NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18347 | 2dlg | 10324 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -17.371 -2.557 11.558 2 HA2 GLY 1 1HA GLY 1 -16.034 -4.116 9.475 3 HA3 GLY 1 2HA GLY 1 -17.648 -4.401 10.111 4 H SER 2 H SER 2 -16.899 -4.314 7.349 5 HA SER 2 HA SER 2 -17.688 -1.794 6.242 6 HB2 SER 2 1HB SER 2 -17.486 -2.864 4.097 7 HB3 SER 2 2HB SER 2 -16.160 -3.441 5.106 8 HG SER 2 HG SER 2 -17.417 -5.059 3.863 9 H SER 3 H SER 3 -19.514 -1.720 4.601 10 HA SER 3 HA SER 3 -21.932 -2.631 5.934 11 HB2 SER 3 1HB SER 3 -21.629 -0.850 3.504 12 HB3 SER 3 2HB SER 3 -23.106 -1.109 4.431 13 HG SER 3 HG SER 3 -22.455 0.379 5.746 14 H GLY 4 H GLY 4 -20.381 -4.668 4.716 15 HA2 GLY 4 1HA GLY 4 -21.517 -6.612 3.744 16 HA3 GLY 4 2HA GLY 4 -22.242 -5.511 2.582 17 H SER 5 H SER 5 -21.450 -5.975 0.641 18 HA SER 5 HA SER 5 -18.551 -5.956 0.284 19 HB2 SER 5 1HB SER 5 -18.493 -7.991 -0.974 20 HB3 SER 5 2HB SER 5 -19.335 -8.350 0.533 21 HG SER 5 HG SER 5 -20.648 -7.689 -1.893 22 H SER 6 H SER 6 -17.869 -5.355 -1.793 23 HA SER 6 HA SER 6 -19.892 -3.894 -3.305 24 HB2 SER 6 1HB SER 6 -17.656 -3.193 -4.563 25 HB3 SER 6 2HB SER 6 -18.117 -2.455 -3.029 26 HG SER 6 HG SER 6 -16.247 -4.536 -3.471 27 H GLY 7 H GLY 7 -20.665 -6.183 -3.918 28 HA2 GLY 7 1HA GLY 7 -20.883 -7.841 -5.496 29 HA3 GLY 7 2HA GLY 7 -20.335 -6.603 -6.616 30 H ARG 8 H ARG 8 -18.391 -6.821 -7.564 31 HA ARG 8 HA ARG 8 -16.506 -8.779 -6.454 32 HB2 ARG 8 1HB ARG 8 -16.070 -9.432 -8.920 33 HB3 ARG 8 2HB ARG 8 -17.476 -10.104 -8.105 34 HG2 ARG 8 1HG ARG 8 -17.816 -7.579 -9.629 35 HG3 ARG 8 2HG ARG 8 -17.631 -9.086 -10.528 36 HD2 ARG 8 1HD ARG 8 -19.667 -8.596 -8.357 37 HD3 ARG 8 2HD ARG 8 -19.992 -8.510 -10.088 38 HE ARG 8 HE ARG 8 -18.860 -11.017 -9.353 39 HH11 ARG 8 1HH1 ARG 8 -21.820 -9.184 -9.353 40 HH12 ARG 8 2HH1 ARG 8 -22.840 -10.584 -9.384 41 HH21 ARG 8 1HH2 ARG 8 -20.192 -12.868 -9.394 42 HH22 ARG 8 2HH2 ARG 8 -21.913 -12.679 -9.407 43 H ALA 9 H ALA 9 -14.312 -8.544 -7.280 44 HA ALA 9 HA ALA 9 -13.578 -6.255 -8.824 45 HB1 ALA 9 1HB ALA 9 -13.713 -4.792 -7.117 46 HB2 ALA 9 2HB ALA 9 -13.621 -6.054 -5.887 47 HB3 ALA 9 3HB ALA 9 -12.151 -5.480 -6.673 48 HA PRO 10 HA PRO 10 -10.062 -8.828 -9.446 49 HB2 PRO 10 1HB PRO 10 -8.343 -6.986 -10.457 50 HB3 PRO 10 2HB PRO 10 -9.711 -7.628 -11.374 51 HG2 PRO 10 1HG PRO 10 -9.479 -5.045 -9.880 52 HG3 PRO 10 2HG PRO 10 -10.188 -5.355 -11.476 53 HD2 PRO 10 1HD PRO 10 -11.693 -5.074 -9.242 54 HD3 PRO 10 2HD PRO 10 -12.165 -6.135 -10.585 55 H SER 11 H SER 11 -7.553 -8.641 -9.098 56 HA SER 11 HA SER 11 -7.191 -8.074 -6.278 57 HB2 SER 11 1HB SER 11 -5.150 -9.313 -6.449 58 HB3 SER 11 2HB SER 11 -6.351 -10.179 -7.406 59 HG SER 11 HG SER 11 -5.464 -9.164 -9.266 60 H VAL 12 H VAL 12 -6.743 -6.044 -5.725 61 HA VAL 12 HA VAL 12 -5.533 -4.146 -7.453 62 HB VAL 12 HB VAL 12 -5.403 -2.699 -5.441 63 HG11 VAL 12 1HG1 VAL 12 -7.936 -2.832 -4.942 64 HG12 VAL 12 2HG1 VAL 12 -7.411 -2.473 -6.588 65 HG13 VAL 12 3HG1 VAL 12 -7.948 -4.100 -6.167 66 HG21 VAL 12 1HG2 VAL 12 -4.989 -4.675 -3.891 67 HG22 VAL 12 2HG2 VAL 12 -6.084 -3.422 -3.306 68 HG23 VAL 12 3HG2 VAL 12 -6.733 -4.936 -3.936 69 H ALA 13 H ALA 13 -4.304 -6.354 -5.046 70 HA ALA 13 HA ALA 13 -1.578 -5.416 -5.654 71 HB1 ALA 13 1HB ALA 13 -2.720 -6.215 -2.989 72 HB2 ALA 13 2HB ALA 13 -0.987 -6.139 -3.306 73 HB3 ALA 13 3HB ALA 13 -1.973 -4.683 -3.442 74 H THR 14 H THR 14 0.097 -7.090 -5.266 75 HA THR 14 HA THR 14 -0.950 -9.780 -5.867 76 HB THR 14 HB THR 14 1.718 -8.691 -6.770 77 HG1 THR 14 1HG THR 14 0.530 -8.731 -8.879 78 HG21 THR 14 1HG2 THR 14 1.606 -10.622 -8.334 79 HG22 THR 14 2HG2 THR 14 0.144 -11.160 -7.505 80 HG23 THR 14 3HG2 THR 14 1.678 -11.099 -6.638 81 H VAL 15 H VAL 15 0.159 -11.573 -5.002 82 HA VAL 15 HA VAL 15 1.377 -11.051 -2.433 83 HB VAL 15 HB VAL 15 -0.232 -12.861 -2.596 84 HG11 VAL 15 1HG1 VAL 15 1.135 -13.437 -5.010 85 HG12 VAL 15 2HG1 VAL 15 1.262 -14.855 -3.967 86 HG13 VAL 15 3HG1 VAL 15 -0.323 -14.192 -4.368 87 HG21 VAL 15 1HG2 VAL 15 1.071 -13.494 -0.869 88 HG22 VAL 15 2HG2 VAL 15 1.566 -14.780 -1.970 89 HG23 VAL 15 3HG2 VAL 15 2.562 -13.335 -1.797 90 H GLY 16 H GLY 16 3.482 -11.224 -1.908 91 HA2 GLY 16 1HA GLY 16 5.719 -11.827 -2.086 92 HA3 GLY 16 2HA GLY 16 5.339 -12.686 -3.571 93 H SER 17 H SER 17 4.165 -10.581 -5.014 94 HA SER 17 HA SER 17 6.522 -9.277 -5.965 95 HB2 SER 17 1HB SER 17 3.643 -9.335 -6.755 96 HB3 SER 17 2HB SER 17 4.644 -8.013 -7.354 97 HG SER 17 HG SER 17 4.533 -10.000 -8.672 98 H ILE 18 H ILE 18 7.163 -7.180 -5.761 99 HA ILE 18 HA ILE 18 6.579 -5.756 -3.463 100 HB ILE 18 HB ILE 18 7.553 -4.569 -6.063 101 HG12 ILE 18 1HG1 ILE 18 8.918 -6.494 -5.399 102 HG13 ILE 18 2HG1 ILE 18 9.813 -4.993 -5.191 103 HG21 ILE 18 1HG2 ILE 18 8.799 -3.226 -4.054 104 HG22 ILE 18 2HG2 ILE 18 7.342 -2.677 -4.879 105 HG23 ILE 18 3HG2 ILE 18 7.215 -3.534 -3.343 106 HD11 ILE 18 1HD1 ILE 18 9.463 -5.055 -2.820 107 HD12 ILE 18 2HD1 ILE 18 8.406 -6.458 -2.974 108 HD13 ILE 18 3HD1 ILE 18 10.123 -6.603 -3.347 109 H CYS 19 H CYS 19 4.892 -4.592 -2.834 110 HA CYS 19 HA CYS 19 2.904 -3.791 -4.830 111 HB2 CYS 19 1HB CYS 19 2.371 -5.154 -2.684 112 HB3 CYS 19 2HB CYS 19 2.513 -3.607 -1.857 113 HG CYS 19 HG CYS 19 0.531 -2.458 -3.672 114 H ASP 20 H ASP 20 3.020 -1.787 -5.569 115 HA ASP 20 HA ASP 20 4.200 0.299 -3.876 116 HB2 ASP 20 1HB ASP 20 3.783 0.065 -6.851 117 HB3 ASP 20 2HB ASP 20 4.182 1.602 -6.088 118 H LEU 21 H LEU 21 3.040 1.971 -3.125 119 HA LEU 21 HA LEU 21 0.188 2.048 -3.809 120 HB2 LEU 21 1HB LEU 21 1.141 1.817 -1.399 121 HB3 LEU 21 2HB LEU 21 1.414 3.552 -1.535 122 HG LEU 21 HG LEU 21 -1.041 3.800 -2.014 123 HD11 LEU 21 1HD1 LEU 21 -2.380 2.042 -2.224 124 HD12 LEU 21 2HD1 LEU 21 -1.785 1.327 -0.726 125 HD13 LEU 21 3HD1 LEU 21 -0.936 1.030 -2.243 126 HD21 LEU 21 1HD2 LEU 21 -1.700 3.426 0.369 127 HD22 LEU 21 2HD2 LEU 21 -0.220 4.361 0.155 128 HD23 LEU 21 3HD2 LEU 21 -0.131 2.662 0.623 129 H ASN 22 H ASN 22 -0.331 3.483 -5.317 130 HA ASN 22 HA ASN 22 1.316 5.783 -5.855 131 HB2 ASN 22 1HB ASN 22 -0.790 6.225 -7.432 132 HB3 ASN 22 2HB ASN 22 0.452 5.046 -7.844 133 HD21 ASN 22 1HD2 ASN 22 0.037 2.812 -7.312 134 HD22 ASN 22 2HD2 ASN 22 -1.590 2.230 -7.301 135 H LEU 23 H LEU 23 1.233 7.347 -4.344 136 HA LEU 23 HA LEU 23 -1.427 8.398 -3.634 137 HB2 LEU 23 1HB LEU 23 1.050 8.145 -1.948 138 HB3 LEU 23 2HB LEU 23 -0.298 9.194 -1.512 139 HG LEU 23 HG LEU 23 -0.610 6.230 -1.936 140 HD11 LEU 23 1HD1 LEU 23 0.847 6.205 -0.154 141 HD12 LEU 23 2HD1 LEU 23 -0.712 6.316 0.664 142 HD13 LEU 23 3HD1 LEU 23 0.285 7.757 0.468 143 HD21 LEU 23 1HD2 LEU 23 -2.314 8.452 -0.901 144 HD22 LEU 23 2HD2 LEU 23 -2.548 6.815 -0.287 145 HD23 LEU 23 3HD2 LEU 23 -2.722 7.144 -2.012 146 H LYS 24 H LYS 24 -1.784 10.476 -4.088 147 HA LYS 24 HA LYS 24 0.534 12.209 -4.633 148 HB2 LYS 24 1HB LYS 24 -0.914 13.315 -6.386 149 HB3 LYS 24 2HB LYS 24 -0.352 11.694 -6.776 150 HG2 LYS 24 1HG LYS 24 -2.570 10.841 -5.962 151 HG3 LYS 24 2HG LYS 24 -3.098 12.523 -5.879 152 HD2 LYS 24 1HD LYS 24 -3.831 11.764 -7.977 153 HD3 LYS 24 2HD LYS 24 -2.371 12.694 -8.320 154 HE2 LYS 24 1HE LYS 24 -1.081 10.730 -8.614 155 HE3 LYS 24 2HE LYS 24 -2.348 9.711 -7.932 156 HZ1 LYS 24 1HZ LYS 24 -2.325 9.495 -10.309 157 HZ2 LYS 24 2HZ LYS 24 -2.460 11.168 -10.516 158 HZ3 LYS 24 3HZ LYS 24 -3.745 10.292 -9.850 159 H ILE 25 H ILE 25 0.462 13.274 -2.681 160 HA ILE 25 HA ILE 25 -1.895 14.986 -2.273 161 HB ILE 25 HB ILE 25 -0.324 13.928 0.055 162 HG12 ILE 25 1HG1 ILE 25 -2.884 12.686 -0.949 163 HG13 ILE 25 2HG1 ILE 25 -1.298 12.052 -1.375 164 HG21 ILE 25 1HG2 ILE 25 -3.108 14.372 0.521 165 HG22 ILE 25 2HG2 ILE 25 -1.717 15.190 1.232 166 HG23 ILE 25 3HG2 ILE 25 -2.415 15.785 -0.274 167 HD11 ILE 25 1HD1 ILE 25 -1.148 10.969 0.547 168 HD12 ILE 25 2HD1 ILE 25 -1.521 12.427 1.468 169 HD13 ILE 25 3HD1 ILE 25 -2.826 11.414 0.853 170 HA PRO 26 HA PRO 26 1.710 17.754 -2.594 171 HB2 PRO 26 1HB PRO 26 0.257 19.876 -3.463 172 HB3 PRO 26 2HB PRO 26 0.821 18.592 -4.540 173 HG2 PRO 26 1HG PRO 26 -1.876 18.973 -3.297 174 HG3 PRO 26 2HG PRO 26 -1.465 18.493 -4.954 175 HD2 PRO 26 1HD PRO 26 -2.224 16.708 -3.065 176 HD3 PRO 26 2HD PRO 26 -1.075 16.302 -4.356 177 H GLU 27 H GLU 27 -1.245 17.893 -0.818 178 HA GLU 27 HA GLU 27 -0.741 20.326 0.580 179 HB2 GLU 27 1HB GLU 27 -2.589 18.000 1.077 180 HB3 GLU 27 2HB GLU 27 -2.479 19.355 2.192 181 HG2 GLU 27 1HG GLU 27 -2.882 20.736 -0.028 182 HG3 GLU 27 2HG GLU 27 -3.633 19.224 -0.534 183 H ILE 28 H ILE 28 0.781 17.380 0.689 184 HA ILE 28 HA ILE 28 1.927 18.001 3.313 185 HB ILE 28 HB ILE 28 0.968 15.259 2.490 186 HG12 ILE 28 1HG1 ILE 28 0.165 16.756 4.967 187 HG13 ILE 28 2HG1 ILE 28 -0.651 17.065 3.439 188 HG21 ILE 28 1HG2 ILE 28 3.036 14.969 3.618 189 HG22 ILE 28 2HG2 ILE 28 2.610 16.164 4.843 190 HG23 ILE 28 3HG2 ILE 28 1.764 14.618 4.789 191 HD11 ILE 28 1HD1 ILE 28 -1.827 15.441 4.863 192 HD12 ILE 28 2HD1 ILE 28 -1.352 14.768 3.303 193 HD13 ILE 28 3HD1 ILE 28 -0.432 14.368 4.753 194 H ASN 29 H ASN 29 4.020 17.008 3.679 195 HA ASN 29 HA ASN 29 5.450 16.553 1.149 196 HB2 ASN 29 1HB ASN 29 6.239 17.791 3.760 197 HB3 ASN 29 2HB ASN 29 7.479 17.060 2.744 198 HD21 ASN 29 1HD2 ASN 29 8.235 18.160 1.046 199 HD22 ASN 29 2HD2 ASN 29 7.633 19.690 0.514 200 H SER 30 H SER 30 7.047 14.917 1.031 201 HA SER 30 HA SER 30 6.323 12.499 2.334 202 HB2 SER 30 1HB SER 30 8.233 11.521 1.125 203 HB3 SER 30 2HB SER 30 7.248 12.522 0.059 204 HG SER 30 HG SER 30 9.790 13.053 1.149 205 H SER 31 H SER 31 8.267 15.085 3.279 206 HA SER 31 HA SER 31 10.082 13.532 4.919 207 HB2 SER 31 1HB SER 31 9.661 16.522 4.695 208 HB3 SER 31 2HB SER 31 10.928 15.751 5.649 209 HG SER 31 HG SER 31 12.030 15.400 3.890 210 H ASP 32 H ASP 32 6.931 14.593 5.185 211 HA ASP 32 HA ASP 32 7.048 14.394 8.121 212 HB2 ASP 32 1HB ASP 32 5.645 16.401 6.404 213 HB3 ASP 32 2HB ASP 32 4.907 15.923 7.930 214 H MET 33 H MET 33 6.442 12.478 5.868 215 HA MET 33 HA MET 33 3.673 11.790 6.576 216 HB2 MET 33 1HB MET 33 5.369 11.280 4.169 217 HB3 MET 33 2HB MET 33 4.087 10.141 4.559 218 HG2 MET 33 1HG MET 33 2.455 11.959 4.496 219 HG3 MET 33 2HG MET 33 3.742 13.094 4.094 220 HE1 MET 33 1HE MET 33 3.995 9.460 2.396 221 HE2 MET 33 2HE MET 33 2.413 9.637 3.154 222 HE3 MET 33 3HE MET 33 2.546 9.569 1.396 223 H SER 34 H SER 34 3.202 9.437 6.757 224 HA SER 34 HA SER 34 5.426 7.752 7.563 225 HB2 SER 34 1HB SER 34 4.742 7.388 9.791 226 HB3 SER 34 2HB SER 34 4.632 9.136 9.583 227 HG SER 34 HG SER 34 2.769 7.829 10.545 228 H ALA 35 H ALA 35 5.039 5.628 7.217 229 HA ALA 35 HA ALA 35 2.276 4.766 6.728 230 HB1 ALA 35 1HB ALA 35 4.544 4.026 4.891 231 HB2 ALA 35 2HB ALA 35 2.827 3.677 4.684 232 HB3 ALA 35 3HB ALA 35 3.410 5.337 4.567 233 H HIS 36 H HIS 36 1.848 2.609 7.181 234 HA HIS 36 HA HIS 36 4.006 0.855 8.005 235 HB2 HIS 36 1HB HIS 36 1.847 1.717 9.941 236 HB3 HIS 36 2HB HIS 36 3.004 0.421 10.229 237 HD1 HIS 36 1HD HIS 36 2.753 4.156 10.013 238 HD2 HIS 36 2HD HIS 36 5.552 1.243 10.984 239 HE1 HIS 36 1HE HIS 36 4.676 5.394 11.060 240 HE2 HIS 36 2HE HIS 36 6.393 3.621 11.562 241 H VAL 37 H VAL 37 3.573 -1.105 7.253 242 HA VAL 37 HA VAL 37 0.909 -1.743 6.315 243 HB VAL 37 HB VAL 37 3.511 -3.265 6.167 244 HG11 VAL 37 1HG1 VAL 37 0.816 -4.214 5.862 245 HG12 VAL 37 2HG1 VAL 37 1.684 -4.328 4.330 246 HG13 VAL 37 3HG1 VAL 37 2.333 -5.107 5.773 247 HG21 VAL 37 1HG2 VAL 37 3.248 -1.203 4.773 248 HG22 VAL 37 2HG2 VAL 37 3.512 -2.682 3.850 249 HG23 VAL 37 3HG2 VAL 37 1.893 -1.993 3.966 250 H THR 38 H THR 38 -0.518 -2.408 7.788 251 HA THR 38 HA THR 38 0.345 -4.022 10.055 252 HB THR 38 HB THR 38 -2.419 -2.975 9.419 253 HG1 THR 38 1HG THR 38 -0.761 -1.342 9.805 254 HG21 THR 38 1HG2 THR 38 -1.824 -3.403 12.204 255 HG22 THR 38 2HG2 THR 38 -1.572 -4.887 11.285 256 HG23 THR 38 3HG2 THR 38 -3.132 -4.067 11.227 257 H SER 39 H SER 39 -0.018 -6.149 10.277 258 HA SER 39 HA SER 39 -1.275 -7.546 8.039 259 HB2 SER 39 1HB SER 39 0.486 -8.492 10.306 260 HB3 SER 39 2HB SER 39 -0.279 -9.591 9.158 261 HG SER 39 HG SER 39 1.204 -9.100 7.764 262 HA PRO 40 HA PRO 40 -4.944 -8.591 10.211 263 HB2 PRO 40 1HB PRO 40 -5.507 -11.011 9.118 264 HB3 PRO 40 2HB PRO 40 -5.703 -9.490 8.238 265 HG2 PRO 40 1HG PRO 40 -3.459 -11.469 8.125 266 HG3 PRO 40 2HG PRO 40 -4.261 -10.609 6.797 267 HD2 PRO 40 1HD PRO 40 -1.870 -9.832 7.802 268 HD3 PRO 40 2HD PRO 40 -3.052 -8.679 7.148 269 H SER 41 H SER 41 -2.061 -10.274 10.641 270 HA SER 41 HA SER 41 -3.183 -12.177 12.553 271 HB2 SER 41 1HB SER 41 -1.001 -13.205 12.586 272 HB3 SER 41 2HB SER 41 -1.435 -12.901 10.904 273 HG SER 41 HG SER 41 0.418 -11.535 12.532 274 H GLY 42 H GLY 42 -1.763 -9.087 12.466 275 HA2 GLY 42 1HA GLY 42 -1.934 -7.768 14.512 276 HA3 GLY 42 2HA GLY 42 -1.388 -9.188 15.393 277 H ARG 43 H ARG 43 0.138 -8.474 12.386 278 HA ARG 43 HA ARG 43 2.479 -7.432 13.843 279 HB2 ARG 43 1HB ARG 43 2.869 -9.706 13.029 280 HB3 ARG 43 2HB ARG 43 2.428 -9.213 11.400 281 HG2 ARG 43 1HG ARG 43 4.360 -7.534 11.603 282 HG3 ARG 43 2HG ARG 43 4.875 -8.516 12.976 283 HD2 ARG 43 1HD ARG 43 4.751 -10.510 11.420 284 HD3 ARG 43 2HD ARG 43 4.573 -9.352 10.102 285 HE ARG 43 HE ARG 43 6.867 -8.930 11.812 286 HH11 ARG 43 1HH1 ARG 43 5.622 -10.424 8.925 287 HH12 ARG 43 2HH1 ARG 43 7.176 -10.571 8.173 288 HH21 ARG 43 1HH2 ARG 43 8.919 -9.118 10.834 289 HH22 ARG 43 2HH2 ARG 43 9.051 -9.828 9.261 290 H VAL 44 H VAL 44 2.972 -5.413 13.331 291 HA VAL 44 HA VAL 44 2.325 -4.445 10.622 292 HB VAL 44 HB VAL 44 0.850 -3.328 12.132 293 HG11 VAL 44 1HG1 VAL 44 2.169 -3.833 14.185 294 HG12 VAL 44 2HG1 VAL 44 3.242 -2.495 13.767 295 HG13 VAL 44 3HG1 VAL 44 1.541 -2.187 14.121 296 HG21 VAL 44 1HG2 VAL 44 1.221 -1.195 11.431 297 HG22 VAL 44 2HG2 VAL 44 2.923 -1.219 11.893 298 HG23 VAL 44 3HG2 VAL 44 2.400 -2.020 10.411 299 H THR 45 H THR 45 3.866 -3.317 9.531 300 HA THR 45 HA THR 45 6.429 -2.861 10.914 301 HB THR 45 HB THR 45 7.463 -3.291 8.588 302 HG1 THR 45 1HG THR 45 5.776 -3.546 7.241 303 HG21 THR 45 1HG2 THR 45 7.608 -4.764 10.646 304 HG22 THR 45 2HG2 THR 45 7.817 -5.581 9.097 305 HG23 THR 45 3HG2 THR 45 6.282 -5.701 9.957 306 H GLU 46 H GLU 46 7.881 -1.410 9.425 307 HA GLU 46 HA GLU 46 6.271 0.955 8.804 308 HB2 GLU 46 1HB GLU 46 8.262 0.999 10.414 309 HB3 GLU 46 2HB GLU 46 9.275 0.843 8.986 310 HG2 GLU 46 1HG GLU 46 8.599 2.929 8.146 311 HG3 GLU 46 2HG GLU 46 7.243 3.030 9.268 312 H ALA 47 H ALA 47 5.948 1.611 6.783 313 HA ALA 47 HA ALA 47 7.233 0.178 4.607 314 HB1 ALA 47 1HB ALA 47 5.634 1.656 3.229 315 HB2 ALA 47 2HB ALA 47 4.947 0.385 4.240 316 HB3 ALA 47 3HB ALA 47 4.911 2.061 4.786 317 H GLU 48 H GLU 48 8.175 1.293 2.779 318 HA GLU 48 HA GLU 48 9.635 3.696 3.627 319 HB2 GLU 48 1HB GLU 48 11.069 1.848 3.016 320 HB3 GLU 48 2HB GLU 48 10.235 1.657 1.480 321 HG2 GLU 48 1HG GLU 48 11.013 3.938 0.854 322 HG3 GLU 48 2HG GLU 48 11.977 3.956 2.329 323 H ILE 49 H ILE 49 9.533 5.576 2.510 324 HA ILE 49 HA ILE 49 7.595 5.684 0.301 325 HB ILE 49 HB ILE 49 8.548 7.886 2.136 326 HG12 ILE 49 1HG1 ILE 49 5.745 6.818 1.895 327 HG13 ILE 49 2HG1 ILE 49 6.914 6.062 2.971 328 HG21 ILE 49 1HG2 ILE 49 6.493 9.026 0.966 329 HG22 ILE 49 2HG2 ILE 49 8.090 9.059 0.221 330 HG23 ILE 49 3HG2 ILE 49 6.883 7.899 -0.333 331 HD11 ILE 49 1HD1 ILE 49 5.286 8.327 3.436 332 HD12 ILE 49 2HD1 ILE 49 6.442 7.557 4.523 333 HD13 ILE 49 3HD1 ILE 49 6.969 8.852 3.448 334 H VAL 50 H VAL 50 8.696 5.459 -1.561 335 HA VAL 50 HA VAL 50 11.273 6.759 -1.922 336 HB VAL 50 HB VAL 50 9.680 5.006 -3.797 337 HG11 VAL 50 1HG1 VAL 50 11.446 5.061 -5.309 338 HG12 VAL 50 2HG1 VAL 50 11.321 6.740 -4.779 339 HG13 VAL 50 3HG1 VAL 50 12.578 5.694 -4.115 340 HG21 VAL 50 1HG2 VAL 50 10.832 3.206 -3.028 341 HG22 VAL 50 2HG2 VAL 50 12.265 4.153 -2.628 342 HG23 VAL 50 3HG2 VAL 50 10.866 4.176 -1.555 343 HA PRO 51 HA PRO 51 9.600 10.348 -3.868 344 HB2 PRO 51 1HB PRO 51 11.848 11.183 -5.140 345 HB3 PRO 51 2HB PRO 51 11.614 11.347 -3.396 346 HG2 PRO 51 1HG PRO 51 13.148 9.273 -4.914 347 HG3 PRO 51 2HG PRO 51 13.594 10.128 -3.426 348 HD2 PRO 51 1HD PRO 51 12.612 7.605 -3.418 349 HD3 PRO 51 2HD PRO 51 12.303 8.755 -2.100 350 H MET 52 H MET 52 8.144 9.655 -5.400 351 HA MET 52 HA MET 52 9.013 8.395 -7.841 352 HB2 MET 52 1HB MET 52 6.388 9.192 -6.665 353 HB3 MET 52 2HB MET 52 6.479 8.910 -8.398 354 HG2 MET 52 1HG MET 52 7.504 6.890 -6.443 355 HG3 MET 52 2HG MET 52 5.796 6.971 -6.870 356 HE1 MET 52 1HE MET 52 5.696 4.562 -9.636 357 HE2 MET 52 2HE MET 52 5.482 4.693 -7.890 358 HE3 MET 52 3HE MET 52 4.781 5.910 -8.958 359 H GLY 53 H GLY 53 7.856 11.585 -6.852 360 HA2 GLY 53 1HA GLY 53 9.284 13.052 -8.692 361 HA3 GLY 53 2HA GLY 53 7.776 12.653 -9.502 362 H LYS 54 H LYS 54 6.213 14.100 -9.308 363 HA LYS 54 HA LYS 54 6.463 16.248 -7.390 364 HB2 LYS 54 1HB LYS 54 4.598 15.668 -9.674 365 HB3 LYS 54 2HB LYS 54 4.248 16.960 -8.534 366 HG2 LYS 54 1HG LYS 54 5.337 17.993 -10.330 367 HG3 LYS 54 2HG LYS 54 6.560 17.858 -9.064 368 HD2 LYS 54 1HD LYS 54 7.762 16.282 -10.202 369 HD3 LYS 54 2HD LYS 54 6.341 15.638 -11.028 370 HE2 LYS 54 1HE LYS 54 6.272 17.651 -12.437 371 HE3 LYS 54 2HE LYS 54 7.717 18.255 -11.627 372 HZ1 LYS 54 1HZ LYS 54 8.993 16.476 -12.503 373 HZ2 LYS 54 2HZ LYS 54 8.125 17.135 -13.796 374 HZ3 LYS 54 3HZ LYS 54 7.623 15.679 -13.094 375 H ASN 55 H ASN 55 5.703 16.090 -5.394 376 HA ASN 55 HA ASN 55 4.595 15.177 -3.588 377 HB2 ASN 55 1HB ASN 55 2.012 15.530 -3.991 378 HB3 ASN 55 2HB ASN 55 3.096 16.911 -3.850 379 HD21 ASN 55 1HD2 ASN 55 3.903 17.837 -5.865 380 HD22 ASN 55 2HD2 ASN 55 2.876 17.822 -7.255 381 H SER 56 H SER 56 5.370 13.141 -5.402 382 HA SER 56 HA SER 56 3.084 11.289 -5.251 383 HB2 SER 56 1HB SER 56 5.507 11.229 -7.065 384 HB3 SER 56 2HB SER 56 4.273 9.971 -7.001 385 HG SER 56 HG SER 56 2.824 11.323 -7.890 386 H HIS 57 H HIS 57 3.195 9.714 -3.804 387 HA HIS 57 HA HIS 57 5.838 8.983 -2.725 388 HB2 HIS 57 1HB HIS 57 3.239 8.547 -1.273 389 HB3 HIS 57 2HB HIS 57 4.870 8.606 -0.612 390 HD1 HIS 57 1HD HIS 57 6.013 11.080 -0.719 391 HD2 HIS 57 2HD HIS 57 1.879 10.890 -1.093 392 HE1 HIS 57 1HE HIS 57 5.186 13.405 -0.235 393 HE2 HIS 57 2HE HIS 57 2.677 13.246 -0.384 394 H CYS 58 H CYS 58 6.493 6.931 -2.901 395 HA CYS 58 HA CYS 58 4.547 4.958 -3.895 396 HB2 CYS 58 1HB CYS 58 6.258 5.369 -5.538 397 HB3 CYS 58 2HB CYS 58 7.528 5.167 -4.337 398 HG CYS 58 HG CYS 58 7.459 2.500 -4.182 399 H VAL 59 H VAL 59 3.851 3.890 -2.129 400 HA VAL 59 HA VAL 59 5.654 3.192 0.021 401 HB VAL 59 HB VAL 59 2.758 2.431 -0.388 402 HG11 VAL 59 1HG1 VAL 59 2.791 1.344 1.578 403 HG12 VAL 59 2HG1 VAL 59 4.528 1.229 1.284 404 HG13 VAL 59 3HG1 VAL 59 3.890 2.507 2.319 405 HG21 VAL 59 1HG2 VAL 59 2.177 4.446 0.351 406 HG22 VAL 59 2HG2 VAL 59 3.271 4.316 1.728 407 HG23 VAL 59 3HG2 VAL 59 3.864 4.933 0.186 408 H ARG 60 H ARG 60 7.129 1.719 -0.736 409 HA ARG 60 HA ARG 60 6.243 -0.641 -2.166 410 HB2 ARG 60 1HB ARG 60 8.292 0.070 -2.985 411 HB3 ARG 60 2HB ARG 60 8.894 0.507 -1.392 412 HG2 ARG 60 1HG ARG 60 9.381 -1.717 -0.841 413 HG3 ARG 60 2HG ARG 60 8.398 -2.347 -2.165 414 HD2 ARG 60 1HD ARG 60 9.968 -1.607 -3.790 415 HD3 ARG 60 2HD ARG 60 10.858 -0.667 -2.593 416 HE ARG 60 HE ARG 60 11.024 -3.199 -1.649 417 HH11 ARG 60 1HH1 ARG 60 11.724 -1.734 -4.729 418 HH12 ARG 60 2HH1 ARG 60 12.985 -2.856 -5.122 419 HH21 ARG 60 1HH2 ARG 60 12.681 -4.681 -2.156 420 HH22 ARG 60 2HH2 ARG 60 13.528 -4.532 -3.659 421 H PHE 61 H PHE 61 5.665 -2.482 -1.231 422 HA PHE 61 HA PHE 61 6.926 -3.404 1.194 423 HB2 PHE 61 1HB PHE 61 4.886 -3.586 2.509 424 HB3 PHE 61 2HB PHE 61 5.155 -1.906 2.059 425 HD1 PHE 61 1HD PHE 61 3.288 -4.946 1.012 426 HD2 PHE 61 2HD PHE 61 3.460 -0.693 1.055 427 HE1 PHE 61 1HE PHE 61 1.026 -4.849 0.049 428 HE2 PHE 61 2HE PHE 61 1.197 -0.589 0.093 429 HZ PHE 61 HZ PHE 61 -0.023 -2.668 -0.410 430 H VAL 62 H VAL 62 6.501 -5.611 1.648 431 HA VAL 62 HA VAL 62 5.464 -7.073 -0.679 432 HB VAL 62 HB VAL 62 7.223 -8.071 1.567 433 HG11 VAL 62 1HG1 VAL 62 7.583 -9.985 -0.045 434 HG12 VAL 62 2HG1 VAL 62 5.997 -9.910 0.725 435 HG13 VAL 62 3HG1 VAL 62 6.196 -9.372 -0.943 436 HG21 VAL 62 1HG2 VAL 62 8.808 -6.926 0.468 437 HG22 VAL 62 2HG2 VAL 62 8.696 -8.218 -0.727 438 HG23 VAL 62 3HG2 VAL 62 7.801 -6.718 -0.964 439 HA PRO 63 HA PRO 63 1.975 -7.871 2.076 440 HB2 PRO 63 1HB PRO 63 0.358 -8.804 0.105 441 HB3 PRO 63 2HB PRO 63 0.611 -7.081 0.404 442 HG2 PRO 63 1HG PRO 63 1.879 -8.854 -1.648 443 HG3 PRO 63 2HG PRO 63 1.254 -7.204 -1.827 444 HD2 PRO 63 1HD PRO 63 3.893 -7.739 -1.544 445 HD3 PRO 63 2HD PRO 63 3.148 -6.253 -0.921 446 H GLN 64 H GLN 64 0.398 -9.918 1.985 447 HA GLN 64 HA GLN 64 2.131 -12.293 1.793 448 HB2 GLN 64 1HB GLN 64 -0.050 -11.645 3.777 449 HB3 GLN 64 2HB GLN 64 0.667 -13.242 3.614 450 HG2 GLN 64 1HG GLN 64 2.105 -10.712 4.381 451 HG3 GLN 64 2HG GLN 64 1.667 -12.038 5.457 452 HE21 GLN 64 1HE2 GLN 64 3.763 -11.008 2.876 453 HE22 GLN 64 2HE2 GLN 64 4.921 -12.280 3.039 454 H GLU 65 H GLU 65 0.764 -14.373 1.691 455 HA GLU 65 HA GLU 65 -0.971 -14.116 -0.606 456 HB2 GLU 65 1HB GLU 65 -1.076 -16.723 -0.153 457 HB3 GLU 65 2HB GLU 65 0.328 -15.977 -0.903 458 HG2 GLU 65 1HG GLU 65 1.636 -16.233 0.959 459 HG3 GLU 65 2HG GLU 65 0.258 -16.254 2.058 460 H MET 66 H MET 66 -3.125 -14.118 -0.595 461 HA MET 66 HA MET 66 -5.262 -14.055 0.190 462 HB2 MET 66 1HB MET 66 -4.638 -16.333 2.026 463 HB3 MET 66 2HB MET 66 -6.069 -16.056 1.041 464 HG2 MET 66 1HG MET 66 -3.356 -16.834 -0.005 465 HG3 MET 66 2HG MET 66 -4.719 -17.927 0.229 466 HE1 MET 66 1HE MET 66 -3.429 -15.183 -2.803 467 HE2 MET 66 2HE MET 66 -2.669 -16.476 -1.876 468 HE3 MET 66 3HE MET 66 -3.464 -16.839 -3.409 469 H GLY 67 H GLY 67 -3.366 -12.410 1.579 470 HA2 GLY 67 1HA GLY 67 -4.644 -12.351 4.243 471 HA3 GLY 67 2HA GLY 67 -2.939 -11.991 4.016 472 H VAL 68 H VAL 68 -5.725 -10.556 4.688 473 HA VAL 68 HA VAL 68 -5.467 -8.263 2.914 474 HB VAL 68 HB VAL 68 -7.384 -8.587 5.221 475 HG11 VAL 68 1HG1 VAL 68 -8.634 -7.078 3.354 476 HG12 VAL 68 2HG1 VAL 68 -7.698 -6.420 4.697 477 HG13 VAL 68 3HG1 VAL 68 -6.958 -6.591 3.104 478 HG21 VAL 68 1HG2 VAL 68 -7.797 -10.451 3.815 479 HG22 VAL 68 2HG2 VAL 68 -9.024 -9.247 3.421 480 HG23 VAL 68 3HG2 VAL 68 -7.637 -9.475 2.355 481 H HIS 69 H HIS 69 -4.079 -6.700 3.378 482 HA HIS 69 HA HIS 69 -3.409 -6.186 6.197 483 HB2 HIS 69 1HB HIS 69 -1.821 -5.251 3.810 484 HB3 HIS 69 2HB HIS 69 -1.298 -5.361 5.488 485 HD1 HIS 69 1HD HIS 69 -2.591 -7.833 2.886 486 HD2 HIS 69 2HD HIS 69 0.302 -7.495 5.849 487 HE1 HIS 69 1HE HIS 69 -1.317 -10.001 2.832 488 HE2 HIS 69 2HE HIS 69 0.372 -9.807 4.690 489 H THR 70 H THR 70 -3.042 -3.943 6.822 490 HA THR 70 HA THR 70 -4.694 -2.061 5.266 491 HB THR 70 HB THR 70 -4.403 -1.821 8.242 492 HG1 THR 70 1HG THR 70 -5.537 -3.586 8.465 493 HG21 THR 70 1HG2 THR 70 -5.555 -0.216 6.361 494 HG22 THR 70 2HG2 THR 70 -6.003 -0.246 8.067 495 HG23 THR 70 3HG2 THR 70 -6.931 -1.182 6.895 496 H VAL 71 H VAL 71 -3.765 -0.191 4.715 497 HA VAL 71 HA VAL 71 -1.049 0.331 5.633 498 HB VAL 71 HB VAL 71 -2.638 1.810 3.533 499 HG11 VAL 71 1HG1 VAL 71 0.347 1.692 3.900 500 HG12 VAL 71 2HG1 VAL 71 -0.578 2.761 2.844 501 HG13 VAL 71 3HG1 VAL 71 -0.662 2.961 4.594 502 HG21 VAL 71 1HG2 VAL 71 -2.476 -0.394 2.729 503 HG22 VAL 71 2HG2 VAL 71 -1.147 0.472 1.959 504 HG23 VAL 71 3HG2 VAL 71 -0.831 -0.584 3.336 505 H SER 72 H SER 72 -0.904 1.421 7.489 506 HA SER 72 HA SER 72 -2.874 3.459 8.158 507 HB2 SER 72 1HB SER 72 -2.414 2.154 10.037 508 HB3 SER 72 2HB SER 72 -0.692 2.056 9.670 509 HG SER 72 HG SER 72 -1.768 4.577 10.189 510 H VAL 73 H VAL 73 -2.560 5.397 7.278 511 HA VAL 73 HA VAL 73 0.177 6.495 7.268 512 HB VAL 73 HB VAL 73 -2.045 7.177 5.339 513 HG11 VAL 73 1HG1 VAL 73 0.775 8.137 5.673 514 HG12 VAL 73 2HG1 VAL 73 -0.038 8.214 4.109 515 HG13 VAL 73 3HG1 VAL 73 -0.705 9.079 5.494 516 HG21 VAL 73 1HG2 VAL 73 -1.248 5.672 3.858 517 HG22 VAL 73 2HG2 VAL 73 0.425 5.889 4.374 518 HG23 VAL 73 3HG2 VAL 73 -0.661 4.864 5.312 519 H LYS 74 H LYS 74 0.315 7.866 8.926 520 HA LYS 74 HA LYS 74 -1.952 9.667 9.455 521 HB2 LYS 74 1HB LYS 74 0.088 8.381 11.199 522 HB3 LYS 74 2HB LYS 74 -0.464 9.989 11.651 523 HG2 LYS 74 1HG LYS 74 -2.837 8.885 11.273 524 HG3 LYS 74 2HG LYS 74 -1.931 7.412 11.626 525 HD2 LYS 74 1HD LYS 74 -1.257 8.243 13.753 526 HD3 LYS 74 2HD LYS 74 -1.856 9.861 13.380 527 HE2 LYS 74 1HE LYS 74 -3.589 9.097 14.654 528 HE3 LYS 74 2HE LYS 74 -4.133 8.559 13.066 529 HZ1 LYS 74 1HZ LYS 74 -2.782 6.922 15.139 530 HZ2 LYS 74 2HZ LYS 74 -3.085 6.383 13.565 531 HZ3 LYS 74 3HZ LYS 74 -4.375 6.765 14.591 532 H TYR 75 H TYR 75 -1.452 11.876 10.069 533 HA TYR 75 HA TYR 75 1.165 12.856 9.194 534 HB2 TYR 75 1HB TYR 75 -0.063 13.167 7.202 535 HB3 TYR 75 2HB TYR 75 -1.503 13.687 8.071 536 HD1 TYR 75 1HD TYR 75 2.033 14.713 7.458 537 HD2 TYR 75 2HD TYR 75 -1.960 15.954 8.245 538 HE1 TYR 75 1HE TYR 75 2.710 17.059 7.162 539 HE2 TYR 75 2HE TYR 75 -1.294 18.303 7.949 540 HH TYR 75 HH TYR 75 2.031 19.173 7.061 541 H ARG 76 H ARG 76 1.969 14.097 10.738 542 HA ARG 76 HA ARG 76 2.146 15.463 12.550 543 HB2 ARG 76 1HB ARG 76 -0.338 16.659 11.310 544 HB3 ARG 76 2HB ARG 76 0.583 17.405 12.610 545 HG2 ARG 76 1HG ARG 76 2.036 16.653 10.135 546 HG3 ARG 76 2HG ARG 76 0.958 18.050 10.079 547 HD2 ARG 76 1HD ARG 76 3.391 17.617 11.782 548 HD3 ARG 76 2HD ARG 76 3.053 18.931 10.656 549 HE ARG 76 HE ARG 76 2.196 18.727 13.400 550 HH11 ARG 76 1HH1 ARG 76 1.623 20.206 10.300 551 HH12 ARG 76 2HH1 ARG 76 0.794 21.576 10.961 552 HH21 ARG 76 1HH2 ARG 76 1.108 20.527 14.282 553 HH22 ARG 76 2HH2 ARG 76 0.503 21.759 13.226 554 H GLY 77 H GLY 77 0.511 12.978 12.729 555 HA2 GLY 77 1HA GLY 77 -0.405 11.944 14.608 556 HA3 GLY 77 2HA GLY 77 -0.603 13.524 15.351 557 H GLN 78 H GLN 78 -1.776 12.752 12.143 558 HA GLN 78 HA GLN 78 -4.477 12.287 13.070 559 HB2 GLN 78 1HB GLN 78 -3.735 14.773 11.525 560 HB3 GLN 78 2HB GLN 78 -5.383 14.178 11.680 561 HG2 GLN 78 1HG GLN 78 -5.069 14.337 14.180 562 HG3 GLN 78 2HG GLN 78 -3.580 15.218 13.843 563 HE21 GLN 78 1HE2 GLN 78 -7.000 15.345 13.971 564 HE22 GLN 78 2HE2 GLN 78 -7.179 17.014 13.565 565 H HIS 79 H HIS 79 -5.162 10.660 11.862 566 HA HIS 79 HA HIS 79 -3.989 9.617 9.621 567 HB2 HIS 79 1HB HIS 79 -6.786 9.502 10.681 568 HB3 HIS 79 2HB HIS 79 -6.431 8.779 9.115 569 HD1 HIS 79 1HD HIS 79 -4.153 7.106 9.317 570 HD2 HIS 79 2HD HIS 79 -6.531 7.706 12.670 571 HE1 HIS 79 1HE HIS 79 -3.648 5.179 10.852 572 HE2 HIS 79 2HE HIS 79 -5.162 5.518 12.836 573 H VAL 80 H VAL 80 -4.136 9.880 7.433 574 HA VAL 80 HA VAL 80 -5.040 12.453 6.503 575 HB VAL 80 HB VAL 80 -4.075 11.864 4.377 576 HG11 VAL 80 1HG1 VAL 80 -1.870 11.853 5.013 577 HG12 VAL 80 2HG1 VAL 80 -2.643 12.308 6.532 578 HG13 VAL 80 3HG1 VAL 80 -2.124 10.643 6.270 579 HG21 VAL 80 1HG2 VAL 80 -4.931 9.512 4.383 580 HG22 VAL 80 2HG2 VAL 80 -3.268 9.685 3.821 581 HG23 VAL 80 3HG2 VAL 80 -3.591 9.090 5.449 582 H THR 81 H THR 81 -6.383 12.671 4.545 583 HA THR 81 HA THR 81 -8.913 11.582 4.861 584 HB THR 81 HB THR 81 -7.702 12.680 2.316 585 HG1 THR 81 1HG THR 81 -7.860 14.519 3.334 586 HG21 THR 81 1HG2 THR 81 -10.569 12.212 3.133 587 HG22 THR 81 2HG2 THR 81 -9.709 11.482 1.777 588 HG23 THR 81 3HG2 THR 81 -10.084 13.205 1.759 589 H GLY 82 H GLY 82 -9.748 9.645 4.446 590 HA2 GLY 82 1HA GLY 82 -10.213 7.800 3.026 591 HA3 GLY 82 2HA GLY 82 -8.675 8.068 2.219 592 H SER 83 H SER 83 -6.887 8.100 4.260 593 HA SER 83 HA SER 83 -6.483 5.378 4.779 594 HB2 SER 83 1HB SER 83 -4.491 6.499 4.914 595 HB3 SER 83 2HB SER 83 -5.218 7.919 5.665 596 HG SER 83 HG SER 83 -5.320 6.762 7.615 597 HA PRO 84 HA PRO 84 -5.230 4.256 6.447 598 HB2 PRO 84 1HB PRO 84 -6.019 1.789 7.259 599 HB3 PRO 84 2HB PRO 84 -5.262 2.961 8.345 600 HG2 PRO 84 1HG PRO 84 -8.161 2.296 7.999 601 HG3 PRO 84 2HG PRO 84 -7.245 2.566 9.493 602 HD2 PRO 84 1HD PRO 84 -8.831 4.465 8.392 603 HD3 PRO 84 2HD PRO 84 -7.353 4.860 9.293 604 H PHE 85 H PHE 85 -4.880 2.762 4.750 605 HA PHE 85 HA PHE 85 -7.233 2.371 3.032 606 HB2 PHE 85 1HB PHE 85 -4.307 2.355 2.260 607 HB3 PHE 85 2HB PHE 85 -5.677 2.266 1.158 608 HD1 PHE 85 2HD PHE 85 -7.189 4.240 0.928 609 HD2 PHE 85 1HD PHE 85 -3.507 4.418 3.055 610 HE1 PHE 85 2HE PHE 85 -7.219 6.695 0.767 611 HE2 PHE 85 1HE PHE 85 -3.532 6.874 2.899 612 HZ PHE 85 HZ PHE 85 -5.389 8.015 1.752 613 H GLN 86 H GLN 86 -8.065 0.400 3.266 614 HA GLN 86 HA GLN 86 -6.317 -1.865 3.836 615 HB2 GLN 86 1HB GLN 86 -8.633 -1.292 4.957 616 HB3 GLN 86 2HB GLN 86 -9.280 -2.125 3.550 617 HG2 GLN 86 1HG GLN 86 -7.584 -3.985 4.225 618 HG3 GLN 86 2HG GLN 86 -7.645 -3.193 5.799 619 HE21 GLN 86 1HE2 GLN 86 -9.827 -2.862 6.710 620 HE22 GLN 86 2HE2 GLN 86 -11.012 -4.092 6.448 621 H PHE 87 H PHE 87 -5.907 -3.499 2.447 622 HA PHE 87 HA PHE 87 -7.404 -3.663 -0.056 623 HB2 PHE 87 1HB PHE 87 -5.396 -3.692 -1.421 624 HB3 PHE 87 2HB PHE 87 -5.453 -2.196 -0.496 625 HD1 PHE 87 2HD PHE 87 -3.807 -5.463 -0.823 626 HD2 PHE 87 1HD PHE 87 -3.811 -1.696 1.157 627 HE1 PHE 87 2HE PHE 87 -1.558 -5.928 0.058 628 HE2 PHE 87 1HE PHE 87 -1.561 -2.154 2.040 629 HZ PHE 87 HZ PHE 87 -0.431 -4.273 1.492 630 H THR 88 H THR 88 -7.570 -5.702 -0.877 631 HA THR 88 HA THR 88 -6.535 -7.850 0.818 632 HB THR 88 HB THR 88 -8.586 -8.015 -1.398 633 HG1 THR 88 1HG THR 88 -8.925 -7.870 1.431 634 HG21 THR 88 1HG2 THR 88 -7.245 -9.995 0.265 635 HG22 THR 88 2HG2 THR 88 -8.219 -10.215 -1.189 636 HG23 THR 88 3HG2 THR 88 -9.001 -10.081 0.386 637 H VAL 89 H VAL 89 -5.020 -9.255 0.169 638 HA VAL 89 HA VAL 89 -3.812 -8.858 -2.450 639 HB VAL 89 HB VAL 89 -2.859 -10.756 -0.313 640 HG11 VAL 89 1HG1 VAL 89 -0.826 -10.768 -1.431 641 HG12 VAL 89 2HG1 VAL 89 -1.994 -10.740 -2.753 642 HG13 VAL 89 3HG1 VAL 89 -1.166 -9.258 -2.275 643 HG21 VAL 89 1HG2 VAL 89 -1.600 -9.057 0.705 644 HG22 VAL 89 2HG2 VAL 89 -1.896 -7.926 -0.615 645 HG23 VAL 89 3HG2 VAL 89 -3.204 -8.356 0.488 646 H GLY 90 H GLY 90 -3.700 -10.375 -4.054 647 HA2 GLY 90 1HA GLY 90 -5.348 -12.792 -3.644 648 HA3 GLY 90 2HA GLY 90 -5.222 -11.935 -5.173 649 HA PRO 91 HA PRO 91 -2.345 -15.513 -5.444 650 HB2 PRO 91 1HB PRO 91 -2.898 -16.033 -8.050 651 HB3 PRO 91 2HB PRO 91 -3.871 -16.665 -6.717 652 HG2 PRO 91 1HG PRO 91 -4.381 -14.300 -8.481 653 HG3 PRO 91 2HG PRO 91 -5.514 -15.546 -7.924 654 HD2 PRO 91 1HD PRO 91 -5.370 -13.094 -6.785 655 HD3 PRO 91 2HD PRO 91 -5.790 -14.552 -5.863 656 H LEU 92 H LEU 92 -0.292 -15.509 -6.258 657 HA LEU 92 HA LEU 92 0.840 -13.082 -7.112 658 HB2 LEU 92 1HB LEU 92 2.865 -14.165 -7.080 659 HB3 LEU 92 2HB LEU 92 1.910 -15.154 -5.978 660 HG LEU 92 HG LEU 92 2.289 -15.875 -8.874 661 HD11 LEU 92 1HD1 LEU 92 3.992 -17.513 -7.929 662 HD12 LEU 92 2HD1 LEU 92 4.039 -16.470 -6.508 663 HD13 LEU 92 3HD1 LEU 92 4.497 -15.831 -8.087 664 HD21 LEU 92 1HD2 LEU 92 0.533 -17.131 -8.054 665 HD22 LEU 92 2HD2 LEU 92 1.215 -17.221 -6.430 666 HD23 LEU 92 3HD2 LEU 92 1.913 -18.182 -7.734 667 H GLY 93 H GLY 93 -0.517 -15.766 -8.861 668 HA2 GLY 93 1HA GLY 93 -1.328 -15.454 -11.095 669 HA3 GLY 93 2HA GLY 93 -0.035 -14.295 -11.363 670 H GLU 94 H GLU 94 -0.889 -16.796 -12.800 671 HA GLU 94 HA GLU 94 1.341 -18.601 -12.433 672 HB2 GLU 94 1HB GLU 94 -0.796 -19.571 -12.984 673 HB3 GLU 94 2HB GLU 94 -0.935 -18.563 -14.417 674 HG2 GLU 94 1HG GLU 94 0.527 -19.828 -15.626 675 HG3 GLU 94 2HG GLU 94 1.403 -20.379 -14.199 676 H GLY 95 H GLY 95 3.156 -17.357 -12.945 677 HA2 GLY 95 1HA GLY 95 3.319 -16.104 -15.565 678 HA3 GLY 95 2HA GLY 95 4.545 -16.057 -14.307 679 H GLY 96 H GLY 96 4.901 -16.598 -17.136 680 HA2 GLY 96 1HA GLY 96 6.887 -18.275 -17.388 681 HA3 GLY 96 2HA GLY 96 5.597 -19.448 -17.165 682 H SER 97 H SER 97 6.929 -17.007 -19.288 683 HA SER 97 HA SER 97 5.602 -18.305 -21.541 684 HB2 SER 97 1HB SER 97 5.211 -15.458 -20.707 685 HB3 SER 97 2HB SER 97 5.236 -15.844 -22.428 686 HG SER 97 HG SER 97 3.143 -16.055 -21.816 687 H GLY 98 H GLY 98 6.882 -18.472 -23.294 688 HA2 GLY 98 1HA GLY 98 8.755 -16.718 -24.263 689 HA3 GLY 98 2HA GLY 98 9.624 -17.675 -23.072 690 HA PRO 99 HA PRO 99 8.929 -19.891 -27.302 691 HB2 PRO 99 1HB PRO 99 11.032 -18.978 -28.756 692 HB3 PRO 99 2HB PRO 99 9.434 -18.223 -28.799 693 HG2 PRO 99 1HG PRO 99 11.874 -17.408 -27.267 694 HG3 PRO 99 2HG PRO 99 10.729 -16.397 -28.168 695 HD2 PRO 99 1HD PRO 99 10.643 -16.648 -25.473 696 HD3 PRO 99 2HD PRO 99 9.185 -16.399 -26.456 697 H SER 100 H SER 100 10.650 -21.315 -28.403 698 HA SER 100 HA SER 100 12.362 -22.394 -26.286 699 HB2 SER 100 1HB SER 100 10.915 -24.053 -27.196 700 HB3 SER 100 2HB SER 100 11.286 -23.572 -28.851 701 HG SER 100 HG SER 100 13.146 -24.695 -27.023 702 H SER 101 H SER 101 14.127 -21.010 -26.409 703 HA SER 101 HA SER 101 15.526 -20.750 -28.953 704 HB2 SER 101 1HB SER 101 15.149 -18.859 -27.194 705 HB3 SER 101 2HB SER 101 16.515 -19.601 -26.360 706 HG SER 101 HG SER 101 17.830 -19.057 -27.985 707 H GLY 102 H GLY 102 16.508 -21.543 -25.610 708 HA2 GLY 102 1HA GLY 102 18.632 -23.241 -26.739 709 HA3 GLY 102 2HA GLY 102 18.636 -22.549 -25.124 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.087 7.610 7.516 2 HA2 GLY 1 1HA GLY 1 -14.344 9.934 6.201 3 HA3 GLY 1 2HA GLY 1 -12.854 9.308 5.510 4 H SER 2 H SER 2 -13.906 9.248 3.460 5 HA SER 2 HA SER 2 -15.589 6.858 3.142 6 HB2 SER 2 1HB SER 2 -16.929 8.028 1.438 7 HB3 SER 2 2HB SER 2 -17.049 8.828 3.006 8 HG SER 2 HG SER 2 -15.689 9.648 0.686 9 H SER 3 H SER 3 -15.669 6.154 0.798 10 HA SER 3 HA SER 3 -13.168 5.480 -0.121 11 HB2 SER 3 1HB SER 3 -15.768 5.754 -1.638 12 HB3 SER 3 2HB SER 3 -14.311 5.050 -2.340 13 HG SER 3 HG SER 3 -15.340 4.107 0.109 14 H GLY 4 H GLY 4 -11.922 6.155 -1.955 15 HA2 GLY 4 1HA GLY 4 -12.120 8.134 -3.705 16 HA3 GLY 4 2HA GLY 4 -11.903 9.061 -2.228 17 H SER 5 H SER 5 -10.399 6.933 -4.535 18 HA SER 5 HA SER 5 -7.790 7.905 -3.733 19 HB2 SER 5 1HB SER 5 -8.624 5.033 -3.426 20 HB3 SER 5 2HB SER 5 -6.943 5.445 -3.762 21 HG SER 5 HG SER 5 -7.354 5.305 -1.518 22 H SER 6 H SER 6 -6.062 6.903 -5.224 23 HA SER 6 HA SER 6 -7.122 7.034 -7.945 24 HB2 SER 6 1HB SER 6 -4.476 7.581 -6.685 25 HB3 SER 6 2HB SER 6 -4.493 7.069 -8.372 26 HG SER 6 HG SER 6 -4.825 9.138 -8.671 27 H GLY 7 H GLY 7 -7.974 4.904 -8.038 28 HA2 GLY 7 1HA GLY 7 -6.024 2.716 -7.880 29 HA3 GLY 7 2HA GLY 7 -7.772 2.536 -7.927 30 H ARG 8 H ARG 8 -8.846 2.542 -9.899 31 HA ARG 8 HA ARG 8 -9.099 2.004 -12.097 32 HB2 ARG 8 1HB ARG 8 -7.009 4.147 -12.129 33 HB3 ARG 8 2HB ARG 8 -7.438 3.336 -13.629 34 HG2 ARG 8 1HG ARG 8 -8.885 5.084 -13.717 35 HG3 ARG 8 2HG ARG 8 -9.886 3.927 -12.837 36 HD2 ARG 8 1HD ARG 8 -8.916 4.967 -10.717 37 HD3 ARG 8 2HD ARG 8 -8.340 6.267 -11.760 38 HE ARG 8 HE ARG 8 -10.487 7.049 -11.917 39 HH11 ARG 8 1HH1 ARG 8 -10.534 3.818 -10.622 40 HH12 ARG 8 2HH1 ARG 8 -12.221 3.859 -10.232 41 HH21 ARG 8 1HH2 ARG 8 -12.710 7.115 -11.409 42 HH22 ARG 8 2HH2 ARG 8 -13.458 5.734 -10.681 43 H ALA 9 H ALA 9 -7.495 0.223 -10.582 44 HA ALA 9 HA ALA 9 -5.763 -0.828 -12.717 45 HB1 ALA 9 1HB ALA 9 -4.847 -1.639 -10.106 46 HB2 ALA 9 2HB ALA 9 -3.962 -0.856 -11.415 47 HB3 ALA 9 3HB ALA 9 -4.864 0.118 -10.255 48 HA PRO 10 HA PRO 10 -8.167 -4.495 -12.276 49 HB2 PRO 10 1HB PRO 10 -6.454 -6.250 -13.438 50 HB3 PRO 10 2HB PRO 10 -7.390 -5.068 -14.360 51 HG2 PRO 10 1HG PRO 10 -4.534 -4.946 -13.474 52 HG3 PRO 10 2HG PRO 10 -5.240 -4.499 -15.038 53 HD2 PRO 10 1HD PRO 10 -4.605 -2.666 -13.149 54 HD3 PRO 10 2HD PRO 10 -5.968 -2.453 -14.267 55 H SER 11 H SER 11 -5.368 -3.851 -10.573 56 HA SER 11 HA SER 11 -5.889 -6.032 -8.733 57 HB2 SER 11 1HB SER 11 -3.527 -6.766 -8.681 58 HB3 SER 11 2HB SER 11 -4.269 -7.049 -10.256 59 HG SER 11 HG SER 11 -2.852 -4.669 -9.752 60 H VAL 12 H VAL 12 -5.726 -5.327 -6.706 61 HA VAL 12 HA VAL 12 -4.714 -2.660 -6.212 62 HB VAL 12 HB VAL 12 -5.490 -3.116 -3.853 63 HG11 VAL 12 1HG1 VAL 12 -7.503 -2.295 -4.411 64 HG12 VAL 12 2HG1 VAL 12 -6.874 -2.325 -6.060 65 HG13 VAL 12 3HG1 VAL 12 -7.873 -3.654 -5.472 66 HG21 VAL 12 1HG2 VAL 12 -6.250 -5.117 -3.200 67 HG22 VAL 12 2HG2 VAL 12 -7.162 -5.358 -4.689 68 HG23 VAL 12 3HG2 VAL 12 -5.442 -5.743 -4.637 69 H ALA 13 H ALA 13 -3.697 -5.940 -5.738 70 HA ALA 13 HA ALA 13 -1.048 -5.183 -5.095 71 HB1 ALA 13 1HB ALA 13 -2.835 -5.359 -2.878 72 HB2 ALA 13 2HB ALA 13 -1.652 -6.663 -2.770 73 HB3 ALA 13 3HB ALA 13 -1.110 -4.989 -2.887 74 H THR 14 H THR 14 0.344 -7.077 -4.655 75 HA THR 14 HA THR 14 -0.862 -9.613 -5.531 76 HB THR 14 HB THR 14 1.779 -8.538 -6.538 77 HG1 THR 14 1HG THR 14 0.722 -7.960 -8.329 78 HG21 THR 14 1HG2 THR 14 1.711 -10.984 -6.341 79 HG22 THR 14 2HG2 THR 14 1.742 -10.474 -8.029 80 HG23 THR 14 3HG2 THR 14 0.232 -11.018 -7.299 81 H VAL 15 H VAL 15 0.022 -11.471 -4.667 82 HA VAL 15 HA VAL 15 1.396 -11.171 -2.176 83 HB VAL 15 HB VAL 15 -0.283 -12.925 -2.479 84 HG11 VAL 15 1HG1 VAL 15 -0.328 -14.290 -4.234 85 HG12 VAL 15 2HG1 VAL 15 1.022 -13.371 -4.904 86 HG13 VAL 15 3HG1 VAL 15 1.329 -14.817 -3.940 87 HG21 VAL 15 1HG2 VAL 15 1.018 -13.577 -0.734 88 HG22 VAL 15 2HG2 VAL 15 1.383 -14.904 -1.837 89 HG23 VAL 15 3HG2 VAL 15 2.503 -13.550 -1.685 90 H GLY 16 H GLY 16 3.506 -11.394 -1.718 91 HA2 GLY 16 1HA GLY 16 5.721 -12.062 -1.973 92 HA3 GLY 16 2HA GLY 16 5.294 -12.801 -3.509 93 H SER 17 H SER 17 4.148 -10.559 -4.765 94 HA SER 17 HA SER 17 6.562 -9.189 -5.553 95 HB2 SER 17 1HB SER 17 3.709 -9.068 -6.538 96 HB3 SER 17 2HB SER 17 4.991 -8.050 -7.194 97 HG SER 17 HG SER 17 6.084 -9.908 -7.838 98 H ILE 18 H ILE 18 6.985 -6.996 -5.390 99 HA ILE 18 HA ILE 18 6.181 -5.694 -3.054 100 HB ILE 18 HB ILE 18 7.284 -4.381 -5.539 101 HG12 ILE 18 1HG1 ILE 18 8.624 -6.336 -4.693 102 HG13 ILE 18 2HG1 ILE 18 9.481 -4.799 -4.675 103 HG21 ILE 18 1HG2 ILE 18 8.247 -2.801 -3.811 104 HG22 ILE 18 2HG2 ILE 18 6.506 -2.705 -4.073 105 HG23 ILE 18 3HG2 ILE 18 7.139 -3.543 -2.656 106 HD11 ILE 18 1HD1 ILE 18 9.573 -4.722 -2.411 107 HD12 ILE 18 2HD1 ILE 18 8.059 -5.605 -2.207 108 HD13 ILE 18 3HD1 ILE 18 9.535 -6.471 -2.632 109 H CYS 19 H CYS 19 4.562 -4.337 -2.550 110 HA CYS 19 HA CYS 19 2.516 -3.871 -4.584 111 HB2 CYS 19 1HB CYS 19 1.746 -4.863 -2.504 112 HB3 CYS 19 2HB CYS 19 2.456 -3.547 -1.578 113 HG CYS 19 HG CYS 19 0.132 -2.446 -1.409 114 H ASP 20 H ASP 20 2.549 -2.021 -5.656 115 HA ASP 20 HA ASP 20 3.888 0.303 -4.510 116 HB2 ASP 20 1HB ASP 20 2.929 -0.403 -7.272 117 HB3 ASP 20 2HB ASP 20 3.369 1.252 -6.859 118 H LEU 21 H LEU 21 2.870 2.080 -3.797 119 HA LEU 21 HA LEU 21 -0.063 2.133 -4.010 120 HB2 LEU 21 1HB LEU 21 1.272 2.060 -1.751 121 HB3 LEU 21 2HB LEU 21 1.450 3.789 -2.044 122 HG LEU 21 HG LEU 21 -0.976 4.050 -2.040 123 HD11 LEU 21 1HD1 LEU 21 -0.889 1.146 -2.197 124 HD12 LEU 21 2HD1 LEU 21 -2.181 2.268 -2.622 125 HD13 LEU 21 3HD1 LEU 21 -1.989 1.739 -0.951 126 HD21 LEU 21 1HD2 LEU 21 0.348 4.181 0.068 127 HD22 LEU 21 2HD2 LEU 21 -0.078 2.498 0.383 128 HD23 LEU 21 3HD2 LEU 21 -1.340 3.727 0.304 129 H ASN 22 H ASN 22 -1.105 3.893 -4.809 130 HA ASN 22 HA ASN 22 0.591 5.983 -5.986 131 HB2 ASN 22 1HB ASN 22 -2.133 4.915 -6.703 132 HB3 ASN 22 2HB ASN 22 -1.555 6.456 -7.330 133 HD21 ASN 22 1HD2 ASN 22 -1.705 3.188 -7.863 134 HD22 ASN 22 2HD2 ASN 22 -0.468 3.049 -9.062 135 H LEU 23 H LEU 23 0.797 7.557 -4.488 136 HA LEU 23 HA LEU 23 -1.685 8.815 -3.540 137 HB2 LEU 23 1HB LEU 23 0.688 7.943 -1.964 138 HB3 LEU 23 2HB LEU 23 -0.173 9.399 -1.470 139 HG LEU 23 HG LEU 23 -1.442 6.677 -1.755 140 HD11 LEU 23 1HD1 LEU 23 0.236 6.726 0.040 141 HD12 LEU 23 2HD1 LEU 23 -1.407 6.570 0.663 142 HD13 LEU 23 3HD1 LEU 23 -0.577 8.124 0.744 143 HD21 LEU 23 1HD2 LEU 23 -3.114 7.961 -0.196 144 HD22 LEU 23 2HD2 LEU 23 -3.199 8.139 -1.948 145 HD23 LEU 23 3HD2 LEU 23 -2.416 9.382 -0.973 146 H LYS 24 H LYS 24 -1.786 10.933 -3.920 147 HA LYS 24 HA LYS 24 0.722 12.376 -4.474 148 HB2 LYS 24 1HB LYS 24 -0.632 13.755 -6.098 149 HB3 LYS 24 2HB LYS 24 -0.330 12.093 -6.588 150 HG2 LYS 24 1HG LYS 24 -2.601 11.510 -5.725 151 HG3 LYS 24 2HG LYS 24 -2.882 13.236 -5.480 152 HD2 LYS 24 1HD LYS 24 -3.829 12.716 -7.582 153 HD3 LYS 24 2HD LYS 24 -2.306 13.537 -7.930 154 HE2 LYS 24 1HE LYS 24 -1.234 11.322 -8.220 155 HE3 LYS 24 2HE LYS 24 -2.807 10.563 -7.985 156 HZ1 LYS 24 1HZ LYS 24 -3.540 12.045 -9.914 157 HZ2 LYS 24 2HZ LYS 24 -2.582 10.700 -10.276 158 HZ3 LYS 24 3HZ LYS 24 -1.891 12.243 -10.232 159 H ILE 25 H ILE 25 0.916 13.392 -2.521 160 HA ILE 25 HA ILE 25 -1.184 15.349 -1.887 161 HB ILE 25 HB ILE 25 0.369 14.106 0.341 162 HG12 ILE 25 1HG1 ILE 25 -2.192 12.941 -0.771 163 HG13 ILE 25 2HG1 ILE 25 -0.596 12.237 -1.012 164 HG21 ILE 25 1HG2 ILE 25 -0.916 15.509 1.484 165 HG22 ILE 25 2HG2 ILE 25 -1.815 15.937 0.029 166 HG23 ILE 25 3HG2 ILE 25 -2.320 14.556 1.002 167 HD11 ILE 25 1HD1 ILE 25 -2.028 12.595 1.608 168 HD12 ILE 25 2HD1 ILE 25 -1.731 11.080 0.755 169 HD13 ILE 25 3HD1 ILE 25 -0.381 11.990 1.432 170 HA PRO 26 HA PRO 26 2.720 17.657 -2.335 171 HB2 PRO 26 1HB PRO 26 1.501 19.978 -3.041 172 HB3 PRO 26 2HB PRO 26 1.837 18.680 -4.193 173 HG2 PRO 26 1HG PRO 26 -0.716 19.342 -2.777 174 HG3 PRO 26 2HG PRO 26 -0.462 18.884 -4.471 175 HD2 PRO 26 1HD PRO 26 -1.335 17.129 -2.603 176 HD3 PRO 26 2HD PRO 26 -0.321 16.638 -3.974 177 H GLU 27 H GLU 27 -0.269 18.966 -0.892 178 HA GLU 27 HA GLU 27 0.654 20.959 0.677 179 HB2 GLU 27 1HB GLU 27 -1.471 18.909 1.107 180 HB3 GLU 27 2HB GLU 27 -1.055 19.972 2.444 181 HG2 GLU 27 1HG GLU 27 -1.713 21.891 1.270 182 HG3 GLU 27 2HG GLU 27 -1.738 21.039 -0.272 183 H ILE 28 H ILE 28 1.164 17.538 1.182 184 HA ILE 28 HA ILE 28 2.769 18.166 3.573 185 HB ILE 28 HB ILE 28 1.530 15.500 2.887 186 HG12 ILE 28 1HG1 ILE 28 0.619 17.248 5.145 187 HG13 ILE 28 2HG1 ILE 28 -0.002 17.530 3.523 188 HG21 ILE 28 1HG2 ILE 28 2.044 15.110 5.355 189 HG22 ILE 28 2HG2 ILE 28 3.406 15.110 4.236 190 HG23 ILE 28 3HG2 ILE 28 3.089 16.526 5.238 191 HD11 ILE 28 1HD1 ILE 28 -1.347 15.755 3.611 192 HD12 ILE 28 2HD1 ILE 28 -0.118 14.738 4.363 193 HD13 ILE 28 3HD1 ILE 28 -1.083 15.835 5.352 194 H ASN 29 H ASN 29 4.609 16.629 3.933 195 HA ASN 29 HA ASN 29 5.938 16.086 1.364 196 HB2 ASN 29 1HB ASN 29 7.050 16.766 4.088 197 HB3 ASN 29 2HB ASN 29 8.054 16.172 2.769 198 HD21 ASN 29 1HD2 ASN 29 9.059 18.321 3.311 199 HD22 ASN 29 2HD2 ASN 29 8.486 19.691 2.427 200 H SER 30 H SER 30 7.699 14.322 1.620 201 HA SER 30 HA SER 30 6.336 11.940 2.570 202 HB2 SER 30 1HB SER 30 8.013 10.701 1.328 203 HB3 SER 30 2HB SER 30 7.396 12.006 0.315 204 HG SER 30 HG SER 30 9.431 12.492 0.109 205 H SER 31 H SER 31 8.535 14.131 3.798 206 HA SER 31 HA SER 31 10.093 12.243 5.345 207 HB2 SER 31 1HB SER 31 10.071 15.214 5.000 208 HB3 SER 31 2HB SER 31 10.823 14.536 6.445 209 HG SER 31 HG SER 31 12.050 13.183 4.953 210 H ASP 32 H ASP 32 7.276 14.240 5.741 211 HA ASP 32 HA ASP 32 7.213 13.748 8.623 212 HB2 ASP 32 1HB ASP 32 6.666 16.015 7.427 213 HB3 ASP 32 2HB ASP 32 5.093 15.271 7.152 214 H MET 33 H MET 33 6.436 12.018 6.035 215 HA MET 33 HA MET 33 3.876 11.046 7.105 216 HB2 MET 33 1HB MET 33 5.112 11.019 4.381 217 HB3 MET 33 2HB MET 33 3.949 9.769 4.803 218 HG2 MET 33 1HG MET 33 2.483 11.792 5.553 219 HG3 MET 33 2HG MET 33 3.547 12.701 4.482 220 HE1 MET 33 1HE MET 33 4.295 11.665 2.329 221 HE2 MET 33 2HE MET 33 3.286 10.729 1.226 222 HE3 MET 33 3HE MET 33 2.993 12.456 1.440 223 H SER 34 H SER 34 3.529 8.766 7.286 224 HA SER 34 HA SER 34 5.822 7.001 7.132 225 HB2 SER 34 1HB SER 34 4.428 7.437 9.784 226 HB3 SER 34 2HB SER 34 5.759 6.325 9.466 227 HG SER 34 HG SER 34 6.189 8.548 10.400 228 H ALA 35 H ALA 35 5.140 5.133 6.337 229 HA ALA 35 HA ALA 35 2.303 4.425 6.637 230 HB1 ALA 35 1HB ALA 35 2.425 4.172 4.429 231 HB2 ALA 35 2HB ALA 35 4.187 4.264 4.442 232 HB3 ALA 35 3HB ALA 35 3.382 2.723 4.739 233 H HIS 36 H HIS 36 1.679 2.377 7.303 234 HA HIS 36 HA HIS 36 3.786 0.559 8.229 235 HB2 HIS 36 1HB HIS 36 1.405 1.392 9.901 236 HB3 HIS 36 2HB HIS 36 2.631 0.214 10.360 237 HD1 HIS 36 1HD HIS 36 1.925 3.832 10.294 238 HD2 HIS 36 2HD HIS 36 5.194 1.353 10.945 239 HE1 HIS 36 1HE HIS 36 3.673 5.291 11.360 240 HE2 HIS 36 2HE HIS 36 5.672 3.790 11.667 241 H VAL 37 H VAL 37 3.457 -1.359 7.338 242 HA VAL 37 HA VAL 37 0.843 -2.074 6.303 243 HB VAL 37 HB VAL 37 3.497 -3.509 6.164 244 HG11 VAL 37 1HG1 VAL 37 2.230 -4.795 4.319 245 HG12 VAL 37 2HG1 VAL 37 1.956 -5.243 6.003 246 HG13 VAL 37 3HG1 VAL 37 0.776 -4.246 5.151 247 HG21 VAL 37 1HG2 VAL 37 3.924 -2.320 4.331 248 HG22 VAL 37 2HG2 VAL 37 2.327 -2.656 3.663 249 HG23 VAL 37 3HG2 VAL 37 2.555 -1.296 4.763 250 H THR 38 H THR 38 -0.517 -2.676 7.907 251 HA THR 38 HA THR 38 0.391 -4.461 10.016 252 HB THR 38 HB THR 38 -2.448 -3.538 9.639 253 HG1 THR 38 1HG THR 38 -1.799 -1.568 10.014 254 HG21 THR 38 1HG2 THR 38 -2.782 -4.266 11.746 255 HG22 THR 38 2HG2 THR 38 -1.214 -3.680 12.303 256 HG23 THR 38 3HG2 THR 38 -1.330 -5.224 11.459 257 H SER 39 H SER 39 0.016 -6.592 10.107 258 HA SER 39 HA SER 39 -1.344 -7.835 7.845 259 HB2 SER 39 1HB SER 39 0.625 -8.751 9.896 260 HB3 SER 39 2HB SER 39 -0.424 -9.956 9.149 261 HG SER 39 HG SER 39 0.321 -9.095 7.096 262 HA PRO 40 HA PRO 40 -4.979 -9.034 9.986 263 HB2 PRO 40 1HB PRO 40 -5.423 -11.531 9.018 264 HB3 PRO 40 2HB PRO 40 -5.658 -10.071 8.051 265 HG2 PRO 40 1HG PRO 40 -3.336 -11.960 8.094 266 HG3 PRO 40 2HG PRO 40 -4.141 -11.209 6.705 267 HD2 PRO 40 1HD PRO 40 -1.806 -10.281 7.712 268 HD3 PRO 40 2HD PRO 40 -3.017 -9.215 6.971 269 H SER 41 H SER 41 -2.062 -10.730 10.459 270 HA SER 41 HA SER 41 -3.133 -12.542 12.459 271 HB2 SER 41 1HB SER 41 -0.922 -13.454 12.598 272 HB3 SER 41 2HB SER 41 -1.255 -13.171 10.890 273 HG SER 41 HG SER 41 -0.095 -11.164 11.139 274 H GLY 42 H GLY 42 -1.845 -9.382 12.305 275 HA2 GLY 42 1HA GLY 42 -2.179 -7.976 14.267 276 HA3 GLY 42 2HA GLY 42 -1.660 -9.337 15.251 277 H ARG 43 H ARG 43 0.127 -8.928 12.385 278 HA ARG 43 HA ARG 43 2.314 -7.698 13.928 279 HB2 ARG 43 1HB ARG 43 2.746 -10.014 13.196 280 HB3 ARG 43 2HB ARG 43 2.489 -9.526 11.526 281 HG2 ARG 43 1HG ARG 43 4.393 -7.835 11.978 282 HG3 ARG 43 2HG ARG 43 4.760 -8.877 13.354 283 HD2 ARG 43 1HD ARG 43 4.670 -10.793 11.617 284 HD3 ARG 43 2HD ARG 43 4.852 -9.504 10.428 285 HE ARG 43 HE ARG 43 6.813 -9.303 12.474 286 HH11 ARG 43 1HH1 ARG 43 5.975 -11.081 9.600 287 HH12 ARG 43 2HH1 ARG 43 7.614 -11.489 9.217 288 HH21 ARG 43 1HH2 ARG 43 8.976 -9.834 11.979 289 HH22 ARG 43 2HH2 ARG 43 9.321 -10.780 10.571 290 H VAL 44 H VAL 44 2.869 -5.709 13.363 291 HA VAL 44 HA VAL 44 2.291 -4.813 10.613 292 HB VAL 44 HB VAL 44 0.869 -3.613 12.130 293 HG11 VAL 44 1HG1 VAL 44 3.392 -3.180 13.698 294 HG12 VAL 44 2HG1 VAL 44 1.977 -2.146 13.906 295 HG13 VAL 44 3HG1 VAL 44 1.863 -3.876 14.236 296 HG21 VAL 44 1HG2 VAL 44 2.080 -2.394 10.264 297 HG22 VAL 44 2HG2 VAL 44 1.410 -1.390 11.549 298 HG23 VAL 44 3HG2 VAL 44 3.139 -1.739 11.513 299 H THR 45 H THR 45 3.789 -3.428 9.606 300 HA THR 45 HA THR 45 6.412 -3.200 10.916 301 HB THR 45 HB THR 45 7.287 -3.535 8.441 302 HG1 THR 45 1HG THR 45 4.889 -5.081 8.509 303 HG21 THR 45 1HG2 THR 45 7.536 -4.953 10.658 304 HG22 THR 45 2HG2 THR 45 8.053 -5.595 9.099 305 HG23 THR 45 3HG2 THR 45 6.500 -6.077 9.780 306 H GLU 46 H GLU 46 7.872 -1.824 9.248 307 HA GLU 46 HA GLU 46 6.334 0.637 8.794 308 HB2 GLU 46 1HB GLU 46 8.168 0.883 10.368 309 HB3 GLU 46 2HB GLU 46 9.298 0.210 9.202 310 HG2 GLU 46 1HG GLU 46 8.775 2.145 7.707 311 HG3 GLU 46 2HG GLU 46 7.854 2.841 9.039 312 H ALA 47 H ALA 47 6.103 1.462 6.809 313 HA ALA 47 HA ALA 47 7.376 0.044 4.585 314 HB1 ALA 47 1HB ALA 47 4.772 1.007 5.009 315 HB2 ALA 47 2HB ALA 47 5.467 1.998 3.726 316 HB3 ALA 47 3HB ALA 47 5.420 0.243 3.557 317 H GLU 48 H GLU 48 8.130 1.307 2.726 318 HA GLU 48 HA GLU 48 9.420 3.797 3.614 319 HB2 GLU 48 1HB GLU 48 10.975 2.011 2.993 320 HB3 GLU 48 2HB GLU 48 10.217 1.884 1.412 321 HG2 GLU 48 1HG GLU 48 12.224 3.113 1.146 322 HG3 GLU 48 2HG GLU 48 10.885 4.248 0.986 323 H ILE 49 H ILE 49 9.310 5.643 2.381 324 HA ILE 49 HA ILE 49 7.281 5.612 0.252 325 HB ILE 49 HB ILE 49 8.232 7.887 1.995 326 HG12 ILE 49 1HG1 ILE 49 5.521 6.561 1.798 327 HG13 ILE 49 2HG1 ILE 49 6.707 6.221 3.053 328 HG21 ILE 49 1HG2 ILE 49 7.775 8.873 -0.086 329 HG22 ILE 49 2HG2 ILE 49 6.376 7.837 -0.364 330 HG23 ILE 49 3HG2 ILE 49 6.305 9.105 0.859 331 HD11 ILE 49 1HD1 ILE 49 6.599 8.688 3.613 332 HD12 ILE 49 2HD1 ILE 49 5.171 8.750 2.579 333 HD13 ILE 49 3HD1 ILE 49 5.181 7.716 4.008 334 H VAL 50 H VAL 50 8.361 5.293 -1.619 335 HA VAL 50 HA VAL 50 10.929 6.412 -2.167 336 HB VAL 50 HB VAL 50 8.912 5.183 -4.051 337 HG11 VAL 50 1HG1 VAL 50 11.822 5.299 -4.651 338 HG12 VAL 50 2HG1 VAL 50 10.440 5.275 -5.748 339 HG13 VAL 50 3HG1 VAL 50 10.861 6.758 -4.891 340 HG21 VAL 50 1HG2 VAL 50 9.665 3.646 -2.309 341 HG22 VAL 50 2HG2 VAL 50 10.303 3.178 -3.885 342 HG23 VAL 50 3HG2 VAL 50 11.345 3.993 -2.719 343 HA PRO 51 HA PRO 51 9.664 10.438 -3.471 344 HB2 PRO 51 1HB PRO 51 11.940 11.134 -4.777 345 HB3 PRO 51 2HB PRO 51 11.820 11.086 -3.014 346 HG2 PRO 51 1HG PRO 51 12.968 9.056 -4.890 347 HG3 PRO 51 2HG PRO 51 13.605 9.631 -3.339 348 HD2 PRO 51 1HD PRO 51 12.278 7.284 -3.589 349 HD3 PRO 51 2HD PRO 51 12.202 8.272 -2.116 350 H MET 52 H MET 52 8.025 9.650 -4.943 351 HA MET 52 HA MET 52 8.518 8.733 -7.539 352 HB2 MET 52 1HB MET 52 6.184 10.044 -6.199 353 HB3 MET 52 2HB MET 52 6.152 9.795 -7.939 354 HG2 MET 52 1HG MET 52 6.601 7.616 -5.914 355 HG3 MET 52 2HG MET 52 5.045 8.004 -6.644 356 HE1 MET 52 1HE MET 52 4.544 7.318 -9.485 357 HE2 MET 52 2HE MET 52 4.882 5.597 -9.298 358 HE3 MET 52 3HE MET 52 4.178 6.508 -7.961 359 H GLY 53 H GLY 53 7.730 12.032 -6.430 360 HA2 GLY 53 1HA GLY 53 9.475 13.552 -7.741 361 HA3 GLY 53 2HA GLY 53 8.405 13.093 -9.058 362 H LYS 54 H LYS 54 6.852 14.495 -9.493 363 HA LYS 54 HA LYS 54 6.373 16.837 -8.114 364 HB2 LYS 54 1HB LYS 54 5.642 16.233 -10.466 365 HB3 LYS 54 2HB LYS 54 4.280 15.392 -9.738 366 HG2 LYS 54 1HG LYS 54 3.269 17.339 -9.048 367 HG3 LYS 54 2HG LYS 54 4.782 18.247 -9.039 368 HD2 LYS 54 1HD LYS 54 4.730 18.616 -11.309 369 HD3 LYS 54 2HD LYS 54 3.756 17.179 -11.628 370 HE2 LYS 54 1HE LYS 54 1.778 18.232 -10.946 371 HE3 LYS 54 2HE LYS 54 2.647 19.521 -10.113 372 HZ1 LYS 54 1HZ LYS 54 1.570 19.952 -12.419 373 HZ2 LYS 54 2HZ LYS 54 2.970 19.215 -13.018 374 HZ3 LYS 54 3HZ LYS 54 3.089 20.608 -12.066 375 H ASN 55 H ASN 55 6.146 16.504 -5.905 376 HA ASN 55 HA ASN 55 5.180 15.770 -3.940 377 HB2 ASN 55 1HB ASN 55 2.644 16.479 -4.004 378 HB3 ASN 55 2HB ASN 55 3.913 17.698 -4.073 379 HD21 ASN 55 1HD2 ASN 55 3.785 19.132 -5.639 380 HD22 ASN 55 2HD2 ASN 55 2.872 18.966 -7.096 381 H SER 56 H SER 56 5.502 13.566 -5.550 382 HA SER 56 HA SER 56 2.987 12.079 -5.159 383 HB2 SER 56 1HB SER 56 5.145 11.800 -7.244 384 HB3 SER 56 2HB SER 56 4.025 10.484 -6.896 385 HG SER 56 HG SER 56 3.518 12.191 -8.607 386 H HIS 57 H HIS 57 3.029 10.169 -4.058 387 HA HIS 57 HA HIS 57 5.631 9.300 -2.985 388 HB2 HIS 57 1HB HIS 57 3.110 9.020 -1.384 389 HB3 HIS 57 2HB HIS 57 4.781 9.061 -0.827 390 HD1 HIS 57 1HD HIS 57 5.956 11.519 -1.086 391 HD2 HIS 57 2HD HIS 57 1.804 11.383 -1.136 392 HE1 HIS 57 1HE HIS 57 5.201 13.866 -0.590 393 HE2 HIS 57 2HE HIS 57 2.686 13.741 -0.541 394 H CYS 58 H CYS 58 6.043 7.155 -3.026 395 HA CYS 58 HA CYS 58 3.850 5.353 -3.807 396 HB2 CYS 58 1HB CYS 58 5.463 5.979 -5.692 397 HB3 CYS 58 2HB CYS 58 6.674 5.049 -4.819 398 HG CYS 58 HG CYS 58 5.277 2.636 -4.986 399 H VAL 59 H VAL 59 3.536 3.917 -2.251 400 HA VAL 59 HA VAL 59 5.678 3.263 -0.395 401 HB VAL 59 HB VAL 59 2.797 2.350 -0.404 402 HG11 VAL 59 1HG1 VAL 59 3.160 1.535 1.790 403 HG12 VAL 59 2HG1 VAL 59 4.481 0.907 0.803 404 HG13 VAL 59 3HG1 VAL 59 4.757 2.278 1.878 405 HG21 VAL 59 1HG2 VAL 59 3.985 4.394 1.440 406 HG22 VAL 59 2HG2 VAL 59 3.323 4.855 -0.128 407 HG23 VAL 59 3HG2 VAL 59 2.288 4.082 1.073 408 H ARG 60 H ARG 60 6.852 1.459 -0.459 409 HA ARG 60 HA ARG 60 5.931 -0.740 -2.192 410 HB2 ARG 60 1HB ARG 60 8.583 0.587 -1.945 411 HB3 ARG 60 2HB ARG 60 8.570 -1.151 -2.214 412 HG2 ARG 60 1HG ARG 60 7.064 -0.710 -4.190 413 HG3 ARG 60 2HG ARG 60 7.437 1.002 -3.975 414 HD2 ARG 60 1HD ARG 60 9.636 0.740 -4.597 415 HD3 ARG 60 2HD ARG 60 9.676 -0.959 -4.126 416 HE ARG 60 HE ARG 60 8.978 -1.520 -6.231 417 HH11 ARG 60 1HH1 ARG 60 8.395 1.872 -5.706 418 HH12 ARG 60 2HH1 ARG 60 7.939 2.181 -7.348 419 HH21 ARG 60 1HH2 ARG 60 8.379 -1.125 -8.396 420 HH22 ARG 60 2HH2 ARG 60 7.929 0.475 -8.877 421 H PHE 61 H PHE 61 5.592 -2.599 -1.180 422 HA PHE 61 HA PHE 61 7.301 -3.481 0.969 423 HB2 PHE 61 1HB PHE 61 5.506 -3.760 2.615 424 HB3 PHE 61 2HB PHE 61 5.708 -2.064 2.188 425 HD1 PHE 61 1HD PHE 61 3.719 -5.041 1.141 426 HD2 PHE 61 2HD PHE 61 3.823 -0.830 1.754 427 HE1 PHE 61 1HE PHE 61 1.327 -4.903 0.581 428 HE2 PHE 61 2HE PHE 61 1.431 -0.686 1.196 429 HZ PHE 61 HZ PHE 61 0.180 -2.724 0.609 430 H VAL 62 H VAL 62 6.906 -5.700 1.579 431 HA VAL 62 HA VAL 62 5.677 -7.210 -0.613 432 HB VAL 62 HB VAL 62 7.449 -8.306 1.568 433 HG11 VAL 62 1HG1 VAL 62 7.865 -10.068 -0.159 434 HG12 VAL 62 2HG1 VAL 62 6.211 -10.017 0.453 435 HG13 VAL 62 3HG1 VAL 62 6.589 -9.335 -1.130 436 HG21 VAL 62 1HG2 VAL 62 8.200 -6.467 -0.395 437 HG22 VAL 62 2HG2 VAL 62 9.265 -7.464 0.595 438 HG23 VAL 62 3HG2 VAL 62 8.746 -8.035 -0.991 439 HA PRO 63 HA PRO 63 2.351 -7.869 2.376 440 HB2 PRO 63 1HB PRO 63 0.589 -8.794 0.530 441 HB3 PRO 63 2HB PRO 63 0.899 -7.072 0.783 442 HG2 PRO 63 1HG PRO 63 1.991 -8.905 -1.317 443 HG3 PRO 63 2HG PRO 63 1.393 -7.244 -1.483 444 HD2 PRO 63 1HD PRO 63 4.032 -7.836 -1.362 445 HD3 PRO 63 2HD PRO 63 3.363 -6.324 -0.716 446 H GLN 64 H GLN 64 0.698 -9.891 2.350 447 HA GLN 64 HA GLN 64 2.395 -12.293 2.181 448 HB2 GLN 64 1HB GLN 64 0.258 -11.520 4.158 449 HB3 GLN 64 2HB GLN 64 0.810 -13.180 3.983 450 HG2 GLN 64 1HG GLN 64 2.548 -10.829 4.697 451 HG3 GLN 64 2HG GLN 64 1.913 -12.020 5.831 452 HE21 GLN 64 1HE2 GLN 64 4.102 -11.491 3.159 453 HE22 GLN 64 2HE2 GLN 64 5.081 -12.889 3.430 454 H GLU 65 H GLU 65 0.970 -14.357 2.135 455 HA GLU 65 HA GLU 65 -0.843 -14.047 -0.129 456 HB2 GLU 65 1HB GLU 65 -0.530 -16.343 -0.555 457 HB3 GLU 65 2HB GLU 65 1.049 -15.753 -0.059 458 HG2 GLU 65 1HG GLU 65 0.637 -16.621 2.205 459 HG3 GLU 65 2HG GLU 65 -0.909 -17.264 1.655 460 H MET 66 H MET 66 -2.989 -14.312 -0.022 461 HA MET 66 HA MET 66 -5.074 -14.547 0.855 462 HB2 MET 66 1HB MET 66 -4.071 -16.656 2.726 463 HB3 MET 66 2HB MET 66 -5.574 -16.599 1.815 464 HG2 MET 66 1HG MET 66 -2.856 -17.025 0.598 465 HG3 MET 66 2HG MET 66 -3.983 -18.312 1.018 466 HE1 MET 66 1HE MET 66 -2.451 -16.504 -1.376 467 HE2 MET 66 2HE MET 66 -3.403 -16.697 -2.848 468 HE3 MET 66 3HE MET 66 -3.579 -15.240 -1.869 469 H GLY 67 H GLY 67 -3.888 -12.431 1.929 470 HA2 GLY 67 1HA GLY 67 -4.979 -12.399 4.628 471 HA3 GLY 67 2HA GLY 67 -3.258 -12.065 4.495 472 H VAL 68 H VAL 68 -5.837 -10.479 5.162 473 HA VAL 68 HA VAL 68 -5.606 -8.321 3.207 474 HB VAL 68 HB VAL 68 -7.446 -8.377 5.591 475 HG11 VAL 68 1HG1 VAL 68 -7.046 -6.239 4.335 476 HG12 VAL 68 2HG1 VAL 68 -7.776 -7.014 2.927 477 HG13 VAL 68 3HG1 VAL 68 -8.726 -6.772 4.393 478 HG21 VAL 68 1HG2 VAL 68 -8.077 -10.346 4.531 479 HG22 VAL 68 2HG2 VAL 68 -9.149 -9.148 3.806 480 HG23 VAL 68 3HG2 VAL 68 -7.729 -9.709 2.923 481 H HIS 69 H HIS 69 -4.242 -6.704 3.534 482 HA HIS 69 HA HIS 69 -3.316 -6.154 6.266 483 HB2 HIS 69 1HB HIS 69 -2.098 -5.231 3.658 484 HB3 HIS 69 2HB HIS 69 -1.386 -5.093 5.262 485 HD1 HIS 69 1HD HIS 69 -2.661 -7.942 3.071 486 HD2 HIS 69 2HD HIS 69 0.428 -7.037 5.698 487 HE1 HIS 69 1HE HIS 69 -1.191 -9.981 3.107 488 HE2 HIS 69 2HE HIS 69 0.625 -9.442 4.768 489 H THR 70 H THR 70 -2.822 -3.828 6.741 490 HA THR 70 HA THR 70 -4.734 -2.007 5.445 491 HB THR 70 HB THR 70 -4.299 -1.761 8.388 492 HG1 THR 70 1HG THR 70 -5.062 -3.743 8.584 493 HG21 THR 70 1HG2 THR 70 -6.856 -1.399 6.863 494 HG22 THR 70 2HG2 THR 70 -5.605 -0.156 6.835 495 HG23 THR 70 3HG2 THR 70 -6.339 -0.634 8.365 496 H VAL 71 H VAL 71 -3.692 -0.307 4.664 497 HA VAL 71 HA VAL 71 -1.059 0.392 5.684 498 HB VAL 71 HB VAL 71 -2.550 1.702 3.413 499 HG11 VAL 71 1HG1 VAL 71 -0.251 2.274 2.666 500 HG12 VAL 71 2HG1 VAL 71 -0.697 3.013 4.205 501 HG13 VAL 71 3HG1 VAL 71 0.364 1.605 4.177 502 HG21 VAL 71 1HG2 VAL 71 -0.704 0.098 2.224 503 HG22 VAL 71 2HG2 VAL 71 -1.225 -0.911 3.573 504 HG23 VAL 71 3HG2 VAL 71 -2.410 -0.307 2.415 505 H SER 72 H SER 72 -1.094 1.594 7.485 506 HA SER 72 HA SER 72 -3.063 3.751 7.728 507 HB2 SER 72 1HB SER 72 -1.178 2.578 9.789 508 HB3 SER 72 2HB SER 72 -2.374 3.836 10.100 509 HG SER 72 HG SER 72 -3.193 1.416 8.940 510 H VAL 73 H VAL 73 -2.400 5.591 6.823 511 HA VAL 73 HA VAL 73 0.390 6.437 7.259 512 HB VAL 73 HB VAL 73 -1.489 7.205 5.021 513 HG11 VAL 73 1HG1 VAL 73 1.269 8.157 5.740 514 HG12 VAL 73 2HG1 VAL 73 0.619 8.294 4.105 515 HG13 VAL 73 3HG1 VAL 73 -0.182 9.115 5.446 516 HG21 VAL 73 1HG2 VAL 73 -0.759 5.160 4.336 517 HG22 VAL 73 2HG2 VAL 73 0.595 6.136 3.768 518 HG23 VAL 73 3HG2 VAL 73 0.725 5.247 5.285 519 H LYS 74 H LYS 74 0.399 7.768 8.964 520 HA LYS 74 HA LYS 74 -1.744 9.756 9.231 521 HB2 LYS 74 1HB LYS 74 0.112 8.423 11.140 522 HB3 LYS 74 2HB LYS 74 -0.403 10.062 11.516 523 HG2 LYS 74 1HG LYS 74 -2.787 9.039 10.990 524 HG3 LYS 74 2HG LYS 74 -1.967 7.546 11.453 525 HD2 LYS 74 1HD LYS 74 -2.180 10.065 13.102 526 HD3 LYS 74 2HD LYS 74 -3.036 8.548 13.388 527 HE2 LYS 74 1HE LYS 74 -0.599 7.562 13.424 528 HE3 LYS 74 2HE LYS 74 -0.163 9.225 13.812 529 HZ1 LYS 74 1HZ LYS 74 -0.713 8.796 15.898 530 HZ2 LYS 74 2HZ LYS 74 -1.266 7.249 15.497 531 HZ3 LYS 74 3HZ LYS 74 -2.321 8.569 15.423 532 H TYR 75 H TYR 75 -1.127 11.944 9.922 533 HA TYR 75 HA TYR 75 1.563 12.757 9.088 534 HB2 TYR 75 1HB TYR 75 0.364 13.203 7.108 535 HB3 TYR 75 2HB TYR 75 -1.042 13.790 7.988 536 HD1 TYR 75 1HD TYR 75 2.600 14.653 8.022 537 HD2 TYR 75 2HD TYR 75 -1.404 16.030 7.604 538 HE1 TYR 75 1HE TYR 75 3.423 16.959 7.789 539 HE2 TYR 75 2HE TYR 75 -0.592 18.339 7.368 540 HH TYR 75 HH TYR 75 2.565 19.121 6.722 541 H ARG 76 H ARG 76 2.468 14.117 10.487 542 HA ARG 76 HA ARG 76 2.696 15.250 12.475 543 HB2 ARG 76 1HB ARG 76 0.887 16.795 10.693 544 HB3 ARG 76 2HB ARG 76 1.053 17.357 12.350 545 HG2 ARG 76 1HG ARG 76 3.515 17.409 12.025 546 HG3 ARG 76 2HG ARG 76 3.252 17.004 10.327 547 HD2 ARG 76 1HD ARG 76 3.558 19.416 10.660 548 HD3 ARG 76 2HD ARG 76 1.960 19.035 10.018 549 HE ARG 76 HE ARG 76 2.581 20.132 12.625 550 HH11 ARG 76 1HH1 ARG 76 0.211 18.597 10.588 551 HH12 ARG 76 2HH1 ARG 76 -1.139 19.139 11.530 552 HH21 ARG 76 1HH2 ARG 76 0.812 20.851 13.872 553 HH22 ARG 76 2HH2 ARG 76 -0.796 20.421 13.397 554 H GLY 77 H GLY 77 0.661 13.091 12.502 555 HA2 GLY 77 1HA GLY 77 -0.533 12.270 14.348 556 HA3 GLY 77 2HA GLY 77 -0.637 13.906 14.980 557 H GLN 78 H GLN 78 -1.529 12.889 11.726 558 HA GLN 78 HA GLN 78 -4.357 12.966 12.370 559 HB2 GLN 78 1HB GLN 78 -4.943 14.847 11.198 560 HB3 GLN 78 2HB GLN 78 -3.363 15.346 11.788 561 HG2 GLN 78 1HG GLN 78 -2.391 14.611 9.624 562 HG3 GLN 78 2HG GLN 78 -4.028 14.301 9.048 563 HE21 GLN 78 1HE2 GLN 78 -4.326 15.819 7.551 564 HE22 GLN 78 2HE2 GLN 78 -4.162 17.519 7.810 565 H HIS 79 H HIS 79 -5.374 11.447 11.243 566 HA HIS 79 HA HIS 79 -4.029 9.886 9.296 567 HB2 HIS 79 1HB HIS 79 -6.804 9.955 10.411 568 HB3 HIS 79 2HB HIS 79 -6.493 9.012 8.957 569 HD1 HIS 79 1HD HIS 79 -5.161 6.845 9.214 570 HD2 HIS 79 2HD HIS 79 -5.577 8.971 12.759 571 HE1 HIS 79 1HE HIS 79 -4.399 5.281 11.030 572 HE2 HIS 79 2HE HIS 79 -4.740 6.559 13.173 573 H VAL 80 H VAL 80 -3.867 10.142 7.168 574 HA VAL 80 HA VAL 80 -4.854 12.442 5.859 575 HB VAL 80 HB VAL 80 -3.930 11.535 3.832 576 HG11 VAL 80 1HG1 VAL 80 -1.792 11.750 4.483 577 HG12 VAL 80 2HG1 VAL 80 -2.487 12.044 6.079 578 HG13 VAL 80 3HG1 VAL 80 -1.909 10.433 5.650 579 HG21 VAL 80 1HG2 VAL 80 -3.631 8.912 5.292 580 HG22 VAL 80 2HG2 VAL 80 -4.856 9.258 4.071 581 HG23 VAL 80 3HG2 VAL 80 -3.149 9.253 3.631 582 H THR 81 H THR 81 -6.261 12.491 3.972 583 HA THR 81 HA THR 81 -8.780 11.368 4.469 584 HB THR 81 HB THR 81 -7.720 12.503 1.873 585 HG1 THR 81 1HG THR 81 -8.329 14.432 2.657 586 HG21 THR 81 1HG2 THR 81 -9.702 12.055 0.962 587 HG22 THR 81 2HG2 THR 81 -10.522 12.898 2.276 588 HG23 THR 81 3HG2 THR 81 -10.156 11.179 2.423 589 H GLY 82 H GLY 82 -9.707 9.489 3.925 590 HA2 GLY 82 1HA GLY 82 -10.132 7.630 2.531 591 HA3 GLY 82 2HA GLY 82 -8.591 7.906 1.732 592 H SER 83 H SER 83 -7.159 8.144 4.297 593 HA SER 83 HA SER 83 -6.622 5.341 4.655 594 HB2 SER 83 1HB SER 83 -4.630 6.449 4.835 595 HB3 SER 83 2HB SER 83 -5.376 7.896 5.514 596 HG SER 83 HG SER 83 -4.506 7.128 7.286 597 HA PRO 84 HA PRO 84 -5.397 4.265 6.387 598 HB2 PRO 84 1HB PRO 84 -6.187 1.809 7.230 599 HB3 PRO 84 2HB PRO 84 -5.473 3.011 8.311 600 HG2 PRO 84 1HG PRO 84 -8.354 2.311 7.897 601 HG3 PRO 84 2HG PRO 84 -7.484 2.622 9.411 602 HD2 PRO 84 1HD PRO 84 -9.054 4.482 8.224 603 HD3 PRO 84 2HD PRO 84 -7.606 4.910 9.158 604 H PHE 85 H PHE 85 -4.980 2.810 4.696 605 HA PHE 85 HA PHE 85 -7.270 2.364 2.917 606 HB2 PHE 85 1HB PHE 85 -4.309 2.311 2.295 607 HB3 PHE 85 2HB PHE 85 -5.613 2.148 1.122 608 HD1 PHE 85 2HD PHE 85 -7.161 4.093 0.757 609 HD2 PHE 85 1HD PHE 85 -3.545 4.416 2.978 610 HE1 PHE 85 2HE PHE 85 -7.208 6.536 0.470 611 HE2 PHE 85 1HE PHE 85 -3.586 6.860 2.695 612 HZ PHE 85 HZ PHE 85 -5.419 7.923 1.439 613 H GLN 86 H GLN 86 -8.147 0.412 3.125 614 HA GLN 86 HA GLN 86 -6.472 -1.869 3.842 615 HB2 GLN 86 1HB GLN 86 -8.768 -1.275 4.904 616 HB3 GLN 86 2HB GLN 86 -9.444 -1.989 3.446 617 HG2 GLN 86 1HG GLN 86 -7.991 -4.023 4.003 618 HG3 GLN 86 2HG GLN 86 -7.834 -3.298 5.601 619 HE21 GLN 86 1HE2 GLN 86 -9.327 -3.779 7.046 620 HE22 GLN 86 2HE2 GLN 86 -10.880 -4.458 6.711 621 H PHE 87 H PHE 87 -6.090 -3.588 2.533 622 HA PHE 87 HA PHE 87 -7.478 -3.818 -0.013 623 HB2 PHE 87 1HB PHE 87 -5.510 -3.747 -1.371 624 HB3 PHE 87 2HB PHE 87 -5.504 -2.295 -0.377 625 HD1 PHE 87 2HD PHE 87 -4.050 -5.680 -0.707 626 HD2 PHE 87 1HD PHE 87 -3.723 -1.828 1.075 627 HE1 PHE 87 2HE PHE 87 -1.797 -6.248 0.100 628 HE2 PHE 87 1HE PHE 87 -1.469 -2.390 1.884 629 HZ PHE 87 HZ PHE 87 -0.503 -4.603 1.398 630 H THR 88 H THR 88 -7.493 -5.880 -0.841 631 HA THR 88 HA THR 88 -6.451 -7.951 0.952 632 HB THR 88 HB THR 88 -8.455 -8.241 -1.294 633 HG1 THR 88 1HG THR 88 -8.944 -8.182 1.512 634 HG21 THR 88 1HG2 THR 88 -7.851 -10.405 -1.012 635 HG22 THR 88 2HG2 THR 88 -8.915 -10.299 0.390 636 HG23 THR 88 3HG2 THR 88 -7.172 -10.117 0.590 637 H VAL 89 H VAL 89 -4.895 -9.340 0.358 638 HA VAL 89 HA VAL 89 -3.495 -8.888 -2.114 639 HB VAL 89 HB VAL 89 -3.013 -10.952 0.041 640 HG11 VAL 89 1HG1 VAL 89 -1.941 -10.731 -2.577 641 HG12 VAL 89 2HG1 VAL 89 -0.671 -10.304 -1.428 642 HG13 VAL 89 3HG1 VAL 89 -1.494 -11.859 -1.298 643 HG21 VAL 89 1HG2 VAL 89 -1.289 -9.476 0.847 644 HG22 VAL 89 2HG2 VAL 89 -1.591 -8.340 -0.467 645 HG23 VAL 89 3HG2 VAL 89 -2.814 -8.592 0.779 646 H GLY 90 H GLY 90 -3.561 -10.061 -3.941 647 HA2 GLY 90 1HA GLY 90 -5.379 -12.381 -3.972 648 HA3 GLY 90 2HA GLY 90 -5.023 -11.360 -5.357 649 HA PRO 91 HA PRO 91 -2.486 -15.169 -5.844 650 HB2 PRO 91 1HB PRO 91 -2.846 -15.325 -8.530 651 HB3 PRO 91 2HB PRO 91 -3.991 -16.002 -7.366 652 HG2 PRO 91 1HG PRO 91 -4.116 -13.410 -8.858 653 HG3 PRO 91 2HG PRO 91 -5.406 -14.587 -8.551 654 HD2 PRO 91 1HD PRO 91 -5.138 -12.312 -7.109 655 HD3 PRO 91 2HD PRO 91 -5.775 -13.815 -6.411 656 H LEU 92 H LEU 92 -0.362 -15.220 -6.371 657 HA LEU 92 HA LEU 92 1.067 -12.875 -6.840 658 HB2 LEU 92 1HB LEU 92 2.221 -14.662 -5.852 659 HB3 LEU 92 2HB LEU 92 1.763 -15.778 -7.136 660 HG LEU 92 HG LEU 92 3.231 -14.137 -8.602 661 HD11 LEU 92 1HD1 LEU 92 3.697 -12.536 -6.857 662 HD12 LEU 92 2HD1 LEU 92 5.186 -13.363 -7.313 663 HD13 LEU 92 3HD1 LEU 92 4.353 -13.805 -5.823 664 HD21 LEU 92 1HD2 LEU 92 4.806 -15.784 -8.620 665 HD22 LEU 92 2HD2 LEU 92 3.503 -16.647 -7.803 666 HD23 LEU 92 3HD2 LEU 92 4.821 -15.946 -6.864 667 H GLY 93 H GLY 93 0.245 -15.494 -9.111 668 HA2 GLY 93 1HA GLY 93 -0.397 -14.025 -11.301 669 HA3 GLY 93 2HA GLY 93 1.359 -14.059 -11.351 670 H GLU 94 H GLU 94 -1.199 -15.438 -12.700 671 HA GLU 94 HA GLU 94 -0.737 -18.211 -12.482 672 HB2 GLU 94 1HB GLU 94 -2.841 -17.407 -13.332 673 HB3 GLU 94 2HB GLU 94 -2.042 -16.575 -14.659 674 HG2 GLU 94 1HG GLU 94 -3.047 -18.552 -15.518 675 HG3 GLU 94 2HG GLU 94 -1.299 -18.781 -15.520 676 H GLY 95 H GLY 95 1.178 -19.102 -12.932 677 HA2 GLY 95 1HA GLY 95 2.230 -18.842 -15.626 678 HA3 GLY 95 2HA GLY 95 3.285 -18.247 -14.352 679 H GLY 96 H GLY 96 4.674 -19.973 -15.367 680 HA2 GLY 96 1HA GLY 96 4.133 -22.541 -14.010 681 HA3 GLY 96 2HA GLY 96 4.771 -22.478 -15.646 682 H SER 97 H SER 97 5.630 -23.056 -12.574 683 HA SER 97 HA SER 97 8.404 -22.959 -13.094 684 HB2 SER 97 1HB SER 97 8.150 -20.555 -12.769 685 HB3 SER 97 2HB SER 97 7.342 -20.826 -11.225 686 HG SER 97 HG SER 97 9.293 -20.691 -10.453 687 H GLY 98 H GLY 98 8.962 -24.790 -12.124 688 HA2 GLY 98 1HA GLY 98 8.651 -25.102 -9.287 689 HA3 GLY 98 2HA GLY 98 7.618 -26.192 -10.200 690 HA PRO 99 HA PRO 99 12.216 -27.596 -9.888 691 HB2 PRO 99 1HB PRO 99 12.182 -29.001 -7.565 692 HB3 PRO 99 2HB PRO 99 12.629 -27.293 -7.648 693 HG2 PRO 99 1HG PRO 99 10.019 -28.531 -6.864 694 HG3 PRO 99 2HG PRO 99 10.887 -27.182 -6.111 695 HD2 PRO 99 1HD PRO 99 8.788 -26.812 -7.781 696 HD3 PRO 99 2HD PRO 99 10.136 -25.662 -7.672 697 H SER 100 H SER 100 9.269 -29.234 -8.777 698 HA SER 100 HA SER 100 10.173 -31.713 -10.051 699 HB2 SER 100 1HB SER 100 9.385 -31.947 -7.757 700 HB3 SER 100 2HB SER 100 7.852 -31.184 -8.180 701 HG SER 100 HG SER 100 7.274 -33.191 -8.494 702 H SER 101 H SER 101 8.462 -32.984 -11.215 703 HA SER 101 HA SER 101 7.368 -31.367 -13.303 704 HB2 SER 101 1HB SER 101 8.280 -33.604 -13.758 705 HB3 SER 101 2HB SER 101 7.024 -34.325 -12.751 706 HG SER 101 HG SER 101 6.886 -33.347 -15.325 707 H GLY 102 H GLY 102 5.811 -30.029 -12.386 708 HA2 GLY 102 1HA GLY 102 3.417 -31.408 -11.337 709 HA3 GLY 102 2HA GLY 102 3.902 -29.786 -10.866 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -19.259 2.538 -5.565 2 HA2 GLY 1 1HA GLY 1 -21.465 1.366 -6.918 3 HA3 GLY 1 2HA GLY 1 -20.775 2.659 -7.887 4 H SER 2 H SER 2 -20.243 -0.505 -6.516 5 HA SER 2 HA SER 2 -17.594 -0.956 -7.159 6 HB2 SER 2 1HB SER 2 -18.157 -3.341 -7.220 7 HB3 SER 2 2HB SER 2 -18.986 -2.543 -5.883 8 HG SER 2 HG SER 2 -20.018 -3.631 -8.231 9 H SER 3 H SER 3 -16.467 -1.397 -8.972 10 HA SER 3 HA SER 3 -17.941 -1.805 -11.478 11 HB2 SER 3 1HB SER 3 -16.762 -0.129 -12.639 12 HB3 SER 3 2HB SER 3 -17.181 0.630 -11.104 13 HG SER 3 HG SER 3 -14.998 -0.182 -10.436 14 H GLY 4 H GLY 4 -16.547 -2.627 -13.242 15 HA2 GLY 4 1HA GLY 4 -13.943 -3.603 -12.790 16 HA3 GLY 4 2HA GLY 4 -15.095 -4.882 -12.434 17 H SER 5 H SER 5 -15.074 -6.263 -14.078 18 HA SER 5 HA SER 5 -15.851 -5.372 -16.700 19 HB2 SER 5 1HB SER 5 -13.265 -5.118 -16.477 20 HB3 SER 5 2HB SER 5 -13.252 -6.876 -16.612 21 HG SER 5 HG SER 5 -14.756 -5.446 -18.474 22 H SER 6 H SER 6 -16.118 -7.225 -18.211 23 HA SER 6 HA SER 6 -17.431 -9.374 -16.873 24 HB2 SER 6 1HB SER 6 -17.888 -8.274 -19.227 25 HB3 SER 6 2HB SER 6 -16.759 -9.507 -19.787 26 HG SER 6 HG SER 6 -18.194 -11.016 -19.392 27 H GLY 7 H GLY 7 -16.523 -11.146 -16.080 28 HA2 GLY 7 1HA GLY 7 -15.168 -13.136 -16.992 29 HA3 GLY 7 2HA GLY 7 -13.880 -11.946 -17.101 30 H ARG 8 H ARG 8 -13.012 -11.058 -15.165 31 HA ARG 8 HA ARG 8 -13.769 -12.395 -12.674 32 HB2 ARG 8 1HB ARG 8 -11.364 -12.820 -12.162 33 HB3 ARG 8 2HB ARG 8 -11.987 -13.782 -13.496 34 HG2 ARG 8 1HG ARG 8 -9.902 -13.088 -14.239 35 HG3 ARG 8 2HG ARG 8 -11.013 -11.954 -15.009 36 HD2 ARG 8 1HD ARG 8 -10.345 -10.199 -13.703 37 HD3 ARG 8 2HD ARG 8 -9.897 -11.237 -12.350 38 HE ARG 8 HE ARG 8 -8.175 -10.289 -14.369 39 HH11 ARG 8 1HH1 ARG 8 -8.864 -13.156 -12.518 40 HH12 ARG 8 2HH1 ARG 8 -7.245 -13.765 -12.613 41 HH21 ARG 8 1HH2 ARG 8 -6.039 -11.080 -14.502 42 HH22 ARG 8 2HH2 ARG 8 -5.639 -12.582 -13.741 43 H ALA 9 H ALA 9 -12.952 -11.331 -10.760 44 HA ALA 9 HA ALA 9 -13.109 -8.506 -10.939 45 HB1 ALA 9 1HB ALA 9 -12.312 -8.739 -8.458 46 HB2 ALA 9 2HB ALA 9 -13.920 -9.287 -8.935 47 HB3 ALA 9 3HB ALA 9 -12.614 -10.455 -8.736 48 HA PRO 10 HA PRO 10 -8.912 -7.393 -11.654 49 HB2 PRO 10 1HB PRO 10 -8.919 -4.908 -10.560 50 HB3 PRO 10 2HB PRO 10 -9.702 -5.282 -12.100 51 HG2 PRO 10 1HG PRO 10 -10.912 -5.018 -9.375 52 HG3 PRO 10 2HG PRO 10 -11.510 -4.406 -10.928 53 HD2 PRO 10 1HD PRO 10 -12.481 -6.657 -9.779 54 HD3 PRO 10 2HD PRO 10 -12.386 -6.448 -11.539 55 H SER 11 H SER 11 -6.971 -6.520 -10.473 56 HA SER 11 HA SER 11 -7.019 -7.273 -7.626 57 HB2 SER 11 1HB SER 11 -4.699 -8.179 -7.956 58 HB3 SER 11 2HB SER 11 -5.955 -9.093 -8.791 59 HG SER 11 HG SER 11 -5.154 -8.505 -10.661 60 H VAL 12 H VAL 12 -6.140 -5.839 -6.270 61 HA VAL 12 HA VAL 12 -4.948 -3.428 -7.405 62 HB VAL 12 HB VAL 12 -5.222 -2.454 -5.173 63 HG11 VAL 12 1HG1 VAL 12 -7.889 -3.361 -5.218 64 HG12 VAL 12 2HG1 VAL 12 -7.231 -1.885 -5.928 65 HG13 VAL 12 3HG1 VAL 12 -7.321 -3.362 -6.888 66 HG21 VAL 12 1HG2 VAL 12 -6.461 -3.745 -3.443 67 HG22 VAL 12 2HG2 VAL 12 -6.265 -5.187 -4.440 68 HG23 VAL 12 3HG2 VAL 12 -4.847 -4.372 -3.779 69 H ALA 13 H ALA 13 -4.203 -5.994 -5.086 70 HA ALA 13 HA ALA 13 -1.374 -5.182 -5.223 71 HB1 ALA 13 1HB ALA 13 -2.956 -6.100 -2.838 72 HB2 ALA 13 2HB ALA 13 -1.194 -6.147 -2.882 73 HB3 ALA 13 3HB ALA 13 -2.038 -4.607 -3.039 74 H THR 14 H THR 14 0.173 -6.908 -4.966 75 HA THR 14 HA THR 14 -0.911 -9.529 -5.771 76 HB THR 14 HB THR 14 1.791 -8.383 -6.503 77 HG1 THR 14 1HG THR 14 -0.401 -8.842 -8.250 78 HG21 THR 14 1HG2 THR 14 1.367 -10.379 -8.248 79 HG22 THR 14 2HG2 THR 14 0.492 -11.019 -6.856 80 HG23 THR 14 3HG2 THR 14 2.201 -10.607 -6.712 81 H VAL 15 H VAL 15 0.078 -11.398 -4.945 82 HA VAL 15 HA VAL 15 1.176 -11.074 -2.298 83 HB VAL 15 HB VAL 15 -0.463 -12.844 -2.752 84 HG11 VAL 15 1HG1 VAL 15 0.909 -13.256 -5.071 85 HG12 VAL 15 2HG1 VAL 15 1.436 -14.626 -4.091 86 HG13 VAL 15 3HG1 VAL 15 -0.283 -14.363 -4.391 87 HG21 VAL 15 1HG2 VAL 15 2.266 -13.852 -1.955 88 HG22 VAL 15 2HG2 VAL 15 1.059 -13.133 -0.889 89 HG23 VAL 15 3HG2 VAL 15 0.744 -14.692 -1.652 90 H GLY 16 H GLY 16 3.242 -11.348 -1.657 91 HA2 GLY 16 1HA GLY 16 5.483 -11.928 -1.748 92 HA3 GLY 16 2HA GLY 16 5.176 -12.735 -3.279 93 H SER 17 H SER 17 4.125 -10.605 -4.744 94 HA SER 17 HA SER 17 6.550 -9.258 -5.461 95 HB2 SER 17 1HB SER 17 4.615 -10.043 -7.007 96 HB3 SER 17 2HB SER 17 3.839 -8.529 -6.541 97 HG SER 17 HG SER 17 5.498 -8.785 -8.461 98 H ILE 18 H ILE 18 6.735 -6.917 -5.691 99 HA ILE 18 HA ILE 18 6.147 -5.570 -3.281 100 HB ILE 18 HB ILE 18 7.014 -4.397 -5.926 101 HG12 ILE 18 1HG1 ILE 18 8.557 -6.116 -5.047 102 HG13 ILE 18 2HG1 ILE 18 9.276 -4.510 -5.019 103 HG21 ILE 18 1HG2 ILE 18 6.491 -3.233 -3.281 104 HG22 ILE 18 2HG2 ILE 18 8.024 -2.767 -4.014 105 HG23 ILE 18 3HG2 ILE 18 6.511 -2.475 -4.873 106 HD11 ILE 18 1HD1 ILE 18 7.983 -4.949 -2.532 107 HD12 ILE 18 2HD1 ILE 18 8.993 -6.348 -2.899 108 HD13 ILE 18 3HD1 ILE 18 9.700 -4.733 -2.866 109 H CYS 19 H CYS 19 4.711 -3.915 -2.815 110 HA CYS 19 HA CYS 19 2.463 -3.644 -4.700 111 HB2 CYS 19 1HB CYS 19 1.843 -4.798 -2.624 112 HB3 CYS 19 2HB CYS 19 2.439 -3.437 -1.682 113 HG CYS 19 HG CYS 19 0.427 -1.769 -2.123 114 H ASP 20 H ASP 20 3.014 -1.813 -5.787 115 HA ASP 20 HA ASP 20 4.027 0.512 -4.421 116 HB2 ASP 20 1HB ASP 20 3.031 0.357 -7.267 117 HB3 ASP 20 2HB ASP 20 4.149 1.533 -6.582 118 H LEU 21 H LEU 21 2.805 1.922 -3.374 119 HA LEU 21 HA LEU 21 -0.067 1.977 -3.824 120 HB2 LEU 21 1HB LEU 21 1.206 2.010 -1.549 121 HB3 LEU 21 2HB LEU 21 1.363 3.735 -1.875 122 HG LEU 21 HG LEU 21 -1.088 3.925 -1.954 123 HD11 LEU 21 1HD1 LEU 21 -2.130 1.739 -0.772 124 HD12 LEU 21 2HD1 LEU 21 -0.885 0.995 -1.773 125 HD13 LEU 21 3HD1 LEU 21 -2.124 2.008 -2.515 126 HD21 LEU 21 1HD2 LEU 21 0.540 3.584 0.280 127 HD22 LEU 21 2HD2 LEU 21 -0.908 2.635 0.621 128 HD23 LEU 21 3HD2 LEU 21 -1.049 4.349 0.227 129 H ASN 22 H ASN 22 -1.147 3.548 -4.852 130 HA ASN 22 HA ASN 22 0.411 5.707 -6.052 131 HB2 ASN 22 1HB ASN 22 -2.360 4.637 -6.600 132 HB3 ASN 22 2HB ASN 22 -1.714 6.075 -7.385 133 HD21 ASN 22 1HD2 ASN 22 -1.431 2.620 -7.045 134 HD22 ASN 22 2HD2 ASN 22 -0.483 2.359 -8.466 135 H LEU 23 H LEU 23 0.632 7.349 -4.633 136 HA LEU 23 HA LEU 23 -1.843 8.503 -3.529 137 HB2 LEU 23 1HB LEU 23 0.801 8.013 -2.232 138 HB3 LEU 23 2HB LEU 23 -0.182 9.380 -1.711 139 HG LEU 23 HG LEU 23 -1.285 6.588 -1.755 140 HD11 LEU 23 1HD1 LEU 23 0.274 6.044 -0.239 141 HD12 LEU 23 2HD1 LEU 23 -0.692 7.030 0.859 142 HD13 LEU 23 3HD1 LEU 23 0.718 7.725 0.059 143 HD21 LEU 23 1HD2 LEU 23 -2.338 9.129 -1.187 144 HD22 LEU 23 2HD2 LEU 23 -2.167 8.306 0.363 145 HD23 LEU 23 3HD2 LEU 23 -3.103 7.560 -0.934 146 H LYS 24 H LYS 24 -2.172 10.610 -3.914 147 HA LYS 24 HA LYS 24 0.083 12.225 -4.893 148 HB2 LYS 24 1HB LYS 24 -1.568 13.315 -6.473 149 HB3 LYS 24 2HB LYS 24 -1.097 11.669 -6.876 150 HG2 LYS 24 1HG LYS 24 -3.163 10.797 -6.100 151 HG3 LYS 24 2HG LYS 24 -3.614 12.342 -5.375 152 HD2 LYS 24 1HD LYS 24 -3.028 12.282 -8.290 153 HD3 LYS 24 2HD LYS 24 -4.548 11.576 -7.735 154 HE2 LYS 24 1HE LYS 24 -3.625 14.351 -7.011 155 HE3 LYS 24 2HE LYS 24 -4.671 13.997 -8.385 156 HZ1 LYS 24 1HZ LYS 24 -5.890 12.729 -6.321 157 HZ2 LYS 24 2HZ LYS 24 -6.330 14.240 -6.941 158 HZ3 LYS 24 3HZ LYS 24 -5.313 14.142 -5.593 159 H ILE 25 H ILE 25 0.155 13.067 -2.732 160 HA ILE 25 HA ILE 25 -2.009 14.992 -2.181 161 HB ILE 25 HB ILE 25 -0.238 13.781 -0.066 162 HG12 ILE 25 1HG1 ILE 25 -3.078 12.923 -0.427 163 HG13 ILE 25 2HG1 ILE 25 -1.844 12.196 -1.450 164 HG21 ILE 25 1HG2 ILE 25 -1.257 15.192 1.310 165 HG22 ILE 25 2HG2 ILE 25 -2.053 15.924 -0.082 166 HG23 ILE 25 3HG2 ILE 25 -2.840 14.611 0.794 167 HD11 ILE 25 1HD1 ILE 25 -0.781 12.053 1.101 168 HD12 ILE 25 2HD1 ILE 25 -2.493 11.682 1.313 169 HD13 ILE 25 3HD1 ILE 25 -1.519 10.739 0.184 170 HA PRO 26 HA PRO 26 1.653 17.595 -2.928 171 HB2 PRO 26 1HB PRO 26 0.204 19.778 -3.641 172 HB3 PRO 26 2HB PRO 26 0.584 18.467 -4.765 173 HG2 PRO 26 1HG PRO 26 -1.933 18.973 -3.225 174 HG3 PRO 26 2HG PRO 26 -1.737 18.470 -4.914 175 HD2 PRO 26 1HD PRO 26 -2.352 16.725 -2.937 176 HD3 PRO 26 2HD PRO 26 -1.378 16.265 -4.347 177 H GLU 27 H GLU 27 -0.964 17.739 -0.741 178 HA GLU 27 HA GLU 27 -0.144 20.180 0.565 179 HB2 GLU 27 1HB GLU 27 -2.453 19.805 0.702 180 HB3 GLU 27 2HB GLU 27 -2.248 18.105 1.101 181 HG2 GLU 27 1HG GLU 27 -1.769 18.540 3.312 182 HG3 GLU 27 2HG GLU 27 -1.258 20.195 2.984 183 H ILE 28 H ILE 28 0.744 16.901 0.677 184 HA ILE 28 HA ILE 28 2.271 17.393 3.143 185 HB ILE 28 HB ILE 28 0.857 14.819 2.437 186 HG12 ILE 28 1HG1 ILE 28 0.441 16.615 4.830 187 HG13 ILE 28 2HG1 ILE 28 -0.537 16.714 3.370 188 HG21 ILE 28 1HG2 ILE 28 2.636 13.949 3.527 189 HG22 ILE 28 2HG2 ILE 28 3.018 15.467 4.338 190 HG23 ILE 28 3HG2 ILE 28 1.718 14.444 4.949 191 HD11 ILE 28 1HD1 ILE 28 -1.221 15.264 5.499 192 HD12 ILE 28 2HD1 ILE 28 -1.681 14.832 3.851 193 HD13 ILE 28 3HD1 ILE 28 -0.296 14.051 4.614 194 H ASN 29 H ASN 29 4.369 16.808 3.079 195 HA ASN 29 HA ASN 29 5.357 15.673 0.568 196 HB2 ASN 29 1HB ASN 29 6.554 17.387 2.708 197 HB3 ASN 29 2HB ASN 29 7.620 16.393 1.719 198 HD21 ASN 29 1HD2 ASN 29 8.505 17.550 0.181 199 HD22 ASN 29 2HD2 ASN 29 7.722 18.769 -0.761 200 H SER 30 H SER 30 6.832 13.944 0.526 201 HA SER 30 HA SER 30 6.281 11.826 2.263 202 HB2 SER 30 1HB SER 30 8.212 10.696 1.190 203 HB3 SER 30 2HB SER 30 7.141 11.454 0.011 204 HG SER 30 HG SER 30 9.305 11.928 -0.460 205 H SER 31 H SER 31 8.232 14.532 2.744 206 HA SER 31 HA SER 31 10.258 13.406 4.386 207 HB2 SER 31 1HB SER 31 10.679 15.736 5.091 208 HB3 SER 31 2HB SER 31 10.538 15.600 3.338 209 HG SER 31 HG SER 31 8.153 16.090 3.968 210 H ASP 32 H ASP 32 7.033 14.646 4.989 211 HA ASP 32 HA ASP 32 7.349 13.992 7.844 212 HB2 ASP 32 1HB ASP 32 5.487 15.924 6.457 213 HB3 ASP 32 2HB ASP 32 5.311 15.460 8.147 214 H MET 33 H MET 33 6.715 12.172 5.572 215 HA MET 33 HA MET 33 3.986 11.358 6.283 216 HB2 MET 33 1HB MET 33 5.755 10.816 3.920 217 HB3 MET 33 2HB MET 33 4.406 9.747 4.281 218 HG2 MET 33 1HG MET 33 2.864 11.627 4.127 219 HG3 MET 33 2HG MET 33 4.212 12.709 3.786 220 HE1 MET 33 1HE MET 33 2.783 9.292 2.740 221 HE2 MET 33 2HE MET 33 3.102 9.212 1.008 222 HE3 MET 33 3HE MET 33 4.434 9.084 2.157 223 H SER 34 H SER 34 3.536 9.136 6.749 224 HA SER 34 HA SER 34 5.756 7.373 7.350 225 HB2 SER 34 1HB SER 34 3.872 8.245 9.554 226 HB3 SER 34 2HB SER 34 5.188 7.080 9.700 227 HG SER 34 HG SER 34 6.655 8.704 9.443 228 H ALA 35 H ALA 35 5.109 5.580 6.363 229 HA ALA 35 HA ALA 35 2.278 4.802 6.534 230 HB1 ALA 35 1HB ALA 35 3.852 3.227 4.692 231 HB2 ALA 35 2HB ALA 35 2.399 4.184 4.401 232 HB3 ALA 35 3HB ALA 35 3.985 4.952 4.348 233 H HIS 36 H HIS 36 1.728 2.614 6.973 234 HA HIS 36 HA HIS 36 3.815 0.863 7.999 235 HB2 HIS 36 1HB HIS 36 1.463 1.684 9.715 236 HB3 HIS 36 2HB HIS 36 2.722 0.532 10.152 237 HD1 HIS 36 1HD HIS 36 1.886 4.086 10.257 238 HD2 HIS 36 2HD HIS 36 5.329 1.775 10.505 239 HE1 HIS 36 1HE HIS 36 3.641 5.598 11.235 240 HE2 HIS 36 2HE HIS 36 5.738 4.203 11.296 241 H VAL 37 H VAL 37 3.436 -1.160 7.381 242 HA VAL 37 HA VAL 37 0.867 -1.823 6.196 243 HB VAL 37 HB VAL 37 3.470 -3.345 6.333 244 HG11 VAL 37 1HG1 VAL 37 0.792 -4.130 5.231 245 HG12 VAL 37 2HG1 VAL 37 2.290 -4.815 4.597 246 HG13 VAL 37 3HG1 VAL 37 1.863 -5.043 6.293 247 HG21 VAL 37 1HG2 VAL 37 3.299 -1.322 4.844 248 HG22 VAL 37 2HG2 VAL 37 3.702 -2.831 4.024 249 HG23 VAL 37 3HG2 VAL 37 2.062 -2.191 3.935 250 H THR 38 H THR 38 -0.631 -2.249 7.729 251 HA THR 38 HA THR 38 0.032 -3.878 10.039 252 HB THR 38 HB THR 38 -2.749 -2.974 9.352 253 HG1 THR 38 1HG THR 38 -1.053 -1.339 10.889 254 HG21 THR 38 1HG2 THR 38 -3.202 -3.261 11.583 255 HG22 THR 38 2HG2 THR 38 -1.541 -2.927 12.075 256 HG23 THR 38 3HG2 THR 38 -1.954 -4.488 11.367 257 H SER 39 H SER 39 -0.239 -6.006 10.151 258 HA SER 39 HA SER 39 -1.490 -7.400 7.933 259 HB2 SER 39 1HB SER 39 0.245 -8.208 10.239 260 HB3 SER 39 2HB SER 39 -0.705 -9.435 9.400 261 HG SER 39 HG SER 39 1.083 -9.405 8.217 262 HA PRO 40 HA PRO 40 -5.310 -8.382 9.852 263 HB2 PRO 40 1HB PRO 40 -5.730 -10.931 9.016 264 HB3 PRO 40 2HB PRO 40 -5.858 -9.534 7.941 265 HG2 PRO 40 1HG PRO 40 -3.587 -11.454 8.290 266 HG3 PRO 40 2HG PRO 40 -4.265 -10.783 6.795 267 HD2 PRO 40 1HD PRO 40 -1.996 -9.828 7.923 268 HD3 PRO 40 2HD PRO 40 -3.123 -8.794 7.021 269 H SER 41 H SER 41 -2.469 -10.040 10.695 270 HA SER 41 HA SER 41 -3.746 -11.691 12.726 271 HB2 SER 41 1HB SER 41 -1.635 -12.730 13.030 272 HB3 SER 41 2HB SER 41 -1.771 -12.458 11.293 273 HG SER 41 HG SER 41 -0.334 -10.821 11.422 274 H GLY 42 H GLY 42 -2.187 -8.641 12.415 275 HA2 GLY 42 1HA GLY 42 -2.630 -7.072 14.261 276 HA3 GLY 42 2HA GLY 42 -2.192 -8.373 15.359 277 H ARG 43 H ARG 43 -0.282 -8.204 12.544 278 HA ARG 43 HA ARG 43 1.882 -6.949 14.097 279 HB2 ARG 43 1HB ARG 43 2.257 -9.319 13.497 280 HB3 ARG 43 2HB ARG 43 2.096 -8.899 11.796 281 HG2 ARG 43 1HG ARG 43 4.040 -7.299 12.176 282 HG3 ARG 43 2HG ARG 43 4.281 -8.144 13.706 283 HD2 ARG 43 1HD ARG 43 4.329 -9.358 10.946 284 HD3 ARG 43 2HD ARG 43 5.715 -9.094 12.004 285 HE ARG 43 HE ARG 43 3.851 -10.689 13.355 286 HH11 ARG 43 1HH1 ARG 43 6.010 -10.849 10.628 287 HH12 ARG 43 2HH1 ARG 43 6.250 -12.560 10.753 288 HH21 ARG 43 1HH2 ARG 43 4.159 -12.942 13.529 289 HH22 ARG 43 2HH2 ARG 43 5.196 -13.750 12.403 290 H VAL 44 H VAL 44 2.436 -4.980 13.467 291 HA VAL 44 HA VAL 44 2.040 -4.239 10.641 292 HB VAL 44 HB VAL 44 0.543 -2.939 11.982 293 HG11 VAL 44 1HG1 VAL 44 1.767 -3.305 14.128 294 HG12 VAL 44 2HG1 VAL 44 2.895 -2.040 13.638 295 HG13 VAL 44 3HG1 VAL 44 1.193 -1.655 13.892 296 HG21 VAL 44 1HG2 VAL 44 2.438 -0.774 11.780 297 HG22 VAL 44 2HG2 VAL 44 2.533 -1.831 10.372 298 HG23 VAL 44 3HG2 VAL 44 0.994 -1.095 10.819 299 H THR 45 H THR 45 3.675 -3.214 9.563 300 HA THR 45 HA THR 45 6.189 -2.793 11.042 301 HB THR 45 HB THR 45 7.282 -3.411 8.759 302 HG1 THR 45 1HG THR 45 5.009 -5.073 8.524 303 HG21 THR 45 1HG2 THR 45 7.762 -5.508 9.590 304 HG22 THR 45 2HG2 THR 45 6.109 -5.785 10.141 305 HG23 THR 45 3HG2 THR 45 7.169 -4.702 11.042 306 H GLU 46 H GLU 46 7.783 -1.584 9.398 307 HA GLU 46 HA GLU 46 6.353 0.860 8.658 308 HB2 GLU 46 1HB GLU 46 8.415 0.797 10.209 309 HB3 GLU 46 2HB GLU 46 9.342 0.543 8.738 310 HG2 GLU 46 1HG GLU 46 8.040 2.662 7.919 311 HG3 GLU 46 2HG GLU 46 7.849 2.949 9.647 312 H ALA 47 H ALA 47 6.320 1.678 6.623 313 HA ALA 47 HA ALA 47 7.418 -0.044 4.509 314 HB1 ALA 47 1HB ALA 47 5.567 2.026 3.641 315 HB2 ALA 47 2HB ALA 47 5.539 0.286 3.351 316 HB3 ALA 47 3HB ALA 47 4.871 0.942 4.845 317 H GLU 48 H GLU 48 8.154 1.074 2.516 318 HA GLU 48 HA GLU 48 9.702 3.466 3.236 319 HB2 GLU 48 1HB GLU 48 11.079 1.595 2.559 320 HB3 GLU 48 2HB GLU 48 10.147 1.395 1.082 321 HG2 GLU 48 1HG GLU 48 11.025 3.340 0.127 322 HG3 GLU 48 2HG GLU 48 11.626 3.932 1.675 323 H ILE 49 H ILE 49 9.555 5.325 2.079 324 HA ILE 49 HA ILE 49 7.490 5.398 -0.018 325 HB ILE 49 HB ILE 49 8.505 7.726 1.612 326 HG12 ILE 49 1HG1 ILE 49 5.799 6.522 2.009 327 HG13 ILE 49 2HG1 ILE 49 7.185 5.747 2.768 328 HG21 ILE 49 1HG2 ILE 49 5.880 7.661 0.210 329 HG22 ILE 49 2HG2 ILE 49 6.931 9.028 0.577 330 HG23 ILE 49 3HG2 ILE 49 7.343 7.928 -0.738 331 HD11 ILE 49 1HD1 ILE 49 7.690 8.153 3.630 332 HD12 ILE 49 2HD1 ILE 49 5.977 8.412 3.299 333 HD13 ILE 49 3HD1 ILE 49 6.477 7.153 4.427 334 H VAL 50 H VAL 50 8.560 5.133 -1.904 335 HA VAL 50 HA VAL 50 11.139 6.237 -2.425 336 HB VAL 50 HB VAL 50 9.085 5.077 -4.311 337 HG11 VAL 50 1HG1 VAL 50 10.676 6.651 -5.404 338 HG12 VAL 50 2HG1 VAL 50 12.000 5.623 -4.851 339 HG13 VAL 50 3HG1 VAL 50 10.803 4.989 -5.981 340 HG21 VAL 50 1HG2 VAL 50 11.153 3.940 -2.570 341 HG22 VAL 50 2HG2 VAL 50 9.711 3.193 -3.258 342 HG23 VAL 50 3HG2 VAL 50 11.176 3.339 -4.228 343 HA PRO 51 HA PRO 51 9.893 10.333 -3.534 344 HB2 PRO 51 1HB PRO 51 12.206 11.090 -4.737 345 HB3 PRO 51 2HB PRO 51 12.034 10.957 -2.983 346 HG2 PRO 51 1HG PRO 51 13.239 9.019 -4.920 347 HG3 PRO 51 2HG PRO 51 13.829 9.519 -3.324 348 HD2 PRO 51 1HD PRO 51 12.513 7.187 -3.726 349 HD3 PRO 51 2HD PRO 51 12.392 8.102 -2.210 350 H MET 52 H MET 52 8.302 9.961 -5.092 351 HA MET 52 HA MET 52 8.896 9.082 -7.736 352 HB2 MET 52 1HB MET 52 6.454 10.481 -6.631 353 HB3 MET 52 2HB MET 52 6.559 9.756 -8.230 354 HG2 MET 52 1HG MET 52 7.203 7.608 -6.908 355 HG3 MET 52 2HG MET 52 6.435 8.443 -5.559 356 HE1 MET 52 1HE MET 52 4.856 5.758 -8.391 357 HE2 MET 52 2HE MET 52 5.014 7.120 -9.500 358 HE3 MET 52 3HE MET 52 6.402 6.591 -8.548 359 H GLY 53 H GLY 53 7.744 12.251 -6.546 360 HA2 GLY 53 1HA GLY 53 9.584 13.623 -8.311 361 HA3 GLY 53 2HA GLY 53 7.893 13.776 -8.764 362 H LYS 54 H LYS 54 6.588 15.162 -7.664 363 HA LYS 54 HA LYS 54 7.874 16.725 -5.523 364 HB2 LYS 54 1HB LYS 54 6.127 17.481 -7.809 365 HB3 LYS 54 2HB LYS 54 5.924 18.376 -6.309 366 HG2 LYS 54 1HG LYS 54 7.455 19.607 -7.598 367 HG3 LYS 54 2HG LYS 54 8.415 18.788 -6.364 368 HD2 LYS 54 1HD LYS 54 9.137 17.130 -7.933 369 HD3 LYS 54 2HD LYS 54 8.017 17.729 -9.159 370 HE2 LYS 54 1HE LYS 54 9.255 19.895 -9.121 371 HE3 LYS 54 2HE LYS 54 10.434 19.147 -8.045 372 HZ1 LYS 54 1HZ LYS 54 9.911 17.627 -10.433 373 HZ2 LYS 54 2HZ LYS 54 11.386 18.063 -9.730 374 HZ3 LYS 54 3HZ LYS 54 10.576 19.153 -10.740 375 H ASN 55 H ASN 55 4.573 15.972 -6.660 376 HA ASN 55 HA ASN 55 3.790 15.644 -3.839 377 HB2 ASN 55 1HB ASN 55 1.456 16.167 -4.685 378 HB3 ASN 55 2HB ASN 55 2.599 17.506 -4.722 379 HD21 ASN 55 1HD2 ASN 55 2.475 18.674 -6.481 380 HD22 ASN 55 2HD2 ASN 55 2.054 18.110 -8.059 381 H SER 56 H SER 56 4.952 13.513 -5.174 382 HA SER 56 HA SER 56 2.666 11.678 -5.381 383 HB2 SER 56 1HB SER 56 5.046 11.821 -7.240 384 HB3 SER 56 2HB SER 56 3.960 10.434 -7.162 385 HG SER 56 HG SER 56 2.850 11.537 -8.568 386 H HIS 57 H HIS 57 2.885 9.802 -4.295 387 HA HIS 57 HA HIS 57 5.533 9.170 -3.170 388 HB2 HIS 57 1HB HIS 57 3.042 8.511 -1.651 389 HB3 HIS 57 2HB HIS 57 4.672 8.801 -1.051 390 HD1 HIS 57 1HD HIS 57 5.422 11.328 -0.882 391 HD2 HIS 57 2HD HIS 57 1.401 10.723 -1.735 392 HE1 HIS 57 1HE HIS 57 4.302 13.537 -0.445 393 HE2 HIS 57 2HE HIS 57 1.857 13.123 -0.885 394 H CYS 58 H CYS 58 6.123 7.038 -3.118 395 HA CYS 58 HA CYS 58 4.190 5.090 -4.182 396 HB2 CYS 58 1HB CYS 58 5.907 5.868 -5.880 397 HB3 CYS 58 2HB CYS 58 7.128 5.097 -4.875 398 HG CYS 58 HG CYS 58 5.694 3.743 -7.305 399 H VAL 59 H VAL 59 3.752 3.927 -2.395 400 HA VAL 59 HA VAL 59 5.831 3.223 -0.509 401 HB VAL 59 HB VAL 59 2.917 2.428 -0.591 402 HG11 VAL 59 1HG1 VAL 59 4.610 0.927 0.649 403 HG12 VAL 59 2HG1 VAL 59 4.698 2.251 1.812 404 HG13 VAL 59 3HG1 VAL 59 3.158 1.448 1.503 405 HG21 VAL 59 1HG2 VAL 59 4.352 4.782 0.413 406 HG22 VAL 59 2HG2 VAL 59 2.653 4.586 -0.016 407 HG23 VAL 59 3HG2 VAL 59 3.230 4.056 1.564 408 H ARG 60 H ARG 60 7.081 1.495 -0.698 409 HA ARG 60 HA ARG 60 6.120 -0.767 -2.323 410 HB2 ARG 60 1HB ARG 60 8.796 0.512 -2.029 411 HB3 ARG 60 2HB ARG 60 8.740 -1.223 -2.308 412 HG2 ARG 60 1HG ARG 60 7.263 -0.712 -4.303 413 HG3 ARG 60 2HG ARG 60 7.726 0.976 -4.079 414 HD2 ARG 60 1HD ARG 60 9.556 -1.355 -4.629 415 HD3 ARG 60 2HD ARG 60 9.170 -0.028 -5.723 416 HE ARG 60 HE ARG 60 10.322 0.870 -3.264 417 HH11 ARG 60 1HH1 ARG 60 11.039 -0.429 -6.413 418 HH12 ARG 60 2HH1 ARG 60 12.634 0.244 -6.471 419 HH21 ARG 60 1HH2 ARG 60 12.420 1.762 -3.329 420 HH22 ARG 60 2HH2 ARG 60 13.419 1.489 -4.716 421 H PHE 61 H PHE 61 5.789 -2.632 -1.313 422 HA PHE 61 HA PHE 61 7.410 -3.433 0.940 423 HB2 PHE 61 1HB PHE 61 5.539 -3.748 2.481 424 HB3 PHE 61 2HB PHE 61 5.678 -2.055 2.020 425 HD1 PHE 61 1HD PHE 61 3.776 -5.164 1.399 426 HD2 PHE 61 2HD PHE 61 3.897 -0.929 0.985 427 HE1 PHE 61 1HE PHE 61 1.418 -5.169 0.698 428 HE2 PHE 61 2HE PHE 61 1.539 -0.927 0.283 429 HZ PHE 61 HZ PHE 61 0.296 -3.048 0.140 430 H VAL 62 H VAL 62 6.813 -5.650 1.696 431 HA VAL 62 HA VAL 62 5.793 -7.232 -0.571 432 HB VAL 62 HB VAL 62 7.676 -8.168 1.596 433 HG11 VAL 62 1HG1 VAL 62 8.089 -9.983 -0.149 434 HG12 VAL 62 2HG1 VAL 62 6.559 -10.041 0.729 435 HG13 VAL 62 3HG1 VAL 62 6.608 -9.414 -0.919 436 HG21 VAL 62 1HG2 VAL 62 9.058 -6.732 0.474 437 HG22 VAL 62 2HG2 VAL 62 9.250 -8.174 -0.522 438 HG23 VAL 62 3HG2 VAL 62 8.168 -6.882 -1.041 439 HA PRO 63 HA PRO 63 2.546 -7.989 2.501 440 HB2 PRO 63 1HB PRO 63 0.740 -8.872 0.677 441 HB3 PRO 63 2HB PRO 63 1.036 -7.156 0.983 442 HG2 PRO 63 1HG PRO 63 2.086 -8.898 -1.214 443 HG3 PRO 63 2HG PRO 63 1.461 -7.241 -1.302 444 HD2 PRO 63 1HD PRO 63 4.111 -7.801 -1.283 445 HD3 PRO 63 2HD PRO 63 3.442 -6.322 -0.564 446 H GLN 64 H GLN 64 0.963 -10.017 2.554 447 HA GLN 64 HA GLN 64 2.678 -12.389 2.240 448 HB2 GLN 64 1HB GLN 64 0.555 -11.699 4.259 449 HB3 GLN 64 2HB GLN 64 1.099 -13.354 4.021 450 HG2 GLN 64 1HG GLN 64 2.806 -11.019 4.853 451 HG3 GLN 64 2HG GLN 64 2.249 -12.334 5.887 452 HE21 GLN 64 1HE2 GLN 64 4.485 -11.360 3.441 453 HE22 GLN 64 2HE2 GLN 64 5.472 -12.777 3.480 454 H GLU 65 H GLU 65 1.294 -14.478 2.140 455 HA GLU 65 HA GLU 65 -0.488 -14.162 -0.137 456 HB2 GLU 65 1HB GLU 65 -0.290 -16.542 -0.422 457 HB3 GLU 65 2HB GLU 65 1.314 -15.882 -0.133 458 HG2 GLU 65 1HG GLU 65 1.074 -16.555 2.258 459 HG3 GLU 65 2HG GLU 65 -0.421 -17.377 1.814 460 H MET 66 H MET 66 -2.641 -14.444 -0.107 461 HA MET 66 HA MET 66 -4.753 -14.608 0.724 462 HB2 MET 66 1HB MET 66 -3.809 -16.732 2.615 463 HB3 MET 66 2HB MET 66 -5.317 -16.639 1.715 464 HG2 MET 66 1HG MET 66 -2.608 -17.170 0.518 465 HG3 MET 66 2HG MET 66 -3.826 -18.391 0.879 466 HE1 MET 66 1HE MET 66 -3.352 -15.220 -2.041 467 HE2 MET 66 2HE MET 66 -2.187 -16.305 -1.283 468 HE3 MET 66 3HE MET 66 -2.913 -16.734 -2.833 469 H GLY 67 H GLY 67 -3.603 -12.498 1.811 470 HA2 GLY 67 1HA GLY 67 -4.722 -12.464 4.501 471 HA3 GLY 67 2HA GLY 67 -3.009 -12.096 4.372 472 H VAL 68 H VAL 68 -5.656 -10.572 4.986 473 HA VAL 68 HA VAL 68 -5.465 -8.426 3.021 474 HB VAL 68 HB VAL 68 -7.314 -8.726 5.392 475 HG11 VAL 68 1HG1 VAL 68 -6.809 -6.377 4.600 476 HG12 VAL 68 2HG1 VAL 68 -7.597 -6.819 3.084 477 HG13 VAL 68 3HG1 VAL 68 -8.508 -6.851 4.594 478 HG21 VAL 68 1HG2 VAL 68 -8.207 -8.914 2.557 479 HG22 VAL 68 2HG2 VAL 68 -7.422 -10.311 3.294 480 HG23 VAL 68 3HG2 VAL 68 -8.893 -9.648 4.007 481 H HIS 69 H HIS 69 -4.051 -6.845 3.310 482 HA HIS 69 HA HIS 69 -3.203 -6.174 6.043 483 HB2 HIS 69 1HB HIS 69 -1.852 -5.444 3.438 484 HB3 HIS 69 2HB HIS 69 -1.203 -5.223 5.061 485 HD1 HIS 69 1HD HIS 69 -2.400 -8.137 2.916 486 HD2 HIS 69 2HD HIS 69 0.472 -7.215 5.773 487 HE1 HIS 69 1HE HIS 69 -1.005 -10.214 3.161 488 HE2 HIS 69 2HE HIS 69 0.673 -9.661 4.957 489 H THR 70 H THR 70 -2.780 -3.882 6.506 490 HA THR 70 HA THR 70 -4.492 -2.057 4.957 491 HB THR 70 HB THR 70 -4.356 -2.058 7.975 492 HG1 THR 70 1HG THR 70 -6.548 -2.891 7.760 493 HG21 THR 70 1HG2 THR 70 -5.694 -0.389 5.916 494 HG22 THR 70 2HG2 THR 70 -5.036 0.064 7.488 495 HG23 THR 70 3HG2 THR 70 -6.600 -0.744 7.387 496 H VAL 71 H VAL 71 -3.562 -0.171 4.461 497 HA VAL 71 HA VAL 71 -0.890 0.370 5.482 498 HB VAL 71 HB VAL 71 -2.400 1.947 3.400 499 HG11 VAL 71 1HG1 VAL 71 -0.447 3.019 2.943 500 HG12 VAL 71 2HG1 VAL 71 -0.169 2.675 4.651 501 HG13 VAL 71 3HG1 VAL 71 0.549 1.643 3.414 502 HG21 VAL 71 1HG2 VAL 71 -0.411 0.203 2.295 503 HG22 VAL 71 2HG2 VAL 71 -1.583 -0.737 3.219 504 HG23 VAL 71 3HG2 VAL 71 -2.130 0.316 1.914 505 H SER 72 H SER 72 -0.864 1.380 7.397 506 HA SER 72 HA SER 72 -2.856 3.402 8.029 507 HB2 SER 72 1HB SER 72 -0.546 2.427 9.724 508 HB3 SER 72 2HB SER 72 -1.940 3.359 10.271 509 HG SER 72 HG SER 72 -2.736 1.449 10.664 510 H VAL 73 H VAL 73 -2.483 5.304 7.056 511 HA VAL 73 HA VAL 73 0.249 6.399 7.134 512 HB VAL 73 HB VAL 73 -2.065 7.168 5.349 513 HG11 VAL 73 1HG1 VAL 73 -0.480 9.020 6.021 514 HG12 VAL 73 2HG1 VAL 73 0.779 8.132 5.160 515 HG13 VAL 73 3HG1 VAL 73 -0.636 8.726 4.290 516 HG21 VAL 73 1HG2 VAL 73 -1.230 5.825 3.747 517 HG22 VAL 73 2HG2 VAL 73 0.444 6.156 4.195 518 HG23 VAL 73 3HG2 VAL 73 -0.495 4.975 5.107 519 H LYS 74 H LYS 74 0.494 7.636 8.885 520 HA LYS 74 HA LYS 74 -1.681 9.489 9.603 521 HB2 LYS 74 1HB LYS 74 0.300 7.966 11.234 522 HB3 LYS 74 2HB LYS 74 -0.231 9.536 11.824 523 HG2 LYS 74 1HG LYS 74 -2.617 8.532 11.331 524 HG3 LYS 74 2HG LYS 74 -1.753 7.004 11.524 525 HD2 LYS 74 1HD LYS 74 -0.998 7.672 13.726 526 HD3 LYS 74 2HD LYS 74 -1.742 9.260 13.530 527 HE2 LYS 74 1HE LYS 74 -3.368 8.204 14.742 528 HE3 LYS 74 2HE LYS 74 -3.906 7.819 13.107 529 HZ1 LYS 74 1HZ LYS 74 -2.075 5.982 14.488 530 HZ2 LYS 74 2HZ LYS 74 -3.230 5.651 13.297 531 HZ3 LYS 74 3HZ LYS 74 -3.720 5.960 14.887 532 H TYR 75 H TYR 75 -1.120 11.624 10.248 533 HA TYR 75 HA TYR 75 1.583 12.506 9.517 534 HB2 TYR 75 1HB TYR 75 0.193 12.933 7.566 535 HB3 TYR 75 2HB TYR 75 -0.997 13.765 8.560 536 HD1 TYR 75 1HD TYR 75 2.318 13.994 7.009 537 HD2 TYR 75 2HD TYR 75 -0.600 16.020 9.352 538 HE1 TYR 75 1HE TYR 75 3.494 16.119 6.625 539 HE2 TYR 75 2HE TYR 75 0.568 18.152 8.973 540 HH TYR 75 HH TYR 75 2.288 18.964 6.898 541 H ARG 76 H ARG 76 2.343 13.215 11.409 542 HA ARG 76 HA ARG 76 2.592 14.462 13.295 543 HB2 ARG 76 1HB ARG 76 0.630 16.067 11.719 544 HB3 ARG 76 2HB ARG 76 0.914 16.506 13.398 545 HG2 ARG 76 1HG ARG 76 3.219 16.914 12.986 546 HG3 ARG 76 2HG ARG 76 3.113 16.215 11.369 547 HD2 ARG 76 1HD ARG 76 1.322 18.072 10.993 548 HD3 ARG 76 2HD ARG 76 2.103 18.841 12.374 549 HE ARG 76 HE ARG 76 3.118 18.657 9.713 550 HH11 ARG 76 1HH1 ARG 76 4.036 18.810 13.067 551 HH12 ARG 76 2HH1 ARG 76 5.593 19.497 12.745 552 HH21 ARG 76 1HH2 ARG 76 5.166 19.562 9.275 553 HH22 ARG 76 2HH2 ARG 76 6.235 19.925 10.588 554 H GLY 77 H GLY 77 0.639 12.218 13.128 555 HA2 GLY 77 1HA GLY 77 -0.514 11.165 14.869 556 HA3 GLY 77 2HA GLY 77 -0.618 12.708 15.704 557 H GLN 78 H GLN 78 -1.589 12.122 12.371 558 HA GLN 78 HA GLN 78 -4.396 12.025 13.080 559 HB2 GLN 78 1HB GLN 78 -5.067 14.055 12.259 560 HB3 GLN 78 2HB GLN 78 -3.481 14.499 12.877 561 HG2 GLN 78 1HG GLN 78 -2.638 13.989 10.510 562 HG3 GLN 78 2HG GLN 78 -4.336 14.059 10.044 563 HE21 GLN 78 1HE2 GLN 78 -1.615 15.860 11.249 564 HE22 GLN 78 2HE2 GLN 78 -2.266 17.432 10.951 565 H HIS 79 H HIS 79 -5.396 10.676 11.742 566 HA HIS 79 HA HIS 79 -4.068 9.489 9.544 567 HB2 HIS 79 1HB HIS 79 -6.803 9.314 10.725 568 HB3 HIS 79 2HB HIS 79 -6.556 8.677 9.101 569 HD1 HIS 79 1HD HIS 79 -4.267 7.003 9.061 570 HD2 HIS 79 2HD HIS 79 -6.421 7.411 12.590 571 HE1 HIS 79 1HE HIS 79 -3.665 4.997 10.452 572 HE2 HIS 79 2HE HIS 79 -5.045 5.222 12.547 573 H VAL 80 H VAL 80 -3.954 10.076 7.477 574 HA VAL 80 HA VAL 80 -5.082 12.537 6.590 575 HB VAL 80 HB VAL 80 -4.124 11.939 4.381 576 HG11 VAL 80 1HG1 VAL 80 -2.494 11.853 6.881 577 HG12 VAL 80 2HG1 VAL 80 -1.705 11.643 5.317 578 HG13 VAL 80 3HG1 VAL 80 -2.610 13.118 5.659 579 HG21 VAL 80 1HG2 VAL 80 -3.729 9.824 3.836 580 HG22 VAL 80 2HG2 VAL 80 -2.559 9.688 5.149 581 HG23 VAL 80 3HG2 VAL 80 -4.258 9.315 5.440 582 H THR 81 H THR 81 -6.149 12.521 4.297 583 HA THR 81 HA THR 81 -8.707 11.344 4.593 584 HB THR 81 HB THR 81 -8.080 13.480 3.298 585 HG1 THR 81 1HG THR 81 -10.155 12.098 3.279 586 HG21 THR 81 1HG2 THR 81 -7.703 13.169 0.898 587 HG22 THR 81 2HG2 THR 81 -7.624 11.423 1.133 588 HG23 THR 81 3HG2 THR 81 -6.391 12.465 1.842 589 H GLY 82 H GLY 82 -9.606 9.543 3.721 590 HA2 GLY 82 1HA GLY 82 -9.797 7.702 2.286 591 HA3 GLY 82 2HA GLY 82 -8.193 8.053 1.658 592 H SER 83 H SER 83 -6.900 8.180 4.230 593 HA SER 83 HA SER 83 -6.464 5.358 4.599 594 HB2 SER 83 1HB SER 83 -4.518 5.942 5.690 595 HB3 SER 83 2HB SER 83 -4.760 7.385 4.705 596 HG SER 83 HG SER 83 -4.416 7.429 7.207 597 HA PRO 84 HA PRO 84 -5.312 4.252 6.366 598 HB2 PRO 84 1HB PRO 84 -6.203 1.829 7.206 599 HB3 PRO 84 2HB PRO 84 -5.472 3.014 8.295 600 HG2 PRO 84 1HG PRO 84 -8.365 2.409 7.822 601 HG3 PRO 84 2HG PRO 84 -7.519 2.700 9.353 602 HD2 PRO 84 1HD PRO 84 -8.999 4.604 8.121 603 HD3 PRO 84 2HD PRO 84 -7.557 4.989 9.084 604 H PHE 85 H PHE 85 -4.908 2.775 4.692 605 HA PHE 85 HA PHE 85 -7.185 2.365 2.884 606 HB2 PHE 85 1HB PHE 85 -4.212 2.374 2.322 607 HB3 PHE 85 2HB PHE 85 -5.463 2.083 1.117 608 HD1 PHE 85 2HD PHE 85 -7.087 3.915 0.585 609 HD2 PHE 85 1HD PHE 85 -3.603 4.553 2.944 610 HE1 PHE 85 2HE PHE 85 -7.257 6.335 0.175 611 HE2 PHE 85 1HE PHE 85 -3.768 6.974 2.540 612 HZ PHE 85 HZ PHE 85 -5.596 7.868 1.152 613 H GLN 86 H GLN 86 -8.073 0.419 3.119 614 HA GLN 86 HA GLN 86 -6.431 -1.867 3.866 615 HB2 GLN 86 1HB GLN 86 -8.809 -1.235 4.779 616 HB3 GLN 86 2HB GLN 86 -9.369 -2.046 3.322 617 HG2 GLN 86 1HG GLN 86 -7.822 -3.973 4.118 618 HG3 GLN 86 2HG GLN 86 -7.941 -3.173 5.685 619 HE21 GLN 86 1HE2 GLN 86 -9.975 -3.018 6.691 620 HE22 GLN 86 2HE2 GLN 86 -11.268 -4.082 6.270 621 H PHE 87 H PHE 87 -6.128 -3.682 2.616 622 HA PHE 87 HA PHE 87 -7.358 -3.883 0.003 623 HB2 PHE 87 1HB PHE 87 -5.337 -3.828 -1.278 624 HB3 PHE 87 2HB PHE 87 -5.369 -2.368 -0.296 625 HD1 PHE 87 2HD PHE 87 -3.907 -5.756 -0.543 626 HD2 PHE 87 1HD PHE 87 -3.646 -1.892 1.222 627 HE1 PHE 87 2HE PHE 87 -1.688 -6.321 0.357 628 HE2 PHE 87 1HE PHE 87 -1.426 -2.451 2.124 629 HZ PHE 87 HZ PHE 87 -0.445 -4.668 1.693 630 H THR 88 H THR 88 -7.423 -5.954 -0.754 631 HA THR 88 HA THR 88 -6.354 -8.008 1.047 632 HB THR 88 HB THR 88 -8.414 -8.376 -1.131 633 HG1 THR 88 1HG THR 88 -9.875 -7.691 0.246 634 HG21 THR 88 1HG2 THR 88 -8.674 -10.186 1.045 635 HG22 THR 88 2HG2 THR 88 -6.986 -10.187 0.534 636 HG23 THR 88 3HG2 THR 88 -8.262 -10.540 -0.632 637 H VAL 89 H VAL 89 -4.757 -9.320 0.435 638 HA VAL 89 HA VAL 89 -3.533 -8.977 -2.145 639 HB VAL 89 HB VAL 89 -2.833 -10.917 0.063 640 HG11 VAL 89 1HG1 VAL 89 -1.246 -10.007 -2.336 641 HG12 VAL 89 2HG1 VAL 89 -0.653 -11.055 -1.045 642 HG13 VAL 89 3HG1 VAL 89 -1.953 -11.605 -2.103 643 HG21 VAL 89 1HG2 VAL 89 -1.732 -9.287 1.123 644 HG22 VAL 89 2HG2 VAL 89 -1.066 -8.642 -0.377 645 HG23 VAL 89 3HG2 VAL 89 -2.684 -8.172 0.142 646 H GLY 90 H GLY 90 -3.493 -10.375 -3.847 647 HA2 GLY 90 1HA GLY 90 -5.246 -12.743 -3.618 648 HA3 GLY 90 2HA GLY 90 -5.098 -11.773 -5.076 649 HA PRO 91 HA PRO 91 -2.354 -15.421 -5.647 650 HB2 PRO 91 1HB PRO 91 -2.945 -15.723 -8.279 651 HB3 PRO 91 2HB PRO 91 -3.930 -16.420 -6.987 652 HG2 PRO 91 1HG PRO 91 -4.370 -13.912 -8.563 653 HG3 PRO 91 2HG PRO 91 -5.542 -15.156 -8.089 654 HD2 PRO 91 1HD PRO 91 -5.301 -12.804 -6.770 655 HD3 PRO 91 2HD PRO 91 -5.766 -14.312 -5.956 656 H LEU 92 H LEU 92 -0.297 -15.390 -6.419 657 HA LEU 92 HA LEU 92 0.921 -12.969 -7.098 658 HB2 LEU 92 1HB LEU 92 2.889 -14.330 -7.670 659 HB3 LEU 92 2HB LEU 92 2.178 -14.767 -6.118 660 HG LEU 92 HG LEU 92 1.455 -16.333 -8.558 661 HD11 LEU 92 1HD1 LEU 92 3.713 -17.363 -6.993 662 HD12 LEU 92 2HD1 LEU 92 4.080 -15.962 -7.998 663 HD13 LEU 92 3HD1 LEU 92 3.410 -17.420 -8.729 664 HD21 LEU 92 1HD2 LEU 92 1.864 -17.965 -6.342 665 HD22 LEU 92 2HD2 LEU 92 0.315 -17.420 -6.988 666 HD23 LEU 92 3HD2 LEU 92 1.102 -16.511 -5.696 667 H GLY 93 H GLY 93 -0.780 -15.230 -9.039 668 HA2 GLY 93 1HA GLY 93 -1.553 -14.578 -11.215 669 HA3 GLY 93 2HA GLY 93 -0.068 -13.661 -11.425 670 H GLU 94 H GLU 94 -0.864 -17.040 -10.596 671 HA GLU 94 HA GLU 94 1.382 -18.060 -12.020 672 HB2 GLU 94 1HB GLU 94 0.055 -20.279 -11.686 673 HB3 GLU 94 2HB GLU 94 0.738 -19.457 -10.291 674 HG2 GLU 94 1HG GLU 94 -1.347 -18.650 -9.600 675 HG3 GLU 94 2HG GLU 94 -2.091 -18.993 -11.161 676 H GLY 95 H GLY 95 1.059 -19.832 -13.711 677 HA2 GLY 95 1HA GLY 95 -1.142 -20.019 -15.378 678 HA3 GLY 95 2HA GLY 95 -0.200 -18.662 -15.979 679 H GLY 96 H GLY 96 2.374 -19.508 -15.620 680 HA2 GLY 96 1HA GLY 96 2.645 -22.157 -16.794 681 HA3 GLY 96 2HA GLY 96 3.110 -20.814 -17.827 682 H SER 97 H SER 97 4.763 -22.973 -16.783 683 HA SER 97 HA SER 97 6.603 -21.449 -15.063 684 HB2 SER 97 1HB SER 97 7.554 -23.625 -14.409 685 HB3 SER 97 2HB SER 97 5.825 -23.556 -14.070 686 HG SER 97 HG SER 97 6.183 -25.486 -15.070 687 H GLY 98 H GLY 98 6.541 -23.725 -17.800 688 HA2 GLY 98 1HA GLY 98 8.687 -22.249 -19.077 689 HA3 GLY 98 2HA GLY 98 9.108 -23.881 -18.582 690 HA PRO 99 HA PRO 99 6.447 -23.618 -22.620 691 HB2 PRO 99 1HB PRO 99 8.266 -22.913 -24.508 692 HB3 PRO 99 2HB PRO 99 7.256 -21.736 -23.661 693 HG2 PRO 99 1HG PRO 99 10.100 -22.512 -23.143 694 HG3 PRO 99 2HG PRO 99 9.365 -20.898 -23.155 695 HD2 PRO 99 1HD PRO 99 9.886 -22.244 -20.864 696 HD3 PRO 99 2HD PRO 99 8.511 -21.133 -21.027 697 H SER 100 H SER 100 6.424 -25.858 -22.378 698 HA SER 100 HA SER 100 8.780 -27.355 -23.259 699 HB2 SER 100 1HB SER 100 7.655 -28.001 -21.130 700 HB3 SER 100 2HB SER 100 6.206 -28.399 -22.053 701 HG SER 100 HG SER 100 8.689 -29.700 -21.980 702 H SER 101 H SER 101 8.890 -28.343 -25.174 703 HA SER 101 HA SER 101 6.679 -28.039 -27.023 704 HB2 SER 101 1HB SER 101 9.041 -27.556 -27.690 705 HB3 SER 101 2HB SER 101 9.398 -29.274 -27.513 706 HG SER 101 HG SER 101 8.910 -28.830 -29.661 707 H GLY 102 H GLY 102 8.599 -30.692 -25.644 708 HA2 GLY 102 1HA GLY 102 7.330 -32.811 -26.955 709 HA3 GLY 102 2HA GLY 102 8.137 -32.926 -25.398 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -23.489 -6.380 15.087 2 HA2 GLY 1 1HA GLY 1 -25.347 -6.003 13.114 3 HA3 GLY 1 2HA GLY 1 -24.497 -4.467 13.201 4 H SER 2 H SER 2 -24.577 -7.384 11.672 5 HA SER 2 HA SER 2 -22.034 -6.924 10.410 6 HB2 SER 2 1HB SER 2 -21.103 -9.159 10.917 7 HB3 SER 2 2HB SER 2 -21.286 -8.178 12.371 8 HG SER 2 HG SER 2 -22.738 -10.426 11.539 9 H SER 3 H SER 3 -21.761 -8.129 8.482 10 HA SER 3 HA SER 3 -23.839 -9.970 7.660 11 HB2 SER 3 1HB SER 3 -24.596 -7.518 7.213 12 HB3 SER 3 2HB SER 3 -23.423 -7.572 5.898 13 HG SER 3 HG SER 3 -25.331 -9.620 6.185 14 H GLY 4 H GLY 4 -23.426 -10.750 5.373 15 HA2 GLY 4 1HA GLY 4 -20.829 -10.349 4.242 16 HA3 GLY 4 2HA GLY 4 -20.925 -11.862 5.130 17 H SER 5 H SER 5 -20.998 -10.718 2.139 18 HA SER 5 HA SER 5 -23.026 -12.653 1.225 19 HB2 SER 5 1HB SER 5 -22.259 -9.947 0.226 20 HB3 SER 5 2HB SER 5 -22.770 -11.152 -0.955 21 HG SER 5 HG SER 5 -24.603 -11.425 0.675 22 H SER 6 H SER 6 -22.478 -13.198 -1.238 23 HA SER 6 HA SER 6 -19.687 -14.139 -1.234 24 HB2 SER 6 1HB SER 6 -22.241 -15.378 -2.187 25 HB3 SER 6 2HB SER 6 -20.727 -15.819 -2.977 26 HG SER 6 HG SER 6 -21.273 -17.188 -1.192 27 H GLY 7 H GLY 7 -18.652 -14.359 -3.356 28 HA2 GLY 7 1HA GLY 7 -19.505 -13.426 -5.774 29 HA3 GLY 7 2HA GLY 7 -19.037 -11.970 -4.909 30 H ARG 8 H ARG 8 -17.235 -11.386 -6.000 31 HA ARG 8 HA ARG 8 -14.803 -12.688 -5.439 32 HB2 ARG 8 1HB ARG 8 -15.428 -14.345 -7.046 33 HB3 ARG 8 2HB ARG 8 -15.939 -13.120 -8.200 34 HG2 ARG 8 1HG ARG 8 -13.924 -13.647 -9.095 35 HG3 ARG 8 2HG ARG 8 -13.409 -12.380 -7.979 36 HD2 ARG 8 1HD ARG 8 -11.898 -14.031 -7.476 37 HD3 ARG 8 2HD ARG 8 -13.169 -14.384 -6.307 38 HE ARG 8 HE ARG 8 -13.589 -16.352 -7.404 39 HH11 ARG 8 1HH1 ARG 8 -11.615 -14.309 -9.416 40 HH12 ARG 8 2HH1 ARG 8 -11.311 -15.542 -10.595 41 HH21 ARG 8 1HH2 ARG 8 -13.198 -17.983 -8.950 42 HH22 ARG 8 2HH2 ARG 8 -12.213 -17.631 -10.329 43 H ALA 9 H ALA 9 -13.658 -10.900 -5.110 44 HA ALA 9 HA ALA 9 -13.957 -8.642 -6.960 45 HB1 ALA 9 1HB ALA 9 -13.202 -8.896 -4.109 46 HB2 ALA 9 2HB ALA 9 -12.437 -7.603 -5.034 47 HB3 ALA 9 3HB ALA 9 -14.195 -7.684 -4.917 48 HA PRO 10 HA PRO 10 -10.047 -9.419 -8.827 49 HB2 PRO 10 1HB PRO 10 -9.471 -6.911 -9.692 50 HB3 PRO 10 2HB PRO 10 -10.696 -7.933 -10.454 51 HG2 PRO 10 1HG PRO 10 -11.043 -5.715 -8.473 52 HG3 PRO 10 2HG PRO 10 -11.988 -6.071 -9.931 53 HD2 PRO 10 1HD PRO 10 -12.831 -6.746 -7.448 54 HD3 PRO 10 2HD PRO 10 -13.219 -7.715 -8.885 55 H SER 11 H SER 11 -8.553 -9.940 -7.289 56 HA SER 11 HA SER 11 -7.668 -8.348 -5.188 57 HB2 SER 11 1HB SER 11 -6.600 -10.735 -6.612 58 HB3 SER 11 2HB SER 11 -5.486 -9.846 -5.573 59 HG SER 11 HG SER 11 -7.025 -10.101 -3.877 60 H VAL 12 H VAL 12 -7.166 -6.261 -5.702 61 HA VAL 12 HA VAL 12 -5.706 -5.372 -7.903 62 HB VAL 12 HB VAL 12 -5.271 -3.319 -6.602 63 HG11 VAL 12 1HG1 VAL 12 -7.786 -2.973 -5.949 64 HG12 VAL 12 2HG1 VAL 12 -7.317 -3.177 -7.638 65 HG13 VAL 12 3HG1 VAL 12 -7.988 -4.537 -6.738 66 HG21 VAL 12 1HG2 VAL 12 -4.825 -4.156 -4.427 67 HG22 VAL 12 2HG2 VAL 12 -6.299 -3.195 -4.303 68 HG23 VAL 12 3HG2 VAL 12 -6.394 -4.956 -4.339 69 H ALA 13 H ALA 13 -4.589 -6.192 -4.633 70 HA ALA 13 HA ALA 13 -1.813 -5.858 -5.469 71 HB1 ALA 13 1HB ALA 13 -2.325 -6.843 -2.756 72 HB2 ALA 13 2HB ALA 13 -1.321 -5.502 -3.310 73 HB3 ALA 13 3HB ALA 13 -3.061 -5.282 -3.122 74 H THR 14 H THR 14 -0.265 -7.515 -5.327 75 HA THR 14 HA THR 14 -1.406 -10.231 -5.420 76 HB THR 14 HB THR 14 0.968 -9.052 -6.861 77 HG1 THR 14 1HG THR 14 -1.389 -10.394 -7.749 78 HG21 THR 14 1HG2 THR 14 1.669 -11.215 -6.030 79 HG22 THR 14 2HG2 THR 14 1.354 -11.330 -7.762 80 HG23 THR 14 3HG2 THR 14 0.177 -11.955 -6.608 81 H VAL 15 H VAL 15 -0.056 -11.976 -4.629 82 HA VAL 15 HA VAL 15 1.262 -11.247 -2.161 83 HB VAL 15 HB VAL 15 -0.233 -13.178 -2.188 84 HG11 VAL 15 1HG1 VAL 15 -0.080 -14.945 -3.601 85 HG12 VAL 15 2HG1 VAL 15 0.690 -13.737 -4.633 86 HG13 VAL 15 3HG1 VAL 15 1.679 -14.858 -3.696 87 HG21 VAL 15 1HG2 VAL 15 1.354 -14.852 -1.190 88 HG22 VAL 15 2HG2 VAL 15 2.672 -13.780 -1.665 89 HG23 VAL 15 3HG2 VAL 15 1.456 -13.227 -0.513 90 H GLY 16 H GLY 16 3.396 -11.163 -1.796 91 HA2 GLY 16 1HA GLY 16 5.662 -11.576 -2.072 92 HA3 GLY 16 2HA GLY 16 5.275 -12.626 -3.427 93 H SER 17 H SER 17 3.806 -10.768 -4.972 94 HA SER 17 HA SER 17 5.952 -9.443 -6.288 95 HB2 SER 17 1HB SER 17 2.958 -9.306 -6.693 96 HB3 SER 17 2HB SER 17 4.128 -8.514 -7.747 97 HG SER 17 HG SER 17 5.065 -10.759 -7.872 98 H ILE 18 H ILE 18 6.816 -7.547 -5.805 99 HA ILE 18 HA ILE 18 6.298 -5.900 -3.752 100 HB ILE 18 HB ILE 18 7.147 -5.007 -6.509 101 HG12 ILE 18 1HG1 ILE 18 8.617 -6.696 -5.522 102 HG13 ILE 18 2HG1 ILE 18 9.419 -5.129 -5.567 103 HG21 ILE 18 1HG2 ILE 18 6.937 -3.561 -3.914 104 HG22 ILE 18 2HG2 ILE 18 8.276 -3.180 -4.996 105 HG23 ILE 18 3HG2 ILE 18 6.613 -2.994 -5.552 106 HD11 ILE 18 1HD1 ILE 18 8.244 -6.537 -3.192 107 HD12 ILE 18 2HD1 ILE 18 9.927 -6.094 -3.480 108 HD13 ILE 18 3HD1 ILE 18 8.726 -4.841 -3.165 109 H CYS 19 H CYS 19 4.781 -4.504 -3.108 110 HA CYS 19 HA CYS 19 2.619 -3.866 -4.997 111 HB2 CYS 19 1HB CYS 19 2.040 -5.162 -2.922 112 HB3 CYS 19 2HB CYS 19 2.516 -3.755 -1.979 113 HG CYS 19 HG CYS 19 0.346 -2.874 -4.300 114 H ASP 20 H ASP 20 2.553 -1.864 -5.745 115 HA ASP 20 HA ASP 20 3.956 0.252 -4.276 116 HB2 ASP 20 1HB ASP 20 3.189 -0.127 -7.150 117 HB3 ASP 20 2HB ASP 20 3.489 1.495 -6.532 118 H LEU 21 H LEU 21 2.970 2.201 -3.756 119 HA LEU 21 HA LEU 21 0.032 2.235 -3.984 120 HB2 LEU 21 1HB LEU 21 1.166 1.842 -1.674 121 HB3 LEU 21 2HB LEU 21 1.485 3.574 -1.740 122 HG LEU 21 HG LEU 21 -1.041 3.835 -2.088 123 HD11 LEU 21 1HD1 LEU 21 -1.025 1.139 -2.318 124 HD12 LEU 21 2HD1 LEU 21 -2.437 2.091 -1.859 125 HD13 LEU 21 3HD1 LEU 21 -1.448 1.327 -0.615 126 HD21 LEU 21 1HD2 LEU 21 -0.787 2.772 0.606 127 HD22 LEU 21 2HD2 LEU 21 -1.091 4.422 0.063 128 HD23 LEU 21 3HD2 LEU 21 0.562 3.813 0.154 129 H ASN 22 H ASN 22 -0.704 3.864 -5.161 130 HA ASN 22 HA ASN 22 1.018 6.066 -5.877 131 HB2 ASN 22 1HB ASN 22 -1.663 5.075 -6.733 132 HB3 ASN 22 2HB ASN 22 -1.275 6.767 -7.031 133 HD21 ASN 22 1HD2 ASN 22 0.428 3.657 -7.251 134 HD22 ASN 22 2HD2 ASN 22 1.044 3.917 -8.844 135 H LEU 23 H LEU 23 1.296 7.664 -4.462 136 HA LEU 23 HA LEU 23 -1.092 8.845 -3.221 137 HB2 LEU 23 1HB LEU 23 1.450 7.976 -1.922 138 HB3 LEU 23 2HB LEU 23 0.587 9.374 -1.283 139 HG LEU 23 HG LEU 23 -0.600 6.616 -1.572 140 HD11 LEU 23 1HD1 LEU 23 1.351 7.171 0.157 141 HD12 LEU 23 2HD1 LEU 23 0.000 6.110 0.553 142 HD13 LEU 23 3HD1 LEU 23 -0.017 7.793 1.079 143 HD21 LEU 23 1HD2 LEU 23 -2.502 7.774 -1.370 144 HD22 LEU 23 2HD2 LEU 23 -1.664 9.246 -0.881 145 HD23 LEU 23 3HD2 LEU 23 -2.025 7.998 0.313 146 H LYS 24 H LYS 24 -1.296 10.838 -3.975 147 HA LYS 24 HA LYS 24 1.143 12.439 -4.397 148 HB2 LYS 24 1HB LYS 24 -0.068 13.620 -6.195 149 HB3 LYS 24 2HB LYS 24 0.128 11.906 -6.537 150 HG2 LYS 24 1HG LYS 24 -2.242 11.693 -5.500 151 HG3 LYS 24 2HG LYS 24 -2.343 13.424 -5.830 152 HD2 LYS 24 1HD LYS 24 -3.180 12.590 -7.792 153 HD3 LYS 24 2HD LYS 24 -1.465 12.677 -8.202 154 HE2 LYS 24 1HE LYS 24 -1.337 10.263 -7.355 155 HE3 LYS 24 2HE LYS 24 -3.097 10.272 -7.445 156 HZ1 LYS 24 1HZ LYS 24 -1.249 10.815 -9.706 157 HZ2 LYS 24 2HZ LYS 24 -2.938 10.822 -9.793 158 HZ3 LYS 24 3HZ LYS 24 -2.115 9.382 -9.462 159 H ILE 25 H ILE 25 1.088 13.408 -2.374 160 HA ILE 25 HA ILE 25 -1.133 15.301 -1.978 161 HB ILE 25 HB ILE 25 0.342 14.037 0.319 162 HG12 ILE 25 1HG1 ILE 25 -2.347 13.151 -0.737 163 HG13 ILE 25 2HG1 ILE 25 -0.842 12.317 -1.107 164 HG21 ILE 25 1HG2 ILE 25 -1.460 16.167 0.103 165 HG22 ILE 25 2HG2 ILE 25 -2.378 14.832 0.797 166 HG23 ILE 25 3HG2 ILE 25 -0.897 15.383 1.579 167 HD11 ILE 25 1HD1 ILE 25 -2.221 11.350 0.758 168 HD12 ILE 25 2HD1 ILE 25 -0.533 11.685 1.143 169 HD13 ILE 25 3HD1 ILE 25 -1.799 12.780 1.699 170 HA PRO 26 HA PRO 26 2.655 17.821 -2.215 171 HB2 PRO 26 1HB PRO 26 1.358 20.055 -3.049 172 HB3 PRO 26 2HB PRO 26 1.841 18.758 -4.149 173 HG2 PRO 26 1HG PRO 26 -0.833 19.298 -2.915 174 HG3 PRO 26 2HG PRO 26 -0.443 18.825 -4.579 175 HD2 PRO 26 1HD PRO 26 -1.338 17.057 -2.733 176 HD3 PRO 26 2HD PRO 26 -0.209 16.600 -4.025 177 H GLU 27 H GLU 27 -0.081 17.839 -0.257 178 HA GLU 27 HA GLU 27 0.420 20.313 1.120 179 HB2 GLU 27 1HB GLU 27 -1.403 17.973 1.630 180 HB3 GLU 27 2HB GLU 27 -1.235 19.280 2.793 181 HG2 GLU 27 1HG GLU 27 -3.168 19.663 1.424 182 HG3 GLU 27 2HG GLU 27 -1.945 20.880 1.067 183 H ILE 28 H ILE 28 1.269 16.943 1.537 184 HA ILE 28 HA ILE 28 2.846 17.688 3.915 185 HB ILE 28 HB ILE 28 1.769 14.933 3.320 186 HG12 ILE 28 1HG1 ILE 28 0.707 16.677 5.511 187 HG13 ILE 28 2HG1 ILE 28 0.099 16.890 3.873 188 HG21 ILE 28 1HG2 ILE 28 2.445 14.392 5.554 189 HG22 ILE 28 2HG2 ILE 28 3.820 15.113 4.719 190 HG23 ILE 28 3HG2 ILE 28 2.892 16.068 5.875 191 HD11 ILE 28 1HD1 ILE 28 -0.869 15.135 5.738 192 HD12 ILE 28 2HD1 ILE 28 -1.162 15.064 3.999 193 HD13 ILE 28 3HD1 ILE 28 0.137 14.109 4.716 194 H ASN 29 H ASN 29 4.942 16.931 4.076 195 HA ASN 29 HA ASN 29 6.212 16.277 1.567 196 HB2 ASN 29 1HB ASN 29 7.419 16.598 4.324 197 HB3 ASN 29 2HB ASN 29 8.311 16.514 2.808 198 HD21 ASN 29 1HD2 ASN 29 9.057 18.423 2.273 199 HD22 ASN 29 2HD2 ASN 29 8.226 19.929 2.435 200 H SER 30 H SER 30 7.791 14.508 1.397 201 HA SER 30 HA SER 30 6.612 12.034 2.219 202 HB2 SER 30 1HB SER 30 9.361 12.150 1.051 203 HB3 SER 30 2HB SER 30 8.051 11.016 0.724 204 HG SER 30 HG SER 30 7.005 13.069 -0.166 205 H SER 31 H SER 31 8.940 14.137 3.551 206 HA SER 31 HA SER 31 10.290 12.093 5.102 207 HB2 SER 31 1HB SER 31 11.585 14.008 4.305 208 HB3 SER 31 2HB SER 31 10.518 15.113 5.173 209 HG SER 31 HG SER 31 12.513 14.576 6.279 210 H ASP 32 H ASP 32 7.725 14.414 5.488 211 HA ASP 32 HA ASP 32 7.612 14.032 8.369 212 HB2 ASP 32 1HB ASP 32 6.205 15.810 6.412 213 HB3 ASP 32 2HB ASP 32 5.483 15.524 7.993 214 H MET 33 H MET 33 6.702 12.228 5.834 215 HA MET 33 HA MET 33 4.102 11.433 6.913 216 HB2 MET 33 1HB MET 33 5.502 11.060 4.309 217 HB3 MET 33 2HB MET 33 4.328 9.844 4.795 218 HG2 MET 33 1HG MET 33 2.580 11.452 4.884 219 HG3 MET 33 2HG MET 33 3.716 12.783 4.684 220 HE1 MET 33 1HE MET 33 3.854 9.382 2.281 221 HE2 MET 33 2HE MET 33 2.417 9.558 3.288 222 HE3 MET 33 3HE MET 33 2.305 9.792 1.543 223 H SER 34 H SER 34 3.640 9.100 7.121 224 HA SER 34 HA SER 34 5.892 7.327 7.507 225 HB2 SER 34 1HB SER 34 4.136 8.069 9.860 226 HB3 SER 34 2HB SER 34 5.415 6.856 9.862 227 HG SER 34 HG SER 34 5.863 9.134 10.637 228 H ALA 35 H ALA 35 5.194 5.609 6.426 229 HA ALA 35 HA ALA 35 2.374 4.818 6.658 230 HB1 ALA 35 1HB ALA 35 2.974 5.110 4.392 231 HB2 ALA 35 2HB ALA 35 4.472 4.201 4.594 232 HB3 ALA 35 3HB ALA 35 2.919 3.368 4.662 233 H HIS 36 H HIS 36 1.773 2.823 7.385 234 HA HIS 36 HA HIS 36 3.879 0.926 8.137 235 HB2 HIS 36 1HB HIS 36 1.632 1.765 9.981 236 HB3 HIS 36 2HB HIS 36 2.878 0.571 10.333 237 HD1 HIS 36 1HD HIS 36 2.158 4.159 10.503 238 HD2 HIS 36 2HD HIS 36 5.519 1.720 10.638 239 HE1 HIS 36 1HE HIS 36 3.995 5.597 11.442 240 HE2 HIS 36 2HE HIS 36 6.039 4.126 11.434 241 H VAL 37 H VAL 37 3.432 -0.920 7.148 242 HA VAL 37 HA VAL 37 0.745 -1.544 6.285 243 HB VAL 37 HB VAL 37 3.324 -3.089 5.988 244 HG11 VAL 37 1HG1 VAL 37 2.157 -4.830 5.259 245 HG12 VAL 37 2HG1 VAL 37 0.671 -4.000 5.724 246 HG13 VAL 37 3HG1 VAL 37 1.312 -3.815 4.091 247 HG21 VAL 37 1HG2 VAL 37 2.992 -0.839 4.795 248 HG22 VAL 37 2HG2 VAL 37 3.484 -2.226 3.822 249 HG23 VAL 37 3HG2 VAL 37 1.803 -1.692 3.812 250 H THR 38 H THR 38 -0.586 -2.199 7.873 251 HA THR 38 HA THR 38 0.366 -3.992 9.956 252 HB THR 38 HB THR 38 -2.431 -2.913 9.572 253 HG1 THR 38 1HG THR 38 -1.700 -1.384 11.221 254 HG21 THR 38 1HG2 THR 38 -1.032 -4.452 11.704 255 HG22 THR 38 2HG2 THR 38 -2.694 -4.579 11.125 256 HG23 THR 38 3HG2 THR 38 -2.229 -3.251 12.189 257 H SER 39 H SER 39 -0.154 -6.110 10.160 258 HA SER 39 HA SER 39 -1.491 -7.356 7.875 259 HB2 SER 39 1HB SER 39 0.423 -8.338 9.967 260 HB3 SER 39 2HB SER 39 -0.578 -9.489 9.082 261 HG SER 39 HG SER 39 0.296 -8.230 7.160 262 HA PRO 40 HA PRO 40 -5.131 -8.457 10.063 263 HB2 PRO 40 1HB PRO 40 -5.679 -10.905 9.026 264 HB3 PRO 40 2HB PRO 40 -5.885 -9.406 8.111 265 HG2 PRO 40 1HG PRO 40 -3.628 -11.372 8.043 266 HG3 PRO 40 2HG PRO 40 -4.436 -10.549 6.696 267 HD2 PRO 40 1HD PRO 40 -2.050 -9.733 7.681 268 HD3 PRO 40 2HD PRO 40 -3.239 -8.604 7.002 269 H SER 41 H SER 41 -2.239 -10.130 10.516 270 HA SER 41 HA SER 41 -3.342 -12.003 12.463 271 HB2 SER 41 1HB SER 41 -0.961 -12.792 12.633 272 HB3 SER 41 2HB SER 41 -1.652 -12.925 11.016 273 HG SER 41 HG SER 41 0.169 -10.988 11.988 274 H GLY 42 H GLY 42 -1.914 -8.902 12.328 275 HA2 GLY 42 1HA GLY 42 -2.127 -7.525 14.329 276 HA3 GLY 42 2HA GLY 42 -1.633 -8.927 15.267 277 H ARG 43 H ARG 43 0.021 -8.373 12.306 278 HA ARG 43 HA ARG 43 2.321 -7.306 13.808 279 HB2 ARG 43 1HB ARG 43 2.555 -9.668 12.976 280 HB3 ARG 43 2HB ARG 43 2.443 -9.039 11.338 281 HG2 ARG 43 1HG ARG 43 4.422 -7.506 12.145 282 HG3 ARG 43 2HG ARG 43 4.648 -8.809 13.314 283 HD2 ARG 43 1HD ARG 43 4.283 -9.516 10.447 284 HD3 ARG 43 2HD ARG 43 5.832 -8.846 10.955 285 HE ARG 43 HE ARG 43 4.759 -11.448 11.605 286 HH11 ARG 43 1HH1 ARG 43 7.075 -8.978 12.414 287 HH12 ARG 43 2HH1 ARG 43 8.136 -10.063 13.249 288 HH21 ARG 43 1HH2 ARG 43 6.149 -12.887 12.702 289 HH22 ARG 43 2HH2 ARG 43 7.609 -12.287 13.411 290 H VAL 44 H VAL 44 2.881 -5.316 13.252 291 HA VAL 44 HA VAL 44 2.264 -4.388 10.523 292 HB VAL 44 HB VAL 44 0.918 -3.157 12.080 293 HG11 VAL 44 1HG1 VAL 44 1.888 -1.881 13.935 294 HG12 VAL 44 2HG1 VAL 44 2.180 -3.613 14.112 295 HG13 VAL 44 3HG1 VAL 44 3.476 -2.550 13.560 296 HG21 VAL 44 1HG2 VAL 44 3.295 -1.585 11.104 297 HG22 VAL 44 2HG2 VAL 44 1.748 -1.816 10.289 298 HG23 VAL 44 3HG2 VAL 44 1.834 -0.845 11.759 299 H THR 45 H THR 45 3.783 -3.110 9.450 300 HA THR 45 HA THR 45 6.424 -2.856 10.711 301 HB THR 45 HB THR 45 7.247 -3.378 8.232 302 HG1 THR 45 1HG THR 45 5.841 -5.345 7.690 303 HG21 THR 45 1HG2 THR 45 7.970 -4.534 10.280 304 HG22 THR 45 2HG2 THR 45 7.725 -5.661 8.945 305 HG23 THR 45 3HG2 THR 45 6.516 -5.530 10.222 306 H GLU 46 H GLU 46 7.890 -1.631 8.932 307 HA GLU 46 HA GLU 46 6.450 0.864 8.433 308 HB2 GLU 46 1HB GLU 46 8.532 0.991 9.723 309 HB3 GLU 46 2HB GLU 46 9.412 0.262 8.387 310 HG2 GLU 46 1HG GLU 46 9.879 2.506 8.144 311 HG3 GLU 46 2HG GLU 46 8.547 2.263 7.015 312 H ALA 47 H ALA 47 6.511 1.936 6.436 313 HA ALA 47 HA ALA 47 7.112 0.180 4.148 314 HB1 ALA 47 1HB ALA 47 5.307 2.499 3.790 315 HB2 ALA 47 2HB ALA 47 5.238 0.885 3.081 316 HB3 ALA 47 3HB ALA 47 4.698 1.143 4.740 317 H GLU 48 H GLU 48 8.362 0.917 2.494 318 HA GLU 48 HA GLU 48 9.976 3.248 3.017 319 HB2 GLU 48 1HB GLU 48 11.214 1.472 2.134 320 HB3 GLU 48 2HB GLU 48 9.990 1.091 0.931 321 HG2 GLU 48 1HG GLU 48 10.691 2.722 -0.508 322 HG3 GLU 48 2HG GLU 48 11.357 3.726 0.780 323 H ILE 49 H ILE 49 9.691 5.226 2.222 324 HA ILE 49 HA ILE 49 7.657 5.597 0.128 325 HB ILE 49 HB ILE 49 8.691 7.610 2.128 326 HG12 ILE 49 1HG1 ILE 49 6.022 6.189 2.007 327 HG13 ILE 49 2HG1 ILE 49 7.319 5.803 3.133 328 HG21 ILE 49 1HG2 ILE 49 6.430 7.809 0.144 329 HG22 ILE 49 2HG2 ILE 49 6.881 9.034 1.329 330 HG23 ILE 49 3HG2 ILE 49 7.988 8.625 0.019 331 HD11 ILE 49 1HD1 ILE 49 7.004 8.452 3.591 332 HD12 ILE 49 2HD1 ILE 49 5.356 7.971 3.186 333 HD13 ILE 49 3HD1 ILE 49 6.209 7.171 4.506 334 H VAL 50 H VAL 50 8.725 5.562 -1.775 335 HA VAL 50 HA VAL 50 11.233 7.033 -2.055 336 HB VAL 50 HB VAL 50 9.811 5.380 -4.143 337 HG11 VAL 50 1HG1 VAL 50 12.705 6.202 -3.957 338 HG12 VAL 50 2HG1 VAL 50 11.916 5.363 -5.294 339 HG13 VAL 50 3HG1 VAL 50 11.494 7.037 -4.930 340 HG21 VAL 50 1HG2 VAL 50 10.449 3.535 -3.086 341 HG22 VAL 50 2HG2 VAL 50 12.126 4.080 -3.129 342 HG23 VAL 50 3HG2 VAL 50 11.094 4.511 -1.766 343 HA PRO 51 HA PRO 51 9.232 10.566 -3.791 344 HB2 PRO 51 1HB PRO 51 11.414 11.702 -4.939 345 HB3 PRO 51 2HB PRO 51 11.123 11.728 -3.196 346 HG2 PRO 51 1HG PRO 51 12.895 9.921 -4.794 347 HG3 PRO 51 2HG PRO 51 13.216 10.717 -3.242 348 HD2 PRO 51 1HD PRO 51 12.494 8.113 -3.422 349 HD3 PRO 51 2HD PRO 51 12.039 9.137 -2.045 350 H MET 52 H MET 52 7.899 10.133 -5.460 351 HA MET 52 HA MET 52 8.822 8.894 -7.884 352 HB2 MET 52 1HB MET 52 6.150 10.185 -7.313 353 HB3 MET 52 2HB MET 52 6.519 9.083 -8.633 354 HG2 MET 52 1HG MET 52 7.159 7.428 -6.755 355 HG3 MET 52 2HG MET 52 6.226 8.505 -5.719 356 HE1 MET 52 1HE MET 52 6.429 5.823 -8.159 357 HE2 MET 52 2HE MET 52 4.780 5.385 -8.606 358 HE3 MET 52 3HE MET 52 5.596 6.711 -9.435 359 H GLY 53 H GLY 53 7.797 12.139 -6.905 360 HA2 GLY 53 1HA GLY 53 9.465 13.461 -8.727 361 HA3 GLY 53 2HA GLY 53 7.872 13.325 -9.457 362 H LYS 54 H LYS 54 6.481 14.908 -9.058 363 HA LYS 54 HA LYS 54 7.185 17.051 -7.305 364 HB2 LYS 54 1HB LYS 54 4.744 16.468 -8.976 365 HB3 LYS 54 2HB LYS 54 4.864 17.894 -7.955 366 HG2 LYS 54 1HG LYS 54 7.068 17.365 -9.871 367 HG3 LYS 54 2HG LYS 54 5.527 17.944 -10.507 368 HD2 LYS 54 1HD LYS 54 6.718 19.338 -8.158 369 HD3 LYS 54 2HD LYS 54 7.415 19.624 -9.754 370 HE2 LYS 54 1HE LYS 54 5.817 21.291 -9.603 371 HE3 LYS 54 2HE LYS 54 4.961 20.025 -10.481 372 HZ1 LYS 54 1HZ LYS 54 4.089 21.258 -8.225 373 HZ2 LYS 54 2HZ LYS 54 4.693 19.792 -7.636 374 HZ3 LYS 54 3HZ LYS 54 3.500 19.794 -8.835 375 H ASN 55 H ASN 55 7.112 16.680 -5.169 376 HA ASN 55 HA ASN 55 6.394 15.819 -3.150 377 HB2 ASN 55 1HB ASN 55 3.722 16.983 -3.837 378 HB3 ASN 55 2HB ASN 55 4.636 17.096 -2.336 379 HD21 ASN 55 1HD2 ASN 55 4.083 18.436 -5.457 380 HD22 ASN 55 2HD2 ASN 55 5.080 19.835 -5.271 381 H SER 56 H SER 56 6.367 13.690 -4.701 382 HA SER 56 HA SER 56 3.714 12.458 -4.359 383 HB2 SER 56 1HB SER 56 5.928 11.913 -6.333 384 HB3 SER 56 2HB SER 56 4.631 10.754 -6.043 385 HG SER 56 HG SER 56 3.214 12.672 -6.480 386 H HIS 57 H HIS 57 3.614 10.282 -3.600 387 HA HIS 57 HA HIS 57 6.016 9.369 -2.166 388 HB2 HIS 57 1HB HIS 57 3.314 8.922 -0.966 389 HB3 HIS 57 2HB HIS 57 4.883 9.042 -0.175 390 HD1 HIS 57 1HD HIS 57 5.846 11.494 0.130 391 HD2 HIS 57 2HD HIS 57 1.889 11.268 -1.116 392 HE1 HIS 57 1HE HIS 57 4.884 13.784 0.527 393 HE2 HIS 57 2HE HIS 57 2.467 13.599 -0.155 394 H CYS 58 H CYS 58 6.533 7.308 -2.525 395 HA CYS 58 HA CYS 58 4.477 5.543 -3.683 396 HB2 CYS 58 1HB CYS 58 6.209 6.215 -5.327 397 HB3 CYS 58 2HB CYS 58 7.442 5.523 -4.281 398 HG CYS 58 HG CYS 58 5.255 3.182 -4.740 399 H VAL 59 H VAL 59 3.888 4.189 -2.110 400 HA VAL 59 HA VAL 59 5.827 3.253 -0.155 401 HB VAL 59 HB VAL 59 2.847 2.913 -0.413 402 HG11 VAL 59 1HG1 VAL 59 3.420 1.887 2.035 403 HG12 VAL 59 2HG1 VAL 59 3.122 0.919 0.590 404 HG13 VAL 59 3HG1 VAL 59 4.776 1.283 1.083 405 HG21 VAL 59 1HG2 VAL 59 4.548 4.791 0.868 406 HG22 VAL 59 2HG2 VAL 59 2.786 4.718 0.879 407 HG23 VAL 59 3HG2 VAL 59 3.711 3.868 2.117 408 H ARG 60 H ARG 60 7.093 1.616 -0.748 409 HA ARG 60 HA ARG 60 5.921 -0.563 -2.344 410 HB2 ARG 60 1HB ARG 60 7.692 0.151 -3.632 411 HB3 ARG 60 2HB ARG 60 8.644 0.646 -2.239 412 HG2 ARG 60 1HG ARG 60 9.179 -1.651 -1.735 413 HG3 ARG 60 2HG ARG 60 8.129 -2.210 -3.039 414 HD2 ARG 60 1HD ARG 60 9.600 -1.589 -4.674 415 HD3 ARG 60 2HD ARG 60 10.279 -0.275 -3.714 416 HE ARG 60 HE ARG 60 11.198 -2.984 -3.825 417 HH11 ARG 60 1HH1 ARG 60 11.006 -0.137 -1.832 418 HH12 ARG 60 2HH1 ARG 60 12.391 -0.552 -0.878 419 HH21 ARG 60 1HH2 ARG 60 13.024 -3.542 -2.576 420 HH22 ARG 60 2HH2 ARG 60 13.539 -2.488 -1.303 421 H PHE 61 H PHE 61 5.592 -2.437 -1.358 422 HA PHE 61 HA PHE 61 7.422 -3.417 0.651 423 HB2 PHE 61 1HB PHE 61 5.709 -3.732 2.380 424 HB3 PHE 61 2HB PHE 61 5.920 -2.025 2.002 425 HD1 PHE 61 1HD PHE 61 3.822 -4.932 0.973 426 HD2 PHE 61 2HD PHE 61 4.041 -0.743 1.695 427 HE1 PHE 61 1HE PHE 61 1.407 -4.735 0.544 428 HE2 PHE 61 2HE PHE 61 1.627 -0.540 1.268 429 HZ PHE 61 HZ PHE 61 0.306 -2.537 0.693 430 H VAL 62 H VAL 62 6.831 -5.640 1.363 431 HA VAL 62 HA VAL 62 5.577 -7.081 -0.870 432 HB VAL 62 HB VAL 62 7.409 -8.180 1.266 433 HG11 VAL 62 1HG1 VAL 62 6.155 -9.975 0.454 434 HG12 VAL 62 2HG1 VAL 62 6.152 -9.347 -1.196 435 HG13 VAL 62 3HG1 VAL 62 7.631 -10.019 -0.509 436 HG21 VAL 62 1HG2 VAL 62 8.256 -6.436 -0.531 437 HG22 VAL 62 2HG2 VAL 62 9.222 -7.842 -0.084 438 HG23 VAL 62 3HG2 VAL 62 8.264 -7.866 -1.564 439 HA PRO 63 HA PRO 63 2.256 -7.693 2.122 440 HB2 PRO 63 1HB PRO 63 0.484 -8.626 0.289 441 HB3 PRO 63 2HB PRO 63 0.814 -6.905 0.516 442 HG2 PRO 63 1HG PRO 63 1.886 -8.782 -1.555 443 HG3 PRO 63 2HG PRO 63 1.306 -7.117 -1.747 444 HD2 PRO 63 1HD PRO 63 3.939 -7.737 -1.615 445 HD3 PRO 63 2HD PRO 63 3.286 -6.208 -0.993 446 H GLN 64 H GLN 64 0.649 -9.669 2.286 447 HA GLN 64 HA GLN 64 2.310 -12.092 2.150 448 HB2 GLN 64 1HB GLN 64 0.134 -11.217 4.029 449 HB3 GLN 64 2HB GLN 64 0.570 -12.914 3.882 450 HG2 GLN 64 1HG GLN 64 2.285 -10.637 4.822 451 HG3 GLN 64 2HG GLN 64 1.765 -12.059 5.726 452 HE21 GLN 64 1HE2 GLN 64 3.885 -10.870 3.222 453 HE22 GLN 64 2HE2 GLN 64 4.972 -12.213 3.232 454 H GLU 65 H GLU 65 0.889 -14.158 2.090 455 HA GLU 65 HA GLU 65 -0.665 -14.002 -0.338 456 HB2 GLU 65 1HB GLU 65 -0.375 -16.268 -0.517 457 HB3 GLU 65 2HB GLU 65 1.006 -15.873 0.497 458 HG2 GLU 65 1HG GLU 65 -0.223 -16.541 2.476 459 HG3 GLU 65 2HG GLU 65 -1.649 -16.878 1.497 460 H MET 66 H MET 66 -2.832 -14.279 -0.569 461 HA MET 66 HA MET 66 -4.996 -13.851 0.135 462 HB2 MET 66 1HB MET 66 -4.143 -16.500 1.249 463 HB3 MET 66 2HB MET 66 -5.770 -15.904 1.550 464 HG2 MET 66 1HG MET 66 -5.479 -17.452 -0.419 465 HG3 MET 66 2HG MET 66 -6.324 -15.936 -0.726 466 HE1 MET 66 1HE MET 66 -3.009 -18.053 -1.855 467 HE2 MET 66 2HE MET 66 -1.917 -16.675 -1.722 468 HE3 MET 66 3HE MET 66 -2.810 -17.232 -0.306 469 H GLY 67 H GLY 67 -3.626 -12.119 1.575 470 HA2 GLY 67 1HA GLY 67 -4.873 -12.322 4.231 471 HA3 GLY 67 2HA GLY 67 -3.163 -11.935 4.116 472 H VAL 68 H VAL 68 -5.972 -10.556 4.749 473 HA VAL 68 HA VAL 68 -5.770 -8.202 3.077 474 HB VAL 68 HB VAL 68 -7.568 -8.780 5.436 475 HG11 VAL 68 1HG1 VAL 68 -8.885 -6.863 4.220 476 HG12 VAL 68 2HG1 VAL 68 -7.602 -6.484 5.372 477 HG13 VAL 68 3HG1 VAL 68 -7.281 -6.419 3.638 478 HG21 VAL 68 1HG2 VAL 68 -8.231 -10.256 3.763 479 HG22 VAL 68 2HG2 VAL 68 -9.284 -8.864 3.511 480 HG23 VAL 68 3HG2 VAL 68 -7.880 -9.106 2.473 481 H HIS 69 H HIS 69 -4.333 -6.666 3.485 482 HA HIS 69 HA HIS 69 -3.424 -6.253 6.246 483 HB2 HIS 69 1HB HIS 69 -2.185 -5.226 3.685 484 HB3 HIS 69 2HB HIS 69 -1.482 -5.149 5.298 485 HD1 HIS 69 1HD HIS 69 -2.874 -8.005 3.185 486 HD2 HIS 69 2HD HIS 69 0.444 -7.020 5.483 487 HE1 HIS 69 1HE HIS 69 -1.378 -10.025 3.107 488 HE2 HIS 69 2HE HIS 69 0.583 -9.437 4.574 489 H THR 70 H THR 70 -2.687 -3.832 6.557 490 HA THR 70 HA THR 70 -4.650 -1.981 5.432 491 HB THR 70 HB THR 70 -4.218 -1.875 8.389 492 HG1 THR 70 1HG THR 70 -6.248 -3.451 7.161 493 HG21 THR 70 1HG2 THR 70 -5.432 -0.129 6.925 494 HG22 THR 70 2HG2 THR 70 -6.214 -0.663 8.413 495 HG23 THR 70 3HG2 THR 70 -6.737 -1.312 6.860 496 H VAL 71 H VAL 71 -3.626 -0.220 4.770 497 HA VAL 71 HA VAL 71 -0.951 0.359 5.757 498 HB VAL 71 HB VAL 71 -2.469 1.879 3.640 499 HG11 VAL 71 1HG1 VAL 71 0.113 2.142 4.839 500 HG12 VAL 71 2HG1 VAL 71 0.298 1.741 3.130 501 HG13 VAL 71 3HG1 VAL 71 -0.649 3.150 3.610 502 HG21 VAL 71 1HG2 VAL 71 -0.928 0.375 2.134 503 HG22 VAL 71 2HG2 VAL 71 -1.044 -0.735 3.500 504 HG23 VAL 71 3HG2 VAL 71 -2.506 -0.201 2.671 505 H SER 72 H SER 72 -0.904 1.437 7.633 506 HA SER 72 HA SER 72 -2.888 3.482 8.214 507 HB2 SER 72 1HB SER 72 -1.830 1.691 9.853 508 HB3 SER 72 2HB SER 72 -0.582 2.924 10.034 509 HG SER 72 HG SER 72 -3.328 3.076 10.659 510 H VAL 73 H VAL 73 -2.559 5.417 7.334 511 HA VAL 73 HA VAL 73 0.174 6.523 7.379 512 HB VAL 73 HB VAL 73 -2.022 7.112 5.389 513 HG11 VAL 73 1HG1 VAL 73 0.117 8.728 6.207 514 HG12 VAL 73 2HG1 VAL 73 0.585 8.055 4.644 515 HG13 VAL 73 3HG1 VAL 73 -0.926 8.952 4.802 516 HG21 VAL 73 1HG2 VAL 73 0.629 5.738 4.971 517 HG22 VAL 73 2HG2 VAL 73 -0.919 4.906 5.120 518 HG23 VAL 73 3HG2 VAL 73 -0.632 5.999 3.766 519 H LYS 74 H LYS 74 0.275 7.899 9.037 520 HA LYS 74 HA LYS 74 -1.934 9.820 9.379 521 HB2 LYS 74 1HB LYS 74 -0.359 8.261 11.367 522 HB3 LYS 74 2HB LYS 74 -0.829 9.898 11.805 523 HG2 LYS 74 1HG LYS 74 -3.195 9.079 10.996 524 HG3 LYS 74 2HG LYS 74 -2.514 7.492 11.362 525 HD2 LYS 74 1HD LYS 74 -2.715 9.835 13.254 526 HD3 LYS 74 2HD LYS 74 -3.699 8.371 13.293 527 HE2 LYS 74 1HE LYS 74 -1.788 7.028 13.827 528 HE3 LYS 74 2HE LYS 74 -0.699 8.392 13.578 529 HZ1 LYS 74 1HZ LYS 74 -0.886 8.545 15.802 530 HZ2 LYS 74 2HZ LYS 74 -2.380 7.755 15.860 531 HZ3 LYS 74 3HZ LYS 74 -2.305 9.391 15.438 532 H TYR 75 H TYR 75 -1.391 11.963 9.902 533 HA TYR 75 HA TYR 75 1.445 12.667 9.540 534 HB2 TYR 75 1HB TYR 75 0.566 13.321 7.487 535 HB3 TYR 75 2HB TYR 75 -0.983 13.785 8.183 536 HD1 TYR 75 1HD TYR 75 2.522 14.817 7.705 537 HD2 TYR 75 2HD TYR 75 -1.341 15.987 9.049 538 HE1 TYR 75 1HE TYR 75 3.262 17.161 7.770 539 HE2 TYR 75 2HE TYR 75 -0.612 18.335 9.117 540 HH TYR 75 HH TYR 75 2.735 19.242 8.399 541 H ARG 76 H ARG 76 2.117 13.423 11.437 542 HA ARG 76 HA ARG 76 2.252 14.631 13.358 543 HB2 ARG 76 1HB ARG 76 0.564 16.342 11.592 544 HB3 ARG 76 2HB ARG 76 0.692 16.777 13.291 545 HG2 ARG 76 1HG ARG 76 3.269 16.487 12.817 546 HG3 ARG 76 2HG ARG 76 2.757 16.814 11.160 547 HD2 ARG 76 1HD ARG 76 3.424 18.857 12.365 548 HD3 ARG 76 2HD ARG 76 1.739 18.896 11.847 549 HE ARG 76 HE ARG 76 2.120 17.946 14.537 550 HH11 ARG 76 1HH1 ARG 76 1.665 20.739 12.509 551 HH12 ARG 76 2HH1 ARG 76 1.025 21.723 13.784 552 HH21 ARG 76 1HH2 ARG 76 1.278 19.231 16.224 553 HH22 ARG 76 2HH2 ARG 76 0.806 20.864 15.897 554 H GLY 77 H GLY 77 0.325 12.467 13.177 555 HA2 GLY 77 1HA GLY 77 -1.096 11.525 14.752 556 HA3 GLY 77 2HA GLY 77 -1.170 13.078 15.571 557 H GLN 78 H GLN 78 -1.926 12.406 12.185 558 HA GLN 78 HA GLN 78 -4.774 12.580 12.677 559 HB2 GLN 78 1HB GLN 78 -3.265 14.723 11.186 560 HB3 GLN 78 2HB GLN 78 -4.995 14.472 10.999 561 HG2 GLN 78 1HG GLN 78 -5.157 14.760 13.514 562 HG3 GLN 78 2HG GLN 78 -3.497 15.349 13.444 563 HE21 GLN 78 1HE2 GLN 78 -3.101 17.165 11.946 564 HE22 GLN 78 2HE2 GLN 78 -4.328 18.370 11.787 565 H HIS 79 H HIS 79 -5.547 10.962 11.506 566 HA HIS 79 HA HIS 79 -4.192 9.759 9.349 567 HB2 HIS 79 1HB HIS 79 -6.964 9.540 10.469 568 HB3 HIS 79 2HB HIS 79 -6.575 8.749 8.944 569 HD1 HIS 79 1HD HIS 79 -4.425 7.054 9.120 570 HD2 HIS 79 2HD HIS 79 -6.360 8.060 12.656 571 HE1 HIS 79 1HE HIS 79 -3.738 5.299 10.785 572 HE2 HIS 79 2HE HIS 79 -4.988 5.880 12.893 573 H VAL 80 H VAL 80 -4.201 10.131 7.215 574 HA VAL 80 HA VAL 80 -5.374 12.536 6.210 575 HB VAL 80 HB VAL 80 -4.365 11.979 4.096 576 HG11 VAL 80 1HG1 VAL 80 -2.965 12.635 6.179 577 HG12 VAL 80 2HG1 VAL 80 -2.359 10.981 6.078 578 HG13 VAL 80 3HG1 VAL 80 -2.138 12.087 4.721 579 HG21 VAL 80 1HG2 VAL 80 -3.733 9.265 5.251 580 HG22 VAL 80 2HG2 VAL 80 -5.017 9.590 4.086 581 HG23 VAL 80 3HG2 VAL 80 -3.331 9.847 3.635 582 H THR 81 H THR 81 -6.616 12.493 4.096 583 HA THR 81 HA THR 81 -9.100 11.270 4.481 584 HB THR 81 HB THR 81 -7.946 12.325 1.892 585 HG1 THR 81 1HG THR 81 -9.244 13.539 4.089 586 HG21 THR 81 1HG2 THR 81 -10.857 12.207 2.603 587 HG22 THR 81 2HG2 THR 81 -10.053 10.824 1.862 588 HG23 THR 81 3HG2 THR 81 -10.106 12.370 1.017 589 H GLY 82 H GLY 82 -9.928 9.341 3.940 590 HA2 GLY 82 1HA GLY 82 -10.186 7.369 2.707 591 HA3 GLY 82 2HA GLY 82 -8.696 7.736 1.851 592 H SER 83 H SER 83 -7.063 8.132 4.162 593 HA SER 83 HA SER 83 -6.351 5.419 4.672 594 HB2 SER 83 1HB SER 83 -4.507 6.847 4.620 595 HB3 SER 83 2HB SER 83 -5.312 8.084 5.583 596 HG SER 83 HG SER 83 -4.354 7.215 7.226 597 HA PRO 84 HA PRO 84 -5.103 4.347 6.279 598 HB2 PRO 84 1HB PRO 84 -5.834 1.881 7.148 599 HB3 PRO 84 2HB PRO 84 -5.061 3.078 8.194 600 HG2 PRO 84 1HG PRO 84 -7.959 2.370 7.946 601 HG3 PRO 84 2HG PRO 84 -7.002 2.673 9.408 602 HD2 PRO 84 1HD PRO 84 -8.646 4.536 8.331 603 HD3 PRO 84 2HD PRO 84 -7.146 4.962 9.180 604 H PHE 85 H PHE 85 -4.799 2.700 4.665 605 HA PHE 85 HA PHE 85 -7.173 2.352 2.966 606 HB2 PHE 85 1HB PHE 85 -4.240 2.255 2.229 607 HB3 PHE 85 2HB PHE 85 -5.579 2.042 1.106 608 HD1 PHE 85 2HD PHE 85 -7.032 3.939 0.536 609 HD2 PHE 85 1HD PHE 85 -3.588 4.413 2.993 610 HE1 PHE 85 2HE PHE 85 -7.104 6.369 0.162 611 HE2 PHE 85 1HE PHE 85 -3.656 6.845 2.623 612 HZ PHE 85 HZ PHE 85 -5.414 7.826 1.205 613 H GLN 86 H GLN 86 -8.043 0.399 2.881 614 HA GLN 86 HA GLN 86 -6.453 -1.905 3.745 615 HB2 GLN 86 1HB GLN 86 -8.793 -1.268 4.692 616 HB3 GLN 86 2HB GLN 86 -9.404 -1.987 3.208 617 HG2 GLN 86 1HG GLN 86 -7.852 -3.984 3.938 618 HG3 GLN 86 2HG GLN 86 -8.075 -3.267 5.533 619 HE21 GLN 86 1HE2 GLN 86 -10.429 -2.709 6.015 620 HE22 GLN 86 2HE2 GLN 86 -11.591 -3.920 5.606 621 H PHE 87 H PHE 87 -5.964 -3.573 2.429 622 HA PHE 87 HA PHE 87 -7.262 -3.803 -0.170 623 HB2 PHE 87 1HB PHE 87 -5.196 -3.792 -1.419 624 HB3 PHE 87 2HB PHE 87 -5.294 -2.300 -0.488 625 HD1 PHE 87 2HD PHE 87 -3.668 -5.595 -0.712 626 HD2 PHE 87 1HD PHE 87 -3.704 -1.791 1.198 627 HE1 PHE 87 2HE PHE 87 -1.464 -6.071 0.271 628 HE2 PHE 87 1HE PHE 87 -1.499 -2.262 2.184 629 HZ PHE 87 HZ PHE 87 -0.377 -4.404 1.722 630 H THR 88 H THR 88 -7.429 -5.867 -0.869 631 HA THR 88 HA THR 88 -6.407 -7.945 0.912 632 HB THR 88 HB THR 88 -8.425 -8.112 -1.335 633 HG1 THR 88 1HG THR 88 -9.807 -8.529 0.593 634 HG21 THR 88 1HG2 THR 88 -7.391 -10.180 0.596 635 HG22 THR 88 2HG2 THR 88 -7.417 -10.251 -1.166 636 HG23 THR 88 3HG2 THR 88 -8.924 -10.351 -0.257 637 H VAL 89 H VAL 89 -5.033 -9.552 0.288 638 HA VAL 89 HA VAL 89 -3.691 -9.168 -2.291 639 HB VAL 89 HB VAL 89 -2.800 -10.734 0.134 640 HG11 VAL 89 1HG1 VAL 89 -1.653 -11.816 -1.511 641 HG12 VAL 89 2HG1 VAL 89 -1.698 -10.433 -2.606 642 HG13 VAL 89 3HG1 VAL 89 -0.561 -10.454 -1.257 643 HG21 VAL 89 1HG2 VAL 89 -1.459 -8.270 -0.887 644 HG22 VAL 89 2HG2 VAL 89 -2.893 -8.123 0.129 645 HG23 VAL 89 3HG2 VAL 89 -1.463 -8.955 0.738 646 H GLY 90 H GLY 90 -3.551 -10.754 -3.816 647 HA2 GLY 90 1HA GLY 90 -5.136 -13.189 -3.289 648 HA3 GLY 90 2HA GLY 90 -5.004 -12.417 -4.862 649 HA PRO 91 HA PRO 91 -2.037 -15.941 -4.852 650 HB2 PRO 91 1HB PRO 91 -2.574 -16.682 -7.408 651 HB3 PRO 91 2HB PRO 91 -3.529 -17.235 -6.027 652 HG2 PRO 91 1HG PRO 91 -4.108 -15.034 -7.971 653 HG3 PRO 91 2HG PRO 91 -5.204 -16.265 -7.316 654 HD2 PRO 91 1HD PRO 91 -5.133 -13.727 -6.373 655 HD3 PRO 91 2HD PRO 91 -5.510 -15.120 -5.339 656 H LEU 92 H LEU 92 0.003 -15.986 -5.725 657 HA LEU 92 HA LEU 92 1.225 -13.669 -6.558 658 HB2 LEU 92 1HB LEU 92 3.108 -15.015 -7.216 659 HB3 LEU 92 2HB LEU 92 2.403 -15.662 -5.736 660 HG LEU 92 HG LEU 92 1.745 -16.829 -8.423 661 HD11 LEU 92 1HD1 LEU 92 4.106 -16.968 -8.380 662 HD12 LEU 92 2HD1 LEU 92 3.506 -18.544 -7.865 663 HD13 LEU 92 3HD1 LEU 92 4.122 -17.403 -6.671 664 HD21 LEU 92 1HD2 LEU 92 0.271 -17.630 -6.810 665 HD22 LEU 92 2HD2 LEU 92 1.514 -17.687 -5.560 666 HD23 LEU 92 3HD2 LEU 92 1.525 -18.869 -6.870 667 H GLY 93 H GLY 93 -0.466 -16.053 -8.476 668 HA2 GLY 93 1HA GLY 93 -0.534 -14.226 -10.715 669 HA3 GLY 93 2HA GLY 93 0.384 -15.694 -11.017 670 H GLU 94 H GLU 94 -1.021 -16.455 -12.592 671 HA GLU 94 HA GLU 94 -3.436 -17.696 -11.539 672 HB2 GLU 94 1HB GLU 94 -3.414 -15.767 -13.858 673 HB3 GLU 94 2HB GLU 94 -4.711 -16.924 -13.594 674 HG2 GLU 94 1HG GLU 94 -5.070 -15.915 -11.351 675 HG3 GLU 94 2HG GLU 94 -3.881 -14.683 -11.768 676 H GLY 95 H GLY 95 -3.975 -19.601 -12.541 677 HA2 GLY 95 1HA GLY 95 -3.176 -20.423 -15.093 678 HA3 GLY 95 2HA GLY 95 -1.949 -20.960 -13.955 679 H GLY 96 H GLY 96 -3.326 -22.812 -15.414 680 HA2 GLY 96 1HA GLY 96 -5.003 -24.066 -13.334 681 HA3 GLY 96 2HA GLY 96 -5.486 -24.089 -15.024 682 H SER 97 H SER 97 -3.895 -25.760 -12.606 683 HA SER 97 HA SER 97 -2.526 -27.469 -14.579 684 HB2 SER 97 1HB SER 97 -1.809 -26.881 -11.702 685 HB3 SER 97 2HB SER 97 -1.066 -28.175 -12.642 686 HG SER 97 HG SER 97 -1.115 -25.553 -13.655 687 H GLY 98 H GLY 98 -3.965 -29.057 -14.981 688 HA2 GLY 98 1HA GLY 98 -5.961 -30.091 -13.461 689 HA3 GLY 98 2HA GLY 98 -5.024 -31.070 -14.580 690 HA PRO 99 HA PRO 99 -4.268 -32.083 -9.932 691 HB2 PRO 99 1HB PRO 99 -6.214 -33.920 -9.470 692 HB3 PRO 99 2HB PRO 99 -6.422 -32.196 -9.140 693 HG2 PRO 99 1HG PRO 99 -7.344 -33.798 -11.494 694 HG3 PRO 99 2HG PRO 99 -8.213 -32.551 -10.580 695 HD2 PRO 99 1HD PRO 99 -7.027 -32.050 -12.962 696 HD3 PRO 99 2HD PRO 99 -7.154 -30.826 -11.682 697 H SER 100 H SER 100 -2.425 -33.133 -10.639 698 HA SER 100 HA SER 100 -2.796 -35.874 -11.658 699 HB2 SER 100 1HB SER 100 -0.795 -35.691 -12.885 700 HB3 SER 100 2HB SER 100 -1.575 -34.125 -13.111 701 HG SER 100 HG SER 100 0.623 -33.883 -12.574 702 H SER 101 H SER 101 -2.714 -37.159 -9.911 703 HA SER 101 HA SER 101 -0.488 -36.772 -8.019 704 HB2 SER 101 1HB SER 101 -1.887 -38.037 -6.390 705 HB3 SER 101 2HB SER 101 -2.638 -36.532 -6.917 706 HG SER 101 HG SER 101 -3.798 -38.784 -6.933 707 H GLY 102 H GLY 102 1.056 -37.995 -9.070 708 HA2 GLY 102 1HA GLY 102 2.110 -40.156 -8.890 709 HA3 GLY 102 2HA GLY 102 0.526 -40.893 -9.076 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -21.970 1.997 7.133 2 HA2 GLY 1 1HA GLY 1 -21.096 0.181 9.215 3 HA3 GLY 1 2HA GLY 1 -22.633 0.134 8.364 4 H SER 2 H SER 2 -22.720 -1.947 7.715 5 HA SER 2 HA SER 2 -20.778 -2.775 5.701 6 HB2 SER 2 1HB SER 2 -21.498 -4.545 8.049 7 HB3 SER 2 2HB SER 2 -20.423 -4.960 6.714 8 HG SER 2 HG SER 2 -19.034 -3.284 7.417 9 H SER 3 H SER 3 -21.626 -4.052 4.114 10 HA SER 3 HA SER 3 -24.497 -4.675 4.349 11 HB2 SER 3 1HB SER 3 -22.852 -3.585 2.118 12 HB3 SER 3 2HB SER 3 -24.173 -4.674 1.696 13 HG SER 3 HG SER 3 -24.249 -2.096 2.635 14 H GLY 4 H GLY 4 -21.563 -5.746 2.617 15 HA2 GLY 4 1HA GLY 4 -20.830 -8.064 2.986 16 HA3 GLY 4 2HA GLY 4 -22.527 -8.519 2.957 17 H SER 5 H SER 5 -19.719 -7.825 1.084 18 HA SER 5 HA SER 5 -21.231 -8.193 -1.410 19 HB2 SER 5 1HB SER 5 -19.281 -7.260 -2.555 20 HB3 SER 5 2HB SER 5 -19.821 -6.166 -1.281 21 HG SER 5 HG SER 5 -18.156 -7.418 0.018 22 H SER 6 H SER 6 -20.488 -9.675 -2.988 23 HA SER 6 HA SER 6 -18.526 -11.660 -2.091 24 HB2 SER 6 1HB SER 6 -21.334 -12.275 -3.035 25 HB3 SER 6 2HB SER 6 -20.057 -13.484 -2.898 26 HG SER 6 HG SER 6 -20.673 -11.851 -0.697 27 H GLY 7 H GLY 7 -17.513 -12.831 -3.766 28 HA2 GLY 7 1HA GLY 7 -17.573 -13.353 -6.212 29 HA3 GLY 7 2HA GLY 7 -17.907 -11.643 -6.444 30 H ARG 8 H ARG 8 -15.694 -13.341 -7.433 31 HA ARG 8 HA ARG 8 -13.281 -13.208 -6.315 32 HB2 ARG 8 1HB ARG 8 -13.307 -13.968 -8.523 33 HB3 ARG 8 2HB ARG 8 -14.111 -12.520 -9.114 34 HG2 ARG 8 1HG ARG 8 -11.894 -12.417 -9.899 35 HG3 ARG 8 2HG ARG 8 -11.996 -11.264 -8.566 36 HD2 ARG 8 1HD ARG 8 -10.024 -12.355 -8.084 37 HD3 ARG 8 2HD ARG 8 -11.183 -13.279 -7.129 38 HE ARG 8 HE ARG 8 -10.834 -15.092 -8.500 39 HH11 ARG 8 1HH1 ARG 8 -9.394 -12.253 -9.911 40 HH12 ARG 8 2HH1 ARG 8 -8.547 -13.134 -11.139 41 HH21 ARG 8 1HH2 ARG 8 -9.723 -16.263 -10.112 42 HH22 ARG 8 2HH2 ARG 8 -8.735 -15.414 -11.253 43 H ALA 9 H ALA 9 -12.656 -11.677 -4.904 44 HA ALA 9 HA ALA 9 -13.237 -8.968 -4.962 45 HB1 ALA 9 1HB ALA 9 -10.776 -9.060 -3.736 46 HB2 ALA 9 2HB ALA 9 -12.334 -9.319 -2.951 47 HB3 ALA 9 3HB ALA 9 -11.394 -10.698 -3.520 48 HA PRO 10 HA PRO 10 -10.743 -7.173 -8.099 49 HB2 PRO 10 1HB PRO 10 -10.225 -4.740 -7.013 50 HB3 PRO 10 2HB PRO 10 -11.813 -5.193 -7.642 51 HG2 PRO 10 1HG PRO 10 -10.835 -5.165 -4.813 52 HG3 PRO 10 2HG PRO 10 -12.390 -4.616 -5.465 53 HD2 PRO 10 1HD PRO 10 -12.091 -7.008 -4.233 54 HD3 PRO 10 2HD PRO 10 -13.252 -6.752 -5.551 55 H SER 11 H SER 11 -8.820 -8.248 -8.261 56 HA SER 11 HA SER 11 -6.804 -8.288 -6.293 57 HB2 SER 11 1HB SER 11 -5.340 -9.114 -8.152 58 HB3 SER 11 2HB SER 11 -6.857 -9.999 -7.996 59 HG SER 11 HG SER 11 -6.690 -7.800 -9.739 60 H VAL 12 H VAL 12 -6.128 -6.334 -5.561 61 HA VAL 12 HA VAL 12 -5.173 -4.369 -7.528 62 HB VAL 12 HB VAL 12 -5.059 -2.854 -5.462 63 HG11 VAL 12 1HG1 VAL 12 -7.534 -2.438 -5.552 64 HG12 VAL 12 2HG1 VAL 12 -6.725 -2.482 -7.120 65 HG13 VAL 12 3HG1 VAL 12 -7.667 -3.869 -6.573 66 HG21 VAL 12 1HG2 VAL 12 -5.348 -4.950 -3.958 67 HG22 VAL 12 2HG2 VAL 12 -6.149 -3.446 -3.506 68 HG23 VAL 12 3HG2 VAL 12 -7.067 -4.734 -4.286 69 H ALA 13 H ALA 13 -4.109 -6.661 -5.244 70 HA ALA 13 HA ALA 13 -1.357 -5.677 -5.537 71 HB1 ALA 13 1HB ALA 13 -2.422 -5.125 -3.270 72 HB2 ALA 13 2HB ALA 13 -2.289 -6.853 -2.941 73 HB3 ALA 13 3HB ALA 13 -0.840 -5.905 -3.274 74 H THR 14 H THR 14 0.271 -7.371 -5.037 75 HA THR 14 HA THR 14 -0.755 -10.059 -5.682 76 HB THR 14 HB THR 14 1.891 -8.903 -6.579 77 HG1 THR 14 1HG THR 14 -0.052 -8.034 -7.626 78 HG21 THR 14 1HG2 THR 14 0.519 -11.440 -7.463 79 HG22 THR 14 2HG2 THR 14 1.768 -11.388 -6.219 80 HG23 THR 14 3HG2 THR 14 2.146 -10.898 -7.870 81 H VAL 15 H VAL 15 0.188 -11.811 -4.663 82 HA VAL 15 HA VAL 15 1.384 -11.279 -2.114 83 HB VAL 15 HB VAL 15 -0.163 -13.123 -2.306 84 HG11 VAL 15 1HG1 VAL 15 0.025 -13.826 -4.541 85 HG12 VAL 15 2HG1 VAL 15 1.757 -14.128 -4.387 86 HG13 VAL 15 3HG1 VAL 15 0.601 -15.189 -3.582 87 HG21 VAL 15 1HG2 VAL 15 2.668 -13.681 -1.589 88 HG22 VAL 15 2HG2 VAL 15 1.231 -13.636 -0.568 89 HG23 VAL 15 3HG2 VAL 15 1.529 -15.028 -1.609 90 H GLY 16 H GLY 16 3.470 -11.425 -1.501 91 HA2 GLY 16 1HA GLY 16 5.726 -11.960 -1.597 92 HA3 GLY 16 2HA GLY 16 5.424 -12.836 -3.090 93 H SER 17 H SER 17 4.292 -10.819 -4.635 94 HA SER 17 HA SER 17 6.650 -9.426 -5.453 95 HB2 SER 17 1HB SER 17 3.805 -9.502 -6.420 96 HB3 SER 17 2HB SER 17 4.937 -8.314 -7.065 97 HG SER 17 HG SER 17 6.327 -10.313 -7.364 98 H ILE 18 H ILE 18 7.013 -7.190 -5.508 99 HA ILE 18 HA ILE 18 6.269 -5.769 -3.205 100 HB ILE 18 HB ILE 18 7.385 -4.689 -5.795 101 HG12 ILE 18 1HG1 ILE 18 8.712 -6.480 -4.573 102 HG13 ILE 18 2HG1 ILE 18 9.547 -4.955 -4.845 103 HG21 ILE 18 1HG2 ILE 18 7.981 -2.721 -4.626 104 HG22 ILE 18 2HG2 ILE 18 6.288 -3.028 -4.243 105 HG23 ILE 18 3HG2 ILE 18 7.543 -3.427 -3.070 106 HD11 ILE 18 1HD1 ILE 18 9.378 -4.336 -2.601 107 HD12 ILE 18 2HD1 ILE 18 8.131 -5.539 -2.271 108 HD13 ILE 18 3HD1 ILE 18 9.793 -6.049 -2.565 109 H CYS 19 H CYS 19 4.751 -4.232 -2.796 110 HA CYS 19 HA CYS 19 2.698 -3.852 -4.869 111 HB2 CYS 19 1HB CYS 19 1.843 -4.944 -2.877 112 HB3 CYS 19 2HB CYS 19 2.500 -3.671 -1.857 113 HG CYS 19 HG CYS 19 -0.473 -3.823 -2.674 114 H ASP 20 H ASP 20 2.419 -1.899 -5.717 115 HA ASP 20 HA ASP 20 3.794 0.372 -4.463 116 HB2 ASP 20 1HB ASP 20 3.858 1.403 -6.604 117 HB3 ASP 20 2HB ASP 20 4.297 -0.283 -6.862 118 H LEU 21 H LEU 21 2.706 2.063 -3.663 119 HA LEU 21 HA LEU 21 -0.219 2.070 -3.984 120 HB2 LEU 21 1HB LEU 21 1.029 1.861 -1.685 121 HB3 LEU 21 2HB LEU 21 1.181 3.609 -1.847 122 HG LEU 21 HG LEU 21 -1.316 3.717 -2.048 123 HD11 LEU 21 1HD1 LEU 21 -0.958 0.816 -1.873 124 HD12 LEU 21 2HD1 LEU 21 -2.291 1.761 -2.535 125 HD13 LEU 21 3HD1 LEU 21 -2.197 1.467 -0.799 126 HD21 LEU 21 1HD2 LEU 21 -0.081 4.173 0.051 127 HD22 LEU 21 2HD2 LEU 21 -0.291 2.482 0.506 128 HD23 LEU 21 3HD2 LEU 21 -1.700 3.528 0.321 129 H ASN 22 H ASN 22 -1.144 3.694 -5.046 130 HA ASN 22 HA ASN 22 0.490 5.873 -6.022 131 HB2 ASN 22 1HB ASN 22 -2.460 5.384 -6.476 132 HB3 ASN 22 2HB ASN 22 -1.405 6.438 -7.412 133 HD21 ASN 22 1HD2 ASN 22 0.750 5.010 -7.945 134 HD22 ASN 22 2HD2 ASN 22 0.364 3.575 -8.826 135 H LEU 23 H LEU 23 0.912 7.350 -4.466 136 HA LEU 23 HA LEU 23 -1.411 8.653 -3.212 137 HB2 LEU 23 1HB LEU 23 1.114 7.667 -1.994 138 HB3 LEU 23 2HB LEU 23 0.421 9.162 -1.369 139 HG LEU 23 HG LEU 23 -0.943 6.470 -1.440 140 HD11 LEU 23 1HD1 LEU 23 -0.620 6.376 0.896 141 HD12 LEU 23 2HD1 LEU 23 -0.043 8.040 0.960 142 HD13 LEU 23 3HD1 LEU 23 0.947 6.793 0.203 143 HD21 LEU 23 1HD2 LEU 23 -2.742 7.864 -1.539 144 HD22 LEU 23 2HD2 LEU 23 -1.877 9.218 -0.813 145 HD23 LEU 23 3HD2 LEU 23 -2.457 7.896 0.201 146 H LYS 24 H LYS 24 -1.459 10.833 -3.292 147 HA LYS 24 HA LYS 24 0.958 12.311 -3.990 148 HB2 LYS 24 1HB LYS 24 -0.117 13.482 -5.834 149 HB3 LYS 24 2HB LYS 24 -0.095 11.751 -6.143 150 HG2 LYS 24 1HG LYS 24 -2.484 11.835 -5.082 151 HG3 LYS 24 2HG LYS 24 -2.395 13.540 -5.530 152 HD2 LYS 24 1HD LYS 24 -3.407 12.463 -7.364 153 HD3 LYS 24 2HD LYS 24 -1.732 12.738 -7.850 154 HE2 LYS 24 1HE LYS 24 -2.066 10.547 -8.497 155 HE3 LYS 24 2HE LYS 24 -1.342 10.351 -6.901 156 HZ1 LYS 24 1HZ LYS 24 -3.881 9.505 -7.817 157 HZ2 LYS 24 2HZ LYS 24 -4.069 10.546 -6.497 158 HZ3 LYS 24 3HZ LYS 24 -3.110 9.160 -6.351 159 H ILE 25 H ILE 25 1.111 13.932 -2.601 160 HA ILE 25 HA ILE 25 -1.210 15.571 -2.002 161 HB ILE 25 HB ILE 25 0.354 14.676 0.375 162 HG12 ILE 25 1HG1 ILE 25 -2.032 13.157 -0.692 163 HG13 ILE 25 2HG1 ILE 25 -0.367 12.609 -0.854 164 HG21 ILE 25 1HG2 ILE 25 -2.570 15.064 0.428 165 HG22 ILE 25 2HG2 ILE 25 -1.331 15.601 1.562 166 HG23 ILE 25 3HG2 ILE 25 -1.600 16.491 0.063 167 HD11 ILE 25 1HD1 ILE 25 -1.910 11.764 1.092 168 HD12 ILE 25 2HD1 ILE 25 -0.191 12.063 1.350 169 HD13 ILE 25 3HD1 ILE 25 -1.381 13.261 1.859 170 HA PRO 26 HA PRO 26 2.346 18.299 -2.523 171 HB2 PRO 26 1HB PRO 26 0.849 20.520 -2.966 172 HB3 PRO 26 2HB PRO 26 1.178 19.317 -4.219 173 HG2 PRO 26 1HG PRO 26 -1.259 19.658 -2.514 174 HG3 PRO 26 2HG PRO 26 -1.148 19.308 -4.248 175 HD2 PRO 26 1HD PRO 26 -1.649 17.389 -2.404 176 HD3 PRO 26 2HD PRO 26 -0.746 17.065 -3.898 177 H GLU 27 H GLU 27 -0.474 18.748 -0.459 178 HA GLU 27 HA GLU 27 0.625 20.859 1.099 179 HB2 GLU 27 1HB GLU 27 -1.725 19.036 1.332 180 HB3 GLU 27 2HB GLU 27 -1.203 19.907 2.767 181 HG2 GLU 27 1HG GLU 27 -2.024 21.116 0.137 182 HG3 GLU 27 2HG GLU 27 -2.948 21.128 1.638 183 H ILE 28 H ILE 28 0.825 17.387 1.214 184 HA ILE 28 HA ILE 28 2.320 17.556 3.746 185 HB ILE 28 HB ILE 28 0.985 15.153 2.494 186 HG12 ILE 28 1HG1 ILE 28 0.278 16.718 4.986 187 HG13 ILE 28 2HG1 ILE 28 -0.584 16.810 3.454 188 HG21 ILE 28 1HG2 ILE 28 2.207 13.870 3.828 189 HG22 ILE 28 2HG2 ILE 28 3.118 15.292 4.332 190 HG23 ILE 28 3HG2 ILE 28 1.688 14.795 5.236 191 HD11 ILE 28 1HD1 ILE 28 -1.093 14.389 3.674 192 HD12 ILE 28 2HD1 ILE 28 -0.373 14.436 5.284 193 HD13 ILE 28 3HD1 ILE 28 -1.808 15.399 4.930 194 H ASN 29 H ASN 29 4.410 16.964 3.817 195 HA ASN 29 HA ASN 29 5.695 16.263 1.294 196 HB2 ASN 29 1HB ASN 29 6.601 17.443 3.878 197 HB3 ASN 29 2HB ASN 29 7.782 16.555 2.919 198 HD21 ASN 29 1HD2 ASN 29 8.575 17.439 1.079 199 HD22 ASN 29 2HD2 ASN 29 8.187 19.031 0.531 200 H SER 30 H SER 30 6.703 14.365 0.892 201 HA SER 30 HA SER 30 5.968 12.035 2.160 202 HB2 SER 30 1HB SER 30 8.072 11.058 1.060 203 HB3 SER 30 2HB SER 30 6.898 11.833 -0.004 204 HG SER 30 HG SER 30 9.043 12.504 -0.448 205 H SER 31 H SER 31 8.704 14.135 2.837 206 HA SER 31 HA SER 31 10.092 12.426 4.588 207 HB2 SER 31 1HB SER 31 11.207 14.469 5.393 208 HB3 SER 31 2HB SER 31 11.106 14.449 3.632 209 HG SER 31 HG SER 31 10.497 16.469 4.738 210 H ASP 32 H ASP 32 7.349 14.540 5.047 211 HA ASP 32 HA ASP 32 7.388 14.077 7.936 212 HB2 ASP 32 1HB ASP 32 6.047 16.043 6.139 213 HB3 ASP 32 2HB ASP 32 5.256 15.640 7.661 214 H MET 33 H MET 33 6.711 12.026 5.860 215 HA MET 33 HA MET 33 3.965 11.419 6.741 216 HB2 MET 33 1HB MET 33 5.394 10.973 4.162 217 HB3 MET 33 2HB MET 33 4.197 9.784 4.659 218 HG2 MET 33 1HG MET 33 2.710 11.918 5.026 219 HG3 MET 33 2HG MET 33 3.839 12.626 3.873 220 HE1 MET 33 1HE MET 33 4.151 11.709 1.344 221 HE2 MET 33 2HE MET 33 4.613 10.183 2.097 222 HE3 MET 33 3HE MET 33 3.414 10.200 0.802 223 H SER 34 H SER 34 3.475 9.092 6.978 224 HA SER 34 HA SER 34 5.691 7.294 7.421 225 HB2 SER 34 1HB SER 34 3.976 8.199 9.747 226 HB3 SER 34 2HB SER 34 5.136 6.872 9.798 227 HG SER 34 HG SER 34 6.782 8.369 9.367 228 H ALA 35 H ALA 35 5.023 5.443 6.585 229 HA ALA 35 HA ALA 35 2.182 4.707 6.871 230 HB1 ALA 35 1HB ALA 35 4.108 4.244 4.615 231 HB2 ALA 35 2HB ALA 35 2.633 3.293 4.794 232 HB3 ALA 35 3HB ALA 35 2.534 5.041 4.579 233 H HIS 36 H HIS 36 1.681 2.492 7.208 234 HA HIS 36 HA HIS 36 3.862 0.679 7.857 235 HB2 HIS 36 1HB HIS 36 1.740 1.404 9.888 236 HB3 HIS 36 2HB HIS 36 2.986 0.176 10.092 237 HD1 HIS 36 1HD HIS 36 2.487 3.890 10.028 238 HD2 HIS 36 2HD HIS 36 5.508 1.137 10.777 239 HE1 HIS 36 1HE HIS 36 4.365 5.214 11.050 240 HE2 HIS 36 2HE HIS 36 6.214 3.542 11.416 241 H VAL 37 H VAL 37 3.401 -1.309 7.174 242 HA VAL 37 HA VAL 37 0.705 -1.887 6.248 243 HB VAL 37 HB VAL 37 3.265 -3.467 5.971 244 HG11 VAL 37 1HG1 VAL 37 0.485 -3.971 4.938 245 HG12 VAL 37 2HG1 VAL 37 1.919 -4.708 4.220 246 HG13 VAL 37 3HG1 VAL 37 1.504 -5.040 5.901 247 HG21 VAL 37 1HG2 VAL 37 3.693 -1.909 4.421 248 HG22 VAL 37 2HG2 VAL 37 2.452 -2.718 3.464 249 HG23 VAL 37 3HG2 VAL 37 2.036 -1.307 4.435 250 H THR 38 H THR 38 -0.614 -2.481 7.875 251 HA THR 38 HA THR 38 0.331 -4.262 9.970 252 HB THR 38 HB THR 38 -2.454 -3.146 9.606 253 HG1 THR 38 1HG THR 38 -1.502 -1.312 10.081 254 HG21 THR 38 1HG2 THR 38 -2.243 -3.438 12.217 255 HG22 THR 38 2HG2 THR 38 -1.036 -4.641 11.762 256 HG23 THR 38 3HG2 THR 38 -2.696 -4.796 11.188 257 H SER 39 H SER 39 -0.113 -6.381 10.126 258 HA SER 39 HA SER 39 -1.486 -7.644 7.891 259 HB2 SER 39 1HB SER 39 0.366 -8.583 10.046 260 HB3 SER 39 2HB SER 39 -0.683 -9.759 9.253 261 HG SER 39 HG SER 39 0.950 -9.767 7.891 262 HA PRO 40 HA PRO 40 -5.223 -8.623 9.967 263 HB2 PRO 40 1HB PRO 40 -5.747 -11.126 9.056 264 HB3 PRO 40 2HB PRO 40 -5.896 -9.685 8.044 265 HG2 PRO 40 1HG PRO 40 -3.658 -11.667 8.199 266 HG3 PRO 40 2HG PRO 40 -4.396 -10.922 6.769 267 HD2 PRO 40 1HD PRO 40 -2.049 -10.064 7.812 268 HD3 PRO 40 2HD PRO 40 -3.195 -8.970 7.012 269 H SER 41 H SER 41 -2.383 -10.375 10.596 270 HA SER 41 HA SER 41 -3.615 -12.027 12.667 271 HB2 SER 41 1HB SER 41 -1.329 -13.003 12.894 272 HB3 SER 41 2HB SER 41 -1.987 -13.149 11.264 273 HG SER 41 HG SER 41 -0.398 -10.931 11.932 274 H GLY 42 H GLY 42 -1.862 -9.094 12.284 275 HA2 GLY 42 1HA GLY 42 -2.047 -7.567 14.222 276 HA3 GLY 42 2HA GLY 42 -1.547 -8.926 15.218 277 H ARG 43 H ARG 43 0.028 -8.726 12.204 278 HA ARG 43 HA ARG 43 2.437 -7.705 13.546 279 HB2 ARG 43 1HB ARG 43 2.677 -9.970 12.698 280 HB3 ARG 43 2HB ARG 43 2.149 -9.457 11.101 281 HG2 ARG 43 1HG ARG 43 4.202 -7.831 11.300 282 HG3 ARG 43 2HG ARG 43 4.754 -9.034 12.467 283 HD2 ARG 43 1HD ARG 43 3.746 -9.953 9.818 284 HD3 ARG 43 2HD ARG 43 5.353 -9.233 9.911 285 HE ARG 43 HE ARG 43 4.828 -11.340 11.823 286 HH11 ARG 43 1HH1 ARG 43 6.083 -10.492 8.689 287 HH12 ARG 43 2HH1 ARG 43 7.071 -11.909 8.556 288 HH21 ARG 43 1HH2 ARG 43 6.124 -13.210 11.660 289 HH22 ARG 43 2HH2 ARG 43 7.092 -13.455 10.247 290 H VAL 44 H VAL 44 2.865 -5.648 13.120 291 HA VAL 44 HA VAL 44 2.249 -4.608 10.431 292 HB VAL 44 HB VAL 44 0.915 -3.487 12.120 293 HG11 VAL 44 1HG1 VAL 44 2.490 -3.960 14.007 294 HG12 VAL 44 2HG1 VAL 44 3.488 -2.625 13.429 295 HG13 VAL 44 3HG1 VAL 44 1.841 -2.320 13.983 296 HG21 VAL 44 1HG2 VAL 44 3.091 -1.989 10.745 297 HG22 VAL 44 2HG2 VAL 44 1.351 -1.963 10.462 298 HG23 VAL 44 3HG2 VAL 44 2.030 -1.118 11.853 299 H THR 45 H THR 45 3.821 -3.597 9.288 300 HA THR 45 HA THR 45 6.456 -3.308 10.579 301 HB THR 45 HB THR 45 7.250 -3.696 8.076 302 HG1 THR 45 1HG THR 45 5.502 -4.211 6.951 303 HG21 THR 45 1HG2 THR 45 6.437 -6.089 9.711 304 HG22 THR 45 2HG2 THR 45 7.759 -5.025 10.192 305 HG23 THR 45 3HG2 THR 45 7.844 -5.902 8.665 306 H GLU 46 H GLU 46 7.933 -1.849 9.236 307 HA GLU 46 HA GLU 46 6.458 0.601 8.682 308 HB2 GLU 46 1HB GLU 46 8.371 0.745 10.187 309 HB3 GLU 46 2HB GLU 46 9.423 0.080 8.946 310 HG2 GLU 46 1HG GLU 46 8.642 2.121 7.551 311 HG3 GLU 46 2HG GLU 46 8.178 2.786 9.116 312 H ALA 47 H ALA 47 6.118 1.390 6.706 313 HA ALA 47 HA ALA 47 7.267 -0.038 4.427 314 HB1 ALA 47 1HB ALA 47 5.000 0.082 4.083 315 HB2 ALA 47 2HB ALA 47 4.860 1.678 4.821 316 HB3 ALA 47 3HB ALA 47 5.546 1.511 3.205 317 H GLU 48 H GLU 48 8.103 1.137 2.595 318 HA GLU 48 HA GLU 48 9.489 3.591 3.421 319 HB2 GLU 48 1HB GLU 48 11.027 1.881 2.771 320 HB3 GLU 48 2HB GLU 48 10.118 1.534 1.306 321 HG2 GLU 48 1HG GLU 48 10.899 3.402 0.214 322 HG3 GLU 48 2HG GLU 48 11.272 4.252 1.712 323 H ILE 49 H ILE 49 9.199 5.478 2.374 324 HA ILE 49 HA ILE 49 7.201 5.515 0.225 325 HB ILE 49 HB ILE 49 8.206 7.820 1.898 326 HG12 ILE 49 1HG1 ILE 49 5.509 6.497 2.116 327 HG13 ILE 49 2HG1 ILE 49 6.883 5.950 3.070 328 HG21 ILE 49 1HG2 ILE 49 7.400 8.718 -0.108 329 HG22 ILE 49 2HG2 ILE 49 6.072 7.563 -0.195 330 HG23 ILE 49 3HG2 ILE 49 6.042 8.851 1.009 331 HD11 ILE 49 1HD1 ILE 49 5.302 8.448 3.272 332 HD12 ILE 49 2HD1 ILE 49 5.936 7.397 4.539 333 HD13 ILE 49 3HD1 ILE 49 7.013 8.508 3.695 334 H VAL 50 H VAL 50 8.423 5.095 -1.586 335 HA VAL 50 HA VAL 50 10.909 6.384 -2.128 336 HB VAL 50 HB VAL 50 9.051 4.981 -4.053 337 HG11 VAL 50 1HG1 VAL 50 12.015 5.325 -4.359 338 HG12 VAL 50 2HG1 VAL 50 10.816 4.899 -5.582 339 HG13 VAL 50 3HG1 VAL 50 10.882 6.543 -4.944 340 HG21 VAL 50 1HG2 VAL 50 9.605 3.416 -2.372 341 HG22 VAL 50 2HG2 VAL 50 10.694 3.083 -3.719 342 HG23 VAL 50 3HG2 VAL 50 11.280 3.964 -2.308 343 HA PRO 51 HA PRO 51 9.408 10.245 -3.652 344 HB2 PRO 51 1HB PRO 51 11.637 11.016 -4.997 345 HB3 PRO 51 2HB PRO 51 11.520 11.048 -3.233 346 HG2 PRO 51 1HG PRO 51 12.792 9.002 -5.009 347 HG3 PRO 51 2HG PRO 51 13.391 9.692 -3.490 348 HD2 PRO 51 1HD PRO 51 12.214 7.257 -3.619 349 HD3 PRO 51 2HD PRO 51 12.075 8.311 -2.197 350 H MET 52 H MET 52 8.005 10.453 -5.272 351 HA MET 52 HA MET 52 8.628 9.207 -7.860 352 HB2 MET 52 1HB MET 52 6.046 9.883 -6.486 353 HB3 MET 52 2HB MET 52 6.098 9.651 -8.228 354 HG2 MET 52 1HG MET 52 7.324 7.422 -7.554 355 HG3 MET 52 2HG MET 52 6.466 7.683 -6.037 356 HE1 MET 52 1HE MET 52 6.521 6.255 -9.363 357 HE2 MET 52 2HE MET 52 5.953 5.067 -8.191 358 HE3 MET 52 3HE MET 52 4.915 5.546 -9.534 359 H GLY 53 H GLY 53 7.705 12.214 -6.301 360 HA2 GLY 53 1HA GLY 53 8.859 13.810 -8.324 361 HA3 GLY 53 2HA GLY 53 7.118 13.755 -8.556 362 H LYS 54 H LYS 54 7.098 16.037 -8.169 363 HA LYS 54 HA LYS 54 8.019 17.253 -5.815 364 HB2 LYS 54 1HB LYS 54 5.772 18.035 -7.678 365 HB3 LYS 54 2HB LYS 54 6.380 19.064 -6.388 366 HG2 LYS 54 1HG LYS 54 8.684 18.613 -7.604 367 HG3 LYS 54 2HG LYS 54 7.618 18.336 -8.983 368 HD2 LYS 54 1HD LYS 54 6.545 20.559 -8.440 369 HD3 LYS 54 2HD LYS 54 7.872 20.826 -7.307 370 HE2 LYS 54 1HE LYS 54 8.325 20.158 -10.204 371 HE3 LYS 54 2HE LYS 54 8.131 21.815 -9.634 372 HZ1 LYS 54 1HZ LYS 54 9.997 20.659 -7.967 373 HZ2 LYS 54 2HZ LYS 54 10.287 21.797 -9.184 374 HZ3 LYS 54 3HZ LYS 54 10.419 20.144 -9.523 375 H ASN 55 H ASN 55 4.702 16.252 -6.670 376 HA ASN 55 HA ASN 55 4.133 16.049 -3.785 377 HB2 ASN 55 1HB ASN 55 1.683 16.411 -4.620 378 HB3 ASN 55 2HB ASN 55 2.752 17.799 -4.437 379 HD21 ASN 55 1HD2 ASN 55 2.015 19.143 -5.955 380 HD22 ASN 55 2HD2 ASN 55 1.922 18.777 -7.641 381 H SER 56 H SER 56 5.203 13.968 -5.457 382 HA SER 56 HA SER 56 2.933 12.087 -5.470 383 HB2 SER 56 1HB SER 56 4.080 12.650 -7.707 384 HB3 SER 56 2HB SER 56 5.442 11.711 -7.097 385 HG SER 56 HG SER 56 3.717 10.041 -6.701 386 H HIS 57 H HIS 57 3.227 10.049 -4.585 387 HA HIS 57 HA HIS 57 5.798 9.371 -3.404 388 HB2 HIS 57 1HB HIS 57 3.451 9.176 -1.573 389 HB3 HIS 57 2HB HIS 57 5.158 9.381 -1.191 390 HD1 HIS 57 1HD HIS 57 6.115 11.876 -1.773 391 HD2 HIS 57 2HD HIS 57 1.998 11.460 -1.409 392 HE1 HIS 57 1HE HIS 57 5.234 14.204 -1.413 393 HE2 HIS 57 2HE HIS 57 2.750 13.917 -1.110 394 H CYS 58 H CYS 58 6.084 7.182 -3.061 395 HA CYS 58 HA CYS 58 3.829 5.431 -3.772 396 HB2 CYS 58 1HB CYS 58 5.687 5.849 -5.582 397 HB3 CYS 58 2HB CYS 58 6.615 4.718 -4.605 398 HG CYS 58 HG CYS 58 4.206 2.915 -4.785 399 H VAL 59 H VAL 59 3.614 3.598 -2.585 400 HA VAL 59 HA VAL 59 5.566 3.208 -0.414 401 HB VAL 59 HB VAL 59 2.677 2.328 -0.470 402 HG11 VAL 59 1HG1 VAL 59 4.562 1.187 0.985 403 HG12 VAL 59 2HG1 VAL 59 4.284 2.590 2.018 404 HG13 VAL 59 3HG1 VAL 59 2.954 1.495 1.640 405 HG21 VAL 59 1HG2 VAL 59 2.047 4.324 0.294 406 HG22 VAL 59 2HG2 VAL 59 3.359 4.366 1.471 407 HG23 VAL 59 3HG2 VAL 59 3.640 4.915 -0.181 408 H ARG 60 H ARG 60 6.874 1.539 -0.722 409 HA ARG 60 HA ARG 60 5.890 -0.777 -2.245 410 HB2 ARG 60 1HB ARG 60 8.561 0.500 -1.935 411 HB3 ARG 60 2HB ARG 60 8.516 -1.245 -2.148 412 HG2 ARG 60 1HG ARG 60 7.202 -0.920 -4.216 413 HG3 ARG 60 2HG ARG 60 7.383 0.824 -4.016 414 HD2 ARG 60 1HD ARG 60 9.815 0.583 -4.133 415 HD3 ARG 60 2HD ARG 60 9.633 -1.160 -4.329 416 HE ARG 60 HE ARG 60 9.040 -0.829 -6.527 417 HH11 ARG 60 1HH1 ARG 60 9.068 2.217 -4.841 418 HH12 ARG 60 2HH1 ARG 60 8.913 3.165 -6.282 419 HH21 ARG 60 1HH2 ARG 60 8.835 0.408 -8.432 420 HH22 ARG 60 2HH2 ARG 60 8.780 2.135 -8.325 421 H PHE 61 H PHE 61 5.557 -2.643 -1.231 422 HA PHE 61 HA PHE 61 7.115 -3.417 1.070 423 HB2 PHE 61 1HB PHE 61 5.133 -3.751 2.533 424 HB3 PHE 61 2HB PHE 61 5.445 -2.055 2.179 425 HD1 PHE 61 1HD PHE 61 3.309 -4.938 1.282 426 HD2 PHE 61 2HD PHE 61 3.820 -0.714 1.149 427 HE1 PHE 61 1HE PHE 61 0.996 -4.686 0.481 428 HE2 PHE 61 2HE PHE 61 1.508 -0.456 0.348 429 HZ PHE 61 HZ PHE 61 0.093 -2.443 0.013 430 H VAL 62 H VAL 62 6.671 -5.627 1.752 431 HA VAL 62 HA VAL 62 5.663 -7.232 -0.492 432 HB VAL 62 HB VAL 62 7.393 -8.129 1.815 433 HG11 VAL 62 1HG1 VAL 62 6.187 -9.974 0.892 434 HG12 VAL 62 2HG1 VAL 62 6.564 -9.465 -0.755 435 HG13 VAL 62 3HG1 VAL 62 7.845 -10.063 0.300 436 HG21 VAL 62 1HG2 VAL 62 8.570 -6.487 0.459 437 HG22 VAL 62 2HG2 VAL 62 9.245 -8.097 0.205 438 HG23 VAL 62 3HG2 VAL 62 8.174 -7.389 -1.004 439 HA PRO 63 HA PRO 63 2.197 -7.892 2.348 440 HB2 PRO 63 1HB PRO 63 0.527 -8.828 0.423 441 HB3 PRO 63 2HB PRO 63 0.810 -7.104 0.694 442 HG2 PRO 63 1HG PRO 63 2.011 -8.921 -1.360 443 HG3 PRO 63 2HG PRO 63 1.406 -7.265 -1.548 444 HD2 PRO 63 1HD PRO 63 4.043 -7.834 -1.311 445 HD3 PRO 63 2HD PRO 63 3.331 -6.330 -0.692 446 H GLN 64 H GLN 64 0.589 -9.918 2.312 447 HA GLN 64 HA GLN 64 2.298 -12.313 2.162 448 HB2 GLN 64 1HB GLN 64 0.112 -11.569 4.100 449 HB3 GLN 64 2HB GLN 64 0.715 -13.214 3.945 450 HG2 GLN 64 1HG GLN 64 2.279 -10.784 4.779 451 HG3 GLN 64 2HG GLN 64 1.797 -12.143 5.793 452 HE21 GLN 64 1HE2 GLN 64 3.829 -11.165 3.107 453 HE22 GLN 64 2HE2 GLN 64 4.981 -12.443 3.267 454 H GLU 65 H GLU 65 0.889 -14.384 2.089 455 HA GLU 65 HA GLU 65 -0.754 -14.165 -0.278 456 HB2 GLU 65 1HB GLU 65 -0.739 -16.578 -0.301 457 HB3 GLU 65 2HB GLU 65 0.891 -16.001 0.018 458 HG2 GLU 65 1HG GLU 65 0.312 -16.335 2.493 459 HG3 GLU 65 2HG GLU 65 -1.043 -17.295 1.900 460 H MET 66 H MET 66 -2.921 -14.334 -0.409 461 HA MET 66 HA MET 66 -5.078 -14.106 0.321 462 HB2 MET 66 1HB MET 66 -4.586 -16.383 2.196 463 HB3 MET 66 2HB MET 66 -5.963 -16.083 1.144 464 HG2 MET 66 1HG MET 66 -3.225 -16.967 0.263 465 HG3 MET 66 2HG MET 66 -4.660 -17.983 0.380 466 HE1 MET 66 1HE MET 66 -2.930 -15.177 -2.208 467 HE2 MET 66 2HE MET 66 -2.392 -16.762 -1.652 468 HE3 MET 66 3HE MET 66 -3.132 -16.590 -3.244 469 H GLY 67 H GLY 67 -3.560 -12.278 1.624 470 HA2 GLY 67 1HA GLY 67 -4.812 -12.257 4.288 471 HA3 GLY 67 2HA GLY 67 -3.098 -11.903 4.131 472 H VAL 68 H VAL 68 -5.633 -10.342 4.924 473 HA VAL 68 HA VAL 68 -5.467 -8.134 3.012 474 HB VAL 68 HB VAL 68 -7.278 -8.294 5.416 475 HG11 VAL 68 1HG1 VAL 68 -8.098 -6.921 2.946 476 HG12 VAL 68 2HG1 VAL 68 -8.280 -6.434 4.633 477 HG13 VAL 68 3HG1 VAL 68 -6.741 -6.191 3.804 478 HG21 VAL 68 1HG2 VAL 68 -7.379 -9.793 2.917 479 HG22 VAL 68 2HG2 VAL 68 -8.264 -10.040 4.422 480 HG23 VAL 68 3HG2 VAL 68 -8.848 -8.871 3.238 481 H HIS 69 H HIS 69 -4.089 -6.536 3.368 482 HA HIS 69 HA HIS 69 -3.221 -6.001 6.128 483 HB2 HIS 69 1HB HIS 69 -1.831 -5.159 3.581 484 HB3 HIS 69 2HB HIS 69 -1.189 -5.089 5.219 485 HD1 HIS 69 1HD HIS 69 -2.603 -7.867 3.018 486 HD2 HIS 69 2HD HIS 69 0.554 -7.101 5.608 487 HE1 HIS 69 1HE HIS 69 -1.243 -9.981 3.064 488 HE2 HIS 69 2HE HIS 69 0.614 -9.524 4.703 489 H THR 70 H THR 70 -2.827 -3.756 6.718 490 HA THR 70 HA THR 70 -4.520 -1.861 5.228 491 HB THR 70 HB THR 70 -4.259 -1.631 8.200 492 HG1 THR 70 1HG THR 70 -5.837 -3.490 6.771 493 HG21 THR 70 1HG2 THR 70 -6.708 -1.092 6.570 494 HG22 THR 70 2HG2 THR 70 -5.361 0.046 6.522 495 HG23 THR 70 3HG2 THR 70 -6.157 -0.317 8.054 496 H VAL 71 H VAL 71 -3.575 0.010 4.714 497 HA VAL 71 HA VAL 71 -0.886 0.529 5.727 498 HB VAL 71 HB VAL 71 -2.320 2.075 3.575 499 HG11 VAL 71 1HG1 VAL 71 0.594 1.686 4.245 500 HG12 VAL 71 2HG1 VAL 71 -0.010 2.552 2.831 501 HG13 VAL 71 3HG1 VAL 71 -0.351 3.160 4.451 502 HG21 VAL 71 1HG2 VAL 71 -2.381 0.082 2.500 503 HG22 VAL 71 2HG2 VAL 71 -0.695 0.477 2.165 504 HG23 VAL 71 3HG2 VAL 71 -1.098 -0.615 3.490 505 H SER 72 H SER 72 -0.867 1.622 7.593 506 HA SER 72 HA SER 72 -2.845 3.701 8.098 507 HB2 SER 72 1HB SER 72 -0.621 2.742 9.912 508 HB3 SER 72 2HB SER 72 -2.025 3.705 10.371 509 HG SER 72 HG SER 72 -3.336 1.920 9.849 510 H VAL 73 H VAL 73 -2.362 5.522 7.003 511 HA VAL 73 HA VAL 73 0.376 6.583 7.230 512 HB VAL 73 HB VAL 73 -1.756 7.081 5.158 513 HG11 VAL 73 1HG1 VAL 73 -0.953 9.148 4.942 514 HG12 VAL 73 2HG1 VAL 73 0.382 8.823 6.050 515 HG13 VAL 73 3HG1 VAL 73 0.532 8.410 4.341 516 HG21 VAL 73 1HG2 VAL 73 -0.543 5.792 3.769 517 HG22 VAL 73 2HG2 VAL 73 0.996 6.388 4.390 518 HG23 VAL 73 3HG2 VAL 73 0.121 5.129 5.262 519 H LYS 74 H LYS 74 0.331 7.768 9.076 520 HA LYS 74 HA LYS 74 -1.843 9.700 9.449 521 HB2 LYS 74 1HB LYS 74 0.100 8.360 11.268 522 HB3 LYS 74 2HB LYS 74 -0.467 9.964 11.714 523 HG2 LYS 74 1HG LYS 74 -2.824 9.006 11.342 524 HG3 LYS 74 2HG LYS 74 -2.032 7.430 11.421 525 HD2 LYS 74 1HD LYS 74 -1.488 7.664 13.640 526 HD3 LYS 74 2HD LYS 74 -1.457 9.427 13.557 527 HE2 LYS 74 1HE LYS 74 -4.024 9.125 13.087 528 HE3 LYS 74 2HE LYS 74 -3.771 7.575 13.887 529 HZ1 LYS 74 1HZ LYS 74 -4.445 9.260 15.466 530 HZ2 LYS 74 2HZ LYS 74 -3.142 10.244 15.028 531 HZ3 LYS 74 3HZ LYS 74 -2.862 8.763 15.796 532 H TYR 75 H TYR 75 -1.307 11.887 10.126 533 HA TYR 75 HA TYR 75 1.359 12.802 9.315 534 HB2 TYR 75 1HB TYR 75 0.114 13.222 7.344 535 HB3 TYR 75 2HB TYR 75 -1.281 13.796 8.251 536 HD1 TYR 75 1HD TYR 75 2.164 14.643 7.208 537 HD2 TYR 75 2HD TYR 75 -1.467 16.072 8.905 538 HE1 TYR 75 1HE TYR 75 2.970 16.955 6.971 539 HE2 TYR 75 2HE TYR 75 -0.671 18.388 8.671 540 HH TYR 75 HH TYR 75 1.017 19.610 7.154 541 H ARG 76 H ARG 76 2.107 13.566 11.195 542 HA ARG 76 HA ARG 76 2.315 14.818 13.082 543 HB2 ARG 76 1HB ARG 76 0.449 16.480 11.423 544 HB3 ARG 76 2HB ARG 76 0.849 16.975 13.062 545 HG2 ARG 76 1HG ARG 76 3.313 16.613 12.219 546 HG3 ARG 76 2HG ARG 76 2.565 16.862 10.640 547 HD2 ARG 76 1HD ARG 76 3.405 18.961 11.553 548 HD3 ARG 76 2HD ARG 76 1.649 18.992 11.403 549 HE ARG 76 HE ARG 76 2.027 18.192 13.955 550 HH11 ARG 76 1HH1 ARG 76 3.256 20.861 12.087 551 HH12 ARG 76 2HH1 ARG 76 3.402 21.918 13.452 552 HH21 ARG 76 1HH2 ARG 76 2.215 19.575 15.759 553 HH22 ARG 76 2HH2 ARG 76 2.810 21.185 15.540 554 H GLY 77 H GLY 77 0.548 12.617 13.207 555 HA2 GLY 77 1HA GLY 77 -0.842 11.721 14.818 556 HA3 GLY 77 2HA GLY 77 -0.887 13.298 15.593 557 H GLN 78 H GLN 78 -1.813 12.531 12.271 558 HA GLN 78 HA GLN 78 -4.629 12.604 12.874 559 HB2 GLN 78 1HB GLN 78 -3.301 14.890 11.419 560 HB3 GLN 78 2HB GLN 78 -5.027 14.566 11.329 561 HG2 GLN 78 1HG GLN 78 -5.060 14.743 13.848 562 HG3 GLN 78 2HG GLN 78 -3.418 15.371 13.731 563 HE21 GLN 78 1HE2 GLN 78 -5.361 16.885 14.869 564 HE22 GLN 78 2HE2 GLN 78 -5.753 18.220 13.845 565 H HIS 79 H HIS 79 -5.228 10.897 11.707 566 HA HIS 79 HA HIS 79 -3.965 9.864 9.465 567 HB2 HIS 79 1HB HIS 79 -6.706 9.580 10.621 568 HB3 HIS 79 2HB HIS 79 -6.392 8.911 9.022 569 HD1 HIS 79 1HD HIS 79 -4.029 7.351 9.070 570 HD2 HIS 79 2HD HIS 79 -6.256 7.760 12.554 571 HE1 HIS 79 1HE HIS 79 -3.351 5.421 10.532 572 HE2 HIS 79 2HE HIS 79 -4.773 5.642 12.599 573 H VAL 80 H VAL 80 -4.025 10.259 7.326 574 HA VAL 80 HA VAL 80 -5.254 12.705 6.427 575 HB VAL 80 HB VAL 80 -4.185 12.235 4.275 576 HG11 VAL 80 1HG1 VAL 80 -2.441 11.848 6.701 577 HG12 VAL 80 2HG1 VAL 80 -1.819 12.177 5.082 578 HG13 VAL 80 3HG1 VAL 80 -2.840 13.364 5.894 579 HG21 VAL 80 1HG2 VAL 80 -3.495 9.604 5.566 580 HG22 VAL 80 2HG2 VAL 80 -4.407 9.876 4.081 581 HG23 VAL 80 3HG2 VAL 80 -2.678 10.223 4.130 582 H THR 81 H THR 81 -6.236 12.531 4.074 583 HA THR 81 HA THR 81 -8.711 11.168 4.360 584 HB THR 81 HB THR 81 -8.186 13.332 3.024 585 HG1 THR 81 1HG THR 81 -9.852 11.419 1.740 586 HG21 THR 81 1HG2 THR 81 -6.519 11.913 1.583 587 HG22 THR 81 2HG2 THR 81 -7.501 13.167 0.825 588 HG23 THR 81 3HG2 THR 81 -7.976 11.474 0.693 589 H GLY 82 H GLY 82 -9.389 9.242 3.605 590 HA2 GLY 82 1HA GLY 82 -9.420 7.364 2.201 591 HA3 GLY 82 2HA GLY 82 -7.875 7.866 1.531 592 H SER 83 H SER 83 -6.775 8.221 4.289 593 HA SER 83 HA SER 83 -6.004 5.436 4.661 594 HB2 SER 83 1HB SER 83 -4.109 6.813 4.618 595 HB3 SER 83 2HB SER 83 -4.882 8.067 5.587 596 HG SER 83 HG SER 83 -4.794 6.609 7.366 597 HA PRO 84 HA PRO 84 -4.870 4.322 6.309 598 HB2 PRO 84 1HB PRO 84 -5.758 1.913 7.190 599 HB3 PRO 84 2HB PRO 84 -4.947 3.080 8.241 600 HG2 PRO 84 1HG PRO 84 -7.873 2.529 7.925 601 HG3 PRO 84 2HG PRO 84 -6.939 2.800 9.408 602 HD2 PRO 84 1HD PRO 84 -8.449 4.734 8.263 603 HD3 PRO 84 2HD PRO 84 -6.951 5.090 9.146 604 H PHE 85 H PHE 85 -4.580 3.096 4.488 605 HA PHE 85 HA PHE 85 -6.947 2.684 2.831 606 HB2 PHE 85 1HB PHE 85 -4.000 2.546 2.159 607 HB3 PHE 85 2HB PHE 85 -5.306 2.324 0.999 608 HD1 PHE 85 2HD PHE 85 -6.744 4.214 0.375 609 HD2 PHE 85 1HD PHE 85 -3.373 4.711 2.925 610 HE1 PHE 85 2HE PHE 85 -6.808 6.642 -0.020 611 HE2 PHE 85 1HE PHE 85 -3.432 7.140 2.535 612 HZ PHE 85 HZ PHE 85 -5.150 8.108 1.060 613 H GLN 86 H GLN 86 -7.925 0.782 3.040 614 HA GLN 86 HA GLN 86 -6.414 -1.585 3.785 615 HB2 GLN 86 1HB GLN 86 -8.748 -0.881 4.679 616 HB3 GLN 86 2HB GLN 86 -9.352 -1.553 3.170 617 HG2 GLN 86 1HG GLN 86 -7.999 -3.651 3.843 618 HG3 GLN 86 2HG GLN 86 -8.022 -2.940 5.456 619 HE21 GLN 86 1HE2 GLN 86 -9.917 -2.875 6.603 620 HE22 GLN 86 2HE2 GLN 86 -11.349 -3.705 6.107 621 H PHE 87 H PHE 87 -6.047 -3.338 2.508 622 HA PHE 87 HA PHE 87 -7.249 -3.501 -0.131 623 HB2 PHE 87 1HB PHE 87 -5.168 -3.544 -1.341 624 HB3 PHE 87 2HB PHE 87 -5.218 -2.061 -0.394 625 HD1 PHE 87 1HD PHE 87 -3.831 -1.837 1.628 626 HD2 PHE 87 2HD PHE 87 -3.529 -5.216 -0.943 627 HE1 PHE 87 1HE PHE 87 -1.662 -2.408 2.640 628 HE2 PHE 87 2HE PHE 87 -1.360 -5.793 0.066 629 HZ PHE 87 HZ PHE 87 -0.425 -4.389 1.860 630 H THR 88 H THR 88 -7.147 -5.560 -1.051 631 HA THR 88 HA THR 88 -6.288 -7.670 0.813 632 HB THR 88 HB THR 88 -8.291 -7.911 -1.438 633 HG1 THR 88 1HG THR 88 -8.934 -7.897 1.316 634 HG21 THR 88 1HG2 THR 88 -7.187 -9.776 0.600 635 HG22 THR 88 2HG2 THR 88 -7.668 -10.082 -1.070 636 HG23 THR 88 3HG2 THR 88 -8.895 -9.920 0.187 637 H VAL 89 H VAL 89 -4.930 -9.270 0.163 638 HA VAL 89 HA VAL 89 -3.597 -8.877 -2.408 639 HB VAL 89 HB VAL 89 -2.798 -10.727 -0.159 640 HG11 VAL 89 1HG1 VAL 89 -1.789 -11.392 -2.216 641 HG12 VAL 89 2HG1 VAL 89 -1.360 -9.726 -2.610 642 HG13 VAL 89 3HG1 VAL 89 -0.562 -10.551 -1.270 643 HG21 VAL 89 1HG2 VAL 89 -1.483 -9.069 0.770 644 HG22 VAL 89 2HG2 VAL 89 -1.471 -8.105 -0.707 645 HG23 VAL 89 3HG2 VAL 89 -2.922 -8.167 0.293 646 H GLY 90 H GLY 90 -3.500 -10.403 -4.005 647 HA2 GLY 90 1HA GLY 90 -5.281 -12.732 -3.649 648 HA3 GLY 90 2HA GLY 90 -5.010 -11.912 -5.180 649 HA PRO 91 HA PRO 91 -2.340 -15.656 -5.219 650 HB2 PRO 91 1HB PRO 91 -2.756 -16.187 -7.849 651 HB3 PRO 91 2HB PRO 91 -3.849 -16.737 -6.573 652 HG2 PRO 91 1HG PRO 91 -4.102 -14.377 -8.397 653 HG3 PRO 91 2HG PRO 91 -5.341 -15.543 -7.898 654 HD2 PRO 91 1HD PRO 91 -5.122 -13.085 -6.784 655 HD3 PRO 91 2HD PRO 91 -5.688 -14.500 -5.872 656 H LEU 92 H LEU 92 -0.244 -15.791 -5.904 657 HA LEU 92 HA LEU 92 1.188 -13.529 -6.556 658 HB2 LEU 92 1HB LEU 92 3.048 -14.894 -6.818 659 HB3 LEU 92 2HB LEU 92 2.005 -15.809 -5.731 660 HG LEU 92 HG LEU 92 1.230 -16.972 -7.951 661 HD11 LEU 92 1HD1 LEU 92 2.304 -15.841 -9.643 662 HD12 LEU 92 2HD1 LEU 92 3.403 -17.193 -9.371 663 HD13 LEU 92 3HD1 LEU 92 3.776 -15.606 -8.699 664 HD21 LEU 92 1HD2 LEU 92 3.275 -18.522 -7.684 665 HD22 LEU 92 2HD2 LEU 92 2.184 -18.314 -6.313 666 HD23 LEU 92 3HD2 LEU 92 3.721 -17.447 -6.358 667 H GLY 93 H GLY 93 -0.718 -15.511 -8.609 668 HA2 GLY 93 1HA GLY 93 -1.070 -13.995 -10.735 669 HA3 GLY 93 2HA GLY 93 0.579 -14.522 -11.036 670 H GLU 94 H GLU 94 0.574 -16.018 -12.572 671 HA GLU 94 HA GLU 94 -0.738 -18.508 -12.213 672 HB2 GLU 94 1HB GLU 94 -2.627 -17.011 -13.001 673 HB3 GLU 94 2HB GLU 94 -1.773 -16.880 -14.532 674 HG2 GLU 94 1HG GLU 94 -1.850 -19.408 -14.633 675 HG3 GLU 94 2HG GLU 94 -2.990 -19.325 -13.290 676 H GLY 95 H GLY 95 -0.010 -20.090 -13.655 677 HA2 GLY 95 1HA GLY 95 2.339 -19.264 -15.207 678 HA3 GLY 95 2HA GLY 95 1.992 -20.895 -14.652 679 H GLY 96 H GLY 96 2.775 -20.314 -17.274 680 HA2 GLY 96 1HA GLY 96 0.370 -21.214 -18.702 681 HA3 GLY 96 2HA GLY 96 1.268 -19.845 -19.340 682 H SER 97 H SER 97 0.718 -22.658 -20.326 683 HA SER 97 HA SER 97 2.993 -24.236 -20.308 684 HB2 SER 97 1HB SER 97 0.650 -24.675 -21.344 685 HB3 SER 97 2HB SER 97 1.332 -23.945 -22.798 686 HG SER 97 HG SER 97 1.580 -26.426 -22.023 687 H GLY 98 H GLY 98 4.826 -24.390 -21.579 688 HA2 GLY 98 1HA GLY 98 5.522 -21.916 -23.016 689 HA3 GLY 98 2HA GLY 98 6.673 -23.039 -22.308 690 HA PRO 99 HA PRO 99 7.263 -24.849 -26.258 691 HB2 PRO 99 1HB PRO 99 7.995 -27.364 -25.544 692 HB3 PRO 99 2HB PRO 99 9.050 -25.962 -25.336 693 HG2 PRO 99 1HG PRO 99 7.319 -27.344 -23.323 694 HG3 PRO 99 2HG PRO 99 8.978 -26.742 -23.147 695 HD2 PRO 99 1HD PRO 99 6.828 -25.383 -22.218 696 HD3 PRO 99 2HD PRO 99 8.287 -24.568 -22.817 697 H SER 100 H SER 100 6.668 -26.877 -27.537 698 HA SER 100 HA SER 100 3.826 -27.217 -27.382 699 HB2 SER 100 1HB SER 100 5.297 -27.110 -29.503 700 HB3 SER 100 2HB SER 100 5.645 -28.808 -29.178 701 HG SER 100 HG SER 100 3.583 -27.867 -30.449 702 H SER 101 H SER 101 2.940 -28.536 -25.939 703 HA SER 101 HA SER 101 4.320 -30.698 -24.718 704 HB2 SER 101 1HB SER 101 2.530 -29.471 -23.562 705 HB3 SER 101 2HB SER 101 1.358 -30.069 -24.737 706 HG SER 101 HG SER 101 2.951 -31.835 -23.218 707 H GLY 102 H GLY 102 4.963 -32.299 -26.070 708 HA2 GLY 102 1HA GLY 102 4.031 -34.521 -26.746 709 HA3 GLY 102 2HA GLY 102 2.857 -33.606 -27.679 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -24.076 4.375 15.429 2 HA2 GLY 1 1HA GLY 1 -25.990 2.616 14.330 3 HA3 GLY 1 2HA GLY 1 -25.967 4.100 13.390 4 H SER 2 H SER 2 -25.116 1.251 12.837 5 HA SER 2 HA SER 2 -22.594 1.962 11.557 6 HB2 SER 2 1HB SER 2 -22.928 -0.253 13.566 7 HB3 SER 2 2HB SER 2 -21.709 -0.363 12.296 8 HG SER 2 HG SER 2 -20.681 1.389 13.120 9 H SER 3 H SER 3 -22.145 0.786 9.694 10 HA SER 3 HA SER 3 -24.394 -0.836 8.710 11 HB2 SER 3 1HB SER 3 -23.735 -0.196 6.469 12 HB3 SER 3 2HB SER 3 -23.865 1.260 7.455 13 HG SER 3 HG SER 3 -21.440 0.694 7.782 14 H GLY 4 H GLY 4 -24.092 -2.934 8.343 15 HA2 GLY 4 1HA GLY 4 -21.315 -3.936 8.299 16 HA3 GLY 4 2HA GLY 4 -22.691 -4.846 8.905 17 H SER 5 H SER 5 -20.991 -3.754 6.063 18 HA SER 5 HA SER 5 -22.716 -5.447 4.386 19 HB2 SER 5 1HB SER 5 -20.790 -3.263 3.554 20 HB3 SER 5 2HB SER 5 -21.830 -4.187 2.470 21 HG SER 5 HG SER 5 -23.348 -2.823 2.915 22 H SER 6 H SER 6 -21.696 -6.772 2.754 23 HA SER 6 HA SER 6 -18.894 -7.273 2.775 24 HB2 SER 6 1HB SER 6 -18.872 -9.473 3.781 25 HB3 SER 6 2HB SER 6 -19.564 -8.336 4.938 26 HG SER 6 HG SER 6 -20.891 -10.263 3.353 27 H GLY 7 H GLY 7 -18.376 -8.034 0.829 28 HA2 GLY 7 1HA GLY 7 -20.030 -9.983 -0.521 29 HA3 GLY 7 2HA GLY 7 -20.039 -8.395 -1.274 30 H ARG 8 H ARG 8 -18.911 -11.165 -1.974 31 HA ARG 8 HA ARG 8 -16.208 -11.338 -2.000 32 HB2 ARG 8 1HB ARG 8 -18.137 -11.923 -4.246 33 HB3 ARG 8 2HB ARG 8 -16.438 -12.371 -4.300 34 HG2 ARG 8 1HG ARG 8 -16.792 -13.685 -2.211 35 HG3 ARG 8 2HG ARG 8 -18.517 -13.347 -2.359 36 HD2 ARG 8 1HD ARG 8 -18.073 -15.510 -3.301 37 HD3 ARG 8 2HD ARG 8 -18.476 -14.396 -4.607 38 HE ARG 8 HE ARG 8 -15.652 -14.652 -4.109 39 HH11 ARG 8 1HH1 ARG 8 -18.398 -15.932 -5.824 40 HH12 ARG 8 2HH1 ARG 8 -17.444 -16.650 -7.079 41 HH21 ARG 8 1HH2 ARG 8 -14.385 -15.593 -5.756 42 HH22 ARG 8 2HH2 ARG 8 -15.162 -16.458 -7.039 43 H ALA 9 H ALA 9 -14.499 -10.377 -2.973 44 HA ALA 9 HA ALA 9 -14.973 -8.382 -5.057 45 HB1 ALA 9 1HB ALA 9 -13.301 -7.706 -2.650 46 HB2 ALA 9 2HB ALA 9 -13.828 -6.634 -3.948 47 HB3 ALA 9 3HB ALA 9 -15.003 -7.265 -2.794 48 HA PRO 10 HA PRO 10 -11.297 -10.034 -6.806 49 HB2 PRO 10 1HB PRO 10 -10.409 -7.889 -8.213 50 HB3 PRO 10 2HB PRO 10 -11.817 -8.840 -8.699 51 HG2 PRO 10 1HG PRO 10 -11.707 -6.228 -7.240 52 HG3 PRO 10 2HG PRO 10 -12.783 -6.729 -8.558 53 HD2 PRO 10 1HD PRO 10 -13.561 -6.723 -5.964 54 HD3 PRO 10 2HD PRO 10 -14.178 -7.899 -7.144 55 H SER 11 H SER 11 -8.907 -9.405 -7.163 56 HA SER 11 HA SER 11 -7.917 -7.991 -4.773 57 HB2 SER 11 1HB SER 11 -7.677 -10.608 -4.971 58 HB3 SER 11 2HB SER 11 -6.330 -10.197 -6.032 59 HG SER 11 HG SER 11 -5.452 -10.286 -4.038 60 H VAL 12 H VAL 12 -6.650 -6.310 -5.178 61 HA VAL 12 HA VAL 12 -5.647 -5.914 -7.894 62 HB VAL 12 HB VAL 12 -5.274 -3.608 -7.282 63 HG11 VAL 12 1HG1 VAL 12 -7.500 -2.910 -7.062 64 HG12 VAL 12 2HG1 VAL 12 -7.609 -4.500 -7.818 65 HG13 VAL 12 3HG1 VAL 12 -7.939 -4.317 -6.095 66 HG21 VAL 12 1HG2 VAL 12 -4.465 -3.813 -5.046 67 HG22 VAL 12 2HG2 VAL 12 -5.916 -2.812 -4.995 68 HG23 VAL 12 3HG2 VAL 12 -5.993 -4.502 -4.495 69 H ALA 13 H ALA 13 -4.536 -6.430 -4.627 70 HA ALA 13 HA ALA 13 -1.759 -5.935 -5.372 71 HB1 ALA 13 1HB ALA 13 -1.278 -5.779 -3.148 72 HB2 ALA 13 2HB ALA 13 -2.984 -5.331 -3.109 73 HB3 ALA 13 3HB ALA 13 -2.493 -6.971 -2.686 74 H THR 14 H THR 14 -0.329 -7.488 -5.837 75 HA THR 14 HA THR 14 -1.251 -10.262 -5.788 76 HB THR 14 HB THR 14 1.275 -9.191 -7.052 77 HG1 THR 14 1HG THR 14 -0.122 -8.260 -8.362 78 HG21 THR 14 1HG2 THR 14 1.521 -11.241 -8.050 79 HG22 THR 14 2HG2 THR 14 -0.206 -11.592 -8.006 80 HG23 THR 14 3HG2 THR 14 0.761 -11.736 -6.539 81 H VAL 15 H VAL 15 -0.092 -11.932 -4.821 82 HA VAL 15 HA VAL 15 1.358 -11.198 -2.456 83 HB VAL 15 HB VAL 15 -0.186 -13.132 -2.507 84 HG11 VAL 15 1HG1 VAL 15 1.146 -13.783 -4.850 85 HG12 VAL 15 2HG1 VAL 15 1.675 -15.007 -3.694 86 HG13 VAL 15 3HG1 VAL 15 -0.045 -14.773 -4.007 87 HG21 VAL 15 1HG2 VAL 15 1.646 -14.796 -1.560 88 HG22 VAL 15 2HG2 VAL 15 2.653 -13.352 -1.657 89 HG23 VAL 15 3HG2 VAL 15 1.179 -13.335 -0.689 90 H GLY 16 H GLY 16 3.504 -11.216 -2.097 91 HA2 GLY 16 1HA GLY 16 5.746 -11.800 -2.422 92 HA3 GLY 16 2HA GLY 16 5.295 -12.612 -3.914 93 H SER 17 H SER 17 3.933 -10.483 -5.161 94 HA SER 17 HA SER 17 6.168 -9.051 -6.223 95 HB2 SER 17 1HB SER 17 3.202 -8.737 -6.746 96 HB3 SER 17 2HB SER 17 4.484 -7.970 -7.684 97 HG SER 17 HG SER 17 3.899 -10.730 -7.448 98 H ILE 18 H ILE 18 6.563 -6.826 -6.173 99 HA ILE 18 HA ILE 18 6.084 -5.555 -3.696 100 HB ILE 18 HB ILE 18 6.984 -4.214 -6.245 101 HG12 ILE 18 1HG1 ILE 18 8.416 -6.116 -5.908 102 HG13 ILE 18 2HG1 ILE 18 9.295 -4.683 -5.387 103 HG21 ILE 18 1HG2 ILE 18 8.140 -3.353 -3.717 104 HG22 ILE 18 2HG2 ILE 18 7.420 -2.403 -5.016 105 HG23 ILE 18 3HG2 ILE 18 6.391 -3.136 -3.786 106 HD11 ILE 18 1HD1 ILE 18 8.211 -6.934 -3.784 107 HD12 ILE 18 2HD1 ILE 18 9.770 -6.114 -3.680 108 HD13 ILE 18 3HD1 ILE 18 8.321 -5.339 -3.041 109 H CYS 19 H CYS 19 4.517 -4.224 -3.029 110 HA CYS 19 HA CYS 19 2.431 -3.496 -4.963 111 HB2 CYS 19 1HB CYS 19 1.976 -4.842 -2.782 112 HB3 CYS 19 2HB CYS 19 2.123 -3.281 -1.984 113 HG CYS 19 HG CYS 19 -0.524 -3.407 -2.156 114 H ASP 20 H ASP 20 2.626 -1.511 -5.752 115 HA ASP 20 HA ASP 20 3.859 0.583 -4.128 116 HB2 ASP 20 1HB ASP 20 3.583 1.869 -6.383 117 HB3 ASP 20 2HB ASP 20 4.827 0.630 -6.240 118 H LEU 21 H LEU 21 2.839 2.488 -3.584 119 HA LEU 21 HA LEU 21 -0.087 2.481 -3.909 120 HB2 LEU 21 1HB LEU 21 1.116 2.378 -1.590 121 HB3 LEU 21 2HB LEU 21 1.327 4.109 -1.843 122 HG LEU 21 HG LEU 21 -1.169 4.275 -2.092 123 HD11 LEU 21 1HD1 LEU 21 -1.420 1.805 -2.581 124 HD12 LEU 21 2HD1 LEU 21 -2.570 2.497 -1.438 125 HD13 LEU 21 3HD1 LEU 21 -1.212 1.539 -0.849 126 HD21 LEU 21 1HD2 LEU 21 -1.013 3.236 0.587 127 HD22 LEU 21 2HD2 LEU 21 -1.149 4.907 0.037 128 HD23 LEU 21 3HD2 LEU 21 0.440 4.154 0.190 129 H ASN 22 H ASN 22 -1.104 4.209 -4.779 130 HA ASN 22 HA ASN 22 0.593 6.290 -5.932 131 HB2 ASN 22 1HB ASN 22 -2.350 5.997 -6.465 132 HB3 ASN 22 2HB ASN 22 -1.099 6.664 -7.509 133 HD21 ASN 22 1HD2 ASN 22 0.545 5.113 -8.283 134 HD22 ASN 22 2HD2 ASN 22 0.026 3.512 -8.672 135 H LEU 23 H LEU 23 0.954 7.864 -4.470 136 HA LEU 23 HA LEU 23 -1.404 9.231 -3.375 137 HB2 LEU 23 1HB LEU 23 0.978 8.195 -1.922 138 HB3 LEU 23 2HB LEU 23 0.260 9.712 -1.383 139 HG LEU 23 HG LEU 23 -1.442 7.269 -1.700 140 HD11 LEU 23 1HD1 LEU 23 0.465 7.887 0.530 141 HD12 LEU 23 2HD1 LEU 23 0.215 6.366 -0.326 142 HD13 LEU 23 3HD1 LEU 23 -1.007 6.953 0.802 143 HD21 LEU 23 1HD2 LEU 23 -1.608 9.923 -0.402 144 HD22 LEU 23 2HD2 LEU 23 -2.361 8.571 0.444 145 HD23 LEU 23 3HD2 LEU 23 -2.857 8.969 -1.202 146 H LYS 24 H LYS 24 -1.396 11.370 -3.675 147 HA LYS 24 HA LYS 24 1.156 12.699 -4.280 148 HB2 LYS 24 1HB LYS 24 -0.009 14.048 -6.003 149 HB3 LYS 24 2HB LYS 24 0.058 12.337 -6.403 150 HG2 LYS 24 1HG LYS 24 -2.299 12.269 -5.296 151 HG3 LYS 24 2HG LYS 24 -2.280 14.007 -5.607 152 HD2 LYS 24 1HD LYS 24 -2.125 13.702 -7.927 153 HD3 LYS 24 2HD LYS 24 -1.633 12.015 -7.760 154 HE2 LYS 24 1HE LYS 24 -3.866 11.471 -6.888 155 HE3 LYS 24 2HE LYS 24 -4.350 13.152 -7.103 156 HZ1 LYS 24 1HZ LYS 24 -4.193 11.046 -9.032 157 HZ2 LYS 24 2HZ LYS 24 -3.365 12.431 -9.538 158 HZ3 LYS 24 3HZ LYS 24 -5.001 12.529 -9.121 159 H ILE 25 H ILE 25 1.367 13.802 -2.394 160 HA ILE 25 HA ILE 25 -0.768 15.729 -1.760 161 HB ILE 25 HB ILE 25 0.996 14.632 0.395 162 HG12 ILE 25 1HG1 ILE 25 -1.617 13.405 -0.512 163 HG13 ILE 25 2HG1 ILE 25 -0.027 12.683 -0.734 164 HG21 ILE 25 1HG2 ILE 25 -1.274 16.402 0.187 165 HG22 ILE 25 2HG2 ILE 25 -1.588 15.088 1.319 166 HG23 ILE 25 3HG2 ILE 25 -0.182 16.128 1.544 167 HD11 ILE 25 1HD1 ILE 25 -0.613 11.591 1.145 168 HD12 ILE 25 2HD1 ILE 25 0.025 13.046 1.913 169 HD13 ILE 25 3HD1 ILE 25 -1.713 12.862 1.675 170 HA PRO 26 HA PRO 26 2.961 18.215 -2.577 171 HB2 PRO 26 1HB PRO 26 1.570 20.436 -3.285 172 HB3 PRO 26 2HB PRO 26 1.894 19.107 -4.405 173 HG2 PRO 26 1HG PRO 26 -0.585 19.699 -2.835 174 HG3 PRO 26 2HG PRO 26 -0.427 19.180 -4.523 175 HD2 PRO 26 1HD PRO 26 -1.069 17.467 -2.526 176 HD3 PRO 26 2HD PRO 26 -0.128 16.968 -3.947 177 H GLU 27 H GLU 27 0.188 18.736 -0.532 178 HA GLU 27 HA GLU 27 1.292 21.020 0.826 179 HB2 GLU 27 1HB GLU 27 -1.138 19.308 1.173 180 HB3 GLU 27 2HB GLU 27 -0.632 20.360 2.487 181 HG2 GLU 27 1HG GLU 27 -1.020 21.404 -0.293 182 HG3 GLU 27 2HG GLU 27 -2.366 21.243 0.834 183 H ILE 28 H ILE 28 1.727 17.664 1.002 184 HA ILE 28 HA ILE 28 3.069 17.957 3.606 185 HB ILE 28 HB ILE 28 1.583 15.498 2.675 186 HG12 ILE 28 1HG1 ILE 28 0.883 17.382 4.933 187 HG13 ILE 28 2HG1 ILE 28 0.135 17.442 3.341 188 HG21 ILE 28 1HG2 ILE 28 3.446 14.861 4.019 189 HG22 ILE 28 2HG2 ILE 28 3.096 16.119 5.203 190 HG23 ILE 28 3HG2 ILE 28 2.003 14.746 5.026 191 HD11 ILE 28 1HD1 ILE 28 -0.458 15.749 5.588 192 HD12 ILE 28 2HD1 ILE 28 -1.377 16.021 4.107 193 HD13 ILE 28 3HD1 ILE 28 -0.112 14.793 4.147 194 H ASN 29 H ASN 29 4.965 16.748 3.905 195 HA ASN 29 HA ASN 29 6.267 15.975 1.402 196 HB2 ASN 29 1HB ASN 29 7.290 16.751 4.123 197 HB3 ASN 29 2HB ASN 29 8.335 15.942 2.958 198 HD21 ASN 29 1HD2 ASN 29 8.050 18.759 4.168 199 HD22 ASN 29 2HD2 ASN 29 8.218 19.792 2.793 200 H SER 30 H SER 30 8.100 14.210 1.966 201 HA SER 30 HA SER 30 6.579 11.848 2.733 202 HB2 SER 30 1HB SER 30 7.788 11.669 0.658 203 HB3 SER 30 2HB SER 30 9.287 12.187 1.428 204 HG SER 30 HG SER 30 9.051 10.246 2.759 205 H SER 31 H SER 31 8.893 13.965 4.057 206 HA SER 31 HA SER 31 10.144 12.092 5.834 207 HB2 SER 31 1HB SER 31 11.461 13.982 5.312 208 HB3 SER 31 2HB SER 31 10.137 15.100 5.635 209 HG SER 31 HG SER 31 11.304 15.234 7.441 210 H ASP 32 H ASP 32 7.471 14.370 6.023 211 HA ASP 32 HA ASP 32 7.062 13.882 8.848 212 HB2 ASP 32 1HB ASP 32 5.003 15.329 8.451 213 HB3 ASP 32 2HB ASP 32 6.564 16.096 8.168 214 H MET 33 H MET 33 6.241 12.341 5.982 215 HA MET 33 HA MET 33 3.702 11.291 6.925 216 HB2 MET 33 1HB MET 33 5.266 11.115 4.388 217 HB3 MET 33 2HB MET 33 4.080 9.864 4.731 218 HG2 MET 33 1HG MET 33 2.307 11.426 4.773 219 HG3 MET 33 2HG MET 33 3.420 12.791 4.789 220 HE1 MET 33 1HE MET 33 2.868 9.557 3.115 221 HE2 MET 33 2HE MET 33 1.782 10.108 1.840 222 HE3 MET 33 3HE MET 33 3.477 9.785 1.476 223 H SER 34 H SER 34 3.301 9.059 7.271 224 HA SER 34 HA SER 34 5.590 7.281 7.529 225 HB2 SER 34 1HB SER 34 4.991 6.690 9.872 226 HB3 SER 34 2HB SER 34 5.552 8.354 9.709 227 HG SER 34 HG SER 34 2.879 7.445 9.970 228 H ALA 35 H ALA 35 5.019 5.431 6.623 229 HA ALA 35 HA ALA 35 2.198 4.589 6.790 230 HB1 ALA 35 1HB ALA 35 4.049 4.741 4.538 231 HB2 ALA 35 2HB ALA 35 3.222 3.189 4.673 232 HB3 ALA 35 3HB ALA 35 2.287 4.680 4.558 233 H HIS 36 H HIS 36 1.768 2.684 7.713 234 HA HIS 36 HA HIS 36 4.001 0.811 8.149 235 HB2 HIS 36 1HB HIS 36 1.735 1.367 10.075 236 HB3 HIS 36 2HB HIS 36 3.076 0.254 10.333 237 HD1 HIS 36 1HD HIS 36 2.094 3.768 10.713 238 HD2 HIS 36 2HD HIS 36 5.621 1.572 10.694 239 HE1 HIS 36 1HE HIS 36 3.833 5.281 11.717 240 HE2 HIS 36 2HE HIS 36 5.976 3.962 11.617 241 H VAL 37 H VAL 37 3.674 -1.169 7.382 242 HA VAL 37 HA VAL 37 1.098 -1.861 6.261 243 HB VAL 37 HB VAL 37 3.702 -3.393 6.301 244 HG11 VAL 37 1HG1 VAL 37 2.184 -5.085 5.981 245 HG12 VAL 37 2HG1 VAL 37 1.006 -4.029 5.200 246 HG13 VAL 37 3HG1 VAL 37 2.439 -4.557 4.318 247 HG21 VAL 37 1HG2 VAL 37 3.420 -2.774 3.756 248 HG22 VAL 37 2HG2 VAL 37 2.466 -1.446 4.417 249 HG23 VAL 37 3HG2 VAL 37 4.153 -1.642 4.892 250 H THR 38 H THR 38 -0.339 -2.352 7.849 251 HA THR 38 HA THR 38 0.394 -4.067 10.059 252 HB THR 38 HB THR 38 -2.366 -3.084 9.322 253 HG1 THR 38 1HG THR 38 -0.376 -1.898 10.985 254 HG21 THR 38 1HG2 THR 38 -1.266 -3.874 12.016 255 HG22 THR 38 2HG2 THR 38 -2.148 -4.981 10.963 256 HG23 THR 38 3HG2 THR 38 -2.944 -3.538 11.591 257 H SER 39 H SER 39 -0.134 -6.179 10.340 258 HA SER 39 HA SER 39 -1.251 -7.562 8.005 259 HB2 SER 39 1HB SER 39 0.039 -9.398 8.541 260 HB3 SER 39 2HB SER 39 1.055 -8.112 9.191 261 HG SER 39 HG SER 39 0.732 -9.835 10.682 262 HA PRO 40 HA PRO 40 -4.953 -8.686 10.077 263 HB2 PRO 40 1HB PRO 40 -5.430 -11.134 9.006 264 HB3 PRO 40 2HB PRO 40 -5.630 -9.632 8.096 265 HG2 PRO 40 1HG PRO 40 -3.343 -11.563 8.084 266 HG3 PRO 40 2HG PRO 40 -4.121 -10.742 6.718 267 HD2 PRO 40 1HD PRO 40 -1.779 -9.897 7.783 268 HD3 PRO 40 2HD PRO 40 -2.964 -8.781 7.075 269 H SER 41 H SER 41 -2.050 -10.313 10.611 270 HA SER 41 HA SER 41 -3.197 -12.192 12.535 271 HB2 SER 41 1HB SER 41 -0.935 -13.129 12.679 272 HB3 SER 41 2HB SER 41 -1.458 -13.025 10.998 273 HG SER 41 HG SER 41 0.199 -11.801 10.642 274 H GLY 42 H GLY 42 -1.917 -9.072 12.434 275 HA2 GLY 42 1HA GLY 42 -2.095 -7.722 14.437 276 HA3 GLY 42 2HA GLY 42 -1.560 -9.118 15.361 277 H ARG 43 H ARG 43 0.068 -8.554 12.399 278 HA ARG 43 HA ARG 43 2.357 -7.440 13.884 279 HB2 ARG 43 1HB ARG 43 2.631 -9.781 13.016 280 HB3 ARG 43 2HB ARG 43 2.474 -9.136 11.387 281 HG2 ARG 43 1HG ARG 43 4.496 -7.943 11.553 282 HG3 ARG 43 2HG ARG 43 4.571 -8.164 13.302 283 HD2 ARG 43 1HD ARG 43 6.089 -9.736 12.567 284 HD3 ARG 43 2HD ARG 43 4.618 -10.697 12.704 285 HE ARG 43 HE ARG 43 4.664 -9.756 10.117 286 HH11 ARG 43 1HH1 ARG 43 6.711 -11.720 12.134 287 HH12 ARG 43 2HH1 ARG 43 7.336 -12.653 10.815 288 HH21 ARG 43 1HH2 ARG 43 5.479 -10.978 8.372 289 HH22 ARG 43 2HH2 ARG 43 6.636 -12.230 8.676 290 H VAL 44 H VAL 44 2.960 -5.462 13.322 291 HA VAL 44 HA VAL 44 2.338 -4.516 10.600 292 HB VAL 44 HB VAL 44 0.835 -3.383 12.084 293 HG11 VAL 44 1HG1 VAL 44 3.287 -2.900 13.750 294 HG12 VAL 44 2HG1 VAL 44 1.825 -1.928 13.932 295 HG13 VAL 44 3HG1 VAL 44 1.770 -3.668 14.218 296 HG21 VAL 44 1HG2 VAL 44 3.165 -1.696 11.205 297 HG22 VAL 44 2HG2 VAL 44 1.629 -1.952 10.377 298 HG23 VAL 44 3HG2 VAL 44 1.682 -1.006 11.865 299 H THR 45 H THR 45 3.952 -3.561 9.497 300 HA THR 45 HA THR 45 6.470 -3.044 10.940 301 HB THR 45 HB THR 45 7.584 -3.552 8.696 302 HG1 THR 45 1HG THR 45 5.222 -5.041 8.201 303 HG21 THR 45 1HG2 THR 45 8.118 -5.538 9.581 304 HG22 THR 45 2HG2 THR 45 6.457 -6.122 9.469 305 HG23 THR 45 3HG2 THR 45 6.962 -5.158 10.856 306 H GLU 46 H GLU 46 7.967 -1.727 9.251 307 HA GLU 46 HA GLU 46 6.425 0.699 8.677 308 HB2 GLU 46 1HB GLU 46 8.279 1.058 10.171 309 HB3 GLU 46 2HB GLU 46 9.384 0.241 9.074 310 HG2 GLU 46 1HG GLU 46 9.435 2.014 7.593 311 HG3 GLU 46 2HG GLU 46 7.913 2.681 8.180 312 H ALA 47 H ALA 47 6.285 1.570 6.677 313 HA ALA 47 HA ALA 47 7.384 -0.021 4.471 314 HB1 ALA 47 1HB ALA 47 5.714 1.601 3.197 315 HB2 ALA 47 2HB ALA 47 5.164 0.128 3.997 316 HB3 ALA 47 3HB ALA 47 4.982 1.687 4.799 317 H GLU 48 H GLU 48 8.099 1.177 2.522 318 HA GLU 48 HA GLU 48 9.644 3.549 3.316 319 HB2 GLU 48 1HB GLU 48 11.114 1.829 2.605 320 HB3 GLU 48 2HB GLU 48 10.110 1.443 1.214 321 HG2 GLU 48 1HG GLU 48 10.648 3.748 0.342 322 HG3 GLU 48 2HG GLU 48 11.858 3.849 1.620 323 H ILE 49 H ILE 49 9.321 5.458 2.345 324 HA ILE 49 HA ILE 49 7.295 5.574 0.226 325 HB ILE 49 HB ILE 49 8.333 7.736 2.060 326 HG12 ILE 49 1HG1 ILE 49 5.556 6.564 1.894 327 HG13 ILE 49 2HG1 ILE 49 6.784 5.954 2.998 328 HG21 ILE 49 1HG2 ILE 49 6.361 7.837 -0.207 329 HG22 ILE 49 2HG2 ILE 49 6.415 9.055 1.067 330 HG23 ILE 49 3HG2 ILE 49 7.814 8.809 0.022 331 HD11 ILE 49 1HD1 ILE 49 4.984 7.815 3.664 332 HD12 ILE 49 2HD1 ILE 49 6.588 7.710 4.392 333 HD13 ILE 49 3HD1 ILE 49 6.285 8.856 3.086 334 H VAL 50 H VAL 50 8.605 5.080 -1.548 335 HA VAL 50 HA VAL 50 11.061 6.366 -2.115 336 HB VAL 50 HB VAL 50 9.136 5.070 -4.051 337 HG11 VAL 50 1HG1 VAL 50 11.014 6.627 -4.900 338 HG12 VAL 50 2HG1 VAL 50 12.096 5.316 -4.428 339 HG13 VAL 50 3HG1 VAL 50 10.837 5.032 -5.630 340 HG21 VAL 50 1HG2 VAL 50 10.394 3.050 -3.759 341 HG22 VAL 50 2HG2 VAL 50 11.542 3.861 -2.694 342 HG23 VAL 50 3HG2 VAL 50 9.877 3.612 -2.169 343 HA PRO 51 HA PRO 51 9.503 10.322 -3.380 344 HB2 PRO 51 1HB PRO 51 11.846 11.284 -4.357 345 HB3 PRO 51 2HB PRO 51 11.502 11.168 -2.627 346 HG2 PRO 51 1HG PRO 51 13.089 9.324 -4.371 347 HG3 PRO 51 2HG PRO 51 13.454 9.909 -2.737 348 HD2 PRO 51 1HD PRO 51 12.422 7.451 -3.206 349 HD3 PRO 51 2HD PRO 51 12.051 8.378 -1.738 350 H MET 52 H MET 52 8.131 9.730 -5.082 351 HA MET 52 HA MET 52 9.131 8.922 -7.636 352 HB2 MET 52 1HB MET 52 6.418 9.783 -6.652 353 HB3 MET 52 2HB MET 52 6.720 9.406 -8.343 354 HG2 MET 52 1HG MET 52 7.132 7.526 -6.029 355 HG3 MET 52 2HG MET 52 5.757 7.518 -7.130 356 HE1 MET 52 1HE MET 52 6.616 4.895 -9.319 357 HE2 MET 52 2HE MET 52 5.472 5.961 -8.503 358 HE3 MET 52 3HE MET 52 6.231 6.471 -10.012 359 H GLY 53 H GLY 53 9.269 11.822 -6.109 360 HA2 GLY 53 1HA GLY 53 10.309 13.330 -8.099 361 HA3 GLY 53 2HA GLY 53 8.580 13.539 -8.329 362 H LYS 54 H LYS 54 7.584 15.086 -7.205 363 HA LYS 54 HA LYS 54 9.076 16.337 -4.995 364 HB2 LYS 54 1HB LYS 54 7.299 17.454 -7.129 365 HB3 LYS 54 2HB LYS 54 7.421 18.293 -5.588 366 HG2 LYS 54 1HG LYS 54 9.939 17.528 -6.961 367 HG3 LYS 54 2HG LYS 54 9.001 18.870 -7.619 368 HD2 LYS 54 1HD LYS 54 10.329 20.005 -6.141 369 HD3 LYS 54 2HD LYS 54 8.963 19.627 -5.090 370 HE2 LYS 54 1HE LYS 54 11.184 17.660 -5.270 371 HE3 LYS 54 2HE LYS 54 11.465 19.147 -4.365 372 HZ1 LYS 54 1HZ LYS 54 10.241 18.399 -2.689 373 HZ2 LYS 54 2HZ LYS 54 10.227 16.885 -3.441 374 HZ3 LYS 54 3HZ LYS 54 8.956 17.971 -3.702 375 H ASN 55 H ASN 55 5.669 16.340 -6.041 376 HA ASN 55 HA ASN 55 4.893 15.910 -3.244 377 HB2 ASN 55 1HB ASN 55 2.674 16.735 -3.930 378 HB3 ASN 55 2HB ASN 55 3.942 17.898 -4.304 379 HD21 ASN 55 1HD2 ASN 55 1.247 16.428 -5.464 380 HD22 ASN 55 2HD2 ASN 55 1.503 16.648 -7.158 381 H SER 56 H SER 56 5.855 13.734 -4.847 382 HA SER 56 HA SER 56 3.405 12.103 -5.005 383 HB2 SER 56 1HB SER 56 5.914 11.795 -6.673 384 HB3 SER 56 2HB SER 56 4.478 10.776 -6.768 385 HG SER 56 HG SER 56 4.633 13.549 -7.354 386 H HIS 57 H HIS 57 3.327 10.416 -3.677 387 HA HIS 57 HA HIS 57 5.853 9.420 -2.530 388 HB2 HIS 57 1HB HIS 57 3.264 9.235 -1.034 389 HB3 HIS 57 2HB HIS 57 4.910 9.251 -0.410 390 HD1 HIS 57 1HD HIS 57 5.897 11.491 0.214 391 HD2 HIS 57 2HD HIS 57 2.251 11.818 -1.750 392 HE1 HIS 57 1HE HIS 57 5.236 13.908 0.422 393 HE2 HIS 57 2HE HIS 57 2.987 14.064 -0.700 394 H CYS 58 H CYS 58 6.263 7.344 -2.893 395 HA CYS 58 HA CYS 58 4.018 5.591 -3.648 396 HB2 CYS 58 1HB CYS 58 5.704 6.140 -5.460 397 HB3 CYS 58 2HB CYS 58 6.890 5.247 -4.515 398 HG CYS 58 HG CYS 58 4.587 3.123 -4.651 399 H VAL 59 H VAL 59 3.616 3.977 -2.298 400 HA VAL 59 HA VAL 59 5.656 3.247 -0.320 401 HB VAL 59 HB VAL 59 2.696 2.638 -0.344 402 HG11 VAL 59 1HG1 VAL 59 2.960 1.351 1.473 403 HG12 VAL 59 2HG1 VAL 59 4.638 1.221 0.940 404 HG13 VAL 59 3HG1 VAL 59 4.190 2.410 2.165 405 HG21 VAL 59 1HG2 VAL 59 3.511 4.263 1.843 406 HG22 VAL 59 2HG2 VAL 59 4.103 4.999 0.353 407 HG23 VAL 59 3HG2 VAL 59 2.385 4.651 0.542 408 H ARG 60 H ARG 60 6.910 1.633 -1.022 409 HA ARG 60 HA ARG 60 5.670 -0.593 -2.484 410 HB2 ARG 60 1HB ARG 60 8.412 0.577 -2.427 411 HB3 ARG 60 2HB ARG 60 8.252 -1.142 -2.764 412 HG2 ARG 60 1HG ARG 60 6.674 -0.563 -4.604 413 HG3 ARG 60 2HG ARG 60 7.054 1.137 -4.318 414 HD2 ARG 60 1HD ARG 60 9.360 0.774 -4.869 415 HD3 ARG 60 2HD ARG 60 9.111 -0.969 -4.960 416 HE ARG 60 HE ARG 60 7.483 0.545 -6.788 417 HH11 ARG 60 1HH1 ARG 60 10.556 -1.013 -6.288 418 HH12 ARG 60 2HH1 ARG 60 10.870 -1.228 -7.978 419 HH21 ARG 60 1HH2 ARG 60 7.884 0.267 -9.016 420 HH22 ARG 60 2HH2 ARG 60 9.349 -0.499 -9.529 421 H PHE 61 H PHE 61 5.413 -2.502 -1.529 422 HA PHE 61 HA PHE 61 7.213 -3.413 0.538 423 HB2 PHE 61 1HB PHE 61 5.352 -3.827 2.168 424 HB3 PHE 61 2HB PHE 61 5.731 -2.125 1.923 425 HD1 PHE 61 1HD PHE 61 3.486 -4.738 0.487 426 HD2 PHE 61 2HD PHE 61 3.966 -0.684 1.693 427 HE1 PHE 61 1HE PHE 61 1.128 -4.299 -0.062 428 HE2 PHE 61 2HE PHE 61 1.609 -0.239 1.147 429 HZ PHE 61 HZ PHE 61 0.186 -2.047 0.269 430 H VAL 62 H VAL 62 6.750 -5.649 1.198 431 HA VAL 62 HA VAL 62 5.546 -7.137 -1.028 432 HB VAL 62 HB VAL 62 7.434 -8.112 1.121 433 HG11 VAL 62 1HG1 VAL 62 6.285 -10.013 0.477 434 HG12 VAL 62 2HG1 VAL 62 6.079 -9.452 -1.184 435 HG13 VAL 62 3HG1 VAL 62 7.657 -10.016 -0.631 436 HG21 VAL 62 1HG2 VAL 62 7.945 -7.479 -1.785 437 HG22 VAL 62 2HG2 VAL 62 8.500 -6.529 -0.407 438 HG23 VAL 62 3HG2 VAL 62 9.114 -8.163 -0.655 439 HA PRO 63 HA PRO 63 2.234 -7.829 1.972 440 HB2 PRO 63 1HB PRO 63 0.456 -8.714 0.121 441 HB3 PRO 63 2HB PRO 63 0.775 -6.999 0.403 442 HG2 PRO 63 1HG PRO 63 1.846 -8.798 -1.736 443 HG3 PRO 63 2HG PRO 63 1.253 -7.132 -1.869 444 HD2 PRO 63 1HD PRO 63 3.891 -7.736 -1.776 445 HD3 PRO 63 2HD PRO 63 3.231 -6.233 -1.099 446 H GLN 64 H GLN 64 0.801 -9.780 2.348 447 HA GLN 64 HA GLN 64 2.408 -12.205 1.964 448 HB2 GLN 64 1HB GLN 64 0.340 -11.431 4.013 449 HB3 GLN 64 2HB GLN 64 0.887 -13.092 3.821 450 HG2 GLN 64 1HG GLN 64 2.573 -10.713 4.561 451 HG3 GLN 64 2HG GLN 64 2.092 -12.043 5.613 452 HE21 GLN 64 1HE2 GLN 64 4.064 -11.129 2.874 453 HE22 GLN 64 2HE2 GLN 64 5.155 -12.465 2.967 454 H GLU 65 H GLU 65 1.020 -14.274 1.930 455 HA GLU 65 HA GLU 65 -0.768 -14.040 -0.329 456 HB2 GLU 65 1HB GLU 65 -0.497 -16.312 -0.623 457 HB3 GLU 65 2HB GLU 65 1.015 -15.891 0.168 458 HG2 GLU 65 1HG GLU 65 -1.411 -17.060 1.511 459 HG3 GLU 65 2HG GLU 65 0.061 -17.932 1.086 460 H MET 66 H MET 66 -2.938 -14.578 -0.381 461 HA MET 66 HA MET 66 -5.057 -14.313 0.490 462 HB2 MET 66 1HB MET 66 -3.984 -16.697 2.005 463 HB3 MET 66 2HB MET 66 -5.687 -16.275 1.894 464 HG2 MET 66 1HG MET 66 -5.457 -17.891 0.269 465 HG3 MET 66 2HG MET 66 -5.322 -16.395 -0.652 466 HE1 MET 66 1HE MET 66 -3.881 -15.767 -1.977 467 HE2 MET 66 2HE MET 66 -2.130 -15.869 -1.798 468 HE3 MET 66 3HE MET 66 -2.978 -17.013 -2.840 469 H GLY 67 H GLY 67 -3.600 -12.390 1.673 470 HA2 GLY 67 1HA GLY 67 -4.671 -12.405 4.412 471 HA3 GLY 67 2HA GLY 67 -2.987 -11.976 4.151 472 H VAL 68 H VAL 68 -5.422 -10.475 5.157 473 HA VAL 68 HA VAL 68 -5.460 -8.278 3.207 474 HB VAL 68 HB VAL 68 -7.261 -8.732 5.590 475 HG11 VAL 68 1HG1 VAL 68 -6.847 -6.471 3.799 476 HG12 VAL 68 2HG1 VAL 68 -8.528 -7.004 3.870 477 HG13 VAL 68 3HG1 VAL 68 -7.682 -6.550 5.350 478 HG21 VAL 68 1HG2 VAL 68 -8.095 -10.321 4.215 479 HG22 VAL 68 2HG2 VAL 68 -8.877 -8.938 3.449 480 HG23 VAL 68 3HG2 VAL 68 -7.389 -9.597 2.771 481 H HIS 69 H HIS 69 -4.043 -6.710 3.562 482 HA HIS 69 HA HIS 69 -3.222 -6.127 6.322 483 HB2 HIS 69 1HB HIS 69 -1.857 -5.194 3.796 484 HB3 HIS 69 2HB HIS 69 -1.210 -5.189 5.435 485 HD1 HIS 69 1HD HIS 69 -2.688 -7.954 3.262 486 HD2 HIS 69 2HD HIS 69 0.660 -7.121 5.577 487 HE1 HIS 69 1HE HIS 69 -1.273 -10.031 3.170 488 HE2 HIS 69 2HE HIS 69 0.706 -9.534 4.646 489 H THR 70 H THR 70 -2.672 -3.775 6.722 490 HA THR 70 HA THR 70 -4.536 -1.979 5.326 491 HB THR 70 HB THR 70 -4.147 -1.858 8.312 492 HG1 THR 70 1HG THR 70 -6.348 -2.851 8.264 493 HG21 THR 70 1HG2 THR 70 -5.038 0.168 7.663 494 HG22 THR 70 2HG2 THR 70 -6.506 -0.766 7.952 495 HG23 THR 70 3HG2 THR 70 -5.918 -0.534 6.306 496 H VAL 71 H VAL 71 -3.580 -0.183 4.638 497 HA VAL 71 HA VAL 71 -0.884 0.434 5.530 498 HB VAL 71 HB VAL 71 -2.536 1.813 3.410 499 HG11 VAL 71 1HG1 VAL 71 0.194 2.027 2.857 500 HG12 VAL 71 2HG1 VAL 71 -0.888 3.306 3.413 501 HG13 VAL 71 3HG1 VAL 71 0.038 2.362 4.581 502 HG21 VAL 71 1HG2 VAL 71 -0.826 0.461 1.945 503 HG22 VAL 71 2HG2 VAL 71 -0.803 -0.613 3.344 504 HG23 VAL 71 3HG2 VAL 71 -2.321 -0.288 2.506 505 H SER 72 H SER 72 -0.815 1.507 7.416 506 HA SER 72 HA SER 72 -2.782 3.551 8.034 507 HB2 SER 72 1HB SER 72 -1.121 3.700 10.122 508 HB3 SER 72 2HB SER 72 -2.345 2.437 9.991 509 HG SER 72 HG SER 72 0.238 2.060 8.929 510 H VAL 73 H VAL 73 -2.500 5.462 7.080 511 HA VAL 73 HA VAL 73 0.221 6.599 7.019 512 HB VAL 73 HB VAL 73 -2.029 7.364 5.162 513 HG11 VAL 73 1HG1 VAL 73 0.149 8.035 3.832 514 HG12 VAL 73 2HG1 VAL 73 -0.551 9.106 5.048 515 HG13 VAL 73 3HG1 VAL 73 0.839 8.098 5.454 516 HG21 VAL 73 1HG2 VAL 73 0.250 5.740 4.184 517 HG22 VAL 73 2HG2 VAL 73 -1.002 4.907 5.106 518 HG23 VAL 73 3HG2 VAL 73 -1.426 5.786 3.637 519 H LYS 74 H LYS 74 0.232 7.782 8.872 520 HA LYS 74 HA LYS 74 -1.931 9.745 9.241 521 HB2 LYS 74 1HB LYS 74 -0.221 8.213 11.133 522 HB3 LYS 74 2HB LYS 74 -0.682 9.844 11.602 523 HG2 LYS 74 1HG LYS 74 -3.082 9.010 10.943 524 HG3 LYS 74 2HG LYS 74 -2.370 7.423 11.239 525 HD2 LYS 74 1HD LYS 74 -1.899 7.935 13.485 526 HD3 LYS 74 2HD LYS 74 -2.134 9.665 13.226 527 HE2 LYS 74 1HE LYS 74 -4.528 9.241 12.798 528 HE3 LYS 74 2HE LYS 74 -4.267 7.533 13.146 529 HZ1 LYS 74 1HZ LYS 74 -4.711 8.047 15.246 530 HZ2 LYS 74 2HZ LYS 74 -4.626 9.711 14.953 531 HZ3 LYS 74 3HZ LYS 74 -3.218 8.842 15.304 532 H TYR 75 H TYR 75 -1.426 11.902 9.681 533 HA TYR 75 HA TYR 75 1.383 12.686 9.314 534 HB2 TYR 75 1HB TYR 75 0.513 13.105 7.171 535 HB3 TYR 75 2HB TYR 75 -1.024 13.680 7.808 536 HD1 TYR 75 1HD TYR 75 2.591 14.545 7.623 537 HD2 TYR 75 2HD TYR 75 -1.388 15.968 8.115 538 HE1 TYR 75 1HE TYR 75 3.409 16.860 7.482 539 HE2 TYR 75 2HE TYR 75 -0.582 18.288 7.975 540 HH TYR 75 HH TYR 75 1.173 19.614 7.714 541 H ARG 76 H ARG 76 2.037 13.862 10.976 542 HA ARG 76 HA ARG 76 2.060 15.256 12.773 543 HB2 ARG 76 1HB ARG 76 0.052 16.490 10.952 544 HB3 ARG 76 2HB ARG 76 0.136 17.094 12.601 545 HG2 ARG 76 1HG ARG 76 2.698 17.245 12.098 546 HG3 ARG 76 2HG ARG 76 2.155 17.250 10.419 547 HD2 ARG 76 1HD ARG 76 1.005 19.109 12.481 548 HD3 ARG 76 2HD ARG 76 2.455 19.511 11.562 549 HE ARG 76 HE ARG 76 0.230 18.727 9.921 550 HH11 ARG 76 1HH1 ARG 76 1.771 21.372 11.580 551 HH12 ARG 76 2HH1 ARG 76 1.076 22.588 10.560 552 HH21 ARG 76 1HH2 ARG 76 -0.691 20.318 8.571 553 HH22 ARG 76 2HH2 ARG 76 -0.325 21.987 8.849 554 H GLY 77 H GLY 77 0.468 12.803 12.864 555 HA2 GLY 77 1HA GLY 77 -0.753 11.769 14.532 556 HA3 GLY 77 2HA GLY 77 -0.893 13.324 15.338 557 H GLN 78 H GLN 78 -1.891 12.621 12.032 558 HA GLN 78 HA GLN 78 -4.677 12.412 12.757 559 HB2 GLN 78 1HB GLN 78 -3.629 14.831 11.283 560 HB3 GLN 78 2HB GLN 78 -5.327 14.373 11.328 561 HG2 GLN 78 1HG GLN 78 -5.237 14.547 13.809 562 HG3 GLN 78 2HG GLN 78 -3.600 15.183 13.652 563 HE21 GLN 78 1HE2 GLN 78 -6.052 16.406 14.720 564 HE22 GLN 78 2HE2 GLN 78 -6.270 17.868 13.826 565 H HIS 79 H HIS 79 -5.466 10.901 11.464 566 HA HIS 79 HA HIS 79 -4.152 9.880 9.219 567 HB2 HIS 79 1HB HIS 79 -6.882 9.575 10.380 568 HB3 HIS 79 2HB HIS 79 -6.607 8.983 8.744 569 HD1 HIS 79 1HD HIS 79 -4.072 7.539 8.797 570 HD2 HIS 79 2HD HIS 79 -6.617 7.509 12.082 571 HE1 HIS 79 1HE HIS 79 -3.443 5.492 10.116 572 HE2 HIS 79 2HE HIS 79 -5.053 5.449 12.053 573 H VAL 80 H VAL 80 -4.360 10.190 7.040 574 HA VAL 80 HA VAL 80 -5.479 12.729 6.212 575 HB VAL 80 HB VAL 80 -4.469 12.255 4.033 576 HG11 VAL 80 1HG1 VAL 80 -2.759 11.867 6.472 577 HG12 VAL 80 2HG1 VAL 80 -2.068 11.998 4.853 578 HG13 VAL 80 3HG1 VAL 80 -3.008 13.332 5.523 579 HG21 VAL 80 1HG2 VAL 80 -4.887 9.752 4.228 580 HG22 VAL 80 2HG2 VAL 80 -3.356 10.248 3.506 581 HG23 VAL 80 3HG2 VAL 80 -3.403 9.688 5.178 582 H THR 81 H THR 81 -6.413 12.502 3.776 583 HA THR 81 HA THR 81 -8.989 11.369 4.103 584 HB THR 81 HB THR 81 -7.724 12.282 1.514 585 HG1 THR 81 1HG THR 81 -8.759 13.683 3.706 586 HG21 THR 81 1HG2 THR 81 -10.631 12.339 2.291 587 HG22 THR 81 2HG2 THR 81 -9.900 10.958 1.473 588 HG23 THR 81 3HG2 THR 81 -9.921 12.538 0.689 589 H GLY 82 H GLY 82 -9.694 9.372 3.716 590 HA2 GLY 82 1HA GLY 82 -9.910 7.391 2.450 591 HA3 GLY 82 2HA GLY 82 -8.358 7.729 1.698 592 H SER 83 H SER 83 -6.781 8.117 3.955 593 HA SER 83 HA SER 83 -6.195 5.434 4.655 594 HB2 SER 83 1HB SER 83 -4.329 6.854 4.616 595 HB3 SER 83 2HB SER 83 -5.145 8.107 5.551 596 HG SER 83 HG SER 83 -5.063 6.668 7.353 597 HA PRO 84 HA PRO 84 -5.076 4.375 6.346 598 HB2 PRO 84 1HB PRO 84 -5.939 1.969 7.259 599 HB3 PRO 84 2HB PRO 84 -5.170 3.172 8.301 600 HG2 PRO 84 1HG PRO 84 -8.079 2.561 7.939 601 HG3 PRO 84 2HG PRO 84 -7.180 2.879 9.434 602 HD2 PRO 84 1HD PRO 84 -8.701 4.762 8.220 603 HD3 PRO 84 2HD PRO 84 -7.227 5.163 9.126 604 H PHE 85 H PHE 85 -4.727 2.934 4.650 605 HA PHE 85 HA PHE 85 -7.063 2.482 2.936 606 HB2 PHE 85 1HB PHE 85 -4.105 2.492 2.306 607 HB3 PHE 85 2HB PHE 85 -5.367 2.122 1.135 608 HD1 PHE 85 2HD PHE 85 -6.970 3.881 0.454 609 HD2 PHE 85 1HD PHE 85 -3.604 4.721 2.920 610 HE1 PHE 85 2HE PHE 85 -7.199 6.277 -0.056 611 HE2 PHE 85 1HE PHE 85 -3.828 7.119 2.415 612 HZ PHE 85 HZ PHE 85 -5.626 7.899 0.924 613 H GLN 86 H GLN 86 -7.959 0.544 3.156 614 HA GLN 86 HA GLN 86 -6.308 -1.748 3.896 615 HB2 GLN 86 1HB GLN 86 -8.648 -1.061 4.900 616 HB3 GLN 86 2HB GLN 86 -9.264 -1.932 3.502 617 HG2 GLN 86 1HG GLN 86 -7.668 -3.817 4.311 618 HG3 GLN 86 2HG GLN 86 -7.736 -2.956 5.848 619 HE21 GLN 86 1HE2 GLN 86 -9.166 -3.775 7.180 620 HE22 GLN 86 2HE2 GLN 86 -10.684 -4.478 6.750 621 H PHE 87 H PHE 87 -5.959 -3.493 2.610 622 HA PHE 87 HA PHE 87 -7.357 -3.721 0.067 623 HB2 PHE 87 1HB PHE 87 -5.339 -3.790 -1.263 624 HB3 PHE 87 2HB PHE 87 -5.377 -2.273 -0.369 625 HD1 PHE 87 2HD PHE 87 -4.025 -5.735 -0.127 626 HD2 PHE 87 1HD PHE 87 -3.507 -1.614 0.803 627 HE1 PHE 87 2HE PHE 87 -1.794 -6.225 0.787 628 HE2 PHE 87 1HE PHE 87 -1.275 -2.097 1.717 629 HZ PHE 87 HZ PHE 87 -0.416 -4.405 1.711 630 H THR 88 H THR 88 -7.375 -5.792 -0.779 631 HA THR 88 HA THR 88 -6.393 -7.871 1.048 632 HB THR 88 HB THR 88 -8.476 -8.119 -1.131 633 HG1 THR 88 1HG THR 88 -9.403 -6.903 0.452 634 HG21 THR 88 1HG2 THR 88 -7.037 -10.062 0.399 635 HG22 THR 88 2HG2 THR 88 -8.285 -10.316 -0.822 636 HG23 THR 88 3HG2 THR 88 -8.736 -10.098 0.869 637 H VAL 89 H VAL 89 -5.055 -9.483 0.376 638 HA VAL 89 HA VAL 89 -3.850 -9.143 -2.275 639 HB VAL 89 HB VAL 89 -2.809 -10.860 -0.026 640 HG11 VAL 89 1HG1 VAL 89 -0.637 -10.400 -1.260 641 HG12 VAL 89 2HG1 VAL 89 -1.791 -11.467 -2.063 642 HG13 VAL 89 3HG1 VAL 89 -1.636 -9.787 -2.577 643 HG21 VAL 89 1HG2 VAL 89 -3.102 -8.146 0.146 644 HG22 VAL 89 2HG2 VAL 89 -1.905 -9.098 1.023 645 HG23 VAL 89 3HG2 VAL 89 -1.465 -8.306 -0.490 646 H GLY 90 H GLY 90 -3.606 -10.851 -3.717 647 HA2 GLY 90 1HA GLY 90 -5.254 -13.230 -3.112 648 HA3 GLY 90 2HA GLY 90 -5.204 -12.475 -4.699 649 HA PRO 91 HA PRO 91 -2.250 -16.004 -4.815 650 HB2 PRO 91 1HB PRO 91 -2.908 -16.752 -7.341 651 HB3 PRO 91 2HB PRO 91 -3.799 -17.296 -5.915 652 HG2 PRO 91 1HG PRO 91 -4.460 -15.099 -7.838 653 HG3 PRO 91 2HG PRO 91 -5.529 -16.323 -7.127 654 HD2 PRO 91 1HD PRO 91 -5.403 -13.782 -6.199 655 HD3 PRO 91 2HD PRO 91 -5.738 -15.169 -5.143 656 H LEU 92 H LEU 92 -0.264 -16.098 -5.829 657 HA LEU 92 HA LEU 92 0.809 -13.709 -6.850 658 HB2 LEU 92 1HB LEU 92 2.759 -15.185 -7.489 659 HB3 LEU 92 2HB LEU 92 2.299 -15.175 -5.788 660 HG LEU 92 HG LEU 92 1.201 -17.325 -7.529 661 HD11 LEU 92 1HD1 LEU 92 4.065 -16.961 -6.837 662 HD12 LEU 92 2HD1 LEU 92 3.327 -17.709 -8.253 663 HD13 LEU 92 3HD1 LEU 92 3.379 -18.582 -6.722 664 HD21 LEU 92 1HD2 LEU 92 0.613 -18.166 -5.562 665 HD22 LEU 92 2HD2 LEU 92 1.229 -16.703 -4.794 666 HD23 LEU 92 3HD2 LEU 92 2.280 -18.106 -4.988 667 H GLY 93 H GLY 93 -0.451 -16.593 -8.428 668 HA2 GLY 93 1HA GLY 93 0.126 -15.378 -11.050 669 HA3 GLY 93 2HA GLY 93 -0.190 -17.084 -10.774 670 H GLU 94 H GLU 94 -1.459 -14.538 -12.226 671 HA GLU 94 HA GLU 94 -4.200 -14.800 -11.302 672 HB2 GLU 94 1HB GLU 94 -2.760 -13.008 -13.208 673 HB3 GLU 94 2HB GLU 94 -4.499 -13.196 -13.381 674 HG2 GLU 94 1HG GLU 94 -4.774 -12.505 -11.029 675 HG3 GLU 94 2HG GLU 94 -3.035 -12.233 -10.934 676 H GLY 95 H GLY 95 -5.955 -15.191 -12.875 677 HA2 GLY 95 1HA GLY 95 -6.992 -16.698 -14.272 678 HA3 GLY 95 2HA GLY 95 -5.727 -16.237 -15.401 679 H GLY 96 H GLY 96 -6.345 -18.401 -12.645 680 HA2 GLY 96 1HA GLY 96 -5.360 -20.425 -12.100 681 HA3 GLY 96 2HA GLY 96 -5.780 -20.792 -13.767 682 H SER 97 H SER 97 -4.003 -22.139 -14.067 683 HA SER 97 HA SER 97 -1.461 -20.705 -14.396 684 HB2 SER 97 1HB SER 97 -1.704 -23.481 -13.213 685 HB3 SER 97 2HB SER 97 -0.211 -22.581 -13.477 686 HG SER 97 HG SER 97 -2.329 -21.747 -11.780 687 H GLY 98 H GLY 98 -1.404 -20.649 -16.579 688 HA2 GLY 98 1HA GLY 98 -1.838 -23.184 -18.025 689 HA3 GLY 98 2HA GLY 98 -2.023 -21.584 -18.728 690 HA PRO 99 HA PRO 99 2.444 -23.405 -19.014 691 HB2 PRO 99 1HB PRO 99 2.274 -25.008 -21.199 692 HB3 PRO 99 2HB PRO 99 2.049 -25.604 -19.550 693 HG2 PRO 99 1HG PRO 99 -0.009 -24.872 -21.597 694 HG3 PRO 99 2HG PRO 99 0.031 -26.263 -20.499 695 HD2 PRO 99 1HD PRO 99 -1.475 -24.066 -20.013 696 HD3 PRO 99 2HD PRO 99 -0.753 -25.035 -18.713 697 H SER 100 H SER 100 0.063 -22.106 -21.135 698 HA SER 100 HA SER 100 0.148 -20.732 -22.954 699 HB2 SER 100 1HB SER 100 1.457 -19.489 -21.038 700 HB3 SER 100 2HB SER 100 2.850 -19.776 -22.080 701 HG SER 100 HG SER 100 0.446 -18.510 -22.903 702 H SER 101 H SER 101 1.436 -23.407 -23.138 703 HA SER 101 HA SER 101 3.769 -23.268 -24.710 704 HB2 SER 101 1HB SER 101 1.673 -25.361 -24.244 705 HB3 SER 101 2HB SER 101 2.880 -25.604 -25.507 706 HG SER 101 HG SER 101 4.486 -25.260 -23.872 707 H GLY 102 H GLY 102 0.411 -22.838 -25.464 708 HA2 GLY 102 1HA GLY 102 0.357 -23.391 -28.188 709 HA3 GLY 102 2HA GLY 102 -0.644 -22.183 -27.395 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -29.916 -12.070 -12.163 2 HA2 GLY 1 1HA GLY 1 -28.794 -10.904 -9.723 3 HA3 GLY 1 2HA GLY 1 -27.950 -12.272 -10.433 4 H SER 2 H SER 2 -26.172 -11.540 -11.387 5 HA SER 2 HA SER 2 -26.407 -9.580 -13.503 6 HB2 SER 2 1HB SER 2 -24.505 -8.208 -12.568 7 HB3 SER 2 2HB SER 2 -26.023 -8.066 -11.682 8 HG SER 2 HG SER 2 -23.937 -9.844 -10.957 9 H SER 3 H SER 3 -25.330 -10.410 -15.153 10 HA SER 3 HA SER 3 -23.875 -12.633 -15.350 11 HB2 SER 3 1HB SER 3 -23.093 -10.081 -16.778 12 HB3 SER 3 2HB SER 3 -22.760 -11.727 -17.315 13 HG SER 3 HG SER 3 -24.621 -11.625 -18.265 14 H GLY 4 H GLY 4 -22.259 -9.480 -14.882 15 HA2 GLY 4 1HA GLY 4 -20.513 -9.027 -13.376 16 HA3 GLY 4 2HA GLY 4 -20.338 -10.753 -13.094 17 H SER 5 H SER 5 -18.235 -11.108 -13.513 18 HA SER 5 HA SER 5 -17.129 -10.080 -16.034 19 HB2 SER 5 1HB SER 5 -15.950 -9.546 -13.867 20 HB3 SER 5 2HB SER 5 -15.597 -11.266 -13.712 21 HG SER 5 HG SER 5 -14.933 -9.961 -16.099 22 H SER 6 H SER 6 -15.972 -11.455 -17.430 23 HA SER 6 HA SER 6 -17.051 -13.798 -18.180 24 HB2 SER 6 1HB SER 6 -15.012 -14.331 -19.347 25 HB3 SER 6 2HB SER 6 -15.198 -12.578 -19.360 26 HG SER 6 HG SER 6 -13.144 -13.962 -18.479 27 H GLY 7 H GLY 7 -14.261 -13.580 -15.966 28 HA2 GLY 7 1HA GLY 7 -15.124 -15.503 -14.160 29 HA3 GLY 7 2HA GLY 7 -14.209 -16.360 -15.392 30 H ARG 8 H ARG 8 -13.607 -13.110 -14.135 31 HA ARG 8 HA ARG 8 -11.164 -14.108 -12.843 32 HB2 ARG 8 1HB ARG 8 -11.414 -11.933 -14.895 33 HB3 ARG 8 2HB ARG 8 -10.136 -11.866 -13.689 34 HG2 ARG 8 1HG ARG 8 -9.465 -14.176 -14.440 35 HG3 ARG 8 2HG ARG 8 -10.585 -13.966 -15.789 36 HD2 ARG 8 1HD ARG 8 -8.592 -11.822 -15.273 37 HD3 ARG 8 2HD ARG 8 -8.020 -13.331 -15.981 38 HE ARG 8 HE ARG 8 -9.417 -11.289 -17.321 39 HH11 ARG 8 1HH1 ARG 8 -9.292 -14.759 -17.070 40 HH12 ARG 8 2HH1 ARG 8 -9.865 -15.026 -18.683 41 HH21 ARG 8 1HH2 ARG 8 -10.172 -11.628 -19.446 42 HH22 ARG 8 2HH2 ARG 8 -10.364 -13.245 -20.034 43 H ALA 9 H ALA 9 -10.315 -12.717 -11.183 44 HA ALA 9 HA ALA 9 -12.395 -11.003 -9.993 45 HB1 ALA 9 1HB ALA 9 -10.136 -12.322 -8.507 46 HB2 ALA 9 2HB ALA 9 -11.595 -11.584 -7.843 47 HB3 ALA 9 3HB ALA 9 -11.705 -13.090 -8.754 48 HA PRO 10 HA PRO 10 -9.746 -7.516 -10.437 49 HB2 PRO 10 1HB PRO 10 -10.757 -5.948 -8.465 50 HB3 PRO 10 2HB PRO 10 -11.602 -6.238 -9.990 51 HG2 PRO 10 1HG PRO 10 -12.013 -7.532 -7.322 52 HG3 PRO 10 2HG PRO 10 -13.222 -6.960 -8.486 53 HD2 PRO 10 1HD PRO 10 -12.542 -9.571 -8.257 54 HD3 PRO 10 2HD PRO 10 -13.032 -8.844 -9.801 55 H SER 11 H SER 11 -7.712 -8.251 -9.838 56 HA SER 11 HA SER 11 -7.064 -8.266 -6.977 57 HB2 SER 11 1HB SER 11 -5.608 -9.378 -9.381 58 HB3 SER 11 2HB SER 11 -4.914 -9.343 -7.761 59 HG SER 11 HG SER 11 -7.222 -10.730 -8.640 60 H VAL 12 H VAL 12 -6.518 -6.295 -6.285 61 HA VAL 12 HA VAL 12 -5.238 -4.357 -7.970 62 HB VAL 12 HB VAL 12 -5.156 -2.950 -5.947 63 HG11 VAL 12 1HG1 VAL 12 -7.615 -2.832 -5.571 64 HG12 VAL 12 2HG1 VAL 12 -7.153 -2.868 -7.274 65 HG13 VAL 12 3HG1 VAL 12 -7.782 -4.322 -6.499 66 HG21 VAL 12 1HG2 VAL 12 -4.727 -4.622 -4.267 67 HG22 VAL 12 2HG2 VAL 12 -6.228 -3.785 -3.873 68 HG23 VAL 12 3HG2 VAL 12 -6.279 -5.397 -4.587 69 H ALA 13 H ALA 13 -4.242 -6.305 -5.172 70 HA ALA 13 HA ALA 13 -1.440 -5.674 -5.840 71 HB1 ALA 13 1HB ALA 13 -2.227 -4.793 -3.645 72 HB2 ALA 13 2HB ALA 13 -2.485 -6.459 -3.125 73 HB3 ALA 13 3HB ALA 13 -0.861 -5.903 -3.530 74 H THR 14 H THR 14 0.120 -7.372 -5.486 75 HA THR 14 HA THR 14 -1.061 -10.062 -5.735 76 HB THR 14 HB THR 14 1.550 -9.103 -6.923 77 HG1 THR 14 1HG THR 14 0.262 -8.353 -8.425 78 HG21 THR 14 1HG2 THR 14 1.407 -11.257 -8.179 79 HG22 THR 14 2HG2 THR 14 0.048 -11.712 -7.151 80 HG23 THR 14 3HG2 THR 14 1.643 -11.457 -6.443 81 H VAL 15 H VAL 15 0.106 -11.824 -4.819 82 HA VAL 15 HA VAL 15 1.403 -11.130 -2.334 83 HB VAL 15 HB VAL 15 -0.174 -12.968 -2.324 84 HG11 VAL 15 1HG1 VAL 15 1.309 -13.769 -4.691 85 HG12 VAL 15 2HG1 VAL 15 1.064 -15.102 -3.560 86 HG13 VAL 15 3HG1 VAL 15 -0.322 -14.201 -4.178 87 HG21 VAL 15 1HG2 VAL 15 1.436 -13.235 -0.654 88 HG22 VAL 15 2HG2 VAL 15 1.404 -14.803 -1.462 89 HG23 VAL 15 3HG2 VAL 15 2.700 -13.658 -1.809 90 H GLY 16 H GLY 16 3.523 -11.267 -1.850 91 HA2 GLY 16 1HA GLY 16 5.759 -11.882 -2.057 92 HA3 GLY 16 2HA GLY 16 5.351 -12.771 -3.518 93 H SER 17 H SER 17 4.100 -10.648 -4.924 94 HA SER 17 HA SER 17 6.417 -9.392 -6.015 95 HB2 SER 17 1HB SER 17 3.502 -9.417 -6.626 96 HB3 SER 17 2HB SER 17 4.450 -8.067 -7.250 97 HG SER 17 HG SER 17 5.920 -10.004 -7.885 98 H ILE 18 H ILE 18 6.999 -7.225 -6.008 99 HA ILE 18 HA ILE 18 6.596 -5.811 -3.615 100 HB ILE 18 HB ILE 18 7.540 -4.649 -6.236 101 HG12 ILE 18 1HG1 ILE 18 8.781 -6.711 -5.580 102 HG13 ILE 18 2HG1 ILE 18 9.784 -5.265 -5.584 103 HG21 ILE 18 1HG2 ILE 18 8.417 -2.884 -5.041 104 HG22 ILE 18 2HG2 ILE 18 6.924 -3.200 -4.160 105 HG23 ILE 18 3HG2 ILE 18 8.462 -3.790 -3.530 106 HD11 ILE 18 1HD1 ILE 18 9.640 -7.097 -3.570 107 HD12 ILE 18 2HD1 ILE 18 10.232 -5.443 -3.410 108 HD13 ILE 18 3HD1 ILE 18 8.561 -5.825 -2.999 109 H CYS 19 H CYS 19 4.836 -4.781 -2.966 110 HA CYS 19 HA CYS 19 2.866 -3.881 -4.910 111 HB2 CYS 19 1HB CYS 19 2.342 -5.151 -2.729 112 HB3 CYS 19 2HB CYS 19 2.632 -3.616 -1.921 113 HG CYS 19 HG CYS 19 -0.166 -4.255 -2.348 114 H ASP 20 H ASP 20 2.521 -1.821 -5.468 115 HA ASP 20 HA ASP 20 3.988 0.264 -3.988 116 HB2 ASP 20 1HB ASP 20 3.297 0.215 -6.934 117 HB3 ASP 20 2HB ASP 20 4.165 1.501 -6.100 118 H LEU 21 H LEU 21 2.879 1.987 -3.264 119 HA LEU 21 HA LEU 21 -0.005 2.041 -3.795 120 HB2 LEU 21 1HB LEU 21 1.114 1.962 -1.436 121 HB3 LEU 21 2HB LEU 21 1.331 3.692 -1.695 122 HG LEU 21 HG LEU 21 -1.085 3.973 -1.900 123 HD11 LEU 21 1HD1 LEU 21 -2.066 2.103 -2.736 124 HD12 LEU 21 2HD1 LEU 21 -2.366 1.821 -1.021 125 HD13 LEU 21 3HD1 LEU 21 -1.023 1.010 -1.826 126 HD21 LEU 21 1HD2 LEU 21 -0.849 2.382 0.587 127 HD22 LEU 21 2HD2 LEU 21 -1.449 4.022 0.340 128 HD23 LEU 21 3HD2 LEU 21 0.288 3.713 0.370 129 H ASN 22 H ASN 22 -0.923 3.644 -4.910 130 HA ASN 22 HA ASN 22 0.783 5.790 -5.903 131 HB2 ASN 22 1HB ASN 22 -2.063 5.097 -6.664 132 HB3 ASN 22 2HB ASN 22 -0.999 6.218 -7.507 133 HD21 ASN 22 1HD2 ASN 22 -1.261 2.842 -6.498 134 HD22 ASN 22 2HD2 ASN 22 -0.430 2.186 -7.864 135 H LEU 23 H LEU 23 0.960 7.384 -4.426 136 HA LEU 23 HA LEU 23 -1.537 8.663 -3.545 137 HB2 LEU 23 1HB LEU 23 0.862 7.921 -1.913 138 HB3 LEU 23 2HB LEU 23 -0.164 9.274 -1.441 139 HG LEU 23 HG LEU 23 -1.312 6.538 -1.884 140 HD11 LEU 23 1HD1 LEU 23 0.539 7.321 0.180 141 HD12 LEU 23 2HD1 LEU 23 -0.181 5.745 -0.147 142 HD13 LEU 23 3HD1 LEU 23 -1.035 6.912 0.863 143 HD21 LEU 23 1HD2 LEU 23 -3.074 7.330 -0.481 144 HD22 LEU 23 2HD2 LEU 23 -2.778 8.553 -1.717 145 HD23 LEU 23 3HD2 LEU 23 -2.171 8.791 -0.078 146 H LYS 24 H LYS 24 -1.314 10.941 -3.015 147 HA LYS 24 HA LYS 24 1.091 12.327 -3.784 148 HB2 LYS 24 1HB LYS 24 -0.062 13.685 -5.546 149 HB3 LYS 24 2HB LYS 24 0.217 12.007 -5.991 150 HG2 LYS 24 1HG LYS 24 -2.165 11.564 -5.238 151 HG3 LYS 24 2HG LYS 24 -2.365 13.317 -5.204 152 HD2 LYS 24 1HD LYS 24 -3.123 12.684 -7.328 153 HD3 LYS 24 2HD LYS 24 -1.485 13.279 -7.608 154 HE2 LYS 24 1HE LYS 24 -0.810 10.791 -7.295 155 HE3 LYS 24 2HE LYS 24 -2.512 10.468 -7.623 156 HZ1 LYS 24 1HZ LYS 24 -0.494 11.683 -9.401 157 HZ2 LYS 24 2HZ LYS 24 -2.146 11.923 -9.672 158 HZ3 LYS 24 3HZ LYS 24 -1.504 10.358 -9.695 159 H ILE 25 H ILE 25 1.228 13.655 -2.095 160 HA ILE 25 HA ILE 25 -1.112 15.320 -1.454 161 HB ILE 25 HB ILE 25 0.779 14.486 0.712 162 HG12 ILE 25 1HG1 ILE 25 -1.601 12.918 -0.297 163 HG13 ILE 25 2HG1 ILE 25 0.069 12.371 -0.198 164 HG21 ILE 25 1HG2 ILE 25 -1.593 16.057 0.494 165 HG22 ILE 25 2HG2 ILE 25 -1.905 14.685 1.556 166 HG23 ILE 25 3HG2 ILE 25 -0.570 15.783 1.903 167 HD11 ILE 25 1HD1 ILE 25 -0.548 13.103 2.394 168 HD12 ILE 25 2HD1 ILE 25 -2.015 12.324 1.798 169 HD13 ILE 25 3HD1 ILE 25 -0.476 11.464 1.746 170 HA PRO 26 HA PRO 26 2.325 18.165 -2.381 171 HB2 PRO 26 1HB PRO 26 0.699 20.198 -3.152 172 HB3 PRO 26 2HB PRO 26 1.163 18.877 -4.230 173 HG2 PRO 26 1HG PRO 26 -1.361 19.247 -2.664 174 HG3 PRO 26 2HG PRO 26 -1.153 18.693 -4.336 175 HD2 PRO 26 1HD PRO 26 -1.599 16.987 -2.281 176 HD3 PRO 26 2HD PRO 26 -0.614 16.547 -3.690 177 H GLU 27 H GLU 27 -0.294 18.225 -0.176 178 HA GLU 27 HA GLU 27 0.528 20.726 1.066 179 HB2 GLU 27 1HB GLU 27 -1.797 20.533 1.075 180 HB3 GLU 27 2HB GLU 27 -1.751 18.821 1.471 181 HG2 GLU 27 1HG GLU 27 -1.320 19.224 3.720 182 HG3 GLU 27 2HG GLU 27 -0.785 20.876 3.418 183 H ILE 28 H ILE 28 1.369 17.490 1.232 184 HA ILE 28 HA ILE 28 2.439 17.834 3.957 185 HB ILE 28 HB ILE 28 1.371 15.362 2.617 186 HG12 ILE 28 1HG1 ILE 28 0.852 16.467 5.380 187 HG13 ILE 28 2HG1 ILE 28 -0.114 16.903 3.974 188 HG21 ILE 28 1HG2 ILE 28 2.249 14.068 4.519 189 HG22 ILE 28 2HG2 ILE 28 3.532 14.762 3.529 190 HG23 ILE 28 3HG2 ILE 28 3.113 15.502 5.074 191 HD11 ILE 28 1HD1 ILE 28 -1.064 15.106 5.435 192 HD12 ILE 28 2HD1 ILE 28 -0.906 14.687 3.729 193 HD13 ILE 28 3HD1 ILE 28 0.259 14.071 4.900 194 H ASN 29 H ASN 29 4.494 16.862 4.391 195 HA ASN 29 HA ASN 29 6.165 16.643 1.979 196 HB2 ASN 29 1HB ASN 29 6.725 17.638 4.758 197 HB3 ASN 29 2HB ASN 29 8.042 17.088 3.725 198 HD21 ASN 29 1HD2 ASN 29 7.411 17.981 1.294 199 HD22 ASN 29 2HD2 ASN 29 7.305 19.705 1.272 200 H SER 30 H SER 30 7.497 14.909 1.680 201 HA SER 30 HA SER 30 6.801 12.464 2.889 202 HB2 SER 30 1HB SER 30 8.892 13.371 0.972 203 HB3 SER 30 2HB SER 30 9.141 11.818 1.770 204 HG SER 30 HG SER 30 7.976 11.609 -0.193 205 H SER 31 H SER 31 8.818 14.962 3.951 206 HA SER 31 HA SER 31 10.601 13.305 5.510 207 HB2 SER 31 1HB SER 31 10.194 16.303 5.618 208 HB3 SER 31 2HB SER 31 11.545 15.403 6.307 209 HG SER 31 HG SER 31 11.900 14.679 4.051 210 H ASP 32 H ASP 32 7.458 14.420 5.848 211 HA ASP 32 HA ASP 32 7.572 14.022 8.765 212 HB2 ASP 32 1HB ASP 32 6.171 16.119 7.161 213 HB3 ASP 32 2HB ASP 32 5.416 15.546 8.646 214 H MET 33 H MET 33 6.857 12.385 6.222 215 HA MET 33 HA MET 33 4.131 11.600 6.944 216 HB2 MET 33 1HB MET 33 5.857 11.192 4.533 217 HB3 MET 33 2HB MET 33 4.531 10.079 4.840 218 HG2 MET 33 1HG MET 33 2.920 11.784 4.656 219 HG3 MET 33 2HG MET 33 4.141 13.051 4.746 220 HE1 MET 33 1HE MET 33 4.751 9.843 2.168 221 HE2 MET 33 2HE MET 33 3.184 9.892 2.975 222 HE3 MET 33 3HE MET 33 3.299 10.244 1.250 223 H SER 34 H SER 34 3.613 9.311 7.139 224 HA SER 34 HA SER 34 5.790 7.487 7.718 225 HB2 SER 34 1HB SER 34 3.805 8.279 9.864 226 HB3 SER 34 2HB SER 34 4.986 6.977 9.998 227 HG SER 34 HG SER 34 5.572 9.109 10.907 228 H ALA 35 H ALA 35 5.261 5.544 6.980 229 HA ALA 35 HA ALA 35 2.407 4.819 6.841 230 HB1 ALA 35 1HB ALA 35 3.306 5.372 4.617 231 HB2 ALA 35 2HB ALA 35 4.522 4.108 4.813 232 HB3 ALA 35 3HB ALA 35 2.812 3.683 4.743 233 H HIS 36 H HIS 36 1.905 2.593 7.066 234 HA HIS 36 HA HIS 36 4.012 0.749 7.813 235 HB2 HIS 36 1HB HIS 36 1.824 1.449 9.781 236 HB3 HIS 36 2HB HIS 36 3.077 0.232 10.007 237 HD1 HIS 36 1HD HIS 36 2.529 3.936 10.006 238 HD2 HIS 36 2HD HIS 36 5.573 1.214 10.770 239 HE1 HIS 36 1HE HIS 36 4.359 5.265 11.105 240 HE2 HIS 36 2HE HIS 36 6.224 3.615 11.480 241 H VAL 37 H VAL 37 3.468 -1.356 7.462 242 HA VAL 37 HA VAL 37 0.823 -1.822 6.285 243 HB VAL 37 HB VAL 37 3.382 -3.413 6.101 244 HG11 VAL 37 1HG1 VAL 37 0.586 -4.093 5.378 245 HG12 VAL 37 2HG1 VAL 37 1.864 -4.572 4.260 246 HG13 VAL 37 3HG1 VAL 37 1.898 -5.132 5.932 247 HG21 VAL 37 1HG2 VAL 37 1.838 -2.041 3.911 248 HG22 VAL 37 2HG2 VAL 37 3.162 -1.272 4.786 249 HG23 VAL 37 3HG2 VAL 37 3.462 -2.724 3.831 250 H THR 38 H THR 38 -0.580 -2.379 7.851 251 HA THR 38 HA THR 38 0.218 -4.090 10.046 252 HB THR 38 HB THR 38 -2.577 -3.142 9.416 253 HG1 THR 38 1HG THR 38 -1.919 -1.213 9.955 254 HG21 THR 38 1HG2 THR 38 -3.147 -4.158 11.316 255 HG22 THR 38 2HG2 THR 38 -1.887 -3.293 12.197 256 HG23 THR 38 3HG2 THR 38 -1.518 -4.826 11.408 257 H SER 39 H SER 39 -0.075 -6.225 10.181 258 HA SER 39 HA SER 39 -1.319 -7.590 7.924 259 HB2 SER 39 1HB SER 39 0.368 -8.595 10.225 260 HB3 SER 39 2HB SER 39 -0.332 -9.645 8.993 261 HG SER 39 HG SER 39 0.894 -8.588 7.441 262 HA PRO 40 HA PRO 40 -5.020 -8.716 9.997 263 HB2 PRO 40 1HB PRO 40 -5.492 -11.171 8.940 264 HB3 PRO 40 2HB PRO 40 -5.694 -9.674 8.021 265 HG2 PRO 40 1HG PRO 40 -3.403 -11.602 8.023 266 HG3 PRO 40 2HG PRO 40 -4.181 -10.790 6.652 267 HD2 PRO 40 1HD PRO 40 -1.842 -9.935 7.715 268 HD3 PRO 40 2HD PRO 40 -3.028 -8.825 6.999 269 H SER 41 H SER 41 -2.114 -10.317 10.559 270 HA SER 41 HA SER 41 -3.245 -12.225 12.457 271 HB2 SER 41 1HB SER 41 -1.180 -13.307 12.452 272 HB3 SER 41 2HB SER 41 -1.270 -12.677 10.807 273 HG SER 41 HG SER 41 -0.136 -10.765 11.858 274 H GLY 42 H GLY 42 -2.022 -9.067 12.399 275 HA2 GLY 42 1HA GLY 42 -2.307 -7.719 14.393 276 HA3 GLY 42 2HA GLY 42 -1.791 -9.107 15.340 277 H ARG 43 H ARG 43 -0.053 -8.502 12.445 278 HA ARG 43 HA ARG 43 2.128 -7.283 14.008 279 HB2 ARG 43 1HB ARG 43 2.519 -9.672 13.343 280 HB3 ARG 43 2HB ARG 43 2.451 -9.159 11.663 281 HG2 ARG 43 1HG ARG 43 4.447 -7.980 11.810 282 HG3 ARG 43 2HG ARG 43 4.378 -7.897 13.572 283 HD2 ARG 43 1HD ARG 43 5.948 -9.536 13.321 284 HD3 ARG 43 2HD ARG 43 4.487 -10.522 13.354 285 HE ARG 43 HE ARG 43 4.980 -11.173 11.233 286 HH11 ARG 43 1HH1 ARG 43 6.494 -8.091 11.809 287 HH12 ARG 43 2HH1 ARG 43 7.275 -8.039 10.263 288 HH21 ARG 43 1HH2 ARG 43 6.004 -11.116 9.195 289 HH22 ARG 43 2HH2 ARG 43 6.995 -9.760 8.777 290 H VAL 44 H VAL 44 2.687 -5.324 13.347 291 HA VAL 44 HA VAL 44 2.164 -4.582 10.541 292 HB VAL 44 HB VAL 44 0.679 -3.331 11.960 293 HG11 VAL 44 1HG1 VAL 44 3.160 -2.707 13.539 294 HG12 VAL 44 2HG1 VAL 44 1.677 -1.761 13.684 295 HG13 VAL 44 3HG1 VAL 44 1.674 -3.477 14.093 296 HG21 VAL 44 1HG2 VAL 44 1.593 -2.110 10.089 297 HG22 VAL 44 2HG2 VAL 44 1.420 -1.021 11.466 298 HG23 VAL 44 3HG2 VAL 44 3.009 -1.653 11.035 299 H THR 45 H THR 45 3.781 -3.672 9.388 300 HA THR 45 HA THR 45 6.346 -3.258 10.782 301 HB THR 45 HB THR 45 7.246 -3.599 8.331 302 HG1 THR 45 1HG THR 45 4.993 -3.816 7.554 303 HG21 THR 45 1HG2 THR 45 7.388 -6.067 8.787 304 HG22 THR 45 2HG2 THR 45 6.326 -5.806 10.171 305 HG23 THR 45 3HG2 THR 45 7.913 -5.038 10.119 306 H GLU 46 H GLU 46 7.849 -1.848 9.261 307 HA GLU 46 HA GLU 46 6.375 0.642 8.825 308 HB2 GLU 46 1HB GLU 46 8.260 0.836 10.314 309 HB3 GLU 46 2HB GLU 46 9.324 0.073 9.141 310 HG2 GLU 46 1HG GLU 46 8.798 2.029 7.614 311 HG3 GLU 46 2HG GLU 46 8.085 2.802 9.028 312 H ALA 47 H ALA 47 6.044 1.472 6.863 313 HA ALA 47 HA ALA 47 7.123 0.047 4.556 314 HB1 ALA 47 1HB ALA 47 4.631 0.856 5.007 315 HB2 ALA 47 2HB ALA 47 5.237 2.306 4.207 316 HB3 ALA 47 3HB ALA 47 5.309 0.749 3.382 317 H GLU 48 H GLU 48 8.165 1.103 2.823 318 HA GLU 48 HA GLU 48 9.723 3.420 3.666 319 HB2 GLU 48 1HB GLU 48 10.905 1.475 2.733 320 HB3 GLU 48 2HB GLU 48 10.006 1.649 1.232 321 HG2 GLU 48 1HG GLU 48 11.068 3.722 0.744 322 HG3 GLU 48 2HG GLU 48 11.808 3.783 2.343 323 H ILE 49 H ILE 49 9.867 5.333 2.484 324 HA ILE 49 HA ILE 49 7.652 5.774 0.589 325 HB ILE 49 HB ILE 49 8.967 7.766 2.440 326 HG12 ILE 49 1HG1 ILE 49 6.080 6.925 2.464 327 HG13 ILE 49 2HG1 ILE 49 7.296 6.005 3.343 328 HG21 ILE 49 1HG2 ILE 49 8.339 8.797 0.327 329 HG22 ILE 49 2HG2 ILE 49 6.711 8.137 0.476 330 HG23 ILE 49 3HG2 ILE 49 7.280 9.345 1.627 331 HD11 ILE 49 1HD1 ILE 49 6.309 7.495 4.882 332 HD12 ILE 49 2HD1 ILE 49 7.906 8.144 4.509 333 HD13 ILE 49 3HD1 ILE 49 6.471 8.858 3.775 334 H VAL 50 H VAL 50 8.510 5.642 -1.398 335 HA VAL 50 HA VAL 50 11.129 6.825 -1.931 336 HB VAL 50 HB VAL 50 9.342 5.141 -3.692 337 HG11 VAL 50 1HG1 VAL 50 12.173 5.498 -4.399 338 HG12 VAL 50 2HG1 VAL 50 10.741 5.440 -5.429 339 HG13 VAL 50 3HG1 VAL 50 11.165 6.932 -4.588 340 HG21 VAL 50 1HG2 VAL 50 10.542 3.310 -3.079 341 HG22 VAL 50 2HG2 VAL 50 12.012 4.235 -2.774 342 HG23 VAL 50 3HG2 VAL 50 10.705 4.240 -1.590 343 HA PRO 51 HA PRO 51 9.294 10.498 -3.579 344 HB2 PRO 51 1HB PRO 51 11.511 11.470 -4.807 345 HB3 PRO 51 2HB PRO 51 11.280 11.528 -3.056 346 HG2 PRO 51 1HG PRO 51 12.867 9.590 -4.694 347 HG3 PRO 51 2HG PRO 51 13.295 10.372 -3.161 348 HD2 PRO 51 1HD PRO 51 12.387 7.824 -3.294 349 HD3 PRO 51 2HD PRO 51 12.051 8.887 -1.912 350 H MET 52 H MET 52 7.981 10.523 -5.285 351 HA MET 52 HA MET 52 8.675 9.065 -7.698 352 HB2 MET 52 1HB MET 52 6.180 10.434 -6.725 353 HB3 MET 52 2HB MET 52 6.330 9.884 -8.389 354 HG2 MET 52 1HG MET 52 7.031 7.632 -7.179 355 HG3 MET 52 2HG MET 52 6.053 8.325 -5.888 356 HE1 MET 52 1HE MET 52 2.549 8.056 -6.898 357 HE2 MET 52 2HE MET 52 3.549 7.029 -5.871 358 HE3 MET 52 3HE MET 52 3.779 8.778 -5.859 359 H GLY 53 H GLY 53 7.152 12.262 -7.283 360 HA2 GLY 53 1HA GLY 53 9.221 13.615 -8.736 361 HA3 GLY 53 2HA GLY 53 7.793 13.334 -9.722 362 H LYS 54 H LYS 54 5.965 14.538 -9.391 363 HA LYS 54 HA LYS 54 6.321 16.911 -7.733 364 HB2 LYS 54 1HB LYS 54 5.549 16.942 -10.182 365 HB3 LYS 54 2HB LYS 54 4.004 16.360 -9.576 366 HG2 LYS 54 1HG LYS 54 3.584 18.588 -9.576 367 HG3 LYS 54 2HG LYS 54 4.268 18.433 -7.956 368 HD2 LYS 54 1HD LYS 54 6.520 18.949 -9.067 369 HD3 LYS 54 2HD LYS 54 5.567 19.482 -10.453 370 HE2 LYS 54 1HE LYS 54 4.878 20.526 -7.750 371 HE3 LYS 54 2HE LYS 54 6.303 21.167 -8.566 372 HZ1 LYS 54 1HZ LYS 54 3.480 21.300 -9.424 373 HZ2 LYS 54 2HZ LYS 54 4.742 21.519 -10.529 374 HZ3 LYS 54 3HZ LYS 54 4.580 22.567 -9.211 375 H ASN 55 H ASN 55 5.654 16.787 -5.696 376 HA ASN 55 HA ASN 55 4.530 16.026 -3.836 377 HB2 ASN 55 1HB ASN 55 2.051 16.573 -4.011 378 HB3 ASN 55 2HB ASN 55 3.162 17.892 -4.369 379 HD21 ASN 55 1HD2 ASN 55 2.961 18.919 -6.241 380 HD22 ASN 55 2HD2 ASN 55 1.970 18.408 -7.560 381 H SER 56 H SER 56 5.275 13.811 -5.134 382 HA SER 56 HA SER 56 2.929 12.063 -4.855 383 HB2 SER 56 1HB SER 56 4.859 12.217 -7.139 384 HB3 SER 56 2HB SER 56 4.162 10.655 -6.709 385 HG SER 56 HG SER 56 2.680 11.423 -8.055 386 H HIS 57 H HIS 57 3.302 10.073 -3.924 387 HA HIS 57 HA HIS 57 6.055 9.462 -3.105 388 HB2 HIS 57 1HB HIS 57 3.850 8.946 -1.162 389 HB3 HIS 57 2HB HIS 57 5.554 9.276 -0.863 390 HD1 HIS 57 1HD HIS 57 6.282 11.850 -1.182 391 HD2 HIS 57 2HD HIS 57 2.203 11.107 -0.913 392 HE1 HIS 57 1HE HIS 57 5.227 14.071 -0.657 393 HE2 HIS 57 2HE HIS 57 2.768 13.581 -0.414 394 H CYS 58 H CYS 58 6.524 7.273 -2.819 395 HA CYS 58 HA CYS 58 4.426 5.411 -3.721 396 HB2 CYS 58 1HB CYS 58 5.933 5.570 -5.541 397 HB3 CYS 58 2HB CYS 58 7.338 5.538 -4.483 398 HG CYS 58 HG CYS 58 7.748 3.079 -5.127 399 H VAL 59 H VAL 59 3.913 3.974 -2.222 400 HA VAL 59 HA VAL 59 5.780 3.446 -0.035 401 HB VAL 59 HB VAL 59 2.877 2.664 -0.334 402 HG11 VAL 59 1HG1 VAL 59 4.545 2.574 2.167 403 HG12 VAL 59 2HG1 VAL 59 2.937 1.897 1.900 404 HG13 VAL 59 3HG1 VAL 59 4.339 1.181 1.105 405 HG21 VAL 59 1HG2 VAL 59 3.980 5.157 0.219 406 HG22 VAL 59 2HG2 VAL 59 2.314 4.652 0.500 407 HG23 VAL 59 3HG2 VAL 59 3.507 4.517 1.792 408 H ARG 60 H ARG 60 7.238 1.962 -0.749 409 HA ARG 60 HA ARG 60 6.380 -0.375 -2.226 410 HB2 ARG 60 1HB ARG 60 8.654 1.008 -2.345 411 HB3 ARG 60 2HB ARG 60 9.133 -0.153 -1.114 412 HG2 ARG 60 1HG ARG 60 8.366 -1.957 -2.722 413 HG3 ARG 60 2HG ARG 60 8.291 -0.686 -3.944 414 HD2 ARG 60 1HD ARG 60 10.421 -1.473 -4.274 415 HD3 ARG 60 2HD ARG 60 10.724 -0.175 -3.119 416 HE ARG 60 HE ARG 60 10.352 -2.366 -1.554 417 HH11 ARG 60 1HH1 ARG 60 12.436 -1.626 -4.243 418 HH12 ARG 60 2HH1 ARG 60 13.710 -2.674 -3.713 419 HH21 ARG 60 1HH2 ARG 60 12.022 -3.749 -0.846 420 HH22 ARG 60 2HH2 ARG 60 13.473 -3.882 -1.781 421 H PHE 61 H PHE 61 5.826 -2.261 -1.362 422 HA PHE 61 HA PHE 61 6.985 -3.198 1.107 423 HB2 PHE 61 1HB PHE 61 4.995 -3.334 2.402 424 HB3 PHE 61 2HB PHE 61 5.060 -1.687 1.782 425 HD1 PHE 61 1HD PHE 61 3.511 -5.005 1.231 426 HD2 PHE 61 2HD PHE 61 3.312 -0.817 0.497 427 HE1 PHE 61 1HE PHE 61 1.261 -5.282 0.275 428 HE2 PHE 61 2HE PHE 61 1.062 -1.088 -0.459 429 HZ PHE 61 HZ PHE 61 0.032 -3.322 -0.571 430 H VAL 62 H VAL 62 6.096 -5.393 1.690 431 HA VAL 62 HA VAL 62 5.267 -6.839 -0.742 432 HB VAL 62 HB VAL 62 7.081 -7.921 1.416 433 HG11 VAL 62 1HG1 VAL 62 6.449 -9.026 -1.316 434 HG12 VAL 62 2HG1 VAL 62 7.416 -9.789 -0.053 435 HG13 VAL 62 3HG1 VAL 62 5.682 -9.564 0.177 436 HG21 VAL 62 1HG2 VAL 62 7.673 -6.595 -1.201 437 HG22 VAL 62 2HG2 VAL 62 8.434 -6.351 0.371 438 HG23 VAL 62 3HG2 VAL 62 8.765 -7.818 -0.550 439 HA PRO 63 HA PRO 63 1.885 -7.822 2.059 440 HB2 PRO 63 1HB PRO 63 0.311 -8.913 0.134 441 HB3 PRO 63 2HB PRO 63 0.463 -7.169 0.376 442 HG2 PRO 63 1HG PRO 63 1.819 -8.928 -1.631 443 HG3 PRO 63 2HG PRO 63 1.095 -7.325 -1.856 444 HD2 PRO 63 1HD PRO 63 3.763 -7.692 -1.582 445 HD3 PRO 63 2HD PRO 63 2.935 -6.234 -0.998 446 H GLN 64 H GLN 64 0.444 -9.956 2.077 447 HA GLN 64 HA GLN 64 2.304 -12.234 1.912 448 HB2 GLN 64 1HB GLN 64 0.228 -11.535 3.974 449 HB3 GLN 64 2HB GLN 64 0.817 -13.181 3.789 450 HG2 GLN 64 1HG GLN 64 2.499 -10.766 4.421 451 HG3 GLN 64 2HG GLN 64 1.988 -12.006 5.566 452 HE21 GLN 64 1HE2 GLN 64 4.209 -11.139 3.104 453 HE22 GLN 64 2HE2 GLN 64 5.185 -12.562 3.172 454 H GLU 65 H GLU 65 1.024 -14.390 1.960 455 HA GLU 65 HA GLU 65 -0.769 -14.317 -0.309 456 HB2 GLU 65 1HB GLU 65 -0.466 -16.638 -0.461 457 HB3 GLU 65 2HB GLU 65 1.089 -16.035 0.093 458 HG2 GLU 65 1HG GLU 65 0.239 -16.562 2.449 459 HG3 GLU 65 2HG GLU 65 -1.010 -17.507 1.640 460 H MET 66 H MET 66 -2.920 -14.424 -0.244 461 HA MET 66 HA MET 66 -5.035 -14.402 0.604 462 HB2 MET 66 1HB MET 66 -4.304 -16.611 2.477 463 HB3 MET 66 2HB MET 66 -5.743 -16.419 1.484 464 HG2 MET 66 1HG MET 66 -3.003 -17.081 0.431 465 HG3 MET 66 2HG MET 66 -4.279 -18.255 0.745 466 HE1 MET 66 1HE MET 66 -2.398 -16.668 -1.489 467 HE2 MET 66 2HE MET 66 -3.234 -16.876 -3.028 468 HE3 MET 66 3HE MET 66 -3.309 -15.328 -2.185 469 H GLY 67 H GLY 67 -3.644 -12.433 1.757 470 HA2 GLY 67 1HA GLY 67 -4.740 -12.413 4.475 471 HA3 GLY 67 2HA GLY 67 -3.028 -12.067 4.277 472 H VAL 68 H VAL 68 -5.706 -10.552 4.964 473 HA VAL 68 HA VAL 68 -5.462 -8.335 3.080 474 HB VAL 68 HB VAL 68 -7.353 -8.450 5.418 475 HG11 VAL 68 1HG1 VAL 68 -7.008 -6.314 4.172 476 HG12 VAL 68 2HG1 VAL 68 -7.633 -7.117 2.730 477 HG13 VAL 68 3HG1 VAL 68 -8.666 -6.912 4.145 478 HG21 VAL 68 1HG2 VAL 68 -7.738 -10.500 4.250 479 HG22 VAL 68 2HG2 VAL 68 -9.025 -9.379 3.807 480 HG23 VAL 68 3HG2 VAL 68 -7.695 -9.681 2.688 481 H HIS 69 H HIS 69 -4.093 -6.739 3.483 482 HA HIS 69 HA HIS 69 -3.303 -6.207 6.262 483 HB2 HIS 69 1HB HIS 69 -1.924 -5.207 3.771 484 HB3 HIS 69 2HB HIS 69 -1.289 -5.244 5.413 485 HD1 HIS 69 1HD HIS 69 -2.775 -7.981 3.214 486 HD2 HIS 69 2HD HIS 69 0.620 -7.146 5.458 487 HE1 HIS 69 1HE HIS 69 -1.344 -10.043 3.060 488 HE2 HIS 69 2HE HIS 69 0.665 -9.547 4.496 489 H THR 70 H THR 70 -2.671 -3.817 6.612 490 HA THR 70 HA THR 70 -4.587 -2.025 5.291 491 HB THR 70 HB THR 70 -4.148 -1.851 8.259 492 HG1 THR 70 1HG THR 70 -5.105 -3.960 7.390 493 HG21 THR 70 1HG2 THR 70 -5.163 0.026 6.867 494 HG22 THR 70 2HG2 THR 70 -6.101 -0.524 8.256 495 HG23 THR 70 3HG2 THR 70 -6.546 -1.042 6.630 496 H VAL 71 H VAL 71 -3.790 -0.065 4.801 497 HA VAL 71 HA VAL 71 -1.043 0.522 5.644 498 HB VAL 71 HB VAL 71 -2.638 1.845 3.447 499 HG11 VAL 71 1HG1 VAL 71 0.343 1.802 3.647 500 HG12 VAL 71 2HG1 VAL 71 -0.712 2.959 2.833 501 HG13 VAL 71 3HG1 VAL 71 -0.584 2.966 4.592 502 HG21 VAL 71 1HG2 VAL 71 -2.426 -0.241 2.548 503 HG22 VAL 71 2HG2 VAL 71 -0.864 0.430 2.080 504 HG23 VAL 71 3HG2 VAL 71 -0.985 -0.623 3.490 505 H SER 72 H SER 72 -1.019 1.668 7.481 506 HA SER 72 HA SER 72 -3.031 3.723 7.952 507 HB2 SER 72 1HB SER 72 -0.796 2.713 9.729 508 HB3 SER 72 2HB SER 72 -2.045 3.862 10.211 509 HG SER 72 HG SER 72 -3.113 2.134 10.743 510 H VAL 73 H VAL 73 -2.573 5.492 6.749 511 HA VAL 73 HA VAL 73 0.154 6.580 6.851 512 HB VAL 73 HB VAL 73 -2.118 7.312 4.999 513 HG11 VAL 73 1HG1 VAL 73 -0.541 9.157 5.456 514 HG12 VAL 73 2HG1 VAL 73 0.783 8.130 4.900 515 HG13 VAL 73 3HG1 VAL 73 -0.490 8.614 3.779 516 HG21 VAL 73 1HG2 VAL 73 -1.409 5.763 3.545 517 HG22 VAL 73 2HG2 VAL 73 0.291 6.109 3.863 518 HG23 VAL 73 3HG2 VAL 73 -0.605 5.031 4.934 519 H LYS 74 H LYS 74 0.360 7.871 8.579 520 HA LYS 74 HA LYS 74 -1.752 9.868 9.068 521 HB2 LYS 74 1HB LYS 74 -0.039 8.270 10.903 522 HB3 LYS 74 2HB LYS 74 -0.431 9.915 11.388 523 HG2 LYS 74 1HG LYS 74 -2.877 9.143 10.781 524 HG3 LYS 74 2HG LYS 74 -2.197 7.546 11.100 525 HD2 LYS 74 1HD LYS 74 -2.242 9.906 12.978 526 HD3 LYS 74 2HD LYS 74 -3.176 8.415 13.126 527 HE2 LYS 74 1HE LYS 74 -0.218 8.199 12.948 528 HE3 LYS 74 2HE LYS 74 -0.911 8.799 14.453 529 HZ1 LYS 74 1HZ LYS 74 -0.544 6.307 14.234 530 HZ2 LYS 74 2HZ LYS 74 -1.881 6.306 13.198 531 HZ3 LYS 74 3HZ LYS 74 -2.054 6.816 14.802 532 H TYR 75 H TYR 75 -1.073 11.983 9.743 533 HA TYR 75 HA TYR 75 1.718 12.656 9.136 534 HB2 TYR 75 1HB TYR 75 0.573 13.167 7.094 535 HB3 TYR 75 2HB TYR 75 -0.734 13.970 7.957 536 HD1 TYR 75 1HD TYR 75 2.954 14.218 7.428 537 HD2 TYR 75 2HD TYR 75 -0.698 16.278 8.148 538 HE1 TYR 75 1HE TYR 75 4.126 16.367 7.187 539 HE2 TYR 75 2HE TYR 75 0.463 18.433 7.908 540 HH TYR 75 HH TYR 75 2.427 19.448 7.651 541 H ARG 76 H ARG 76 2.460 13.433 10.999 542 HA ARG 76 HA ARG 76 2.686 14.697 12.876 543 HB2 ARG 76 1HB ARG 76 0.946 16.364 11.131 544 HB3 ARG 76 2HB ARG 76 1.081 16.829 12.821 545 HG2 ARG 76 1HG ARG 76 3.630 16.652 12.415 546 HG3 ARG 76 2HG ARG 76 3.190 16.755 10.709 547 HD2 ARG 76 1HD ARG 76 3.671 18.965 11.488 548 HD3 ARG 76 2HD ARG 76 1.931 18.840 11.232 549 HE ARG 76 HE ARG 76 2.472 18.224 13.905 550 HH11 ARG 76 1HH1 ARG 76 2.609 20.940 11.731 551 HH12 ARG 76 2HH1 ARG 76 2.346 22.116 12.976 552 HH21 ARG 76 1HH2 ARG 76 2.125 19.763 15.552 553 HH22 ARG 76 2HH2 ARG 76 2.071 21.446 15.149 554 H GLY 77 H GLY 77 0.656 12.554 12.722 555 HA2 GLY 77 1HA GLY 77 -0.637 11.635 14.441 556 HA3 GLY 77 2HA GLY 77 -0.718 13.220 15.196 557 H GLN 78 H GLN 78 -1.556 12.409 11.862 558 HA GLN 78 HA GLN 78 -4.394 12.571 12.443 559 HB2 GLN 78 1HB GLN 78 -4.881 14.521 11.334 560 HB3 GLN 78 2HB GLN 78 -3.309 14.935 12.005 561 HG2 GLN 78 1HG GLN 78 -2.364 14.087 9.772 562 HG3 GLN 78 2HG GLN 78 -4.022 14.225 9.188 563 HE21 GLN 78 1HE2 GLN 78 -3.839 15.910 7.834 564 HE22 GLN 78 2HE2 GLN 78 -3.338 17.496 8.301 565 H HIS 79 H HIS 79 -5.451 11.162 11.212 566 HA HIS 79 HA HIS 79 -4.081 9.726 9.145 567 HB2 HIS 79 1HB HIS 79 -6.773 9.565 10.432 568 HB3 HIS 79 2HB HIS 79 -6.525 8.754 8.888 569 HD1 HIS 79 1HD HIS 79 -4.957 6.702 8.865 570 HD2 HIS 79 2HD HIS 79 -5.459 8.412 12.618 571 HE1 HIS 79 1HE HIS 79 -4.027 5.029 10.497 572 HE2 HIS 79 2HE HIS 79 -4.419 6.049 12.766 573 H VAL 80 H VAL 80 -3.916 10.334 7.100 574 HA VAL 80 HA VAL 80 -5.157 12.582 5.998 575 HB VAL 80 HB VAL 80 -4.339 11.806 3.827 576 HG11 VAL 80 1HG1 VAL 80 -2.108 11.035 5.611 577 HG12 VAL 80 2HG1 VAL 80 -2.161 12.221 4.305 578 HG13 VAL 80 3HG1 VAL 80 -2.839 12.615 5.885 579 HG21 VAL 80 1HG2 VAL 80 -4.905 9.435 4.076 580 HG22 VAL 80 2HG2 VAL 80 -3.222 9.652 3.595 581 HG23 VAL 80 3HG2 VAL 80 -3.616 9.255 5.267 582 H THR 81 H THR 81 -6.589 12.618 4.079 583 HA THR 81 HA THR 81 -9.053 11.412 4.614 584 HB THR 81 HB THR 81 -8.061 12.592 2.012 585 HG1 THR 81 1HG THR 81 -8.671 14.477 2.837 586 HG21 THR 81 1HG2 THR 81 -10.942 12.437 2.787 587 HG22 THR 81 2HG2 THR 81 -10.165 11.029 2.063 588 HG23 THR 81 3HG2 THR 81 -10.215 12.558 1.186 589 H GLY 82 H GLY 82 -9.810 9.434 4.240 590 HA2 GLY 82 1HA GLY 82 -10.247 7.577 2.808 591 HA3 GLY 82 2HA GLY 82 -8.728 7.897 1.983 592 H SER 83 H SER 83 -7.078 8.127 4.276 593 HA SER 83 HA SER 83 -6.561 5.360 4.750 594 HB2 SER 83 1HB SER 83 -4.559 6.045 5.688 595 HB3 SER 83 2HB SER 83 -4.921 7.425 4.652 596 HG SER 83 HG SER 83 -4.441 7.543 7.169 597 HA PRO 84 HA PRO 84 -5.256 4.305 6.413 598 HB2 PRO 84 1HB PRO 84 -6.022 1.878 7.358 599 HB3 PRO 84 2HB PRO 84 -5.221 3.091 8.363 600 HG2 PRO 84 1HG PRO 84 -8.132 2.426 8.155 601 HG3 PRO 84 2HG PRO 84 -7.160 2.755 9.601 602 HD2 PRO 84 1HD PRO 84 -8.780 4.614 8.481 603 HD3 PRO 84 2HD PRO 84 -7.268 5.039 9.308 604 H PHE 85 H PHE 85 -4.972 2.806 4.731 605 HA PHE 85 HA PHE 85 -7.394 2.320 3.142 606 HB2 PHE 85 1HB PHE 85 -4.507 2.292 2.239 607 HB3 PHE 85 2HB PHE 85 -5.927 2.170 1.205 608 HD1 PHE 85 2HD PHE 85 -7.350 4.120 0.813 609 HD2 PHE 85 1HD PHE 85 -3.777 4.394 3.109 610 HE1 PHE 85 2HE PHE 85 -7.394 6.569 0.582 611 HE2 PHE 85 1HE PHE 85 -3.815 6.843 2.883 612 HZ PHE 85 HZ PHE 85 -5.624 7.934 1.617 613 H GLN 86 H GLN 86 -8.188 0.335 3.235 614 HA GLN 86 HA GLN 86 -6.428 -1.891 3.944 615 HB2 GLN 86 1HB GLN 86 -8.664 -1.415 5.109 616 HB3 GLN 86 2HB GLN 86 -9.420 -2.024 3.643 617 HG2 GLN 86 1HG GLN 86 -7.915 -4.093 4.015 618 HG3 GLN 86 2HG GLN 86 -7.773 -3.481 5.662 619 HE21 GLN 86 1HE2 GLN 86 -9.456 -3.693 7.047 620 HE22 GLN 86 2HE2 GLN 86 -10.928 -4.511 6.660 621 H PHE 87 H PHE 87 -5.924 -3.511 2.584 622 HA PHE 87 HA PHE 87 -7.382 -3.777 0.065 623 HB2 PHE 87 1HB PHE 87 -5.418 -3.699 -1.295 624 HB3 PHE 87 2HB PHE 87 -5.398 -2.259 -0.282 625 HD1 PHE 87 2HD PHE 87 -3.945 -5.626 -0.714 626 HD2 PHE 87 1HD PHE 87 -3.637 -1.850 1.226 627 HE1 PHE 87 2HE PHE 87 -1.695 -6.222 0.080 628 HE2 PHE 87 1HE PHE 87 -1.385 -2.439 2.022 629 HZ PHE 87 HZ PHE 87 -0.411 -4.628 1.451 630 H THR 88 H THR 88 -7.504 -5.838 -0.695 631 HA THR 88 HA THR 88 -6.392 -7.918 1.042 632 HB THR 88 HB THR 88 -8.510 -8.173 -1.101 633 HG1 THR 88 1HG THR 88 -8.927 -8.251 1.703 634 HG21 THR 88 1HG2 THR 88 -8.402 -10.377 -0.790 635 HG22 THR 88 2HG2 THR 88 -8.577 -10.176 0.953 636 HG23 THR 88 3HG2 THR 88 -6.976 -10.130 0.217 637 H VAL 89 H VAL 89 -4.998 -9.457 0.341 638 HA VAL 89 HA VAL 89 -3.765 -9.022 -2.263 639 HB VAL 89 HB VAL 89 -2.886 -11.022 -0.189 640 HG11 VAL 89 1HG1 VAL 89 -2.034 -10.795 -2.693 641 HG12 VAL 89 2HG1 VAL 89 -1.028 -9.541 -1.966 642 HG13 VAL 89 3HG1 VAL 89 -0.945 -11.197 -1.366 643 HG21 VAL 89 1HG2 VAL 89 -1.773 -8.246 -0.381 644 HG22 VAL 89 2HG2 VAL 89 -3.156 -8.602 0.654 645 HG23 VAL 89 3HG2 VAL 89 -1.616 -9.418 0.928 646 H GLY 90 H GLY 90 -3.722 -10.489 -3.914 647 HA2 GLY 90 1HA GLY 90 -5.502 -12.822 -3.593 648 HA3 GLY 90 2HA GLY 90 -5.251 -11.959 -5.104 649 HA PRO 91 HA PRO 91 -2.609 -15.721 -5.287 650 HB2 PRO 91 1HB PRO 91 -3.086 -16.190 -7.918 651 HB3 PRO 91 2HB PRO 91 -4.153 -16.763 -6.631 652 HG2 PRO 91 1HG PRO 91 -4.433 -14.360 -8.395 653 HG3 PRO 91 2HG PRO 91 -5.667 -15.532 -7.896 654 HD2 PRO 91 1HD PRO 91 -5.410 -13.101 -6.730 655 HD3 PRO 91 2HD PRO 91 -5.963 -14.534 -5.839 656 H LEU 92 H LEU 92 -0.505 -15.737 -5.865 657 HA LEU 92 HA LEU 92 0.858 -13.462 -6.615 658 HB2 LEU 92 1HB LEU 92 2.767 -14.759 -6.732 659 HB3 LEU 92 2HB LEU 92 1.721 -15.690 -5.662 660 HG LEU 92 HG LEU 92 1.094 -16.912 -7.924 661 HD11 LEU 92 1HD1 LEU 92 3.494 -17.108 -9.058 662 HD12 LEU 92 2HD1 LEU 92 3.589 -15.432 -8.518 663 HD13 LEU 92 3HD1 LEU 92 2.284 -15.940 -9.591 664 HD21 LEU 92 1HD2 LEU 92 1.942 -18.492 -6.609 665 HD22 LEU 92 2HD2 LEU 92 3.020 -17.346 -5.811 666 HD23 LEU 92 3HD2 LEU 92 3.517 -18.126 -7.313 667 H GLY 93 H GLY 93 -0.877 -15.685 -8.599 668 HA2 GLY 93 1HA GLY 93 -1.577 -15.112 -10.797 669 HA3 GLY 93 2HA GLY 93 -0.158 -14.087 -10.951 670 H GLU 94 H GLU 94 0.021 -15.200 -13.049 671 HA GLU 94 HA GLU 94 1.227 -17.874 -12.787 672 HB2 GLU 94 1HB GLU 94 0.702 -18.190 -15.163 673 HB3 GLU 94 2HB GLU 94 -0.743 -17.834 -14.228 674 HG2 GLU 94 1HG GLU 94 -1.048 -15.798 -15.203 675 HG3 GLU 94 2HG GLU 94 0.670 -15.572 -15.527 676 H GLY 95 H GLY 95 2.711 -18.179 -14.939 677 HA2 GLY 95 1HA GLY 95 4.302 -16.824 -16.313 678 HA3 GLY 95 2HA GLY 95 4.639 -15.941 -14.832 679 H GLY 96 H GLY 96 6.761 -16.406 -14.542 680 HA2 GLY 96 1HA GLY 96 7.406 -19.252 -14.104 681 HA3 GLY 96 2HA GLY 96 8.488 -18.212 -15.017 682 H SER 97 H SER 97 7.291 -19.057 -11.867 683 HA SER 97 HA SER 97 9.221 -17.209 -10.634 684 HB2 SER 97 1HB SER 97 6.765 -18.550 -9.481 685 HB3 SER 97 2HB SER 97 7.907 -17.598 -8.532 686 HG SER 97 HG SER 97 5.945 -16.517 -9.444 687 H GLY 98 H GLY 98 11.074 -18.096 -10.025 688 HA2 GLY 98 1HA GLY 98 11.040 -20.726 -8.737 689 HA3 GLY 98 2HA GLY 98 12.059 -20.527 -10.155 690 HA PRO 99 HA PRO 99 14.198 -19.183 -6.125 691 HB2 PRO 99 1HB PRO 99 15.880 -21.298 -5.861 692 HB3 PRO 99 2HB PRO 99 14.275 -21.248 -5.122 693 HG2 PRO 99 1HG PRO 99 15.156 -22.589 -7.649 694 HG3 PRO 99 2HG PRO 99 14.085 -23.198 -6.374 695 HD2 PRO 99 1HD PRO 99 13.148 -22.189 -8.705 696 HD3 PRO 99 2HD PRO 99 12.263 -22.034 -7.174 697 H SER 100 H SER 100 15.348 -17.578 -7.094 698 HA SER 100 HA SER 100 17.126 -17.995 -9.276 699 HB2 SER 100 1HB SER 100 16.649 -15.679 -7.404 700 HB3 SER 100 2HB SER 100 17.902 -15.628 -8.645 701 HG SER 100 HG SER 100 15.974 -16.355 -10.037 702 H SER 101 H SER 101 18.929 -19.145 -9.079 703 HA SER 101 HA SER 101 20.280 -19.716 -6.708 704 HB2 SER 101 1HB SER 101 22.140 -20.469 -8.167 705 HB3 SER 101 2HB SER 101 20.575 -21.067 -8.717 706 HG SER 101 HG SER 101 20.567 -19.476 -10.305 707 H GLY 102 H GLY 102 22.423 -19.057 -6.017 708 HA2 GLY 102 1HA GLY 102 23.960 -16.990 -6.927 709 HA3 GLY 102 2HA GLY 102 22.682 -16.195 -6.019 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -24.930 9.881 3.045 2 HA2 GLY 1 1HA GLY 1 -23.430 11.426 1.411 3 HA3 GLY 1 2HA GLY 1 -22.269 10.937 2.637 4 H SER 2 H SER 2 -21.613 10.196 0.207 5 HA SER 2 HA SER 2 -21.736 7.328 0.324 6 HB2 SER 2 1HB SER 2 -22.856 6.878 -1.703 7 HB3 SER 2 2HB SER 2 -23.859 8.093 -0.912 8 HG SER 2 HG SER 2 -23.604 9.184 -2.683 9 H SER 3 H SER 3 -20.398 6.324 -1.406 10 HA SER 3 HA SER 3 -18.587 8.050 -2.848 11 HB2 SER 3 1HB SER 3 -17.699 6.469 -0.443 12 HB3 SER 3 2HB SER 3 -16.575 6.866 -1.743 13 HG SER 3 HG SER 3 -17.003 8.372 0.224 14 H GLY 4 H GLY 4 -16.886 6.687 -4.012 15 HA2 GLY 4 1HA GLY 4 -17.903 3.982 -4.580 16 HA3 GLY 4 2HA GLY 4 -17.648 5.113 -5.901 17 H SER 5 H SER 5 -16.380 2.673 -5.879 18 HA SER 5 HA SER 5 -13.611 3.315 -5.119 19 HB2 SER 5 1HB SER 5 -13.165 0.948 -5.091 20 HB3 SER 5 2HB SER 5 -14.632 1.232 -4.156 21 HG SER 5 HG SER 5 -15.391 -0.269 -5.433 22 H SER 6 H SER 6 -11.905 2.689 -6.594 23 HA SER 6 HA SER 6 -12.752 2.977 -9.395 24 HB2 SER 6 1HB SER 6 -10.370 3.700 -9.774 25 HB3 SER 6 2HB SER 6 -11.293 4.763 -8.712 26 HG SER 6 HG SER 6 -9.795 2.672 -7.594 27 H GLY 7 H GLY 7 -11.683 1.742 -11.033 28 HA2 GLY 7 1HA GLY 7 -10.791 -0.171 -11.940 29 HA3 GLY 7 2HA GLY 7 -9.859 -0.345 -10.460 30 H ARG 8 H ARG 8 -11.606 -2.153 -12.279 31 HA ARG 8 HA ARG 8 -13.118 -3.390 -10.072 32 HB2 ARG 8 1HB ARG 8 -14.592 -4.352 -11.865 33 HB3 ARG 8 2HB ARG 8 -14.700 -2.606 -11.680 34 HG2 ARG 8 1HG ARG 8 -12.799 -3.692 -13.687 35 HG3 ARG 8 2HG ARG 8 -14.525 -3.737 -14.048 36 HD2 ARG 8 1HD ARG 8 -14.715 -1.377 -13.832 37 HD3 ARG 8 2HD ARG 8 -13.095 -1.247 -13.148 38 HE ARG 8 HE ARG 8 -12.987 -2.379 -15.739 39 HH11 ARG 8 1HH1 ARG 8 -13.494 0.643 -14.086 40 HH12 ARG 8 2HH1 ARG 8 -12.913 1.610 -15.401 41 HH21 ARG 8 1HH2 ARG 8 -12.221 -1.117 -17.478 42 HH22 ARG 8 2HH2 ARG 8 -12.191 0.607 -17.331 43 H ALA 9 H ALA 9 -10.389 -3.905 -10.549 44 HA ALA 9 HA ALA 9 -10.134 -6.338 -12.067 45 HB1 ALA 9 1HB ALA 9 -8.105 -5.321 -10.106 46 HB2 ALA 9 2HB ALA 9 -7.852 -6.251 -11.584 47 HB3 ALA 9 3HB ALA 9 -8.331 -4.556 -11.680 48 HA PRO 10 HA PRO 10 -11.226 -9.213 -8.920 49 HB2 PRO 10 1HB PRO 10 -9.815 -11.368 -9.778 50 HB3 PRO 10 2HB PRO 10 -11.277 -10.793 -10.587 51 HG2 PRO 10 1HG PRO 10 -8.408 -10.323 -11.301 52 HG3 PRO 10 2HG PRO 10 -9.775 -10.715 -12.361 53 HD2 PRO 10 1HD PRO 10 -8.824 -8.195 -12.081 54 HD3 PRO 10 2HD PRO 10 -10.538 -8.540 -12.391 55 H SER 11 H SER 11 -8.229 -7.818 -9.178 56 HA SER 11 HA SER 11 -7.451 -8.756 -6.556 57 HB2 SER 11 1HB SER 11 -5.234 -9.517 -7.204 58 HB3 SER 11 2HB SER 11 -6.448 -10.439 -8.089 59 HG SER 11 HG SER 11 -6.016 -8.512 -9.673 60 H VAL 12 H VAL 12 -6.901 -6.997 -5.472 61 HA VAL 12 HA VAL 12 -6.155 -4.574 -6.869 62 HB VAL 12 HB VAL 12 -6.133 -3.562 -4.583 63 HG11 VAL 12 1HG1 VAL 12 -8.683 -4.185 -4.202 64 HG12 VAL 12 2HG1 VAL 12 -8.158 -3.184 -5.558 65 HG13 VAL 12 3HG1 VAL 12 -8.486 -4.900 -5.802 66 HG21 VAL 12 1HG2 VAL 12 -6.931 -4.830 -2.695 67 HG22 VAL 12 2HG2 VAL 12 -7.141 -6.265 -3.699 68 HG23 VAL 12 3HG2 VAL 12 -5.523 -5.642 -3.380 69 H ALA 13 H ALA 13 -4.579 -7.158 -5.256 70 HA ALA 13 HA ALA 13 -1.997 -5.968 -5.791 71 HB1 ALA 13 1HB ALA 13 -2.989 -5.455 -3.329 72 HB2 ALA 13 2HB ALA 13 -2.137 -6.970 -3.031 73 HB3 ALA 13 3HB ALA 13 -1.270 -5.587 -3.697 74 H THR 14 H THR 14 -0.234 -7.497 -5.551 75 HA THR 14 HA THR 14 -1.166 -10.288 -5.729 76 HB THR 14 HB THR 14 1.309 -9.118 -7.013 77 HG1 THR 14 1HG THR 14 0.056 -9.330 -8.956 78 HG21 THR 14 1HG2 THR 14 0.889 -11.701 -6.389 79 HG22 THR 14 2HG2 THR 14 1.781 -11.185 -7.820 80 HG23 THR 14 3HG2 THR 14 0.082 -11.638 -7.955 81 H VAL 15 H VAL 15 -0.053 -11.887 -4.651 82 HA VAL 15 HA VAL 15 1.361 -11.099 -2.304 83 HB VAL 15 HB VAL 15 -0.044 -13.069 -2.248 84 HG11 VAL 15 1HG1 VAL 15 1.776 -14.770 -3.811 85 HG12 VAL 15 2HG1 VAL 15 0.013 -14.769 -3.723 86 HG13 VAL 15 3HG1 VAL 15 0.848 -13.600 -4.748 87 HG21 VAL 15 1HG2 VAL 15 1.286 -13.883 -0.666 88 HG22 VAL 15 2HG2 VAL 15 2.337 -14.607 -1.883 89 HG23 VAL 15 3HG2 VAL 15 2.625 -12.954 -1.340 90 H GLY 16 H GLY 16 3.510 -11.229 -1.810 91 HA2 GLY 16 1HA GLY 16 5.777 -11.608 -2.112 92 HA3 GLY 16 2HA GLY 16 5.399 -12.491 -3.583 93 H SER 17 H SER 17 3.993 -10.499 -4.965 94 HA SER 17 HA SER 17 6.183 -8.995 -6.013 95 HB2 SER 17 1HB SER 17 3.235 -8.703 -6.637 96 HB3 SER 17 2HB SER 17 4.581 -8.133 -7.624 97 HG SER 17 HG SER 17 4.100 -10.852 -6.966 98 H ILE 18 H ILE 18 6.707 -6.889 -5.751 99 HA ILE 18 HA ILE 18 5.960 -5.524 -3.435 100 HB ILE 18 HB ILE 18 7.118 -4.335 -5.959 101 HG12 ILE 18 1HG1 ILE 18 8.414 -6.245 -4.991 102 HG13 ILE 18 2HG1 ILE 18 9.287 -4.717 -4.982 103 HG21 ILE 18 1HG2 ILE 18 6.508 -2.480 -4.759 104 HG22 ILE 18 2HG2 ILE 18 6.687 -3.292 -3.204 105 HG23 ILE 18 3HG2 ILE 18 8.117 -2.775 -4.099 106 HD11 ILE 18 1HD1 ILE 18 9.567 -6.024 -2.914 107 HD12 ILE 18 2HD1 ILE 18 8.857 -4.433 -2.637 108 HD13 ILE 18 3HD1 ILE 18 7.836 -5.871 -2.614 109 H CYS 19 H CYS 19 4.403 -4.088 -2.943 110 HA CYS 19 HA CYS 19 2.393 -3.537 -5.005 111 HB2 CYS 19 1HB CYS 19 1.780 -4.631 -2.783 112 HB3 CYS 19 2HB CYS 19 2.098 -3.068 -2.041 113 HG CYS 19 HG CYS 19 -0.434 -2.571 -2.216 114 H ASP 20 H ASP 20 2.358 -1.609 -5.930 115 HA ASP 20 HA ASP 20 3.753 0.619 -4.641 116 HB2 ASP 20 1HB ASP 20 2.649 0.517 -7.452 117 HB3 ASP 20 2HB ASP 20 3.817 1.662 -6.799 118 H LEU 21 H LEU 21 2.716 2.313 -3.798 119 HA LEU 21 HA LEU 21 -0.198 2.457 -4.166 120 HB2 LEU 21 1HB LEU 21 1.034 2.191 -1.856 121 HB3 LEU 21 2HB LEU 21 1.228 3.936 -2.008 122 HG LEU 21 HG LEU 21 -1.264 4.103 -2.229 123 HD11 LEU 21 1HD1 LEU 21 -1.217 1.449 -2.696 124 HD12 LEU 21 2HD1 LEU 21 -2.637 2.323 -2.123 125 HD13 LEU 21 3HD1 LEU 21 -1.610 1.462 -0.977 126 HD21 LEU 21 1HD2 LEU 21 -1.380 4.469 -0.024 127 HD22 LEU 21 2HD2 LEU 21 0.318 3.990 -0.004 128 HD23 LEU 21 3HD2 LEU 21 -0.937 2.808 0.372 129 H ASN 22 H ASN 22 -1.144 4.254 -4.963 130 HA ASN 22 HA ASN 22 0.618 6.329 -6.008 131 HB2 ASN 22 1HB ASN 22 -2.262 5.600 -6.525 132 HB3 ASN 22 2HB ASN 22 -1.551 7.089 -7.141 133 HD21 ASN 22 1HD2 ASN 22 -0.498 3.707 -6.884 134 HD22 ASN 22 2HD2 ASN 22 -0.032 3.551 -8.540 135 H LEU 23 H LEU 23 1.085 7.857 -4.544 136 HA LEU 23 HA LEU 23 -1.169 9.212 -3.235 137 HB2 LEU 23 1HB LEU 23 1.306 8.106 -2.001 138 HB3 LEU 23 2HB LEU 23 0.627 9.594 -1.348 139 HG LEU 23 HG LEU 23 -1.031 7.107 -1.638 140 HD11 LEU 23 1HD1 LEU 23 0.675 7.888 0.722 141 HD12 LEU 23 2HD1 LEU 23 0.927 6.494 -0.328 142 HD13 LEU 23 3HD1 LEU 23 -0.511 6.582 0.690 143 HD21 LEU 23 1HD2 LEU 23 -2.325 8.159 0.155 144 HD22 LEU 23 2HD2 LEU 23 -2.214 9.202 -1.264 145 HD23 LEU 23 3HD2 LEU 23 -1.213 9.529 0.152 146 H LYS 24 H LYS 24 -1.217 11.279 -3.785 147 HA LYS 24 HA LYS 24 1.326 12.639 -4.389 148 HB2 LYS 24 1HB LYS 24 -0.051 14.067 -5.968 149 HB3 LYS 24 2HB LYS 24 0.226 12.406 -6.474 150 HG2 LYS 24 1HG LYS 24 -1.999 11.780 -5.793 151 HG3 LYS 24 2HG LYS 24 -2.284 13.393 -5.135 152 HD2 LYS 24 1HD LYS 24 -2.336 14.374 -7.262 153 HD3 LYS 24 2HD LYS 24 -1.558 12.982 -8.020 154 HE2 LYS 24 1HE LYS 24 -3.520 11.661 -7.798 155 HE3 LYS 24 2HE LYS 24 -4.280 12.849 -6.740 156 HZ1 LYS 24 1HZ LYS 24 -4.822 14.188 -8.475 157 HZ2 LYS 24 2HZ LYS 24 -4.854 12.705 -9.287 158 HZ3 LYS 24 3HZ LYS 24 -3.504 13.714 -9.424 159 H ILE 25 H ILE 25 1.371 13.313 -2.170 160 HA ILE 25 HA ILE 25 -0.559 15.462 -1.574 161 HB ILE 25 HB ILE 25 0.994 13.965 0.524 162 HG12 ILE 25 1HG1 ILE 25 -1.860 13.372 -0.258 163 HG13 ILE 25 2HG1 ILE 25 -0.497 12.456 -0.893 164 HG21 ILE 25 1HG2 ILE 25 -0.825 16.184 0.498 165 HG22 ILE 25 2HG2 ILE 25 -1.488 14.866 1.463 166 HG23 ILE 25 3HG2 ILE 25 0.107 15.518 1.839 167 HD11 ILE 25 1HD1 ILE 25 -1.563 11.334 0.992 168 HD12 ILE 25 2HD1 ILE 25 0.108 11.771 1.353 169 HD13 ILE 25 3HD1 ILE 25 -1.216 12.728 2.016 170 HA PRO 26 HA PRO 26 3.402 17.663 -2.051 171 HB2 PRO 26 1HB PRO 26 2.238 20.034 -2.679 172 HB3 PRO 26 2HB PRO 26 2.511 18.754 -3.867 173 HG2 PRO 26 1HG PRO 26 0.009 19.458 -2.381 174 HG3 PRO 26 2HG PRO 26 0.213 19.031 -4.090 175 HD2 PRO 26 1HD PRO 26 -0.672 17.262 -2.242 176 HD3 PRO 26 2HD PRO 26 0.298 16.771 -3.646 177 H GLU 27 H GLU 27 0.482 19.011 -0.506 178 HA GLU 27 HA GLU 27 1.606 20.913 1.110 179 HB2 GLU 27 1HB GLU 27 -0.678 19.039 1.739 180 HB3 GLU 27 2HB GLU 27 -0.278 20.457 2.698 181 HG2 GLU 27 1HG GLU 27 -0.899 21.930 1.003 182 HG3 GLU 27 2HG GLU 27 -0.838 20.676 -0.234 183 H ILE 28 H ILE 28 1.686 17.445 1.497 184 HA ILE 28 HA ILE 28 3.035 17.725 4.088 185 HB ILE 28 HB ILE 28 1.982 15.238 2.736 186 HG12 ILE 28 1HG1 ILE 28 0.899 16.562 5.217 187 HG13 ILE 28 2HG1 ILE 28 0.318 16.987 3.610 188 HG21 ILE 28 1HG2 ILE 28 3.981 15.025 4.307 189 HG22 ILE 28 2HG2 ILE 28 2.867 15.488 5.593 190 HG23 ILE 28 3HG2 ILE 28 2.571 14.025 4.654 191 HD11 ILE 28 1HD1 ILE 28 -0.433 14.804 5.279 192 HD12 ILE 28 2HD1 ILE 28 -1.111 15.310 3.731 193 HD13 ILE 28 3HD1 ILE 28 0.245 14.184 3.774 194 H ASN 29 H ASN 29 5.087 16.937 4.454 195 HA ASN 29 HA ASN 29 6.758 16.689 2.100 196 HB2 ASN 29 1HB ASN 29 7.233 17.960 4.373 197 HB3 ASN 29 2HB ASN 29 7.839 16.382 4.868 198 HD21 ASN 29 1HD2 ASN 29 8.157 18.903 2.434 199 HD22 ASN 29 2HD2 ASN 29 9.806 18.570 2.042 200 H SER 30 H SER 30 7.489 14.844 1.269 201 HA SER 30 HA SER 30 6.552 12.352 1.890 202 HB2 SER 30 1HB SER 30 8.472 11.444 0.623 203 HB3 SER 30 2HB SER 30 7.749 12.833 -0.189 204 HG SER 30 HG SER 30 9.786 13.436 -0.215 205 H SER 31 H SER 31 9.114 14.110 3.438 206 HA SER 31 HA SER 31 10.171 11.819 4.836 207 HB2 SER 31 1HB SER 31 10.765 14.742 4.758 208 HB3 SER 31 2HB SER 31 11.279 13.833 6.178 209 HG SER 31 HG SER 31 12.080 12.322 4.334 210 H ASP 32 H ASP 32 8.089 14.574 5.589 211 HA ASP 32 HA ASP 32 7.817 13.984 8.354 212 HB2 ASP 32 1HB ASP 32 6.327 15.722 6.414 213 HB3 ASP 32 2HB ASP 32 5.683 15.452 8.031 214 H MET 33 H MET 33 6.392 12.690 5.509 215 HA MET 33 HA MET 33 3.947 11.765 6.571 216 HB2 MET 33 1HB MET 33 5.643 10.923 4.236 217 HB3 MET 33 2HB MET 33 4.182 10.041 4.658 218 HG2 MET 33 1HG MET 33 2.829 11.980 4.307 219 HG3 MET 33 2HG MET 33 4.256 12.991 4.089 220 HE1 MET 33 1HE MET 33 2.430 9.930 1.300 221 HE2 MET 33 2HE MET 33 3.879 9.287 2.072 222 HE3 MET 33 3HE MET 33 2.537 9.866 3.059 223 H SER 34 H SER 34 3.428 9.380 6.771 224 HA SER 34 HA SER 34 5.559 7.662 7.675 225 HB2 SER 34 1HB SER 34 3.467 8.594 9.656 226 HB3 SER 34 2HB SER 34 4.699 7.368 9.954 227 HG SER 34 HG SER 34 5.001 10.148 9.615 228 H ALA 35 H ALA 35 5.057 5.737 6.890 229 HA ALA 35 HA ALA 35 2.217 4.949 6.793 230 HB1 ALA 35 1HB ALA 35 4.418 4.380 4.820 231 HB2 ALA 35 2HB ALA 35 2.862 3.549 4.812 232 HB3 ALA 35 3HB ALA 35 2.932 5.292 4.552 233 H HIS 36 H HIS 36 1.718 2.764 7.197 234 HA HIS 36 HA HIS 36 3.857 1.021 8.139 235 HB2 HIS 36 1HB HIS 36 1.468 1.676 9.874 236 HB3 HIS 36 2HB HIS 36 2.786 0.578 10.273 237 HD1 HIS 36 1HD HIS 36 1.741 4.045 10.586 238 HD2 HIS 36 2HD HIS 36 5.343 1.976 10.599 239 HE1 HIS 36 1HE HIS 36 3.417 5.620 11.603 240 HE2 HIS 36 2HE HIS 36 5.606 4.377 11.522 241 H VAL 37 H VAL 37 3.518 -1.033 7.564 242 HA VAL 37 HA VAL 37 0.960 -1.710 6.327 243 HB VAL 37 HB VAL 37 3.623 -3.132 6.313 244 HG11 VAL 37 1HG1 VAL 37 1.986 -4.214 4.330 245 HG12 VAL 37 2HG1 VAL 37 2.518 -4.998 5.819 246 HG13 VAL 37 3HG1 VAL 37 0.977 -4.141 5.774 247 HG21 VAL 37 1HG2 VAL 37 2.350 -2.258 3.811 248 HG22 VAL 37 2HG2 VAL 37 2.870 -0.957 4.882 249 HG23 VAL 37 3HG2 VAL 37 4.034 -2.158 4.324 250 H THR 38 H THR 38 -0.439 -2.203 7.960 251 HA THR 38 HA THR 38 0.364 -3.997 10.095 252 HB THR 38 HB THR 38 -2.419 -2.948 9.594 253 HG1 THR 38 1HG THR 38 -0.594 -1.694 11.344 254 HG21 THR 38 1HG2 THR 38 -2.717 -3.287 11.963 255 HG22 THR 38 2HG2 THR 38 -1.021 -3.730 12.153 256 HG23 THR 38 3HG2 THR 38 -2.111 -4.780 11.248 257 H SER 39 H SER 39 0.107 -6.129 10.063 258 HA SER 39 HA SER 39 -1.265 -7.367 7.828 259 HB2 SER 39 1HB SER 39 0.611 -8.300 9.959 260 HB3 SER 39 2HB SER 39 -0.421 -9.492 9.168 261 HG SER 39 HG SER 39 0.463 -8.259 7.172 262 HA PRO 40 HA PRO 40 -4.993 -8.476 9.856 263 HB2 PRO 40 1HB PRO 40 -5.464 -10.958 8.864 264 HB3 PRO 40 2HB PRO 40 -5.637 -9.489 7.897 265 HG2 PRO 40 1HG PRO 40 -3.361 -11.431 8.000 266 HG3 PRO 40 2HG PRO 40 -4.107 -10.655 6.591 267 HD2 PRO 40 1HD PRO 40 -1.782 -9.785 7.671 268 HD3 PRO 40 2HD PRO 40 -2.946 -8.688 6.901 269 H SER 41 H SER 41 -2.115 -10.139 10.478 270 HA SER 41 HA SER 41 -3.301 -11.948 12.435 271 HB2 SER 41 1HB SER 41 -1.058 -12.875 12.668 272 HB3 SER 41 2HB SER 41 -1.484 -12.768 10.960 273 HG SER 41 HG SER 41 -0.048 -11.199 10.678 274 H GLY 42 H GLY 42 -1.763 -8.878 12.261 275 HA2 GLY 42 1HA GLY 42 -2.114 -7.443 14.230 276 HA3 GLY 42 2HA GLY 42 -1.620 -8.814 15.212 277 H ARG 43 H ARG 43 0.148 -8.448 12.326 278 HA ARG 43 HA ARG 43 2.388 -7.298 13.853 279 HB2 ARG 43 1HB ARG 43 2.683 -9.632 13.020 280 HB3 ARG 43 2HB ARG 43 2.522 -9.025 11.377 281 HG2 ARG 43 1HG ARG 43 4.503 -7.577 11.785 282 HG3 ARG 43 2HG ARG 43 4.697 -8.370 13.350 283 HD2 ARG 43 1HD ARG 43 4.559 -9.939 10.795 284 HD3 ARG 43 2HD ARG 43 6.075 -9.246 11.370 285 HE ARG 43 HE ARG 43 6.132 -10.818 13.056 286 HH11 ARG 43 1HH1 ARG 43 3.047 -10.903 11.447 287 HH12 ARG 43 2HH1 ARG 43 2.547 -12.381 12.202 288 HH21 ARG 43 1HH2 ARG 43 5.487 -12.763 14.056 289 HH22 ARG 43 2HH2 ARG 43 3.936 -13.437 13.686 290 H VAL 44 H VAL 44 2.919 -5.288 13.345 291 HA VAL 44 HA VAL 44 2.380 -4.336 10.606 292 HB VAL 44 HB VAL 44 0.942 -3.177 12.160 293 HG11 VAL 44 1HG1 VAL 44 3.392 -2.240 13.636 294 HG12 VAL 44 2HG1 VAL 44 1.701 -2.002 14.079 295 HG13 VAL 44 3HG1 VAL 44 2.415 -3.613 14.156 296 HG21 VAL 44 1HG2 VAL 44 1.773 -1.841 10.346 297 HG22 VAL 44 2HG2 VAL 44 1.717 -0.841 11.798 298 HG23 VAL 44 3HG2 VAL 44 3.258 -1.485 11.230 299 H THR 45 H THR 45 3.958 -3.212 9.539 300 HA THR 45 HA THR 45 6.527 -2.858 10.936 301 HB THR 45 HB THR 45 7.596 -3.381 8.662 302 HG1 THR 45 1HG THR 45 5.498 -3.380 7.560 303 HG21 THR 45 1HG2 THR 45 6.275 -5.464 10.389 304 HG22 THR 45 2HG2 THR 45 7.949 -4.911 10.427 305 HG23 THR 45 3HG2 THR 45 7.373 -5.884 9.074 306 H GLU 46 H GLU 46 8.044 -1.453 9.515 307 HA GLU 46 HA GLU 46 6.565 0.974 8.893 308 HB2 GLU 46 1HB GLU 46 8.531 1.119 10.357 309 HB3 GLU 46 2HB GLU 46 9.542 0.475 9.070 310 HG2 GLU 46 1HG GLU 46 8.546 2.543 7.754 311 HG3 GLU 46 2HG GLU 46 8.362 3.174 9.390 312 H ALA 47 H ALA 47 6.277 1.789 6.906 313 HA ALA 47 HA ALA 47 7.257 0.224 4.642 314 HB1 ALA 47 1HB ALA 47 5.659 1.997 3.465 315 HB2 ALA 47 2HB ALA 47 5.045 0.532 4.234 316 HB3 ALA 47 3HB ALA 47 4.986 2.071 5.094 317 H GLU 48 H GLU 48 8.033 1.365 2.706 318 HA GLU 48 HA GLU 48 9.707 3.662 3.464 319 HB2 GLU 48 1HB GLU 48 11.064 1.816 2.791 320 HB3 GLU 48 2HB GLU 48 10.073 1.523 1.370 321 HG2 GLU 48 1HG GLU 48 10.966 3.303 0.211 322 HG3 GLU 48 2HG GLU 48 11.482 4.133 1.677 323 H ILE 49 H ILE 49 9.617 5.540 2.343 324 HA ILE 49 HA ILE 49 7.557 5.722 0.253 325 HB ILE 49 HB ILE 49 8.723 7.915 1.972 326 HG12 ILE 49 1HG1 ILE 49 5.869 7.009 2.048 327 HG13 ILE 49 2HG1 ILE 49 7.086 6.098 2.933 328 HG21 ILE 49 1HG2 ILE 49 7.732 8.263 -0.496 329 HG22 ILE 49 2HG2 ILE 49 6.237 8.330 0.436 330 HG23 ILE 49 3HG2 ILE 49 7.552 9.450 0.796 331 HD11 ILE 49 1HD1 ILE 49 6.513 9.031 3.280 332 HD12 ILE 49 2HD1 ILE 49 5.952 7.738 4.340 333 HD13 ILE 49 3HD1 ILE 49 7.676 8.077 4.199 334 H VAL 50 H VAL 50 8.640 5.311 -1.617 335 HA VAL 50 HA VAL 50 11.237 6.396 -2.170 336 HB VAL 50 HB VAL 50 9.258 5.083 -4.038 337 HG11 VAL 50 1HG1 VAL 50 10.710 6.227 -5.444 338 HG12 VAL 50 2HG1 VAL 50 12.094 5.984 -4.377 339 HG13 VAL 50 3HG1 VAL 50 11.457 4.634 -5.317 340 HG21 VAL 50 1HG2 VAL 50 11.041 4.037 -2.009 341 HG22 VAL 50 2HG2 VAL 50 9.775 3.220 -2.927 342 HG23 VAL 50 3HG2 VAL 50 11.397 3.373 -3.603 343 HA PRO 51 HA PRO 51 9.758 10.363 -3.526 344 HB2 PRO 51 1HB PRO 51 12.157 11.288 -4.399 345 HB3 PRO 51 2HB PRO 51 11.725 11.204 -2.687 346 HG2 PRO 51 1HG PRO 51 13.380 9.316 -4.318 347 HG3 PRO 51 2HG PRO 51 13.669 9.927 -2.679 348 HD2 PRO 51 1HD PRO 51 12.637 7.469 -3.158 349 HD3 PRO 51 2HD PRO 51 12.203 8.425 -1.726 350 H MET 52 H MET 52 8.477 9.974 -5.298 351 HA MET 52 HA MET 52 9.553 9.005 -7.778 352 HB2 MET 52 1HB MET 52 6.874 9.861 -6.793 353 HB3 MET 52 2HB MET 52 7.149 9.856 -8.530 354 HG2 MET 52 1HG MET 52 7.777 7.459 -6.851 355 HG3 MET 52 2HG MET 52 6.146 7.768 -7.442 356 HE1 MET 52 1HE MET 52 8.537 5.004 -9.451 357 HE2 MET 52 2HE MET 52 9.561 6.028 -8.445 358 HE3 MET 52 3HE MET 52 8.077 5.342 -7.782 359 H GLY 53 H GLY 53 8.350 12.132 -6.592 360 HA2 GLY 53 1HA GLY 53 10.120 13.805 -7.761 361 HA3 GLY 53 2HA GLY 53 9.010 13.455 -9.077 362 H LYS 54 H LYS 54 7.784 15.203 -9.346 363 HA LYS 54 HA LYS 54 7.209 17.203 -7.573 364 HB2 LYS 54 1HB LYS 54 5.861 16.150 -10.002 365 HB3 LYS 54 2HB LYS 54 4.934 17.252 -8.993 366 HG2 LYS 54 1HG LYS 54 6.245 19.037 -9.491 367 HG3 LYS 54 2HG LYS 54 7.695 18.054 -9.706 368 HD2 LYS 54 1HD LYS 54 7.285 18.608 -11.884 369 HD3 LYS 54 2HD LYS 54 6.323 17.133 -11.774 370 HE2 LYS 54 1HE LYS 54 4.819 18.576 -12.745 371 HE3 LYS 54 2HE LYS 54 4.427 18.774 -11.038 372 HZ1 LYS 54 1HZ LYS 54 4.725 20.934 -11.397 373 HZ2 LYS 54 2HZ LYS 54 5.464 20.686 -12.898 374 HZ3 LYS 54 3HZ LYS 54 6.384 20.614 -11.481 375 H ASN 55 H ASN 55 6.726 16.568 -5.500 376 HA ASN 55 HA ASN 55 5.562 15.624 -3.760 377 HB2 ASN 55 1HB ASN 55 3.028 16.180 -4.003 378 HB3 ASN 55 2HB ASN 55 4.191 17.500 -3.912 379 HD21 ASN 55 1HD2 ASN 55 4.425 18.856 -5.607 380 HD22 ASN 55 2HD2 ASN 55 3.491 18.763 -7.057 381 H SER 56 H SER 56 6.234 13.655 -5.588 382 HA SER 56 HA SER 56 3.816 11.977 -5.702 383 HB2 SER 56 1HB SER 56 6.361 11.835 -7.334 384 HB3 SER 56 2HB SER 56 5.054 10.653 -7.422 385 HG SER 56 HG SER 56 4.173 11.957 -8.799 386 H HIS 57 H HIS 57 3.696 10.332 -4.335 387 HA HIS 57 HA HIS 57 6.192 9.309 -3.147 388 HB2 HIS 57 1HB HIS 57 3.497 9.141 -1.815 389 HB3 HIS 57 2HB HIS 57 5.091 8.971 -1.087 390 HD1 HIS 57 1HD HIS 57 6.370 11.142 -0.513 391 HD2 HIS 57 2HD HIS 57 2.600 11.772 -2.140 392 HE1 HIS 57 1HE HIS 57 5.861 13.572 -0.109 393 HE2 HIS 57 2HE HIS 57 3.539 13.909 -1.027 394 H CYS 58 H CYS 58 6.530 7.136 -3.097 395 HA CYS 58 HA CYS 58 4.402 5.408 -4.164 396 HB2 CYS 58 1HB CYS 58 6.209 5.976 -5.858 397 HB3 CYS 58 2HB CYS 58 7.324 5.071 -4.841 398 HG CYS 58 HG CYS 58 6.632 3.450 -6.990 399 H VAL 59 H VAL 59 3.829 4.290 -2.393 400 HA VAL 59 HA VAL 59 5.784 3.415 -0.454 401 HB VAL 59 HB VAL 59 2.828 2.811 -0.624 402 HG11 VAL 59 1HG1 VAL 59 3.119 2.284 1.813 403 HG12 VAL 59 2HG1 VAL 59 3.875 1.137 0.706 404 HG13 VAL 59 3HG1 VAL 59 4.861 2.334 1.546 405 HG21 VAL 59 1HG2 VAL 59 2.481 4.574 0.928 406 HG22 VAL 59 2HG2 VAL 59 4.213 4.787 1.177 407 HG23 VAL 59 3HG2 VAL 59 3.483 5.231 -0.366 408 H ARG 60 H ARG 60 7.009 1.696 -0.840 409 HA ARG 60 HA ARG 60 5.891 -0.523 -2.410 410 HB2 ARG 60 1HB ARG 60 8.651 0.549 -2.033 411 HB3 ARG 60 2HB ARG 60 8.458 -1.166 -2.371 412 HG2 ARG 60 1HG ARG 60 7.277 -0.651 -4.429 413 HG3 ARG 60 2HG ARG 60 7.402 1.075 -4.082 414 HD2 ARG 60 1HD ARG 60 9.096 0.304 -5.698 415 HD3 ARG 60 2HD ARG 60 9.810 0.970 -4.230 416 HE ARG 60 HE ARG 60 9.678 -1.695 -3.730 417 HH11 ARG 60 1HH1 ARG 60 11.011 0.220 -6.314 418 HH12 ARG 60 2HH1 ARG 60 12.276 -0.908 -6.673 419 HH21 ARG 60 1HH2 ARG 60 11.339 -3.188 -4.193 420 HH22 ARG 60 2HH2 ARG 60 12.461 -2.847 -5.466 421 H PHE 61 H PHE 61 5.519 -2.434 -1.481 422 HA PHE 61 HA PHE 61 6.987 -3.294 0.852 423 HB2 PHE 61 1HB PHE 61 5.098 -3.521 2.328 424 HB3 PHE 61 2HB PHE 61 5.166 -1.850 1.779 425 HD1 PHE 61 1HD PHE 61 3.576 -5.097 0.871 426 HD2 PHE 61 2HD PHE 61 3.229 -0.858 1.042 427 HE1 PHE 61 1HE PHE 61 1.243 -5.260 0.105 428 HE2 PHE 61 2HE PHE 61 0.896 -1.015 0.278 429 HZ PHE 61 HZ PHE 61 -0.101 -3.218 -0.191 430 H VAL 62 H VAL 62 6.360 -5.510 1.519 431 HA VAL 62 HA VAL 62 5.361 -7.033 -0.798 432 HB VAL 62 HB VAL 62 7.223 -8.030 1.360 433 HG11 VAL 62 1HG1 VAL 62 6.015 -9.839 0.395 434 HG12 VAL 62 2HG1 VAL 62 6.259 -9.212 -1.237 435 HG13 VAL 62 3HG1 VAL 62 7.626 -9.849 -0.321 436 HG21 VAL 62 1HG2 VAL 62 7.890 -6.202 -0.546 437 HG22 VAL 62 2HG2 VAL 62 9.014 -7.343 0.193 438 HG23 VAL 62 3HG2 VAL 62 8.268 -7.721 -1.360 439 HA PRO 63 HA PRO 63 2.068 -7.875 2.182 440 HB2 PRO 63 1HB PRO 63 0.340 -8.836 0.322 441 HB3 PRO 63 2HB PRO 63 0.583 -7.108 0.605 442 HG2 PRO 63 1HG PRO 63 1.743 -8.860 -1.528 443 HG3 PRO 63 2HG PRO 63 1.079 -7.221 -1.664 444 HD2 PRO 63 1HD PRO 63 3.740 -7.711 -1.556 445 HD3 PRO 63 2HD PRO 63 3.012 -6.238 -0.883 446 H GLN 64 H GLN 64 0.554 -9.937 2.263 447 HA GLN 64 HA GLN 64 2.321 -12.276 1.990 448 HB2 GLN 64 1HB GLN 64 0.196 -11.605 4.016 449 HB3 GLN 64 2HB GLN 64 0.802 -13.243 3.810 450 HG2 GLN 64 1HG GLN 64 2.410 -10.822 4.590 451 HG3 GLN 64 2HG GLN 64 1.934 -12.156 5.639 452 HE21 GLN 64 1HE2 GLN 64 3.954 -11.207 2.951 453 HE22 GLN 64 2HE2 GLN 64 5.065 -12.524 3.068 454 H GLU 65 H GLU 65 0.979 -14.394 1.945 455 HA GLU 65 HA GLU 65 -0.731 -14.222 -0.373 456 HB2 GLU 65 1HB GLU 65 -0.776 -16.716 -0.184 457 HB3 GLU 65 2HB GLU 65 0.838 -16.031 -0.319 458 HG2 GLU 65 1HG GLU 65 -0.251 -16.526 2.398 459 HG3 GLU 65 2HG GLU 65 0.264 -17.910 1.435 460 H MET 66 H MET 66 -2.890 -14.292 -0.420 461 HA MET 66 HA MET 66 -5.033 -14.138 0.352 462 HB2 MET 66 1HB MET 66 -4.140 -16.558 1.929 463 HB3 MET 66 2HB MET 66 -5.809 -16.100 1.617 464 HG2 MET 66 1HG MET 66 -5.544 -17.634 -0.024 465 HG3 MET 66 2HG MET 66 -4.990 -16.204 -0.891 466 HE1 MET 66 1HE MET 66 -1.666 -16.932 -2.040 467 HE2 MET 66 2HE MET 66 -3.161 -17.552 -2.743 468 HE3 MET 66 3HE MET 66 -3.130 -15.948 -2.008 469 H GLY 67 H GLY 67 -3.195 -12.481 1.749 470 HA2 GLY 67 1HA GLY 67 -4.417 -12.489 4.441 471 HA3 GLY 67 2HA GLY 67 -2.754 -11.999 4.150 472 H VAL 68 H VAL 68 -5.509 -10.732 5.034 473 HA VAL 68 HA VAL 68 -5.584 -8.462 3.209 474 HB VAL 68 HB VAL 68 -7.270 -9.057 5.645 475 HG11 VAL 68 1HG1 VAL 68 -8.703 -7.258 4.912 476 HG12 VAL 68 2HG1 VAL 68 -7.062 -6.646 5.129 477 HG13 VAL 68 3HG1 VAL 68 -7.677 -6.969 3.508 478 HG21 VAL 68 1HG2 VAL 68 -8.098 -10.607 4.223 479 HG22 VAL 68 2HG2 VAL 68 -8.961 -9.218 3.562 480 HG23 VAL 68 3HG2 VAL 68 -7.479 -9.783 2.791 481 H HIS 69 H HIS 69 -4.165 -6.882 3.519 482 HA HIS 69 HA HIS 69 -3.315 -6.247 6.260 483 HB2 HIS 69 1HB HIS 69 -2.005 -5.316 3.705 484 HB3 HIS 69 2HB HIS 69 -1.335 -5.285 5.334 485 HD1 HIS 69 1HD HIS 69 -2.787 -8.092 3.198 486 HD2 HIS 69 2HD HIS 69 0.569 -7.184 5.473 487 HE1 HIS 69 1HE HIS 69 -1.336 -10.144 3.105 488 HE2 HIS 69 2HE HIS 69 0.648 -9.602 4.558 489 H THR 70 H THR 70 -2.756 -3.856 6.562 490 HA THR 70 HA THR 70 -4.639 -2.102 5.157 491 HB THR 70 HB THR 70 -4.394 -2.044 8.163 492 HG1 THR 70 1HG THR 70 -6.679 -2.943 7.848 493 HG21 THR 70 1HG2 THR 70 -6.050 -0.445 8.137 494 HG22 THR 70 2HG2 THR 70 -6.700 -0.990 6.591 495 HG23 THR 70 3HG2 THR 70 -5.204 -0.058 6.640 496 H VAL 71 H VAL 71 -3.698 -0.268 4.548 497 HA VAL 71 HA VAL 71 -1.047 0.373 5.555 498 HB VAL 71 HB VAL 71 -2.644 1.730 3.378 499 HG11 VAL 71 1HG1 VAL 71 -1.071 3.307 3.899 500 HG12 VAL 71 2HG1 VAL 71 0.093 2.116 4.481 501 HG13 VAL 71 3HG1 VAL 71 -0.156 2.333 2.748 502 HG21 VAL 71 1HG2 VAL 71 -0.588 0.411 2.155 503 HG22 VAL 71 2HG2 VAL 71 -1.050 -0.724 3.423 504 HG23 VAL 71 3HG2 VAL 71 -2.250 -0.171 2.255 505 H SER 72 H SER 72 -1.015 1.463 7.421 506 HA SER 72 HA SER 72 -3.043 3.485 7.970 507 HB2 SER 72 1HB SER 72 -0.827 2.360 9.698 508 HB3 SER 72 2HB SER 72 -2.008 3.555 10.233 509 HG SER 72 HG SER 72 -3.561 1.817 9.397 510 H VAL 73 H VAL 73 -2.629 5.358 6.957 511 HA VAL 73 HA VAL 73 0.110 6.429 7.054 512 HB VAL 73 HB VAL 73 -2.188 7.219 5.257 513 HG11 VAL 73 1HG1 VAL 73 -1.003 8.976 4.524 514 HG12 VAL 73 2HG1 VAL 73 -0.120 8.816 6.045 515 HG13 VAL 73 3HG1 VAL 73 0.521 8.090 4.571 516 HG21 VAL 73 1HG2 VAL 73 -1.435 5.773 3.726 517 HG22 VAL 73 2HG2 VAL 73 0.252 6.179 4.039 518 HG23 VAL 73 3HG2 VAL 73 -0.577 5.006 5.062 519 H LYS 74 H LYS 74 0.224 7.490 8.972 520 HA LYS 74 HA LYS 74 -1.861 9.480 9.562 521 HB2 LYS 74 1HB LYS 74 -0.077 7.810 11.259 522 HB3 LYS 74 2HB LYS 74 -0.478 9.418 11.849 523 HG2 LYS 74 1HG LYS 74 -2.927 8.686 11.306 524 HG3 LYS 74 2HG LYS 74 -2.247 7.061 11.415 525 HD2 LYS 74 1HD LYS 74 -1.826 7.239 13.655 526 HD3 LYS 74 2HD LYS 74 -1.597 8.988 13.583 527 HE2 LYS 74 1HE LYS 74 -3.929 9.381 13.502 528 HE3 LYS 74 2HE LYS 74 -4.278 7.682 13.187 529 HZ1 LYS 74 1HZ LYS 74 -4.769 8.167 15.460 530 HZ2 LYS 74 2HZ LYS 74 -3.240 8.844 15.714 531 HZ3 LYS 74 3HZ LYS 74 -3.393 7.184 15.424 532 H TYR 75 H TYR 75 -1.247 11.583 10.239 533 HA TYR 75 HA TYR 75 1.538 12.348 9.740 534 HB2 TYR 75 1HB TYR 75 0.539 12.847 7.643 535 HB3 TYR 75 2HB TYR 75 -0.896 13.526 8.404 536 HD1 TYR 75 1HD TYR 75 2.650 14.117 7.611 537 HD2 TYR 75 2HD TYR 75 -0.929 15.796 9.185 538 HE1 TYR 75 1HE TYR 75 3.652 16.359 7.483 539 HE2 TYR 75 2HE TYR 75 0.063 18.043 9.059 540 HH TYR 75 HH TYR 75 3.085 18.631 7.452 541 H ARG 76 H ARG 76 2.179 13.194 11.606 542 HA ARG 76 HA ARG 76 2.251 14.434 13.512 543 HB2 ARG 76 1HB ARG 76 0.617 16.074 11.645 544 HB3 ARG 76 2HB ARG 76 0.624 16.546 13.338 545 HG2 ARG 76 1HG ARG 76 3.239 16.296 13.019 546 HG3 ARG 76 2HG ARG 76 2.809 16.614 11.337 547 HD2 ARG 76 1HD ARG 76 3.194 18.740 12.175 548 HD3 ARG 76 2HD ARG 76 1.443 18.582 12.306 549 HE ARG 76 HE ARG 76 2.719 17.742 14.696 550 HH11 ARG 76 1HH1 ARG 76 1.829 20.583 12.891 551 HH12 ARG 76 2HH1 ARG 76 1.724 21.599 14.291 552 HH21 ARG 76 1HH2 ARG 76 2.584 19.069 16.546 553 HH22 ARG 76 2HH2 ARG 76 2.155 20.736 16.370 554 H GLY 77 H GLY 77 0.252 12.270 13.230 555 HA2 GLY 77 1HA GLY 77 -1.157 11.337 14.840 556 HA3 GLY 77 2HA GLY 77 -1.264 12.908 15.621 557 H GLN 78 H GLN 78 -1.929 12.166 12.232 558 HA GLN 78 HA GLN 78 -4.792 12.338 12.658 559 HB2 GLN 78 1HB GLN 78 -5.206 14.327 11.599 560 HB3 GLN 78 2HB GLN 78 -3.655 14.706 12.335 561 HG2 GLN 78 1HG GLN 78 -2.643 13.900 10.115 562 HG3 GLN 78 2HG GLN 78 -4.277 14.078 9.478 563 HE21 GLN 78 1HE2 GLN 78 -3.410 15.683 8.067 564 HE22 GLN 78 2HE2 GLN 78 -3.141 17.292 8.636 565 H HIS 79 H HIS 79 -5.789 10.975 11.328 566 HA HIS 79 HA HIS 79 -4.323 9.553 9.330 567 HB2 HIS 79 1HB HIS 79 -7.107 9.469 10.404 568 HB3 HIS 79 2HB HIS 79 -6.788 8.702 8.851 569 HD1 HIS 79 1HD HIS 79 -4.427 7.092 9.093 570 HD2 HIS 79 2HD HIS 79 -6.886 7.669 12.392 571 HE1 HIS 79 1HE HIS 79 -3.909 5.193 10.659 572 HE2 HIS 79 2HE HIS 79 -5.469 5.516 12.609 573 H VAL 80 H VAL 80 -4.021 10.113 7.285 574 HA VAL 80 HA VAL 80 -5.039 12.461 6.142 575 HB VAL 80 HB VAL 80 -4.154 11.602 3.996 576 HG11 VAL 80 1HG1 VAL 80 -1.781 11.310 4.795 577 HG12 VAL 80 2HG1 VAL 80 -2.611 12.752 5.382 578 HG13 VAL 80 3HG1 VAL 80 -2.415 11.353 6.440 579 HG21 VAL 80 1HG2 VAL 80 -3.254 9.150 5.471 580 HG22 VAL 80 2HG2 VAL 80 -4.787 9.189 4.600 581 HG23 VAL 80 3HG2 VAL 80 -3.273 9.452 3.734 582 H THR 81 H THR 81 -6.163 12.389 3.905 583 HA THR 81 HA THR 81 -8.793 11.425 4.304 584 HB THR 81 HB THR 81 -7.526 12.422 1.745 585 HG1 THR 81 1HG THR 81 -9.116 13.842 3.636 586 HG21 THR 81 1HG2 THR 81 -10.115 11.327 2.296 587 HG22 THR 81 2HG2 THR 81 -9.470 11.936 0.772 588 HG23 THR 81 3HG2 THR 81 -10.276 13.035 1.891 589 H GLY 82 H GLY 82 -9.499 9.412 4.071 590 HA2 GLY 82 1HA GLY 82 -9.973 7.551 2.628 591 HA3 GLY 82 2HA GLY 82 -8.401 7.783 1.878 592 H SER 83 H SER 83 -6.777 7.952 4.118 593 HA SER 83 HA SER 83 -6.441 5.205 4.741 594 HB2 SER 83 1HB SER 83 -4.497 5.855 5.912 595 HB3 SER 83 2HB SER 83 -4.643 7.040 4.614 596 HG SER 83 HG SER 83 -4.537 7.487 7.216 597 HA PRO 84 HA PRO 84 -5.283 4.115 6.469 598 HB2 PRO 84 1HB PRO 84 -6.228 1.757 7.427 599 HB3 PRO 84 2HB PRO 84 -5.400 2.944 8.442 600 HG2 PRO 84 1HG PRO 84 -8.334 2.443 8.123 601 HG3 PRO 84 2HG PRO 84 -7.405 2.746 9.603 602 HD2 PRO 84 1HD PRO 84 -8.866 4.670 8.380 603 HD3 PRO 84 2HD PRO 84 -7.367 5.025 9.262 604 H PHE 85 H PHE 85 -5.007 2.844 4.683 605 HA PHE 85 HA PHE 85 -7.408 2.327 3.085 606 HB2 PHE 85 1HB PHE 85 -4.488 2.400 2.295 607 HB3 PHE 85 2HB PHE 85 -5.822 2.085 1.189 608 HD1 PHE 85 2HD PHE 85 -7.477 3.878 0.720 609 HD2 PHE 85 1HD PHE 85 -3.920 4.596 2.945 610 HE1 PHE 85 2HE PHE 85 -7.727 6.294 0.334 611 HE2 PHE 85 1HE PHE 85 -4.165 7.014 2.563 612 HZ PHE 85 HZ PHE 85 -6.070 7.866 1.255 613 H GLN 86 H GLN 86 -8.226 0.351 3.203 614 HA GLN 86 HA GLN 86 -6.518 -1.896 3.932 615 HB2 GLN 86 1HB GLN 86 -8.903 -1.333 4.874 616 HB3 GLN 86 2HB GLN 86 -9.455 -2.151 3.418 617 HG2 GLN 86 1HG GLN 86 -7.820 -4.027 4.204 618 HG3 GLN 86 2HG GLN 86 -8.004 -3.248 5.775 619 HE21 GLN 86 1HE2 GLN 86 -9.886 -3.467 6.885 620 HE22 GLN 86 2HE2 GLN 86 -11.192 -4.475 6.372 621 H PHE 87 H PHE 87 -6.244 -3.731 2.679 622 HA PHE 87 HA PHE 87 -7.458 -3.889 0.054 623 HB2 PHE 87 1HB PHE 87 -5.393 -3.897 -1.191 624 HB3 PHE 87 2HB PHE 87 -5.470 -2.408 -0.255 625 HD1 PHE 87 2HD PHE 87 -4.062 -5.847 -0.171 626 HD2 PHE 87 1HD PHE 87 -3.702 -1.805 1.113 627 HE1 PHE 87 2HE PHE 87 -1.865 -6.358 0.811 628 HE2 PHE 87 1HE PHE 87 -1.504 -2.309 2.096 629 HZ PHE 87 HZ PHE 87 -0.583 -4.589 1.947 630 H THR 88 H THR 88 -7.412 -5.946 -0.825 631 HA THR 88 HA THR 88 -6.428 -8.040 0.992 632 HB THR 88 HB THR 88 -8.520 -8.312 -1.173 633 HG1 THR 88 1HG THR 88 -9.711 -7.300 0.264 634 HG21 THR 88 1HG2 THR 88 -8.443 -10.503 -0.774 635 HG22 THR 88 2HG2 THR 88 -8.680 -10.229 0.952 636 HG23 THR 88 3HG2 THR 88 -7.052 -10.234 0.274 637 H VAL 89 H VAL 89 -5.080 -9.626 0.284 638 HA VAL 89 HA VAL 89 -3.943 -9.261 -2.397 639 HB VAL 89 HB VAL 89 -2.853 -10.645 0.053 640 HG11 VAL 89 1HG1 VAL 89 -2.014 -11.995 -1.627 641 HG12 VAL 89 2HG1 VAL 89 -1.925 -10.672 -2.790 642 HG13 VAL 89 3HG1 VAL 89 -0.755 -10.770 -1.474 643 HG21 VAL 89 1HG2 VAL 89 -2.728 -7.976 -0.892 644 HG22 VAL 89 2HG2 VAL 89 -1.918 -8.682 0.506 645 HG23 VAL 89 3HG2 VAL 89 -1.122 -8.684 -1.067 646 H GLY 90 H GLY 90 -3.653 -10.995 -3.813 647 HA2 GLY 90 1HA GLY 90 -5.233 -13.404 -3.146 648 HA3 GLY 90 2HA GLY 90 -5.227 -12.675 -4.745 649 HA PRO 91 HA PRO 91 -2.184 -16.125 -4.862 650 HB2 PRO 91 1HB PRO 91 -2.850 -16.913 -7.373 651 HB3 PRO 91 2HB PRO 91 -3.714 -17.464 -5.933 652 HG2 PRO 91 1HG PRO 91 -4.447 -15.302 -7.869 653 HG3 PRO 91 2HG PRO 91 -5.478 -16.545 -7.136 654 HD2 PRO 91 1HD PRO 91 -5.405 -13.993 -6.233 655 HD3 PRO 91 2HD PRO 91 -5.694 -15.378 -5.160 656 H LEU 92 H LEU 92 -0.163 -16.000 -5.688 657 HA LEU 92 HA LEU 92 0.864 -13.678 -6.751 658 HB2 LEU 92 1HB LEU 92 2.831 -15.001 -7.391 659 HB3 LEU 92 2HB LEU 92 2.274 -15.357 -5.757 660 HG LEU 92 HG LEU 92 1.439 -17.112 -8.031 661 HD11 LEU 92 1HD1 LEU 92 4.002 -16.681 -7.928 662 HD12 LEU 92 2HD1 LEU 92 3.394 -18.332 -8.047 663 HD13 LEU 92 3HD1 LEU 92 3.929 -17.699 -6.490 664 HD21 LEU 92 1HD2 LEU 92 1.353 -17.129 -5.120 665 HD22 LEU 92 2HD2 LEU 92 2.000 -18.622 -5.801 666 HD23 LEU 92 3HD2 LEU 92 0.404 -18.048 -6.288 667 H GLY 93 H GLY 93 -0.920 -16.130 -8.348 668 HA2 GLY 93 1HA GLY 93 -1.081 -14.638 -10.756 669 HA3 GLY 93 2HA GLY 93 0.019 -15.994 -10.960 670 H GLU 94 H GLU 94 -2.505 -15.533 -12.300 671 HA GLU 94 HA GLU 94 -3.920 -17.957 -11.412 672 HB2 GLU 94 1HB GLU 94 -5.066 -15.639 -11.021 673 HB3 GLU 94 2HB GLU 94 -5.382 -15.708 -12.749 674 HG2 GLU 94 1HG GLU 94 -7.305 -16.593 -11.829 675 HG3 GLU 94 2HG GLU 94 -6.376 -18.028 -12.260 676 H GLY 95 H GLY 95 -2.071 -18.482 -13.141 677 HA2 GLY 95 1HA GLY 95 -3.520 -19.139 -15.556 678 HA3 GLY 95 2HA GLY 95 -2.186 -18.022 -15.800 679 H GLY 96 H GLY 96 -2.188 -20.445 -17.077 680 HA2 GLY 96 1HA GLY 96 -0.271 -22.069 -15.531 681 HA3 GLY 96 2HA GLY 96 -1.271 -22.678 -16.842 682 H SER 97 H SER 97 1.221 -23.361 -17.108 683 HA SER 97 HA SER 97 2.480 -21.373 -18.877 684 HB2 SER 97 1HB SER 97 4.589 -22.316 -18.375 685 HB3 SER 97 2HB SER 97 3.742 -22.271 -16.828 686 HG SER 97 HG SER 97 4.087 -24.332 -16.751 687 H GLY 98 H GLY 98 3.432 -22.101 -20.857 688 HA2 GLY 98 1HA GLY 98 2.175 -24.572 -21.883 689 HA3 GLY 98 2HA GLY 98 2.394 -23.123 -22.853 690 HA PRO 99 HA PRO 99 5.917 -26.019 -23.715 691 HB2 PRO 99 1HB PRO 99 5.754 -25.794 -26.416 692 HB3 PRO 99 2HB PRO 99 4.811 -26.968 -25.492 693 HG2 PRO 99 1HG PRO 99 3.983 -24.301 -26.570 694 HG3 PRO 99 2HG PRO 99 3.095 -25.836 -26.580 695 HD2 PRO 99 1HD PRO 99 2.592 -23.874 -24.783 696 HD3 PRO 99 2HD PRO 99 2.405 -25.596 -24.394 697 H SER 100 H SER 100 7.313 -24.423 -22.834 698 HA SER 100 HA SER 100 8.081 -22.227 -24.615 699 HB2 SER 100 1HB SER 100 7.544 -21.884 -22.123 700 HB3 SER 100 2HB SER 100 9.100 -22.652 -21.810 701 HG SER 100 HG SER 100 9.201 -20.672 -23.705 702 H SER 101 H SER 101 9.447 -23.050 -26.113 703 HA SER 101 HA SER 101 11.514 -24.934 -25.398 704 HB2 SER 101 1HB SER 101 11.092 -23.481 -28.020 705 HB3 SER 101 2HB SER 101 12.094 -24.909 -27.757 706 HG SER 101 HG SER 101 10.376 -26.106 -27.895 707 H GLY 102 H GLY 102 11.537 -21.667 -26.846 708 HA2 GLY 102 1HA GLY 102 13.186 -20.278 -25.297 709 HA3 GLY 102 2HA GLY 102 14.333 -21.356 -26.077 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -28.718 -0.713 14.428 2 HA2 GLY 1 1HA GLY 1 -28.899 -2.937 16.360 3 HA3 GLY 1 2HA GLY 1 -29.708 -2.903 14.801 4 H SER 2 H SER 2 -28.862 -4.576 13.717 5 HA SER 2 HA SER 2 -26.109 -5.333 13.947 6 HB2 SER 2 1HB SER 2 -28.337 -6.248 12.121 7 HB3 SER 2 2HB SER 2 -26.710 -6.928 12.071 8 HG SER 2 HG SER 2 -27.960 -6.797 14.555 9 H SER 3 H SER 3 -24.891 -3.557 13.297 10 HA SER 3 HA SER 3 -25.216 -1.987 11.054 11 HB2 SER 3 1HB SER 3 -22.771 -2.845 12.579 12 HB3 SER 3 2HB SER 3 -22.626 -1.815 11.155 13 HG SER 3 HG SER 3 -24.210 -1.251 13.444 14 H GLY 4 H GLY 4 -23.437 -5.051 11.334 15 HA2 GLY 4 1HA GLY 4 -23.546 -6.666 9.544 16 HA3 GLY 4 2HA GLY 4 -23.669 -5.330 8.409 17 H SER 5 H SER 5 -21.847 -7.381 8.044 18 HA SER 5 HA SER 5 -19.411 -5.894 7.855 19 HB2 SER 5 1HB SER 5 -19.651 -8.113 9.875 20 HB3 SER 5 2HB SER 5 -18.101 -7.727 9.127 21 HG SER 5 HG SER 5 -18.046 -6.367 10.758 22 H SER 6 H SER 6 -18.508 -6.464 5.997 23 HA SER 6 HA SER 6 -18.464 -9.245 5.158 24 HB2 SER 6 1HB SER 6 -19.316 -8.526 2.843 25 HB3 SER 6 2HB SER 6 -20.514 -8.685 4.127 26 HG SER 6 HG SER 6 -19.278 -6.205 3.636 27 H GLY 7 H GLY 7 -17.360 -9.297 2.845 28 HA2 GLY 7 1HA GLY 7 -15.477 -7.184 2.341 29 HA3 GLY 7 2HA GLY 7 -14.736 -8.589 3.094 30 H ARG 8 H ARG 8 -17.013 -7.873 0.441 31 HA ARG 8 HA ARG 8 -15.839 -10.076 -1.088 32 HB2 ARG 8 1HB ARG 8 -18.415 -8.565 -1.227 33 HB3 ARG 8 2HB ARG 8 -17.814 -9.360 -2.676 34 HG2 ARG 8 1HG ARG 8 -19.167 -10.984 -1.791 35 HG3 ARG 8 2HG ARG 8 -17.601 -11.433 -1.114 36 HD2 ARG 8 1HD ARG 8 -19.169 -11.550 0.660 37 HD3 ARG 8 2HD ARG 8 -18.218 -10.089 0.921 38 HE ARG 8 HE ARG 8 -20.370 -9.207 -0.473 39 HH11 ARG 8 1HH1 ARG 8 -19.980 -11.082 2.434 40 HH12 ARG 8 2HH1 ARG 8 -21.452 -10.516 3.153 41 HH21 ARG 8 1HH2 ARG 8 -22.310 -8.454 0.462 42 HH22 ARG 8 2HH2 ARG 8 -22.776 -9.021 2.030 43 H ALA 9 H ALA 9 -14.036 -8.132 -0.919 44 HA ALA 9 HA ALA 9 -14.282 -6.469 -3.322 45 HB1 ALA 9 1HB ALA 9 -11.893 -6.159 -1.641 46 HB2 ALA 9 2HB ALA 9 -12.973 -4.941 -2.319 47 HB3 ALA 9 3HB ALA 9 -13.423 -5.795 -0.844 48 HA PRO 10 HA PRO 10 -11.567 -9.036 -5.646 49 HB2 PRO 10 1HB PRO 10 -10.604 -7.196 -7.394 50 HB3 PRO 10 2HB PRO 10 -12.248 -7.839 -7.485 51 HG2 PRO 10 1HG PRO 10 -11.287 -5.254 -6.321 52 HG3 PRO 10 2HG PRO 10 -12.710 -5.565 -7.332 53 HD2 PRO 10 1HD PRO 10 -12.867 -5.280 -4.644 54 HD3 PRO 10 2HD PRO 10 -13.957 -6.343 -5.557 55 H SER 11 H SER 11 -9.227 -8.803 -6.653 56 HA SER 11 HA SER 11 -7.486 -8.055 -4.421 57 HB2 SER 11 1HB SER 11 -6.849 -9.725 -6.864 58 HB3 SER 11 2HB SER 11 -5.821 -9.508 -5.448 59 HG SER 11 HG SER 11 -8.434 -10.514 -5.168 60 H VAL 12 H VAL 12 -6.608 -6.103 -4.520 61 HA VAL 12 HA VAL 12 -6.092 -4.873 -7.125 62 HB VAL 12 HB VAL 12 -5.558 -2.833 -5.667 63 HG11 VAL 12 1HG1 VAL 12 -7.532 -2.409 -6.635 64 HG12 VAL 12 2HG1 VAL 12 -8.129 -4.046 -6.350 65 HG13 VAL 12 3HG1 VAL 12 -8.226 -2.835 -5.071 66 HG21 VAL 12 1HG2 VAL 12 -6.448 -2.809 -3.431 67 HG22 VAL 12 2HG2 VAL 12 -7.025 -4.467 -3.599 68 HG23 VAL 12 3HG2 VAL 12 -5.293 -4.135 -3.570 69 H ALA 13 H ALA 13 -4.468 -6.486 -4.618 70 HA ALA 13 HA ALA 13 -1.878 -5.564 -5.677 71 HB1 ALA 13 1HB ALA 13 -0.902 -5.577 -3.536 72 HB2 ALA 13 2HB ALA 13 -2.443 -4.740 -3.343 73 HB3 ALA 13 3HB ALA 13 -2.280 -6.417 -2.824 74 H THR 14 H THR 14 -0.186 -7.118 -5.703 75 HA THR 14 HA THR 14 -1.179 -9.854 -5.978 76 HB THR 14 HB THR 14 1.532 -8.774 -6.765 77 HG1 THR 14 1HG THR 14 -0.516 -7.914 -7.834 78 HG21 THR 14 1HG2 THR 14 0.060 -11.341 -7.303 79 HG22 THR 14 2HG2 THR 14 1.676 -11.118 -6.631 80 HG23 THR 14 3HG2 THR 14 1.376 -10.786 -8.337 81 H VAL 15 H VAL 15 0.304 -11.631 -5.277 82 HA VAL 15 HA VAL 15 1.245 -11.069 -2.562 83 HB VAL 15 HB VAL 15 -0.314 -12.877 -2.650 84 HG11 VAL 15 1HG1 VAL 15 1.463 -14.051 -4.783 85 HG12 VAL 15 2HG1 VAL 15 0.125 -14.906 -4.013 86 HG13 VAL 15 3HG1 VAL 15 -0.188 -13.463 -4.978 87 HG21 VAL 15 1HG2 VAL 15 1.493 -13.208 -1.089 88 HG22 VAL 15 2HG2 VAL 15 1.059 -14.760 -1.805 89 HG23 VAL 15 3HG2 VAL 15 2.504 -13.910 -2.352 90 H GLY 16 H GLY 16 3.335 -11.149 -1.997 91 HA2 GLY 16 1HA GLY 16 5.582 -11.737 -2.076 92 HA3 GLY 16 2HA GLY 16 5.257 -12.674 -3.527 93 H SER 17 H SER 17 4.030 -10.540 -5.004 94 HA SER 17 HA SER 17 6.402 -9.329 -6.047 95 HB2 SER 17 1HB SER 17 4.161 -10.040 -7.251 96 HB3 SER 17 2HB SER 17 3.672 -8.396 -6.842 97 HG SER 17 HG SER 17 5.702 -9.281 -8.561 98 H ILE 18 H ILE 18 6.921 -7.125 -6.143 99 HA ILE 18 HA ILE 18 6.582 -5.664 -3.794 100 HB ILE 18 HB ILE 18 7.245 -4.507 -6.502 101 HG12 ILE 18 1HG1 ILE 18 8.751 -6.329 -6.153 102 HG13 ILE 18 2HG1 ILE 18 9.630 -4.859 -5.744 103 HG21 ILE 18 1HG2 ILE 18 8.067 -2.655 -5.425 104 HG22 ILE 18 2HG2 ILE 18 6.710 -3.067 -4.379 105 HG23 ILE 18 3HG2 ILE 18 8.349 -3.522 -3.916 106 HD11 ILE 18 1HD1 ILE 18 8.679 -7.055 -3.990 107 HD12 ILE 18 2HD1 ILE 18 10.219 -6.195 -3.999 108 HD13 ILE 18 3HD1 ILE 18 8.783 -5.426 -3.323 109 H CYS 19 H CYS 19 4.921 -4.552 -3.025 110 HA CYS 19 HA CYS 19 2.749 -3.808 -4.844 111 HB2 CYS 19 1HB CYS 19 2.167 -5.173 -2.872 112 HB3 CYS 19 2HB CYS 19 2.792 -3.908 -1.821 113 HG CYS 19 HG CYS 19 0.656 -2.427 -3.724 114 H ASP 20 H ASP 20 2.991 -1.834 -5.672 115 HA ASP 20 HA ASP 20 4.163 0.290 -4.040 116 HB2 ASP 20 1HB ASP 20 4.253 1.572 -6.145 117 HB3 ASP 20 2HB ASP 20 5.064 0.015 -6.293 118 H LEU 21 H LEU 21 3.100 2.169 -3.510 119 HA LEU 21 HA LEU 21 0.202 2.203 -4.049 120 HB2 LEU 21 1HB LEU 21 0.986 1.730 -1.668 121 HB3 LEU 21 2HB LEU 21 1.512 3.412 -1.630 122 HG LEU 21 HG LEU 21 -0.963 3.910 -2.288 123 HD11 LEU 21 1HD1 LEU 21 -1.011 1.068 -1.918 124 HD12 LEU 21 2HD1 LEU 21 -2.301 2.150 -2.444 125 HD13 LEU 21 3HD1 LEU 21 -2.048 1.851 -0.725 126 HD21 LEU 21 1HD2 LEU 21 -0.559 2.925 0.511 127 HD22 LEU 21 2HD2 LEU 21 -1.426 4.352 -0.057 128 HD23 LEU 21 3HD2 LEU 21 0.337 4.319 -0.092 129 H ASN 22 H ASN 22 -0.247 3.754 -5.462 130 HA ASN 22 HA ASN 22 1.444 6.083 -5.729 131 HB2 ASN 22 1HB ASN 22 -1.133 5.410 -7.166 132 HB3 ASN 22 2HB ASN 22 0.027 6.652 -7.629 133 HD21 ASN 22 1HD2 ASN 22 2.288 5.819 -7.988 134 HD22 ASN 22 2HD2 ASN 22 2.436 4.328 -8.849 135 H LEU 23 H LEU 23 1.175 7.899 -4.627 136 HA LEU 23 HA LEU 23 -1.530 8.606 -3.705 137 HB2 LEU 23 1HB LEU 23 1.056 8.588 -2.208 138 HB3 LEU 23 2HB LEU 23 -0.204 9.740 -1.771 139 HG LEU 23 HG LEU 23 -0.839 6.821 -1.914 140 HD11 LEU 23 1HD1 LEU 23 0.437 8.219 0.432 141 HD12 LEU 23 2HD1 LEU 23 1.175 6.954 -0.549 142 HD13 LEU 23 3HD1 LEU 23 -0.238 6.590 0.442 143 HD21 LEU 23 1HD2 LEU 23 -2.788 7.923 -1.512 144 HD22 LEU 23 2HD2 LEU 23 -1.989 9.284 -0.724 145 HD23 LEU 23 3HD2 LEU 23 -2.215 7.767 0.148 146 H LYS 24 H LYS 24 -2.189 10.591 -4.233 147 HA LYS 24 HA LYS 24 -0.172 12.494 -5.231 148 HB2 LYS 24 1HB LYS 24 -1.408 12.135 -7.125 149 HB3 LYS 24 2HB LYS 24 -2.865 11.727 -6.227 150 HG2 LYS 24 1HG LYS 24 -3.549 13.894 -6.075 151 HG3 LYS 24 2HG LYS 24 -1.904 14.533 -6.111 152 HD2 LYS 24 1HD LYS 24 -3.078 13.196 -8.522 153 HD3 LYS 24 2HD LYS 24 -3.435 14.888 -8.168 154 HE2 LYS 24 1HE LYS 24 -1.178 15.514 -8.368 155 HE3 LYS 24 2HE LYS 24 -0.620 13.844 -8.269 156 HZ1 LYS 24 1HZ LYS 24 -0.784 13.641 -10.455 157 HZ2 LYS 24 2HZ LYS 24 -1.118 15.296 -10.558 158 HZ3 LYS 24 3HZ LYS 24 -2.387 14.181 -10.460 159 H ILE 25 H ILE 25 0.171 13.557 -3.288 160 HA ILE 25 HA ILE 25 -1.939 15.415 -2.538 161 HB ILE 25 HB ILE 25 -0.547 13.981 -0.308 162 HG12 ILE 25 1HG1 ILE 25 -3.034 13.079 -1.765 163 HG13 ILE 25 2HG1 ILE 25 -1.550 12.167 -1.516 164 HG21 ILE 25 1HG2 ILE 25 -2.725 14.616 0.831 165 HG22 ILE 25 2HG2 ILE 25 -1.652 15.941 0.382 166 HG23 ILE 25 3HG2 ILE 25 -3.071 15.584 -0.603 167 HD11 ILE 25 1HD1 ILE 25 -2.068 12.332 0.970 168 HD12 ILE 25 2HD1 ILE 25 -3.679 12.852 0.473 169 HD13 ILE 25 3HD1 ILE 25 -3.078 11.264 -0.005 170 HA PRO 26 HA PRO 26 1.938 17.718 -2.698 171 HB2 PRO 26 1HB PRO 26 0.737 20.146 -2.884 172 HB3 PRO 26 2HB PRO 26 0.944 19.068 -4.269 173 HG2 PRO 26 1HG PRO 26 -1.471 19.508 -2.556 174 HG3 PRO 26 2HG PRO 26 -1.363 19.354 -4.319 175 HD2 PRO 26 1HD PRO 26 -2.140 17.309 -2.723 176 HD3 PRO 26 2HD PRO 26 -1.250 17.053 -4.237 177 H GLU 27 H GLU 27 -0.892 18.783 -0.803 178 HA GLU 27 HA GLU 27 0.298 20.429 1.021 179 HB2 GLU 27 1HB GLU 27 -1.923 18.429 1.435 180 HB3 GLU 27 2HB GLU 27 -1.460 19.611 2.650 181 HG2 GLU 27 1HG GLU 27 -2.329 21.363 1.485 182 HG3 GLU 27 2HG GLU 27 -2.072 20.595 -0.080 183 H ILE 28 H ILE 28 0.182 16.894 1.106 184 HA ILE 28 HA ILE 28 1.514 16.662 3.616 185 HB ILE 28 HB ILE 28 1.289 14.581 1.441 186 HG12 ILE 28 1HG1 ILE 28 -0.901 15.577 2.215 187 HG13 ILE 28 2HG1 ILE 28 -0.740 13.842 2.463 188 HG21 ILE 28 1HG2 ILE 28 2.798 13.647 2.870 189 HG22 ILE 28 2HG2 ILE 28 2.209 14.556 4.261 190 HG23 ILE 28 3HG2 ILE 28 1.307 13.159 3.675 191 HD11 ILE 28 1HD1 ILE 28 -1.700 14.633 4.429 192 HD12 ILE 28 2HD1 ILE 28 0.007 14.439 4.830 193 HD13 ILE 28 3HD1 ILE 28 -0.642 16.043 4.488 194 H ASN 29 H ASN 29 3.639 15.821 3.986 195 HA ASN 29 HA ASN 29 5.528 16.351 1.788 196 HB2 ASN 29 1HB ASN 29 5.582 17.264 4.638 197 HB3 ASN 29 2HB ASN 29 7.106 16.959 3.809 198 HD21 ASN 29 1HD2 ASN 29 7.966 18.684 2.936 199 HD22 ASN 29 2HD2 ASN 29 7.113 20.046 2.301 200 H SER 30 H SER 30 7.169 14.912 1.500 201 HA SER 30 HA SER 30 6.869 12.298 2.488 202 HB2 SER 30 1HB SER 30 9.074 11.871 1.412 203 HB3 SER 30 2HB SER 30 7.946 12.712 0.349 204 HG SER 30 HG SER 30 10.367 13.504 1.238 205 H SER 31 H SER 31 8.091 15.002 4.007 206 HA SER 31 HA SER 31 9.983 13.511 5.668 207 HB2 SER 31 1HB SER 31 10.611 15.760 4.751 208 HB3 SER 31 2HB SER 31 9.340 16.467 5.748 209 HG SER 31 HG SER 31 10.540 15.239 7.511 210 H ASP 32 H ASP 32 6.747 14.407 5.640 211 HA ASP 32 HA ASP 32 6.561 14.014 8.554 212 HB2 ASP 32 1HB ASP 32 5.140 15.968 6.778 213 HB3 ASP 32 2HB ASP 32 4.354 15.386 8.243 214 H MET 33 H MET 33 6.364 12.183 6.161 215 HA MET 33 HA MET 33 3.594 11.263 6.473 216 HB2 MET 33 1HB MET 33 5.682 10.842 4.360 217 HB3 MET 33 2HB MET 33 4.339 9.717 4.515 218 HG2 MET 33 1HG MET 33 2.750 11.447 4.093 219 HG3 MET 33 2HG MET 33 4.005 12.682 4.158 220 HE1 MET 33 1HE MET 33 4.682 9.189 2.062 221 HE2 MET 33 2HE MET 33 3.015 9.401 2.598 222 HE3 MET 33 3HE MET 33 3.415 9.540 0.886 223 H SER 34 H SER 34 3.113 9.174 7.115 224 HA SER 34 HA SER 34 5.332 7.447 7.931 225 HB2 SER 34 1HB SER 34 3.054 8.257 9.754 226 HB3 SER 34 2HB SER 34 4.269 7.034 10.126 227 HG SER 34 HG SER 34 5.144 9.581 9.380 228 H ALA 35 H ALA 35 5.007 5.559 6.978 229 HA ALA 35 HA ALA 35 2.240 4.583 6.688 230 HB1 ALA 35 1HB ALA 35 4.173 5.028 4.697 231 HB2 ALA 35 2HB ALA 35 4.028 3.279 4.872 232 HB3 ALA 35 3HB ALA 35 2.599 4.252 4.524 233 H HIS 36 H HIS 36 1.771 2.531 7.328 234 HA HIS 36 HA HIS 36 3.949 0.766 8.153 235 HB2 HIS 36 1HB HIS 36 1.644 1.510 9.967 236 HB3 HIS 36 2HB HIS 36 2.889 0.315 10.321 237 HD1 HIS 36 1HD HIS 36 2.155 3.905 10.522 238 HD2 HIS 36 2HD HIS 36 5.507 1.459 10.741 239 HE1 HIS 36 1HE HIS 36 3.961 5.328 11.540 240 HE2 HIS 36 2HE HIS 36 6.002 3.854 11.584 241 H VAL 37 H VAL 37 3.600 -1.253 7.498 242 HA VAL 37 HA VAL 37 0.997 -1.943 6.392 243 HB VAL 37 HB VAL 37 3.656 -3.369 6.305 244 HG11 VAL 37 1HG1 VAL 37 0.988 -4.381 5.852 245 HG12 VAL 37 2HG1 VAL 37 1.975 -4.490 4.393 246 HG13 VAL 37 3HG1 VAL 37 2.527 -5.241 5.890 247 HG21 VAL 37 1HG2 VAL 37 2.100 -2.225 4.005 248 HG22 VAL 37 2HG2 VAL 37 3.240 -1.252 4.935 249 HG23 VAL 37 3HG2 VAL 37 3.803 -2.680 4.067 250 H THR 38 H THR 38 -0.352 -2.411 8.075 251 HA THR 38 HA THR 38 0.502 -4.198 10.195 252 HB THR 38 HB THR 38 -2.242 -3.021 9.721 253 HG1 THR 38 1HG THR 38 -1.468 -1.559 11.448 254 HG21 THR 38 1HG2 THR 38 -0.998 -4.138 12.236 255 HG22 THR 38 2HG2 THR 38 -2.149 -4.999 11.215 256 HG23 THR 38 3HG2 THR 38 -2.641 -3.528 12.052 257 H SER 39 H SER 39 -0.080 -6.294 10.448 258 HA SER 39 HA SER 39 -1.445 -7.554 8.181 259 HB2 SER 39 1HB SER 39 0.356 -8.658 10.341 260 HB3 SER 39 2HB SER 39 -0.525 -9.686 9.211 261 HG SER 39 HG SER 39 1.607 -9.215 8.497 262 HA PRO 40 HA PRO 40 -5.079 -8.492 10.458 263 HB2 PRO 40 1HB PRO 40 -5.787 -10.864 9.343 264 HB3 PRO 40 2HB PRO 40 -5.944 -9.320 8.497 265 HG2 PRO 40 1HG PRO 40 -3.796 -11.394 8.273 266 HG3 PRO 40 2HG PRO 40 -4.603 -10.475 6.988 267 HD2 PRO 40 1HD PRO 40 -2.147 -9.823 7.923 268 HD3 PRO 40 2HD PRO 40 -3.297 -8.607 7.331 269 H SER 41 H SER 41 -2.248 -10.221 10.833 270 HA SER 41 HA SER 41 -3.400 -12.117 12.748 271 HB2 SER 41 1HB SER 41 -1.201 -13.210 12.713 272 HB3 SER 41 2HB SER 41 -1.840 -13.035 11.078 273 HG SER 41 HG SER 41 -0.099 -11.117 12.205 274 H GLY 42 H GLY 42 -1.803 -9.121 12.600 275 HA2 GLY 42 1HA GLY 42 -1.781 -7.811 14.658 276 HA3 GLY 42 2HA GLY 42 -1.275 -9.267 15.502 277 H ARG 43 H ARG 43 0.107 -8.561 12.411 278 HA ARG 43 HA ARG 43 2.594 -7.713 13.747 279 HB2 ARG 43 1HB ARG 43 2.819 -9.973 12.866 280 HB3 ARG 43 2HB ARG 43 2.271 -9.435 11.284 281 HG2 ARG 43 1HG ARG 43 4.294 -7.859 11.339 282 HG3 ARG 43 2HG ARG 43 4.870 -8.878 12.660 283 HD2 ARG 43 1HD ARG 43 3.954 -10.168 10.135 284 HD3 ARG 43 2HD ARG 43 5.530 -9.379 10.163 285 HE ARG 43 HE ARG 43 5.064 -11.227 12.331 286 HH11 ARG 43 1HH1 ARG 43 6.272 -10.800 9.094 287 HH12 ARG 43 2HH1 ARG 43 7.295 -12.198 9.151 288 HH21 ARG 43 1HH2 ARG 43 6.406 -13.070 12.419 289 HH22 ARG 43 2HH2 ARG 43 7.370 -13.488 11.043 290 H VAL 44 H VAL 44 3.155 -5.704 13.269 291 HA VAL 44 HA VAL 44 2.470 -4.643 10.604 292 HB VAL 44 HB VAL 44 1.045 -3.528 12.171 293 HG11 VAL 44 1HG1 VAL 44 3.420 -2.618 13.764 294 HG12 VAL 44 2HG1 VAL 44 1.711 -2.573 14.202 295 HG13 VAL 44 3HG1 VAL 44 2.568 -4.114 14.144 296 HG21 VAL 44 1HG2 VAL 44 1.429 -1.420 11.442 297 HG22 VAL 44 2HG2 VAL 44 3.116 -1.432 11.954 298 HG23 VAL 44 3HG2 VAL 44 2.645 -2.228 10.453 299 H THR 45 H THR 45 4.005 -3.438 9.553 300 HA THR 45 HA THR 45 6.590 -3.072 10.910 301 HB THR 45 HB THR 45 7.543 -3.521 8.496 302 HG1 THR 45 1HG THR 45 5.218 -3.895 7.809 303 HG21 THR 45 1HG2 THR 45 7.170 -6.142 9.308 304 HG22 THR 45 2HG2 THR 45 7.025 -5.215 10.801 305 HG23 THR 45 3HG2 THR 45 8.477 -5.071 9.811 306 H GLU 46 H GLU 46 8.067 -1.682 9.369 307 HA GLU 46 HA GLU 46 6.489 0.696 8.701 308 HB2 GLU 46 1HB GLU 46 8.449 0.764 10.340 309 HB3 GLU 46 2HB GLU 46 9.489 0.549 8.939 310 HG2 GLU 46 1HG GLU 46 8.878 2.620 8.028 311 HG3 GLU 46 2HG GLU 46 7.485 2.773 9.098 312 H ALA 47 H ALA 47 6.225 1.343 6.666 313 HA ALA 47 HA ALA 47 7.573 -0.134 4.543 314 HB1 ALA 47 1HB ALA 47 5.924 1.309 3.128 315 HB2 ALA 47 2HB ALA 47 5.322 -0.060 4.065 316 HB3 ALA 47 3HB ALA 47 5.135 1.582 4.682 317 H GLU 48 H GLU 48 8.364 1.057 2.631 318 HA GLU 48 HA GLU 48 9.864 3.424 3.486 319 HB2 GLU 48 1HB GLU 48 11.204 1.603 2.601 320 HB3 GLU 48 2HB GLU 48 10.243 1.570 1.130 321 HG2 GLU 48 1HG GLU 48 11.121 3.607 0.377 322 HG3 GLU 48 2HG GLU 48 11.774 4.007 1.965 323 H ILE 49 H ILE 49 9.788 5.360 2.404 324 HA ILE 49 HA ILE 49 7.640 5.622 0.404 325 HB ILE 49 HB ILE 49 8.667 7.731 2.306 326 HG12 ILE 49 1HG1 ILE 49 5.974 6.363 2.309 327 HG13 ILE 49 2HG1 ILE 49 7.318 5.844 3.320 328 HG21 ILE 49 1HG2 ILE 49 6.998 9.172 1.454 329 HG22 ILE 49 2HG2 ILE 49 7.818 8.488 0.051 330 HG23 ILE 49 3HG2 ILE 49 6.239 7.870 0.538 331 HD11 ILE 49 1HD1 ILE 49 6.620 7.273 4.852 332 HD12 ILE 49 2HD1 ILE 49 7.060 8.589 3.762 333 HD13 ILE 49 3HD1 ILE 49 5.419 7.943 3.748 334 H VAL 50 H VAL 50 9.143 5.131 -1.292 335 HA VAL 50 HA VAL 50 11.503 6.619 -1.751 336 HB VAL 50 HB VAL 50 9.774 5.077 -3.688 337 HG11 VAL 50 1HG1 VAL 50 11.729 5.097 -5.172 338 HG12 VAL 50 2HG1 VAL 50 11.110 6.724 -4.879 339 HG13 VAL 50 3HG1 VAL 50 12.563 6.168 -4.048 340 HG21 VAL 50 1HG2 VAL 50 12.289 3.865 -3.194 341 HG22 VAL 50 2HG2 VAL 50 11.565 4.260 -1.635 342 HG23 VAL 50 3HG2 VAL 50 10.683 3.260 -2.790 343 HA PRO 51 HA PRO 51 9.722 10.428 -3.145 344 HB2 PRO 51 1HB PRO 51 12.010 11.528 -4.107 345 HB3 PRO 51 2HB PRO 51 11.649 11.419 -2.380 346 HG2 PRO 51 1HG PRO 51 13.381 9.656 -4.068 347 HG3 PRO 51 2HG PRO 51 13.682 10.293 -2.441 348 HD2 PRO 51 1HD PRO 51 12.824 7.763 -2.879 349 HD3 PRO 51 2HD PRO 51 12.370 8.688 -1.433 350 H MET 52 H MET 52 8.411 9.968 -4.871 351 HA MET 52 HA MET 52 9.542 9.157 -7.411 352 HB2 MET 52 1HB MET 52 6.733 9.646 -6.443 353 HB3 MET 52 2HB MET 52 7.091 9.345 -8.138 354 HG2 MET 52 1HG MET 52 7.841 7.477 -5.904 355 HG3 MET 52 2HG MET 52 6.362 7.345 -6.852 356 HE1 MET 52 1HE MET 52 6.226 6.701 -9.322 357 HE2 MET 52 2HE MET 52 7.302 5.400 -9.832 358 HE3 MET 52 3HE MET 52 6.415 5.267 -8.313 359 H GLY 53 H GLY 53 7.766 11.957 -6.121 360 HA2 GLY 53 1HA GLY 53 9.142 13.688 -8.000 361 HA3 GLY 53 2HA GLY 53 7.406 13.561 -8.244 362 H LYS 54 H LYS 54 7.480 15.897 -7.836 363 HA LYS 54 HA LYS 54 8.257 17.038 -5.406 364 HB2 LYS 54 1HB LYS 54 6.337 17.820 -7.563 365 HB3 LYS 54 2HB LYS 54 6.361 18.741 -6.065 366 HG2 LYS 54 1HG LYS 54 8.790 18.249 -7.770 367 HG3 LYS 54 2HG LYS 54 7.768 19.684 -7.887 368 HD2 LYS 54 1HD LYS 54 8.219 20.127 -5.481 369 HD3 LYS 54 2HD LYS 54 9.349 18.771 -5.485 370 HE2 LYS 54 1HE LYS 54 10.765 20.551 -5.849 371 HE3 LYS 54 2HE LYS 54 10.419 20.035 -7.499 372 HZ1 LYS 54 1HZ LYS 54 10.270 22.473 -7.121 373 HZ2 LYS 54 2HZ LYS 54 8.939 22.200 -6.114 374 HZ3 LYS 54 3HZ LYS 54 8.857 21.788 -7.752 375 H ASN 55 H ASN 55 4.954 16.159 -6.440 376 HA ASN 55 HA ASN 55 4.261 15.846 -3.592 377 HB2 ASN 55 1HB ASN 55 1.911 16.381 -4.297 378 HB3 ASN 55 2HB ASN 55 3.042 17.718 -4.479 379 HD21 ASN 55 1HD2 ASN 55 2.332 18.840 -6.154 380 HD22 ASN 55 2HD2 ASN 55 1.965 18.195 -7.715 381 H SER 56 H SER 56 5.403 13.752 -5.035 382 HA SER 56 HA SER 56 3.122 11.900 -5.225 383 HB2 SER 56 1HB SER 56 5.500 12.152 -7.056 384 HB3 SER 56 2HB SER 56 4.591 10.646 -6.932 385 HG SER 56 HG SER 56 3.625 11.755 -8.548 386 H HIS 57 H HIS 57 3.255 10.201 -3.914 387 HA HIS 57 HA HIS 57 5.895 9.488 -2.816 388 HB2 HIS 57 1HB HIS 57 3.388 8.933 -1.285 389 HB3 HIS 57 2HB HIS 57 5.020 9.224 -0.691 390 HD1 HIS 57 1HD HIS 57 5.812 11.756 -0.659 391 HD2 HIS 57 2HD HIS 57 1.771 11.152 -1.413 392 HE1 HIS 57 1HE HIS 57 4.719 13.992 -0.299 393 HE2 HIS 57 2HE HIS 57 2.263 13.583 -0.678 394 H CYS 58 H CYS 58 6.421 7.338 -2.662 395 HA CYS 58 HA CYS 58 4.466 5.426 -3.756 396 HB2 CYS 58 1HB CYS 58 6.504 6.147 -5.233 397 HB3 CYS 58 2HB CYS 58 7.412 5.067 -4.181 398 HG CYS 58 HG CYS 58 6.946 3.536 -6.366 399 H VAL 59 H VAL 59 3.997 3.821 -2.418 400 HA VAL 59 HA VAL 59 5.830 3.267 -0.187 401 HB VAL 59 HB VAL 59 2.909 2.545 -0.468 402 HG11 VAL 59 1HG1 VAL 59 4.365 2.505 2.124 403 HG12 VAL 59 2HG1 VAL 59 2.989 1.541 1.584 404 HG13 VAL 59 3HG1 VAL 59 4.612 1.165 1.005 405 HG21 VAL 59 1HG2 VAL 59 2.491 4.289 1.165 406 HG22 VAL 59 2HG2 VAL 59 4.212 4.670 1.234 407 HG23 VAL 59 3HG2 VAL 59 3.302 4.967 -0.247 408 H ARG 60 H ARG 60 7.216 1.711 -0.815 409 HA ARG 60 HA ARG 60 6.222 -0.581 -2.331 410 HB2 ARG 60 1HB ARG 60 8.201 0.068 -3.314 411 HB3 ARG 60 2HB ARG 60 8.910 0.590 -1.792 412 HG2 ARG 60 1HG ARG 60 9.549 -1.561 -1.204 413 HG3 ARG 60 2HG ARG 60 8.404 -2.309 -2.318 414 HD2 ARG 60 1HD ARG 60 9.720 -1.788 -4.192 415 HD3 ARG 60 2HD ARG 60 10.684 -0.618 -3.292 416 HE ARG 60 HE ARG 60 11.197 -2.947 -2.019 417 HH11 ARG 60 1HH1 ARG 60 11.316 -1.972 -5.359 418 HH12 ARG 60 2HH1 ARG 60 12.594 -3.067 -5.769 419 HH21 ARG 60 1HH2 ARG 60 12.880 -4.393 -2.546 420 HH22 ARG 60 2HH2 ARG 60 13.482 -4.445 -4.169 421 H PHE 61 H PHE 61 5.701 -2.426 -1.372 422 HA PHE 61 HA PHE 61 7.133 -3.359 0.961 423 HB2 PHE 61 1HB PHE 61 5.206 -3.562 2.403 424 HB3 PHE 61 2HB PHE 61 5.354 -1.883 1.896 425 HD1 PHE 61 1HD PHE 61 3.518 -5.030 1.247 426 HD2 PHE 61 2HD PHE 61 3.601 -0.800 0.786 427 HE1 PHE 61 1HE PHE 61 1.194 -5.076 0.438 428 HE2 PHE 61 2HE PHE 61 1.278 -0.838 -0.023 429 HZ PHE 61 HZ PHE 61 0.071 -2.978 -0.196 430 H VAL 62 H VAL 62 6.405 -5.560 1.611 431 HA VAL 62 HA VAL 62 5.412 -7.035 -0.740 432 HB VAL 62 HB VAL 62 7.283 -7.992 1.431 433 HG11 VAL 62 1HG1 VAL 62 6.322 -9.421 -1.045 434 HG12 VAL 62 2HG1 VAL 62 7.469 -10.041 0.144 435 HG13 VAL 62 3HG1 VAL 62 5.788 -9.760 0.601 436 HG21 VAL 62 1HG2 VAL 62 9.031 -7.580 0.063 437 HG22 VAL 62 2HG2 VAL 62 8.118 -7.962 -1.397 438 HG23 VAL 62 3HG2 VAL 62 7.937 -6.383 -0.632 439 HA PRO 63 HA PRO 63 2.023 -7.818 2.135 440 HB2 PRO 63 1HB PRO 63 0.349 -8.794 0.233 441 HB3 PRO 63 2HB PRO 63 0.603 -7.064 0.494 442 HG2 PRO 63 1HG PRO 63 1.814 -8.867 -1.566 443 HG3 PRO 63 2HG PRO 63 1.175 -7.224 -1.755 444 HD2 PRO 63 1HD PRO 63 3.825 -7.741 -1.546 445 HD3 PRO 63 2HD PRO 63 3.092 -6.248 -0.926 446 H GLN 64 H GLN 64 0.488 -9.859 2.210 447 HA GLN 64 HA GLN 64 2.233 -12.224 2.034 448 HB2 GLN 64 1HB GLN 64 -0.010 -11.577 3.948 449 HB3 GLN 64 2HB GLN 64 0.754 -13.157 3.844 450 HG2 GLN 64 1HG GLN 64 2.170 -10.588 4.515 451 HG3 GLN 64 2HG GLN 64 1.631 -11.792 5.684 452 HE21 GLN 64 1HE2 GLN 64 3.846 -11.137 3.061 453 HE22 GLN 64 2HE2 GLN 64 4.966 -12.398 3.433 454 H GLU 65 H GLU 65 0.868 -14.327 1.985 455 HA GLU 65 HA GLU 65 -0.778 -14.170 -0.383 456 HB2 GLU 65 1HB GLU 65 -0.809 -16.644 -0.227 457 HB3 GLU 65 2HB GLU 65 0.817 -15.977 -0.228 458 HG2 GLU 65 1HG GLU 65 0.977 -16.275 2.167 459 HG3 GLU 65 2HG GLU 65 -0.685 -16.860 2.226 460 H MET 66 H MET 66 -2.936 -14.246 -0.481 461 HA MET 66 HA MET 66 -5.089 -14.032 0.266 462 HB2 MET 66 1HB MET 66 -4.229 -16.550 1.699 463 HB3 MET 66 2HB MET 66 -5.898 -16.031 1.513 464 HG2 MET 66 1HG MET 66 -5.685 -17.540 -0.198 465 HG3 MET 66 2HG MET 66 -5.341 -16.020 -1.020 466 HE1 MET 66 1HE MET 66 -3.836 -15.595 -2.328 467 HE2 MET 66 2HE MET 66 -2.105 -15.887 -2.152 468 HE3 MET 66 3HE MET 66 -3.089 -16.976 -3.132 469 H GLY 67 H GLY 67 -3.637 -12.245 1.625 470 HA2 GLY 67 1HA GLY 67 -4.817 -12.385 4.318 471 HA3 GLY 67 2HA GLY 67 -3.119 -11.971 4.136 472 H VAL 68 H VAL 68 -5.886 -10.607 4.874 473 HA VAL 68 HA VAL 68 -5.758 -8.288 3.126 474 HB VAL 68 HB VAL 68 -7.546 -8.773 5.513 475 HG11 VAL 68 1HG1 VAL 68 -7.490 -6.671 3.369 476 HG12 VAL 68 2HG1 VAL 68 -8.956 -7.039 4.280 477 HG13 VAL 68 3HG1 VAL 68 -7.517 -6.461 5.120 478 HG21 VAL 68 1HG2 VAL 68 -8.194 -9.116 2.589 479 HG22 VAL 68 2HG2 VAL 68 -7.808 -10.444 3.683 480 HG23 VAL 68 3HG2 VAL 68 -9.245 -9.461 3.963 481 H HIS 69 H HIS 69 -4.302 -6.764 3.521 482 HA HIS 69 HA HIS 69 -3.456 -6.272 6.289 483 HB2 HIS 69 1HB HIS 69 -2.161 -5.265 3.751 484 HB3 HIS 69 2HB HIS 69 -1.485 -5.230 5.377 485 HD1 HIS 69 1HD HIS 69 -2.848 -7.994 3.128 486 HD2 HIS 69 2HD HIS 69 0.369 -7.164 5.621 487 HE1 HIS 69 1HE HIS 69 -1.395 -10.045 3.054 488 HE2 HIS 69 2HE HIS 69 0.502 -9.553 4.637 489 H THR 70 H THR 70 -2.749 -3.852 6.579 490 HA THR 70 HA THR 70 -4.723 -2.048 5.380 491 HB THR 70 HB THR 70 -4.226 -1.878 8.333 492 HG1 THR 70 1HG THR 70 -5.805 -3.743 6.966 493 HG21 THR 70 1HG2 THR 70 -6.813 -1.266 6.996 494 HG22 THR 70 2HG2 THR 70 -5.459 -0.169 6.724 495 HG23 THR 70 3HG2 THR 70 -6.033 -0.473 8.363 496 H VAL 71 H VAL 71 -3.742 -0.290 4.645 497 HA VAL 71 HA VAL 71 -1.048 0.344 5.548 498 HB VAL 71 HB VAL 71 -2.699 1.567 3.332 499 HG11 VAL 71 1HG1 VAL 71 -1.196 3.241 3.786 500 HG12 VAL 71 2HG1 VAL 71 0.035 2.125 4.379 501 HG13 VAL 71 3HG1 VAL 71 -0.264 2.270 2.646 502 HG21 VAL 71 1HG2 VAL 71 -0.401 0.178 2.404 503 HG22 VAL 71 2HG2 VAL 71 -1.294 -0.895 3.482 504 HG23 VAL 71 3HG2 VAL 71 -2.100 -0.174 2.090 505 H SER 72 H SER 72 -0.913 1.550 7.329 506 HA SER 72 HA SER 72 -2.918 3.602 7.861 507 HB2 SER 72 1HB SER 72 -0.712 2.389 9.525 508 HB3 SER 72 2HB SER 72 -1.621 3.804 10.056 509 HG SER 72 HG SER 72 -2.978 1.493 9.205 510 H VAL 73 H VAL 73 -2.541 5.433 6.767 511 HA VAL 73 HA VAL 73 0.201 6.512 6.764 512 HB VAL 73 HB VAL 73 -2.059 7.199 4.879 513 HG11 VAL 73 1HG1 VAL 73 -0.135 8.874 5.465 514 HG12 VAL 73 2HG1 VAL 73 0.811 7.844 4.390 515 HG13 VAL 73 3HG1 VAL 73 -0.642 8.645 3.792 516 HG21 VAL 73 1HG2 VAL 73 -0.545 4.890 4.904 517 HG22 VAL 73 2HG2 VAL 73 -1.425 5.543 3.522 518 HG23 VAL 73 3HG2 VAL 73 0.285 5.918 3.736 519 H LYS 74 H LYS 74 0.343 7.818 8.496 520 HA LYS 74 HA LYS 74 -1.848 9.702 9.024 521 HB2 LYS 74 1HB LYS 74 0.260 8.441 10.707 522 HB3 LYS 74 2HB LYS 74 -0.275 10.057 11.149 523 HG2 LYS 74 1HG LYS 74 -2.660 8.949 10.892 524 HG3 LYS 74 2HG LYS 74 -1.742 7.480 11.228 525 HD2 LYS 74 1HD LYS 74 -0.984 8.332 13.314 526 HD3 LYS 74 2HD LYS 74 -1.579 9.951 12.942 527 HE2 LYS 74 1HE LYS 74 -3.264 9.220 14.300 528 HE3 LYS 74 2HE LYS 74 -3.882 8.678 12.741 529 HZ1 LYS 74 1HZ LYS 74 -2.999 6.483 13.179 530 HZ2 LYS 74 2HZ LYS 74 -4.037 6.949 14.431 531 HZ3 LYS 74 3HZ LYS 74 -2.361 6.996 14.659 532 H TYR 75 H TYR 75 -1.286 11.916 9.601 533 HA TYR 75 HA TYR 75 1.278 12.847 8.524 534 HB2 TYR 75 1HB TYR 75 -0.262 13.125 6.688 535 HB3 TYR 75 2HB TYR 75 -1.447 13.895 7.738 536 HD1 TYR 75 1HD TYR 75 1.961 14.325 6.316 537 HD2 TYR 75 2HD TYR 75 -1.438 16.219 8.037 538 HE1 TYR 75 1HE TYR 75 2.917 16.525 5.769 539 HE2 TYR 75 2HE TYR 75 -0.492 18.424 7.494 540 HH TYR 75 HH TYR 75 2.517 19.038 6.904 541 H ARG 76 H ARG 76 2.229 13.843 10.168 542 HA ARG 76 HA ARG 76 2.582 15.120 12.020 543 HB2 ARG 76 1HB ARG 76 0.507 16.643 10.492 544 HB3 ARG 76 2HB ARG 76 0.990 17.209 12.086 545 HG2 ARG 76 1HG ARG 76 3.397 17.026 11.156 546 HG3 ARG 76 2HG ARG 76 2.604 17.023 9.580 547 HD2 ARG 76 1HD ARG 76 3.194 19.279 10.109 548 HD3 ARG 76 2HD ARG 76 1.442 19.127 10.240 549 HE ARG 76 HE ARG 76 2.699 18.701 12.751 550 HH11 ARG 76 1HH1 ARG 76 1.777 21.194 10.502 551 HH12 ARG 76 2HH1 ARG 76 1.635 22.420 11.718 552 HH21 ARG 76 1HH2 ARG 76 2.515 20.307 14.361 553 HH22 ARG 76 2HH2 ARG 76 2.056 21.914 13.912 554 H GLY 77 H GLY 77 0.758 12.873 12.274 555 HA2 GLY 77 1HA GLY 77 -0.369 11.976 14.091 556 HA3 GLY 77 2HA GLY 77 -0.356 13.565 14.842 557 H GLN 78 H GLN 78 -1.652 12.645 11.678 558 HA GLN 78 HA GLN 78 -4.377 12.754 12.609 559 HB2 GLN 78 1HB GLN 78 -3.233 14.949 10.884 560 HB3 GLN 78 2HB GLN 78 -4.957 14.613 10.980 561 HG2 GLN 78 1HG GLN 78 -4.841 14.996 13.427 562 HG3 GLN 78 2HG GLN 78 -3.155 15.469 13.231 563 HE21 GLN 78 1HE2 GLN 78 -3.313 17.570 13.803 564 HE22 GLN 78 2HE2 GLN 78 -4.243 18.744 12.941 565 H HIS 79 H HIS 79 -5.098 10.976 11.633 566 HA HIS 79 HA HIS 79 -4.120 9.750 9.372 567 HB2 HIS 79 1HB HIS 79 -6.751 9.692 10.777 568 HB3 HIS 79 2HB HIS 79 -6.641 8.927 9.194 569 HD1 HIS 79 1HD HIS 79 -4.201 7.352 9.173 570 HD2 HIS 79 2HD HIS 79 -6.387 7.822 12.675 571 HE1 HIS 79 1HE HIS 79 -3.533 5.427 10.646 572 HE2 HIS 79 2HE HIS 79 -4.931 5.684 12.725 573 H VAL 80 H VAL 80 -4.207 10.115 7.248 574 HA VAL 80 HA VAL 80 -5.403 12.514 6.252 575 HB VAL 80 HB VAL 80 -4.475 11.940 4.123 576 HG11 VAL 80 1HG1 VAL 80 -2.554 10.973 6.236 577 HG12 VAL 80 2HG1 VAL 80 -2.147 11.675 4.669 578 HG13 VAL 80 3HG1 VAL 80 -2.913 12.668 5.909 579 HG21 VAL 80 1HG2 VAL 80 -3.804 9.204 5.187 580 HG22 VAL 80 2HG2 VAL 80 -5.234 9.544 4.211 581 HG23 VAL 80 3HG2 VAL 80 -3.625 9.797 3.536 582 H THR 81 H THR 81 -6.826 12.530 4.321 583 HA THR 81 HA THR 81 -9.238 11.191 4.829 584 HB THR 81 HB THR 81 -8.374 12.468 2.227 585 HG1 THR 81 1HG THR 81 -8.624 14.302 3.241 586 HG21 THR 81 1HG2 THR 81 -10.331 11.217 1.803 587 HG22 THR 81 2HG2 THR 81 -10.884 12.872 2.062 588 HG23 THR 81 3HG2 THR 81 -11.052 11.674 3.345 589 H GLY 82 H GLY 82 -9.773 9.143 4.478 590 HA2 GLY 82 1HA GLY 82 -10.165 7.369 2.883 591 HA3 GLY 82 2HA GLY 82 -8.635 7.781 2.123 592 H SER 83 H SER 83 -7.014 7.946 4.399 593 HA SER 83 HA SER 83 -6.481 5.171 4.824 594 HB2 SER 83 1HB SER 83 -4.489 6.298 4.830 595 HB3 SER 83 2HB SER 83 -5.189 7.745 5.555 596 HG SER 83 HG SER 83 -4.170 6.992 7.255 597 HA PRO 84 HA PRO 84 -5.138 4.117 6.472 598 HB2 PRO 84 1HB PRO 84 -5.868 1.675 7.407 599 HB3 PRO 84 2HB PRO 84 -5.072 2.891 8.414 600 HG2 PRO 84 1HG PRO 84 -7.977 2.194 8.227 601 HG3 PRO 84 2HG PRO 84 -6.996 2.524 9.667 602 HD2 PRO 84 1HD PRO 84 -8.647 4.371 8.575 603 HD3 PRO 84 2HD PRO 84 -7.132 4.808 9.390 604 H PHE 85 H PHE 85 -4.901 3.085 4.563 605 HA PHE 85 HA PHE 85 -7.302 2.479 3.046 606 HB2 PHE 85 1HB PHE 85 -4.393 2.437 2.214 607 HB3 PHE 85 2HB PHE 85 -5.769 2.249 1.132 608 HD1 PHE 85 2HD PHE 85 -7.299 4.159 0.744 609 HD2 PHE 85 1HD PHE 85 -3.680 4.569 2.947 610 HE1 PHE 85 2HE PHE 85 -7.399 6.599 0.446 611 HE2 PHE 85 1HE PHE 85 -3.775 7.011 2.653 612 HZ PHE 85 HZ PHE 85 -5.635 8.028 1.401 613 H GLN 86 H GLN 86 -8.164 0.520 3.122 614 HA GLN 86 HA GLN 86 -6.502 -1.771 3.833 615 HB2 GLN 86 1HB GLN 86 -8.856 -1.157 4.818 616 HB3 GLN 86 2HB GLN 86 -9.452 -1.949 3.365 617 HG2 GLN 86 1HG GLN 86 -7.871 -3.880 4.098 618 HG3 GLN 86 2HG GLN 86 -7.969 -3.105 5.678 619 HE21 GLN 86 1HE2 GLN 86 -9.180 -4.534 6.771 620 HE22 GLN 86 2HE2 GLN 86 -10.785 -4.999 6.335 621 H PHE 87 H PHE 87 -6.188 -3.538 2.535 622 HA PHE 87 HA PHE 87 -7.494 -3.696 -0.052 623 HB2 PHE 87 1HB PHE 87 -5.490 -3.647 -1.364 624 HB3 PHE 87 2HB PHE 87 -5.496 -2.199 -0.363 625 HD1 PHE 87 2HD PHE 87 -4.134 -5.649 -0.531 626 HD2 PHE 87 1HD PHE 87 -3.681 -1.702 0.995 627 HE1 PHE 87 2HE PHE 87 -1.907 -6.242 0.331 628 HE2 PHE 87 1HE PHE 87 -1.453 -2.288 1.859 629 HZ PHE 87 HZ PHE 87 -0.564 -4.561 1.529 630 H THR 88 H THR 88 -7.517 -5.748 -0.908 631 HA THR 88 HA THR 88 -6.547 -7.855 0.883 632 HB THR 88 HB THR 88 -8.490 -8.113 -1.419 633 HG1 THR 88 1HG THR 88 -8.839 -7.488 1.308 634 HG21 THR 88 1HG2 THR 88 -7.486 -10.226 -0.900 635 HG22 THR 88 2HG2 THR 88 -9.109 -10.219 -0.208 636 HG23 THR 88 3HG2 THR 88 -7.705 -9.965 0.829 637 H VAL 89 H VAL 89 -5.232 -9.510 0.200 638 HA VAL 89 HA VAL 89 -3.869 -9.057 -2.363 639 HB VAL 89 HB VAL 89 -2.933 -10.768 -0.057 640 HG11 VAL 89 1HG1 VAL 89 -1.546 -9.726 -2.523 641 HG12 VAL 89 2HG1 VAL 89 -0.734 -10.537 -1.183 642 HG13 VAL 89 3HG1 VAL 89 -1.928 -11.406 -2.148 643 HG21 VAL 89 1HG2 VAL 89 -3.211 -8.276 0.420 644 HG22 VAL 89 2HG2 VAL 89 -1.624 -8.982 0.726 645 HG23 VAL 89 3HG2 VAL 89 -1.899 -8.029 -0.732 646 H GLY 90 H GLY 90 -3.617 -10.680 -3.868 647 HA2 GLY 90 1HA GLY 90 -5.151 -13.153 -3.350 648 HA3 GLY 90 2HA GLY 90 -5.197 -12.315 -4.894 649 HA PRO 91 HA PRO 91 -2.075 -15.673 -5.308 650 HB2 PRO 91 1HB PRO 91 -2.780 -16.308 -7.852 651 HB3 PRO 91 2HB PRO 91 -3.596 -16.977 -6.433 652 HG2 PRO 91 1HG PRO 91 -4.427 -14.710 -8.204 653 HG3 PRO 91 2HG PRO 91 -5.410 -16.025 -7.534 654 HD2 PRO 91 1HD PRO 91 -5.378 -13.539 -6.463 655 HD3 PRO 91 2HD PRO 91 -5.609 -14.999 -5.480 656 H LEU 92 H LEU 92 -0.101 -15.541 -6.293 657 HA LEU 92 HA LEU 92 0.954 -13.147 -7.092 658 HB2 LEU 92 1HB LEU 92 2.448 -14.874 -6.558 659 HB3 LEU 92 2HB LEU 92 1.741 -15.967 -7.746 660 HG LEU 92 HG LEU 92 2.650 -14.186 -9.453 661 HD11 LEU 92 1HD1 LEU 92 4.997 -13.559 -8.363 662 HD12 LEU 92 2HD1 LEU 92 4.002 -13.514 -6.907 663 HD13 LEU 92 3HD1 LEU 92 3.596 -12.490 -8.284 664 HD21 LEU 92 1HD2 LEU 92 4.994 -15.569 -8.696 665 HD22 LEU 92 2HD2 LEU 92 3.847 -15.979 -9.972 666 HD23 LEU 92 3HD2 LEU 92 3.625 -16.625 -8.345 667 H GLY 93 H GLY 93 0.420 -15.783 -9.438 668 HA2 GLY 93 1HA GLY 93 -1.097 -14.222 -11.243 669 HA3 GLY 93 2HA GLY 93 0.595 -14.183 -11.715 670 H GLU 94 H GLU 94 -1.745 -16.634 -10.594 671 HA GLU 94 HA GLU 94 -0.578 -18.822 -11.834 672 HB2 GLU 94 1HB GLU 94 -3.377 -18.194 -10.973 673 HB3 GLU 94 2HB GLU 94 -3.060 -19.669 -11.876 674 HG2 GLU 94 1HG GLU 94 -1.863 -20.621 -10.177 675 HG3 GLU 94 2HG GLU 94 -1.383 -19.068 -9.496 676 H GLY 95 H GLY 95 -1.490 -20.089 -13.683 677 HA2 GLY 95 1HA GLY 95 -3.015 -18.873 -15.719 678 HA3 GLY 95 2HA GLY 95 -1.309 -18.632 -16.065 679 H GLY 96 H GLY 96 -1.355 -19.914 -17.918 680 HA2 GLY 96 1HA GLY 96 -0.422 -22.310 -18.135 681 HA3 GLY 96 2HA GLY 96 -2.007 -22.756 -17.522 682 H SER 97 H SER 97 -0.286 -21.282 -20.210 683 HA SER 97 HA SER 97 -2.599 -21.905 -21.925 684 HB2 SER 97 1HB SER 97 -2.300 -19.454 -21.621 685 HB3 SER 97 2HB SER 97 -0.676 -19.596 -22.294 686 HG SER 97 HG SER 97 -2.071 -20.730 -24.078 687 H GLY 98 H GLY 98 -1.948 -23.788 -22.828 688 HA2 GLY 98 1HA GLY 98 0.787 -24.026 -23.837 689 HA3 GLY 98 2HA GLY 98 -0.388 -25.326 -23.708 690 HA PRO 99 HA PRO 99 -0.198 -23.252 -28.043 691 HB2 PRO 99 1HB PRO 99 1.671 -24.799 -29.261 692 HB3 PRO 99 2HB PRO 99 2.065 -23.286 -28.437 693 HG2 PRO 99 1HG PRO 99 2.326 -26.102 -27.455 694 HG3 PRO 99 2HG PRO 99 3.461 -24.750 -27.289 695 HD2 PRO 99 1HD PRO 99 1.812 -25.523 -25.285 696 HD3 PRO 99 2HD PRO 99 2.304 -23.833 -25.518 697 H SER 100 H SER 100 -2.017 -24.024 -28.915 698 HA SER 100 HA SER 100 -2.510 -26.895 -28.985 699 HB2 SER 100 1HB SER 100 -4.240 -25.105 -28.296 700 HB3 SER 100 2HB SER 100 -4.385 -24.779 -30.023 701 HG SER 100 HG SER 100 -4.646 -27.250 -30.052 702 H SER 101 H SER 101 -2.293 -28.120 -30.743 703 HA SER 101 HA SER 101 -1.460 -26.842 -33.229 704 HB2 SER 101 1HB SER 101 -1.473 -29.759 -32.418 705 HB3 SER 101 2HB SER 101 -0.814 -29.125 -33.926 706 HG SER 101 HG SER 101 0.067 -28.144 -31.434 707 H GLY 102 H GLY 102 -2.793 -26.558 -34.887 708 HA2 GLY 102 1HA GLY 102 -4.627 -28.410 -35.869 709 HA3 GLY 102 2HA GLY 102 -5.512 -27.341 -34.791 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -16.003 7.655 16.788 2 HA2 GLY 1 1HA GLY 1 -16.899 6.193 18.490 3 HA3 GLY 1 2HA GLY 1 -18.402 6.136 17.581 4 H SER 2 H SER 2 -18.739 4.430 16.315 5 HA SER 2 HA SER 2 -16.411 2.855 15.442 6 HB2 SER 2 1HB SER 2 -17.667 0.789 15.877 7 HB3 SER 2 2HB SER 2 -17.476 1.730 17.356 8 HG SER 2 HG SER 2 -19.770 2.069 15.770 9 H SER 3 H SER 3 -17.037 1.271 13.675 10 HA SER 3 HA SER 3 -19.208 2.271 11.981 11 HB2 SER 3 1HB SER 3 -17.678 2.207 9.999 12 HB3 SER 3 2HB SER 3 -17.270 3.464 11.167 13 HG SER 3 HG SER 3 -15.616 2.144 11.945 14 H GLY 4 H GLY 4 -19.730 0.792 10.191 15 HA2 GLY 4 1HA GLY 4 -19.423 -1.980 11.086 16 HA3 GLY 4 2HA GLY 4 -20.623 -1.387 9.948 17 H SER 5 H SER 5 -17.576 -2.853 10.325 18 HA SER 5 HA SER 5 -17.060 -2.612 7.434 19 HB2 SER 5 1HB SER 5 -15.226 -1.638 8.626 20 HB3 SER 5 2HB SER 5 -15.144 -3.004 9.738 21 HG SER 5 HG SER 5 -13.660 -3.621 8.356 22 H SER 6 H SER 6 -17.759 -4.371 6.419 23 HA SER 6 HA SER 6 -16.699 -6.937 6.987 24 HB2 SER 6 1HB SER 6 -18.922 -8.045 7.464 25 HB3 SER 6 2HB SER 6 -18.287 -7.053 8.776 26 HG SER 6 HG SER 6 -19.661 -5.343 7.646 27 H GLY 7 H GLY 7 -17.079 -8.415 5.327 28 HA2 GLY 7 1HA GLY 7 -18.776 -8.854 3.437 29 HA3 GLY 7 2HA GLY 7 -18.339 -7.224 2.948 30 H ARG 8 H ARG 8 -18.039 -9.545 1.345 31 HA ARG 8 HA ARG 8 -15.193 -10.159 1.373 32 HB2 ARG 8 1HB ARG 8 -17.508 -11.178 -0.270 33 HB3 ARG 8 2HB ARG 8 -15.840 -11.618 -0.611 34 HG2 ARG 8 1HG ARG 8 -15.720 -12.424 1.795 35 HG3 ARG 8 2HG ARG 8 -17.478 -12.269 1.816 36 HD2 ARG 8 1HD ARG 8 -15.959 -13.890 -0.218 37 HD3 ARG 8 2HD ARG 8 -16.621 -14.561 1.272 38 HE ARG 8 HE ARG 8 -18.781 -13.419 0.190 39 HH11 ARG 8 1HH1 ARG 8 -16.345 -15.494 -1.182 40 HH12 ARG 8 2HH1 ARG 8 -17.417 -16.205 -2.341 41 HH21 ARG 8 1HH2 ARG 8 -20.203 -14.348 -1.333 42 HH22 ARG 8 2HH2 ARG 8 -19.612 -15.552 -2.427 43 H ALA 9 H ALA 9 -13.724 -9.288 0.042 44 HA ALA 9 HA ALA 9 -14.677 -7.683 -2.235 45 HB1 ALA 9 1HB ALA 9 -12.415 -6.363 -1.506 46 HB2 ALA 9 2HB ALA 9 -14.050 -5.886 -1.047 47 HB3 ALA 9 3HB ALA 9 -13.065 -6.839 0.063 48 HA PRO 10 HA PRO 10 -11.706 -9.773 -4.698 49 HB2 PRO 10 1HB PRO 10 -10.952 -7.820 -6.427 50 HB3 PRO 10 2HB PRO 10 -12.535 -8.604 -6.494 51 HG2 PRO 10 1HG PRO 10 -11.777 -5.968 -5.296 52 HG3 PRO 10 2HG PRO 10 -13.191 -6.384 -6.280 53 HD2 PRO 10 1HD PRO 10 -13.306 -6.168 -3.584 54 HD3 PRO 10 2HD PRO 10 -14.321 -7.305 -4.495 55 H SER 11 H SER 11 -9.427 -9.175 -5.824 56 HA SER 11 HA SER 11 -7.725 -8.070 -3.686 57 HB2 SER 11 1HB SER 11 -5.973 -9.698 -4.718 58 HB3 SER 11 2HB SER 11 -7.215 -10.350 -3.649 59 HG SER 11 HG SER 11 -7.536 -10.254 -6.457 60 H VAL 12 H VAL 12 -6.549 -6.367 -4.243 61 HA VAL 12 HA VAL 12 -6.174 -5.795 -7.104 62 HB VAL 12 HB VAL 12 -5.663 -3.452 -6.298 63 HG11 VAL 12 1HG1 VAL 12 -8.001 -4.609 -6.995 64 HG12 VAL 12 2HG1 VAL 12 -8.419 -3.969 -5.405 65 HG13 VAL 12 3HG1 VAL 12 -7.813 -2.888 -6.661 66 HG21 VAL 12 1HG2 VAL 12 -5.196 -4.128 -3.947 67 HG22 VAL 12 2HG2 VAL 12 -6.346 -2.799 -4.091 68 HG23 VAL 12 3HG2 VAL 12 -6.921 -4.428 -3.738 69 H ALA 13 H ALA 13 -4.526 -6.446 -4.138 70 HA ALA 13 HA ALA 13 -1.945 -5.641 -5.259 71 HB1 ALA 13 1HB ALA 13 -1.260 -5.299 -3.162 72 HB2 ALA 13 2HB ALA 13 -2.962 -5.440 -2.718 73 HB3 ALA 13 3HB ALA 13 -1.902 -6.845 -2.606 74 H THR 14 H THR 14 -0.118 -7.126 -5.109 75 HA THR 14 HA THR 14 -0.961 -9.896 -5.633 76 HB THR 14 HB THR 14 1.749 -8.896 -6.402 77 HG1 THR 14 1HG THR 14 0.406 -7.305 -7.255 78 HG21 THR 14 1HG2 THR 14 1.696 -11.040 -7.101 79 HG22 THR 14 2HG2 THR 14 0.775 -10.387 -8.456 80 HG23 THR 14 3HG2 THR 14 -0.066 -11.107 -7.083 81 H VAL 15 H VAL 15 0.240 -11.629 -4.777 82 HA VAL 15 HA VAL 15 1.440 -11.046 -2.200 83 HB VAL 15 HB VAL 15 -0.172 -12.891 -2.392 84 HG11 VAL 15 1HG1 VAL 15 0.321 -14.901 -3.598 85 HG12 VAL 15 2HG1 VAL 15 0.474 -13.541 -4.712 86 HG13 VAL 15 3HG1 VAL 15 1.918 -14.301 -4.043 87 HG21 VAL 15 1HG2 VAL 15 1.213 -13.178 -0.560 88 HG22 VAL 15 2HG2 VAL 15 1.414 -14.704 -1.421 89 HG23 VAL 15 3HG2 VAL 15 2.645 -13.447 -1.553 90 H GLY 16 H GLY 16 3.555 -11.146 -1.717 91 HA2 GLY 16 1HA GLY 16 5.796 -11.744 -1.909 92 HA3 GLY 16 2HA GLY 16 5.409 -12.616 -3.385 93 H SER 17 H SER 17 4.126 -10.430 -4.723 94 HA SER 17 HA SER 17 6.471 -9.137 -5.758 95 HB2 SER 17 1HB SER 17 4.250 -9.893 -6.979 96 HB3 SER 17 2HB SER 17 3.714 -8.274 -6.532 97 HG SER 17 HG SER 17 5.971 -7.757 -7.495 98 H ILE 18 H ILE 18 6.831 -6.873 -5.877 99 HA ILE 18 HA ILE 18 6.393 -5.500 -3.450 100 HB ILE 18 HB ILE 18 7.268 -4.355 -6.105 101 HG12 ILE 18 1HG1 ILE 18 8.664 -6.251 -5.234 102 HG13 ILE 18 2HG1 ILE 18 9.529 -4.724 -5.377 103 HG21 ILE 18 1HG2 ILE 18 8.470 -2.805 -4.303 104 HG22 ILE 18 2HG2 ILE 18 6.863 -2.454 -4.934 105 HG23 ILE 18 3HG2 ILE 18 7.041 -3.246 -3.369 106 HD11 ILE 18 1HD1 ILE 18 10.243 -5.364 -3.327 107 HD12 ILE 18 2HD1 ILE 18 8.781 -4.502 -2.847 108 HD13 ILE 18 3HD1 ILE 18 8.768 -6.261 -2.967 109 H CYS 19 H CYS 19 4.743 -4.299 -2.780 110 HA CYS 19 HA CYS 19 2.617 -3.655 -4.684 111 HB2 CYS 19 1HB CYS 19 2.013 -4.883 -2.624 112 HB3 CYS 19 2HB CYS 19 2.604 -3.534 -1.661 113 HG CYS 19 HG CYS 19 0.657 -1.755 -2.412 114 H ASP 20 H ASP 20 3.073 -1.775 -5.680 115 HA ASP 20 HA ASP 20 4.204 0.452 -4.202 116 HB2 ASP 20 1HB ASP 20 3.417 0.136 -7.104 117 HB3 ASP 20 2HB ASP 20 4.114 1.607 -6.429 118 H LEU 21 H LEU 21 3.098 2.118 -3.388 119 HA LEU 21 HA LEU 21 0.203 2.193 -3.845 120 HB2 LEU 21 1HB LEU 21 1.360 2.079 -1.518 121 HB3 LEU 21 2HB LEU 21 1.626 3.804 -1.766 122 HG LEU 21 HG LEU 21 -0.789 4.156 -1.921 123 HD11 LEU 21 1HD1 LEU 21 -1.655 2.182 -2.818 124 HD12 LEU 21 2HD1 LEU 21 -2.234 2.191 -1.152 125 HD13 LEU 21 3HD1 LEU 21 -0.865 1.175 -1.604 126 HD21 LEU 21 1HD2 LEU 21 0.291 4.341 0.252 127 HD22 LEU 21 2HD2 LEU 21 0.056 2.615 0.531 128 HD23 LEU 21 3HD2 LEU 21 -1.339 3.689 0.420 129 H ASN 22 H ASN 22 -0.856 4.033 -4.516 130 HA ASN 22 HA ASN 22 0.856 6.071 -5.748 131 HB2 ASN 22 1HB ASN 22 -2.094 5.846 -6.244 132 HB3 ASN 22 2HB ASN 22 -0.830 6.450 -7.312 133 HD21 ASN 22 1HD2 ASN 22 0.514 4.959 -8.384 134 HD22 ASN 22 2HD2 ASN 22 0.017 3.322 -8.627 135 H LEU 23 H LEU 23 1.238 7.683 -4.351 136 HA LEU 23 HA LEU 23 -1.090 9.002 -3.138 137 HB2 LEU 23 1HB LEU 23 1.415 8.071 -1.820 138 HB3 LEU 23 2HB LEU 23 0.646 9.548 -1.243 139 HG LEU 23 HG LEU 23 -0.657 6.828 -1.352 140 HD11 LEU 23 1HD1 LEU 23 1.103 6.909 0.322 141 HD12 LEU 23 2HD1 LEU 23 -0.484 6.893 1.089 142 HD13 LEU 23 3HD1 LEU 23 0.428 8.399 0.983 143 HD21 LEU 23 1HD2 LEU 23 -1.905 8.736 0.382 144 HD22 LEU 23 2HD2 LEU 23 -2.591 7.849 -0.979 145 HD23 LEU 23 3HD2 LEU 23 -1.790 9.398 -1.249 146 H LYS 24 H LYS 24 -0.946 11.242 -2.924 147 HA LYS 24 HA LYS 24 1.458 12.624 -3.752 148 HB2 LYS 24 1HB LYS 24 0.199 13.917 -5.521 149 HB3 LYS 24 2HB LYS 24 0.575 12.248 -5.927 150 HG2 LYS 24 1HG LYS 24 -1.838 11.848 -4.911 151 HG3 LYS 24 2HG LYS 24 -2.042 13.533 -5.395 152 HD2 LYS 24 1HD LYS 24 -2.731 12.358 -7.279 153 HD3 LYS 24 2HD LYS 24 -1.054 12.761 -7.656 154 HE2 LYS 24 1HE LYS 24 -0.523 10.458 -6.595 155 HE3 LYS 24 2HE LYS 24 -2.236 10.128 -6.855 156 HZ1 LYS 24 1HZ LYS 24 -1.941 9.925 -9.049 157 HZ2 LYS 24 2HZ LYS 24 -0.306 9.710 -8.675 158 HZ3 LYS 24 3HZ LYS 24 -0.872 11.233 -9.147 159 H ILE 25 H ILE 25 1.622 14.018 -2.119 160 HA ILE 25 HA ILE 25 -0.704 15.711 -1.511 161 HB ILE 25 HB ILE 25 1.157 14.976 0.703 162 HG12 ILE 25 1HG1 ILE 25 -1.109 13.262 -0.327 163 HG13 ILE 25 2HG1 ILE 25 0.578 12.800 -0.133 164 HG21 ILE 25 1HG2 ILE 25 -0.287 16.211 1.846 165 HG22 ILE 25 2HG2 ILE 25 -1.246 16.454 0.387 166 HG23 ILE 25 3HG2 ILE 25 -1.578 15.080 1.441 167 HD11 ILE 25 1HD1 ILE 25 -1.596 12.839 1.810 168 HD12 ILE 25 2HD1 ILE 25 -0.109 11.891 1.782 169 HD13 ILE 25 3HD1 ILE 25 -0.091 13.543 2.398 170 HA PRO 26 HA PRO 26 2.777 18.479 -2.511 171 HB2 PRO 26 1HB PRO 26 1.183 20.508 -3.356 172 HB3 PRO 26 2HB PRO 26 1.635 19.147 -4.389 173 HG2 PRO 26 1HG PRO 26 -0.893 19.599 -2.851 174 HG3 PRO 26 2HG PRO 26 -0.682 18.990 -4.503 175 HD2 PRO 26 1HD PRO 26 -1.163 17.356 -2.398 176 HD3 PRO 26 2HD PRO 26 -0.176 16.859 -3.787 177 H GLU 27 H GLU 27 0.136 18.653 -0.332 178 HA GLU 27 HA GLU 27 0.970 21.184 0.831 179 HB2 GLU 27 1HB GLU 27 -1.326 19.318 1.223 180 HB3 GLU 27 2HB GLU 27 -0.896 20.402 2.538 181 HG2 GLU 27 1HG GLU 27 -0.944 22.190 0.589 182 HG3 GLU 27 2HG GLU 27 -2.038 21.008 -0.127 183 H ILE 28 H ILE 28 1.584 17.851 1.225 184 HA ILE 28 HA ILE 28 2.895 18.387 3.810 185 HB ILE 28 HB ILE 28 1.686 15.761 2.933 186 HG12 ILE 28 1HG1 ILE 28 0.734 17.469 5.219 187 HG13 ILE 28 2HG1 ILE 28 0.127 17.723 3.586 188 HG21 ILE 28 1HG2 ILE 28 3.019 16.601 5.503 189 HG22 ILE 28 2HG2 ILE 28 2.148 15.085 5.273 190 HG23 ILE 28 3HG2 ILE 28 3.608 15.414 4.340 191 HD11 ILE 28 1HD1 ILE 28 -0.010 14.943 4.253 192 HD12 ILE 28 2HD1 ILE 28 -0.800 15.909 5.498 193 HD13 ILE 28 3HD1 ILE 28 -1.304 16.057 3.815 194 H ASN 29 H ASN 29 4.823 17.146 4.241 195 HA ASN 29 HA ASN 29 6.373 16.710 1.812 196 HB2 ASN 29 1HB ASN 29 7.223 16.814 4.715 197 HB3 ASN 29 2HB ASN 29 8.319 16.643 3.347 198 HD21 ASN 29 1HD2 ASN 29 9.376 18.552 3.942 199 HD22 ASN 29 2HD2 ASN 29 8.680 20.104 3.637 200 H SER 30 H SER 30 8.155 14.892 2.215 201 HA SER 30 HA SER 30 6.645 12.427 2.416 202 HB2 SER 30 1HB SER 30 8.185 12.652 0.555 203 HB3 SER 30 2HB SER 30 9.526 12.965 1.657 204 HG SER 30 HG SER 30 9.789 10.882 1.550 205 H SER 31 H SER 31 9.226 14.088 4.132 206 HA SER 31 HA SER 31 9.879 11.945 5.877 207 HB2 SER 31 1HB SER 31 11.508 13.662 5.620 208 HB3 SER 31 2HB SER 31 10.346 14.925 6.026 209 HG SER 31 HG SER 31 11.167 14.689 7.953 210 H ASP 32 H ASP 32 7.441 14.426 5.903 211 HA ASP 32 HA ASP 32 6.745 14.010 8.679 212 HB2 ASP 32 1HB ASP 32 6.491 16.174 7.183 213 HB3 ASP 32 2HB ASP 32 4.944 15.440 6.770 214 H MET 33 H MET 33 6.346 12.161 6.046 215 HA MET 33 HA MET 33 3.643 11.268 6.786 216 HB2 MET 33 1HB MET 33 5.217 11.159 4.247 217 HB3 MET 33 2HB MET 33 3.993 9.931 4.542 218 HG2 MET 33 1HG MET 33 2.471 11.988 5.053 219 HG3 MET 33 2HG MET 33 3.676 12.859 4.108 220 HE1 MET 33 1HE MET 33 2.398 12.601 0.754 221 HE2 MET 33 2HE MET 33 3.160 13.490 2.073 222 HE3 MET 33 3HE MET 33 4.045 12.207 1.246 223 H SER 34 H SER 34 3.234 8.976 6.907 224 HA SER 34 HA SER 34 5.476 7.165 7.089 225 HB2 SER 34 1HB SER 34 5.150 8.489 9.350 226 HB3 SER 34 2HB SER 34 3.834 7.338 9.585 227 HG SER 34 HG SER 34 6.555 6.699 9.080 228 H ALA 35 H ALA 35 4.879 5.094 6.717 229 HA ALA 35 HA ALA 35 2.005 4.460 6.785 230 HB1 ALA 35 1HB ALA 35 3.909 3.614 4.606 231 HB2 ALA 35 2HB ALA 35 2.183 3.263 4.697 232 HB3 ALA 35 3HB ALA 35 2.734 4.923 4.471 233 H HIS 36 H HIS 36 1.460 2.446 7.501 234 HA HIS 36 HA HIS 36 3.637 0.565 8.098 235 HB2 HIS 36 1HB HIS 36 1.396 1.240 10.014 236 HB3 HIS 36 2HB HIS 36 2.715 0.108 10.299 237 HD1 HIS 36 1HD HIS 36 1.800 3.642 10.607 238 HD2 HIS 36 2HD HIS 36 5.294 1.394 10.586 239 HE1 HIS 36 1HE HIS 36 3.575 5.150 11.555 240 HE2 HIS 36 2HE HIS 36 5.697 3.798 11.453 241 H VAL 37 H VAL 37 3.237 -1.339 7.206 242 HA VAL 37 HA VAL 37 0.558 -1.991 6.298 243 HB VAL 37 HB VAL 37 3.173 -3.466 5.958 244 HG11 VAL 37 1HG1 VAL 37 0.486 -4.365 5.607 245 HG12 VAL 37 2HG1 VAL 37 1.273 -4.260 4.031 246 HG13 VAL 37 3HG1 VAL 37 1.993 -5.232 5.315 247 HG21 VAL 37 1HG2 VAL 37 2.853 -1.225 4.808 248 HG22 VAL 37 2HG2 VAL 37 3.250 -2.593 3.769 249 HG23 VAL 37 3HG2 VAL 37 1.589 -2.007 3.859 250 H THR 38 H THR 38 -0.767 -2.766 7.821 251 HA THR 38 HA THR 38 0.237 -4.511 9.918 252 HB THR 38 HB THR 38 -2.514 -3.368 9.410 253 HG1 THR 38 1HG THR 38 -1.499 -1.751 10.356 254 HG21 THR 38 1HG2 THR 38 -1.529 -5.115 11.667 255 HG22 THR 38 2HG2 THR 38 -2.787 -5.507 10.495 256 HG23 THR 38 3HG2 THR 38 -3.052 -4.229 11.680 257 H SER 39 H SER 39 -0.392 -6.635 10.243 258 HA SER 39 HA SER 39 -1.529 -7.959 7.876 259 HB2 SER 39 1HB SER 39 -0.181 -9.786 8.283 260 HB3 SER 39 2HB SER 39 0.838 -8.505 8.940 261 HG SER 39 HG SER 39 0.257 -10.551 10.239 262 HA PRO 40 HA PRO 40 -5.107 -9.260 10.059 263 HB2 PRO 40 1HB PRO 40 -5.549 -11.701 8.957 264 HB3 PRO 40 2HB PRO 40 -5.830 -10.189 8.086 265 HG2 PRO 40 1HG PRO 40 -3.486 -12.046 7.950 266 HG3 PRO 40 2HG PRO 40 -4.341 -11.224 6.631 267 HD2 PRO 40 1HD PRO 40 -1.987 -10.327 7.625 268 HD3 PRO 40 2HD PRO 40 -3.232 -9.235 6.984 269 H SER 41 H SER 41 -2.134 -10.758 10.489 270 HA SER 41 HA SER 41 -3.153 -12.719 12.410 271 HB2 SER 41 1HB SER 41 -0.982 -13.718 12.364 272 HB3 SER 41 2HB SER 41 -1.394 -13.339 10.692 273 HG SER 41 HG SER 41 0.738 -12.693 11.221 274 H GLY 42 H GLY 42 -1.634 -9.633 12.238 275 HA2 GLY 42 1HA GLY 42 -1.858 -8.282 14.292 276 HA3 GLY 42 2HA GLY 42 -1.267 -9.684 15.171 277 H ARG 43 H ARG 43 0.223 -9.091 12.148 278 HA ARG 43 HA ARG 43 2.567 -7.968 13.537 279 HB2 ARG 43 1HB ARG 43 2.792 -10.300 12.600 280 HB3 ARG 43 2HB ARG 43 2.599 -9.600 10.998 281 HG2 ARG 43 1HG ARG 43 4.588 -8.141 11.534 282 HG3 ARG 43 2HG ARG 43 4.835 -9.160 12.953 283 HD2 ARG 43 1HD ARG 43 4.593 -10.315 10.192 284 HD3 ARG 43 2HD ARG 43 6.135 -9.741 10.826 285 HE ARG 43 HE ARG 43 4.924 -11.522 12.656 286 HH11 ARG 43 1HH1 ARG 43 6.578 -11.454 9.594 287 HH12 ARG 43 2HH1 ARG 43 7.209 -13.059 9.752 288 HH21 ARG 43 1HH2 ARG 43 5.749 -13.637 12.876 289 HH22 ARG 43 2HH2 ARG 43 6.737 -14.301 11.618 290 H VAL 44 H VAL 44 3.006 -5.935 13.030 291 HA VAL 44 HA VAL 44 2.232 -4.947 10.362 292 HB VAL 44 HB VAL 44 0.896 -3.772 11.916 293 HG11 VAL 44 1HG1 VAL 44 1.713 -2.736 13.935 294 HG12 VAL 44 2HG1 VAL 44 2.174 -4.439 13.929 295 HG13 VAL 44 3HG1 VAL 44 3.369 -3.200 13.545 296 HG21 VAL 44 1HG2 VAL 44 1.905 -2.335 10.243 297 HG22 VAL 44 2HG2 VAL 44 1.732 -1.460 11.765 298 HG23 VAL 44 3HG2 VAL 44 3.310 -2.078 11.278 299 H THR 45 H THR 45 3.655 -3.593 9.261 300 HA THR 45 HA THR 45 6.339 -3.281 10.418 301 HB THR 45 HB THR 45 7.164 -3.688 7.981 302 HG1 THR 45 1HG THR 45 5.808 -5.268 6.924 303 HG21 THR 45 1HG2 THR 45 6.252 -5.900 9.820 304 HG22 THR 45 2HG2 THR 45 7.835 -5.122 9.781 305 HG23 THR 45 3HG2 THR 45 7.321 -6.144 8.439 306 H GLU 46 H GLU 46 7.692 -1.742 9.065 307 HA GLU 46 HA GLU 46 6.032 0.577 8.419 308 HB2 GLU 46 1HB GLU 46 7.756 1.023 10.026 309 HB3 GLU 46 2HB GLU 46 8.979 0.286 9.001 310 HG2 GLU 46 1HG GLU 46 8.441 2.108 7.315 311 HG3 GLU 46 2HG GLU 46 7.559 2.899 8.620 312 H ALA 47 H ALA 47 5.815 1.361 6.416 313 HA ALA 47 HA ALA 47 7.144 -0.052 4.238 314 HB1 ALA 47 1HB ALA 47 5.480 0.813 2.809 315 HB2 ALA 47 2HB ALA 47 4.647 0.376 4.301 316 HB3 ALA 47 3HB ALA 47 5.027 2.065 3.966 317 H GLU 48 H GLU 48 8.046 1.146 2.422 318 HA GLU 48 HA GLU 48 9.463 3.543 3.350 319 HB2 GLU 48 1HB GLU 48 11.016 1.899 2.678 320 HB3 GLU 48 2HB GLU 48 10.081 1.481 1.249 321 HG2 GLU 48 1HG GLU 48 10.657 3.572 0.203 322 HG3 GLU 48 2HG GLU 48 11.489 4.108 1.662 323 H ILE 49 H ILE 49 9.183 5.475 2.408 324 HA ILE 49 HA ILE 49 7.231 5.647 0.232 325 HB ILE 49 HB ILE 49 8.263 7.696 2.184 326 HG12 ILE 49 1HG1 ILE 49 5.443 6.761 1.628 327 HG13 ILE 49 2HG1 ILE 49 6.472 6.058 2.872 328 HG21 ILE 49 1HG2 ILE 49 7.150 8.088 -0.471 329 HG22 ILE 49 2HG2 ILE 49 6.213 8.897 0.784 330 HG23 ILE 49 3HG2 ILE 49 7.934 9.241 0.608 331 HD11 ILE 49 1HD1 ILE 49 5.017 7.627 3.906 332 HD12 ILE 49 2HD1 ILE 49 6.639 8.321 3.899 333 HD13 ILE 49 3HD1 ILE 49 5.438 8.876 2.734 334 H VAL 50 H VAL 50 8.478 5.183 -1.567 335 HA VAL 50 HA VAL 50 10.999 6.402 -2.083 336 HB VAL 50 HB VAL 50 9.088 5.086 -4.020 337 HG11 VAL 50 1HG1 VAL 50 10.660 5.228 -5.645 338 HG12 VAL 50 2HG1 VAL 50 11.133 6.661 -4.730 339 HG13 VAL 50 3HG1 VAL 50 12.004 5.143 -4.507 340 HG21 VAL 50 1HG2 VAL 50 9.746 3.109 -3.241 341 HG22 VAL 50 2HG2 VAL 50 11.445 3.572 -3.336 342 HG23 VAL 50 3HG2 VAL 50 10.505 3.961 -1.895 343 HA PRO 51 HA PRO 51 9.514 10.357 -3.430 344 HB2 PRO 51 1HB PRO 51 11.872 11.263 -4.424 345 HB3 PRO 51 2HB PRO 51 11.529 11.181 -2.692 346 HG2 PRO 51 1HG PRO 51 13.082 9.281 -4.407 347 HG3 PRO 51 2HG PRO 51 13.459 9.888 -2.784 348 HD2 PRO 51 1HD PRO 51 12.385 7.439 -3.211 349 HD3 PRO 51 2HD PRO 51 12.032 8.397 -1.758 350 H MET 52 H MET 52 8.148 9.505 -5.107 351 HA MET 52 HA MET 52 9.161 8.756 -7.655 352 HB2 MET 52 1HB MET 52 6.480 9.323 -6.497 353 HB3 MET 52 2HB MET 52 6.636 9.397 -8.247 354 HG2 MET 52 1HG MET 52 7.496 7.032 -6.605 355 HG3 MET 52 2HG MET 52 5.894 7.196 -7.320 356 HE1 MET 52 1HE MET 52 9.412 5.302 -9.058 357 HE2 MET 52 2HE MET 52 9.901 6.920 -8.554 358 HE3 MET 52 3HE MET 52 9.089 5.848 -7.412 359 H GLY 53 H GLY 53 7.729 11.753 -6.390 360 HA2 GLY 53 1HA GLY 53 9.226 13.297 -8.327 361 HA3 GLY 53 2HA GLY 53 7.485 13.325 -8.570 362 H LYS 54 H LYS 54 8.203 15.703 -8.219 363 HA LYS 54 HA LYS 54 8.976 16.853 -5.898 364 HB2 LYS 54 1HB LYS 54 6.810 17.688 -7.815 365 HB3 LYS 54 2HB LYS 54 7.265 18.691 -6.444 366 HG2 LYS 54 1HG LYS 54 9.684 18.344 -7.444 367 HG3 LYS 54 2HG LYS 54 8.766 18.072 -8.927 368 HD2 LYS 54 1HD LYS 54 8.127 20.445 -7.236 369 HD3 LYS 54 2HD LYS 54 9.560 20.484 -8.265 370 HE2 LYS 54 1HE LYS 54 6.858 19.708 -9.324 371 HE3 LYS 54 2HE LYS 54 7.375 21.391 -9.237 372 HZ1 LYS 54 1HZ LYS 54 7.843 19.738 -11.311 373 HZ2 LYS 54 2HZ LYS 54 9.301 19.633 -10.461 374 HZ3 LYS 54 3HZ LYS 54 8.730 21.139 -10.977 375 H ASN 55 H ASN 55 5.495 16.518 -6.584 376 HA ASN 55 HA ASN 55 5.055 16.186 -3.695 377 HB2 ASN 55 1HB ASN 55 2.621 16.787 -4.421 378 HB3 ASN 55 2HB ASN 55 3.827 18.065 -4.304 379 HD21 ASN 55 1HD2 ASN 55 3.726 19.444 -5.905 380 HD22 ASN 55 2HD2 ASN 55 3.296 19.087 -7.540 381 H SER 56 H SER 56 5.845 14.022 -5.436 382 HA SER 56 HA SER 56 3.418 12.355 -5.296 383 HB2 SER 56 1HB SER 56 5.751 11.898 -7.163 384 HB3 SER 56 2HB SER 56 4.181 11.095 -7.187 385 HG SER 56 HG SER 56 4.742 13.058 -8.645 386 H HIS 57 H HIS 57 3.518 10.501 -4.160 387 HA HIS 57 HA HIS 57 6.148 9.565 -3.241 388 HB2 HIS 57 1HB HIS 57 3.788 9.483 -1.393 389 HB3 HIS 57 2HB HIS 57 5.505 9.443 -1.004 390 HD1 HIS 57 1HD HIS 57 6.789 11.793 -1.314 391 HD2 HIS 57 2HD HIS 57 2.638 11.952 -1.247 392 HE1 HIS 57 1HE HIS 57 6.216 14.200 -0.865 393 HE2 HIS 57 2HE HIS 57 3.701 14.256 -0.744 394 H CYS 58 H CYS 58 6.400 7.378 -3.119 395 HA CYS 58 HA CYS 58 4.052 5.723 -3.769 396 HB2 CYS 58 1HB CYS 58 5.899 6.164 -5.608 397 HB3 CYS 58 2HB CYS 58 6.769 4.919 -4.720 398 HG CYS 58 HG CYS 58 3.659 3.966 -5.313 399 H VAL 59 H VAL 59 3.623 4.390 -2.152 400 HA VAL 59 HA VAL 59 5.663 3.711 -0.208 401 HB VAL 59 HB VAL 59 2.740 2.959 -0.330 402 HG11 VAL 59 1HG1 VAL 59 4.561 2.712 2.048 403 HG12 VAL 59 2HG1 VAL 59 2.939 2.051 1.834 404 HG13 VAL 59 3HG1 VAL 59 4.292 1.383 0.921 405 HG21 VAL 59 1HG2 VAL 59 3.420 5.405 0.004 406 HG22 VAL 59 2HG2 VAL 59 2.319 4.694 1.184 407 HG23 VAL 59 3HG2 VAL 59 4.027 4.886 1.577 408 H ARG 60 H ARG 60 6.973 2.045 -0.526 409 HA ARG 60 HA ARG 60 6.039 -0.218 -2.147 410 HB2 ARG 60 1HB ARG 60 8.037 0.527 -3.078 411 HB3 ARG 60 2HB ARG 60 8.745 0.900 -1.512 412 HG2 ARG 60 1HG ARG 60 9.285 -1.321 -1.087 413 HG3 ARG 60 2HG ARG 60 8.146 -1.926 -2.293 414 HD2 ARG 60 1HD ARG 60 10.247 -2.201 -3.285 415 HD3 ARG 60 2HD ARG 60 9.608 -0.728 -4.012 416 HE ARG 60 HE ARG 60 11.102 0.018 -1.787 417 HH11 ARG 60 1HH1 ARG 60 11.604 -1.496 -4.881 418 HH12 ARG 60 2HH1 ARG 60 13.230 -0.920 -5.045 419 HH21 ARG 60 1HH2 ARG 60 13.241 0.782 -1.991 420 HH22 ARG 60 2HH2 ARG 60 14.161 0.374 -3.400 421 H PHE 61 H PHE 61 5.465 -2.030 -1.162 422 HA PHE 61 HA PHE 61 6.888 -2.975 1.173 423 HB2 PHE 61 1HB PHE 61 4.981 -3.121 2.632 424 HB3 PHE 61 2HB PHE 61 5.113 -1.455 2.078 425 HD1 PHE 61 1HD PHE 61 3.380 -4.649 1.275 426 HD2 PHE 61 2HD PHE 61 3.255 -0.395 1.213 427 HE1 PHE 61 1HE PHE 61 1.050 -4.733 0.490 428 HE2 PHE 61 2HE PHE 61 0.924 -0.472 0.430 429 HZ PHE 61 HZ PHE 61 -0.182 -2.642 0.068 430 H VAL 62 H VAL 62 6.461 -5.184 1.663 431 HA VAL 62 HA VAL 62 5.298 -6.640 -0.611 432 HB VAL 62 HB VAL 62 7.167 -7.712 1.505 433 HG11 VAL 62 1HG1 VAL 62 7.450 -9.592 0.013 434 HG12 VAL 62 2HG1 VAL 62 5.736 -9.377 0.374 435 HG13 VAL 62 3HG1 VAL 62 6.385 -8.846 -1.178 436 HG21 VAL 62 1HG2 VAL 62 8.069 -7.244 -1.283 437 HG22 VAL 62 2HG2 VAL 62 7.935 -5.843 -0.220 438 HG23 VAL 62 3HG2 VAL 62 8.981 -7.192 0.226 439 HA PRO 63 HA PRO 63 1.987 -7.557 2.284 440 HB2 PRO 63 1HB PRO 63 0.390 -8.744 0.437 441 HB3 PRO 63 2HB PRO 63 0.532 -6.990 0.599 442 HG2 PRO 63 1HG PRO 63 1.867 -8.827 -1.351 443 HG3 PRO 63 2HG PRO 63 1.127 -7.241 -1.635 444 HD2 PRO 63 1HD PRO 63 3.803 -7.577 -1.391 445 HD3 PRO 63 2HD PRO 63 2.973 -6.100 -0.859 446 H GLN 64 H GLN 64 0.509 -9.738 2.260 447 HA GLN 64 HA GLN 64 2.420 -11.981 2.276 448 HB2 GLN 64 1HB GLN 64 0.192 -11.324 4.200 449 HB3 GLN 64 2HB GLN 64 0.962 -12.904 4.137 450 HG2 GLN 64 1HG GLN 64 2.402 -10.315 4.663 451 HG3 GLN 64 2HG GLN 64 1.857 -11.439 5.907 452 HE21 GLN 64 1HE2 GLN 64 4.028 -11.011 3.193 453 HE22 GLN 64 2HE2 GLN 64 5.142 -12.252 3.643 454 H GLU 65 H GLU 65 1.255 -14.157 2.255 455 HA GLU 65 HA GLU 65 -0.483 -14.182 -0.049 456 HB2 GLU 65 1HB GLU 65 -0.184 -16.552 -0.057 457 HB3 GLU 65 2HB GLU 65 1.376 -15.830 0.313 458 HG2 GLU 65 1HG GLU 65 1.041 -16.308 2.682 459 HG3 GLU 65 2HG GLU 65 -0.525 -17.029 2.315 460 H MET 66 H MET 66 -2.628 -14.496 -0.088 461 HA MET 66 HA MET 66 -4.772 -14.483 0.703 462 HB2 MET 66 1HB MET 66 -4.020 -16.645 2.624 463 HB3 MET 66 2HB MET 66 -5.435 -16.514 1.588 464 HG2 MET 66 1HG MET 66 -2.646 -17.072 0.607 465 HG3 MET 66 2HG MET 66 -3.868 -18.303 0.921 466 HE1 MET 66 1HE MET 66 -2.820 -16.687 -2.820 467 HE2 MET 66 2HE MET 66 -3.184 -15.195 -1.954 468 HE3 MET 66 3HE MET 66 -2.087 -16.381 -1.245 469 H GLY 67 H GLY 67 -3.532 -12.441 1.869 470 HA2 GLY 67 1HA GLY 67 -4.716 -12.430 4.545 471 HA3 GLY 67 2HA GLY 67 -3.008 -12.037 4.415 472 H VAL 68 H VAL 68 -5.652 -10.545 5.070 473 HA VAL 68 HA VAL 68 -5.467 -8.370 3.127 474 HB VAL 68 HB VAL 68 -7.389 -8.749 5.428 475 HG11 VAL 68 1HG1 VAL 68 -8.126 -6.939 3.254 476 HG12 VAL 68 2HG1 VAL 68 -8.266 -6.733 5.001 477 HG13 VAL 68 3HG1 VAL 68 -6.735 -6.397 4.192 478 HG21 VAL 68 1HG2 VAL 68 -8.187 -8.906 2.563 479 HG22 VAL 68 2HG2 VAL 68 -7.395 -10.299 3.299 480 HG23 VAL 68 3HG2 VAL 68 -8.901 -9.681 3.977 481 H HIS 69 H HIS 69 -4.127 -6.742 3.497 482 HA HIS 69 HA HIS 69 -3.368 -6.127 6.270 483 HB2 HIS 69 1HB HIS 69 -1.947 -5.215 3.767 484 HB3 HIS 69 2HB HIS 69 -1.342 -5.186 5.421 485 HD1 HIS 69 1HD HIS 69 -2.717 -7.968 3.203 486 HD2 HIS 69 2HD HIS 69 0.511 -7.121 5.677 487 HE1 HIS 69 1HE HIS 69 -1.293 -10.040 3.182 488 HE2 HIS 69 2HE HIS 69 0.610 -9.535 4.753 489 H THR 70 H THR 70 -2.831 -3.759 6.635 490 HA THR 70 HA THR 70 -4.640 -1.983 5.154 491 HB THR 70 HB THR 70 -4.448 -1.802 8.150 492 HG1 THR 70 1HG THR 70 -5.337 -3.906 7.216 493 HG21 THR 70 1HG2 THR 70 -6.779 -1.017 6.443 494 HG22 THR 70 2HG2 THR 70 -5.366 0.033 6.544 495 HG23 THR 70 3HG2 THR 70 -6.268 -0.374 8.003 496 H VAL 71 H VAL 71 -3.737 -0.095 4.627 497 HA VAL 71 HA VAL 71 -1.088 0.519 5.697 498 HB VAL 71 HB VAL 71 -2.549 1.846 3.411 499 HG11 VAL 71 1HG1 VAL 71 -0.215 2.565 4.829 500 HG12 VAL 71 2HG1 VAL 71 0.294 1.983 3.243 501 HG13 VAL 71 3HG1 VAL 71 -0.873 3.300 3.368 502 HG21 VAL 71 1HG2 VAL 71 -2.218 -0.151 2.418 503 HG22 VAL 71 2HG2 VAL 71 -0.565 0.438 2.243 504 HG23 VAL 71 3HG2 VAL 71 -0.980 -0.641 3.575 505 H SER 72 H SER 72 -0.984 1.811 7.405 506 HA SER 72 HA SER 72 -3.086 3.805 7.835 507 HB2 SER 72 1HB SER 72 -0.918 2.817 9.704 508 HB3 SER 72 2HB SER 72 -2.190 3.961 10.129 509 HG SER 72 HG SER 72 -3.712 2.316 9.696 510 H VAL 73 H VAL 73 -2.519 5.478 6.493 511 HA VAL 73 HA VAL 73 0.180 6.589 6.700 512 HB VAL 73 HB VAL 73 -2.059 7.456 4.868 513 HG11 VAL 73 1HG1 VAL 73 -0.044 8.331 3.556 514 HG12 VAL 73 2HG1 VAL 73 -0.522 9.216 5.006 515 HG13 VAL 73 3HG1 VAL 73 0.861 8.122 5.054 516 HG21 VAL 73 1HG2 VAL 73 0.143 6.050 3.618 517 HG22 VAL 73 2HG2 VAL 73 -0.695 5.041 4.797 518 HG23 VAL 73 3HG2 VAL 73 -1.594 5.781 3.473 519 H LYS 74 H LYS 74 0.374 7.835 8.468 520 HA LYS 74 HA LYS 74 -1.737 9.813 9.013 521 HB2 LYS 74 1HB LYS 74 0.194 8.354 10.770 522 HB3 LYS 74 2HB LYS 74 -0.384 9.938 11.269 523 HG2 LYS 74 1HG LYS 74 -2.732 8.848 10.713 524 HG3 LYS 74 2HG LYS 74 -1.838 7.364 11.054 525 HD2 LYS 74 1HD LYS 74 -1.330 8.056 13.251 526 HD3 LYS 74 2HD LYS 74 -1.802 9.723 12.919 527 HE2 LYS 74 1HE LYS 74 -3.648 8.991 14.059 528 HE3 LYS 74 2HE LYS 74 -4.130 8.616 12.405 529 HZ1 LYS 74 1HZ LYS 74 -3.476 6.343 12.729 530 HZ2 LYS 74 2HZ LYS 74 -4.542 6.783 13.966 531 HZ3 LYS 74 3HZ LYS 74 -2.882 6.679 14.278 532 H TYR 75 H TYR 75 -1.163 11.967 9.468 533 HA TYR 75 HA TYR 75 1.582 12.727 8.724 534 HB2 TYR 75 1HB TYR 75 0.527 13.400 6.795 535 HB3 TYR 75 2HB TYR 75 -1.011 13.679 7.603 536 HD1 TYR 75 1HD TYR 75 2.455 15.060 7.448 537 HD2 TYR 75 2HD TYR 75 -1.688 15.859 7.996 538 HE1 TYR 75 1HE TYR 75 2.935 17.471 7.511 539 HE2 TYR 75 2HE TYR 75 -1.220 18.273 8.059 540 HH TYR 75 HH TYR 75 1.737 19.559 8.561 541 H ARG 76 H ARG 76 2.434 13.451 10.569 542 HA ARG 76 HA ARG 76 2.775 14.690 12.446 543 HB2 ARG 76 1HB ARG 76 0.952 16.387 10.819 544 HB3 ARG 76 2HB ARG 76 1.187 16.834 12.503 545 HG2 ARG 76 1HG ARG 76 3.728 16.560 11.870 546 HG3 ARG 76 2HG ARG 76 3.113 16.861 10.244 547 HD2 ARG 76 1HD ARG 76 3.794 18.945 11.266 548 HD3 ARG 76 2HD ARG 76 2.044 18.924 11.054 549 HE ARG 76 HE ARG 76 2.329 18.040 13.576 550 HH11 ARG 76 1HH1 ARG 76 3.651 20.783 11.890 551 HH12 ARG 76 2HH1 ARG 76 3.742 21.776 13.307 552 HH21 ARG 76 1HH2 ARG 76 2.443 19.336 15.449 553 HH22 ARG 76 2HH2 ARG 76 3.055 20.951 15.331 554 H GLY 77 H GLY 77 0.765 12.550 12.428 555 HA2 GLY 77 1HA GLY 77 -0.483 11.621 14.156 556 HA3 GLY 77 2HA GLY 77 -0.436 13.169 14.986 557 H GLN 78 H GLN 78 -1.553 12.597 11.689 558 HA GLN 78 HA GLN 78 -4.333 12.775 12.477 559 HB2 GLN 78 1HB GLN 78 -3.002 14.940 10.844 560 HB3 GLN 78 2HB GLN 78 -4.744 14.734 10.968 561 HG2 GLN 78 1HG GLN 78 -4.526 15.018 13.436 562 HG3 GLN 78 2HG GLN 78 -2.829 15.420 13.181 563 HE21 GLN 78 1HE2 GLN 78 -3.520 17.420 14.262 564 HE22 GLN 78 2HE2 GLN 78 -4.177 18.691 13.294 565 H HIS 79 H HIS 79 -5.173 11.145 11.362 566 HA HIS 79 HA HIS 79 -4.120 9.911 9.128 567 HB2 HIS 79 1HB HIS 79 -6.855 10.022 10.328 568 HB3 HIS 79 2HB HIS 79 -6.656 9.268 8.749 569 HD1 HIS 79 1HD HIS 79 -4.247 7.591 8.976 570 HD2 HIS 79 2HD HIS 79 -6.880 8.047 12.158 571 HE1 HIS 79 1HE HIS 79 -3.868 5.592 10.454 572 HE2 HIS 79 2HE HIS 79 -5.532 5.846 12.328 573 H VAL 80 H VAL 80 -4.308 10.143 6.945 574 HA VAL 80 HA VAL 80 -5.118 12.740 5.981 575 HB VAL 80 HB VAL 80 -4.200 12.085 3.859 576 HG11 VAL 80 1HG1 VAL 80 -2.365 12.706 5.026 577 HG12 VAL 80 2HG1 VAL 80 -2.677 11.565 6.335 578 HG13 VAL 80 3HG1 VAL 80 -1.943 11.005 4.832 579 HG21 VAL 80 1HG2 VAL 80 -3.335 9.398 4.604 580 HG22 VAL 80 2HG2 VAL 80 -5.086 9.564 4.470 581 HG23 VAL 80 3HG2 VAL 80 -4.054 9.983 3.103 582 H THR 81 H THR 81 -6.188 12.541 3.617 583 HA THR 81 HA THR 81 -8.876 11.783 4.093 584 HB THR 81 HB THR 81 -7.536 12.496 1.477 585 HG1 THR 81 1HG THR 81 -8.645 13.989 3.582 586 HG21 THR 81 1HG2 THR 81 -9.896 11.278 1.626 587 HG22 THR 81 2HG2 THR 81 -9.583 12.569 0.465 588 HG23 THR 81 3HG2 THR 81 -10.435 12.920 1.969 589 H GLY 82 H GLY 82 -9.566 9.747 4.175 590 HA2 GLY 82 1HA GLY 82 -10.203 7.786 2.934 591 HA3 GLY 82 2HA GLY 82 -8.690 7.906 2.049 592 H SER 83 H SER 83 -6.841 8.156 4.037 593 HA SER 83 HA SER 83 -6.369 5.541 4.817 594 HB2 SER 83 1HB SER 83 -4.520 7.019 4.821 595 HB3 SER 83 2HB SER 83 -5.334 8.165 5.886 596 HG SER 83 HG SER 83 -5.225 6.517 7.525 597 HA PRO 84 HA PRO 84 -5.315 4.383 6.456 598 HB2 PRO 84 1HB PRO 84 -6.245 1.959 7.250 599 HB3 PRO 84 2HB PRO 84 -5.459 3.095 8.353 600 HG2 PRO 84 1HG PRO 84 -8.377 2.572 7.935 601 HG3 PRO 84 2HG PRO 84 -7.486 2.800 9.452 602 HD2 PRO 84 1HD PRO 84 -8.949 4.773 8.311 603 HD3 PRO 84 2HD PRO 84 -7.476 5.096 9.247 604 H PHE 85 H PHE 85 -5.086 2.540 4.951 605 HA PHE 85 HA PHE 85 -7.396 2.335 3.134 606 HB2 PHE 85 1HB PHE 85 -4.475 2.243 2.356 607 HB3 PHE 85 2HB PHE 85 -5.856 2.218 1.264 608 HD1 PHE 85 2HD PHE 85 -7.302 4.252 1.084 609 HD2 PHE 85 1HD PHE 85 -3.578 4.264 3.145 610 HE1 PHE 85 2HE PHE 85 -7.238 6.708 0.948 611 HE2 PHE 85 1HE PHE 85 -3.509 6.720 3.013 612 HZ PHE 85 HZ PHE 85 -5.340 7.945 1.912 613 H GLN 86 H GLN 86 -8.248 0.371 3.232 614 HA GLN 86 HA GLN 86 -6.580 -1.910 3.953 615 HB2 GLN 86 1HB GLN 86 -8.983 -1.306 4.861 616 HB3 GLN 86 2HB GLN 86 -9.509 -2.145 3.407 617 HG2 GLN 86 1HG GLN 86 -7.942 -4.033 4.216 618 HG3 GLN 86 2HG GLN 86 -8.038 -3.216 5.775 619 HE21 GLN 86 1HE2 GLN 86 -10.047 -3.079 6.828 620 HE22 GLN 86 2HE2 GLN 86 -11.337 -4.163 6.446 621 H PHE 87 H PHE 87 -6.090 -3.571 2.617 622 HA PHE 87 HA PHE 87 -7.369 -3.751 0.004 623 HB2 PHE 87 1HB PHE 87 -5.300 -3.711 -1.230 624 HB3 PHE 87 2HB PHE 87 -5.389 -2.246 -0.257 625 HD1 PHE 87 2HD PHE 87 -3.897 -5.635 -0.374 626 HD2 PHE 87 1HD PHE 87 -3.695 -1.709 1.256 627 HE1 PHE 87 2HE PHE 87 -1.701 -6.158 0.604 628 HE2 PHE 87 1HE PHE 87 -1.498 -2.225 2.236 629 HZ PHE 87 HZ PHE 87 -0.499 -4.452 1.912 630 H THR 88 H THR 88 -7.546 -5.801 -0.726 631 HA THR 88 HA THR 88 -6.527 -7.914 1.017 632 HB THR 88 HB THR 88 -8.423 -8.268 -1.302 633 HG1 THR 88 1HG THR 88 -9.118 -6.705 0.400 634 HG21 THR 88 1HG2 THR 88 -8.263 -10.415 -0.722 635 HG22 THR 88 2HG2 THR 88 -8.988 -10.004 0.833 636 HG23 THR 88 3HG2 THR 88 -7.234 -10.010 0.652 637 H VAL 89 H VAL 89 -5.062 -9.411 0.404 638 HA VAL 89 HA VAL 89 -3.728 -8.998 -2.159 639 HB VAL 89 HB VAL 89 -2.853 -10.898 0.007 640 HG11 VAL 89 1HG1 VAL 89 -1.022 -9.375 -1.779 641 HG12 VAL 89 2HG1 VAL 89 -0.833 -10.979 -1.068 642 HG13 VAL 89 3HG1 VAL 89 -1.908 -10.746 -2.447 643 HG21 VAL 89 1HG2 VAL 89 -3.241 -8.539 0.851 644 HG22 VAL 89 2HG2 VAL 89 -1.615 -9.188 1.068 645 HG23 VAL 89 3HG2 VAL 89 -1.940 -8.041 -0.231 646 H GLY 90 H GLY 90 -3.535 -10.540 -3.740 647 HA2 GLY 90 1HA GLY 90 -5.157 -12.981 -3.354 648 HA3 GLY 90 2HA GLY 90 -5.088 -12.098 -4.873 649 HA PRO 91 HA PRO 91 -2.104 -15.578 -5.250 650 HB2 PRO 91 1HB PRO 91 -2.687 -16.076 -7.854 651 HB3 PRO 91 2HB PRO 91 -3.617 -16.758 -6.515 652 HG2 PRO 91 1HG PRO 91 -4.230 -14.384 -8.232 653 HG3 PRO 91 2HG PRO 91 -5.314 -15.673 -7.676 654 HD2 PRO 91 1HD PRO 91 -5.226 -13.235 -6.500 655 HD3 PRO 91 2HD PRO 91 -5.585 -14.719 -5.595 656 H LEU 92 H LEU 92 -0.051 -15.416 -5.985 657 HA LEU 92 HA LEU 92 1.134 -13.068 -6.675 658 HB2 LEU 92 1HB LEU 92 2.604 -14.754 -6.113 659 HB3 LEU 92 2HB LEU 92 1.855 -15.913 -7.208 660 HG LEU 92 HG LEU 92 2.831 -14.452 -9.089 661 HD11 LEU 92 1HD1 LEU 92 3.801 -12.572 -8.386 662 HD12 LEU 92 2HD1 LEU 92 5.137 -13.597 -7.865 663 HD13 LEU 92 3HD1 LEU 92 3.881 -13.134 -6.716 664 HD21 LEU 92 1HD2 LEU 92 4.211 -16.374 -7.303 665 HD22 LEU 92 2HD2 LEU 92 5.194 -15.517 -8.492 666 HD23 LEU 92 3HD2 LEU 92 3.823 -16.495 -9.019 667 H GLY 93 H GLY 93 0.343 -15.621 -9.049 668 HA2 GLY 93 1HA GLY 93 -0.990 -14.746 -11.009 669 HA3 GLY 93 2HA GLY 93 0.251 -13.507 -11.110 670 H GLU 94 H GLU 94 1.719 -13.851 -12.626 671 HA GLU 94 HA GLU 94 1.907 -15.994 -14.292 672 HB2 GLU 94 1HB GLU 94 4.048 -14.079 -13.381 673 HB3 GLU 94 2HB GLU 94 4.339 -15.283 -14.628 674 HG2 GLU 94 1HG GLU 94 2.322 -14.280 -15.823 675 HG3 GLU 94 2HG GLU 94 2.483 -12.933 -14.697 676 H GLY 95 H GLY 95 1.893 -18.041 -13.516 677 HA2 GLY 95 1HA GLY 95 3.799 -18.790 -11.425 678 HA3 GLY 95 2HA GLY 95 2.467 -19.774 -12.014 679 H GLY 96 H GLY 96 2.911 -21.361 -13.413 680 HA2 GLY 96 1HA GLY 96 4.792 -21.299 -15.468 681 HA3 GLY 96 2HA GLY 96 5.593 -21.990 -14.064 682 H SER 97 H SER 97 5.471 -24.119 -13.841 683 HA SER 97 HA SER 97 4.831 -26.287 -14.097 684 HB2 SER 97 1HB SER 97 2.681 -25.241 -13.108 685 HB3 SER 97 2HB SER 97 2.045 -25.350 -14.750 686 HG SER 97 HG SER 97 1.929 -27.221 -13.032 687 H GLY 98 H GLY 98 5.938 -24.997 -16.323 688 HA2 GLY 98 1HA GLY 98 4.549 -25.232 -18.722 689 HA3 GLY 98 2HA GLY 98 6.293 -25.369 -18.559 690 HA PRO 99 HA PRO 99 4.673 -29.419 -20.118 691 HB2 PRO 99 1HB PRO 99 6.578 -29.707 -22.031 692 HB3 PRO 99 2HB PRO 99 5.075 -28.816 -22.298 693 HG2 PRO 99 1HG PRO 99 7.804 -27.774 -21.646 694 HG3 PRO 99 2HG PRO 99 6.624 -27.163 -22.820 695 HD2 PRO 99 1HD PRO 99 6.972 -26.036 -20.382 696 HD3 PRO 99 2HD PRO 99 5.400 -26.063 -21.206 697 H SER 100 H SER 100 5.734 -31.505 -20.097 698 HA SER 100 HA SER 100 7.192 -32.116 -17.907 699 HB2 SER 100 1HB SER 100 7.704 -34.220 -18.890 700 HB3 SER 100 2HB SER 100 6.177 -33.716 -19.615 701 HG SER 100 HG SER 100 7.471 -34.381 -21.274 702 H SER 101 H SER 101 9.075 -31.424 -17.167 703 HA SER 101 HA SER 101 11.404 -31.392 -18.897 704 HB2 SER 101 1HB SER 101 10.436 -28.897 -17.481 705 HB3 SER 101 2HB SER 101 12.020 -29.070 -18.236 706 HG SER 101 HG SER 101 9.592 -28.574 -19.374 707 H GLY 102 H GLY 102 12.773 -32.610 -17.774 708 HA2 GLY 102 1HA GLY 102 13.038 -32.077 -14.879 709 HA3 GLY 102 2HA GLY 102 13.111 -33.701 -15.547 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -26.238 -1.938 13.791 2 HA2 GLY 1 1HA GLY 1 -24.047 -1.295 12.240 3 HA3 GLY 1 2HA GLY 1 -24.496 -2.938 12.675 4 H SER 2 H SER 2 -23.403 -3.221 10.496 5 HA SER 2 HA SER 2 -25.489 -3.495 8.499 6 HB2 SER 2 1HB SER 2 -24.348 -1.211 8.196 7 HB3 SER 2 2HB SER 2 -22.930 -2.126 7.683 8 HG SER 2 HG SER 2 -23.867 -2.128 5.806 9 H SER 3 H SER 3 -25.248 -5.310 7.334 10 HA SER 3 HA SER 3 -23.048 -7.059 7.968 11 HB2 SER 3 1HB SER 3 -25.582 -7.332 6.381 12 HB3 SER 3 2HB SER 3 -24.317 -8.553 6.243 13 HG SER 3 HG SER 3 -25.157 -7.746 8.792 14 H GLY 4 H GLY 4 -24.426 -5.959 4.859 15 HA2 GLY 4 1HA GLY 4 -23.150 -4.994 3.103 16 HA3 GLY 4 2HA GLY 4 -21.697 -5.670 3.823 17 H SER 5 H SER 5 -21.063 -6.531 1.811 18 HA SER 5 HA SER 5 -22.633 -8.881 0.973 19 HB2 SER 5 1HB SER 5 -21.602 -8.519 -1.304 20 HB3 SER 5 2HB SER 5 -22.741 -7.269 -0.801 21 HG SER 5 HG SER 5 -21.096 -5.883 -0.464 22 H SER 6 H SER 6 -21.611 -10.796 0.883 23 HA SER 6 HA SER 6 -18.681 -10.816 1.181 24 HB2 SER 6 1HB SER 6 -20.138 -11.389 3.282 25 HB3 SER 6 2HB SER 6 -20.371 -12.935 2.467 26 HG SER 6 HG SER 6 -18.556 -12.939 3.880 27 H GLY 7 H GLY 7 -17.584 -12.238 -0.069 28 HA2 GLY 7 1HA GLY 7 -18.214 -14.660 -1.058 29 HA3 GLY 7 2HA GLY 7 -19.083 -13.590 -2.149 30 H ARG 8 H ARG 8 -17.960 -13.767 -4.003 31 HA ARG 8 HA ARG 8 -15.077 -13.833 -4.020 32 HB2 ARG 8 1HB ARG 8 -15.273 -14.074 -6.415 33 HB3 ARG 8 2HB ARG 8 -16.442 -15.132 -5.635 34 HG2 ARG 8 1HG ARG 8 -18.220 -13.536 -6.101 35 HG3 ARG 8 2HG ARG 8 -17.053 -12.447 -6.853 36 HD2 ARG 8 1HD ARG 8 -17.935 -13.527 -8.689 37 HD3 ARG 8 2HD ARG 8 -16.509 -14.506 -8.349 38 HE ARG 8 HE ARG 8 -18.570 -15.669 -6.942 39 HH11 ARG 8 1HH1 ARG 8 -17.879 -14.934 -10.274 40 HH12 ARG 8 2HH1 ARG 8 -18.794 -16.269 -10.894 41 HH21 ARG 8 1HH2 ARG 8 -19.777 -17.430 -7.746 42 HH22 ARG 8 2HH2 ARG 8 -19.874 -17.687 -9.455 43 H ALA 9 H ALA 9 -13.689 -12.238 -4.670 44 HA ALA 9 HA ALA 9 -14.690 -9.728 -5.703 45 HB1 ALA 9 1HB ALA 9 -15.054 -9.138 -3.483 46 HB2 ALA 9 2HB ALA 9 -13.613 -9.986 -2.919 47 HB3 ALA 9 3HB ALA 9 -13.453 -8.479 -3.821 48 HA PRO 10 HA PRO 10 -10.758 -9.713 -7.665 49 HB2 PRO 10 1HB PRO 10 -10.470 -7.057 -8.149 50 HB3 PRO 10 2HB PRO 10 -11.603 -8.079 -9.042 51 HG2 PRO 10 1HG PRO 10 -12.125 -6.231 -6.746 52 HG3 PRO 10 2HG PRO 10 -13.067 -6.466 -8.231 53 HD2 PRO 10 1HD PRO 10 -13.767 -7.589 -5.868 54 HD3 PRO 10 2HD PRO 10 -14.091 -8.369 -7.430 55 H SER 11 H SER 11 -8.559 -8.871 -7.490 56 HA SER 11 HA SER 11 -7.945 -7.877 -4.784 57 HB2 SER 11 1HB SER 11 -7.334 -10.342 -5.466 58 HB3 SER 11 2HB SER 11 -5.993 -9.565 -6.307 59 HG SER 11 HG SER 11 -6.589 -9.080 -3.582 60 H VAL 12 H VAL 12 -6.787 -6.065 -4.672 61 HA VAL 12 HA VAL 12 -5.880 -4.820 -7.128 62 HB VAL 12 HB VAL 12 -5.446 -2.847 -5.770 63 HG11 VAL 12 1HG1 VAL 12 -8.047 -3.700 -4.656 64 HG12 VAL 12 2HG1 VAL 12 -7.626 -2.262 -5.588 65 HG13 VAL 12 3HG1 VAL 12 -7.866 -3.806 -6.407 66 HG21 VAL 12 1HG2 VAL 12 -4.588 -3.668 -3.750 67 HG22 VAL 12 2HG2 VAL 12 -6.149 -2.973 -3.313 68 HG23 VAL 12 3HG2 VAL 12 -5.978 -4.720 -3.484 69 H ALA 13 H ALA 13 -4.485 -6.071 -4.134 70 HA ALA 13 HA ALA 13 -1.792 -5.567 -5.192 71 HB1 ALA 13 1HB ALA 13 -1.107 -6.207 -2.818 72 HB2 ALA 13 2HB ALA 13 -1.951 -4.673 -3.033 73 HB3 ALA 13 3HB ALA 13 -2.820 -6.079 -2.419 74 H THR 14 H THR 14 -0.278 -7.210 -5.385 75 HA THR 14 HA THR 14 -1.416 -9.919 -5.466 76 HB THR 14 HB THR 14 1.079 -8.890 -6.832 77 HG1 THR 14 1HG THR 14 -0.467 -9.329 -8.710 78 HG21 THR 14 1HG2 THR 14 1.395 -11.185 -6.637 79 HG22 THR 14 2HG2 THR 14 0.599 -11.042 -8.205 80 HG23 THR 14 3HG2 THR 14 -0.326 -11.535 -6.787 81 H VAL 15 H VAL 15 -0.144 -11.707 -4.740 82 HA VAL 15 HA VAL 15 1.280 -11.140 -2.310 83 HB VAL 15 HB VAL 15 -0.165 -13.075 -2.372 84 HG11 VAL 15 1HG1 VAL 15 0.924 -15.057 -3.814 85 HG12 VAL 15 2HG1 VAL 15 -0.326 -13.980 -4.440 86 HG13 VAL 15 3HG1 VAL 15 1.370 -13.681 -4.823 87 HG21 VAL 15 1HG2 VAL 15 2.020 -14.794 -2.145 88 HG22 VAL 15 2HG2 VAL 15 2.641 -13.201 -1.712 89 HG23 VAL 15 3HG2 VAL 15 1.254 -13.871 -0.852 90 H GLY 16 H GLY 16 3.434 -11.283 -1.904 91 HA2 GLY 16 1HA GLY 16 5.688 -11.659 -2.283 92 HA3 GLY 16 2HA GLY 16 5.263 -12.486 -3.774 93 H SER 17 H SER 17 3.864 -10.467 -5.082 94 HA SER 17 HA SER 17 6.006 -8.966 -6.174 95 HB2 SER 17 1HB SER 17 3.031 -8.550 -6.550 96 HB3 SER 17 2HB SER 17 4.310 -7.928 -7.592 97 HG SER 17 HG SER 17 4.887 -10.293 -7.754 98 H ILE 18 H ILE 18 6.616 -6.875 -5.901 99 HA ILE 18 HA ILE 18 6.062 -5.598 -3.454 100 HB ILE 18 HB ILE 18 7.251 -4.379 -5.949 101 HG12 ILE 18 1HG1 ILE 18 8.473 -6.380 -5.210 102 HG13 ILE 18 2HG1 ILE 18 9.421 -4.921 -4.945 103 HG21 ILE 18 1HG2 ILE 18 6.738 -2.575 -4.586 104 HG22 ILE 18 2HG2 ILE 18 7.060 -3.473 -3.104 105 HG23 ILE 18 3HG2 ILE 18 8.399 -2.947 -4.125 106 HD11 ILE 18 1HD1 ILE 18 9.766 -5.794 -2.919 107 HD12 ILE 18 2HD1 ILE 18 8.154 -5.174 -2.561 108 HD13 ILE 18 3HD1 ILE 18 8.366 -6.861 -3.030 109 H CYS 19 H CYS 19 4.495 -4.254 -2.849 110 HA CYS 19 HA CYS 19 2.531 -3.416 -4.838 111 HB2 CYS 19 1HB CYS 19 1.819 -4.545 -2.717 112 HB3 CYS 19 2HB CYS 19 2.402 -3.142 -1.830 113 HG CYS 19 HG CYS 19 0.599 -1.439 -3.403 114 H ASP 20 H ASP 20 2.464 -1.423 -5.625 115 HA ASP 20 HA ASP 20 4.019 0.670 -4.264 116 HB2 ASP 20 1HB ASP 20 3.042 0.877 -7.097 117 HB3 ASP 20 2HB ASP 20 4.419 1.673 -6.340 118 H LEU 21 H LEU 21 2.978 2.292 -3.321 119 HA LEU 21 HA LEU 21 0.140 2.701 -3.985 120 HB2 LEU 21 1HB LEU 21 1.058 2.054 -1.597 121 HB3 LEU 21 2HB LEU 21 1.359 3.788 -1.496 122 HG LEU 21 HG LEU 21 -1.083 4.129 -2.019 123 HD11 LEU 21 1HD1 LEU 21 -1.542 1.950 -2.996 124 HD12 LEU 21 2HD1 LEU 21 -2.582 2.241 -1.603 125 HD13 LEU 21 3HD1 LEU 21 -1.190 1.169 -1.455 126 HD21 LEU 21 1HD2 LEU 21 -1.490 2.803 0.413 127 HD22 LEU 21 2HD2 LEU 21 -1.081 4.501 0.169 128 HD23 LEU 21 3HD2 LEU 21 0.199 3.312 0.419 129 H ASN 22 H ASN 22 0.026 4.297 -5.446 130 HA ASN 22 HA ASN 22 1.819 6.572 -5.313 131 HB2 ASN 22 1HB ASN 22 -0.497 6.250 -7.215 132 HB3 ASN 22 2HB ASN 22 0.975 7.191 -7.436 133 HD21 ASN 22 1HD2 ASN 22 -0.347 3.952 -7.281 134 HD22 ASN 22 2HD2 ASN 22 0.922 3.187 -8.170 135 H LEU 23 H LEU 23 1.383 8.406 -4.289 136 HA LEU 23 HA LEU 23 -1.423 9.149 -3.831 137 HB2 LEU 23 1HB LEU 23 0.795 8.946 -1.833 138 HB3 LEU 23 2HB LEU 23 -0.522 10.091 -1.590 139 HG LEU 23 HG LEU 23 -1.189 7.230 -2.097 140 HD11 LEU 23 1HD1 LEU 23 0.653 7.327 -0.374 141 HD12 LEU 23 2HD1 LEU 23 -0.861 6.591 0.152 142 HD13 LEU 23 3HD1 LEU 23 -0.465 8.238 0.641 143 HD21 LEU 23 1HD2 LEU 23 -2.895 9.052 -1.921 144 HD22 LEU 23 2HD2 LEU 23 -2.401 9.271 -0.242 145 HD23 LEU 23 3HD2 LEU 23 -3.099 7.737 -0.763 146 H LYS 24 H LYS 24 -1.812 11.068 -4.691 147 HA LYS 24 HA LYS 24 0.414 12.924 -5.120 148 HB2 LYS 24 1HB LYS 24 -0.642 12.767 -7.148 149 HB3 LYS 24 2HB LYS 24 -2.217 12.461 -6.427 150 HG2 LYS 24 1HG LYS 24 -2.712 14.673 -6.221 151 HG3 LYS 24 2HG LYS 24 -1.021 15.150 -6.049 152 HD2 LYS 24 1HD LYS 24 -1.628 15.956 -8.158 153 HD3 LYS 24 2HD LYS 24 -0.777 14.450 -8.505 154 HE2 LYS 24 1HE LYS 24 -3.757 14.511 -8.183 155 HE3 LYS 24 2HE LYS 24 -3.001 14.924 -9.720 156 HZ1 LYS 24 1HZ LYS 24 -1.853 12.549 -8.795 157 HZ2 LYS 24 2HZ LYS 24 -2.823 12.777 -10.161 158 HZ3 LYS 24 3HZ LYS 24 -3.533 12.381 -8.678 159 H ILE 25 H ILE 25 0.677 13.976 -3.196 160 HA ILE 25 HA ILE 25 -1.458 15.825 -2.458 161 HB ILE 25 HB ILE 25 -0.087 14.083 -0.406 162 HG12 ILE 25 1HG1 ILE 25 -3.012 14.071 -1.142 163 HG13 ILE 25 2HG1 ILE 25 -1.849 12.981 -1.890 164 HG21 ILE 25 1HG2 ILE 25 -2.420 15.442 0.533 165 HG22 ILE 25 2HG2 ILE 25 -0.761 15.546 1.119 166 HG23 ILE 25 3HG2 ILE 25 -1.306 16.610 -0.178 167 HD11 ILE 25 1HD1 ILE 25 -3.157 12.031 0.021 168 HD12 ILE 25 2HD1 ILE 25 -1.403 11.910 0.173 169 HD13 ILE 25 3HD1 ILE 25 -2.284 13.141 1.077 170 HA PRO 26 HA PRO 26 2.381 18.193 -2.560 171 HB2 PRO 26 1HB PRO 26 1.142 20.604 -2.709 172 HB3 PRO 26 2HB PRO 26 1.373 19.554 -4.112 173 HG2 PRO 26 1HG PRO 26 -1.057 19.924 -2.403 174 HG3 PRO 26 2HG PRO 26 -0.939 19.802 -4.168 175 HD2 PRO 26 1HD PRO 26 -1.689 17.718 -2.611 176 HD3 PRO 26 2HD PRO 26 -0.788 17.502 -4.125 177 H GLU 27 H GLU 27 -0.451 18.778 -0.523 178 HA GLU 27 HA GLU 27 0.719 20.538 1.312 179 HB2 GLU 27 1HB GLU 27 -1.757 19.779 1.020 180 HB3 GLU 27 2HB GLU 27 -1.322 18.508 2.153 181 HG2 GLU 27 1HG GLU 27 -0.540 20.310 3.715 182 HG3 GLU 27 2HG GLU 27 -1.267 21.476 2.612 183 H ILE 28 H ILE 28 0.438 16.996 1.399 184 HA ILE 28 HA ILE 28 2.142 16.883 3.759 185 HB ILE 28 HB ILE 28 0.824 14.649 2.209 186 HG12 ILE 28 1HG1 ILE 28 0.052 15.642 4.944 187 HG13 ILE 28 2HG1 ILE 28 -0.621 16.367 3.488 188 HG21 ILE 28 1HG2 ILE 28 2.657 14.704 4.534 189 HG22 ILE 28 2HG2 ILE 28 1.311 13.568 4.594 190 HG23 ILE 28 3HG2 ILE 28 2.469 13.493 3.266 191 HD11 ILE 28 1HD1 ILE 28 -2.051 14.628 4.523 192 HD12 ILE 28 2HD1 ILE 28 -1.619 14.295 2.845 193 HD13 ILE 28 3HD1 ILE 28 -0.800 13.441 4.153 194 H ASN 29 H ASN 29 4.106 15.727 3.838 195 HA ASN 29 HA ASN 29 5.382 15.299 1.216 196 HB2 ASN 29 1HB ASN 29 6.326 16.772 3.624 197 HB3 ASN 29 2HB ASN 29 7.522 15.844 2.724 198 HD21 ASN 29 1HD2 ASN 29 8.228 18.229 2.622 199 HD22 ASN 29 2HD2 ASN 29 7.733 19.085 1.205 200 H SER 30 H SER 30 6.570 13.468 0.939 201 HA SER 30 HA SER 30 6.016 11.191 2.381 202 HB2 SER 30 1HB SER 30 7.959 10.169 1.256 203 HB3 SER 30 2HB SER 30 7.005 11.143 0.138 204 HG SER 30 HG SER 30 8.985 11.864 -0.256 205 H SER 31 H SER 31 8.833 13.327 2.706 206 HA SER 31 HA SER 31 10.223 11.894 4.642 207 HB2 SER 31 1HB SER 31 10.076 14.910 4.429 208 HB3 SER 31 2HB SER 31 11.376 13.964 5.153 209 HG SER 31 HG SER 31 11.570 12.997 2.974 210 H ASP 32 H ASP 32 7.621 14.257 5.003 211 HA ASP 32 HA ASP 32 7.659 13.964 7.899 212 HB2 ASP 32 1HB ASP 32 6.336 15.805 5.966 213 HB3 ASP 32 2HB ASP 32 5.551 15.548 7.522 214 H MET 33 H MET 33 6.901 11.745 6.054 215 HA MET 33 HA MET 33 4.198 11.253 7.119 216 HB2 MET 33 1HB MET 33 5.372 10.711 4.429 217 HB3 MET 33 2HB MET 33 4.179 9.585 5.063 218 HG2 MET 33 1HG MET 33 2.848 11.827 5.514 219 HG3 MET 33 2HG MET 33 3.864 12.399 4.193 220 HE1 MET 33 1HE MET 33 3.105 9.111 1.920 221 HE2 MET 33 2HE MET 33 3.672 10.730 1.507 222 HE3 MET 33 3HE MET 33 4.427 9.841 2.831 223 H SER 34 H SER 34 3.718 8.809 7.156 224 HA SER 34 HA SER 34 5.996 7.099 7.620 225 HB2 SER 34 1HB SER 34 5.412 6.580 9.960 226 HB3 SER 34 2HB SER 34 5.862 8.274 9.769 227 HG SER 34 HG SER 34 3.367 8.388 9.417 228 H ALA 35 H ALA 35 5.392 5.345 6.545 229 HA ALA 35 HA ALA 35 2.578 4.513 6.618 230 HB1 ALA 35 1HB ALA 35 3.179 4.655 4.393 231 HB2 ALA 35 2HB ALA 35 4.812 4.055 4.686 232 HB3 ALA 35 3HB ALA 35 3.442 2.944 4.734 233 H HIS 36 H HIS 36 1.947 2.551 7.386 234 HA HIS 36 HA HIS 36 4.028 0.719 8.360 235 HB2 HIS 36 1HB HIS 36 1.551 1.458 9.930 236 HB3 HIS 36 2HB HIS 36 2.847 0.385 10.448 237 HD1 HIS 36 1HD HIS 36 1.798 3.879 10.489 238 HD2 HIS 36 2HD HIS 36 5.362 1.785 10.912 239 HE1 HIS 36 1HE HIS 36 3.408 5.498 11.543 240 HE2 HIS 36 2HE HIS 36 5.581 4.235 11.710 241 H VAL 37 H VAL 37 3.754 -1.207 7.469 242 HA VAL 37 HA VAL 37 1.215 -1.936 6.279 243 HB VAL 37 HB VAL 37 3.863 -3.387 6.352 244 HG11 VAL 37 1HG1 VAL 37 2.804 -4.766 4.517 245 HG12 VAL 37 2HG1 VAL 37 2.206 -5.064 6.150 246 HG13 VAL 37 3HG1 VAL 37 1.256 -4.092 5.026 247 HG21 VAL 37 1HG2 VAL 37 4.123 -2.694 4.082 248 HG22 VAL 37 2HG2 VAL 37 2.494 -2.019 4.041 249 HG23 VAL 37 3HG2 VAL 37 3.738 -1.262 5.036 250 H THR 38 H THR 38 -0.217 -2.403 7.901 251 HA THR 38 HA THR 38 0.517 -4.191 10.056 252 HB THR 38 HB THR 38 -2.213 -3.073 9.398 253 HG1 THR 38 1HG THR 38 -0.503 -2.064 11.407 254 HG21 THR 38 1HG2 THR 38 -1.315 -3.820 12.139 255 HG22 THR 38 2HG2 THR 38 -1.783 -5.107 11.027 256 HG23 THR 38 3HG2 THR 38 -2.933 -3.836 11.439 257 H SER 39 H SER 39 -0.167 -6.277 10.342 258 HA SER 39 HA SER 39 -1.285 -7.581 7.962 259 HB2 SER 39 1HB SER 39 0.527 -8.467 10.163 260 HB3 SER 39 2HB SER 39 -0.502 -9.676 9.397 261 HG SER 39 HG SER 39 0.915 -7.944 7.734 262 HA PRO 40 HA PRO 40 -5.099 -8.540 9.909 263 HB2 PRO 40 1HB PRO 40 -5.653 -10.966 8.823 264 HB3 PRO 40 2HB PRO 40 -5.753 -9.458 7.907 265 HG2 PRO 40 1HG PRO 40 -3.558 -11.492 7.971 266 HG3 PRO 40 2HG PRO 40 -4.252 -10.638 6.580 267 HD2 PRO 40 1HD PRO 40 -1.910 -9.901 7.723 268 HD3 PRO 40 2HD PRO 40 -3.018 -8.732 6.976 269 H SER 41 H SER 41 -2.287 -10.153 10.654 270 HA SER 41 HA SER 41 -3.606 -11.963 12.557 271 HB2 SER 41 1HB SER 41 -1.470 -13.143 12.692 272 HB3 SER 41 2HB SER 41 -1.979 -13.002 11.010 273 HG SER 41 HG SER 41 0.042 -11.576 12.372 274 H GLY 42 H GLY 42 -1.784 -9.074 12.308 275 HA2 GLY 42 1HA GLY 42 -1.886 -7.645 14.318 276 HA3 GLY 42 2HA GLY 42 -1.423 -9.067 15.242 277 H ARG 43 H ARG 43 0.038 -8.429 12.155 278 HA ARG 43 HA ARG 43 2.524 -7.663 13.542 279 HB2 ARG 43 1HB ARG 43 2.628 -9.913 12.540 280 HB3 ARG 43 2HB ARG 43 2.230 -9.226 10.971 281 HG2 ARG 43 1HG ARG 43 4.352 -7.752 11.435 282 HG3 ARG 43 2HG ARG 43 4.764 -9.083 12.519 283 HD2 ARG 43 1HD ARG 43 3.923 -9.600 9.690 284 HD3 ARG 43 2HD ARG 43 5.588 -9.163 10.072 285 HE ARG 43 HE ARG 43 4.948 -11.233 11.771 286 HH11 ARG 43 1HH1 ARG 43 5.083 -10.737 8.327 287 HH12 ARG 43 2HH1 ARG 43 5.472 -12.387 7.974 288 HH21 ARG 43 1HH2 ARG 43 5.460 -13.409 11.318 289 HH22 ARG 43 2HH2 ARG 43 5.686 -13.907 9.675 290 H VAL 44 H VAL 44 3.005 -5.603 13.202 291 HA VAL 44 HA VAL 44 2.441 -4.445 10.549 292 HB VAL 44 HB VAL 44 0.978 -3.409 12.160 293 HG11 VAL 44 1HG1 VAL 44 1.666 -2.436 14.190 294 HG12 VAL 44 2HG1 VAL 44 2.482 -3.999 14.125 295 HG13 VAL 44 3HG1 VAL 44 3.371 -2.522 13.749 296 HG21 VAL 44 1HG2 VAL 44 2.400 -1.054 12.177 297 HG22 VAL 44 2HG2 VAL 44 3.112 -1.938 10.828 298 HG23 VAL 44 3HG2 VAL 44 1.376 -1.631 10.863 299 H THR 45 H THR 45 4.062 -3.399 9.526 300 HA THR 45 HA THR 45 6.579 -2.991 11.001 301 HB THR 45 HB THR 45 7.760 -3.547 8.823 302 HG1 THR 45 1HG THR 45 5.269 -4.797 8.222 303 HG21 THR 45 1HG2 THR 45 7.873 -5.102 10.639 304 HG22 THR 45 2HG2 THR 45 7.532 -6.022 9.174 305 HG23 THR 45 3HG2 THR 45 6.237 -5.678 10.320 306 H GLU 46 H GLU 46 8.096 -1.509 9.769 307 HA GLU 46 HA GLU 46 6.588 0.844 8.971 308 HB2 GLU 46 1HB GLU 46 8.561 0.837 10.608 309 HB3 GLU 46 2HB GLU 46 9.584 0.641 9.192 310 HG2 GLU 46 1HG GLU 46 8.785 2.730 8.279 311 HG3 GLU 46 2HG GLU 46 7.665 2.917 9.627 312 H ALA 47 H ALA 47 6.332 1.506 6.941 313 HA ALA 47 HA ALA 47 7.744 0.064 4.819 314 HB1 ALA 47 1HB ALA 47 5.813 0.114 3.729 315 HB2 ALA 47 2HB ALA 47 5.081 0.897 5.130 316 HB3 ALA 47 3HB ALA 47 5.757 1.874 3.827 317 H GLU 48 H GLU 48 8.404 1.320 2.886 318 HA GLU 48 HA GLU 48 9.632 3.858 3.718 319 HB2 GLU 48 1HB GLU 48 11.287 2.260 3.068 320 HB3 GLU 48 2HB GLU 48 10.406 1.850 1.604 321 HG2 GLU 48 1HG GLU 48 10.859 4.045 0.684 322 HG3 GLU 48 2HG GLU 48 11.682 4.516 2.170 323 H ILE 49 H ILE 49 9.449 5.696 2.471 324 HA ILE 49 HA ILE 49 7.360 5.601 0.399 325 HB ILE 49 HB ILE 49 8.245 8.004 1.996 326 HG12 ILE 49 1HG1 ILE 49 5.600 6.655 2.365 327 HG13 ILE 49 2HG1 ILE 49 7.017 5.987 3.168 328 HG21 ILE 49 1HG2 ILE 49 7.318 8.688 -0.082 329 HG22 ILE 49 2HG2 ILE 49 5.990 7.538 0.060 330 HG23 ILE 49 3HG2 ILE 49 6.071 8.929 1.142 331 HD11 ILE 49 1HD1 ILE 49 5.668 7.552 4.552 332 HD12 ILE 49 2HD1 ILE 49 7.364 8.005 4.381 333 HD13 ILE 49 3HD1 ILE 49 6.128 8.845 3.445 334 H VAL 50 H VAL 50 8.759 5.103 -1.317 335 HA VAL 50 HA VAL 50 11.144 6.433 -1.928 336 HB VAL 50 HB VAL 50 9.176 5.132 -3.815 337 HG11 VAL 50 1HG1 VAL 50 10.652 6.640 -5.017 338 HG12 VAL 50 2HG1 VAL 50 12.060 5.907 -4.245 339 HG13 VAL 50 3HG1 VAL 50 11.075 4.963 -5.363 340 HG21 VAL 50 1HG2 VAL 50 11.429 4.118 -2.143 341 HG22 VAL 50 2HG2 VAL 50 9.843 3.408 -2.443 342 HG23 VAL 50 3HG2 VAL 50 11.087 3.346 -3.692 343 HA PRO 51 HA PRO 51 9.641 10.423 -3.132 344 HB2 PRO 51 1HB PRO 51 11.962 11.338 -4.203 345 HB3 PRO 51 2HB PRO 51 11.690 11.216 -2.461 346 HG2 PRO 51 1HG PRO 51 13.157 9.349 -4.285 347 HG3 PRO 51 2HG PRO 51 13.606 9.914 -2.665 348 HD2 PRO 51 1HD PRO 51 12.497 7.483 -3.105 349 HD3 PRO 51 2HD PRO 51 12.212 8.407 -1.616 350 H MET 52 H MET 52 8.196 9.643 -4.770 351 HA MET 52 HA MET 52 9.001 8.848 -7.343 352 HB2 MET 52 1HB MET 52 6.466 9.783 -6.102 353 HB3 MET 52 2HB MET 52 6.567 9.827 -7.857 354 HG2 MET 52 1HG MET 52 7.321 7.344 -6.386 355 HG3 MET 52 2HG MET 52 5.624 7.731 -6.657 356 HE1 MET 52 1HE MET 52 6.506 4.971 -7.899 357 HE2 MET 52 2HE MET 52 4.954 5.807 -7.975 358 HE3 MET 52 3HE MET 52 5.704 5.203 -9.453 359 H GLY 53 H GLY 53 7.532 11.967 -6.398 360 HA2 GLY 53 1HA GLY 53 9.438 13.579 -7.681 361 HA3 GLY 53 2HA GLY 53 8.128 13.275 -8.813 362 H LYS 54 H LYS 54 6.751 14.907 -8.884 363 HA LYS 54 HA LYS 54 6.591 17.055 -7.200 364 HB2 LYS 54 1HB LYS 54 5.374 16.469 -9.480 365 HB3 LYS 54 2HB LYS 54 4.045 16.065 -8.402 366 HG2 LYS 54 1HG LYS 54 3.582 18.256 -8.859 367 HG3 LYS 54 2HG LYS 54 4.545 18.424 -7.389 368 HD2 LYS 54 1HD LYS 54 5.803 18.522 -10.113 369 HD3 LYS 54 2HD LYS 54 5.096 19.959 -9.370 370 HE2 LYS 54 1HE LYS 54 6.587 19.182 -7.325 371 HE3 LYS 54 2HE LYS 54 7.519 18.411 -8.608 372 HZ1 LYS 54 1HZ LYS 54 7.476 21.124 -7.850 373 HZ2 LYS 54 2HZ LYS 54 6.950 20.996 -9.452 374 HZ3 LYS 54 3HZ LYS 54 8.453 20.363 -9.003 375 H ASN 55 H ASN 55 6.669 16.541 -5.027 376 HA ASN 55 HA ASN 55 5.984 15.667 -3.005 377 HB2 ASN 55 1HB ASN 55 3.268 16.681 -3.791 378 HB3 ASN 55 2HB ASN 55 4.077 16.782 -2.230 379 HD21 ASN 55 1HD2 ASN 55 4.256 17.938 -5.561 380 HD22 ASN 55 2HD2 ASN 55 4.942 19.477 -5.176 381 H SER 56 H SER 56 5.749 13.768 -5.219 382 HA SER 56 HA SER 56 3.298 12.305 -4.702 383 HB2 SER 56 1HB SER 56 5.638 11.856 -6.552 384 HB3 SER 56 2HB SER 56 4.370 10.649 -6.339 385 HG SER 56 HG SER 56 4.215 13.219 -7.468 386 H HIS 57 H HIS 57 3.184 10.229 -3.813 387 HA HIS 57 HA HIS 57 5.560 9.383 -2.289 388 HB2 HIS 57 1HB HIS 57 2.808 8.814 -1.268 389 HB3 HIS 57 2HB HIS 57 4.316 8.998 -0.376 390 HD1 HIS 57 1HD HIS 57 5.253 11.612 -0.439 391 HD2 HIS 57 2HD HIS 57 1.198 10.974 -1.079 392 HE1 HIS 57 1HE HIS 57 4.146 13.826 0.002 393 HE2 HIS 57 2HE HIS 57 1.684 13.394 -0.308 394 H CYS 58 H CYS 58 6.119 7.281 -2.410 395 HA CYS 58 HA CYS 58 4.234 5.413 -3.677 396 HB2 CYS 58 1HB CYS 58 5.991 6.285 -5.285 397 HB3 CYS 58 2HB CYS 58 7.190 5.462 -4.293 398 HG CYS 58 HG CYS 58 4.573 3.802 -5.734 399 H VAL 59 H VAL 59 3.773 4.002 -2.117 400 HA VAL 59 HA VAL 59 5.801 3.230 -0.175 401 HB VAL 59 HB VAL 59 2.870 2.533 -0.378 402 HG11 VAL 59 1HG1 VAL 59 3.697 1.943 2.184 403 HG12 VAL 59 2HG1 VAL 59 3.366 0.774 0.904 404 HG13 VAL 59 3HG1 VAL 59 5.014 1.338 1.181 405 HG21 VAL 59 1HG2 VAL 59 2.741 4.634 0.431 406 HG22 VAL 59 2HG2 VAL 59 3.179 3.860 1.954 407 HG23 VAL 59 3HG2 VAL 59 4.419 4.642 0.974 408 H ARG 60 H ARG 60 6.996 1.457 -0.358 409 HA ARG 60 HA ARG 60 6.066 -0.679 -2.164 410 HB2 ARG 60 1HB ARG 60 8.728 0.601 -1.812 411 HB3 ARG 60 2HB ARG 60 8.701 -1.127 -2.138 412 HG2 ARG 60 1HG ARG 60 7.594 -0.807 -4.211 413 HG3 ARG 60 2HG ARG 60 7.279 0.892 -3.851 414 HD2 ARG 60 1HD ARG 60 9.093 0.946 -5.321 415 HD3 ARG 60 2HD ARG 60 9.823 1.143 -3.728 416 HE ARG 60 HE ARG 60 9.814 -1.578 -4.323 417 HH11 ARG 60 1HH1 ARG 60 11.266 1.357 -5.507 418 HH12 ARG 60 2HH1 ARG 60 12.689 0.568 -6.101 419 HH21 ARG 60 1HH2 ARG 60 11.684 -2.628 -5.101 420 HH22 ARG 60 2HH2 ARG 60 12.926 -1.699 -5.870 421 H PHE 61 H PHE 61 5.696 -2.578 -1.239 422 HA PHE 61 HA PHE 61 7.334 -3.553 0.923 423 HB2 PHE 61 1HB PHE 61 5.402 -3.931 2.456 424 HB3 PHE 61 2HB PHE 61 5.787 -2.229 2.222 425 HD1 PHE 61 1HD PHE 61 3.637 -4.845 0.648 426 HD2 PHE 61 2HD PHE 61 4.016 -0.807 1.941 427 HE1 PHE 61 1HE PHE 61 1.307 -4.417 -0.016 428 HE2 PHE 61 2HE PHE 61 1.687 -0.373 1.279 429 HZ PHE 61 HZ PHE 61 0.329 -2.179 0.300 430 H VAL 62 H VAL 62 6.787 -5.787 1.517 431 HA VAL 62 HA VAL 62 5.617 -7.202 -0.780 432 HB VAL 62 HB VAL 62 7.452 -8.310 1.348 433 HG11 VAL 62 1HG1 VAL 62 6.293 -9.437 -1.182 434 HG12 VAL 62 2HG1 VAL 62 7.751 -10.103 -0.443 435 HG13 VAL 62 3HG1 VAL 62 6.230 -10.100 0.451 436 HG21 VAL 62 1HG2 VAL 62 8.803 -8.308 -1.068 437 HG22 VAL 62 2HG2 VAL 62 8.002 -6.737 -1.028 438 HG23 VAL 62 3HG2 VAL 62 9.078 -7.212 0.286 439 HA PRO 63 HA PRO 63 2.305 -7.947 2.215 440 HB2 PRO 63 1HB PRO 63 0.499 -8.717 0.340 441 HB3 PRO 63 2HB PRO 63 0.851 -7.022 0.695 442 HG2 PRO 63 1HG PRO 63 1.875 -8.742 -1.530 443 HG3 PRO 63 2HG PRO 63 1.311 -7.062 -1.584 444 HD2 PRO 63 1HD PRO 63 3.938 -7.717 -1.537 445 HD3 PRO 63 2HD PRO 63 3.311 -6.234 -0.790 446 H GLN 64 H GLN 64 0.712 -9.907 2.312 447 HA GLN 64 HA GLN 64 2.324 -12.334 1.911 448 HB2 GLN 64 1HB GLN 64 0.191 -11.642 3.924 449 HB3 GLN 64 2HB GLN 64 0.744 -13.292 3.671 450 HG2 GLN 64 1HG GLN 64 2.422 -10.960 4.565 451 HG3 GLN 64 2HG GLN 64 1.872 -12.306 5.561 452 HE21 GLN 64 1HE2 GLN 64 4.029 -11.315 3.013 453 HE22 GLN 64 2HE2 GLN 64 5.069 -12.693 3.085 454 H GLU 65 H GLU 65 0.871 -14.371 1.759 455 HA GLU 65 HA GLU 65 -0.799 -14.005 -0.569 456 HB2 GLU 65 1HB GLU 65 -0.924 -16.471 -0.579 457 HB3 GLU 65 2HB GLU 65 0.732 -15.885 -0.521 458 HG2 GLU 65 1HG GLU 65 0.683 -16.252 1.953 459 HG3 GLU 65 2HG GLU 65 -0.879 -17.040 1.738 460 H MET 66 H MET 66 -2.974 -14.152 -0.688 461 HA MET 66 HA MET 66 -5.111 -13.872 0.099 462 HB2 MET 66 1HB MET 66 -4.354 -16.413 1.552 463 HB3 MET 66 2HB MET 66 -5.992 -15.873 1.205 464 HG2 MET 66 1HG MET 66 -5.718 -17.332 -0.504 465 HG3 MET 66 2HG MET 66 -5.089 -15.878 -1.273 466 HE1 MET 66 1HE MET 66 -2.066 -17.157 -2.752 467 HE2 MET 66 2HE MET 66 -3.584 -16.262 -2.831 468 HE3 MET 66 3HE MET 66 -2.242 -15.639 -1.871 469 H GLY 67 H GLY 67 -3.412 -12.251 1.541 470 HA2 GLY 67 1HA GLY 67 -4.588 -12.429 4.245 471 HA3 GLY 67 2HA GLY 67 -2.912 -11.964 3.995 472 H VAL 68 H VAL 68 -5.699 -10.704 4.875 473 HA VAL 68 HA VAL 68 -5.712 -8.338 3.192 474 HB VAL 68 HB VAL 68 -7.371 -9.008 5.627 475 HG11 VAL 68 1HG1 VAL 68 -8.661 -7.104 5.214 476 HG12 VAL 68 2HG1 VAL 68 -6.999 -6.543 5.016 477 HG13 VAL 68 3HG1 VAL 68 -7.991 -6.887 3.598 478 HG21 VAL 68 1HG2 VAL 68 -8.385 -10.411 4.210 479 HG22 VAL 68 2HG2 VAL 68 -9.038 -8.962 3.446 480 HG23 VAL 68 3HG2 VAL 68 -7.579 -9.716 2.804 481 H HIS 69 H HIS 69 -4.236 -6.819 3.546 482 HA HIS 69 HA HIS 69 -3.329 -6.324 6.296 483 HB2 HIS 69 1HB HIS 69 -2.055 -5.335 3.742 484 HB3 HIS 69 2HB HIS 69 -1.356 -5.325 5.359 485 HD1 HIS 69 1HD HIS 69 -2.775 -8.030 3.071 486 HD2 HIS 69 2HD HIS 69 0.448 -7.308 5.591 487 HE1 HIS 69 1HE HIS 69 -1.361 -10.107 2.966 488 HE2 HIS 69 2HE HIS 69 0.538 -9.681 4.565 489 H THR 70 H THR 70 -2.564 -3.888 6.497 490 HA THR 70 HA THR 70 -4.568 -2.096 5.333 491 HB THR 70 HB THR 70 -3.977 -2.102 8.296 492 HG1 THR 70 1HG THR 70 -5.874 -3.483 6.779 493 HG21 THR 70 1HG2 THR 70 -6.294 -0.806 6.892 494 HG22 THR 70 2HG2 THR 70 -4.743 0.018 7.055 495 HG23 THR 70 3HG2 THR 70 -5.640 -0.466 8.494 496 H VAL 71 H VAL 71 -3.652 -0.299 4.596 497 HA VAL 71 HA VAL 71 -0.908 0.316 5.381 498 HB VAL 71 HB VAL 71 -2.595 1.541 3.194 499 HG11 VAL 71 1HG1 VAL 71 0.391 1.665 3.396 500 HG12 VAL 71 2HG1 VAL 71 -0.706 2.688 2.466 501 HG13 VAL 71 3HG1 VAL 71 -0.623 2.848 4.221 502 HG21 VAL 71 1HG2 VAL 71 -0.973 0.192 1.742 503 HG22 VAL 71 2HG2 VAL 71 -0.634 -0.732 3.205 504 HG23 VAL 71 3HG2 VAL 71 -2.271 -0.687 2.551 505 H SER 72 H SER 72 -0.823 1.485 7.208 506 HA SER 72 HA SER 72 -2.775 3.583 7.709 507 HB2 SER 72 1HB SER 72 -0.445 2.644 9.399 508 HB3 SER 72 2HB SER 72 -1.701 3.771 9.909 509 HG SER 72 HG SER 72 -3.008 1.715 9.050 510 H VAL 73 H VAL 73 -2.457 5.515 6.839 511 HA VAL 73 HA VAL 73 0.301 6.550 6.683 512 HB VAL 73 HB VAL 73 -1.992 7.144 4.806 513 HG11 VAL 73 1HG1 VAL 73 -0.346 8.427 3.525 514 HG12 VAL 73 2HG1 VAL 73 -0.567 9.091 5.145 515 HG13 VAL 73 3HG1 VAL 73 0.861 8.124 4.775 516 HG21 VAL 73 1HG2 VAL 73 -0.849 4.886 4.627 517 HG22 VAL 73 2HG2 VAL 73 -0.860 5.877 3.169 518 HG23 VAL 73 3HG2 VAL 73 0.601 5.769 4.150 519 H LYS 74 H LYS 74 0.362 7.759 8.521 520 HA LYS 74 HA LYS 74 -1.785 9.702 8.985 521 HB2 LYS 74 1HB LYS 74 0.240 8.372 10.709 522 HB3 LYS 74 2HB LYS 74 -0.247 10.003 11.152 523 HG2 LYS 74 1HG LYS 74 -2.663 9.012 10.856 524 HG3 LYS 74 2HG LYS 74 -1.826 7.484 11.146 525 HD2 LYS 74 1HD LYS 74 -1.307 8.022 13.306 526 HD3 LYS 74 2HD LYS 74 -1.248 9.755 12.974 527 HE2 LYS 74 1HE LYS 74 -3.862 8.341 12.766 528 HE3 LYS 74 2HE LYS 74 -3.215 8.690 14.368 529 HZ1 LYS 74 1HZ LYS 74 -3.596 10.874 14.137 530 HZ2 LYS 74 2HZ LYS 74 -4.700 10.397 12.947 531 HZ3 LYS 74 3HZ LYS 74 -3.148 10.906 12.506 532 H TYR 75 H TYR 75 -1.262 11.907 9.476 533 HA TYR 75 HA TYR 75 1.364 12.797 8.502 534 HB2 TYR 75 1HB TYR 75 -0.069 13.175 6.638 535 HB3 TYR 75 2HB TYR 75 -1.346 13.823 7.661 536 HD1 TYR 75 1HD TYR 75 2.240 14.527 6.853 537 HD2 TYR 75 2HD TYR 75 -1.625 16.110 7.669 538 HE1 TYR 75 1HE TYR 75 3.097 16.800 6.471 539 HE2 TYR 75 2HE TYR 75 -0.778 18.388 7.288 540 HH TYR 75 HH TYR 75 1.096 19.472 6.049 541 H ARG 76 H ARG 76 2.155 13.358 10.483 542 HA ARG 76 HA ARG 76 2.524 14.644 12.322 543 HB2 ARG 76 1HB ARG 76 0.749 16.416 10.685 544 HB3 ARG 76 2HB ARG 76 1.177 16.891 12.324 545 HG2 ARG 76 1HG ARG 76 3.616 16.353 11.453 546 HG3 ARG 76 2HG ARG 76 2.866 16.708 9.895 547 HD2 ARG 76 1HD ARG 76 3.882 18.703 10.888 548 HD3 ARG 76 2HD ARG 76 2.135 18.875 10.720 549 HE ARG 76 HE ARG 76 2.543 17.924 13.267 550 HH11 ARG 76 1HH1 ARG 76 3.531 20.711 11.431 551 HH12 ARG 76 2HH1 ARG 76 3.629 21.750 12.814 552 HH21 ARG 76 1HH2 ARG 76 2.668 19.281 15.096 553 HH22 ARG 76 2HH2 ARG 76 3.139 20.936 14.898 554 H GLY 77 H GLY 77 0.473 12.596 12.364 555 HA2 GLY 77 1HA GLY 77 -0.813 11.815 14.154 556 HA3 GLY 77 2HA GLY 77 -0.869 13.450 14.797 557 H GLN 78 H GLN 78 -1.726 12.528 11.510 558 HA GLN 78 HA GLN 78 -4.566 12.715 12.109 559 HB2 GLN 78 1HB GLN 78 -5.042 14.597 10.876 560 HB3 GLN 78 2HB GLN 78 -3.473 15.039 11.536 561 HG2 GLN 78 1HG GLN 78 -3.279 15.636 9.320 562 HG3 GLN 78 2HG GLN 78 -2.528 14.042 9.355 563 HE21 GLN 78 1HE2 GLN 78 -5.798 15.392 9.027 564 HE22 GLN 78 2HE2 GLN 78 -6.254 14.404 7.686 565 H HIS 79 H HIS 79 -5.646 11.248 10.971 566 HA HIS 79 HA HIS 79 -4.306 9.680 8.981 567 HB2 HIS 79 1HB HIS 79 -6.994 9.622 10.290 568 HB3 HIS 79 2HB HIS 79 -6.756 8.713 8.800 569 HD1 HIS 79 1HD HIS 79 -4.346 7.191 9.014 570 HD2 HIS 79 2HD HIS 79 -6.542 8.060 12.432 571 HE1 HIS 79 1HE HIS 79 -3.640 5.482 10.719 572 HE2 HIS 79 2HE HIS 79 -5.044 5.975 12.751 573 H VAL 80 H VAL 80 -4.105 10.250 6.927 574 HA VAL 80 HA VAL 80 -5.405 12.408 5.715 575 HB VAL 80 HB VAL 80 -4.518 11.581 3.593 576 HG11 VAL 80 1HG1 VAL 80 -2.860 11.741 6.035 577 HG12 VAL 80 2HG1 VAL 80 -2.077 11.100 4.588 578 HG13 VAL 80 3HG1 VAL 80 -2.806 12.706 4.560 579 HG21 VAL 80 1HG2 VAL 80 -3.633 9.127 5.103 580 HG22 VAL 80 2HG2 VAL 80 -5.032 9.179 4.031 581 HG23 VAL 80 3HG2 VAL 80 -3.416 9.463 3.386 582 H THR 81 H THR 81 -6.768 12.275 3.726 583 HA THR 81 HA THR 81 -9.222 11.064 4.271 584 HB THR 81 HB THR 81 -8.235 11.920 1.545 585 HG1 THR 81 1HG THR 81 -8.270 13.445 3.544 586 HG21 THR 81 1HG2 THR 81 -10.625 12.338 1.111 587 HG22 THR 81 2HG2 THR 81 -11.016 11.678 2.699 588 HG23 THR 81 3HG2 THR 81 -10.304 10.641 1.463 589 H GLY 82 H GLY 82 -9.908 9.037 4.076 590 HA2 GLY 82 1HA GLY 82 -10.273 7.048 2.813 591 HA3 GLY 82 2HA GLY 82 -8.755 7.338 1.976 592 H SER 83 H SER 83 -6.982 7.685 4.010 593 HA SER 83 HA SER 83 -6.446 5.036 4.799 594 HB2 SER 83 1HB SER 83 -4.498 5.873 5.803 595 HB3 SER 83 2HB SER 83 -4.821 7.035 4.517 596 HG SER 83 HG SER 83 -5.263 7.302 7.293 597 HA PRO 84 HA PRO 84 -5.176 4.076 6.496 598 HB2 PRO 84 1HB PRO 84 -5.947 1.708 7.577 599 HB3 PRO 84 2HB PRO 84 -5.141 2.973 8.512 600 HG2 PRO 84 1HG PRO 84 -8.054 2.306 8.347 601 HG3 PRO 84 2HG PRO 84 -7.079 2.712 9.770 602 HD2 PRO 84 1HD PRO 84 -8.696 4.510 8.551 603 HD3 PRO 84 2HD PRO 84 -7.180 4.976 9.350 604 H PHE 85 H PHE 85 -4.983 3.079 4.585 605 HA PHE 85 HA PHE 85 -7.375 2.340 3.134 606 HB2 PHE 85 1HB PHE 85 -4.474 2.271 2.277 607 HB3 PHE 85 2HB PHE 85 -5.863 2.047 1.219 608 HD1 PHE 85 2HD PHE 85 -7.302 3.927 0.639 609 HD2 PHE 85 1HD PHE 85 -3.838 4.445 3.058 610 HE1 PHE 85 2HE PHE 85 -7.398 6.354 0.251 611 HE2 PHE 85 1HE PHE 85 -3.929 6.874 2.674 612 HZ PHE 85 HZ PHE 85 -5.710 7.831 1.268 613 H GLN 86 H GLN 86 -8.219 0.379 3.293 614 HA GLN 86 HA GLN 86 -6.499 -1.871 4.038 615 HB2 GLN 86 1HB GLN 86 -8.788 -1.210 5.159 616 HB3 GLN 86 2HB GLN 86 -9.471 -2.093 3.801 617 HG2 GLN 86 1HG GLN 86 -7.956 -4.012 4.480 618 HG3 GLN 86 2HG GLN 86 -7.681 -3.120 5.976 619 HE21 GLN 86 1HE2 GLN 86 -8.762 -4.177 7.490 620 HE22 GLN 86 2HE2 GLN 86 -10.424 -4.643 7.403 621 H PHE 87 H PHE 87 -6.040 -3.502 2.689 622 HA PHE 87 HA PHE 87 -7.598 -3.805 0.228 623 HB2 PHE 87 1HB PHE 87 -5.635 -3.881 -1.167 624 HB3 PHE 87 2HB PHE 87 -5.606 -2.375 -0.257 625 HD1 PHE 87 2HD PHE 87 -4.320 -5.867 -0.107 626 HD2 PHE 87 1HD PHE 87 -3.682 -1.770 0.855 627 HE1 PHE 87 2HE PHE 87 -2.067 -6.415 0.716 628 HE2 PHE 87 1HE PHE 87 -1.427 -2.312 1.679 629 HZ PHE 87 HZ PHE 87 -0.618 -4.636 1.611 630 H THR 88 H THR 88 -7.377 -5.877 -0.782 631 HA THR 88 HA THR 88 -6.426 -7.956 1.078 632 HB THR 88 HB THR 88 -8.595 -8.262 -1.005 633 HG1 THR 88 1HG THR 88 -9.885 -8.367 1.068 634 HG21 THR 88 1HG2 THR 88 -7.093 -10.153 0.443 635 HG22 THR 88 2HG2 THR 88 -8.531 -10.439 -0.537 636 HG23 THR 88 3HG2 THR 88 -8.690 -10.110 1.188 637 H VAL 89 H VAL 89 -4.875 -9.288 0.399 638 HA VAL 89 HA VAL 89 -3.924 -9.045 -2.345 639 HB VAL 89 HB VAL 89 -2.732 -10.507 0.016 640 HG11 VAL 89 1HG1 VAL 89 -1.536 -9.935 -2.694 641 HG12 VAL 89 2HG1 VAL 89 -0.731 -10.736 -1.343 642 HG13 VAL 89 3HG1 VAL 89 -2.103 -11.509 -2.137 643 HG21 VAL 89 1HG2 VAL 89 -1.992 -8.515 0.662 644 HG22 VAL 89 2HG2 VAL 89 -1.096 -8.387 -0.851 645 HG23 VAL 89 3HG2 VAL 89 -2.735 -7.745 -0.740 646 H GLY 90 H GLY 90 -3.797 -10.719 -3.806 647 HA2 GLY 90 1HA GLY 90 -5.271 -13.168 -3.054 648 HA3 GLY 90 2HA GLY 90 -5.355 -12.434 -4.648 649 HA PRO 91 HA PRO 91 -2.288 -15.847 -4.949 650 HB2 PRO 91 1HB PRO 91 -3.054 -16.601 -7.442 651 HB3 PRO 91 2HB PRO 91 -3.852 -17.181 -5.975 652 HG2 PRO 91 1HG PRO 91 -4.681 -14.996 -7.846 653 HG3 PRO 91 2HG PRO 91 -5.672 -16.257 -7.089 654 HD2 PRO 91 1HD PRO 91 -5.578 -13.718 -6.150 655 HD3 PRO 91 2HD PRO 91 -5.813 -15.121 -5.088 656 H LEU 92 H LEU 92 -0.312 -15.728 -5.895 657 HA LEU 92 HA LEU 92 0.674 -13.378 -6.938 658 HB2 LEU 92 1HB LEU 92 2.636 -14.583 -7.554 659 HB3 LEU 92 2HB LEU 92 2.016 -15.269 -6.053 660 HG LEU 92 HG LEU 92 1.352 -16.544 -8.679 661 HD11 LEU 92 1HD1 LEU 92 3.760 -16.299 -8.724 662 HD12 LEU 92 2HD1 LEU 92 3.329 -17.981 -8.418 663 HD13 LEU 92 3HD1 LEU 92 3.882 -16.957 -7.092 664 HD21 LEU 92 1HD2 LEU 92 0.250 -17.861 -7.261 665 HD22 LEU 92 2HD2 LEU 92 1.025 -17.124 -5.858 666 HD23 LEU 92 3HD2 LEU 92 1.825 -18.441 -6.717 667 H GLY 93 H GLY 93 -1.212 -15.767 -8.512 668 HA2 GLY 93 1HA GLY 93 -2.121 -14.602 -10.653 669 HA3 GLY 93 2HA GLY 93 -0.451 -14.779 -11.171 670 H GLU 94 H GLU 94 -1.541 -15.993 -12.937 671 HA GLU 94 HA GLU 94 -2.738 -18.521 -12.369 672 HB2 GLU 94 1HB GLU 94 -2.975 -17.019 -14.477 673 HB3 GLU 94 2HB GLU 94 -1.502 -17.816 -15.012 674 HG2 GLU 94 1HG GLU 94 -3.833 -19.444 -14.109 675 HG3 GLU 94 2HG GLU 94 -3.811 -18.746 -15.728 676 H GLY 95 H GLY 95 -1.839 -20.489 -12.168 677 HA2 GLY 95 1HA GLY 95 0.354 -21.596 -13.281 678 HA3 GLY 95 2HA GLY 95 1.045 -20.648 -11.972 679 H GLY 96 H GLY 96 0.461 -21.167 -9.791 680 HA2 GLY 96 1HA GLY 96 -0.739 -22.607 -8.246 681 HA3 GLY 96 2HA GLY 96 -0.714 -23.856 -9.481 682 H SER 97 H SER 97 0.103 -24.443 -6.941 683 HA SER 97 HA SER 97 2.862 -24.116 -6.468 684 HB2 SER 97 1HB SER 97 2.610 -25.742 -4.735 685 HB3 SER 97 2HB SER 97 1.104 -24.826 -4.784 686 HG SER 97 HG SER 97 0.086 -26.520 -5.700 687 H GLY 98 H GLY 98 4.485 -25.872 -6.445 688 HA2 GLY 98 1HA GLY 98 4.992 -26.894 -8.959 689 HA3 GLY 98 2HA GLY 98 5.704 -27.521 -7.480 690 HA PRO 99 HA PRO 99 2.406 -30.407 -9.488 691 HB2 PRO 99 1HB PRO 99 3.919 -31.808 -11.254 692 HB3 PRO 99 2HB PRO 99 3.026 -30.349 -11.700 693 HG2 PRO 99 1HG PRO 99 5.927 -30.664 -11.030 694 HG3 PRO 99 2HG PRO 99 5.174 -29.716 -12.326 695 HD2 PRO 99 1HD PRO 99 6.044 -28.596 -10.020 696 HD3 PRO 99 2HD PRO 99 4.643 -27.973 -10.915 697 H SER 100 H SER 100 2.671 -32.906 -9.614 698 HA SER 100 HA SER 100 4.824 -33.959 -7.982 699 HB2 SER 100 1HB SER 100 1.951 -33.938 -7.044 700 HB3 SER 100 2HB SER 100 3.170 -35.031 -6.388 701 HG SER 100 HG SER 100 2.689 -32.563 -5.650 702 H SER 101 H SER 101 4.665 -36.350 -7.761 703 HA SER 101 HA SER 101 3.766 -37.475 -10.284 704 HB2 SER 101 1HB SER 101 4.998 -39.506 -9.518 705 HB3 SER 101 2HB SER 101 6.003 -38.057 -9.555 706 HG SER 101 HG SER 101 5.678 -39.649 -7.535 707 H GLY 102 H GLY 102 2.480 -39.389 -10.430 708 HA2 GLY 102 1HA GLY 102 1.045 -41.043 -9.477 709 HA3 GLY 102 2HA GLY 102 0.903 -40.044 -8.038 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -21.417 9.146 9.706 2 HA2 GLY 1 1HA GLY 1 -20.319 7.645 11.227 3 HA3 GLY 1 2HA GLY 1 -21.526 6.686 10.383 4 H SER 2 H SER 2 -18.229 7.078 11.065 5 HA SER 2 HA SER 2 -16.927 5.953 8.908 6 HB2 SER 2 1HB SER 2 -15.708 6.860 10.807 7 HB3 SER 2 2HB SER 2 -16.335 5.589 11.855 8 HG SER 2 HG SER 2 -15.144 4.088 10.719 9 H SER 3 H SER 3 -17.710 4.227 7.852 10 HA SER 3 HA SER 3 -18.243 1.791 9.423 11 HB2 SER 3 1HB SER 3 -19.635 2.943 7.032 12 HB3 SER 3 2HB SER 3 -19.634 1.196 7.275 13 HG SER 3 HG SER 3 -21.429 2.036 8.294 14 H GLY 4 H GLY 4 -17.201 -0.049 8.871 15 HA2 GLY 4 1HA GLY 4 -14.890 0.101 7.248 16 HA3 GLY 4 2HA GLY 4 -15.576 -1.368 7.926 17 H SER 5 H SER 5 -14.405 -1.409 5.448 18 HA SER 5 HA SER 5 -16.308 -1.041 3.350 19 HB2 SER 5 1HB SER 5 -13.592 -2.301 3.549 20 HB3 SER 5 2HB SER 5 -14.572 -2.552 2.104 21 HG SER 5 HG SER 5 -14.768 -0.082 2.309 22 H SER 6 H SER 6 -17.531 -2.552 2.261 23 HA SER 6 HA SER 6 -17.610 -5.271 3.371 24 HB2 SER 6 1HB SER 6 -19.944 -3.398 2.974 25 HB3 SER 6 2HB SER 6 -20.146 -5.144 3.118 26 HG SER 6 HG SER 6 -18.665 -3.740 5.050 27 H GLY 7 H GLY 7 -19.060 -6.706 1.936 28 HA2 GLY 7 1HA GLY 7 -19.749 -7.413 -0.184 29 HA3 GLY 7 2HA GLY 7 -19.115 -5.920 -0.862 30 H ARG 8 H ARG 8 -18.048 -6.968 -2.543 31 HA ARG 8 HA ARG 8 -15.643 -8.447 -1.710 32 HB2 ARG 8 1HB ARG 8 -17.624 -9.737 -2.898 33 HB3 ARG 8 2HB ARG 8 -16.914 -9.037 -4.346 34 HG2 ARG 8 1HG ARG 8 -14.782 -10.088 -3.830 35 HG3 ARG 8 2HG ARG 8 -15.466 -10.765 -2.351 36 HD2 ARG 8 1HD ARG 8 -17.023 -12.092 -3.624 37 HD3 ARG 8 2HD ARG 8 -16.504 -11.326 -5.125 38 HE ARG 8 HE ARG 8 -14.734 -12.767 -5.193 39 HH11 ARG 8 1HH1 ARG 8 -16.009 -12.706 -1.954 40 HH12 ARG 8 2HH1 ARG 8 -14.993 -13.991 -1.390 41 HH21 ARG 8 1HH2 ARG 8 -13.391 -14.460 -4.462 42 HH22 ARG 8 2HH2 ARG 8 -13.504 -14.987 -2.818 43 H ALA 9 H ALA 9 -13.847 -7.433 -2.286 44 HA ALA 9 HA ALA 9 -13.958 -5.524 -4.523 45 HB1 ALA 9 1HB ALA 9 -11.649 -4.894 -3.308 46 HB2 ALA 9 2HB ALA 9 -13.206 -4.196 -2.858 47 HB3 ALA 9 3HB ALA 9 -12.543 -5.544 -1.933 48 HA PRO 10 HA PRO 10 -11.280 -8.062 -6.921 49 HB2 PRO 10 1HB PRO 10 -10.160 -6.160 -8.501 50 HB3 PRO 10 2HB PRO 10 -11.828 -6.710 -8.696 51 HG2 PRO 10 1HG PRO 10 -10.788 -4.262 -7.321 52 HG3 PRO 10 2HG PRO 10 -12.184 -4.430 -8.402 53 HD2 PRO 10 1HD PRO 10 -12.432 -4.321 -5.708 54 HD3 PRO 10 2HD PRO 10 -13.537 -5.262 -6.731 55 H SER 11 H SER 11 -9.151 -8.719 -7.048 56 HA SER 11 HA SER 11 -7.405 -7.812 -4.986 57 HB2 SER 11 1HB SER 11 -7.269 -9.885 -7.137 58 HB3 SER 11 2HB SER 11 -5.775 -9.398 -6.337 59 HG SER 11 HG SER 11 -7.065 -9.800 -4.324 60 H VAL 12 H VAL 12 -6.486 -5.864 -5.158 61 HA VAL 12 HA VAL 12 -5.515 -4.927 -7.748 62 HB VAL 12 HB VAL 12 -5.066 -2.792 -6.545 63 HG11 VAL 12 1HG1 VAL 12 -7.085 -2.304 -7.330 64 HG12 VAL 12 2HG1 VAL 12 -7.595 -3.985 -7.166 65 HG13 VAL 12 3HG1 VAL 12 -7.778 -2.871 -5.811 66 HG21 VAL 12 1HG2 VAL 12 -6.585 -3.953 -4.230 67 HG22 VAL 12 2HG2 VAL 12 -4.823 -3.999 -4.300 68 HG23 VAL 12 3HG2 VAL 12 -5.665 -2.450 -4.306 69 H ALA 13 H ALA 13 -4.353 -6.324 -4.839 70 HA ALA 13 HA ALA 13 -1.583 -5.632 -5.568 71 HB1 ALA 13 1HB ALA 13 -0.956 -5.725 -3.334 72 HB2 ALA 13 2HB ALA 13 -2.551 -4.973 -3.269 73 HB3 ALA 13 3HB ALA 13 -2.365 -6.682 -2.876 74 H THR 14 H THR 14 0.029 -7.286 -5.362 75 HA THR 14 HA THR 14 -1.071 -10.000 -5.698 76 HB THR 14 HB THR 14 1.560 -9.041 -6.821 77 HG1 THR 14 1HG THR 14 -0.982 -9.170 -8.110 78 HG21 THR 14 1HG2 THR 14 1.775 -11.256 -7.125 79 HG22 THR 14 2HG2 THR 14 0.587 -11.053 -8.412 80 HG23 THR 14 3HG2 THR 14 0.068 -11.556 -6.804 81 H VAL 15 H VAL 15 0.047 -11.748 -4.783 82 HA VAL 15 HA VAL 15 1.390 -11.135 -2.319 83 HB VAL 15 HB VAL 15 -0.102 -13.010 -2.316 84 HG11 VAL 15 1HG1 VAL 15 1.338 -13.712 -4.784 85 HG12 VAL 15 2HG1 VAL 15 0.915 -15.069 -3.738 86 HG13 VAL 15 3HG1 VAL 15 -0.344 -13.986 -4.332 87 HG21 VAL 15 1HG2 VAL 15 2.673 -13.241 -1.633 88 HG22 VAL 15 2HG2 VAL 15 1.263 -13.900 -0.804 89 HG23 VAL 15 3HG2 VAL 15 2.036 -14.819 -2.096 90 H GLY 16 H GLY 16 3.517 -11.273 -1.835 91 HA2 GLY 16 1HA GLY 16 5.769 -11.776 -2.088 92 HA3 GLY 16 2HA GLY 16 5.378 -12.642 -3.566 93 H SER 17 H SER 17 4.090 -10.592 -4.975 94 HA SER 17 HA SER 17 6.363 -9.185 -5.979 95 HB2 SER 17 1HB SER 17 4.156 -10.015 -7.187 96 HB3 SER 17 2HB SER 17 3.583 -8.405 -6.754 97 HG SER 17 HG SER 17 4.567 -8.369 -8.790 98 H ILE 18 H ILE 18 6.731 -6.949 -6.021 99 HA ILE 18 HA ILE 18 6.220 -5.580 -3.623 100 HB ILE 18 HB ILE 18 7.074 -4.414 -6.275 101 HG12 ILE 18 1HG1 ILE 18 8.493 -6.288 -5.301 102 HG13 ILE 18 2HG1 ILE 18 9.324 -4.765 -5.599 103 HG21 ILE 18 1HG2 ILE 18 8.168 -2.723 -4.667 104 HG22 ILE 18 2HG2 ILE 18 6.439 -2.588 -4.985 105 HG23 ILE 18 3HG2 ILE 18 7.004 -3.326 -3.486 106 HD11 ILE 18 1HD1 ILE 18 10.045 -5.615 -3.498 107 HD12 ILE 18 2HD1 ILE 18 9.017 -4.215 -3.191 108 HD13 ILE 18 3HD1 ILE 18 8.382 -5.843 -2.957 109 H CYS 19 H CYS 19 4.640 -4.244 -2.982 110 HA CYS 19 HA CYS 19 2.441 -3.748 -4.857 111 HB2 CYS 19 1HB CYS 19 1.981 -4.900 -2.673 112 HB3 CYS 19 2HB CYS 19 2.441 -3.413 -1.853 113 HG CYS 19 HG CYS 19 0.105 -2.370 -1.918 114 H ASP 20 H ASP 20 2.795 -1.896 -5.930 115 HA ASP 20 HA ASP 20 3.969 0.398 -4.598 116 HB2 ASP 20 1HB ASP 20 2.913 0.200 -7.425 117 HB3 ASP 20 2HB ASP 20 3.982 1.441 -6.777 118 H LEU 21 H LEU 21 2.785 1.798 -3.495 119 HA LEU 21 HA LEU 21 -0.091 1.956 -3.984 120 HB2 LEU 21 1HB LEU 21 1.092 1.705 -1.675 121 HB3 LEU 21 2HB LEU 21 1.334 3.445 -1.819 122 HG LEU 21 HG LEU 21 -1.154 3.677 -2.056 123 HD11 LEU 21 1HD1 LEU 21 -1.040 0.754 -1.351 124 HD12 LEU 21 2HD1 LEU 21 -1.789 1.499 -2.763 125 HD13 LEU 21 3HD1 LEU 21 -2.483 1.751 -1.161 126 HD21 LEU 21 1HD2 LEU 21 -1.575 3.507 0.305 127 HD22 LEU 21 2HD2 LEU 21 0.080 4.065 0.060 128 HD23 LEU 21 3HD2 LEU 21 -0.229 2.386 0.507 129 H ASN 22 H ASN 22 -0.886 3.496 -5.238 130 HA ASN 22 HA ASN 22 0.742 5.735 -6.049 131 HB2 ASN 22 1HB ASN 22 -2.043 4.830 -6.781 132 HB3 ASN 22 2HB ASN 22 -1.339 6.323 -7.397 133 HD21 ASN 22 1HD2 ASN 22 -1.425 2.907 -7.620 134 HD22 ASN 22 2HD2 ASN 22 -0.330 2.742 -8.947 135 H LEU 23 H LEU 23 0.982 7.303 -4.569 136 HA LEU 23 HA LEU 23 -1.463 8.525 -3.490 137 HB2 LEU 23 1HB LEU 23 0.987 7.653 -2.025 138 HB3 LEU 23 2HB LEU 23 0.086 9.056 -1.453 139 HG LEU 23 HG LEU 23 -1.061 6.284 -1.785 140 HD11 LEU 23 1HD1 LEU 23 -1.061 6.275 0.696 141 HD12 LEU 23 2HD1 LEU 23 -0.095 7.749 0.665 142 HD13 LEU 23 3HD1 LEU 23 0.555 6.255 -0.011 143 HD21 LEU 23 1HD2 LEU 23 -2.336 8.754 -1.657 144 HD22 LEU 23 2HD2 LEU 23 -2.451 8.102 -0.022 145 HD23 LEU 23 3HD2 LEU 23 -3.062 7.169 -1.390 146 H LYS 24 H LYS 24 -1.474 10.738 -3.380 147 HA LYS 24 HA LYS 24 0.968 12.213 -3.969 148 HB2 LYS 24 1HB LYS 24 -0.129 13.494 -5.783 149 HB3 LYS 24 2HB LYS 24 0.086 11.795 -6.184 150 HG2 LYS 24 1HG LYS 24 -2.300 11.438 -5.470 151 HG3 LYS 24 2HG LYS 24 -2.452 13.195 -5.391 152 HD2 LYS 24 1HD LYS 24 -1.707 13.289 -7.774 153 HD3 LYS 24 2HD LYS 24 -1.780 11.525 -7.812 154 HE2 LYS 24 1HE LYS 24 -4.116 13.281 -7.078 155 HE3 LYS 24 2HE LYS 24 -3.807 12.703 -8.714 156 HZ1 LYS 24 1HZ LYS 24 -4.950 11.322 -6.486 157 HZ2 LYS 24 2HZ LYS 24 -3.674 10.456 -7.180 158 HZ3 LYS 24 3HZ LYS 24 -4.990 10.930 -8.132 159 H ILE 25 H ILE 25 1.073 13.735 -2.466 160 HA ILE 25 HA ILE 25 -1.231 15.424 -1.946 161 HB ILE 25 HB ILE 25 0.148 14.270 0.452 162 HG12 ILE 25 1HG1 ILE 25 -2.285 13.114 -0.929 163 HG13 ILE 25 2HG1 ILE 25 -0.705 12.347 -0.808 164 HG21 ILE 25 1HG2 ILE 25 -2.708 15.018 0.439 165 HG22 ILE 25 2HG2 ILE 25 -1.461 15.310 1.651 166 HG23 ILE 25 3HG2 ILE 25 -1.552 16.331 0.216 167 HD11 ILE 25 1HD1 ILE 25 -1.712 13.077 1.792 168 HD12 ILE 25 2HD1 ILE 25 -2.847 12.045 0.921 169 HD13 ILE 25 3HD1 ILE 25 -1.189 11.507 1.182 170 HA PRO 26 HA PRO 26 2.432 18.051 -2.082 171 HB2 PRO 26 1HB PRO 26 1.038 20.344 -2.491 172 HB3 PRO 26 2HB PRO 26 1.407 19.201 -3.787 173 HG2 PRO 26 1HG PRO 26 -1.121 19.534 -2.218 174 HG3 PRO 26 2HG PRO 26 -0.911 19.275 -3.960 175 HD2 PRO 26 1HD PRO 26 -1.589 17.278 -2.261 176 HD3 PRO 26 2HD PRO 26 -0.604 17.004 -3.712 177 H GLU 27 H GLU 27 -0.561 18.790 -0.310 178 HA GLU 27 HA GLU 27 0.326 20.730 1.416 179 HB2 GLU 27 1HB GLU 27 -1.723 18.579 1.609 180 HB3 GLU 27 2HB GLU 27 -1.291 19.426 3.088 181 HG2 GLU 27 1HG GLU 27 -1.781 21.571 1.899 182 HG3 GLU 27 2HG GLU 27 -2.416 20.609 0.565 183 H ILE 28 H ILE 28 1.103 17.347 1.402 184 HA ILE 28 HA ILE 28 2.755 17.754 3.808 185 HB ILE 28 HB ILE 28 1.453 15.161 2.972 186 HG12 ILE 28 1HG1 ILE 28 0.782 16.807 5.406 187 HG13 ILE 28 2HG1 ILE 28 -0.061 17.024 3.876 188 HG21 ILE 28 1HG2 ILE 28 2.842 15.793 5.564 189 HG22 ILE 28 2HG2 ILE 28 2.329 14.219 4.956 190 HG23 ILE 28 3HG2 ILE 28 3.668 15.068 4.185 191 HD11 ILE 28 1HD1 ILE 28 0.128 14.341 5.190 192 HD12 ILE 28 2HD1 ILE 28 -1.125 15.506 5.622 193 HD13 ILE 28 3HD1 ILE 28 -1.015 14.901 3.969 194 H ASN 29 H ASN 29 4.812 16.862 3.815 195 HA ASN 29 HA ASN 29 5.820 16.100 1.164 196 HB2 ASN 29 1HB ASN 29 6.993 17.519 3.504 197 HB3 ASN 29 2HB ASN 29 8.078 16.533 2.528 198 HD21 ASN 29 1HD2 ASN 29 8.860 18.917 2.416 199 HD22 ASN 29 2HD2 ASN 29 8.332 19.786 1.019 200 H SER 30 H SER 30 7.215 14.325 0.912 201 HA SER 30 HA SER 30 6.541 12.033 2.385 202 HB2 SER 30 1HB SER 30 8.097 10.864 1.022 203 HB3 SER 30 2HB SER 30 7.453 12.152 0.005 204 HG SER 30 HG SER 30 10.004 11.766 0.964 205 H SER 31 H SER 31 8.829 14.501 2.985 206 HA SER 31 HA SER 31 10.647 12.966 4.572 207 HB2 SER 31 1HB SER 31 11.350 15.060 3.501 208 HB3 SER 31 2HB SER 31 10.186 15.958 4.476 209 HG SER 31 HG SER 31 11.432 14.857 6.300 210 H ASP 32 H ASP 32 7.594 14.447 5.117 211 HA ASP 32 HA ASP 32 7.886 14.010 8.017 212 HB2 ASP 32 1HB ASP 32 6.357 16.078 6.467 213 HB3 ASP 32 2HB ASP 32 5.853 15.632 8.095 214 H MET 33 H MET 33 6.928 12.316 5.605 215 HA MET 33 HA MET 33 4.235 11.667 6.563 216 HB2 MET 33 1HB MET 33 5.731 11.107 4.025 217 HB3 MET 33 2HB MET 33 4.352 10.111 4.471 218 HG2 MET 33 1HG MET 33 2.881 11.972 4.415 219 HG3 MET 33 2HG MET 33 4.223 13.104 4.272 220 HE1 MET 33 1HE MET 33 3.935 9.656 2.369 221 HE2 MET 33 2HE MET 33 2.265 10.198 2.533 222 HE3 MET 33 3HE MET 33 3.023 10.144 0.941 223 H SER 34 H SER 34 3.668 9.337 6.706 224 HA SER 34 HA SER 34 5.835 7.489 7.215 225 HB2 SER 34 1HB SER 34 5.012 6.982 9.535 226 HB3 SER 34 2HB SER 34 5.765 8.568 9.368 227 HG SER 34 HG SER 34 3.337 8.009 10.249 228 H ALA 35 H ALA 35 5.228 5.387 6.976 229 HA ALA 35 HA ALA 35 2.375 4.745 6.862 230 HB1 ALA 35 1HB ALA 35 3.053 3.348 4.737 231 HB2 ALA 35 2HB ALA 35 2.590 5.045 4.604 232 HB3 ALA 35 3HB ALA 35 4.294 4.592 4.593 233 H HIS 36 H HIS 36 1.914 2.835 7.768 234 HA HIS 36 HA HIS 36 4.099 0.899 8.140 235 HB2 HIS 36 1HB HIS 36 1.986 1.597 10.190 236 HB3 HIS 36 2HB HIS 36 3.260 0.396 10.382 237 HD1 HIS 36 1HD HIS 36 2.614 4.056 10.508 238 HD2 HIS 36 2HD HIS 36 5.835 1.455 10.854 239 HE1 HIS 36 1HE HIS 36 4.490 5.432 11.462 240 HE2 HIS 36 2HE HIS 36 6.453 3.859 11.583 241 H VAL 37 H VAL 37 3.643 -1.065 7.401 242 HA VAL 37 HA VAL 37 0.948 -1.660 6.503 243 HB VAL 37 HB VAL 37 3.503 -3.253 6.247 244 HG11 VAL 37 1HG1 VAL 37 0.732 -3.735 5.179 245 HG12 VAL 37 2HG1 VAL 37 2.171 -4.492 4.492 246 HG13 VAL 37 3HG1 VAL 37 1.721 -4.808 6.169 247 HG21 VAL 37 1HG2 VAL 37 2.073 -1.940 3.980 248 HG22 VAL 37 2HG2 VAL 37 3.129 -0.979 5.015 249 HG23 VAL 37 3HG2 VAL 37 3.778 -2.365 4.138 250 H THR 38 H THR 38 -0.439 -2.408 7.968 251 HA THR 38 HA THR 38 0.519 -4.166 10.106 252 HB THR 38 HB THR 38 -2.267 -3.045 9.846 253 HG1 THR 38 1HG THR 38 -0.278 -1.514 9.976 254 HG21 THR 38 1HG2 THR 38 -1.963 -3.219 12.425 255 HG22 THR 38 2HG2 THR 38 -0.657 -4.333 12.017 256 HG23 THR 38 3HG2 THR 38 -2.306 -4.676 11.494 257 H SER 39 H SER 39 -0.064 -6.262 10.291 258 HA SER 39 HA SER 39 -1.542 -7.424 8.051 259 HB2 SER 39 1HB SER 39 0.410 -8.496 10.058 260 HB3 SER 39 2HB SER 39 -0.689 -9.605 9.238 261 HG SER 39 HG SER 39 1.332 -9.317 8.143 262 HA PRO 40 HA PRO 40 -5.154 -8.377 10.350 263 HB2 PRO 40 1HB PRO 40 -5.846 -10.790 9.316 264 HB3 PRO 40 2HB PRO 40 -6.013 -9.277 8.419 265 HG2 PRO 40 1HG PRO 40 -3.852 -11.343 8.264 266 HG3 PRO 40 2HG PRO 40 -4.665 -10.473 6.949 267 HD2 PRO 40 1HD PRO 40 -2.213 -9.774 7.861 268 HD3 PRO 40 2HD PRO 40 -3.371 -8.586 7.228 269 H SER 41 H SER 41 -2.317 -10.121 10.745 270 HA SER 41 HA SER 41 -3.450 -11.960 12.719 271 HB2 SER 41 1HB SER 41 -1.325 -13.090 12.686 272 HB3 SER 41 2HB SER 41 -1.791 -12.778 11.014 273 HG SER 41 HG SER 41 -0.352 -11.068 10.957 274 H GLY 42 H GLY 42 -1.935 -8.929 12.521 275 HA2 GLY 42 1HA GLY 42 -1.953 -7.561 14.533 276 HA3 GLY 42 2HA GLY 42 -1.457 -8.986 15.434 277 H ARG 43 H ARG 43 0.083 -8.646 12.420 278 HA ARG 43 HA ARG 43 2.512 -7.689 13.778 279 HB2 ARG 43 1HB ARG 43 2.646 -9.967 12.841 280 HB3 ARG 43 2HB ARG 43 2.260 -9.327 11.249 281 HG2 ARG 43 1HG ARG 43 4.332 -7.915 11.432 282 HG3 ARG 43 2HG ARG 43 4.739 -8.843 12.877 283 HD2 ARG 43 1HD ARG 43 4.232 -10.035 10.154 284 HD3 ARG 43 2HD ARG 43 5.830 -9.682 10.811 285 HE ARG 43 HE ARG 43 4.378 -11.315 12.602 286 HH11 ARG 43 1HH1 ARG 43 6.042 -11.422 9.546 287 HH12 ARG 43 2HH1 ARG 43 6.449 -13.101 9.678 288 HH21 ARG 43 1HH2 ARG 43 4.908 -13.526 12.788 289 HH22 ARG 43 2HH2 ARG 43 5.803 -14.297 11.522 290 H VAL 44 H VAL 44 3.102 -5.680 13.332 291 HA VAL 44 HA VAL 44 2.391 -4.551 10.702 292 HB VAL 44 HB VAL 44 1.148 -3.329 12.297 293 HG11 VAL 44 1HG1 VAL 44 3.677 -3.171 13.932 294 HG12 VAL 44 2HG1 VAL 44 2.180 -2.317 14.308 295 HG13 VAL 44 3HG1 VAL 44 2.218 -4.081 14.323 296 HG21 VAL 44 1HG2 VAL 44 3.680 -1.796 11.714 297 HG22 VAL 44 2HG2 VAL 44 2.271 -1.923 10.662 298 HG23 VAL 44 3HG2 VAL 44 2.144 -1.083 12.207 299 H THR 45 H THR 45 3.926 -3.389 9.586 300 HA THR 45 HA THR 45 6.629 -3.304 10.752 301 HB THR 45 HB THR 45 7.449 -3.684 8.350 302 HG1 THR 45 1HG THR 45 5.782 -5.139 7.275 303 HG21 THR 45 1HG2 THR 45 7.848 -5.370 9.974 304 HG22 THR 45 2HG2 THR 45 7.147 -6.188 8.577 305 HG23 THR 45 3HG2 THR 45 6.152 -5.850 9.994 306 H GLU 46 H GLU 46 8.053 -1.972 9.000 307 HA GLU 46 HA GLU 46 6.660 0.603 8.762 308 HB2 GLU 46 1HB GLU 46 8.653 0.646 10.160 309 HB3 GLU 46 2HB GLU 46 9.613 -0.037 8.855 310 HG2 GLU 46 1HG GLU 46 9.366 1.946 7.545 311 HG3 GLU 46 2HG GLU 46 8.211 2.618 8.694 312 H ALA 47 H ALA 47 6.262 1.478 6.832 313 HA ALA 47 HA ALA 47 7.148 0.046 4.451 314 HB1 ALA 47 1HB ALA 47 5.449 1.234 3.269 315 HB2 ALA 47 2HB ALA 47 4.751 0.664 4.785 316 HB3 ALA 47 3HB ALA 47 5.221 2.355 4.612 317 H GLU 48 H GLU 48 7.896 1.266 2.560 318 HA GLU 48 HA GLU 48 9.572 3.550 3.369 319 HB2 GLU 48 1HB GLU 48 10.910 1.629 2.731 320 HB3 GLU 48 2HB GLU 48 10.029 1.477 1.218 321 HG2 GLU 48 1HG GLU 48 11.890 2.543 0.476 322 HG3 GLU 48 2HG GLU 48 10.884 3.939 0.859 323 H ILE 49 H ILE 49 9.521 5.410 2.203 324 HA ILE 49 HA ILE 49 7.527 5.539 0.040 325 HB ILE 49 HB ILE 49 8.520 7.763 1.827 326 HG12 ILE 49 1HG1 ILE 49 5.720 6.673 1.745 327 HG13 ILE 49 2HG1 ILE 49 6.947 5.916 2.755 328 HG21 ILE 49 1HG2 ILE 49 7.970 8.809 -0.175 329 HG22 ILE 49 2HG2 ILE 49 6.636 7.703 -0.499 330 HG23 ILE 49 3HG2 ILE 49 6.480 8.925 0.762 331 HD11 ILE 49 1HD1 ILE 49 7.314 8.261 3.717 332 HD12 ILE 49 2HD1 ILE 49 5.765 8.653 2.969 333 HD13 ILE 49 3HD1 ILE 49 5.859 7.380 4.186 334 H VAL 50 H VAL 50 8.766 5.136 -1.747 335 HA VAL 50 HA VAL 50 11.350 6.202 -2.190 336 HB VAL 50 HB VAL 50 9.337 5.171 -4.194 337 HG11 VAL 50 1HG1 VAL 50 12.298 5.284 -4.624 338 HG12 VAL 50 2HG1 VAL 50 11.001 5.141 -5.813 339 HG13 VAL 50 3HG1 VAL 50 11.281 6.677 -4.991 340 HG21 VAL 50 1HG2 VAL 50 11.106 3.873 -2.282 341 HG22 VAL 50 2HG2 VAL 50 9.761 3.209 -3.211 342 HG23 VAL 50 3HG2 VAL 50 11.364 3.321 -3.938 343 HA PRO 51 HA PRO 51 10.378 10.341 -3.371 344 HB2 PRO 51 1HB PRO 51 12.691 10.927 -4.665 345 HB3 PRO 51 2HB PRO 51 12.576 10.820 -2.904 346 HG2 PRO 51 1HG PRO 51 13.572 8.788 -4.864 347 HG3 PRO 51 2HG PRO 51 14.254 9.258 -3.296 348 HD2 PRO 51 1HD PRO 51 12.766 7.020 -3.626 349 HD3 PRO 51 2HD PRO 51 12.765 7.954 -2.116 350 H MET 52 H MET 52 8.734 10.205 -4.871 351 HA MET 52 HA MET 52 9.335 9.384 -7.596 352 HB2 MET 52 1HB MET 52 6.803 10.125 -6.148 353 HB3 MET 52 2HB MET 52 6.841 9.948 -7.898 354 HG2 MET 52 1HG MET 52 7.964 7.635 -7.264 355 HG3 MET 52 2HG MET 52 7.060 7.896 -5.774 356 HE1 MET 52 1HE MET 52 6.417 6.242 -9.456 357 HE2 MET 52 2HE MET 52 7.129 5.732 -7.925 358 HE3 MET 52 3HE MET 52 5.473 5.271 -8.325 359 H GLY 53 H GLY 53 7.891 12.251 -6.027 360 HA2 GLY 53 1HA GLY 53 9.375 14.006 -7.777 361 HA3 GLY 53 2HA GLY 53 7.649 13.968 -8.105 362 H LYS 54 H LYS 54 7.091 15.988 -7.459 363 HA LYS 54 HA LYS 54 8.043 17.127 -5.001 364 HB2 LYS 54 1HB LYS 54 7.235 18.289 -7.224 365 HB3 LYS 54 2HB LYS 54 5.656 18.195 -6.454 366 HG2 LYS 54 1HG LYS 54 8.031 19.408 -5.077 367 HG3 LYS 54 2HG LYS 54 6.978 20.340 -6.145 368 HD2 LYS 54 1HD LYS 54 5.812 18.721 -3.913 369 HD3 LYS 54 2HD LYS 54 6.509 20.310 -3.588 370 HE2 LYS 54 1HE LYS 54 4.573 20.032 -5.833 371 HE3 LYS 54 2HE LYS 54 3.954 20.018 -4.182 372 HZ1 LYS 54 1HZ LYS 54 4.016 22.221 -4.296 373 HZ2 LYS 54 2HZ LYS 54 4.903 22.213 -5.736 374 HZ3 LYS 54 3HZ LYS 54 5.705 22.120 -4.250 375 H ASN 55 H ASN 55 4.774 16.244 -6.136 376 HA ASN 55 HA ASN 55 4.040 15.770 -3.321 377 HB2 ASN 55 1HB ASN 55 1.651 16.159 -4.220 378 HB3 ASN 55 2HB ASN 55 2.695 17.563 -4.013 379 HD21 ASN 55 1HD2 ASN 55 2.253 18.945 -5.568 380 HD22 ASN 55 2HD2 ASN 55 2.085 18.567 -7.245 381 H SER 56 H SER 56 5.270 13.856 -5.123 382 HA SER 56 HA SER 56 3.065 11.919 -5.394 383 HB2 SER 56 1HB SER 56 5.610 12.232 -6.988 384 HB3 SER 56 2HB SER 56 4.626 10.770 -7.049 385 HG SER 56 HG SER 56 4.285 12.767 -8.561 386 H HIS 57 H HIS 57 3.165 10.088 -4.250 387 HA HIS 57 HA HIS 57 5.732 9.294 -3.065 388 HB2 HIS 57 1HB HIS 57 3.215 9.033 -1.462 389 HB3 HIS 57 2HB HIS 57 4.884 9.108 -0.908 390 HD1 HIS 57 1HD HIS 57 6.015 11.615 -1.432 391 HD2 HIS 57 2HD HIS 57 1.888 11.343 -1.044 392 HE1 HIS 57 1HE HIS 57 5.232 13.951 -0.928 393 HE2 HIS 57 2HE HIS 57 2.741 13.746 -0.613 394 H CYS 58 H CYS 58 6.112 7.132 -2.998 395 HA CYS 58 HA CYS 58 3.924 5.345 -3.824 396 HB2 CYS 58 1HB CYS 58 5.820 5.981 -5.564 397 HB3 CYS 58 2HB CYS 58 6.718 4.747 -4.689 398 HG CYS 58 HG CYS 58 3.864 3.391 -5.253 399 H VAL 59 H VAL 59 3.562 3.816 -2.371 400 HA VAL 59 HA VAL 59 5.636 3.192 -0.404 401 HB VAL 59 HB VAL 59 2.718 2.410 -0.416 402 HG11 VAL 59 1HG1 VAL 59 4.344 2.417 2.058 403 HG12 VAL 59 2HG1 VAL 59 3.023 1.354 1.569 404 HG13 VAL 59 3HG1 VAL 59 4.640 1.115 0.907 405 HG21 VAL 59 1HG2 VAL 59 4.008 4.884 0.230 406 HG22 VAL 59 2HG2 VAL 59 2.292 4.481 0.268 407 HG23 VAL 59 3HG2 VAL 59 3.298 4.185 1.686 408 H ARG 60 H ARG 60 6.963 1.608 -1.027 409 HA ARG 60 HA ARG 60 5.862 -0.683 -2.493 410 HB2 ARG 60 1HB ARG 60 8.552 0.578 -2.310 411 HB3 ARG 60 2HB ARG 60 8.485 -1.157 -2.585 412 HG2 ARG 60 1HG ARG 60 7.009 -0.726 -4.541 413 HG3 ARG 60 2HG ARG 60 7.282 1.001 -4.300 414 HD2 ARG 60 1HD ARG 60 9.659 0.708 -4.650 415 HD3 ARG 60 2HD ARG 60 9.452 -1.039 -4.774 416 HE ARG 60 HE ARG 60 7.840 -0.040 -6.726 417 HH11 ARG 60 1HH1 ARG 60 11.205 0.326 -5.913 418 HH12 ARG 60 2HH1 ARG 60 11.707 0.580 -7.552 419 HH21 ARG 60 1HH2 ARG 60 8.489 0.292 -8.887 420 HH22 ARG 60 2HH2 ARG 60 10.162 0.561 -9.243 421 H PHE 61 H PHE 61 5.574 -2.573 -1.514 422 HA PHE 61 HA PHE 61 7.276 -3.418 0.663 423 HB2 PHE 61 1HB PHE 61 5.422 -3.791 2.243 424 HB3 PHE 61 2HB PHE 61 5.623 -2.083 1.868 425 HD1 PHE 61 1HD PHE 61 3.690 -5.056 0.716 426 HD2 PHE 61 2HD PHE 61 3.755 -0.848 1.356 427 HE1 PHE 61 1HE PHE 61 1.319 -4.925 0.073 428 HE2 PHE 61 2HE PHE 61 1.383 -0.711 0.715 429 HZ PHE 61 HZ PHE 61 0.162 -2.751 0.073 430 H VAL 62 H VAL 62 6.585 -5.641 1.456 431 HA VAL 62 HA VAL 62 5.592 -7.190 -0.845 432 HB VAL 62 HB VAL 62 7.383 -8.162 1.384 433 HG11 VAL 62 1HG1 VAL 62 6.199 -9.422 -1.047 434 HG12 VAL 62 2HG1 VAL 62 7.780 -9.959 -0.475 435 HG13 VAL 62 3HG1 VAL 62 6.373 -10.069 0.584 436 HG21 VAL 62 1HG2 VAL 62 8.790 -6.733 0.248 437 HG22 VAL 62 2HG2 VAL 62 9.039 -8.240 -0.633 438 HG23 VAL 62 3HG2 VAL 62 7.983 -6.994 -1.298 439 HA PRO 63 HA PRO 63 2.220 -7.860 2.109 440 HB2 PRO 63 1HB PRO 63 0.454 -8.690 0.221 441 HB3 PRO 63 2HB PRO 63 0.788 -6.983 0.541 442 HG2 PRO 63 1HG PRO 63 1.865 -8.751 -1.622 443 HG3 PRO 63 2HG PRO 63 1.291 -7.076 -1.728 444 HD2 PRO 63 1HD PRO 63 3.921 -7.710 -1.617 445 HD3 PRO 63 2HD PRO 63 3.269 -6.214 -0.918 446 H GLN 64 H GLN 64 0.673 -9.821 2.287 447 HA GLN 64 HA GLN 64 2.295 -12.248 1.947 448 HB2 GLN 64 1HB GLN 64 0.060 -11.625 3.882 449 HB3 GLN 64 2HB GLN 64 0.843 -13.194 3.746 450 HG2 GLN 64 1HG GLN 64 2.301 -10.648 4.406 451 HG3 GLN 64 2HG GLN 64 1.660 -11.760 5.615 452 HE21 GLN 64 1HE2 GLN 64 4.056 -11.272 3.148 453 HE22 GLN 64 2HE2 GLN 64 5.068 -12.604 3.581 454 H GLU 65 H GLU 65 0.864 -14.300 1.833 455 HA GLU 65 HA GLU 65 -0.800 -14.003 -0.511 456 HB2 GLU 65 1HB GLU 65 -0.871 -16.457 -0.505 457 HB3 GLU 65 2HB GLU 65 0.778 -15.858 -0.391 458 HG2 GLU 65 1HG GLU 65 0.471 -16.152 2.150 459 HG3 GLU 65 2HG GLU 65 -0.898 -17.170 1.706 460 H MET 66 H MET 66 -2.962 -14.040 -0.594 461 HA MET 66 HA MET 66 -5.104 -13.812 0.176 462 HB2 MET 66 1HB MET 66 -4.325 -16.342 1.637 463 HB3 MET 66 2HB MET 66 -5.970 -15.807 1.320 464 HG2 MET 66 1HG MET 66 -5.727 -17.269 -0.391 465 HG3 MET 66 2HG MET 66 -5.111 -15.816 -1.176 466 HE1 MET 66 1HE MET 66 -2.362 -17.386 -2.854 467 HE2 MET 66 2HE MET 66 -3.812 -16.382 -2.819 468 HE3 MET 66 3HE MET 66 -2.306 -15.783 -2.121 469 H GLY 67 H GLY 67 -3.537 -12.103 1.563 470 HA2 GLY 67 1HA GLY 67 -4.710 -12.252 4.263 471 HA3 GLY 67 2HA GLY 67 -3.010 -11.855 4.058 472 H VAL 68 H VAL 68 -5.894 -10.524 4.694 473 HA VAL 68 HA VAL 68 -5.699 -8.163 3.037 474 HB VAL 68 HB VAL 68 -7.508 -8.740 5.388 475 HG11 VAL 68 1HG1 VAL 68 -7.043 -6.349 3.802 476 HG12 VAL 68 2HG1 VAL 68 -8.730 -6.864 3.775 477 HG13 VAL 68 3HG1 VAL 68 -7.927 -6.549 5.314 478 HG21 VAL 68 1HG2 VAL 68 -8.011 -10.289 3.664 479 HG22 VAL 68 2HG2 VAL 68 -9.226 -9.016 3.562 480 HG23 VAL 68 3HG2 VAL 68 -7.886 -9.048 2.417 481 H HIS 69 H HIS 69 -4.194 -6.690 3.458 482 HA HIS 69 HA HIS 69 -3.423 -6.193 6.248 483 HB2 HIS 69 1HB HIS 69 -1.986 -5.288 3.749 484 HB3 HIS 69 2HB HIS 69 -1.376 -5.249 5.400 485 HD1 HIS 69 1HD HIS 69 -2.700 -7.962 3.068 486 HD2 HIS 69 2HD HIS 69 0.329 -7.287 5.831 487 HE1 HIS 69 1HE HIS 69 -1.344 -10.080 3.110 488 HE2 HIS 69 2HE HIS 69 0.432 -9.678 4.850 489 H THR 70 H THR 70 -2.900 -3.907 6.800 490 HA THR 70 HA THR 70 -4.699 -2.026 5.417 491 HB THR 70 HB THR 70 -4.201 -1.816 8.368 492 HG1 THR 70 1HG THR 70 -5.130 -3.765 8.411 493 HG21 THR 70 1HG2 THR 70 -5.344 -0.061 6.795 494 HG22 THR 70 2HG2 THR 70 -6.034 -0.409 8.381 495 HG23 THR 70 3HG2 THR 70 -6.735 -1.136 6.935 496 H VAL 71 H VAL 71 -3.740 -0.231 4.726 497 HA VAL 71 HA VAL 71 -1.000 0.319 5.544 498 HB VAL 71 HB VAL 71 -2.691 1.645 3.420 499 HG11 VAL 71 1HG1 VAL 71 -0.357 2.364 2.621 500 HG12 VAL 71 2HG1 VAL 71 -1.066 3.221 3.991 501 HG13 VAL 71 3HG1 VAL 71 0.167 1.989 4.262 502 HG21 VAL 71 1HG2 VAL 71 -2.349 -0.517 2.639 503 HG22 VAL 71 2HG2 VAL 71 -1.000 0.375 1.935 504 HG23 VAL 71 3HG2 VAL 71 -0.743 -0.630 3.361 505 H SER 72 H SER 72 -0.824 1.441 7.384 506 HA SER 72 HA SER 72 -2.761 3.497 8.061 507 HB2 SER 72 1HB SER 72 -1.128 3.689 10.107 508 HB3 SER 72 2HB SER 72 -2.202 2.297 9.971 509 HG SER 72 HG SER 72 -0.535 1.034 9.463 510 H VAL 73 H VAL 73 -2.529 5.530 7.442 511 HA VAL 73 HA VAL 73 0.190 6.619 7.135 512 HB VAL 73 HB VAL 73 -2.144 7.242 5.320 513 HG11 VAL 73 1HG1 VAL 73 0.747 8.068 5.091 514 HG12 VAL 73 2HG1 VAL 73 -0.586 8.548 4.038 515 HG13 VAL 73 3HG1 VAL 73 -0.541 9.099 5.713 516 HG21 VAL 73 1HG2 VAL 73 -1.505 5.605 3.951 517 HG22 VAL 73 2HG2 VAL 73 0.193 6.066 4.073 518 HG23 VAL 73 3HG2 VAL 73 -0.519 4.995 5.280 519 H LYS 74 H LYS 74 0.276 7.839 8.951 520 HA LYS 74 HA LYS 74 -1.905 9.763 9.412 521 HB2 LYS 74 1HB LYS 74 -0.059 8.294 11.226 522 HB3 LYS 74 2HB LYS 74 -0.536 9.919 11.701 523 HG2 LYS 74 1HG LYS 74 -2.946 9.032 11.193 524 HG3 LYS 74 2HG LYS 74 -2.188 7.457 11.440 525 HD2 LYS 74 1HD LYS 74 -1.797 7.840 13.660 526 HD3 LYS 74 2HD LYS 74 -1.662 9.587 13.446 527 HE2 LYS 74 1HE LYS 74 -4.300 8.302 12.957 528 HE3 LYS 74 2HE LYS 74 -3.758 8.485 14.625 529 HZ1 LYS 74 1HZ LYS 74 -5.074 10.368 13.270 530 HZ2 LYS 74 2HZ LYS 74 -3.480 10.842 12.963 531 HZ3 LYS 74 3HZ LYS 74 -4.026 10.699 14.557 532 H TYR 75 H TYR 75 -1.356 11.926 10.010 533 HA TYR 75 HA TYR 75 1.384 12.763 9.384 534 HB2 TYR 75 1HB TYR 75 0.373 13.211 7.318 535 HB3 TYR 75 2HB TYR 75 -1.140 13.717 8.061 536 HD1 TYR 75 1HD TYR 75 2.440 14.720 7.776 537 HD2 TYR 75 2HD TYR 75 -1.585 15.982 8.329 538 HE1 TYR 75 1HE TYR 75 3.162 17.067 7.633 539 HE2 TYR 75 2HE TYR 75 -0.875 18.332 8.185 540 HH TYR 75 HH TYR 75 0.840 19.703 7.573 541 H ARG 76 H ARG 76 2.013 13.567 11.288 542 HA ARG 76 HA ARG 76 2.136 14.909 13.120 543 HB2 ARG 76 1HB ARG 76 0.353 16.457 11.296 544 HB3 ARG 76 2HB ARG 76 0.498 16.987 12.966 545 HG2 ARG 76 1HG ARG 76 3.067 16.790 12.472 546 HG3 ARG 76 2HG ARG 76 2.533 16.961 10.799 547 HD2 ARG 76 1HD ARG 76 3.090 19.129 11.752 548 HD3 ARG 76 2HD ARG 76 1.369 19.032 11.385 549 HE ARG 76 HE ARG 76 1.583 18.283 14.013 550 HH11 ARG 76 1HH1 ARG 76 2.462 21.080 12.136 551 HH12 ARG 76 2HH1 ARG 76 2.271 22.187 13.455 552 HH21 ARG 76 1HH2 ARG 76 1.328 19.730 15.757 553 HH22 ARG 76 2HH2 ARG 76 1.626 21.418 15.515 554 H GLY 77 H GLY 77 0.142 12.701 12.917 555 HA2 GLY 77 1HA GLY 77 -1.191 11.766 14.589 556 HA3 GLY 77 2HA GLY 77 -1.280 13.340 15.366 557 H GLN 78 H GLN 78 -2.096 12.477 12.028 558 HA GLN 78 HA GLN 78 -4.930 12.638 12.555 559 HB2 GLN 78 1HB GLN 78 -3.491 14.777 10.991 560 HB3 GLN 78 2HB GLN 78 -5.216 14.478 10.825 561 HG2 GLN 78 1HG GLN 78 -5.401 14.849 13.309 562 HG3 GLN 78 2HG GLN 78 -3.732 15.415 13.262 563 HE21 GLN 78 1HE2 GLN 78 -6.987 16.217 12.798 564 HE22 GLN 78 2HE2 GLN 78 -6.760 17.816 12.186 565 H HIS 79 H HIS 79 -5.771 11.056 11.387 566 HA HIS 79 HA HIS 79 -4.411 9.750 9.293 567 HB2 HIS 79 1HB HIS 79 -7.187 9.633 10.402 568 HB3 HIS 79 2HB HIS 79 -6.844 8.827 8.874 569 HD1 HIS 79 1HD HIS 79 -4.333 7.382 9.245 570 HD2 HIS 79 2HD HIS 79 -7.040 7.803 12.369 571 HE1 HIS 79 1HE HIS 79 -3.801 5.522 10.851 572 HE2 HIS 79 2HE HIS 79 -5.507 5.745 12.691 573 H VAL 80 H VAL 80 -4.229 10.227 7.207 574 HA VAL 80 HA VAL 80 -5.381 12.574 6.104 575 HB VAL 80 HB VAL 80 -4.350 11.901 4.000 576 HG11 VAL 80 1HG1 VAL 80 -2.979 12.914 5.801 577 HG12 VAL 80 2HG1 VAL 80 -2.511 11.291 6.310 578 HG13 VAL 80 3HG1 VAL 80 -2.052 11.882 4.713 579 HG21 VAL 80 1HG2 VAL 80 -3.303 9.798 3.659 580 HG22 VAL 80 2HG2 VAL 80 -3.525 9.337 5.347 581 HG23 VAL 80 3HG2 VAL 80 -4.921 9.462 4.275 582 H THR 81 H THR 81 -6.447 12.398 3.833 583 HA THR 81 HA THR 81 -9.017 11.352 4.157 584 HB THR 81 HB THR 81 -7.652 12.025 1.543 585 HG1 THR 81 1HG THR 81 -8.996 13.607 3.479 586 HG21 THR 81 1HG2 THR 81 -10.578 11.903 2.286 587 HG22 THR 81 2HG2 THR 81 -9.724 10.766 1.244 588 HG23 THR 81 3HG2 THR 81 -9.934 12.442 0.736 589 H GLY 82 H GLY 82 -9.776 9.348 4.015 590 HA2 GLY 82 1HA GLY 82 -10.120 7.264 2.982 591 HA3 GLY 82 2HA GLY 82 -8.636 7.495 2.070 592 H SER 83 H SER 83 -6.825 8.000 4.087 593 HA SER 83 HA SER 83 -6.113 5.435 4.910 594 HB2 SER 83 1HB SER 83 -4.492 7.262 4.753 595 HB3 SER 83 2HB SER 83 -5.277 8.095 6.094 596 HG SER 83 HG SER 83 -4.453 6.683 7.482 597 HA PRO 84 HA PRO 84 -5.035 4.314 6.485 598 HB2 PRO 84 1HB PRO 84 -5.878 1.871 7.316 599 HB3 PRO 84 2HB PRO 84 -5.085 3.030 8.390 600 HG2 PRO 84 1HG PRO 84 -8.001 2.434 8.068 601 HG3 PRO 84 2HG PRO 84 -7.069 2.690 9.555 602 HD2 PRO 84 1HD PRO 84 -8.616 4.621 8.455 603 HD3 PRO 84 2HD PRO 84 -7.122 4.984 9.343 604 H PHE 85 H PHE 85 -4.729 2.856 4.767 605 HA PHE 85 HA PHE 85 -7.109 2.485 3.083 606 HB2 PHE 85 1HB PHE 85 -4.188 2.458 2.293 607 HB3 PHE 85 2HB PHE 85 -5.558 2.336 1.194 608 HD1 PHE 85 2HD PHE 85 -7.056 4.286 0.875 609 HD2 PHE 85 1HD PHE 85 -3.442 4.547 3.108 610 HE1 PHE 85 2HE PHE 85 -7.112 6.737 0.672 611 HE2 PHE 85 1HE PHE 85 -3.492 6.999 2.910 612 HZ PHE 85 HZ PHE 85 -5.328 8.097 1.689 613 H GLN 86 H GLN 86 -7.963 0.523 3.286 614 HA GLN 86 HA GLN 86 -6.265 -1.763 3.897 615 HB2 GLN 86 1HB GLN 86 -8.624 -1.165 4.915 616 HB3 GLN 86 2HB GLN 86 -9.216 -1.992 3.480 617 HG2 GLN 86 1HG GLN 86 -8.400 -4.032 4.148 618 HG3 GLN 86 2HG GLN 86 -7.162 -3.318 5.181 619 HE21 GLN 86 1HE2 GLN 86 -10.701 -3.159 4.916 620 HE22 GLN 86 2HE2 GLN 86 -11.008 -3.436 6.594 621 H PHE 87 H PHE 87 -5.964 -3.514 2.575 622 HA PHE 87 HA PHE 87 -7.318 -3.651 0.011 623 HB2 PHE 87 1HB PHE 87 -5.348 -3.565 -1.340 624 HB3 PHE 87 2HB PHE 87 -5.322 -2.142 -0.305 625 HD1 PHE 87 2HD PHE 87 -3.973 -5.585 -0.611 626 HD2 PHE 87 1HD PHE 87 -3.481 -1.694 1.041 627 HE1 PHE 87 2HE PHE 87 -1.729 -6.210 0.181 628 HE2 PHE 87 1HE PHE 87 -1.236 -2.312 1.836 629 HZ PHE 87 HZ PHE 87 -0.358 -4.573 1.408 630 H THR 88 H THR 88 -7.463 -5.699 -0.772 631 HA THR 88 HA THR 88 -6.376 -7.814 0.935 632 HB THR 88 HB THR 88 -8.491 -7.981 -1.222 633 HG1 THR 88 1HG THR 88 -9.867 -8.246 0.670 634 HG21 THR 88 1HG2 THR 88 -7.759 -10.152 -1.115 635 HG22 THR 88 2HG2 THR 88 -8.921 -10.163 0.212 636 HG23 THR 88 3HG2 THR 88 -7.199 -9.995 0.550 637 H VAL 89 H VAL 89 -5.087 -9.453 0.181 638 HA VAL 89 HA VAL 89 -3.943 -9.042 -2.499 639 HB VAL 89 HB VAL 89 -2.732 -10.525 -0.163 640 HG11 VAL 89 1HG1 VAL 89 -0.923 -9.598 -2.221 641 HG12 VAL 89 2HG1 VAL 89 -1.123 -11.214 -1.540 642 HG13 VAL 89 3HG1 VAL 89 -2.148 -10.685 -2.875 643 HG21 VAL 89 1HG2 VAL 89 -1.617 -7.964 -1.170 644 HG22 VAL 89 2HG2 VAL 89 -3.060 -7.893 -0.159 645 HG23 VAL 89 3HG2 VAL 89 -1.590 -8.649 0.455 646 H GLY 90 H GLY 90 -3.859 -10.683 -3.969 647 HA2 GLY 90 1HA GLY 90 -5.298 -13.149 -3.219 648 HA3 GLY 90 2HA GLY 90 -5.279 -12.458 -4.835 649 HA PRO 91 HA PRO 91 -2.206 -15.880 -4.845 650 HB2 PRO 91 1HB PRO 91 -2.819 -16.709 -7.356 651 HB3 PRO 91 2HB PRO 91 -3.706 -17.245 -5.924 652 HG2 PRO 91 1HG PRO 91 -4.416 -15.117 -7.906 653 HG3 PRO 91 2HG PRO 91 -5.454 -16.355 -7.174 654 HD2 PRO 91 1HD PRO 91 -5.414 -13.790 -6.308 655 HD3 PRO 91 2HD PRO 91 -5.715 -15.160 -5.220 656 H LEU 92 H LEU 92 -0.195 -15.882 -5.774 657 HA LEU 92 HA LEU 92 0.897 -13.548 -6.761 658 HB2 LEU 92 1HB LEU 92 2.861 -14.739 -7.146 659 HB3 LEU 92 2HB LEU 92 2.063 -15.619 -5.844 660 HG LEU 92 HG LEU 92 1.978 -16.447 -8.743 661 HD11 LEU 92 1HD1 LEU 92 4.271 -16.452 -7.611 662 HD12 LEU 92 2HD1 LEU 92 3.718 -17.955 -8.348 663 HD13 LEU 92 3HD1 LEU 92 3.627 -17.745 -6.600 664 HD21 LEU 92 1HD2 LEU 92 1.157 -18.551 -7.868 665 HD22 LEU 92 2HD2 LEU 92 0.112 -17.231 -7.343 666 HD23 LEU 92 3HD2 LEU 92 1.272 -17.939 -6.218 667 H GLY 93 H GLY 93 -1.062 -15.806 -8.390 668 HA2 GLY 93 1HA GLY 93 -2.032 -15.151 -10.504 669 HA3 GLY 93 2HA GLY 93 -0.485 -14.440 -10.938 670 H GLU 94 H GLU 94 0.796 -15.584 -12.230 671 HA GLU 94 HA GLU 94 -0.001 -18.137 -13.181 672 HB2 GLU 94 1HB GLU 94 2.408 -16.399 -13.612 673 HB3 GLU 94 2HB GLU 94 2.364 -18.035 -14.253 674 HG2 GLU 94 1HG GLU 94 0.329 -15.901 -14.852 675 HG3 GLU 94 2HG GLU 94 1.690 -16.322 -15.890 676 H GLY 95 H GLY 95 0.058 -19.828 -11.818 677 HA2 GLY 95 1HA GLY 95 2.657 -20.700 -10.859 678 HA3 GLY 95 2HA GLY 95 1.481 -20.338 -9.604 679 H GLY 96 H GLY 96 1.397 -22.468 -8.869 680 HA2 GLY 96 1HA GLY 96 -0.083 -24.339 -8.840 681 HA3 GLY 96 2HA GLY 96 -0.197 -24.236 -10.591 682 H SER 97 H SER 97 2.604 -24.381 -8.401 683 HA SER 97 HA SER 97 4.244 -25.898 -9.993 684 HB2 SER 97 1HB SER 97 4.907 -24.811 -7.845 685 HB3 SER 97 2HB SER 97 4.089 -26.110 -6.976 686 HG SER 97 HG SER 97 6.544 -26.087 -8.113 687 H GLY 98 H GLY 98 4.516 -28.023 -10.469 688 HA2 GLY 98 1HA GLY 98 2.834 -29.994 -9.088 689 HA3 GLY 98 2HA GLY 98 2.698 -29.850 -10.834 690 HA PRO 99 HA PRO 99 6.251 -32.715 -9.422 691 HB2 PRO 99 1HB PRO 99 5.033 -35.114 -9.785 692 HB3 PRO 99 2HB PRO 99 5.014 -34.251 -8.243 693 HG2 PRO 99 1HG PRO 99 2.908 -34.381 -10.367 694 HG3 PRO 99 2HG PRO 99 2.729 -34.483 -8.606 695 HD2 PRO 99 1HD PRO 99 2.223 -32.213 -9.993 696 HD3 PRO 99 2HD PRO 99 2.857 -32.198 -8.334 697 H SER 100 H SER 100 7.572 -33.793 -10.881 698 HA SER 100 HA SER 100 6.955 -33.352 -13.665 699 HB2 SER 100 1HB SER 100 9.235 -32.987 -12.599 700 HB3 SER 100 2HB SER 100 9.394 -34.743 -12.549 701 HG SER 100 HG SER 100 8.793 -34.476 -14.935 702 H SER 101 H SER 101 5.627 -34.745 -14.633 703 HA SER 101 HA SER 101 6.340 -37.563 -14.657 704 HB2 SER 101 1HB SER 101 4.208 -38.385 -13.987 705 HB3 SER 101 2HB SER 101 4.666 -37.186 -12.778 706 HG SER 101 HG SER 101 2.982 -36.675 -15.005 707 H GLY 102 H GLY 102 5.744 -38.621 -16.525 708 HA2 GLY 102 1HA GLY 102 4.063 -37.177 -18.447 709 HA3 GLY 102 2HA GLY 102 5.701 -37.595 -18.926 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -20.097 6.952 0.029 2 HA2 GLY 1 1HA GLY 1 -19.002 8.447 -2.168 3 HA3 GLY 1 2HA GLY 1 -18.239 6.876 -1.970 4 H SER 2 H SER 2 -18.997 5.967 -3.846 5 HA SER 2 HA SER 2 -21.922 5.691 -4.073 6 HB2 SER 2 1HB SER 2 -19.791 5.586 -6.219 7 HB3 SER 2 2HB SER 2 -21.494 5.220 -6.493 8 HG SER 2 HG SER 2 -22.014 7.319 -6.047 9 H SER 3 H SER 3 -22.616 3.627 -5.158 10 HA SER 3 HA SER 3 -21.281 1.407 -3.831 11 HB2 SER 3 1HB SER 3 -23.859 1.902 -3.913 12 HB3 SER 3 2HB SER 3 -23.767 1.092 -5.476 13 HG SER 3 HG SER 3 -22.598 -0.106 -3.221 14 H GLY 4 H GLY 4 -21.164 -0.704 -5.060 15 HA2 GLY 4 1HA GLY 4 -20.376 -0.220 -7.865 16 HA3 GLY 4 2HA GLY 4 -19.365 -1.159 -6.776 17 H SER 5 H SER 5 -19.517 -3.268 -7.078 18 HA SER 5 HA SER 5 -22.113 -4.377 -7.929 19 HB2 SER 5 1HB SER 5 -20.832 -6.130 -9.137 20 HB3 SER 5 2HB SER 5 -20.520 -4.512 -9.765 21 HG SER 5 HG SER 5 -18.749 -6.243 -8.933 22 H SER 6 H SER 6 -22.168 -6.838 -7.493 23 HA SER 6 HA SER 6 -21.101 -7.318 -4.787 24 HB2 SER 6 1HB SER 6 -23.097 -8.382 -4.155 25 HB3 SER 6 2HB SER 6 -23.652 -7.001 -5.101 26 HG SER 6 HG SER 6 -24.430 -8.317 -6.546 27 H GLY 7 H GLY 7 -19.923 -9.108 -4.472 28 HA2 GLY 7 1HA GLY 7 -19.899 -11.587 -5.085 29 HA3 GLY 7 2HA GLY 7 -19.716 -10.995 -6.729 30 H ARG 8 H ARG 8 -17.712 -11.701 -7.229 31 HA ARG 8 HA ARG 8 -15.522 -11.463 -5.368 32 HB2 ARG 8 1HB ARG 8 -14.169 -12.397 -7.224 33 HB3 ARG 8 2HB ARG 8 -15.576 -13.379 -6.840 34 HG2 ARG 8 1HG ARG 8 -16.765 -12.364 -8.749 35 HG3 ARG 8 2HG ARG 8 -15.296 -11.474 -9.154 36 HD2 ARG 8 1HD ARG 8 -14.101 -13.532 -9.536 37 HD3 ARG 8 2HD ARG 8 -15.482 -14.478 -8.982 38 HE ARG 8 HE ARG 8 -16.382 -12.934 -11.092 39 HH11 ARG 8 1HH1 ARG 8 -14.010 -15.427 -10.567 40 HH12 ARG 8 2HH1 ARG 8 -14.119 -16.052 -12.179 41 HH21 ARG 8 1HH2 ARG 8 -16.535 -13.748 -13.218 42 HH22 ARG 8 2HH2 ARG 8 -15.555 -15.096 -13.686 43 H ALA 9 H ALA 9 -13.768 -10.091 -5.506 44 HA ALA 9 HA ALA 9 -14.112 -7.784 -7.307 45 HB1 ALA 9 1HB ALA 9 -13.051 -7.974 -4.507 46 HB2 ALA 9 2HB ALA 9 -12.678 -6.598 -5.547 47 HB3 ALA 9 3HB ALA 9 -14.353 -6.962 -5.133 48 HA PRO 10 HA PRO 10 -10.279 -8.787 -9.227 49 HB2 PRO 10 1HB PRO 10 -9.606 -6.331 -10.166 50 HB3 PRO 10 2HB PRO 10 -10.892 -7.312 -10.878 51 HG2 PRO 10 1HG PRO 10 -11.097 -5.033 -8.948 52 HG3 PRO 10 2HG PRO 10 -12.086 -5.380 -10.379 53 HD2 PRO 10 1HD PRO 10 -12.909 -5.954 -7.864 54 HD3 PRO 10 2HD PRO 10 -13.370 -6.939 -9.267 55 H SER 11 H SER 11 -8.811 -9.342 -7.665 56 HA SER 11 HA SER 11 -7.811 -8.078 -5.539 57 HB2 SER 11 1HB SER 11 -5.608 -9.174 -5.979 58 HB3 SER 11 2HB SER 11 -6.983 -10.260 -6.183 59 HG SER 11 HG SER 11 -6.740 -9.386 -8.521 60 H VAL 12 H VAL 12 -7.282 -6.018 -5.256 61 HA VAL 12 HA VAL 12 -6.315 -4.342 -7.349 62 HB VAL 12 HB VAL 12 -5.885 -2.727 -5.392 63 HG11 VAL 12 1HG1 VAL 12 -8.738 -3.588 -5.450 64 HG12 VAL 12 2HG1 VAL 12 -8.046 -1.968 -5.546 65 HG13 VAL 12 3HG1 VAL 12 -7.979 -3.041 -6.945 66 HG21 VAL 12 1HG2 VAL 12 -7.732 -4.356 -3.767 67 HG22 VAL 12 2HG2 VAL 12 -6.065 -4.925 -3.848 68 HG23 VAL 12 3HG2 VAL 12 -6.413 -3.296 -3.268 69 H ALA 13 H ALA 13 -4.805 -6.521 -5.233 70 HA ALA 13 HA ALA 13 -2.176 -5.450 -5.989 71 HB1 ALA 13 1HB ALA 13 -1.986 -6.701 -3.426 72 HB2 ALA 13 2HB ALA 13 -1.576 -5.050 -3.892 73 HB3 ALA 13 3HB ALA 13 -3.216 -5.437 -3.373 74 H THR 14 H THR 14 -0.475 -7.244 -5.131 75 HA THR 14 HA THR 14 -1.485 -9.912 -5.802 76 HB THR 14 HB THR 14 0.970 -8.718 -7.103 77 HG1 THR 14 1HG THR 14 -0.963 -7.868 -7.990 78 HG21 THR 14 1HG2 THR 14 -0.431 -11.331 -7.671 79 HG22 THR 14 2HG2 THR 14 1.010 -11.180 -6.664 80 HG23 THR 14 3HG2 THR 14 1.079 -10.752 -8.374 81 H VAL 15 H VAL 15 -0.273 -11.627 -4.965 82 HA VAL 15 HA VAL 15 1.255 -10.968 -2.611 83 HB VAL 15 HB VAL 15 -0.344 -12.847 -2.607 84 HG11 VAL 15 1HG1 VAL 15 -0.040 -14.812 -3.845 85 HG12 VAL 15 2HG1 VAL 15 0.265 -13.513 -5.000 86 HG13 VAL 15 3HG1 VAL 15 1.616 -14.389 -4.279 87 HG21 VAL 15 1HG2 VAL 15 2.155 -14.307 -2.168 88 HG22 VAL 15 2HG2 VAL 15 2.105 -12.718 -1.405 89 HG23 VAL 15 3HG2 VAL 15 0.858 -13.911 -1.040 90 H GLY 16 H GLY 16 3.415 -11.216 -2.278 91 HA2 GLY 16 1HA GLY 16 5.622 -11.780 -2.725 92 HA3 GLY 16 2HA GLY 16 5.085 -12.604 -4.181 93 H SER 17 H SER 17 3.703 -10.399 -5.345 94 HA SER 17 HA SER 17 5.938 -9.072 -6.555 95 HB2 SER 17 1HB SER 17 2.961 -8.673 -6.938 96 HB3 SER 17 2HB SER 17 4.217 -7.951 -7.944 97 HG SER 17 HG SER 17 4.004 -9.728 -9.051 98 H ILE 18 H ILE 18 6.558 -6.955 -6.397 99 HA ILE 18 HA ILE 18 6.130 -5.618 -3.963 100 HB ILE 18 HB ILE 18 7.143 -4.400 -6.534 101 HG12 ILE 18 1HG1 ILE 18 8.322 -6.514 -5.782 102 HG13 ILE 18 2HG1 ILE 18 9.340 -5.084 -5.913 103 HG21 ILE 18 1HG2 ILE 18 6.602 -2.729 -4.886 104 HG22 ILE 18 2HG2 ILE 18 7.493 -3.612 -3.646 105 HG23 ILE 18 3HG2 ILE 18 8.356 -2.881 -5.000 106 HD11 ILE 18 1HD1 ILE 18 9.302 -6.756 -3.794 107 HD12 ILE 18 2HD1 ILE 18 9.805 -5.067 -3.725 108 HD13 ILE 18 3HD1 ILE 18 8.164 -5.519 -3.265 109 H CYS 19 H CYS 19 4.577 -4.290 -3.297 110 HA CYS 19 HA CYS 19 2.588 -3.384 -5.253 111 HB2 CYS 19 1HB CYS 19 2.030 -4.729 -3.089 112 HB3 CYS 19 2HB CYS 19 2.238 -3.181 -2.279 113 HG CYS 19 HG CYS 19 -0.031 -2.129 -2.943 114 H ASP 20 H ASP 20 2.885 -1.398 -6.002 115 HA ASP 20 HA ASP 20 4.161 0.609 -4.285 116 HB2 ASP 20 1HB ASP 20 3.638 0.646 -7.265 117 HB3 ASP 20 2HB ASP 20 4.492 1.893 -6.361 118 H LEU 21 H LEU 21 3.027 2.216 -3.416 119 HA LEU 21 HA LEU 21 0.256 2.602 -4.318 120 HB2 LEU 21 1HB LEU 21 0.996 1.988 -1.868 121 HB3 LEU 21 2HB LEU 21 1.288 3.723 -1.758 122 HG LEU 21 HG LEU 21 -1.164 3.924 -2.600 123 HD11 LEU 21 1HD1 LEU 21 -2.087 1.663 -1.210 124 HD12 LEU 21 2HD1 LEU 21 -0.878 1.089 -2.357 125 HD13 LEU 21 3HD1 LEU 21 -2.258 2.026 -2.927 126 HD21 LEU 21 1HD2 LEU 21 -1.148 2.873 0.155 127 HD22 LEU 21 2HD2 LEU 21 -1.717 4.422 -0.469 128 HD23 LEU 21 3HD2 LEU 21 0.006 4.163 -0.188 129 H ASN 22 H ASN 22 0.219 4.182 -5.801 130 HA ASN 22 HA ASN 22 2.001 6.432 -5.701 131 HB2 ASN 22 1HB ASN 22 0.379 7.218 -7.603 132 HB3 ASN 22 2HB ASN 22 1.480 5.874 -7.891 133 HD21 ASN 22 1HD2 ASN 22 0.664 3.769 -7.957 134 HD22 ASN 22 2HD2 ASN 22 -1.017 3.456 -8.204 135 H LEU 23 H LEU 23 1.721 8.160 -4.470 136 HA LEU 23 HA LEU 23 -1.014 9.097 -3.939 137 HB2 LEU 23 1HB LEU 23 1.201 8.620 -1.978 138 HB3 LEU 23 2HB LEU 23 -0.058 9.808 -1.651 139 HG LEU 23 HG LEU 23 -0.632 6.905 -2.214 140 HD11 LEU 23 1HD1 LEU 23 -1.094 7.001 0.359 141 HD12 LEU 23 2HD1 LEU 23 0.101 8.297 0.317 142 HD13 LEU 23 3HD1 LEU 23 0.531 6.684 -0.250 143 HD21 LEU 23 1HD2 LEU 23 -2.235 9.257 -1.276 144 HD22 LEU 23 2HD2 LEU 23 -2.730 7.607 -0.899 145 HD23 LEU 23 3HD2 LEU 23 -2.583 8.121 -2.580 146 H LYS 24 H LYS 24 -1.293 11.155 -4.472 147 HA LYS 24 HA LYS 24 1.091 12.861 -4.760 148 HB2 LYS 24 1HB LYS 24 -0.322 14.194 -6.342 149 HB3 LYS 24 2HB LYS 24 0.024 12.557 -6.883 150 HG2 LYS 24 1HG LYS 24 -2.231 11.910 -5.939 151 HG3 LYS 24 2HG LYS 24 -2.549 13.639 -5.776 152 HD2 LYS 24 1HD LYS 24 -2.280 13.961 -8.148 153 HD3 LYS 24 2HD LYS 24 -1.774 12.283 -8.358 154 HE2 LYS 24 1HE LYS 24 -3.999 11.559 -7.551 155 HE3 LYS 24 2HE LYS 24 -4.489 13.250 -7.467 156 HZ1 LYS 24 1HZ LYS 24 -4.876 13.291 -9.640 157 HZ2 LYS 24 2HZ LYS 24 -4.725 11.607 -9.635 158 HZ3 LYS 24 3HZ LYS 24 -3.390 12.574 -10.015 159 H ILE 25 H ILE 25 1.142 13.649 -2.656 160 HA ILE 25 HA ILE 25 -1.009 15.550 -2.022 161 HB ILE 25 HB ILE 25 0.350 13.833 0.055 162 HG12 ILE 25 1HG1 ILE 25 -2.537 13.556 -0.692 163 HG13 ILE 25 2HG1 ILE 25 -1.315 12.736 -1.658 164 HG21 ILE 25 1HG2 ILE 25 -2.088 14.876 0.972 165 HG22 ILE 25 2HG2 ILE 25 -0.461 15.325 1.483 166 HG23 ILE 25 3HG2 ILE 25 -1.249 16.208 0.175 167 HD11 ILE 25 1HD1 ILE 25 -1.157 11.115 -0.166 168 HD12 ILE 25 2HD1 ILE 25 -0.847 12.269 1.131 169 HD13 ILE 25 3HD1 ILE 25 -2.504 11.848 0.703 170 HA PRO 26 HA PRO 26 2.906 17.870 -1.947 171 HB2 PRO 26 1HB PRO 26 1.735 20.258 -2.491 172 HB3 PRO 26 2HB PRO 26 2.148 19.083 -3.745 173 HG2 PRO 26 1HG PRO 26 -0.494 19.611 -2.442 174 HG3 PRO 26 2HG PRO 26 -0.128 19.327 -4.153 175 HD2 PRO 26 1HD PRO 26 -1.122 17.396 -2.537 176 HD3 PRO 26 2HD PRO 26 -0.017 17.041 -3.881 177 H GLU 27 H GLU 27 -0.174 19.045 -0.581 178 HA GLU 27 HA GLU 27 0.720 20.838 1.266 179 HB2 GLU 27 1HB GLU 27 -1.685 20.018 0.749 180 HB3 GLU 27 2HB GLU 27 -1.397 18.849 2.029 181 HG2 GLU 27 1HG GLU 27 -0.668 21.030 3.344 182 HG3 GLU 27 2HG GLU 27 -1.759 21.784 2.182 183 H ILE 28 H ILE 28 0.836 17.335 1.476 184 HA ILE 28 HA ILE 28 2.049 17.507 4.140 185 HB ILE 28 HB ILE 28 1.198 15.038 2.624 186 HG12 ILE 28 1HG1 ILE 28 -0.245 16.250 4.970 187 HG13 ILE 28 2HG1 ILE 28 -0.615 16.741 3.321 188 HG21 ILE 28 1HG2 ILE 28 2.898 15.279 4.785 189 HG22 ILE 28 2HG2 ILE 28 1.345 14.885 5.520 190 HG23 ILE 28 3HG2 ILE 28 2.035 13.821 4.295 191 HD11 ILE 28 1HD1 ILE 28 -0.677 13.981 3.224 192 HD12 ILE 28 2HD1 ILE 28 -1.420 14.380 4.774 193 HD13 ILE 28 3HD1 ILE 28 -2.065 15.068 3.284 194 H ASN 29 H ASN 29 4.128 16.945 4.542 195 HA ASN 29 HA ASN 29 5.880 16.666 2.247 196 HB2 ASN 29 1HB ASN 29 6.432 17.004 5.200 197 HB3 ASN 29 2HB ASN 29 7.695 16.847 3.982 198 HD21 ASN 29 1HD2 ASN 29 7.283 18.396 2.046 199 HD22 ASN 29 2HD2 ASN 29 6.946 20.032 2.490 200 H SER 30 H SER 30 6.884 14.851 1.620 201 HA SER 30 HA SER 30 6.039 12.334 2.412 202 HB2 SER 30 1HB SER 30 7.116 12.574 0.292 203 HB3 SER 30 2HB SER 30 8.583 13.210 1.036 204 HG SER 30 HG SER 30 7.581 10.599 1.506 205 H SER 31 H SER 31 8.336 14.424 3.881 206 HA SER 31 HA SER 31 9.719 12.364 5.345 207 HB2 SER 31 1HB SER 31 9.811 15.352 5.259 208 HB3 SER 31 2HB SER 31 10.492 14.525 6.660 209 HG SER 31 HG SER 31 11.689 14.933 4.408 210 H ASP 32 H ASP 32 7.115 14.651 5.950 211 HA ASP 32 HA ASP 32 6.919 14.014 8.746 212 HB2 ASP 32 1HB ASP 32 6.242 16.217 7.643 213 HB3 ASP 32 2HB ASP 32 4.804 15.371 7.080 214 H MET 33 H MET 33 5.799 12.617 5.845 215 HA MET 33 HA MET 33 3.400 11.435 6.785 216 HB2 MET 33 1HB MET 33 5.248 10.824 4.490 217 HB3 MET 33 2HB MET 33 3.842 9.824 4.829 218 HG2 MET 33 1HG MET 33 2.383 11.741 4.545 219 HG3 MET 33 2HG MET 33 3.779 12.778 4.264 220 HE1 MET 33 1HE MET 33 2.040 9.535 1.617 221 HE2 MET 33 2HE MET 33 3.562 9.023 2.348 222 HE3 MET 33 3HE MET 33 2.216 9.526 3.372 223 H SER 34 H SER 34 3.113 9.025 6.939 224 HA SER 34 HA SER 34 5.389 7.494 7.835 225 HB2 SER 34 1HB SER 34 3.166 8.061 9.808 226 HB3 SER 34 2HB SER 34 4.613 7.094 10.090 227 HG SER 34 HG SER 34 5.699 9.216 9.449 228 H ALA 35 H ALA 35 5.072 5.623 6.843 229 HA ALA 35 HA ALA 35 2.326 4.589 6.605 230 HB1 ALA 35 1HB ALA 35 4.726 4.392 4.851 231 HB2 ALA 35 2HB ALA 35 3.536 3.089 4.825 232 HB3 ALA 35 3HB ALA 35 3.048 4.738 4.433 233 H HIS 36 H HIS 36 1.888 2.426 7.085 234 HA HIS 36 HA HIS 36 3.996 0.765 8.197 235 HB2 HIS 36 1HB HIS 36 1.596 1.589 9.846 236 HB3 HIS 36 2HB HIS 36 2.798 0.390 10.316 237 HD1 HIS 36 1HD HIS 36 2.073 3.958 10.463 238 HD2 HIS 36 2HD HIS 36 5.447 1.548 10.727 239 HE1 HIS 36 1HE HIS 36 3.850 5.401 11.503 240 HE2 HIS 36 2HE HIS 36 5.906 3.948 11.574 241 H VAL 37 H VAL 37 3.720 -1.169 7.324 242 HA VAL 37 HA VAL 37 1.168 -1.949 6.215 243 HB VAL 37 HB VAL 37 3.836 -3.360 6.283 244 HG11 VAL 37 1HG1 VAL 37 2.923 -5.022 4.825 245 HG12 VAL 37 2HG1 VAL 37 1.890 -4.925 6.252 246 HG13 VAL 37 3HG1 VAL 37 1.380 -4.174 4.740 247 HG21 VAL 37 1HG2 VAL 37 3.651 -2.901 3.781 248 HG22 VAL 37 2HG2 VAL 37 2.360 -1.774 4.200 249 HG23 VAL 37 3HG2 VAL 37 3.989 -1.521 4.826 250 H THR 38 H THR 38 -0.260 -2.414 7.828 251 HA THR 38 HA THR 38 0.507 -4.125 10.038 252 HB THR 38 HB THR 38 -2.237 -3.052 9.356 253 HG1 THR 38 1HG THR 38 -1.149 -1.243 9.808 254 HG21 THR 38 1HG2 THR 38 -2.644 -4.707 10.908 255 HG22 THR 38 2HG2 THR 38 -2.349 -3.328 11.966 256 HG23 THR 38 3HG2 THR 38 -1.074 -4.513 11.686 257 H SER 39 H SER 39 -0.437 -6.147 10.507 258 HA SER 39 HA SER 39 -1.465 -7.551 8.130 259 HB2 SER 39 1HB SER 39 0.356 -8.393 10.351 260 HB3 SER 39 2HB SER 39 -0.651 -9.610 9.566 261 HG SER 39 HG SER 39 1.560 -9.103 8.678 262 HA PRO 40 HA PRO 40 -5.234 -8.508 10.160 263 HB2 PRO 40 1HB PRO 40 -5.737 -11.014 9.244 264 HB3 PRO 40 2HB PRO 40 -5.877 -9.575 8.229 265 HG2 PRO 40 1HG PRO 40 -3.635 -11.549 8.417 266 HG3 PRO 40 2HG PRO 40 -4.355 -10.808 6.976 267 HD2 PRO 40 1HD PRO 40 -2.026 -9.941 8.050 268 HD3 PRO 40 2HD PRO 40 -3.165 -8.851 7.232 269 H SER 41 H SER 41 -2.388 -10.178 10.876 270 HA SER 41 HA SER 41 -3.640 -11.866 12.910 271 HB2 SER 41 1HB SER 41 -1.506 -12.968 13.108 272 HB3 SER 41 2HB SER 41 -1.872 -12.802 11.391 273 HG SER 41 HG SER 41 -0.163 -11.124 12.917 274 H GLY 42 H GLY 42 -1.857 -8.932 12.554 275 HA2 GLY 42 1HA GLY 42 -2.100 -7.377 14.461 276 HA3 GLY 42 2HA GLY 42 -1.669 -8.730 15.497 277 H ARG 43 H ARG 43 -0.043 -8.283 12.464 278 HA ARG 43 HA ARG 43 2.339 -7.343 13.924 279 HB2 ARG 43 1HB ARG 43 2.484 -9.702 13.120 280 HB3 ARG 43 2HB ARG 43 2.295 -9.113 11.474 281 HG2 ARG 43 1HG ARG 43 4.361 -7.637 12.066 282 HG3 ARG 43 2HG ARG 43 4.611 -8.843 13.329 283 HD2 ARG 43 1HD ARG 43 4.472 -10.600 11.547 284 HD3 ARG 43 2HD ARG 43 4.467 -9.301 10.355 285 HE ARG 43 HE ARG 43 6.676 -8.745 11.760 286 HH11 ARG 43 1HH1 ARG 43 5.504 -11.716 10.374 287 HH12 ARG 43 2HH1 ARG 43 7.087 -12.365 10.101 288 HH21 ARG 43 1HH2 ARG 43 8.765 -9.588 11.405 289 HH22 ARG 43 2HH2 ARG 43 8.941 -11.154 10.688 290 H VAL 44 H VAL 44 2.929 -5.362 13.372 291 HA VAL 44 HA VAL 44 2.418 -4.454 10.613 292 HB VAL 44 HB VAL 44 0.950 -3.238 12.081 293 HG11 VAL 44 1HG1 VAL 44 1.587 -2.139 14.046 294 HG12 VAL 44 2HG1 VAL 44 2.435 -3.685 14.119 295 HG13 VAL 44 3HG1 VAL 44 3.302 -2.223 13.645 296 HG21 VAL 44 1HG2 VAL 44 2.606 -2.082 10.305 297 HG22 VAL 44 2HG2 VAL 44 1.359 -1.201 11.188 298 HG23 VAL 44 3HG2 VAL 44 3.029 -1.169 11.754 299 H THR 45 H THR 45 4.007 -3.262 9.591 300 HA THR 45 HA THR 45 6.553 -2.938 11.031 301 HB THR 45 HB THR 45 7.673 -3.498 8.793 302 HG1 THR 45 1HG THR 45 5.313 -4.984 8.312 303 HG21 THR 45 1HG2 THR 45 8.108 -5.569 9.595 304 HG22 THR 45 2HG2 THR 45 6.400 -5.984 9.742 305 HG23 THR 45 3HG2 THR 45 7.179 -5.001 10.982 306 H GLU 46 H GLU 46 8.097 -1.515 9.724 307 HA GLU 46 HA GLU 46 6.637 0.886 8.982 308 HB2 GLU 46 1HB GLU 46 8.516 1.087 10.534 309 HB3 GLU 46 2HB GLU 46 9.599 0.396 9.334 310 HG2 GLU 46 1HG GLU 46 9.065 2.332 7.852 311 HG3 GLU 46 2HG GLU 46 8.180 3.042 9.200 312 H ALA 47 H ALA 47 6.390 1.626 6.969 313 HA ALA 47 HA ALA 47 7.629 0.106 4.789 314 HB1 ALA 47 1HB ALA 47 5.874 1.569 3.468 315 HB2 ALA 47 2HB ALA 47 5.394 0.103 4.323 316 HB3 ALA 47 3HB ALA 47 5.123 1.682 5.060 317 H GLU 48 H GLU 48 8.287 1.334 2.840 318 HA GLU 48 HA GLU 48 9.678 3.797 3.635 319 HB2 GLU 48 1HB GLU 48 11.068 1.892 2.840 320 HB3 GLU 48 2HB GLU 48 10.247 1.979 1.288 321 HG2 GLU 48 1HG GLU 48 12.268 3.109 0.977 322 HG3 GLU 48 2HG GLU 48 11.056 4.377 1.156 323 H ILE 49 H ILE 49 9.603 5.640 2.354 324 HA ILE 49 HA ILE 49 7.397 5.692 0.402 325 HB ILE 49 HB ILE 49 8.499 7.984 2.031 326 HG12 ILE 49 1HG1 ILE 49 5.746 6.814 2.301 327 HG13 ILE 49 2HG1 ILE 49 7.103 6.100 3.166 328 HG21 ILE 49 1HG2 ILE 49 7.681 8.998 0.127 329 HG22 ILE 49 2HG2 ILE 49 6.418 7.789 -0.101 330 HG23 ILE 49 3HG2 ILE 49 6.260 8.999 1.172 331 HD11 ILE 49 1HD1 ILE 49 7.292 8.822 3.681 332 HD12 ILE 49 2HD1 ILE 49 5.569 8.456 3.774 333 HD13 ILE 49 3HD1 ILE 49 6.715 7.566 4.776 334 H VAL 50 H VAL 50 8.716 5.095 -1.360 335 HA VAL 50 HA VAL 50 11.120 6.391 -2.062 336 HB VAL 50 HB VAL 50 9.136 4.796 -3.668 337 HG11 VAL 50 1HG1 VAL 50 11.369 4.866 -5.227 338 HG12 VAL 50 2HG1 VAL 50 9.924 5.845 -5.489 339 HG13 VAL 50 3HG1 VAL 50 11.304 6.521 -4.622 340 HG21 VAL 50 1HG2 VAL 50 10.865 3.895 -1.889 341 HG22 VAL 50 2HG2 VAL 50 10.556 3.023 -3.391 342 HG23 VAL 50 3HG2 VAL 50 11.984 4.048 -3.244 343 HA PRO 51 HA PRO 51 9.411 10.277 -3.395 344 HB2 PRO 51 1HB PRO 51 11.749 11.326 -4.291 345 HB3 PRO 51 2HB PRO 51 11.337 11.224 -2.575 346 HG2 PRO 51 1HG PRO 51 13.076 9.423 -4.216 347 HG3 PRO 51 2HG PRO 51 13.345 10.053 -2.580 348 HD2 PRO 51 1HD PRO 51 12.443 7.543 -3.044 349 HD3 PRO 51 2HD PRO 51 11.970 8.478 -1.611 350 H MET 52 H MET 52 8.142 9.557 -5.139 351 HA MET 52 HA MET 52 9.131 8.620 -7.590 352 HB2 MET 52 1HB MET 52 6.559 10.127 -7.088 353 HB3 MET 52 2HB MET 52 6.913 9.115 -8.482 354 HG2 MET 52 1HG MET 52 7.288 7.262 -6.694 355 HG3 MET 52 2HG MET 52 6.330 8.327 -5.668 356 HE1 MET 52 1HE MET 52 6.712 6.540 -8.884 357 HE2 MET 52 2HE MET 52 5.723 5.254 -8.191 358 HE3 MET 52 3HE MET 52 5.091 6.240 -9.511 359 H GLY 53 H GLY 53 7.875 11.874 -6.809 360 HA2 GLY 53 1HA GLY 53 9.960 13.167 -8.280 361 HA3 GLY 53 2HA GLY 53 8.448 13.148 -9.177 362 H LYS 54 H LYS 54 7.180 14.850 -8.904 363 HA LYS 54 HA LYS 54 7.751 16.742 -6.790 364 HB2 LYS 54 1HB LYS 54 5.946 16.754 -9.194 365 HB3 LYS 54 2HB LYS 54 5.811 17.996 -7.956 366 HG2 LYS 54 1HG LYS 54 8.500 17.457 -9.084 367 HG3 LYS 54 2HG LYS 54 7.328 18.303 -10.097 368 HD2 LYS 54 1HD LYS 54 8.379 20.054 -9.013 369 HD3 LYS 54 2HD LYS 54 6.971 19.780 -7.984 370 HE2 LYS 54 1HE LYS 54 9.461 18.282 -7.366 371 HE3 LYS 54 2HE LYS 54 9.424 20.005 -6.995 372 HZ1 LYS 54 1HZ LYS 54 7.108 18.478 -6.141 373 HZ2 LYS 54 2HZ LYS 54 7.952 19.706 -5.340 374 HZ3 LYS 54 3HZ LYS 54 8.551 18.124 -5.333 375 H ASN 55 H ASN 55 6.774 16.747 -4.883 376 HA ASN 55 HA ASN 55 5.404 15.961 -3.198 377 HB2 ASN 55 1HB ASN 55 2.959 16.734 -3.735 378 HB3 ASN 55 2HB ASN 55 4.234 17.933 -3.545 379 HD21 ASN 55 1HD2 ASN 55 4.999 19.030 -5.343 380 HD22 ASN 55 2HD2 ASN 55 4.148 19.040 -6.847 381 H SER 56 H SER 56 6.032 13.743 -4.451 382 HA SER 56 HA SER 56 3.480 12.299 -4.690 383 HB2 SER 56 1HB SER 56 5.917 12.040 -6.456 384 HB3 SER 56 2HB SER 56 4.658 10.808 -6.380 385 HG SER 56 HG SER 56 4.662 13.204 -7.665 386 H HIS 57 H HIS 57 3.476 10.158 -3.937 387 HA HIS 57 HA HIS 57 5.868 9.322 -2.443 388 HB2 HIS 57 1HB HIS 57 3.145 8.758 -1.338 389 HB3 HIS 57 2HB HIS 57 4.687 8.884 -0.496 390 HD1 HIS 57 1HD HIS 57 5.632 11.396 -0.240 391 HD2 HIS 57 2HD HIS 57 1.632 11.026 -1.299 392 HE1 HIS 57 1HE HIS 57 4.599 13.638 0.239 393 HE2 HIS 57 2HE HIS 57 2.161 13.364 -0.329 394 H CYS 58 H CYS 58 6.306 7.148 -2.426 395 HA CYS 58 HA CYS 58 4.426 5.387 -3.843 396 HB2 CYS 58 1HB CYS 58 5.983 5.732 -5.537 397 HB3 CYS 58 2HB CYS 58 7.330 5.859 -4.412 398 HG CYS 58 HG CYS 58 6.677 2.929 -3.817 399 H VAL 59 H VAL 59 3.759 4.075 -2.255 400 HA VAL 59 HA VAL 59 5.562 3.195 -0.169 401 HB VAL 59 HB VAL 59 2.648 2.641 -0.711 402 HG11 VAL 59 1HG1 VAL 59 3.211 1.797 1.874 403 HG12 VAL 59 2HG1 VAL 59 2.846 0.772 0.485 404 HG13 VAL 59 3HG1 VAL 59 4.522 1.134 0.899 405 HG21 VAL 59 1HG2 VAL 59 4.186 4.412 1.126 406 HG22 VAL 59 2HG2 VAL 59 2.727 4.749 0.194 407 HG23 VAL 59 3HG2 VAL 59 2.631 3.775 1.661 408 H ARG 60 H ARG 60 6.983 1.652 -0.670 409 HA ARG 60 HA ARG 60 6.118 -0.565 -2.396 410 HB2 ARG 60 1HB ARG 60 8.031 0.233 -3.398 411 HB3 ARG 60 2HB ARG 60 8.747 0.738 -1.873 412 HG2 ARG 60 1HG ARG 60 9.378 -1.488 -1.336 413 HG3 ARG 60 2HG ARG 60 8.434 -2.141 -2.676 414 HD2 ARG 60 1HD ARG 60 9.945 -1.396 -4.270 415 HD3 ARG 60 2HD ARG 60 10.627 -0.176 -3.195 416 HE ARG 60 HE ARG 60 11.332 -2.433 -1.954 417 HH11 ARG 60 1HH1 ARG 60 11.546 -1.490 -5.299 418 HH12 ARG 60 2HH1 ARG 60 12.953 -2.450 -5.614 419 HH21 ARG 60 1HH2 ARG 60 13.186 -3.700 -2.357 420 HH22 ARG 60 2HH2 ARG 60 13.885 -3.707 -3.941 421 H PHE 61 H PHE 61 5.672 -2.443 -1.469 422 HA PHE 61 HA PHE 61 7.252 -3.453 0.720 423 HB2 PHE 61 1HB PHE 61 5.422 -3.728 2.292 424 HB3 PHE 61 2HB PHE 61 5.588 -2.024 1.879 425 HD1 PHE 61 1HD PHE 61 3.721 -5.054 0.761 426 HD2 PHE 61 2HD PHE 61 3.684 -0.843 1.385 427 HE1 PHE 61 1HE PHE 61 1.345 -4.983 0.125 428 HE2 PHE 61 2HE PHE 61 1.308 -0.766 0.750 429 HZ PHE 61 HZ PHE 61 0.135 -2.838 0.120 430 H VAL 62 H VAL 62 6.757 -5.687 1.229 431 HA VAL 62 HA VAL 62 5.512 -7.059 -1.056 432 HB VAL 62 HB VAL 62 7.502 -8.144 0.942 433 HG11 VAL 62 1HG1 VAL 62 6.245 -9.345 -1.517 434 HG12 VAL 62 2HG1 VAL 62 7.674 -10.011 -0.724 435 HG13 VAL 62 3HG1 VAL 62 6.139 -9.928 0.143 436 HG21 VAL 62 1HG2 VAL 62 9.197 -7.676 -0.498 437 HG22 VAL 62 2HG2 VAL 62 8.172 -7.814 -1.926 438 HG23 VAL 62 3HG2 VAL 62 8.114 -6.355 -0.938 439 HA PRO 63 HA PRO 63 2.348 -7.958 2.042 440 HB2 PRO 63 1HB PRO 63 0.509 -8.797 0.229 441 HB3 PRO 63 2HB PRO 63 0.810 -7.089 0.572 442 HG2 PRO 63 1HG PRO 63 1.820 -8.774 -1.686 443 HG3 PRO 63 2HG PRO 63 1.194 -7.115 -1.721 444 HD2 PRO 63 1HD PRO 63 3.843 -7.673 -1.764 445 HD3 PRO 63 2HD PRO 63 3.187 -6.213 -0.995 446 H GLN 64 H GLN 64 0.976 -9.948 2.406 447 HA GLN 64 HA GLN 64 2.559 -12.338 1.746 448 HB2 GLN 64 1HB GLN 64 0.878 -11.604 4.123 449 HB3 GLN 64 2HB GLN 64 1.236 -13.288 3.765 450 HG2 GLN 64 1HG GLN 64 3.189 -11.093 4.397 451 HG3 GLN 64 2HG GLN 64 2.821 -12.523 5.360 452 HE21 GLN 64 1HE2 GLN 64 4.386 -11.332 2.478 453 HE22 GLN 64 2HE2 GLN 64 5.386 -12.714 2.212 454 H GLU 65 H GLU 65 1.150 -14.410 1.870 455 HA GLU 65 HA GLU 65 -0.904 -14.112 -0.136 456 HB2 GLU 65 1HB GLU 65 -0.231 -16.688 1.256 457 HB3 GLU 65 2HB GLU 65 -0.821 -16.444 -0.382 458 HG2 GLU 65 1HG GLU 65 1.245 -15.923 -1.202 459 HG3 GLU 65 2HG GLU 65 1.829 -15.316 0.347 460 H MET 66 H MET 66 -3.069 -14.806 0.064 461 HA MET 66 HA MET 66 -5.079 -14.498 1.164 462 HB2 MET 66 1HB MET 66 -3.812 -16.774 2.699 463 HB3 MET 66 2HB MET 66 -5.529 -16.398 2.685 464 HG2 MET 66 1HG MET 66 -5.264 -18.159 1.170 465 HG3 MET 66 2HG MET 66 -5.438 -16.713 0.178 466 HE1 MET 66 1HE MET 66 -2.515 -16.098 -1.637 467 HE2 MET 66 2HE MET 66 -3.578 -17.349 -2.284 468 HE3 MET 66 3HE MET 66 -4.256 -16.000 -1.370 469 H GLY 67 H GLY 67 -3.653 -12.461 2.056 470 HA2 GLY 67 1HA GLY 67 -4.411 -12.326 4.880 471 HA3 GLY 67 2HA GLY 67 -2.737 -11.978 4.474 472 H VAL 68 H VAL 68 -5.611 -10.574 5.135 473 HA VAL 68 HA VAL 68 -5.472 -8.401 3.226 474 HB VAL 68 HB VAL 68 -7.238 -8.759 5.651 475 HG11 VAL 68 1HG1 VAL 68 -7.027 -6.613 3.589 476 HG12 VAL 68 2HG1 VAL 68 -8.609 -7.015 4.261 477 HG13 VAL 68 3HG1 VAL 68 -7.307 -6.483 5.325 478 HG21 VAL 68 1HG2 VAL 68 -8.978 -9.338 4.047 479 HG22 VAL 68 2HG2 VAL 68 -7.832 -9.158 2.719 480 HG23 VAL 68 3HG2 VAL 68 -7.610 -10.442 3.907 481 H HIS 69 H HIS 69 -3.853 -6.994 3.482 482 HA HIS 69 HA HIS 69 -3.020 -6.217 6.175 483 HB2 HIS 69 1HB HIS 69 -1.759 -5.427 3.546 484 HB3 HIS 69 2HB HIS 69 -1.053 -5.289 5.153 485 HD1 HIS 69 1HD HIS 69 -2.405 -8.121 2.987 486 HD2 HIS 69 2HD HIS 69 0.682 -7.291 5.641 487 HE1 HIS 69 1HE HIS 69 -1.008 -10.211 3.069 488 HE2 HIS 69 2HE HIS 69 0.805 -9.715 4.745 489 H THR 70 H THR 70 -2.768 -3.985 6.745 490 HA THR 70 HA THR 70 -4.565 -2.188 5.249 491 HB THR 70 HB THR 70 -4.108 -2.064 8.230 492 HG1 THR 70 1HG THR 70 -5.811 -3.365 8.497 493 HG21 THR 70 1HG2 THR 70 -5.146 -0.199 6.505 494 HG22 THR 70 2HG2 THR 70 -5.482 -0.288 8.234 495 HG23 THR 70 3HG2 THR 70 -6.590 -1.030 7.081 496 H VAL 71 H VAL 71 -3.656 -0.389 4.507 497 HA VAL 71 HA VAL 71 -0.945 0.280 5.319 498 HB VAL 71 HB VAL 71 -2.685 1.532 3.190 499 HG11 VAL 71 1HG1 VAL 71 -1.152 3.173 3.414 500 HG12 VAL 71 2HG1 VAL 71 0.017 2.119 4.212 501 HG13 VAL 71 3HG1 VAL 71 -0.154 2.080 2.456 502 HG21 VAL 71 1HG2 VAL 71 -0.882 -0.814 3.218 503 HG22 VAL 71 2HG2 VAL 71 -2.322 -0.502 2.249 504 HG23 VAL 71 3HG2 VAL 71 -0.787 0.249 1.814 505 H SER 72 H SER 72 -0.851 1.391 7.181 506 HA SER 72 HA SER 72 -2.819 3.456 7.763 507 HB2 SER 72 1HB SER 72 -2.022 1.812 9.506 508 HB3 SER 72 2HB SER 72 -0.456 2.621 9.456 509 HG SER 72 HG SER 72 -1.291 3.966 10.824 510 H VAL 73 H VAL 73 -2.518 5.497 7.198 511 HA VAL 73 HA VAL 73 0.240 6.512 6.973 512 HB VAL 73 HB VAL 73 -2.084 7.209 5.172 513 HG11 VAL 73 1HG1 VAL 73 -0.399 8.529 3.924 514 HG12 VAL 73 2HG1 VAL 73 -0.710 9.154 5.545 515 HG13 VAL 73 3HG1 VAL 73 0.754 8.225 5.222 516 HG21 VAL 73 1HG2 VAL 73 -0.598 4.981 5.001 517 HG22 VAL 73 2HG2 VAL 73 -1.242 5.824 3.592 518 HG23 VAL 73 3HG2 VAL 73 0.428 6.092 4.093 519 H LYS 74 H LYS 74 0.353 7.635 8.856 520 HA LYS 74 HA LYS 74 -1.780 9.565 9.449 521 HB2 LYS 74 1HB LYS 74 0.215 8.102 11.105 522 HB3 LYS 74 2HB LYS 74 -0.278 9.700 11.647 523 HG2 LYS 74 1HG LYS 74 -2.690 8.705 11.224 524 HG3 LYS 74 2HG LYS 74 -1.836 7.182 11.487 525 HD2 LYS 74 1HD LYS 74 -1.055 7.949 13.643 526 HD3 LYS 74 2HD LYS 74 -1.771 9.539 13.371 527 HE2 LYS 74 1HE LYS 74 -3.421 8.601 14.633 528 HE3 LYS 74 2HE LYS 74 -3.960 8.089 13.034 529 HZ1 LYS 74 1HZ LYS 74 -3.754 6.391 14.991 530 HZ2 LYS 74 2HZ LYS 74 -2.131 6.345 14.518 531 HZ3 LYS 74 3HZ LYS 74 -3.345 5.940 13.412 532 H TYR 75 H TYR 75 -1.299 11.736 9.886 533 HA TYR 75 HA TYR 75 1.417 12.646 9.259 534 HB2 TYR 75 1HB TYR 75 0.335 12.905 7.158 535 HB3 TYR 75 2HB TYR 75 -1.121 13.553 7.904 536 HD1 TYR 75 1HD TYR 75 2.531 14.380 7.985 537 HD2 TYR 75 2HD TYR 75 -1.452 15.788 7.482 538 HE1 TYR 75 1HE TYR 75 3.386 16.663 7.653 539 HE2 TYR 75 2HE TYR 75 -0.609 18.074 7.148 540 HH TYR 75 HH TYR 75 1.189 19.409 7.269 541 H ARG 76 H ARG 76 2.055 13.724 10.998 542 HA ARG 76 HA ARG 76 2.105 15.169 12.754 543 HB2 ARG 76 1HB ARG 76 0.114 16.395 10.914 544 HB3 ARG 76 2HB ARG 76 0.184 17.016 12.558 545 HG2 ARG 76 1HG ARG 76 2.627 17.392 12.237 546 HG3 ARG 76 2HG ARG 76 2.417 16.941 10.544 547 HD2 ARG 76 1HD ARG 76 1.162 18.828 10.063 548 HD3 ARG 76 2HD ARG 76 0.704 19.074 11.748 549 HE ARG 76 HE ARG 76 2.600 20.316 12.038 550 HH11 ARG 76 1HH1 ARG 76 2.918 18.430 9.129 551 HH12 ARG 76 2HH1 ARG 76 4.396 19.192 8.641 552 HH21 ARG 76 1HH2 ARG 76 4.545 21.327 11.406 553 HH22 ARG 76 2HH2 ARG 76 5.321 20.838 9.937 554 H GLY 77 H GLY 77 0.363 12.743 12.767 555 HA2 GLY 77 1HA GLY 77 -0.793 11.751 14.528 556 HA3 GLY 77 2HA GLY 77 -0.975 13.335 15.267 557 H GLN 78 H GLN 78 -1.909 12.358 11.999 558 HA GLN 78 HA GLN 78 -4.702 12.199 12.685 559 HB2 GLN 78 1HB GLN 78 -5.480 14.162 11.831 560 HB3 GLN 78 2HB GLN 78 -3.888 14.719 12.331 561 HG2 GLN 78 1HG GLN 78 -3.063 14.348 10.046 562 HG3 GLN 78 2HG GLN 78 -4.686 13.861 9.559 563 HE21 GLN 78 1HE2 GLN 78 -3.510 15.881 8.233 564 HE22 GLN 78 2HE2 GLN 78 -4.248 17.390 8.637 565 H HIS 79 H HIS 79 -5.766 10.922 11.287 566 HA HIS 79 HA HIS 79 -4.312 9.625 9.203 567 HB2 HIS 79 1HB HIS 79 -7.078 9.431 10.315 568 HB3 HIS 79 2HB HIS 79 -6.753 8.716 8.739 569 HD1 HIS 79 1HD HIS 79 -4.636 6.959 8.771 570 HD2 HIS 79 2HD HIS 79 -6.491 7.799 12.393 571 HE1 HIS 79 1HE HIS 79 -3.973 5.088 10.316 572 HE2 HIS 79 2HE HIS 79 -5.175 5.573 12.475 573 H VAL 80 H VAL 80 -4.229 10.060 7.089 574 HA VAL 80 HA VAL 80 -5.238 12.493 6.062 575 HB VAL 80 HB VAL 80 -4.410 11.741 3.890 576 HG11 VAL 80 1HG1 VAL 80 -2.221 11.981 4.435 577 HG12 VAL 80 2HG1 VAL 80 -2.914 12.374 6.010 578 HG13 VAL 80 3HG1 VAL 80 -2.286 10.755 5.700 579 HG21 VAL 80 1HG2 VAL 80 -3.577 9.556 3.489 580 HG22 VAL 80 2HG2 VAL 80 -3.726 9.111 5.190 581 HG23 VAL 80 3HG2 VAL 80 -5.173 9.358 4.212 582 H THR 81 H THR 81 -6.484 12.499 3.908 583 HA THR 81 HA THR 81 -9.089 11.524 4.402 584 HB THR 81 HB THR 81 -7.980 12.532 1.775 585 HG1 THR 81 1HG THR 81 -8.357 14.536 2.519 586 HG21 THR 81 1HG2 THR 81 -10.158 12.818 1.054 587 HG22 THR 81 2HG2 THR 81 -10.809 12.838 2.692 588 HG23 THR 81 3HG2 THR 81 -10.286 11.317 1.969 589 H GLY 82 H GLY 82 -9.591 9.426 4.342 590 HA2 GLY 82 1HA GLY 82 -10.219 7.612 2.841 591 HA3 GLY 82 2HA GLY 82 -8.705 7.878 1.989 592 H SER 83 H SER 83 -6.909 8.015 4.070 593 HA SER 83 HA SER 83 -6.474 5.282 4.621 594 HB2 SER 83 1HB SER 83 -4.484 5.951 5.661 595 HB3 SER 83 2HB SER 83 -4.772 7.238 4.491 596 HG SER 83 HG SER 83 -4.347 7.604 6.976 597 HA PRO 84 HA PRO 84 -5.182 4.191 6.262 598 HB2 PRO 84 1HB PRO 84 -5.982 1.767 7.188 599 HB3 PRO 84 2HB PRO 84 -5.156 2.958 8.201 600 HG2 PRO 84 1HG PRO 84 -8.079 2.341 8.003 601 HG3 PRO 84 2HG PRO 84 -7.094 2.640 9.447 602 HD2 PRO 84 1HD PRO 84 -8.690 4.535 8.354 603 HD3 PRO 84 2HD PRO 84 -7.166 4.928 9.177 604 H PHE 85 H PHE 85 -4.973 2.416 4.731 605 HA PHE 85 HA PHE 85 -7.407 2.050 3.112 606 HB2 PHE 85 1HB PHE 85 -4.548 2.037 2.127 607 HB3 PHE 85 2HB PHE 85 -6.003 1.949 1.139 608 HD1 PHE 85 2HD PHE 85 -7.533 3.936 1.055 609 HD2 PHE 85 1HD PHE 85 -3.650 4.098 2.791 610 HE1 PHE 85 2HE PHE 85 -7.558 6.390 0.872 611 HE2 PHE 85 1HE PHE 85 -3.669 6.552 2.613 612 HZ PHE 85 HZ PHE 85 -5.624 7.701 1.651 613 H GLN 86 H GLN 86 -8.179 0.067 3.411 614 HA GLN 86 HA GLN 86 -6.367 -2.139 3.995 615 HB2 GLN 86 1HB GLN 86 -8.687 -1.586 5.128 616 HB3 GLN 86 2HB GLN 86 -9.324 -2.489 3.760 617 HG2 GLN 86 1HG GLN 86 -7.697 -4.329 4.429 618 HG3 GLN 86 2HG GLN 86 -7.505 -3.444 5.941 619 HE21 GLN 86 1HE2 GLN 86 -8.792 -4.033 7.524 620 HE22 GLN 86 2HE2 GLN 86 -10.327 -4.809 7.357 621 H PHE 87 H PHE 87 -6.010 -3.864 2.680 622 HA PHE 87 HA PHE 87 -7.529 -4.149 0.215 623 HB2 PHE 87 1HB PHE 87 -5.609 -4.069 -1.237 624 HB3 PHE 87 2HB PHE 87 -5.650 -2.580 -0.299 625 HD1 PHE 87 2HD PHE 87 -4.092 -5.953 -0.369 626 HD2 PHE 87 1HD PHE 87 -3.779 -1.897 0.883 627 HE1 PHE 87 2HE PHE 87 -1.784 -6.365 0.377 628 HE2 PHE 87 1HE PHE 87 -1.470 -2.302 1.630 629 HZ PHE 87 HZ PHE 87 -0.470 -4.539 1.379 630 H THR 88 H THR 88 -7.675 -6.225 -0.465 631 HA THR 88 HA THR 88 -6.447 -8.250 1.240 632 HB THR 88 HB THR 88 -8.545 -8.584 -0.913 633 HG1 THR 88 1HG THR 88 -9.295 -7.343 0.867 634 HG21 THR 88 1HG2 THR 88 -6.978 -10.538 0.036 635 HG22 THR 88 2HG2 THR 88 -8.672 -10.793 -0.384 636 HG23 THR 88 3HG2 THR 88 -8.210 -10.529 1.297 637 H VAL 89 H VAL 89 -5.036 -9.789 0.546 638 HA VAL 89 HA VAL 89 -3.854 -9.359 -2.099 639 HB VAL 89 HB VAL 89 -2.759 -11.099 0.107 640 HG11 VAL 89 1HG1 VAL 89 -1.897 -11.428 -2.200 641 HG12 VAL 89 2HG1 VAL 89 -1.371 -9.744 -2.201 642 HG13 VAL 89 3HG1 VAL 89 -0.668 -10.888 -1.057 643 HG21 VAL 89 1HG2 VAL 89 -3.165 -8.448 0.431 644 HG22 VAL 89 2HG2 VAL 89 -1.835 -9.339 1.172 645 HG23 VAL 89 3HG2 VAL 89 -1.571 -8.440 -0.323 646 H GLY 90 H GLY 90 -3.789 -10.899 -3.665 647 HA2 GLY 90 1HA GLY 90 -5.207 -13.423 -3.071 648 HA3 GLY 90 2HA GLY 90 -5.317 -12.584 -4.612 649 HA PRO 91 HA PRO 91 -2.182 -15.912 -5.143 650 HB2 PRO 91 1HB PRO 91 -2.973 -16.553 -7.660 651 HB3 PRO 91 2HB PRO 91 -3.731 -17.230 -6.213 652 HG2 PRO 91 1HG PRO 91 -4.647 -14.970 -7.949 653 HG3 PRO 91 2HG PRO 91 -5.593 -16.294 -7.245 654 HD2 PRO 91 1HD PRO 91 -5.545 -13.808 -6.173 655 HD3 PRO 91 2HD PRO 91 -5.726 -15.271 -5.184 656 H LEU 92 H LEU 92 -0.214 -15.631 -6.041 657 HA LEU 92 HA LEU 92 0.668 -13.217 -7.011 658 HB2 LEU 92 1HB LEU 92 2.647 -14.401 -7.820 659 HB3 LEU 92 2HB LEU 92 2.173 -14.933 -6.208 660 HG LEU 92 HG LEU 92 1.362 -16.486 -8.641 661 HD11 LEU 92 1HD1 LEU 92 4.052 -16.177 -7.523 662 HD12 LEU 92 2HD1 LEU 92 3.535 -16.794 -9.092 663 HD13 LEU 92 3HD1 LEU 92 3.509 -17.848 -7.678 664 HD21 LEU 92 1HD2 LEU 92 0.267 -17.481 -6.938 665 HD22 LEU 92 2HD2 LEU 92 1.367 -16.846 -5.714 666 HD23 LEU 92 3HD2 LEU 92 1.828 -18.256 -6.669 667 H GLY 93 H GLY 93 -0.901 -15.798 -8.737 668 HA2 GLY 93 1HA GLY 93 -1.677 -14.256 -10.903 669 HA3 GLY 93 2HA GLY 93 -0.153 -15.001 -11.362 670 H GLU 94 H GLU 94 -1.672 -15.896 -13.045 671 HA GLU 94 HA GLU 94 -3.501 -17.950 -12.213 672 HB2 GLU 94 1HB GLU 94 -2.533 -16.902 -14.844 673 HB3 GLU 94 2HB GLU 94 -3.364 -18.451 -14.787 674 HG2 GLU 94 1HG GLU 94 -5.360 -17.504 -14.101 675 HG3 GLU 94 2HG GLU 94 -4.577 -16.040 -13.508 676 H GLY 95 H GLY 95 -2.951 -19.939 -11.634 677 HA2 GLY 95 1HA GLY 95 -1.536 -21.810 -12.955 678 HA3 GLY 95 2HA GLY 95 -0.268 -20.915 -12.131 679 H GLY 96 H GLY 96 -1.296 -23.717 -11.837 680 HA2 GLY 96 1HA GLY 96 -1.756 -23.582 -8.924 681 HA3 GLY 96 2HA GLY 96 -2.666 -24.691 -9.939 682 H SER 97 H SER 97 -1.969 -26.706 -9.811 683 HA SER 97 HA SER 97 -0.597 -28.521 -9.712 684 HB2 SER 97 1HB SER 97 0.630 -27.308 -11.545 685 HB3 SER 97 2HB SER 97 1.683 -26.625 -10.307 686 HG SER 97 HG SER 97 1.996 -28.903 -11.512 687 H GLY 98 H GLY 98 -1.118 -26.721 -7.402 688 HA2 GLY 98 1HA GLY 98 1.270 -26.825 -5.782 689 HA3 GLY 98 2HA GLY 98 -0.323 -26.293 -5.265 690 HA PRO 99 HA PRO 99 -0.773 -30.022 -3.000 691 HB2 PRO 99 1HB PRO 99 -3.477 -30.263 -2.986 692 HB3 PRO 99 2HB PRO 99 -2.615 -29.054 -2.027 693 HG2 PRO 99 1HG PRO 99 -4.006 -28.745 -4.660 694 HG3 PRO 99 2HG PRO 99 -4.030 -27.670 -3.250 695 HD2 PRO 99 1HD PRO 99 -2.483 -27.191 -5.420 696 HD3 PRO 99 2HD PRO 99 -1.995 -26.725 -3.778 697 H SER 100 H SER 100 -1.818 -29.741 -6.250 698 HA SER 100 HA SER 100 -3.062 -32.143 -6.782 699 HB2 SER 100 1HB SER 100 -1.206 -30.440 -8.430 700 HB3 SER 100 2HB SER 100 -1.890 -31.931 -9.077 701 HG SER 100 HG SER 100 -3.138 -29.519 -8.446 702 H SER 101 H SER 101 -2.383 -34.202 -7.361 703 HA SER 101 HA SER 101 0.424 -34.889 -7.309 704 HB2 SER 101 1HB SER 101 -0.355 -34.842 -4.884 705 HB3 SER 101 2HB SER 101 -1.383 -36.217 -5.285 706 HG SER 101 HG SER 101 0.305 -37.437 -5.111 707 H GLY 102 H GLY 102 0.536 -36.064 -9.109 708 HA2 GLY 102 1HA GLY 102 0.224 -38.315 -9.998 709 HA3 GLY 102 2HA GLY 102 -1.447 -38.223 -9.464 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -26.255 -2.972 11.563 2 HA2 GLY 1 1HA GLY 1 -27.438 -2.533 9.591 3 HA3 GLY 1 2HA GLY 1 -26.280 -1.269 9.204 4 H SER 2 H SER 2 -26.901 -4.718 9.123 5 HA SER 2 HA SER 2 -24.478 -5.476 7.870 6 HB2 SER 2 1HB SER 2 -25.983 -7.068 9.039 7 HB3 SER 2 2HB SER 2 -27.166 -6.865 7.747 8 HG SER 2 HG SER 2 -24.548 -7.590 7.071 9 H SER 3 H SER 3 -23.815 -4.895 5.921 10 HA SER 3 HA SER 3 -25.531 -3.730 3.978 11 HB2 SER 3 1HB SER 3 -22.941 -3.455 4.380 12 HB3 SER 3 2HB SER 3 -22.833 -4.804 3.248 13 HG SER 3 HG SER 3 -24.403 -3.330 1.997 14 H GLY 4 H GLY 4 -23.640 -6.760 3.905 15 HA2 GLY 4 1HA GLY 4 -25.201 -8.706 3.247 16 HA3 GLY 4 2HA GLY 4 -25.452 -7.739 1.801 17 H SER 5 H SER 5 -24.619 -10.109 1.207 18 HA SER 5 HA SER 5 -21.712 -10.234 1.181 19 HB2 SER 5 1HB SER 5 -23.930 -12.130 0.588 20 HB3 SER 5 2HB SER 5 -22.397 -12.390 -0.245 21 HG SER 5 HG SER 5 -22.358 -11.925 2.513 22 H SER 6 H SER 6 -20.501 -10.497 -0.777 23 HA SER 6 HA SER 6 -21.769 -9.177 -3.087 24 HB2 SER 6 1HB SER 6 -19.485 -8.379 -3.676 25 HB3 SER 6 2HB SER 6 -20.042 -7.768 -2.118 26 HG SER 6 HG SER 6 -18.646 -9.061 -1.089 27 H GLY 7 H GLY 7 -19.216 -11.498 -2.197 28 HA2 GLY 7 1HA GLY 7 -19.564 -13.730 -3.342 29 HA3 GLY 7 2HA GLY 7 -19.613 -12.787 -4.824 30 H ARG 8 H ARG 8 -17.794 -12.872 -5.942 31 HA ARG 8 HA ARG 8 -15.268 -13.271 -4.485 32 HB2 ARG 8 1HB ARG 8 -15.981 -13.946 -7.345 33 HB3 ARG 8 2HB ARG 8 -14.394 -14.175 -6.623 34 HG2 ARG 8 1HG ARG 8 -16.892 -15.485 -5.582 35 HG3 ARG 8 2HG ARG 8 -15.814 -16.228 -6.766 36 HD2 ARG 8 1HD ARG 8 -14.136 -16.545 -5.242 37 HD3 ARG 8 2HD ARG 8 -14.628 -15.170 -4.254 38 HE ARG 8 HE ARG 8 -16.005 -16.561 -3.059 39 HH11 ARG 8 1HH1 ARG 8 -14.998 -18.165 -5.980 40 HH12 ARG 8 2HH1 ARG 8 -15.658 -19.699 -5.520 41 HH21 ARG 8 1HH2 ARG 8 -16.878 -18.576 -2.442 42 HH22 ARG 8 2HH2 ARG 8 -16.728 -19.932 -3.508 43 H ALA 9 H ALA 9 -14.034 -11.529 -4.328 44 HA ALA 9 HA ALA 9 -14.415 -9.287 -6.136 45 HB1 ALA 9 1HB ALA 9 -14.094 -9.199 -3.558 46 HB2 ALA 9 2HB ALA 9 -12.379 -9.321 -3.951 47 HB3 ALA 9 3HB ALA 9 -13.333 -7.976 -4.576 48 HA PRO 10 HA PRO 10 -10.957 -10.043 -8.734 49 HB2 PRO 10 1HB PRO 10 -10.165 -7.507 -9.292 50 HB3 PRO 10 2HB PRO 10 -11.637 -8.223 -9.960 51 HG2 PRO 10 1HG PRO 10 -11.321 -6.371 -7.630 52 HG3 PRO 10 2HG PRO 10 -12.535 -6.345 -8.923 53 HD2 PRO 10 1HD PRO 10 -13.049 -7.350 -6.461 54 HD3 PRO 10 2HD PRO 10 -13.807 -7.993 -7.933 55 H SER 11 H SER 11 -8.622 -8.845 -9.081 56 HA SER 11 HA SER 11 -7.318 -9.061 -6.454 57 HB2 SER 11 1HB SER 11 -5.277 -9.660 -7.704 58 HB3 SER 11 2HB SER 11 -6.609 -10.754 -8.080 59 HG SER 11 HG SER 11 -5.268 -9.770 -9.875 60 H VAL 12 H VAL 12 -6.773 -7.182 -5.585 61 HA VAL 12 HA VAL 12 -6.367 -4.839 -7.256 62 HB VAL 12 HB VAL 12 -6.206 -3.602 -5.129 63 HG11 VAL 12 1HG1 VAL 12 -8.611 -4.981 -4.442 64 HG12 VAL 12 2HG1 VAL 12 -8.416 -3.424 -5.248 65 HG13 VAL 12 3HG1 VAL 12 -8.464 -4.910 -6.197 66 HG21 VAL 12 1HG2 VAL 12 -7.081 -5.266 -3.166 67 HG22 VAL 12 2HG2 VAL 12 -5.992 -6.327 -4.060 68 HG23 VAL 12 3HG2 VAL 12 -5.397 -4.800 -3.408 69 H ALA 13 H ALA 13 -4.521 -6.967 -5.152 70 HA ALA 13 HA ALA 13 -2.059 -5.733 -6.174 71 HB1 ALA 13 1HB ALA 13 -1.104 -6.262 -3.824 72 HB2 ALA 13 2HB ALA 13 -2.067 -4.802 -4.055 73 HB3 ALA 13 3HB ALA 13 -2.793 -6.229 -3.318 74 H THR 14 H THR 14 -0.136 -7.248 -5.277 75 HA THR 14 HA THR 14 -0.885 -9.986 -6.067 76 HB THR 14 HB THR 14 1.758 -10.027 -6.470 77 HG1 THR 14 1HG THR 14 1.103 -7.373 -7.229 78 HG21 THR 14 1HG2 THR 14 1.213 -9.255 -8.866 79 HG22 THR 14 2HG2 THR 14 -0.442 -9.082 -8.282 80 HG23 THR 14 3HG2 THR 14 0.353 -10.656 -8.230 81 H VAL 15 H VAL 15 0.627 -11.690 -5.193 82 HA VAL 15 HA VAL 15 1.077 -11.168 -2.338 83 HB VAL 15 HB VAL 15 -0.438 -12.994 -2.710 84 HG11 VAL 15 1HG1 VAL 15 1.320 -13.567 -4.910 85 HG12 VAL 15 2HG1 VAL 15 1.089 -15.007 -3.916 86 HG13 VAL 15 3HG1 VAL 15 -0.307 -14.168 -4.593 87 HG21 VAL 15 1HG2 VAL 15 1.194 -13.220 -0.880 88 HG22 VAL 15 2HG2 VAL 15 0.700 -14.782 -1.532 89 HG23 VAL 15 3HG2 VAL 15 2.268 -14.102 -1.966 90 H GLY 16 H GLY 16 3.104 -10.785 -1.750 91 HA2 GLY 16 1HA GLY 16 5.355 -11.361 -1.427 92 HA3 GLY 16 2HA GLY 16 5.242 -12.473 -2.783 93 H SER 17 H SER 17 4.126 -10.565 -4.629 94 HA SER 17 HA SER 17 6.539 -9.447 -5.614 95 HB2 SER 17 1HB SER 17 3.690 -8.881 -6.470 96 HB3 SER 17 2HB SER 17 5.143 -8.496 -7.393 97 HG SER 17 HG SER 17 4.628 -10.406 -8.212 98 H ILE 18 H ILE 18 7.032 -7.222 -5.979 99 HA ILE 18 HA ILE 18 6.690 -5.583 -3.725 100 HB ILE 18 HB ILE 18 7.533 -4.772 -6.510 101 HG12 ILE 18 1HG1 ILE 18 8.941 -6.546 -5.548 102 HG13 ILE 18 2HG1 ILE 18 9.819 -5.025 -5.668 103 HG21 ILE 18 1HG2 ILE 18 6.839 -2.869 -5.141 104 HG22 ILE 18 2HG2 ILE 18 7.950 -3.378 -3.870 105 HG23 ILE 18 3HG2 ILE 18 8.579 -2.852 -5.431 106 HD11 ILE 18 1HD1 ILE 18 10.262 -6.202 -3.571 107 HD12 ILE 18 2HD1 ILE 18 9.507 -4.631 -3.302 108 HD13 ILE 18 3HD1 ILE 18 8.549 -6.105 -3.164 109 H CYS 19 H CYS 19 4.882 -4.617 -3.099 110 HA CYS 19 HA CYS 19 2.911 -3.805 -5.105 111 HB2 CYS 19 1HB CYS 19 2.331 -5.219 -3.036 112 HB3 CYS 19 2HB CYS 19 2.521 -3.730 -2.120 113 HG CYS 19 HG CYS 19 0.149 -4.482 -4.446 114 H ASP 20 H ASP 20 2.861 -1.770 -5.760 115 HA ASP 20 HA ASP 20 4.070 0.299 -4.063 116 HB2 ASP 20 1HB ASP 20 3.272 0.840 -6.887 117 HB3 ASP 20 2HB ASP 20 4.638 1.465 -5.968 118 H LEU 21 H LEU 21 2.985 2.194 -3.560 119 HA LEU 21 HA LEU 21 0.070 2.090 -3.958 120 HB2 LEU 21 1HB LEU 21 1.221 2.027 -1.610 121 HB3 LEU 21 2HB LEU 21 1.373 3.765 -1.858 122 HG LEU 21 HG LEU 21 -1.129 3.820 -2.182 123 HD11 LEU 21 1HD1 LEU 21 -2.328 1.886 -1.097 124 HD12 LEU 21 2HD1 LEU 21 -0.821 0.981 -1.239 125 HD13 LEU 21 3HD1 LEU 21 -1.637 1.567 -2.688 126 HD21 LEU 21 1HD2 LEU 21 -1.315 3.068 0.450 127 HD22 LEU 21 2HD2 LEU 21 -0.813 4.655 -0.134 128 HD23 LEU 21 3HD2 LEU 21 0.400 3.439 0.272 129 H ASN 22 H ASN 22 -1.052 3.959 -4.531 130 HA ASN 22 HA ASN 22 0.618 6.024 -5.785 131 HB2 ASN 22 1HB ASN 22 -2.209 5.105 -6.304 132 HB3 ASN 22 2HB ASN 22 -1.561 6.591 -6.992 133 HD21 ASN 22 1HD2 ASN 22 -0.932 3.123 -6.734 134 HD22 ASN 22 2HD2 ASN 22 -0.206 2.961 -8.294 135 H LEU 23 H LEU 23 0.921 7.730 -4.510 136 HA LEU 23 HA LEU 23 -1.422 8.890 -3.167 137 HB2 LEU 23 1HB LEU 23 1.220 8.162 -2.020 138 HB3 LEU 23 2HB LEU 23 0.451 9.641 -1.448 139 HG LEU 23 HG LEU 23 -0.872 6.934 -1.367 140 HD11 LEU 23 1HD1 LEU 23 -0.268 7.710 1.224 141 HD12 LEU 23 2HD1 LEU 23 1.204 8.043 0.313 142 HD13 LEU 23 3HD1 LEU 23 0.507 6.424 0.299 143 HD21 LEU 23 1HD2 LEU 23 -2.011 9.383 -1.207 144 HD22 LEU 23 2HD2 LEU 23 -1.622 9.089 0.488 145 HD23 LEU 23 3HD2 LEU 23 -2.632 7.945 -0.396 146 H LYS 24 H LYS 24 -1.718 10.983 -3.581 147 HA LYS 24 HA LYS 24 0.570 12.578 -4.516 148 HB2 LYS 24 1HB LYS 24 -0.997 13.701 -6.124 149 HB3 LYS 24 2HB LYS 24 -0.628 12.025 -6.510 150 HG2 LYS 24 1HG LYS 24 -2.787 11.413 -5.355 151 HG3 LYS 24 2HG LYS 24 -3.157 13.139 -5.331 152 HD2 LYS 24 1HD LYS 24 -3.353 13.260 -7.634 153 HD3 LYS 24 2HD LYS 24 -2.367 11.819 -7.896 154 HE2 LYS 24 1HE LYS 24 -4.129 10.386 -7.206 155 HE3 LYS 24 2HE LYS 24 -5.075 11.737 -6.584 156 HZ1 LYS 24 1HZ LYS 24 -5.847 12.243 -8.615 157 HZ2 LYS 24 2HZ LYS 24 -5.450 10.641 -8.984 158 HZ3 LYS 24 3HZ LYS 24 -4.387 11.892 -9.395 159 H ILE 25 H ILE 25 0.757 13.615 -2.536 160 HA ILE 25 HA ILE 25 -1.396 15.529 -1.955 161 HB ILE 25 HB ILE 25 0.188 14.212 0.239 162 HG12 ILE 25 1HG1 ILE 25 -2.609 13.457 -0.623 163 HG13 ILE 25 2HG1 ILE 25 -1.174 12.543 -1.075 164 HG21 ILE 25 1HG2 ILE 25 -1.616 16.393 0.111 165 HG22 ILE 25 2HG2 ILE 25 -2.402 15.093 1.005 166 HG23 ILE 25 3HG2 ILE 25 -0.831 15.699 1.530 167 HD11 ILE 25 1HD1 ILE 25 -2.604 11.817 0.966 168 HD12 ILE 25 2HD1 ILE 25 -0.844 11.757 1.056 169 HD13 ILE 25 3HD1 ILE 25 -1.719 13.093 1.801 170 HA PRO 26 HA PRO 26 2.445 17.921 -2.469 171 HB2 PRO 26 1HB PRO 26 1.166 20.196 -3.218 172 HB3 PRO 26 2HB PRO 26 1.525 18.881 -4.343 173 HG2 PRO 26 1HG PRO 26 -1.033 19.513 -2.924 174 HG3 PRO 26 2HG PRO 26 -0.780 19.024 -4.609 175 HD2 PRO 26 1HD PRO 26 -1.598 17.291 -2.696 176 HD3 PRO 26 2HD PRO 26 -0.581 16.793 -4.064 177 H GLU 27 H GLU 27 -0.290 18.218 -0.434 178 HA GLU 27 HA GLU 27 0.670 20.557 0.976 179 HB2 GLU 27 1HB GLU 27 -1.668 20.452 0.922 180 HB3 GLU 27 2HB GLU 27 -1.693 18.731 1.280 181 HG2 GLU 27 1HG GLU 27 -1.333 19.059 3.538 182 HG3 GLU 27 2HG GLU 27 -0.646 20.664 3.299 183 H ILE 28 H ILE 28 1.437 17.320 0.970 184 HA ILE 28 HA ILE 28 2.497 17.495 3.714 185 HB ILE 28 HB ILE 28 1.409 15.030 2.349 186 HG12 ILE 28 1HG1 ILE 28 0.476 16.404 4.875 187 HG13 ILE 28 2HG1 ILE 28 -0.259 16.656 3.295 188 HG21 ILE 28 1HG2 ILE 28 3.231 14.258 3.586 189 HG22 ILE 28 2HG2 ILE 28 2.946 15.403 4.895 190 HG23 ILE 28 3HG2 ILE 28 1.858 14.034 4.670 191 HD11 ILE 28 1HD1 ILE 28 -0.740 14.592 5.203 192 HD12 ILE 28 2HD1 ILE 28 -1.579 14.932 3.689 193 HD13 ILE 28 3HD1 ILE 28 -0.165 13.879 3.696 194 H ASN 29 H ASN 29 4.514 16.509 4.090 195 HA ASN 29 HA ASN 29 6.200 16.393 1.722 196 HB2 ASN 29 1HB ASN 29 6.680 17.568 4.050 197 HB3 ASN 29 2HB ASN 29 7.282 15.967 4.472 198 HD21 ASN 29 1HD2 ASN 29 9.305 17.178 4.703 199 HD22 ASN 29 2HD2 ASN 29 10.291 17.407 3.303 200 H SER 30 H SER 30 8.076 14.695 1.963 201 HA SER 30 HA SER 30 6.760 12.098 2.046 202 HB2 SER 30 1HB SER 30 8.373 13.014 0.183 203 HB3 SER 30 2HB SER 30 9.635 12.461 1.284 204 HG SER 30 HG SER 30 8.315 11.010 -0.431 205 H SER 31 H SER 31 8.579 14.024 4.094 206 HA SER 31 HA SER 31 9.763 11.748 5.512 207 HB2 SER 31 1HB SER 31 11.084 13.881 4.941 208 HB3 SER 31 2HB SER 31 10.148 14.653 6.222 209 HG SER 31 HG SER 31 11.810 13.897 7.336 210 H ASP 32 H ASP 32 7.506 14.422 5.936 211 HA ASP 32 HA ASP 32 6.968 13.914 8.683 212 HB2 ASP 32 1HB ASP 32 4.815 15.278 8.052 213 HB3 ASP 32 2HB ASP 32 6.387 16.071 8.082 214 H MET 33 H MET 33 6.230 12.169 5.950 215 HA MET 33 HA MET 33 3.622 11.240 6.788 216 HB2 MET 33 1HB MET 33 5.425 10.745 4.469 217 HB3 MET 33 2HB MET 33 4.231 9.515 4.858 218 HG2 MET 33 1HG MET 33 2.540 11.448 4.841 219 HG3 MET 33 2HG MET 33 3.801 12.347 4.000 220 HE1 MET 33 1HE MET 33 4.548 9.772 1.125 221 HE2 MET 33 2HE MET 33 4.478 11.534 1.120 222 HE3 MET 33 3HE MET 33 5.288 10.687 2.439 223 H SER 34 H SER 34 3.272 8.809 6.898 224 HA SER 34 HA SER 34 5.473 7.223 7.863 225 HB2 SER 34 1HB SER 34 3.253 7.967 9.783 226 HB3 SER 34 2HB SER 34 4.561 6.828 10.103 227 HG SER 34 HG SER 34 4.672 9.249 10.737 228 H ALA 35 H ALA 35 5.092 5.420 6.760 229 HA ALA 35 HA ALA 35 2.326 4.431 6.574 230 HB1 ALA 35 1HB ALA 35 3.233 4.819 4.405 231 HB2 ALA 35 2HB ALA 35 4.712 3.945 4.803 232 HB3 ALA 35 3HB ALA 35 3.186 3.074 4.655 233 H HIS 36 H HIS 36 1.801 2.410 7.268 234 HA HIS 36 HA HIS 36 3.920 0.610 8.162 235 HB2 HIS 36 1HB HIS 36 1.659 1.521 9.955 236 HB3 HIS 36 2HB HIS 36 2.828 0.262 10.345 237 HD1 HIS 36 1HD HIS 36 2.285 3.860 10.555 238 HD2 HIS 36 2HD HIS 36 5.547 1.288 10.617 239 HE1 HIS 36 1HE HIS 36 4.185 5.207 11.502 240 HE2 HIS 36 2HE HIS 36 6.169 3.656 11.450 241 H VAL 37 H VAL 37 3.514 -1.298 7.281 242 HA VAL 37 HA VAL 37 0.860 -1.967 6.346 243 HB VAL 37 HB VAL 37 3.441 -3.533 6.204 244 HG11 VAL 37 1HG1 VAL 37 2.103 -5.266 5.753 245 HG12 VAL 37 2HG1 VAL 37 0.683 -4.235 5.566 246 HG13 VAL 37 3HG1 VAL 37 1.794 -4.462 4.215 247 HG21 VAL 37 1HG2 VAL 37 3.961 -2.354 4.391 248 HG22 VAL 37 2HG2 VAL 37 2.358 -2.598 3.698 249 HG23 VAL 37 3HG2 VAL 37 2.645 -1.256 4.805 250 H THR 38 H THR 38 -0.436 -2.395 8.087 251 HA THR 38 HA THR 38 0.434 -4.167 10.198 252 HB THR 38 HB THR 38 -2.361 -3.119 9.742 253 HG1 THR 38 1HG THR 38 -0.780 -1.409 9.868 254 HG21 THR 38 1HG2 THR 38 -1.253 -3.531 12.447 255 HG22 THR 38 2HG2 THR 38 -1.540 -4.992 11.502 256 HG23 THR 38 3HG2 THR 38 -2.864 -3.871 11.817 257 H SER 39 H SER 39 -0.164 -6.259 10.522 258 HA SER 39 HA SER 39 -1.499 -7.583 8.270 259 HB2 SER 39 1HB SER 39 0.247 -8.698 10.477 260 HB3 SER 39 2HB SER 39 -0.519 -9.673 9.224 261 HG SER 39 HG SER 39 1.071 -7.486 8.479 262 HA PRO 40 HA PRO 40 -5.113 -8.507 10.585 263 HB2 PRO 40 1HB PRO 40 -5.824 -10.884 9.482 264 HB3 PRO 40 2HB PRO 40 -5.993 -9.343 8.633 265 HG2 PRO 40 1HG PRO 40 -3.841 -11.410 8.395 266 HG3 PRO 40 2HG PRO 40 -4.662 -10.497 7.115 267 HD2 PRO 40 1HD PRO 40 -2.200 -9.836 8.027 268 HD3 PRO 40 2HD PRO 40 -3.359 -8.624 7.442 269 H SER 41 H SER 41 -2.287 -10.313 10.867 270 HA SER 41 HA SER 41 -3.415 -12.175 12.822 271 HB2 SER 41 1HB SER 41 -1.352 -13.379 12.683 272 HB3 SER 41 2HB SER 41 -1.804 -12.957 11.032 273 HG SER 41 HG SER 41 0.245 -11.917 12.644 274 H GLY 42 H GLY 42 -1.892 -9.161 12.679 275 HA2 GLY 42 1HA GLY 42 -1.813 -7.861 14.728 276 HA3 GLY 42 2HA GLY 42 -1.302 -9.319 15.566 277 H ARG 43 H ARG 43 0.079 -8.704 12.473 278 HA ARG 43 HA ARG 43 2.565 -7.812 13.780 279 HB2 ARG 43 1HB ARG 43 2.722 -10.111 12.915 280 HB3 ARG 43 2HB ARG 43 2.272 -9.537 11.315 281 HG2 ARG 43 1HG ARG 43 4.341 -8.011 11.531 282 HG3 ARG 43 2HG ARG 43 4.818 -9.116 12.822 283 HD2 ARG 43 1HD ARG 43 3.974 -10.225 10.184 284 HD3 ARG 43 2HD ARG 43 5.585 -9.530 10.349 285 HE ARG 43 HE ARG 43 4.712 -12.045 11.335 286 HH11 ARG 43 1HH1 ARG 43 6.799 -9.357 12.067 287 HH12 ARG 43 2HH1 ARG 43 7.898 -10.300 13.018 288 HH21 ARG 43 1HH2 ARG 43 6.151 -13.298 12.584 289 HH22 ARG 43 2HH2 ARG 43 7.528 -12.542 13.311 290 H VAL 44 H VAL 44 3.034 -5.779 13.299 291 HA VAL 44 HA VAL 44 2.400 -4.790 10.594 292 HB VAL 44 HB VAL 44 0.926 -3.706 12.178 293 HG11 VAL 44 1HG1 VAL 44 2.354 -4.080 14.176 294 HG12 VAL 44 2HG1 VAL 44 3.391 -2.759 13.634 295 HG13 VAL 44 3HG1 VAL 44 1.710 -2.442 14.066 296 HG21 VAL 44 1HG2 VAL 44 1.727 -1.314 11.880 297 HG22 VAL 44 2HG2 VAL 44 3.161 -1.997 11.113 298 HG23 VAL 44 3HG2 VAL 44 1.567 -2.279 10.413 299 H THR 45 H THR 45 3.906 -3.476 9.587 300 HA THR 45 HA THR 45 6.467 -3.080 10.977 301 HB THR 45 HB THR 45 7.414 -3.495 8.519 302 HG1 THR 45 1HG THR 45 5.240 -5.330 8.672 303 HG21 THR 45 1HG2 THR 45 7.630 -5.986 9.251 304 HG22 THR 45 2HG2 THR 45 6.847 -5.432 10.731 305 HG23 THR 45 3HG2 THR 45 8.383 -4.727 10.229 306 H GLU 46 H GLU 46 7.940 -1.678 9.418 307 HA GLU 46 HA GLU 46 6.347 0.695 8.795 308 HB2 GLU 46 1HB GLU 46 8.393 0.728 10.340 309 HB3 GLU 46 2HB GLU 46 9.353 0.545 8.878 310 HG2 GLU 46 1HG GLU 46 8.140 2.609 8.017 311 HG3 GLU 46 2HG GLU 46 7.594 2.836 9.677 312 H ALA 47 H ALA 47 6.022 1.385 6.779 313 HA ALA 47 HA ALA 47 7.184 -0.129 4.583 314 HB1 ALA 47 1HB ALA 47 5.576 1.647 3.358 315 HB2 ALA 47 2HB ALA 47 5.015 0.109 4.015 316 HB3 ALA 47 3HB ALA 47 4.820 1.591 4.950 317 H GLU 48 H GLU 48 7.939 1.053 2.633 318 HA GLU 48 HA GLU 48 9.617 3.324 3.444 319 HB2 GLU 48 1HB GLU 48 10.866 1.415 2.617 320 HB3 GLU 48 2HB GLU 48 9.900 1.379 1.148 321 HG2 GLU 48 1HG GLU 48 10.891 3.306 0.300 322 HG3 GLU 48 2HG GLU 48 11.509 3.794 1.878 323 H ILE 49 H ILE 49 9.592 5.240 2.350 324 HA ILE 49 HA ILE 49 7.433 5.564 0.377 325 HB ILE 49 HB ILE 49 8.728 7.681 2.098 326 HG12 ILE 49 1HG1 ILE 49 5.925 6.591 2.337 327 HG13 ILE 49 2HG1 ILE 49 7.272 5.934 3.260 328 HG21 ILE 49 1HG2 ILE 49 6.192 7.947 0.515 329 HG22 ILE 49 2HG2 ILE 49 7.188 9.216 1.226 330 HG23 ILE 49 3HG2 ILE 49 7.769 8.324 -0.180 331 HD11 ILE 49 1HD1 ILE 49 7.638 8.324 4.076 332 HD12 ILE 49 2HD1 ILE 49 6.026 8.648 3.438 333 HD13 ILE 49 3HD1 ILE 49 6.247 7.441 4.704 334 H VAL 50 H VAL 50 8.634 4.996 -1.451 335 HA VAL 50 HA VAL 50 11.134 6.259 -2.067 336 HB VAL 50 HB VAL 50 9.264 4.605 -3.765 337 HG11 VAL 50 1HG1 VAL 50 12.022 5.645 -4.408 338 HG12 VAL 50 2HG1 VAL 50 11.135 4.455 -5.364 339 HG13 VAL 50 3HG1 VAL 50 10.515 6.099 -5.203 340 HG21 VAL 50 1HG2 VAL 50 10.307 2.807 -2.961 341 HG22 VAL 50 2HG2 VAL 50 11.897 3.531 -3.202 342 HG23 VAL 50 3HG2 VAL 50 10.990 3.866 -1.727 343 HA PRO 51 HA PRO 51 9.430 10.007 -3.707 344 HB2 PRO 51 1HB PRO 51 11.718 10.939 -4.834 345 HB3 PRO 51 2HB PRO 51 11.417 10.985 -3.093 346 HG2 PRO 51 1HG PRO 51 13.025 9.026 -4.686 347 HG3 PRO 51 2HG PRO 51 13.407 9.783 -3.128 348 HD2 PRO 51 1HD PRO 51 12.447 7.259 -3.324 349 HD3 PRO 51 2HD PRO 51 12.079 8.316 -1.947 350 H MET 52 H MET 52 8.108 9.845 -5.415 351 HA MET 52 HA MET 52 9.056 8.615 -7.885 352 HB2 MET 52 1HB MET 52 6.374 9.318 -6.768 353 HB3 MET 52 2HB MET 52 6.551 9.155 -8.510 354 HG2 MET 52 1HG MET 52 7.557 6.995 -6.719 355 HG3 MET 52 2HG MET 52 5.832 7.121 -7.059 356 HE1 MET 52 1HE MET 52 8.817 4.893 -9.208 357 HE2 MET 52 2HE MET 52 9.431 6.544 -9.290 358 HE3 MET 52 3HE MET 52 8.981 5.846 -7.733 359 H GLY 53 H GLY 53 8.498 11.715 -6.525 360 HA2 GLY 53 1HA GLY 53 9.659 13.096 -8.671 361 HA3 GLY 53 2HA GLY 53 7.913 13.208 -8.837 362 H LYS 54 H LYS 54 7.235 15.118 -8.151 363 HA LYS 54 HA LYS 54 8.672 16.530 -6.058 364 HB2 LYS 54 1HB LYS 54 7.788 17.607 -8.195 365 HB3 LYS 54 2HB LYS 54 6.185 17.458 -7.487 366 HG2 LYS 54 1HG LYS 54 6.850 19.639 -6.998 367 HG3 LYS 54 2HG LYS 54 7.124 18.747 -5.500 368 HD2 LYS 54 1HD LYS 54 9.058 20.043 -5.775 369 HD3 LYS 54 2HD LYS 54 9.522 18.435 -6.337 370 HE2 LYS 54 1HE LYS 54 9.004 19.195 -8.664 371 HE3 LYS 54 2HE LYS 54 8.777 20.821 -8.022 372 HZ1 LYS 54 1HZ LYS 54 11.145 20.363 -7.040 373 HZ2 LYS 54 2HZ LYS 54 10.956 20.913 -8.628 374 HZ3 LYS 54 3HZ LYS 54 11.244 19.273 -8.330 375 H ASN 55 H ASN 55 5.179 16.096 -6.618 376 HA ASN 55 HA ASN 55 4.848 15.793 -3.711 377 HB2 ASN 55 1HB ASN 55 2.341 16.253 -4.501 378 HB3 ASN 55 2HB ASN 55 3.476 17.564 -4.188 379 HD21 ASN 55 1HD2 ASN 55 3.154 19.094 -5.625 380 HD22 ASN 55 2HD2 ASN 55 2.946 18.867 -7.325 381 H SER 56 H SER 56 5.561 13.686 -5.702 382 HA SER 56 HA SER 56 3.202 11.947 -5.451 383 HB2 SER 56 1HB SER 56 5.597 11.784 -7.291 384 HB3 SER 56 2HB SER 56 4.362 10.531 -7.173 385 HG SER 56 HG SER 56 4.031 12.101 -8.881 386 H HIS 57 H HIS 57 3.235 10.326 -4.044 387 HA HIS 57 HA HIS 57 5.838 9.481 -2.951 388 HB2 HIS 57 1HB HIS 57 3.287 9.114 -1.429 389 HB3 HIS 57 2HB HIS 57 4.931 9.292 -0.823 390 HD1 HIS 57 1HD HIS 57 5.903 11.887 -1.572 391 HD2 HIS 57 2HD HIS 57 1.849 11.316 -0.863 392 HE1 HIS 57 1HE HIS 57 4.979 14.172 -1.072 393 HE2 HIS 57 2HE HIS 57 2.543 13.790 -0.562 394 H CYS 58 H CYS 58 6.317 7.346 -2.903 395 HA CYS 58 HA CYS 58 4.245 5.481 -3.857 396 HB2 CYS 58 1HB CYS 58 6.300 6.123 -5.388 397 HB3 CYS 58 2HB CYS 58 7.141 4.954 -4.378 398 HG CYS 58 HG CYS 58 4.394 4.322 -6.319 399 H VAL 59 H VAL 59 3.664 4.222 -2.218 400 HA VAL 59 HA VAL 59 5.575 3.558 -0.121 401 HB VAL 59 HB VAL 59 2.635 2.893 -0.335 402 HG11 VAL 59 1HG1 VAL 59 3.900 1.326 1.075 403 HG12 VAL 59 2HG1 VAL 59 4.502 2.685 2.026 404 HG13 VAL 59 3HG1 VAL 59 2.779 2.308 2.016 405 HG21 VAL 59 1HG2 VAL 59 2.266 5.002 0.255 406 HG22 VAL 59 2HG2 VAL 59 3.130 4.696 1.762 407 HG23 VAL 59 3HG2 VAL 59 3.997 5.319 0.359 408 H ARG 60 H ARG 60 6.932 1.978 -0.780 409 HA ARG 60 HA ARG 60 5.886 -0.335 -2.211 410 HB2 ARG 60 1HB ARG 60 7.899 0.297 -3.168 411 HB3 ARG 60 2HB ARG 60 8.616 0.733 -1.623 412 HG2 ARG 60 1HG ARG 60 9.103 -1.482 -1.086 413 HG3 ARG 60 2HG ARG 60 7.975 -2.116 -2.286 414 HD2 ARG 60 1HD ARG 60 9.937 -2.453 -3.399 415 HD3 ARG 60 2HD ARG 60 9.568 -0.818 -3.946 416 HE ARG 60 HE ARG 60 11.065 -0.469 -1.687 417 HH11 ARG 60 1HH1 ARG 60 11.501 -2.146 -4.706 418 HH12 ARG 60 2HH1 ARG 60 13.222 -1.945 -4.720 419 HH21 ARG 60 1HH2 ARG 60 13.330 -0.197 -1.693 420 HH22 ARG 60 2HH2 ARG 60 14.261 -0.837 -3.004 421 H PHE 61 H PHE 61 5.432 -2.224 -1.281 422 HA PHE 61 HA PHE 61 6.751 -3.073 1.143 423 HB2 PHE 61 1HB PHE 61 4.750 -3.302 2.486 424 HB3 PHE 61 2HB PHE 61 4.905 -1.625 1.971 425 HD1 PHE 61 1HD PHE 61 3.262 -4.814 0.971 426 HD2 PHE 61 2HD PHE 61 3.084 -0.562 1.043 427 HE1 PHE 61 1HE PHE 61 0.986 -4.897 0.040 428 HE2 PHE 61 2HE PHE 61 0.807 -0.639 0.113 429 HZ PHE 61 HZ PHE 61 -0.245 -2.808 -0.389 430 H VAL 62 H VAL 62 6.304 -5.290 1.687 431 HA VAL 62 HA VAL 62 5.387 -6.825 -0.647 432 HB VAL 62 HB VAL 62 7.228 -7.577 1.622 433 HG11 VAL 62 1HG1 VAL 62 7.470 -9.750 0.392 434 HG12 VAL 62 2HG1 VAL 62 5.914 -9.518 1.192 435 HG13 VAL 62 3HG1 VAL 62 6.052 -9.297 -0.552 436 HG21 VAL 62 1HG2 VAL 62 8.954 -7.436 0.134 437 HG22 VAL 62 2HG2 VAL 62 7.936 -7.818 -1.255 438 HG23 VAL 62 3HG2 VAL 62 7.888 -6.205 -0.544 439 HA PRO 63 HA PRO 63 1.842 -7.691 1.997 440 HB2 PRO 63 1HB PRO 63 0.360 -8.810 0.016 441 HB3 PRO 63 2HB PRO 63 0.517 -7.062 0.228 442 HG2 PRO 63 1HG PRO 63 1.958 -8.877 -1.667 443 HG3 PRO 63 2HG PRO 63 1.263 -7.273 -1.964 444 HD2 PRO 63 1HD PRO 63 3.910 -7.658 -1.542 445 HD3 PRO 63 2HD PRO 63 3.067 -6.180 -1.035 446 H GLN 64 H GLN 64 0.409 -9.790 2.073 447 HA GLN 64 HA GLN 64 2.236 -12.100 2.004 448 HB2 GLN 64 1HB GLN 64 0.065 -11.380 3.968 449 HB3 GLN 64 2HB GLN 64 0.764 -12.991 3.876 450 HG2 GLN 64 1HG GLN 64 2.250 -10.446 4.483 451 HG3 GLN 64 2HG GLN 64 1.790 -11.689 5.645 452 HE21 GLN 64 1HE2 GLN 64 3.882 -10.887 2.978 453 HE22 GLN 64 2HE2 GLN 64 5.015 -12.168 3.221 454 H GLU 65 H GLU 65 0.944 -14.238 2.051 455 HA GLU 65 HA GLU 65 -0.788 -14.203 -0.261 456 HB2 GLU 65 1HB GLU 65 -0.611 -16.591 -0.233 457 HB3 GLU 65 2HB GLU 65 0.985 -15.932 0.094 458 HG2 GLU 65 1HG GLU 65 0.615 -16.324 2.502 459 HG3 GLU 65 2HG GLU 65 -0.931 -17.075 2.112 460 H MET 66 H MET 66 -2.943 -14.314 -0.268 461 HA MET 66 HA MET 66 -5.075 -14.178 0.543 462 HB2 MET 66 1HB MET 66 -4.017 -16.633 1.944 463 HB3 MET 66 2HB MET 66 -5.710 -16.161 1.984 464 HG2 MET 66 1HG MET 66 -5.692 -17.677 0.268 465 HG3 MET 66 2HG MET 66 -5.498 -16.157 -0.602 466 HE1 MET 66 1HE MET 66 -2.230 -15.811 -1.795 467 HE2 MET 66 2HE MET 66 -3.301 -16.690 -2.886 468 HE3 MET 66 3HE MET 66 -3.954 -15.441 -1.824 469 H GLY 67 H GLY 67 -3.720 -12.262 1.763 470 HA2 GLY 67 1HA GLY 67 -4.835 -12.304 4.473 471 HA3 GLY 67 2HA GLY 67 -3.122 -11.952 4.294 472 H VAL 68 H VAL 68 -5.820 -10.461 4.983 473 HA VAL 68 HA VAL 68 -5.599 -8.212 3.146 474 HB VAL 68 HB VAL 68 -7.460 -8.624 5.492 475 HG11 VAL 68 1HG1 VAL 68 -6.791 -6.249 4.305 476 HG12 VAL 68 2HG1 VAL 68 -8.231 -6.732 3.405 477 HG13 VAL 68 3HG1 VAL 68 -8.298 -6.576 5.161 478 HG21 VAL 68 1HG2 VAL 68 -7.485 -9.966 3.114 479 HG22 VAL 68 2HG2 VAL 68 -8.897 -9.684 4.134 480 HG23 VAL 68 3HG2 VAL 68 -8.558 -8.607 2.779 481 H HIS 69 H HIS 69 -4.210 -6.628 3.524 482 HA HIS 69 HA HIS 69 -3.403 -6.081 6.301 483 HB2 HIS 69 1HB HIS 69 -1.928 -5.261 3.797 484 HB3 HIS 69 2HB HIS 69 -1.331 -5.223 5.453 485 HD1 HIS 69 1HD HIS 69 -2.608 -7.873 3.028 486 HD2 HIS 69 2HD HIS 69 0.231 -7.348 6.016 487 HE1 HIS 69 1HE HIS 69 -1.324 -10.033 3.123 488 HE2 HIS 69 2HE HIS 69 0.332 -9.722 4.996 489 H THR 70 H THR 70 -3.031 -3.847 6.899 490 HA THR 70 HA THR 70 -4.693 -1.961 5.357 491 HB THR 70 HB THR 70 -4.371 -1.730 8.334 492 HG1 THR 70 1HG THR 70 -6.337 -2.930 8.510 493 HG21 THR 70 1HG2 THR 70 -6.080 -0.219 8.219 494 HG22 THR 70 2HG2 THR 70 -6.840 -1.017 6.842 495 HG23 THR 70 3HG2 THR 70 -5.416 -0.004 6.600 496 H VAL 71 H VAL 71 -3.669 -0.197 4.686 497 HA VAL 71 HA VAL 71 -0.979 0.347 5.643 498 HB VAL 71 HB VAL 71 -2.516 1.800 3.489 499 HG11 VAL 71 1HG1 VAL 71 -0.512 2.781 2.857 500 HG12 VAL 71 2HG1 VAL 71 -0.408 2.794 4.619 501 HG13 VAL 71 3HG1 VAL 71 0.461 1.570 3.692 502 HG21 VAL 71 1HG2 VAL 71 -1.288 -0.837 3.503 503 HG22 VAL 71 2HG2 VAL 71 -2.375 -0.102 2.324 504 HG23 VAL 71 3HG2 VAL 71 -0.642 0.212 2.241 505 H SER 72 H SER 72 -0.878 1.467 7.491 506 HA SER 72 HA SER 72 -2.819 3.556 8.062 507 HB2 SER 72 1HB SER 72 -1.836 1.800 9.738 508 HB3 SER 72 2HB SER 72 -0.480 2.924 9.832 509 HG SER 72 HG SER 72 -1.833 4.488 10.609 510 H VAL 73 H VAL 73 -2.420 5.355 6.898 511 HA VAL 73 HA VAL 73 0.317 6.443 6.935 512 HB VAL 73 HB VAL 73 -1.917 7.171 5.037 513 HG11 VAL 73 1HG1 VAL 73 -0.255 8.355 3.793 514 HG12 VAL 73 2HG1 VAL 73 -0.155 8.893 5.471 515 HG13 VAL 73 3HG1 VAL 73 1.033 7.753 4.837 516 HG21 VAL 73 1HG2 VAL 73 -0.716 4.775 5.031 517 HG22 VAL 73 2HG2 VAL 73 -1.227 5.600 3.558 518 HG23 VAL 73 3HG2 VAL 73 0.455 5.689 4.081 519 H LYS 74 H LYS 74 0.444 7.750 8.668 520 HA LYS 74 HA LYS 74 -1.726 9.689 9.110 521 HB2 LYS 74 1HB LYS 74 0.187 8.303 10.923 522 HB3 LYS 74 2HB LYS 74 -0.309 9.934 11.354 523 HG2 LYS 74 1HG LYS 74 -2.714 8.947 10.900 524 HG3 LYS 74 2HG LYS 74 -1.894 7.427 11.264 525 HD2 LYS 74 1HD LYS 74 -2.300 9.824 13.018 526 HD3 LYS 74 2HD LYS 74 -2.683 8.131 13.341 527 HE2 LYS 74 1HE LYS 74 -0.117 7.784 13.153 528 HE3 LYS 74 2HE LYS 74 -0.035 9.525 13.419 529 HZ1 LYS 74 1HZ LYS 74 -1.764 8.594 15.332 530 HZ2 LYS 74 2HZ LYS 74 -0.157 9.065 15.572 531 HZ3 LYS 74 3HZ LYS 74 -0.529 7.438 15.292 532 H TYR 75 H TYR 75 -1.231 11.877 9.465 533 HA TYR 75 HA TYR 75 1.498 12.699 8.732 534 HB2 TYR 75 1HB TYR 75 0.239 13.056 6.745 535 HB3 TYR 75 2HB TYR 75 -1.113 13.742 7.639 536 HD1 TYR 75 1HD TYR 75 2.525 14.379 7.055 537 HD2 TYR 75 2HD TYR 75 -1.348 16.038 7.647 538 HE1 TYR 75 1HE TYR 75 3.443 16.633 6.699 539 HE2 TYR 75 2HE TYR 75 -0.441 18.297 7.290 540 HH TYR 75 HH TYR 75 2.984 18.885 7.055 541 H ARG 76 H ARG 76 2.351 13.773 10.374 542 HA ARG 76 HA ARG 76 2.606 15.128 12.184 543 HB2 ARG 76 1HB ARG 76 0.231 16.565 10.982 544 HB3 ARG 76 2HB ARG 76 1.309 17.216 12.209 545 HG2 ARG 76 1HG ARG 76 2.519 16.270 9.673 546 HG3 ARG 76 2HG ARG 76 1.597 17.774 9.643 547 HD2 ARG 76 1HD ARG 76 4.057 17.111 11.230 548 HD3 ARG 76 2HD ARG 76 3.813 18.421 10.077 549 HE ARG 76 HE ARG 76 2.015 18.981 12.008 550 HH11 ARG 76 1HH1 ARG 76 5.419 18.256 12.074 551 HH12 ARG 76 2HH1 ARG 76 5.729 19.216 13.483 552 HH21 ARG 76 1HH2 ARG 76 2.410 20.248 13.863 553 HH22 ARG 76 2HH2 ARG 76 4.016 20.348 14.500 554 H GLY 77 H GLY 77 0.873 12.776 12.390 555 HA2 GLY 77 1HA GLY 77 -0.203 11.822 14.214 556 HA3 GLY 77 2HA GLY 77 -0.303 13.414 14.952 557 H GLN 78 H GLN 78 -1.441 12.802 11.709 558 HA GLN 78 HA GLN 78 -4.207 12.617 12.614 559 HB2 GLN 78 1HB GLN 78 -3.076 14.887 11.001 560 HB3 GLN 78 2HB GLN 78 -4.770 14.434 10.864 561 HG2 GLN 78 1HG GLN 78 -3.537 15.008 13.529 562 HG3 GLN 78 2HG GLN 78 -4.116 16.309 12.490 563 HE21 GLN 78 1HE2 GLN 78 -5.865 16.989 13.566 564 HE22 GLN 78 2HE2 GLN 78 -7.227 16.003 13.961 565 H HIS 79 H HIS 79 -5.256 11.149 11.453 566 HA HIS 79 HA HIS 79 -4.044 9.849 9.242 567 HB2 HIS 79 1HB HIS 79 -6.660 9.645 10.662 568 HB3 HIS 79 2HB HIS 79 -6.519 8.905 9.071 569 HD1 HIS 79 1HD HIS 79 -5.169 6.758 8.888 570 HD2 HIS 79 2HD HIS 79 -5.026 8.470 12.670 571 HE1 HIS 79 1HE HIS 79 -4.103 5.028 10.369 572 HE2 HIS 79 2HE HIS 79 -4.105 6.053 12.670 573 H VAL 80 H VAL 80 -4.180 10.232 7.122 574 HA VAL 80 HA VAL 80 -5.497 12.592 6.180 575 HB VAL 80 HB VAL 80 -4.680 11.876 3.938 576 HG11 VAL 80 1HG1 VAL 80 -3.138 13.257 4.894 577 HG12 VAL 80 2HG1 VAL 80 -2.921 12.221 6.306 578 HG13 VAL 80 3HG1 VAL 80 -2.167 11.790 4.770 579 HG21 VAL 80 1HG2 VAL 80 -4.834 9.401 4.570 580 HG22 VAL 80 2HG2 VAL 80 -3.447 9.911 3.608 581 HG23 VAL 80 3HG2 VAL 80 -3.263 9.630 5.339 582 H THR 81 H THR 81 -6.709 12.329 3.959 583 HA THR 81 HA THR 81 -9.181 11.097 4.525 584 HB THR 81 HB THR 81 -8.675 13.070 2.929 585 HG1 THR 81 1HG THR 81 -10.502 11.002 2.204 586 HG21 THR 81 1HG2 THR 81 -7.092 11.681 1.534 587 HG22 THR 81 2HG2 THR 81 -8.326 12.560 0.632 588 HG23 THR 81 3HG2 THR 81 -8.509 10.830 0.920 589 H GLY 82 H GLY 82 -10.040 9.163 3.973 590 HA2 GLY 82 1HA GLY 82 -10.250 7.139 2.822 591 HA3 GLY 82 2HA GLY 82 -8.737 7.480 1.994 592 H SER 83 H SER 83 -7.161 7.969 4.317 593 HA SER 83 HA SER 83 -6.432 5.296 4.946 594 HB2 SER 83 1HB SER 83 -4.664 6.874 4.887 595 HB3 SER 83 2HB SER 83 -5.511 7.982 5.965 596 HG SER 83 HG SER 83 -4.131 6.998 7.298 597 HA PRO 84 HA PRO 84 -5.295 4.215 6.579 598 HB2 PRO 84 1HB PRO 84 -6.091 1.762 7.426 599 HB3 PRO 84 2HB PRO 84 -5.340 2.951 8.497 600 HG2 PRO 84 1HG PRO 84 -8.236 2.283 8.145 601 HG3 PRO 84 2HG PRO 84 -7.329 2.576 9.641 602 HD2 PRO 84 1HD PRO 84 -8.907 4.459 8.500 603 HD3 PRO 84 2HD PRO 84 -7.433 4.867 9.402 604 H PHE 85 H PHE 85 -4.929 2.862 4.823 605 HA PHE 85 HA PHE 85 -7.252 2.447 3.094 606 HB2 PHE 85 1HB PHE 85 -4.285 2.388 2.511 607 HB3 PHE 85 2HB PHE 85 -5.537 2.068 1.314 608 HD1 PHE 85 2HD PHE 85 -7.237 3.910 0.858 609 HD2 PHE 85 1HD PHE 85 -3.584 4.560 2.944 610 HE1 PHE 85 2HE PHE 85 -7.397 6.319 0.381 611 HE2 PHE 85 1HE PHE 85 -3.739 6.970 2.472 612 HZ PHE 85 HZ PHE 85 -5.647 7.852 1.188 613 H GLN 86 H GLN 86 -8.195 0.525 3.184 614 HA GLN 86 HA GLN 86 -6.631 -1.822 3.952 615 HB2 GLN 86 1HB GLN 86 -8.961 -1.115 4.922 616 HB3 GLN 86 2HB GLN 86 -9.585 -1.879 3.466 617 HG2 GLN 86 1HG GLN 86 -8.121 -3.887 4.190 618 HG3 GLN 86 2HG GLN 86 -8.136 -3.105 5.770 619 HE21 GLN 86 1HE2 GLN 86 -10.063 -2.959 6.912 620 HE22 GLN 86 2HE2 GLN 86 -11.446 -3.913 6.510 621 H PHE 87 H PHE 87 -6.094 -3.401 2.576 622 HA PHE 87 HA PHE 87 -7.493 -3.632 0.021 623 HB2 PHE 87 1HB PHE 87 -5.514 -3.541 -1.302 624 HB3 PHE 87 2HB PHE 87 -5.472 -2.129 -0.252 625 HD1 PHE 87 2HD PHE 87 -4.244 -5.638 -0.442 626 HD2 PHE 87 1HD PHE 87 -3.569 -1.679 0.969 627 HE1 PHE 87 2HE PHE 87 -2.017 -6.308 0.361 628 HE2 PHE 87 1HE PHE 87 -1.340 -2.343 1.773 629 HZ PHE 87 HZ PHE 87 -0.562 -4.660 1.471 630 H THR 88 H THR 88 -7.141 -5.661 -1.054 631 HA THR 88 HA THR 88 -6.337 -7.784 0.820 632 HB THR 88 HB THR 88 -8.097 -8.130 -1.608 633 HG1 THR 88 1HG THR 88 -9.232 -8.151 0.930 634 HG21 THR 88 1HG2 THR 88 -6.948 -10.130 -0.608 635 HG22 THR 88 2HG2 THR 88 -8.710 -10.217 -0.618 636 HG23 THR 88 3HG2 THR 88 -7.854 -9.826 0.874 637 H VAL 89 H VAL 89 -4.954 -9.404 0.179 638 HA VAL 89 HA VAL 89 -3.330 -8.804 -2.168 639 HB VAL 89 HB VAL 89 -2.874 -10.884 -0.025 640 HG11 VAL 89 1HG1 VAL 89 -0.439 -10.322 -1.028 641 HG12 VAL 89 2HG1 VAL 89 -1.459 -11.637 -1.615 642 HG13 VAL 89 3HG1 VAL 89 -1.428 -10.094 -2.470 643 HG21 VAL 89 1HG2 VAL 89 -1.561 -8.185 -0.294 644 HG22 VAL 89 2HG2 VAL 89 -2.911 -8.516 0.792 645 HG23 VAL 89 3HG2 VAL 89 -1.373 -9.348 1.019 646 H GLY 90 H GLY 90 -3.209 -10.050 -3.958 647 HA2 GLY 90 1HA GLY 90 -4.936 -12.446 -4.017 648 HA3 GLY 90 2HA GLY 90 -4.665 -11.392 -5.397 649 HA PRO 91 HA PRO 91 -1.859 -15.002 -5.923 650 HB2 PRO 91 1HB PRO 91 -2.225 -15.168 -8.608 651 HB3 PRO 91 2HB PRO 91 -3.309 -15.935 -7.442 652 HG2 PRO 91 1HG PRO 91 -3.635 -13.350 -8.916 653 HG3 PRO 91 2HG PRO 91 -4.832 -14.621 -8.608 654 HD2 PRO 91 1HD PRO 91 -4.722 -12.341 -7.153 655 HD3 PRO 91 2HD PRO 91 -5.242 -13.891 -6.461 656 H LEU 92 H LEU 92 0.254 -14.928 -6.526 657 HA LEU 92 HA LEU 92 1.643 -12.603 -6.794 658 HB2 LEU 92 1HB LEU 92 3.477 -13.922 -7.756 659 HB3 LEU 92 2HB LEU 92 2.739 -14.702 -6.359 660 HG LEU 92 HG LEU 92 1.955 -15.472 -9.150 661 HD11 LEU 92 1HD1 LEU 92 3.869 -16.518 -9.554 662 HD12 LEU 92 2HD1 LEU 92 3.849 -17.284 -7.965 663 HD13 LEU 92 3HD1 LEU 92 4.559 -15.682 -8.163 664 HD21 LEU 92 1HD2 LEU 92 1.885 -17.694 -7.608 665 HD22 LEU 92 2HD2 LEU 92 0.513 -16.614 -7.856 666 HD23 LEU 92 3HD2 LEU 92 1.514 -16.451 -6.413 667 H GLY 93 H GLY 93 -0.242 -14.172 -9.210 668 HA2 GLY 93 1HA GLY 93 -0.718 -12.293 -10.968 669 HA3 GLY 93 2HA GLY 93 0.971 -12.585 -11.357 670 H GLU 94 H GLU 94 0.796 -13.458 -13.355 671 HA GLU 94 HA GLU 94 -0.997 -15.759 -13.700 672 HB2 GLU 94 1HB GLU 94 -1.212 -13.856 -15.294 673 HB3 GLU 94 2HB GLU 94 0.439 -14.152 -15.819 674 HG2 GLU 94 1HG GLU 94 -1.037 -15.139 -17.403 675 HG3 GLU 94 2HG GLU 94 -0.247 -16.435 -16.506 676 H GLY 95 H GLY 95 2.138 -14.824 -15.123 677 HA2 GLY 95 1HA GLY 95 4.151 -15.976 -15.136 678 HA3 GLY 95 2HA GLY 95 3.430 -17.185 -14.084 679 H GLY 96 H GLY 96 5.086 -17.986 -16.099 680 HA2 GLY 96 1HA GLY 96 3.420 -19.795 -17.527 681 HA3 GLY 96 2HA GLY 96 3.994 -18.518 -18.589 682 H SER 97 H SER 97 4.761 -20.851 -19.404 683 HA SER 97 HA SER 97 7.064 -21.965 -18.205 684 HB2 SER 97 1HB SER 97 5.446 -22.905 -20.059 685 HB3 SER 97 2HB SER 97 6.606 -22.159 -21.158 686 HG SER 97 HG SER 97 8.160 -23.511 -20.463 687 H GLY 98 H GLY 98 9.194 -21.529 -18.416 688 HA2 GLY 98 1HA GLY 98 10.077 -19.643 -20.472 689 HA3 GLY 98 2HA GLY 98 10.330 -19.184 -18.794 690 HA PRO 99 HA PRO 99 14.205 -21.242 -18.915 691 HB2 PRO 99 1HB PRO 99 14.539 -21.755 -16.270 692 HB3 PRO 99 2HB PRO 99 14.694 -20.136 -16.962 693 HG2 PRO 99 1HG PRO 99 12.374 -21.370 -15.528 694 HG3 PRO 99 2HG PRO 99 13.052 -19.740 -15.364 695 HD2 PRO 99 1HD PRO 99 10.826 -20.252 -16.818 696 HD3 PRO 99 2HD PRO 99 11.970 -18.964 -17.245 697 H SER 100 H SER 100 14.414 -23.228 -19.730 698 HA SER 100 HA SER 100 13.214 -25.480 -18.253 699 HB2 SER 100 1HB SER 100 13.367 -24.924 -21.194 700 HB3 SER 100 2HB SER 100 13.348 -26.595 -20.629 701 HG SER 100 HG SER 100 11.307 -24.868 -20.848 702 H SER 101 H SER 101 14.384 -27.461 -18.248 703 HA SER 101 HA SER 101 17.168 -27.142 -17.886 704 HB2 SER 101 1HB SER 101 17.208 -29.557 -17.504 705 HB3 SER 101 2HB SER 101 15.826 -28.835 -16.681 706 HG SER 101 HG SER 101 15.815 -30.246 -19.143 707 H GLY 102 H GLY 102 17.948 -26.287 -19.861 708 HA2 GLY 102 1HA GLY 102 18.748 -28.334 -21.737 709 HA3 GLY 102 2HA GLY 102 17.655 -27.135 -22.413 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -25.982 -1.550 14.749 2 HA2 GLY 1 1HA GLY 1 -25.570 -3.860 13.073 3 HA3 GLY 1 2HA GLY 1 -27.259 -3.397 13.221 4 H SER 2 H SER 2 -24.069 -2.019 12.457 5 HA SER 2 HA SER 2 -25.346 0.032 10.823 6 HB2 SER 2 1HB SER 2 -22.538 -0.403 11.815 7 HB3 SER 2 2HB SER 2 -22.876 0.754 10.528 8 HG SER 2 HG SER 2 -23.882 0.756 13.177 9 H SER 3 H SER 3 -25.218 0.152 8.634 10 HA SER 3 HA SER 3 -24.519 -2.267 7.231 11 HB2 SER 3 1HB SER 3 -25.665 0.378 6.327 12 HB3 SER 3 2HB SER 3 -25.301 -0.939 5.213 13 HG SER 3 HG SER 3 -26.668 -2.167 6.905 14 H GLY 4 H GLY 4 -22.806 -2.621 5.909 15 HA2 GLY 4 1HA GLY 4 -20.840 -0.425 5.684 16 HA3 GLY 4 2HA GLY 4 -20.382 -2.104 5.931 17 H SER 5 H SER 5 -19.356 -2.716 4.138 18 HA SER 5 HA SER 5 -20.724 -2.272 1.567 19 HB2 SER 5 1HB SER 5 -18.464 -2.140 0.509 20 HB3 SER 5 2HB SER 5 -18.792 -0.813 1.624 21 HG SER 5 HG SER 5 -17.416 -3.160 2.406 22 H SER 6 H SER 6 -20.744 -3.963 0.126 23 HA SER 6 HA SER 6 -19.284 -6.402 0.764 24 HB2 SER 6 1HB SER 6 -21.255 -7.811 0.765 25 HB3 SER 6 2HB SER 6 -21.457 -6.555 1.987 26 HG SER 6 HG SER 6 -23.308 -6.935 0.575 27 H GLY 7 H GLY 7 -18.351 -7.020 -1.063 28 HA2 GLY 7 1HA GLY 7 -19.670 -7.659 -3.422 29 HA3 GLY 7 2HA GLY 7 -19.098 -6.008 -3.607 30 H ARG 8 H ARG 8 -18.322 -9.235 -3.992 31 HA ARG 8 HA ARG 8 -15.737 -9.669 -3.423 32 HB2 ARG 8 1HB ARG 8 -17.326 -10.299 -5.879 33 HB3 ARG 8 2HB ARG 8 -15.612 -10.687 -5.846 34 HG2 ARG 8 1HG ARG 8 -15.866 -12.256 -4.161 35 HG3 ARG 8 2HG ARG 8 -17.406 -11.578 -3.628 36 HD2 ARG 8 1HD ARG 8 -18.585 -12.558 -5.363 37 HD3 ARG 8 2HD ARG 8 -17.150 -12.728 -6.374 38 HE ARG 8 HE ARG 8 -18.166 -14.651 -4.586 39 HH11 ARG 8 1HH1 ARG 8 -15.152 -13.257 -5.633 40 HH12 ARG 8 2HH1 ARG 8 -14.224 -14.679 -5.287 41 HH21 ARG 8 1HH2 ARG 8 -16.955 -16.528 -4.125 42 HH22 ARG 8 2HH2 ARG 8 -15.251 -16.539 -4.429 43 H ALA 9 H ALA 9 -14.151 -8.201 -3.415 44 HA ALA 9 HA ALA 9 -13.890 -6.300 -5.607 45 HB1 ALA 9 1HB ALA 9 -11.770 -6.117 -3.685 46 HB2 ALA 9 2HB ALA 9 -13.043 -4.954 -4.059 47 HB3 ALA 9 3HB ALA 9 -13.326 -6.216 -2.859 48 HA PRO 10 HA PRO 10 -10.773 -8.534 -7.761 49 HB2 PRO 10 1HB PRO 10 -9.480 -6.471 -8.961 50 HB3 PRO 10 2HB PRO 10 -11.078 -7.029 -9.469 51 HG2 PRO 10 1HG PRO 10 -10.348 -4.706 -7.728 52 HG3 PRO 10 2HG PRO 10 -11.549 -4.795 -9.030 53 HD2 PRO 10 1HD PRO 10 -12.224 -4.947 -6.412 54 HD3 PRO 10 2HD PRO 10 -13.122 -5.805 -7.681 55 H SER 11 H SER 11 -8.318 -8.403 -8.178 56 HA SER 11 HA SER 11 -7.030 -7.974 -5.588 57 HB2 SER 11 1HB SER 11 -6.151 -9.507 -8.044 58 HB3 SER 11 2HB SER 11 -5.171 -9.330 -6.589 59 HG SER 11 HG SER 11 -7.794 -10.397 -6.569 60 H VAL 12 H VAL 12 -6.529 -5.831 -5.489 61 HA VAL 12 HA VAL 12 -5.397 -4.398 -7.696 62 HB VAL 12 HB VAL 12 -5.088 -2.558 -6.101 63 HG11 VAL 12 1HG1 VAL 12 -7.732 -3.981 -6.123 64 HG12 VAL 12 2HG1 VAL 12 -7.526 -2.403 -5.361 65 HG13 VAL 12 3HG1 VAL 12 -7.217 -2.598 -7.087 66 HG21 VAL 12 1HG2 VAL 12 -6.132 -3.014 -3.766 67 HG22 VAL 12 2HG2 VAL 12 -5.741 -4.698 -4.116 68 HG23 VAL 12 3HG2 VAL 12 -4.461 -3.486 -4.076 69 H ALA 13 H ALA 13 -4.153 -6.267 -5.061 70 HA ALA 13 HA ALA 13 -1.415 -5.524 -5.861 71 HB1 ALA 13 1HB ALA 13 -2.166 -6.432 -3.095 72 HB2 ALA 13 2HB ALA 13 -0.658 -5.690 -3.633 73 HB3 ALA 13 3HB ALA 13 -2.138 -4.733 -3.566 74 H THR 14 H THR 14 0.205 -7.255 -5.304 75 HA THR 14 HA THR 14 -0.969 -9.929 -5.713 76 HB THR 14 HB THR 14 1.669 -8.970 -6.837 77 HG1 THR 14 1HG THR 14 0.457 -8.137 -8.353 78 HG21 THR 14 1HG2 THR 14 1.381 -11.068 -8.232 79 HG22 THR 14 2HG2 THR 14 0.103 -11.529 -7.108 80 HG23 THR 14 3HG2 THR 14 1.755 -11.319 -6.528 81 H VAL 15 H VAL 15 0.301 -11.723 -4.914 82 HA VAL 15 HA VAL 15 1.541 -11.089 -2.372 83 HB VAL 15 HB VAL 15 -0.064 -12.951 -2.528 84 HG11 VAL 15 1HG1 VAL 15 1.715 -14.889 -3.718 85 HG12 VAL 15 2HG1 VAL 15 0.033 -14.520 -4.103 86 HG13 VAL 15 3HG1 VAL 15 1.334 -13.591 -4.848 87 HG21 VAL 15 1HG2 VAL 15 2.452 -14.363 -1.903 88 HG22 VAL 15 2HG2 VAL 15 2.173 -12.847 -1.047 89 HG23 VAL 15 3HG2 VAL 15 0.996 -14.154 -0.931 90 H GLY 16 H GLY 16 3.658 -11.319 -1.847 91 HA2 GLY 16 1HA GLY 16 5.894 -11.907 -2.075 92 HA3 GLY 16 2HA GLY 16 5.495 -12.728 -3.577 93 H SER 17 H SER 17 4.213 -10.463 -4.812 94 HA SER 17 HA SER 17 6.592 -9.132 -5.766 95 HB2 SER 17 1HB SER 17 3.719 -9.224 -6.614 96 HB3 SER 17 2HB SER 17 4.756 -7.930 -7.215 97 HG SER 17 HG SER 17 5.655 -10.583 -7.353 98 H ILE 18 H ILE 18 7.074 -6.964 -5.614 99 HA ILE 18 HA ILE 18 6.235 -5.621 -3.271 100 HB ILE 18 HB ILE 18 7.720 -4.533 -5.666 101 HG12 ILE 18 1HG1 ILE 18 8.800 -6.446 -4.459 102 HG13 ILE 18 2HG1 ILE 18 9.731 -4.953 -4.410 103 HG21 ILE 18 1HG2 ILE 18 7.025 -2.611 -4.620 104 HG22 ILE 18 2HG2 ILE 18 7.001 -3.358 -3.023 105 HG23 ILE 18 3HG2 ILE 18 8.538 -2.922 -3.770 106 HD11 ILE 18 1HD1 ILE 18 7.904 -5.304 -2.155 107 HD12 ILE 18 2HD1 ILE 18 9.180 -6.517 -2.267 108 HD13 ILE 18 3HD1 ILE 18 9.595 -4.805 -2.188 109 H CYS 19 H CYS 19 4.530 -4.368 -2.913 110 HA CYS 19 HA CYS 19 2.843 -3.600 -5.166 111 HB2 CYS 19 1HB CYS 19 1.897 -4.746 -3.133 112 HB3 CYS 19 2HB CYS 19 2.267 -3.291 -2.216 113 HG CYS 19 HG CYS 19 0.650 -1.820 -4.286 114 H ASP 20 H ASP 20 2.462 -1.539 -5.787 115 HA ASP 20 HA ASP 20 3.938 0.571 -4.355 116 HB2 ASP 20 1HB ASP 20 3.599 1.716 -6.729 117 HB3 ASP 20 2HB ASP 20 4.942 0.620 -6.417 118 H LEU 21 H LEU 21 2.747 2.040 -3.353 119 HA LEU 21 HA LEU 21 -0.104 2.203 -3.898 120 HB2 LEU 21 1HB LEU 21 1.099 2.159 -1.583 121 HB3 LEU 21 2HB LEU 21 1.314 3.884 -1.876 122 HG LEU 21 HG LEU 21 -1.135 4.133 -2.044 123 HD11 LEU 21 1HD1 LEU 21 -2.123 2.191 -2.677 124 HD12 LEU 21 2HD1 LEU 21 -2.319 2.029 -0.932 125 HD13 LEU 21 3HD1 LEU 21 -1.005 1.188 -1.753 126 HD21 LEU 21 1HD2 LEU 21 0.017 2.927 0.459 127 HD22 LEU 21 2HD2 LEU 21 -1.604 3.617 0.387 128 HD23 LEU 21 3HD2 LEU 21 -0.198 4.633 0.066 129 H ASN 22 H ASN 22 -1.198 4.158 -4.359 130 HA ASN 22 HA ASN 22 0.476 6.106 -5.787 131 HB2 ASN 22 1HB ASN 22 -2.365 5.194 -6.135 132 HB3 ASN 22 2HB ASN 22 -1.848 6.752 -6.772 133 HD21 ASN 22 1HD2 ASN 22 -1.061 3.311 -6.800 134 HD22 ASN 22 2HD2 ASN 22 -0.439 3.285 -8.412 135 H LEU 23 H LEU 23 0.957 7.788 -4.527 136 HA LEU 23 HA LEU 23 -1.247 9.128 -3.121 137 HB2 LEU 23 1HB LEU 23 1.529 8.777 -2.002 138 HB3 LEU 23 2HB LEU 23 0.172 9.588 -1.222 139 HG LEU 23 HG LEU 23 0.235 6.644 -1.873 140 HD11 LEU 23 1HD1 LEU 23 1.440 8.146 0.307 141 HD12 LEU 23 2HD1 LEU 23 1.672 6.467 -0.178 142 HD13 LEU 23 3HD1 LEU 23 0.317 6.905 0.862 143 HD21 LEU 23 1HD2 LEU 23 -1.510 7.832 0.206 144 HD22 LEU 23 2HD2 LEU 23 -1.800 6.473 -0.880 145 HD23 LEU 23 3HD2 LEU 23 -1.942 8.127 -1.478 146 H LYS 24 H LYS 24 -1.099 11.373 -2.986 147 HA LYS 24 HA LYS 24 1.201 12.745 -4.081 148 HB2 LYS 24 1HB LYS 24 -0.031 13.888 -5.849 149 HB3 LYS 24 2HB LYS 24 -0.055 12.149 -6.107 150 HG2 LYS 24 1HG LYS 24 -2.327 12.153 -4.990 151 HG3 LYS 24 2HG LYS 24 -2.282 13.912 -5.136 152 HD2 LYS 24 1HD LYS 24 -3.369 13.365 -7.080 153 HD3 LYS 24 2HD LYS 24 -1.695 13.357 -7.642 154 HE2 LYS 24 1HE LYS 24 -1.595 11.039 -7.704 155 HE3 LYS 24 2HE LYS 24 -2.947 10.852 -6.588 156 HZ1 LYS 24 1HZ LYS 24 -3.178 10.509 -9.198 157 HZ2 LYS 24 2HZ LYS 24 -3.525 12.163 -9.122 158 HZ3 LYS 24 3HZ LYS 24 -4.455 11.063 -8.235 159 H ILE 25 H ILE 25 1.516 14.267 -2.601 160 HA ILE 25 HA ILE 25 -0.636 16.106 -1.962 161 HB ILE 25 HB ILE 25 0.864 14.863 0.328 162 HG12 ILE 25 1HG1 ILE 25 -1.899 14.088 -0.628 163 HG13 ILE 25 2HG1 ILE 25 -0.452 13.120 -0.886 164 HG21 ILE 25 1HG2 ILE 25 -0.386 17.146 0.370 165 HG22 ILE 25 2HG2 ILE 25 -1.831 16.140 0.459 166 HG23 ILE 25 3HG2 ILE 25 -0.589 16.011 1.704 167 HD11 ILE 25 1HD1 ILE 25 -0.336 12.468 1.294 168 HD12 ILE 25 2HD1 ILE 25 -1.145 13.919 1.888 169 HD13 ILE 25 3HD1 ILE 25 -2.081 12.643 1.110 170 HA PRO 26 HA PRO 26 3.158 18.491 -2.495 171 HB2 PRO 26 1HB PRO 26 1.873 20.847 -2.908 172 HB3 PRO 26 2HB PRO 26 2.077 19.629 -4.173 173 HG2 PRO 26 1HG PRO 26 -0.302 20.184 -2.443 174 HG3 PRO 26 2HG PRO 26 -0.239 19.839 -4.181 175 HD2 PRO 26 1HD PRO 26 -0.904 17.962 -2.347 176 HD3 PRO 26 2HD PRO 26 -0.048 17.566 -3.851 177 H GLU 27 H GLU 27 0.423 19.141 -0.381 178 HA GLU 27 HA GLU 27 1.704 21.151 1.174 179 HB2 GLU 27 1HB GLU 27 -0.714 19.413 1.616 180 HB3 GLU 27 2HB GLU 27 -0.140 20.524 2.851 181 HG2 GLU 27 1HG GLU 27 -1.120 21.208 0.094 182 HG3 GLU 27 2HG GLU 27 -1.886 21.591 1.634 183 H ILE 28 H ILE 28 1.370 17.652 1.469 184 HA ILE 28 HA ILE 28 3.052 17.705 3.876 185 HB ILE 28 HB ILE 28 1.278 15.553 2.731 186 HG12 ILE 28 1HG1 ILE 28 1.199 16.694 5.510 187 HG13 ILE 28 2HG1 ILE 28 0.419 17.536 4.176 188 HG21 ILE 28 1HG2 ILE 28 3.569 15.349 4.556 189 HG22 ILE 28 2HG2 ILE 28 2.095 14.562 5.118 190 HG23 ILE 28 3HG2 ILE 28 2.793 14.116 3.562 191 HD11 ILE 28 1HD1 ILE 28 -1.296 16.286 5.073 192 HD12 ILE 28 2HD1 ILE 28 -0.739 15.268 3.744 193 HD13 ILE 28 3HD1 ILE 28 -0.255 14.900 5.399 194 H ASN 29 H ASN 29 4.963 16.559 4.002 195 HA ASN 29 HA ASN 29 6.089 15.738 1.415 196 HB2 ASN 29 1HB ASN 29 7.233 16.978 3.867 197 HB3 ASN 29 2HB ASN 29 8.267 15.876 2.962 198 HD21 ASN 29 1HD2 ASN 29 7.069 19.006 3.200 199 HD22 ASN 29 2HD2 ASN 29 7.645 19.613 1.688 200 H SER 30 H SER 30 8.121 14.154 2.032 201 HA SER 30 HA SER 30 6.796 11.761 3.022 202 HB2 SER 30 1HB SER 30 7.920 11.197 1.087 203 HB3 SER 30 2HB SER 30 9.241 12.323 1.399 204 HG SER 30 HG SER 30 10.006 10.261 1.738 205 H SER 31 H SER 31 8.825 14.168 4.219 206 HA SER 31 HA SER 31 10.312 12.542 6.069 207 HB2 SER 31 1HB SER 31 9.929 15.537 5.869 208 HB3 SER 31 2HB SER 31 10.995 14.753 7.035 209 HG SER 31 HG SER 31 11.183 14.623 4.205 210 H ASP 32 H ASP 32 7.310 14.310 6.079 211 HA ASP 32 HA ASP 32 6.989 13.889 8.959 212 HB2 ASP 32 1HB ASP 32 4.764 15.203 8.363 213 HB3 ASP 32 2HB ASP 32 6.296 16.045 8.578 214 H MET 33 H MET 33 6.316 12.333 6.098 215 HA MET 33 HA MET 33 3.761 11.220 6.915 216 HB2 MET 33 1HB MET 33 5.497 10.955 4.483 217 HB3 MET 33 2HB MET 33 4.205 9.800 4.777 218 HG2 MET 33 1HG MET 33 2.551 11.502 4.683 219 HG3 MET 33 2HG MET 33 3.774 12.771 4.681 220 HE1 MET 33 1HE MET 33 3.397 9.802 1.172 221 HE2 MET 33 2HE MET 33 4.142 9.435 2.727 222 HE3 MET 33 3HE MET 33 2.397 9.668 2.619 223 H SER 34 H SER 34 3.422 8.917 7.120 224 HA SER 34 HA SER 34 5.700 7.196 7.524 225 HB2 SER 34 1HB SER 34 3.927 7.854 9.889 226 HB3 SER 34 2HB SER 34 5.267 6.706 9.872 227 HG SER 34 HG SER 34 6.581 8.599 9.246 228 H ALA 35 H ALA 35 5.098 5.353 6.620 229 HA ALA 35 HA ALA 35 2.266 4.564 6.751 230 HB1 ALA 35 1HB ALA 35 4.417 4.040 4.731 231 HB2 ALA 35 2HB ALA 35 2.979 3.021 4.820 232 HB3 ALA 35 3HB ALA 35 2.818 4.747 4.497 233 H HIS 36 H HIS 36 1.675 2.553 7.470 234 HA HIS 36 HA HIS 36 3.800 0.739 8.371 235 HB2 HIS 36 1HB HIS 36 1.402 1.488 10.055 236 HB3 HIS 36 2HB HIS 36 2.700 0.388 10.507 237 HD1 HIS 36 1HD HIS 36 1.666 3.814 10.851 238 HD2 HIS 36 2HD HIS 36 5.307 1.825 10.644 239 HE1 HIS 36 1HE HIS 36 3.361 5.417 11.789 240 HE2 HIS 36 2HE HIS 36 5.569 4.224 11.575 241 H VAL 37 H VAL 37 3.477 -1.241 7.618 242 HA VAL 37 HA VAL 37 0.896 -1.950 6.485 243 HB VAL 37 HB VAL 37 3.519 -3.449 6.490 244 HG11 VAL 37 1HG1 VAL 37 2.561 -5.026 5.028 245 HG12 VAL 37 2HG1 VAL 37 1.392 -4.833 6.335 246 HG13 VAL 37 3HG1 VAL 37 1.119 -4.042 4.782 247 HG21 VAL 37 1HG2 VAL 37 3.078 -2.818 3.922 248 HG22 VAL 37 2HG2 VAL 37 2.294 -1.442 4.698 249 HG23 VAL 37 3HG2 VAL 37 3.993 -1.789 5.023 250 H THR 38 H THR 38 -0.520 -2.484 8.069 251 HA THR 38 HA THR 38 0.308 -4.285 10.209 252 HB THR 38 HB THR 38 -2.461 -3.160 9.834 253 HG1 THR 38 1HG THR 38 -1.632 -1.486 11.330 254 HG21 THR 38 1HG2 THR 38 -2.734 -3.567 12.138 255 HG22 THR 38 2HG2 THR 38 -1.001 -3.774 12.392 256 HG23 THR 38 3HG2 THR 38 -1.918 -5.002 11.520 257 H SER 39 H SER 39 0.073 -6.407 10.041 258 HA SER 39 HA SER 39 -1.478 -7.546 7.883 259 HB2 SER 39 1HB SER 39 0.481 -8.585 9.886 260 HB3 SER 39 2HB SER 39 -0.625 -9.728 9.123 261 HG SER 39 HG SER 39 1.427 -8.200 7.991 262 HA PRO 40 HA PRO 40 -5.125 -8.613 10.073 263 HB2 PRO 40 1HB PRO 40 -5.713 -11.056 9.044 264 HB3 PRO 40 2HB PRO 40 -5.896 -9.557 8.125 265 HG2 PRO 40 1HG PRO 40 -3.671 -11.559 8.060 266 HG3 PRO 40 2HG PRO 40 -4.467 -10.727 6.712 267 HD2 PRO 40 1HD PRO 40 -2.067 -9.946 7.692 268 HD3 PRO 40 2HD PRO 40 -3.239 -8.800 7.011 269 H SER 41 H SER 41 -2.287 -10.468 10.429 270 HA SER 41 HA SER 41 -3.403 -12.286 12.396 271 HB2 SER 41 1HB SER 41 -1.104 -13.170 12.552 272 HB3 SER 41 2HB SER 41 -1.661 -13.108 10.880 273 HG SER 41 HG SER 41 0.381 -11.740 12.110 274 H GLY 42 H GLY 42 -1.770 -9.242 12.290 275 HA2 GLY 42 1HA GLY 42 -2.073 -7.867 14.319 276 HA3 GLY 42 2HA GLY 42 -1.587 -9.282 15.240 277 H ARG 43 H ARG 43 0.090 -8.730 12.300 278 HA ARG 43 HA ARG 43 2.400 -7.728 13.829 279 HB2 ARG 43 1HB ARG 43 2.884 -9.923 13.019 280 HB3 ARG 43 2HB ARG 43 2.266 -9.536 11.418 281 HG2 ARG 43 1HG ARG 43 4.148 -8.372 10.819 282 HG3 ARG 43 2HG ARG 43 4.566 -7.979 12.488 283 HD2 ARG 43 1HD ARG 43 5.177 -10.323 12.876 284 HD3 ARG 43 2HD ARG 43 4.775 -10.699 11.201 285 HE ARG 43 HE ARG 43 6.752 -8.622 11.536 286 HH11 ARG 43 1HH1 ARG 43 6.163 -12.031 11.147 287 HH12 ARG 43 2HH1 ARG 43 7.748 -12.368 10.535 288 HH21 ARG 43 1HH2 ARG 43 8.843 -9.053 10.730 289 HH22 ARG 43 2HH2 ARG 43 9.272 -10.674 10.299 290 H VAL 44 H VAL 44 2.945 -5.703 13.403 291 HA VAL 44 HA VAL 44 2.347 -4.614 10.728 292 HB VAL 44 HB VAL 44 0.975 -3.462 12.300 293 HG11 VAL 44 1HG1 VAL 44 2.135 -4.101 14.343 294 HG12 VAL 44 2HG1 VAL 44 3.467 -3.016 13.941 295 HG13 VAL 44 3HG1 VAL 44 1.869 -2.359 14.296 296 HG21 VAL 44 1HG2 VAL 44 2.289 -2.131 10.585 297 HG22 VAL 44 2HG2 VAL 44 1.625 -1.222 11.942 298 HG23 VAL 44 3HG2 VAL 44 3.338 -1.642 11.915 299 H THR 45 H THR 45 3.891 -3.360 9.709 300 HA THR 45 HA THR 45 6.494 -3.076 11.037 301 HB THR 45 HB THR 45 7.454 -3.612 8.651 302 HG1 THR 45 1HG THR 45 6.194 -4.894 7.421 303 HG21 THR 45 1HG2 THR 45 6.530 -5.618 10.697 304 HG22 THR 45 2HG2 THR 45 8.138 -4.920 10.495 305 HG23 THR 45 3HG2 THR 45 7.521 -6.072 9.311 306 H GLU 46 H GLU 46 7.992 -1.673 9.642 307 HA GLU 46 HA GLU 46 6.488 0.708 8.906 308 HB2 GLU 46 1HB GLU 46 8.561 0.670 10.428 309 HB3 GLU 46 2HB GLU 46 9.486 0.457 8.949 310 HG2 GLU 46 1HG GLU 46 8.314 2.557 8.111 311 HG3 GLU 46 2HG GLU 46 7.817 2.801 9.785 312 H ALA 47 H ALA 47 6.134 1.341 6.881 313 HA ALA 47 HA ALA 47 7.232 -0.235 4.701 314 HB1 ALA 47 1HB ALA 47 5.675 1.412 3.381 315 HB2 ALA 47 2HB ALA 47 4.993 0.079 4.315 316 HB3 ALA 47 3HB ALA 47 4.995 1.712 4.981 317 H GLU 48 H GLU 48 7.998 0.891 2.720 318 HA GLU 48 HA GLU 48 9.768 3.110 3.474 319 HB2 GLU 48 1HB GLU 48 11.011 1.247 2.657 320 HB3 GLU 48 2HB GLU 48 9.932 1.045 1.284 321 HG2 GLU 48 1HG GLU 48 10.767 2.972 0.215 322 HG3 GLU 48 2HG GLU 48 11.605 3.506 1.671 323 H ILE 49 H ILE 49 9.604 5.061 2.542 324 HA ILE 49 HA ILE 49 7.498 5.420 0.528 325 HB ILE 49 HB ILE 49 8.829 7.475 2.297 326 HG12 ILE 49 1HG1 ILE 49 6.015 6.374 2.417 327 HG13 ILE 49 2HG1 ILE 49 7.330 5.833 3.456 328 HG21 ILE 49 1HG2 ILE 49 7.389 9.090 1.410 329 HG22 ILE 49 2HG2 ILE 49 7.960 8.195 0.003 330 HG23 ILE 49 3HG2 ILE 49 6.352 7.880 0.655 331 HD11 ILE 49 1HD1 ILE 49 5.593 7.699 4.188 332 HD12 ILE 49 2HD1 ILE 49 7.273 7.701 4.728 333 HD13 ILE 49 3HD1 ILE 49 6.775 8.735 3.389 334 H VAL 50 H VAL 50 8.078 5.713 -1.511 335 HA VAL 50 HA VAL 50 10.774 6.759 -2.078 336 HB VAL 50 HB VAL 50 9.075 5.172 -3.995 337 HG11 VAL 50 1HG1 VAL 50 12.031 5.766 -3.906 338 HG12 VAL 50 2HG1 VAL 50 11.212 4.787 -5.124 339 HG13 VAL 50 3HG1 VAL 50 10.855 6.509 -4.989 340 HG21 VAL 50 1HG2 VAL 50 9.555 3.891 -1.902 341 HG22 VAL 50 2HG2 VAL 50 10.244 3.183 -3.364 342 HG23 VAL 50 3HG2 VAL 50 11.274 4.079 -2.248 343 HA PRO 51 HA PRO 51 8.715 10.340 -3.699 344 HB2 PRO 51 1HB PRO 51 10.918 11.502 -4.780 345 HB3 PRO 51 2HB PRO 51 10.582 11.509 -3.045 346 HG2 PRO 51 1HG PRO 51 12.407 9.729 -4.615 347 HG3 PRO 51 2HG PRO 51 12.683 10.512 -3.048 348 HD2 PRO 51 1HD PRO 51 11.984 7.905 -3.271 349 HD3 PRO 51 2HD PRO 51 11.487 8.913 -1.896 350 H MET 52 H MET 52 7.438 9.998 -5.421 351 HA MET 52 HA MET 52 8.396 8.734 -7.818 352 HB2 MET 52 1HB MET 52 5.753 10.119 -7.343 353 HB3 MET 52 2HB MET 52 6.129 8.990 -8.637 354 HG2 MET 52 1HG MET 52 6.700 7.415 -6.585 355 HG3 MET 52 2HG MET 52 5.555 8.483 -5.777 356 HE1 MET 52 1HE MET 52 5.785 5.357 -8.314 357 HE2 MET 52 2HE MET 52 4.651 5.977 -9.514 358 HE3 MET 52 3HE MET 52 6.135 6.863 -9.162 359 H GLY 53 H GLY 53 6.756 11.874 -7.352 360 HA2 GLY 53 1HA GLY 53 8.769 13.278 -8.849 361 HA3 GLY 53 2HA GLY 53 7.291 13.028 -9.767 362 H LYS 54 H LYS 54 5.704 14.471 -9.546 363 HA LYS 54 HA LYS 54 6.051 16.851 -8.130 364 HB2 LYS 54 1HB LYS 54 3.788 15.551 -9.557 365 HB3 LYS 54 2HB LYS 54 3.399 16.880 -8.473 366 HG2 LYS 54 1HG LYS 54 3.681 17.973 -10.471 367 HG3 LYS 54 2HG LYS 54 5.288 18.125 -9.758 368 HD2 LYS 54 1HD LYS 54 4.717 15.757 -11.470 369 HD3 LYS 54 2HD LYS 54 4.952 17.321 -12.254 370 HE2 LYS 54 1HE LYS 54 6.904 16.390 -10.194 371 HE3 LYS 54 2HE LYS 54 6.986 15.736 -11.829 372 HZ1 LYS 54 1HZ LYS 54 7.303 18.551 -10.974 373 HZ2 LYS 54 2HZ LYS 54 7.011 18.130 -12.586 374 HZ3 LYS 54 3HZ LYS 54 8.409 17.580 -11.808 375 H ASN 55 H ASN 55 6.566 16.370 -5.977 376 HA ASN 55 HA ASN 55 6.215 15.736 -3.797 377 HB2 ASN 55 1HB ASN 55 3.427 16.788 -4.068 378 HB3 ASN 55 2HB ASN 55 4.605 17.060 -2.787 379 HD21 ASN 55 1HD2 ASN 55 6.018 18.733 -2.939 380 HD22 ASN 55 2HD2 ASN 55 5.972 19.914 -4.199 381 H SER 56 H SER 56 5.560 13.667 -5.712 382 HA SER 56 HA SER 56 3.221 12.363 -4.535 383 HB2 SER 56 1HB SER 56 4.814 11.956 -7.037 384 HB3 SER 56 2HB SER 56 3.878 10.610 -6.387 385 HG SER 56 HG SER 56 2.652 13.115 -6.669 386 H HIS 57 H HIS 57 3.331 10.186 -3.766 387 HA HIS 57 HA HIS 57 6.019 9.351 -2.898 388 HB2 HIS 57 1HB HIS 57 3.523 8.978 -1.244 389 HB3 HIS 57 2HB HIS 57 5.195 8.739 -0.745 390 HD1 HIS 57 1HD HIS 57 6.633 10.938 -0.401 391 HD2 HIS 57 2HD HIS 57 2.557 11.535 -0.938 392 HE1 HIS 57 1HE HIS 57 6.193 13.295 0.358 393 HE2 HIS 57 2HE HIS 57 3.706 13.605 0.104 394 H CYS 58 H CYS 58 6.370 7.108 -2.695 395 HA CYS 58 HA CYS 58 4.283 5.380 -3.833 396 HB2 CYS 58 1HB CYS 58 5.683 5.667 -5.695 397 HB3 CYS 58 2HB CYS 58 7.144 5.652 -4.715 398 HG CYS 58 HG CYS 58 5.198 2.874 -5.126 399 H VAL 59 H VAL 59 3.769 4.007 -2.264 400 HA VAL 59 HA VAL 59 5.728 3.201 -0.281 401 HB VAL 59 HB VAL 59 2.781 2.659 -0.585 402 HG11 VAL 59 1HG1 VAL 59 3.039 1.603 1.727 403 HG12 VAL 59 2HG1 VAL 59 3.548 0.643 0.336 404 HG13 VAL 59 3HG1 VAL 59 4.752 1.458 1.335 405 HG21 VAL 59 1HG2 VAL 59 2.859 3.813 1.718 406 HG22 VAL 59 2HG2 VAL 59 4.475 4.330 1.238 407 HG23 VAL 59 3HG2 VAL 59 3.076 4.804 0.275 408 H ARG 60 H ARG 60 6.955 1.457 -0.473 409 HA ARG 60 HA ARG 60 6.033 -0.726 -2.226 410 HB2 ARG 60 1HB ARG 60 8.697 0.561 -1.887 411 HB3 ARG 60 2HB ARG 60 8.661 -1.168 -2.203 412 HG2 ARG 60 1HG ARG 60 7.174 -0.615 -4.190 413 HG3 ARG 60 2HG ARG 60 7.652 1.064 -3.933 414 HD2 ARG 60 1HD ARG 60 9.268 -1.260 -4.853 415 HD3 ARG 60 2HD ARG 60 9.236 0.398 -5.451 416 HE ARG 60 HE ARG 60 10.285 0.610 -2.946 417 HH11 ARG 60 1HH1 ARG 60 11.082 -1.238 -5.787 418 HH12 ARG 60 2HH1 ARG 60 12.779 -1.281 -5.442 419 HH21 ARG 60 1HH2 ARG 60 12.517 0.560 -2.481 420 HH22 ARG 60 2HH2 ARG 60 13.594 -0.259 -3.560 421 H PHE 61 H PHE 61 5.677 -2.611 -1.266 422 HA PHE 61 HA PHE 61 7.312 -3.524 0.927 423 HB2 PHE 61 1HB PHE 61 5.420 -3.865 2.478 424 HB3 PHE 61 2HB PHE 61 5.701 -2.160 2.145 425 HD1 PHE 61 1HD PHE 61 3.674 -5.006 0.838 426 HD2 PHE 61 2HD PHE 61 3.878 -0.843 1.700 427 HE1 PHE 61 1HE PHE 61 1.319 -4.755 0.168 428 HE2 PHE 61 2HE PHE 61 1.524 -0.585 1.033 429 HZ PHE 61 HZ PHE 61 0.241 -2.543 0.267 430 H VAL 62 H VAL 62 6.620 -5.740 1.651 431 HA VAL 62 HA VAL 62 5.566 -7.225 -0.663 432 HB VAL 62 HB VAL 62 7.346 -8.257 1.549 433 HG11 VAL 62 1HG1 VAL 62 5.733 -9.814 0.241 434 HG12 VAL 62 2HG1 VAL 62 6.881 -9.601 -1.082 435 HG13 VAL 62 3HG1 VAL 62 7.417 -10.291 0.450 436 HG21 VAL 62 1HG2 VAL 62 8.466 -8.180 -1.131 437 HG22 VAL 62 2HG2 VAL 62 8.065 -6.575 -0.521 438 HG23 VAL 62 3HG2 VAL 62 9.149 -7.621 0.395 439 HA PRO 63 HA PRO 63 2.161 -7.881 2.243 440 HB2 PRO 63 1HB PRO 63 0.422 -8.732 0.339 441 HB3 PRO 63 2HB PRO 63 0.756 -7.023 0.639 442 HG2 PRO 63 1HG PRO 63 1.862 -8.824 -1.480 443 HG3 PRO 63 2HG PRO 63 1.294 -7.150 -1.619 444 HD2 PRO 63 1HD PRO 63 3.921 -7.790 -1.458 445 HD3 PRO 63 2HD PRO 63 3.262 -6.282 -0.791 446 H GLN 64 H GLN 64 0.566 -9.845 2.350 447 HA GLN 64 HA GLN 64 2.194 -12.280 2.078 448 HB2 GLN 64 1HB GLN 64 0.014 -11.553 4.032 449 HB3 GLN 64 2HB GLN 64 0.651 -13.184 3.870 450 HG2 GLN 64 1HG GLN 64 2.294 -10.764 4.574 451 HG3 GLN 64 2HG GLN 64 1.644 -11.917 5.738 452 HE21 GLN 64 1HE2 GLN 64 4.042 -11.319 3.330 453 HE22 GLN 64 2HE2 GLN 64 4.979 -12.744 3.602 454 H GLU 65 H GLU 65 0.740 -14.322 1.994 455 HA GLU 65 HA GLU 65 -0.929 -14.032 -0.351 456 HB2 GLU 65 1HB GLU 65 -0.857 -16.392 -0.526 457 HB3 GLU 65 2HB GLU 65 0.745 -15.902 0.006 458 HG2 GLU 65 1HG GLU 65 -1.380 -16.816 1.917 459 HG3 GLU 65 2HG GLU 65 -0.260 -17.927 1.132 460 H MET 66 H MET 66 -3.107 -14.367 -0.488 461 HA MET 66 HA MET 66 -5.249 -14.065 0.299 462 HB2 MET 66 1HB MET 66 -4.379 -16.543 1.798 463 HB3 MET 66 2HB MET 66 -6.048 -16.046 1.552 464 HG2 MET 66 1HG MET 66 -5.763 -17.612 -0.101 465 HG3 MET 66 2HG MET 66 -5.438 -16.109 -0.961 466 HE1 MET 66 1HE MET 66 -3.304 -17.113 -3.026 467 HE2 MET 66 2HE MET 66 -3.863 -15.647 -2.222 468 HE3 MET 66 3HE MET 66 -2.156 -16.089 -2.162 469 H GLY 67 H GLY 67 -3.735 -12.271 1.625 470 HA2 GLY 67 1HA GLY 67 -4.938 -12.331 4.310 471 HA3 GLY 67 2HA GLY 67 -3.224 -11.985 4.143 472 H VAL 68 H VAL 68 -5.980 -10.518 4.787 473 HA VAL 68 HA VAL 68 -5.670 -8.211 3.037 474 HB VAL 68 HB VAL 68 -7.652 -8.698 5.265 475 HG11 VAL 68 1HG1 VAL 68 -7.033 -6.285 4.552 476 HG12 VAL 68 2HG1 VAL 68 -7.959 -6.660 3.097 477 HG13 VAL 68 3HG1 VAL 68 -8.733 -6.735 4.681 478 HG21 VAL 68 1HG2 VAL 68 -7.522 -9.667 2.567 479 HG22 VAL 68 2HG2 VAL 68 -8.713 -10.013 3.821 480 HG23 VAL 68 3HG2 VAL 68 -8.924 -8.616 2.766 481 H HIS 69 H HIS 69 -4.189 -6.743 3.543 482 HA HIS 69 HA HIS 69 -3.521 -6.289 6.362 483 HB2 HIS 69 1HB HIS 69 -2.043 -5.241 3.947 484 HB3 HIS 69 2HB HIS 69 -1.465 -5.324 5.609 485 HD1 HIS 69 1HD HIS 69 -2.840 -7.932 3.187 486 HD2 HIS 69 2HD HIS 69 0.342 -7.311 5.785 487 HE1 HIS 69 1HE HIS 69 -1.452 -10.026 3.063 488 HE2 HIS 69 2HE HIS 69 0.421 -9.661 4.707 489 H THR 70 H THR 70 -2.730 -3.865 6.663 490 HA THR 70 HA THR 70 -4.661 -2.036 5.425 491 HB THR 70 HB THR 70 -4.148 -2.010 8.398 492 HG1 THR 70 1HG THR 70 -6.167 -3.044 8.594 493 HG21 THR 70 1HG2 THR 70 -6.504 -0.839 6.963 494 HG22 THR 70 2HG2 THR 70 -4.978 0.042 7.044 495 HG23 THR 70 3HG2 THR 70 -5.822 -0.401 8.528 496 H VAL 71 H VAL 71 -3.882 -0.035 5.010 497 HA VAL 71 HA VAL 71 -1.102 0.495 5.816 498 HB VAL 71 HB VAL 71 -2.639 1.744 3.535 499 HG11 VAL 71 1HG1 VAL 71 -0.938 3.234 4.159 500 HG12 VAL 71 2HG1 VAL 71 0.211 1.930 4.464 501 HG13 VAL 71 3HG1 VAL 71 -0.262 2.321 2.810 502 HG21 VAL 71 1HG2 VAL 71 -1.656 0.239 2.058 503 HG22 VAL 71 2HG2 VAL 71 -0.432 -0.260 3.225 504 HG23 VAL 71 3HG2 VAL 71 -2.105 -0.779 3.426 505 H SER 72 H SER 72 -0.991 1.790 7.529 506 HA SER 72 HA SER 72 -2.991 3.912 7.855 507 HB2 SER 72 1HB SER 72 -0.940 3.009 9.883 508 HB3 SER 72 2HB SER 72 -2.384 3.980 10.171 509 HG SER 72 HG SER 72 -2.636 1.753 10.748 510 H VAL 73 H VAL 73 -2.415 5.764 6.924 511 HA VAL 73 HA VAL 73 0.380 6.661 7.212 512 HB VAL 73 HB VAL 73 -1.570 7.320 4.999 513 HG11 VAL 73 1HG1 VAL 73 -0.367 9.199 4.827 514 HG12 VAL 73 2HG1 VAL 73 0.903 8.593 5.892 515 HG13 VAL 73 3HG1 VAL 73 0.904 8.160 4.181 516 HG21 VAL 73 1HG2 VAL 73 -0.625 5.717 3.750 517 HG22 VAL 73 2HG2 VAL 73 0.998 6.086 4.332 518 HG23 VAL 73 3HG2 VAL 73 -0.067 5.055 5.286 519 H LYS 74 H LYS 74 0.263 7.928 8.998 520 HA LYS 74 HA LYS 74 -1.829 9.983 9.120 521 HB2 LYS 74 1HB LYS 74 -0.130 8.614 11.151 522 HB3 LYS 74 2HB LYS 74 -0.649 10.260 11.487 523 HG2 LYS 74 1HG LYS 74 -3.005 9.279 10.812 524 HG3 LYS 74 2HG LYS 74 -2.243 7.765 11.304 525 HD2 LYS 74 1HD LYS 74 -2.368 10.258 12.999 526 HD3 LYS 74 2HD LYS 74 -3.473 8.889 13.141 527 HE2 LYS 74 1HE LYS 74 -1.319 7.487 13.425 528 HE3 LYS 74 2HE LYS 74 -0.547 9.033 13.772 529 HZ1 LYS 74 1HZ LYS 74 -2.197 9.378 15.539 530 HZ2 LYS 74 2HZ LYS 74 -1.249 8.004 15.808 531 HZ3 LYS 74 3HZ LYS 74 -2.835 7.840 15.240 532 H TYR 75 H TYR 75 -1.241 12.164 9.718 533 HA TYR 75 HA TYR 75 1.535 12.890 9.086 534 HB2 TYR 75 1HB TYR 75 0.465 13.383 7.050 535 HB3 TYR 75 2HB TYR 75 -0.981 13.986 7.853 536 HD1 TYR 75 1HD TYR 75 2.670 14.754 7.604 537 HD2 TYR 75 2HD TYR 75 -1.289 16.272 7.961 538 HE1 TYR 75 1HE TYR 75 3.540 17.048 7.433 539 HE2 TYR 75 2HE TYR 75 -0.429 18.570 7.790 540 HH TYR 75 HH TYR 75 1.842 19.606 6.658 541 H ARG 76 H ARG 76 2.254 13.665 10.968 542 HA ARG 76 HA ARG 76 2.490 15.006 12.790 543 HB2 ARG 76 1HB ARG 76 0.679 16.585 11.036 544 HB3 ARG 76 2HB ARG 76 0.819 17.089 12.715 545 HG2 ARG 76 1HG ARG 76 3.381 16.940 12.248 546 HG3 ARG 76 2HG ARG 76 2.878 17.075 10.562 547 HD2 ARG 76 1HD ARG 76 3.367 19.271 11.427 548 HD3 ARG 76 2HD ARG 76 1.634 19.130 11.136 549 HE ARG 76 HE ARG 76 2.357 18.492 13.829 550 HH11 ARG 76 1HH1 ARG 76 1.669 21.098 11.626 551 HH12 ARG 76 2HH1 ARG 76 1.170 22.194 12.872 552 HH21 ARG 76 1HH2 ARG 76 1.703 19.925 15.479 553 HH22 ARG 76 2HH2 ARG 76 1.190 21.525 15.064 554 H GLY 77 H GLY 77 0.492 12.812 12.692 555 HA2 GLY 77 1HA GLY 77 -0.737 11.893 14.460 556 HA3 GLY 77 2HA GLY 77 -0.850 13.491 15.184 557 H GLN 78 H GLN 78 -1.719 12.576 11.883 558 HA GLN 78 HA GLN 78 -4.547 12.638 12.492 559 HB2 GLN 78 1HB GLN 78 -5.129 14.595 11.467 560 HB3 GLN 78 2HB GLN 78 -3.532 15.054 12.044 561 HG2 GLN 78 1HG GLN 78 -2.615 14.441 9.822 562 HG3 GLN 78 2HG GLN 78 -4.264 14.154 9.268 563 HE21 GLN 78 1HE2 GLN 78 -4.649 15.746 7.882 564 HE22 GLN 78 2HE2 GLN 78 -4.465 17.432 8.215 565 H HIS 79 H HIS 79 -5.542 11.183 11.266 566 HA HIS 79 HA HIS 79 -4.156 9.778 9.218 567 HB2 HIS 79 1HB HIS 79 -6.908 9.675 10.382 568 HB3 HIS 79 2HB HIS 79 -6.604 8.854 8.854 569 HD1 HIS 79 1HD HIS 79 -4.277 7.249 9.066 570 HD2 HIS 79 2HD HIS 79 -6.525 8.024 12.474 571 HE1 HIS 79 1HE HIS 79 -3.661 5.442 10.704 572 HE2 HIS 79 2HE HIS 79 -5.097 5.882 12.726 573 H VAL 80 H VAL 80 -4.046 10.165 7.105 574 HA VAL 80 HA VAL 80 -5.211 12.506 5.979 575 HB VAL 80 HB VAL 80 -4.157 11.876 3.913 576 HG11 VAL 80 1HG1 VAL 80 -2.119 12.361 4.679 577 HG12 VAL 80 2HG1 VAL 80 -2.813 12.246 6.297 578 HG13 VAL 80 3HG1 VAL 80 -2.011 10.849 5.579 579 HG21 VAL 80 1HG2 VAL 80 -4.868 9.444 4.122 580 HG22 VAL 80 2HG2 VAL 80 -3.276 9.746 3.425 581 HG23 VAL 80 3HG2 VAL 80 -3.419 9.214 5.100 582 H THR 81 H THR 81 -6.450 12.435 3.892 583 HA THR 81 HA THR 81 -8.922 11.174 4.267 584 HB THR 81 HB THR 81 -7.756 12.307 1.716 585 HG1 THR 81 1HG THR 81 -9.397 14.012 2.497 586 HG21 THR 81 1HG2 THR 81 -10.607 12.490 1.897 587 HG22 THR 81 2HG2 THR 81 -10.117 10.808 2.106 588 HG23 THR 81 3HG2 THR 81 -9.623 11.699 0.666 589 H GLY 82 H GLY 82 -9.627 9.184 3.837 590 HA2 GLY 82 1HA GLY 82 -9.877 7.263 2.470 591 HA3 GLY 82 2HA GLY 82 -8.325 7.621 1.728 592 H SER 83 H SER 83 -6.811 7.965 4.089 593 HA SER 83 HA SER 83 -6.245 5.228 4.683 594 HB2 SER 83 1HB SER 83 -4.353 6.025 5.851 595 HB3 SER 83 2HB SER 83 -4.575 7.176 4.533 596 HG SER 83 HG SER 83 -4.726 7.563 7.229 597 HA PRO 84 HA PRO 84 -5.016 4.239 6.421 598 HB2 PRO 84 1HB PRO 84 -5.797 1.832 7.405 599 HB3 PRO 84 2HB PRO 84 -5.052 3.083 8.407 600 HG2 PRO 84 1HG PRO 84 -7.945 2.379 8.095 601 HG3 PRO 84 2HG PRO 84 -7.039 2.761 9.571 602 HD2 PRO 84 1HD PRO 84 -8.628 4.568 8.329 603 HD3 PRO 84 2HD PRO 84 -7.157 5.034 9.206 604 H PHE 85 H PHE 85 -4.703 3.226 4.525 605 HA PHE 85 HA PHE 85 -7.034 2.489 2.955 606 HB2 PHE 85 1HB PHE 85 -4.112 2.529 2.169 607 HB3 PHE 85 2HB PHE 85 -5.480 2.348 1.076 608 HD1 PHE 85 2HD PHE 85 -6.983 4.249 0.649 609 HD2 PHE 85 1HD PHE 85 -3.457 4.658 2.997 610 HE1 PHE 85 2HE PHE 85 -7.097 6.693 0.387 611 HE2 PHE 85 1HE PHE 85 -3.566 7.103 2.740 612 HZ PHE 85 HZ PHE 85 -5.387 8.123 1.433 613 H GLN 86 H GLN 86 -7.800 0.492 3.024 614 HA GLN 86 HA GLN 86 -6.009 -1.710 3.749 615 HB2 GLN 86 1HB GLN 86 -8.328 -1.189 4.854 616 HB3 GLN 86 2HB GLN 86 -8.972 -2.013 3.440 617 HG2 GLN 86 1HG GLN 86 -7.317 -3.892 4.076 618 HG3 GLN 86 2HG GLN 86 -7.283 -3.099 5.650 619 HE21 GLN 86 1HE2 GLN 86 -8.733 -3.742 7.068 620 HE22 GLN 86 2HE2 GLN 86 -10.216 -4.552 6.712 621 H PHE 87 H PHE 87 -5.648 -3.452 2.445 622 HA PHE 87 HA PHE 87 -7.045 -3.617 -0.116 623 HB2 PHE 87 1HB PHE 87 -4.981 -3.770 -1.390 624 HB3 PHE 87 2HB PHE 87 -5.020 -2.245 -0.511 625 HD1 PHE 87 2HD PHE 87 -3.483 -5.574 -0.687 626 HD2 PHE 87 1HD PHE 87 -3.443 -1.767 1.216 627 HE1 PHE 87 2HE PHE 87 -1.295 -6.098 0.307 628 HE2 PHE 87 1HE PHE 87 -1.254 -2.285 2.213 629 HZ PHE 87 HZ PHE 87 -0.177 -4.453 1.760 630 H THR 88 H THR 88 -7.276 -5.667 -0.886 631 HA THR 88 HA THR 88 -6.383 -7.813 0.893 632 HB THR 88 HB THR 88 -8.356 -8.015 -1.386 633 HG1 THR 88 1HG THR 88 -8.653 -7.183 1.282 634 HG21 THR 88 1HG2 THR 88 -7.125 -9.943 0.294 635 HG22 THR 88 2HG2 THR 88 -8.388 -10.191 -0.912 636 HG23 THR 88 3HG2 THR 88 -8.822 -9.830 0.759 637 H VAL 89 H VAL 89 -4.812 -9.176 0.345 638 HA VAL 89 HA VAL 89 -3.610 -8.962 -2.294 639 HB VAL 89 HB VAL 89 -2.680 -10.697 -0.010 640 HG11 VAL 89 1HG1 VAL 89 -0.483 -10.424 -1.129 641 HG12 VAL 89 2HG1 VAL 89 -1.676 -11.262 -2.124 642 HG13 VAL 89 3HG1 VAL 89 -1.296 -9.568 -2.439 643 HG21 VAL 89 1HG2 VAL 89 -1.446 -8.046 -0.533 644 HG22 VAL 89 2HG2 VAL 89 -2.973 -8.089 0.347 645 HG23 VAL 89 3HG2 VAL 89 -1.572 -8.958 0.971 646 H GLY 90 H GLY 90 -3.583 -10.532 -3.828 647 HA2 GLY 90 1HA GLY 90 -5.166 -12.957 -3.240 648 HA3 GLY 90 2HA GLY 90 -5.127 -12.165 -4.809 649 HA PRO 91 HA PRO 91 -2.189 -15.700 -5.047 650 HB2 PRO 91 1HB PRO 91 -2.860 -16.364 -7.592 651 HB3 PRO 91 2HB PRO 91 -3.751 -16.946 -6.181 652 HG2 PRO 91 1HG PRO 91 -4.403 -14.686 -8.032 653 HG3 PRO 91 2HG PRO 91 -5.477 -15.925 -7.357 654 HD2 PRO 91 1HD PRO 91 -5.333 -13.415 -6.350 655 HD3 PRO 91 2HD PRO 91 -5.673 -14.833 -5.337 656 H LEU 92 H LEU 92 -0.178 -15.686 -5.952 657 HA LEU 92 HA LEU 92 1.006 -13.369 -6.813 658 HB2 LEU 92 1HB LEU 92 2.878 -14.666 -7.481 659 HB3 LEU 92 2HB LEU 92 2.157 -15.455 -6.079 660 HG LEU 92 HG LEU 92 0.951 -16.871 -7.979 661 HD11 LEU 92 1HD1 LEU 92 2.508 -17.310 -9.822 662 HD12 LEU 92 2HD1 LEU 92 3.546 -16.005 -9.248 663 HD13 LEU 92 3HD1 LEU 92 1.922 -15.646 -9.836 664 HD21 LEU 92 1HD2 LEU 92 2.795 -17.378 -6.102 665 HD22 LEU 92 2HD2 LEU 92 3.761 -17.678 -7.547 666 HD23 LEU 92 3HD2 LEU 92 2.265 -18.576 -7.283 667 H GLY 93 H GLY 93 -0.829 -15.667 -8.679 668 HA2 GLY 93 1HA GLY 93 -1.856 -14.500 -10.682 669 HA3 GLY 93 2HA GLY 93 -0.194 -14.154 -11.133 670 H GLU 94 H GLU 94 -2.750 -16.379 -11.317 671 HA GLU 94 HA GLU 94 -0.980 -18.302 -12.671 672 HB2 GLU 94 1HB GLU 94 -1.620 -19.326 -10.597 673 HB3 GLU 94 2HB GLU 94 -3.305 -18.886 -10.837 674 HG2 GLU 94 1HG GLU 94 -3.661 -20.538 -12.391 675 HG3 GLU 94 2HG GLU 94 -1.958 -20.633 -12.838 676 H GLY 95 H GLY 95 -1.433 -17.564 -14.725 677 HA2 GLY 95 1HA GLY 95 -4.256 -17.791 -15.572 678 HA3 GLY 95 2HA GLY 95 -3.116 -16.660 -16.284 679 H GLY 96 H GLY 96 -3.613 -20.148 -15.770 680 HA2 GLY 96 1HA GLY 96 -3.460 -20.902 -18.423 681 HA3 GLY 96 2HA GLY 96 -1.804 -20.918 -17.834 682 H SER 97 H SER 97 -4.009 -22.987 -18.603 683 HA SER 97 HA SER 97 -3.567 -24.722 -16.261 684 HB2 SER 97 1HB SER 97 -5.696 -25.845 -16.816 685 HB3 SER 97 2HB SER 97 -5.935 -24.132 -16.470 686 HG SER 97 HG SER 97 -6.670 -25.432 -18.623 687 H GLY 98 H GLY 98 -2.652 -26.666 -16.605 688 HA2 GLY 98 1HA GLY 98 -2.131 -28.612 -17.835 689 HA3 GLY 98 2HA GLY 98 -2.588 -27.774 -19.310 690 HA PRO 99 HA PRO 99 1.803 -26.073 -18.300 691 HB2 PRO 99 1HB PRO 99 3.049 -27.037 -16.089 692 HB3 PRO 99 2HB PRO 99 2.005 -25.611 -16.058 693 HG2 PRO 99 1HG PRO 99 1.379 -28.435 -15.287 694 HG3 PRO 99 2HG PRO 99 0.942 -26.927 -14.463 695 HD2 PRO 99 1HD PRO 99 -0.796 -28.285 -16.032 696 HD3 PRO 99 2HD PRO 99 -0.827 -26.516 -15.881 697 H SER 100 H SER 100 1.572 -29.368 -16.943 698 HA SER 100 HA SER 100 3.682 -30.204 -18.817 699 HB2 SER 100 1HB SER 100 2.838 -31.235 -16.119 700 HB3 SER 100 2HB SER 100 3.768 -32.245 -17.225 701 HG SER 100 HG SER 100 5.170 -31.122 -15.872 702 H SER 101 H SER 101 3.463 -32.209 -19.922 703 HA SER 101 HA SER 101 2.358 -33.736 -21.197 704 HB2 SER 101 1HB SER 101 1.724 -34.598 -18.917 705 HB3 SER 101 2HB SER 101 0.225 -33.679 -19.052 706 HG SER 101 HG SER 101 0.803 -36.085 -20.058 707 H GLY 102 H GLY 102 2.001 -31.070 -21.887 708 HA2 GLY 102 1HA GLY 102 0.646 -29.657 -23.094 709 HA3 GLY 102 2HA GLY 102 -0.047 -31.143 -23.726 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -20.047 0.740 10.430 2 HA2 GLY 1 1HA GLY 1 -17.942 -1.095 10.919 3 HA3 GLY 1 2HA GLY 1 -19.493 -1.895 11.122 4 H SER 2 H SER 2 -17.966 -2.927 9.234 5 HA SER 2 HA SER 2 -19.034 -1.842 6.710 6 HB2 SER 2 1HB SER 2 -16.451 -3.346 7.186 7 HB3 SER 2 2HB SER 2 -17.069 -2.893 5.598 8 HG SER 2 HG SER 2 -15.607 -1.339 6.299 9 H SER 3 H SER 3 -19.170 -3.578 4.965 10 HA SER 3 HA SER 3 -20.390 -5.979 6.153 11 HB2 SER 3 1HB SER 3 -21.647 -6.130 3.982 12 HB3 SER 3 2HB SER 3 -22.014 -4.688 4.929 13 HG SER 3 HG SER 3 -20.545 -4.934 2.549 14 H GLY 4 H GLY 4 -18.723 -4.986 3.154 15 HA2 GLY 4 1HA GLY 4 -16.844 -6.005 2.197 16 HA3 GLY 4 2HA GLY 4 -16.997 -7.321 3.352 17 H SER 5 H SER 5 -16.849 -6.974 0.261 18 HA SER 5 HA SER 5 -19.249 -8.045 -0.783 19 HB2 SER 5 1HB SER 5 -16.464 -8.261 -1.950 20 HB3 SER 5 2HB SER 5 -17.987 -8.429 -2.823 21 HG SER 5 HG SER 5 -16.719 -6.139 -1.866 22 H SER 6 H SER 6 -19.075 -10.206 -2.104 23 HA SER 6 HA SER 6 -18.019 -12.275 -0.289 24 HB2 SER 6 1HB SER 6 -19.940 -13.695 -1.080 25 HB3 SER 6 2HB SER 6 -20.419 -12.293 -0.125 26 HG SER 6 HG SER 6 -21.222 -12.934 -2.547 27 H GLY 7 H GLY 7 -18.067 -14.503 -1.569 28 HA2 GLY 7 1HA GLY 7 -16.920 -15.744 -3.127 29 HA3 GLY 7 2HA GLY 7 -17.687 -14.678 -4.295 30 H ARG 8 H ARG 8 -16.108 -14.243 -5.716 31 HA ARG 8 HA ARG 8 -13.376 -13.999 -5.089 32 HB2 ARG 8 1HB ARG 8 -13.104 -13.141 -7.346 33 HB3 ARG 8 2HB ARG 8 -14.221 -14.499 -7.351 34 HG2 ARG 8 1HG ARG 8 -16.043 -13.178 -7.828 35 HG3 ARG 8 2HG ARG 8 -15.291 -11.723 -7.169 36 HD2 ARG 8 1HD ARG 8 -15.188 -11.334 -9.444 37 HD3 ARG 8 2HD ARG 8 -13.601 -12.028 -9.115 38 HE ARG 8 HE ARG 8 -14.153 -13.783 -10.462 39 HH11 ARG 8 1HH1 ARG 8 -17.081 -12.194 -9.450 40 HH12 ARG 8 2HH1 ARG 8 -18.107 -13.161 -10.457 41 HH21 ARG 8 1HH2 ARG 8 -15.494 -15.063 -11.791 42 HH22 ARG 8 2HH2 ARG 8 -17.204 -14.793 -11.787 43 H ALA 9 H ALA 9 -12.315 -11.782 -6.079 44 HA ALA 9 HA ALA 9 -13.604 -9.381 -5.203 45 HB1 ALA 9 1HB ALA 9 -11.143 -9.700 -3.648 46 HB2 ALA 9 2HB ALA 9 -12.706 -9.029 -3.179 47 HB3 ALA 9 3HB ALA 9 -12.455 -10.775 -3.165 48 HA PRO 10 HA PRO 10 -10.764 -7.633 -8.060 49 HB2 PRO 10 1HB PRO 10 -10.617 -5.084 -7.136 50 HB3 PRO 10 2HB PRO 10 -12.040 -5.725 -7.967 51 HG2 PRO 10 1HG PRO 10 -11.552 -5.385 -5.033 52 HG3 PRO 10 2HG PRO 10 -13.013 -5.029 -5.973 53 HD2 PRO 10 1HD PRO 10 -12.746 -7.279 -4.490 54 HD3 PRO 10 2HD PRO 10 -13.687 -7.233 -5.995 55 H SER 11 H SER 11 -8.849 -8.757 -7.589 56 HA SER 11 HA SER 11 -7.179 -8.225 -5.382 57 HB2 SER 11 1HB SER 11 -5.409 -9.357 -6.801 58 HB3 SER 11 2HB SER 11 -6.883 -10.290 -6.548 59 HG SER 11 HG SER 11 -6.697 -8.630 -8.797 60 H VAL 12 H VAL 12 -6.704 -6.096 -5.072 61 HA VAL 12 HA VAL 12 -5.770 -4.429 -7.235 62 HB VAL 12 HB VAL 12 -5.517 -2.685 -5.533 63 HG11 VAL 12 1HG1 VAL 12 -7.781 -3.462 -6.565 64 HG12 VAL 12 2HG1 VAL 12 -8.135 -3.982 -4.917 65 HG13 VAL 12 3HG1 VAL 12 -7.770 -2.289 -5.250 66 HG21 VAL 12 1HG2 VAL 12 -4.751 -3.800 -3.620 67 HG22 VAL 12 2HG2 VAL 12 -6.380 -3.273 -3.197 68 HG23 VAL 12 3HG2 VAL 12 -6.086 -4.952 -3.649 69 H ALA 13 H ALA 13 -4.379 -6.423 -4.776 70 HA ALA 13 HA ALA 13 -1.699 -5.575 -5.650 71 HB1 ALA 13 1HB ALA 13 -1.247 -4.850 -3.602 72 HB2 ALA 13 2HB ALA 13 -2.809 -5.414 -3.006 73 HB3 ALA 13 3HB ALA 13 -1.425 -6.507 -3.024 74 H THR 14 H THR 14 -0.052 -7.208 -5.482 75 HA THR 14 HA THR 14 -1.164 -9.919 -5.731 76 HB THR 14 HB THR 14 1.477 -8.858 -6.755 77 HG1 THR 14 1HG THR 14 -0.754 -9.644 -8.318 78 HG21 THR 14 1HG2 THR 14 1.455 -10.997 -8.069 79 HG22 THR 14 2HG2 THR 14 0.104 -11.526 -7.066 80 HG23 THR 14 3HG2 THR 14 1.674 -11.204 -6.332 81 H VAL 15 H VAL 15 0.125 -11.712 -4.921 82 HA VAL 15 HA VAL 15 1.188 -11.122 -2.296 83 HB VAL 15 HB VAL 15 -0.282 -13.037 -2.523 84 HG11 VAL 15 1HG1 VAL 15 1.068 -13.462 -4.923 85 HG12 VAL 15 2HG1 VAL 15 1.497 -14.839 -3.906 86 HG13 VAL 15 3HG1 VAL 15 -0.199 -14.469 -4.222 87 HG21 VAL 15 1HG2 VAL 15 1.625 -14.834 -1.852 88 HG22 VAL 15 2HG2 VAL 15 2.507 -13.323 -1.627 89 HG23 VAL 15 3HG2 VAL 15 0.999 -13.602 -0.756 90 H GLY 16 H GLY 16 3.277 -11.173 -1.678 91 HA2 GLY 16 1HA GLY 16 5.557 -11.564 -1.769 92 HA3 GLY 16 2HA GLY 16 5.301 -12.510 -3.228 93 H SER 17 H SER 17 4.064 -10.606 -4.840 94 HA SER 17 HA SER 17 6.319 -9.195 -5.811 95 HB2 SER 17 1HB SER 17 3.416 -9.302 -6.535 96 HB3 SER 17 2HB SER 17 4.424 -8.029 -7.222 97 HG SER 17 HG SER 17 5.327 -10.681 -7.309 98 H ILE 18 H ILE 18 6.888 -7.067 -5.688 99 HA ILE 18 HA ILE 18 6.275 -5.611 -3.400 100 HB ILE 18 HB ILE 18 7.308 -4.547 -6.032 101 HG12 ILE 18 1HG1 ILE 18 8.560 -6.439 -4.753 102 HG13 ILE 18 2HG1 ILE 18 9.468 -5.039 -5.312 103 HG21 ILE 18 1HG2 ILE 18 6.782 -2.607 -4.957 104 HG22 ILE 18 2HG2 ILE 18 6.930 -3.325 -3.354 105 HG23 ILE 18 3HG2 ILE 18 8.378 -2.894 -4.264 106 HD11 ILE 18 1HD1 ILE 18 9.811 -4.251 -3.203 107 HD12 ILE 18 2HD1 ILE 18 8.337 -4.983 -2.568 108 HD13 ILE 18 3HD1 ILE 18 9.755 -5.984 -2.882 109 H CYS 19 H CYS 19 4.722 -4.205 -2.848 110 HA CYS 19 HA CYS 19 2.636 -3.644 -4.833 111 HB2 CYS 19 1HB CYS 19 1.929 -4.763 -2.751 112 HB3 CYS 19 2HB CYS 19 2.548 -3.406 -1.819 113 HG CYS 19 HG CYS 19 0.486 -1.867 -2.042 114 H ASP 20 H ASP 20 2.582 -1.707 -5.738 115 HA ASP 20 HA ASP 20 3.929 0.527 -4.390 116 HB2 ASP 20 1HB ASP 20 3.006 0.601 -7.245 117 HB3 ASP 20 2HB ASP 20 4.327 1.483 -6.483 118 H LEU 21 H LEU 21 2.733 2.029 -3.443 119 HA LEU 21 HA LEU 21 -0.127 2.153 -4.022 120 HB2 LEU 21 1HB LEU 21 1.053 2.078 -1.672 121 HB3 LEU 21 2HB LEU 21 1.187 3.816 -1.927 122 HG LEU 21 HG LEU 21 -1.241 3.989 -2.093 123 HD11 LEU 21 1HD1 LEU 21 -2.455 2.222 -2.648 124 HD12 LEU 21 2HD1 LEU 21 -2.096 1.509 -1.076 125 HD13 LEU 21 3HD1 LEU 21 -1.058 1.161 -2.459 126 HD21 LEU 21 1HD2 LEU 21 0.101 2.862 0.291 127 HD22 LEU 21 2HD2 LEU 21 -1.662 2.915 0.315 128 HD23 LEU 21 3HD2 LEU 21 -0.737 4.399 0.079 129 H ASN 22 H ASN 22 -1.144 3.899 -4.876 130 HA ASN 22 HA ASN 22 0.564 5.950 -6.055 131 HB2 ASN 22 1HB ASN 22 -2.166 4.890 -6.608 132 HB3 ASN 22 2HB ASN 22 -1.831 6.560 -7.057 133 HD21 ASN 22 1HD2 ASN 22 -0.622 3.262 -7.407 134 HD22 ASN 22 2HD2 ASN 22 0.056 3.489 -8.980 135 H LEU 23 H LEU 23 1.000 7.535 -4.632 136 HA LEU 23 HA LEU 23 -1.296 8.891 -3.388 137 HB2 LEU 23 1HB LEU 23 1.323 8.104 -2.167 138 HB3 LEU 23 2HB LEU 23 0.413 9.477 -1.540 139 HG LEU 23 HG LEU 23 -0.576 6.628 -1.672 140 HD11 LEU 23 1HD1 LEU 23 0.804 8.220 0.414 141 HD12 LEU 23 2HD1 LEU 23 0.875 6.492 0.071 142 HD13 LEU 23 3HD1 LEU 23 -0.514 7.165 0.925 143 HD21 LEU 23 1HD2 LEU 23 -1.808 9.151 -0.578 144 HD22 LEU 23 2HD2 LEU 23 -2.398 7.527 -0.223 145 HD23 LEU 23 3HD2 LEU 23 -2.423 8.134 -1.880 146 H LYS 24 H LYS 24 -1.440 10.969 -3.903 147 HA LYS 24 HA LYS 24 1.003 12.427 -4.642 148 HB2 LYS 24 1HB LYS 24 -0.383 13.606 -6.399 149 HB3 LYS 24 2HB LYS 24 0.021 11.930 -6.745 150 HG2 LYS 24 1HG LYS 24 -2.154 11.197 -6.345 151 HG3 LYS 24 2HG LYS 24 -2.585 12.664 -5.463 152 HD2 LYS 24 1HD LYS 24 -1.885 12.647 -8.393 153 HD3 LYS 24 2HD LYS 24 -3.535 12.462 -7.794 154 HE2 LYS 24 1HE LYS 24 -2.902 14.646 -6.444 155 HE3 LYS 24 2HE LYS 24 -1.747 14.840 -7.761 156 HZ1 LYS 24 1HZ LYS 24 -4.003 15.901 -8.061 157 HZ2 LYS 24 2HZ LYS 24 -4.621 14.338 -8.252 158 HZ3 LYS 24 3HZ LYS 24 -3.462 14.926 -9.334 159 H ILE 25 H ILE 25 0.851 13.241 -2.458 160 HA ILE 25 HA ILE 25 -1.305 15.213 -2.084 161 HB ILE 25 HB ILE 25 0.481 14.200 0.113 162 HG12 ILE 25 1HG1 ILE 25 -2.216 13.064 -0.650 163 HG13 ILE 25 2HG1 ILE 25 -0.678 12.289 -1.017 164 HG21 ILE 25 1HG2 ILE 25 -1.186 16.287 0.114 165 HG22 ILE 25 2HG2 ILE 25 -2.329 15.016 0.541 166 HG23 ILE 25 3HG2 ILE 25 -0.903 15.290 1.540 167 HD11 ILE 25 1HD1 ILE 25 -0.270 12.426 1.524 168 HD12 ILE 25 2HD1 ILE 25 -2.014 12.675 1.624 169 HD13 ILE 25 3HD1 ILE 25 -1.373 11.203 0.895 170 HA PRO 26 HA PRO 26 2.252 17.926 -2.899 171 HB2 PRO 26 1HB PRO 26 0.724 20.045 -3.638 172 HB3 PRO 26 2HB PRO 26 1.134 18.725 -4.740 173 HG2 PRO 26 1HG PRO 26 -1.380 19.178 -3.179 174 HG3 PRO 26 2HG PRO 26 -1.187 18.648 -4.860 175 HD2 PRO 26 1HD PRO 26 -1.721 16.924 -2.842 176 HD3 PRO 26 2HD PRO 26 -0.748 16.467 -4.255 177 H GLU 27 H GLU 27 -0.390 18.078 -0.718 178 HA GLU 27 HA GLU 27 0.503 20.523 0.569 179 HB2 GLU 27 1HB GLU 27 -1.830 20.333 0.592 180 HB3 GLU 27 2HB GLU 27 -1.781 18.625 1.003 181 HG2 GLU 27 1HG GLU 27 -1.466 19.023 3.229 182 HG3 GLU 27 2HG GLU 27 -0.686 20.580 2.954 183 H ILE 28 H ILE 28 1.012 17.143 0.830 184 HA ILE 28 HA ILE 28 2.417 17.555 3.388 185 HB ILE 28 HB ILE 28 1.052 15.016 2.484 186 HG12 ILE 28 1HG1 ILE 28 0.306 16.891 4.738 187 HG13 ILE 28 2HG1 ILE 28 -0.497 16.853 3.172 188 HG21 ILE 28 1HG2 ILE 28 2.309 15.627 5.151 189 HG22 ILE 28 2HG2 ILE 28 1.672 14.083 4.586 190 HG23 ILE 28 3HG2 ILE 28 3.130 14.754 3.857 191 HD11 ILE 28 1HD1 ILE 28 -1.717 15.072 3.722 192 HD12 ILE 28 2HD1 ILE 28 -0.351 14.250 4.476 193 HD13 ILE 28 3HD1 ILE 28 -1.262 15.457 5.382 194 H ASN 29 H ASN 29 4.400 16.520 3.661 195 HA ASN 29 HA ASN 29 5.636 15.594 1.158 196 HB2 ASN 29 1HB ASN 29 6.894 16.773 3.645 197 HB3 ASN 29 2HB ASN 29 7.796 16.184 2.251 198 HD21 ASN 29 1HD2 ASN 29 7.472 18.879 3.513 199 HD22 ASN 29 2HD2 ASN 29 7.027 19.920 2.208 200 H SER 30 H SER 30 7.235 13.875 1.308 201 HA SER 30 HA SER 30 6.260 11.642 2.741 202 HB2 SER 30 1HB SER 30 8.853 12.071 1.242 203 HB3 SER 30 2HB SER 30 8.346 10.516 1.902 204 HG SER 30 HG SER 30 6.303 11.145 0.590 205 H SER 31 H SER 31 8.717 14.017 3.408 206 HA SER 31 HA SER 31 10.147 12.623 5.393 207 HB2 SER 31 1HB SER 31 11.150 14.584 4.491 208 HB3 SER 31 2HB SER 31 9.739 15.570 4.875 209 HG SER 31 HG SER 31 10.290 15.566 6.981 210 H ASP 32 H ASP 32 7.119 14.332 5.445 211 HA ASP 32 HA ASP 32 6.967 14.026 8.366 212 HB2 ASP 32 1HB ASP 32 5.376 15.760 6.468 213 HB3 ASP 32 2HB ASP 32 5.015 15.595 8.184 214 H MET 33 H MET 33 6.534 11.952 6.217 215 HA MET 33 HA MET 33 3.781 11.204 6.959 216 HB2 MET 33 1HB MET 33 5.284 10.952 4.397 217 HB3 MET 33 2HB MET 33 4.133 9.687 4.806 218 HG2 MET 33 1HG MET 33 2.568 11.774 5.255 219 HG3 MET 33 2HG MET 33 3.669 12.526 4.103 220 HE1 MET 33 1HE MET 33 4.584 10.445 2.318 221 HE2 MET 33 2HE MET 33 3.387 9.962 1.117 222 HE3 MET 33 3HE MET 33 3.754 11.670 1.358 223 H SER 34 H SER 34 3.373 8.909 7.217 224 HA SER 34 HA SER 34 5.667 7.170 7.581 225 HB2 SER 34 1HB SER 34 5.086 6.626 9.921 226 HB3 SER 34 2HB SER 34 5.553 8.317 9.741 227 HG SER 34 HG SER 34 3.586 8.922 10.237 228 H ALA 35 H ALA 35 5.087 5.371 6.579 229 HA ALA 35 HA ALA 35 2.277 4.502 6.737 230 HB1 ALA 35 1HB ALA 35 4.330 3.832 4.631 231 HB2 ALA 35 2HB ALA 35 2.642 3.319 4.642 232 HB3 ALA 35 3HB ALA 35 3.043 5.028 4.470 233 H HIS 36 H HIS 36 1.809 2.619 7.687 234 HA HIS 36 HA HIS 36 4.000 0.719 8.191 235 HB2 HIS 36 1HB HIS 36 1.796 1.415 10.143 236 HB3 HIS 36 2HB HIS 36 3.109 0.272 10.413 237 HD1 HIS 36 1HD HIS 36 2.258 3.851 10.606 238 HD2 HIS 36 2HD HIS 36 5.681 1.500 10.749 239 HE1 HIS 36 1HE HIS 36 4.058 5.340 11.537 240 HE2 HIS 36 2HE HIS 36 6.139 3.922 11.534 241 H VAL 37 H VAL 37 3.595 -1.190 7.313 242 HA VAL 37 HA VAL 37 0.936 -1.862 6.403 243 HB VAL 37 HB VAL 37 3.529 -3.402 6.225 244 HG11 VAL 37 1HG1 VAL 37 1.375 -4.757 6.203 245 HG12 VAL 37 2HG1 VAL 37 1.019 -3.958 4.670 246 HG13 VAL 37 3HG1 VAL 37 2.460 -4.962 4.829 247 HG21 VAL 37 1HG2 VAL 37 2.027 -1.772 4.179 248 HG22 VAL 37 2HG2 VAL 37 3.560 -1.342 4.937 249 HG23 VAL 37 3HG2 VAL 37 3.470 -2.735 3.859 250 H THR 38 H THR 38 -0.437 -2.488 7.965 251 HA THR 38 HA THR 38 0.464 -4.196 10.137 252 HB THR 38 HB THR 38 -2.264 -3.022 9.565 253 HG1 THR 38 1HG THR 38 -1.698 -1.551 11.167 254 HG21 THR 38 1HG2 THR 38 -2.723 -3.648 11.943 255 HG22 THR 38 2HG2 THR 38 -1.226 -4.580 11.931 256 HG23 THR 38 3HG2 THR 38 -2.550 -5.024 10.855 257 H SER 39 H SER 39 -0.040 -6.313 10.408 258 HA SER 39 HA SER 39 -1.288 -7.657 8.123 259 HB2 SER 39 1HB SER 39 -0.149 -9.636 8.795 260 HB3 SER 39 2HB SER 39 1.018 -8.326 8.973 261 HG SER 39 HG SER 39 -0.281 -9.839 10.926 262 HA PRO 40 HA PRO 40 -4.940 -8.715 10.318 263 HB2 PRO 40 1HB PRO 40 -5.529 -11.117 9.199 264 HB3 PRO 40 2HB PRO 40 -5.724 -9.584 8.341 265 HG2 PRO 40 1HG PRO 40 -3.494 -11.575 8.180 266 HG3 PRO 40 2HG PRO 40 -4.304 -10.694 6.871 267 HD2 PRO 40 1HD PRO 40 -1.898 -9.944 7.861 268 HD3 PRO 40 2HD PRO 40 -3.078 -8.776 7.235 269 H SER 41 H SER 41 -2.066 -10.443 10.679 270 HA SER 41 HA SER 41 -3.180 -12.358 12.582 271 HB2 SER 41 1HB SER 41 -1.101 -13.480 12.500 272 HB3 SER 41 2HB SER 41 -1.384 -12.945 10.843 273 HG SER 41 HG SER 41 0.443 -11.941 10.999 274 H GLY 42 H GLY 42 -1.820 -9.259 12.543 275 HA2 GLY 42 1HA GLY 42 -1.930 -7.967 14.593 276 HA3 GLY 42 2HA GLY 42 -1.412 -9.403 15.462 277 H ARG 43 H ARG 43 0.131 -8.668 12.464 278 HA ARG 43 HA ARG 43 2.481 -7.670 13.938 279 HB2 ARG 43 1HB ARG 43 2.749 -9.993 13.077 280 HB3 ARG 43 2HB ARG 43 2.501 -9.382 11.447 281 HG2 ARG 43 1HG ARG 43 4.492 -7.803 12.047 282 HG3 ARG 43 2HG ARG 43 4.831 -9.032 13.267 283 HD2 ARG 43 1HD ARG 43 4.399 -9.710 10.371 284 HD3 ARG 43 2HD ARG 43 5.986 -9.288 11.014 285 HE ARG 43 HE ARG 43 5.106 -11.263 12.666 286 HH11 ARG 43 1HH1 ARG 43 5.511 -10.963 9.221 287 HH12 ARG 43 2HH1 ARG 43 5.838 -12.647 8.982 288 HH21 ARG 43 1HH2 ARG 43 5.536 -13.483 12.363 289 HH22 ARG 43 2HH2 ARG 43 5.851 -14.080 10.769 290 H VAL 44 H VAL 44 3.081 -5.688 13.393 291 HA VAL 44 HA VAL 44 2.418 -4.706 10.693 292 HB VAL 44 HB VAL 44 0.998 -3.523 12.190 293 HG11 VAL 44 1HG1 VAL 44 3.375 -2.727 13.853 294 HG12 VAL 44 2HG1 VAL 44 1.663 -2.507 14.220 295 HG13 VAL 44 3HG1 VAL 44 2.368 -4.124 14.230 296 HG21 VAL 44 1HG2 VAL 44 3.149 -1.495 12.006 297 HG22 VAL 44 2HG2 VAL 44 2.639 -2.266 10.504 298 HG23 VAL 44 3HG2 VAL 44 1.463 -1.408 11.499 299 H THR 45 H THR 45 3.960 -3.550 9.602 300 HA THR 45 HA THR 45 6.556 -3.184 10.942 301 HB THR 45 HB THR 45 7.424 -3.620 8.461 302 HG1 THR 45 1HG THR 45 6.182 -5.101 7.388 303 HG21 THR 45 1HG2 THR 45 7.861 -5.966 9.118 304 HG22 THR 45 2HG2 THR 45 6.732 -5.777 10.459 305 HG23 THR 45 3HG2 THR 45 8.213 -4.822 10.412 306 H GLU 46 H GLU 46 8.031 -1.814 9.371 307 HA GLU 46 HA GLU 46 6.525 0.628 8.844 308 HB2 GLU 46 1HB GLU 46 8.589 0.696 10.234 309 HB3 GLU 46 2HB GLU 46 9.514 0.184 8.829 310 HG2 GLU 46 1HG GLU 46 9.842 2.425 8.707 311 HG3 GLU 46 2HG GLU 46 8.378 2.290 7.734 312 H ALA 47 H ALA 47 6.542 1.717 6.882 313 HA ALA 47 HA ALA 47 7.347 0.076 4.573 314 HB1 ALA 47 1HB ALA 47 5.070 0.319 4.339 315 HB2 ALA 47 2HB ALA 47 5.065 1.945 5.024 316 HB3 ALA 47 3HB ALA 47 5.666 1.680 3.387 317 H GLU 48 H GLU 48 8.082 1.239 2.651 318 HA GLU 48 HA GLU 48 9.692 3.581 3.401 319 HB2 GLU 48 1HB GLU 48 11.056 1.765 2.635 320 HB3 GLU 48 2HB GLU 48 10.039 1.524 1.220 321 HG2 GLU 48 1HG GLU 48 10.854 3.419 0.154 322 HG3 GLU 48 2HG GLU 48 11.475 4.111 1.652 323 H ILE 49 H ILE 49 9.482 5.489 2.365 324 HA ILE 49 HA ILE 49 7.379 5.660 0.317 325 HB ILE 49 HB ILE 49 8.488 7.913 1.992 326 HG12 ILE 49 1HG1 ILE 49 5.907 6.381 2.375 327 HG13 ILE 49 2HG1 ILE 49 7.350 6.168 3.360 328 HG21 ILE 49 1HG2 ILE 49 7.499 8.638 -0.102 329 HG22 ILE 49 2HG2 ILE 49 6.038 7.714 0.245 330 HG23 ILE 49 3HG2 ILE 49 6.466 9.097 1.251 331 HD11 ILE 49 1HD1 ILE 49 7.183 8.535 4.038 332 HD12 ILE 49 2HD1 ILE 49 5.673 8.653 3.133 333 HD13 ILE 49 3HD1 ILE 49 5.789 7.568 4.518 334 H VAL 50 H VAL 50 8.710 5.134 -1.451 335 HA VAL 50 HA VAL 50 11.145 6.478 -2.024 336 HB VAL 50 HB VAL 50 9.354 5.171 -4.065 337 HG11 VAL 50 1HG1 VAL 50 11.709 4.545 -4.941 338 HG12 VAL 50 2HG1 VAL 50 11.110 6.187 -5.191 339 HG13 VAL 50 3HG1 VAL 50 12.264 5.855 -3.898 340 HG21 VAL 50 1HG2 VAL 50 9.566 3.624 -2.221 341 HG22 VAL 50 2HG2 VAL 50 10.562 3.072 -3.567 342 HG23 VAL 50 3HG2 VAL 50 11.313 3.862 -2.181 343 HA PRO 51 HA PRO 51 9.398 10.321 -3.413 344 HB2 PRO 51 1HB PRO 51 11.727 11.406 -4.290 345 HB3 PRO 51 2HB PRO 51 11.300 11.302 -2.577 346 HG2 PRO 51 1HG PRO 51 13.085 9.526 -4.197 347 HG3 PRO 51 2HG PRO 51 13.328 10.164 -2.561 348 HD2 PRO 51 1HD PRO 51 12.472 7.638 -3.026 349 HD3 PRO 51 2HD PRO 51 11.970 8.568 -1.600 350 H MET 52 H MET 52 8.155 9.602 -5.167 351 HA MET 52 HA MET 52 9.305 8.779 -7.640 352 HB2 MET 52 1HB MET 52 6.558 9.454 -6.685 353 HB3 MET 52 2HB MET 52 6.851 9.391 -8.418 354 HG2 MET 52 1HG MET 52 7.610 7.133 -6.599 355 HG3 MET 52 2HG MET 52 5.994 7.283 -7.283 356 HE1 MET 52 1HE MET 52 9.238 5.004 -8.910 357 HE2 MET 52 2HE MET 52 8.728 5.455 -7.283 358 HE3 MET 52 3HE MET 52 7.682 4.452 -8.289 359 H GLY 53 H GLY 53 8.077 11.838 -6.380 360 HA2 GLY 53 1HA GLY 53 9.602 13.297 -8.343 361 HA3 GLY 53 2HA GLY 53 7.865 13.409 -8.588 362 H LYS 54 H LYS 54 7.474 15.487 -8.052 363 HA LYS 54 HA LYS 54 8.685 16.722 -5.754 364 HB2 LYS 54 1HB LYS 54 6.670 17.593 -7.803 365 HB3 LYS 54 2HB LYS 54 6.956 18.562 -6.364 366 HG2 LYS 54 1HG LYS 54 9.464 18.341 -7.096 367 HG3 LYS 54 2HG LYS 54 8.746 18.024 -8.677 368 HD2 LYS 54 1HD LYS 54 7.760 20.359 -7.116 369 HD3 LYS 54 2HD LYS 54 9.340 20.478 -7.893 370 HE2 LYS 54 1HE LYS 54 8.220 19.738 -10.024 371 HE3 LYS 54 2HE LYS 54 6.678 19.934 -9.194 372 HZ1 LYS 54 1HZ LYS 54 8.663 22.016 -9.879 373 HZ2 LYS 54 2HZ LYS 54 7.457 22.282 -8.723 374 HZ3 LYS 54 3HZ LYS 54 7.033 21.933 -10.323 375 H ASN 55 H ASN 55 5.245 16.332 -6.620 376 HA ASN 55 HA ASN 55 4.651 16.065 -3.752 377 HB2 ASN 55 1HB ASN 55 2.255 16.581 -4.592 378 HB3 ASN 55 2HB ASN 55 3.423 17.898 -4.529 379 HD21 ASN 55 1HD2 ASN 55 0.982 17.095 -6.240 380 HD22 ASN 55 2HD2 ASN 55 1.516 17.422 -7.851 381 H SER 56 H SER 56 5.617 13.867 -5.321 382 HA SER 56 HA SER 56 3.241 12.124 -5.269 383 HB2 SER 56 1HB SER 56 5.610 12.080 -7.141 384 HB3 SER 56 2HB SER 56 4.505 10.716 -6.970 385 HG SER 56 HG SER 56 3.544 13.309 -7.525 386 H HIS 57 H HIS 57 3.426 10.140 -4.286 387 HA HIS 57 HA HIS 57 6.018 9.420 -3.120 388 HB2 HIS 57 1HB HIS 57 3.588 9.104 -1.416 389 HB3 HIS 57 2HB HIS 57 5.269 9.328 -0.941 390 HD1 HIS 57 1HD HIS 57 6.205 11.852 -1.335 391 HD2 HIS 57 2HD HIS 57 2.079 11.361 -1.295 392 HE1 HIS 57 1HE HIS 57 5.258 14.150 -0.952 393 HE2 HIS 57 2HE HIS 57 2.764 13.815 -0.846 394 H CYS 58 H CYS 58 6.453 7.291 -3.183 395 HA CYS 58 HA CYS 58 4.259 5.481 -3.953 396 HB2 CYS 58 1HB CYS 58 6.210 6.045 -5.624 397 HB3 CYS 58 2HB CYS 58 7.109 4.888 -4.651 398 HG CYS 58 HG CYS 58 5.059 2.879 -5.067 399 H VAL 59 H VAL 59 3.838 3.895 -2.573 400 HA VAL 59 HA VAL 59 5.785 3.322 -0.455 401 HB VAL 59 HB VAL 59 2.853 2.608 -0.604 402 HG11 VAL 59 1HG1 VAL 59 4.887 1.482 0.950 403 HG12 VAL 59 2HG1 VAL 59 4.014 2.574 2.028 404 HG13 VAL 59 3HG1 VAL 59 3.146 1.300 1.168 405 HG21 VAL 59 1HG2 VAL 59 3.496 5.065 -0.371 406 HG22 VAL 59 2HG2 VAL 59 2.414 4.399 0.852 407 HG23 VAL 59 3HG2 VAL 59 4.123 4.630 1.219 408 H ARG 60 H ARG 60 7.083 1.659 -0.862 409 HA ARG 60 HA ARG 60 6.038 -0.622 -2.392 410 HB2 ARG 60 1HB ARG 60 8.746 0.572 -2.042 411 HB3 ARG 60 2HB ARG 60 8.643 -1.162 -2.313 412 HG2 ARG 60 1HG ARG 60 7.565 -0.850 -4.412 413 HG3 ARG 60 2HG ARG 60 7.363 0.877 -4.114 414 HD2 ARG 60 1HD ARG 60 9.194 0.765 -5.555 415 HD3 ARG 60 2HD ARG 60 9.919 0.953 -3.959 416 HE ARG 60 HE ARG 60 9.875 -1.717 -4.259 417 HH11 ARG 60 1HH1 ARG 60 10.977 0.857 -6.329 418 HH12 ARG 60 2HH1 ARG 60 12.211 -0.099 -7.080 419 HH21 ARG 60 1HH2 ARG 60 11.497 -2.986 -5.240 420 HH22 ARG 60 2HH2 ARG 60 12.506 -2.285 -6.460 421 H PHE 61 H PHE 61 5.646 -2.487 -1.401 422 HA PHE 61 HA PHE 61 7.169 -3.300 0.922 423 HB2 PHE 61 1HB PHE 61 5.235 -3.604 2.374 424 HB3 PHE 61 2HB PHE 61 5.372 -1.915 1.899 425 HD1 PHE 61 1HD PHE 61 3.670 -5.065 0.867 426 HD2 PHE 61 2HD PHE 61 3.499 -0.820 1.131 427 HE1 PHE 61 1HE PHE 61 1.347 -5.111 0.057 428 HE2 PHE 61 2HE PHE 61 1.176 -0.859 0.322 429 HZ PHE 61 HZ PHE 61 0.097 -3.006 -0.215 430 H VAL 62 H VAL 62 6.490 -5.515 1.663 431 HA VAL 62 HA VAL 62 5.615 -7.098 -0.664 432 HB VAL 62 HB VAL 62 7.312 -8.091 1.625 433 HG11 VAL 62 1HG1 VAL 62 7.892 -9.696 -0.425 434 HG12 VAL 62 2HG1 VAL 62 6.549 -10.008 0.676 435 HG13 VAL 62 3HG1 VAL 62 6.252 -9.246 -0.888 436 HG21 VAL 62 1HG2 VAL 62 9.151 -7.981 -0.172 437 HG22 VAL 62 2HG2 VAL 62 8.096 -6.817 -0.975 438 HG23 VAL 62 3HG2 VAL 62 8.698 -6.488 0.650 439 HA PRO 63 HA PRO 63 2.179 -7.814 2.213 440 HB2 PRO 63 1HB PRO 63 0.464 -8.646 0.280 441 HB3 PRO 63 2HB PRO 63 0.772 -6.939 0.621 442 HG2 PRO 63 1HG PRO 63 1.915 -8.675 -1.533 443 HG3 PRO 63 2HG PRO 63 1.325 -7.006 -1.636 444 HD2 PRO 63 1HD PRO 63 3.959 -7.612 -1.474 445 HD3 PRO 63 2HD PRO 63 3.275 -6.130 -0.776 446 H GLN 64 H GLN 64 0.638 -9.796 2.315 447 HA GLN 64 HA GLN 64 2.272 -12.212 1.913 448 HB2 GLN 64 1HB GLN 64 0.217 -11.542 4.018 449 HB3 GLN 64 2HB GLN 64 0.844 -13.167 3.775 450 HG2 GLN 64 1HG GLN 64 2.544 -10.768 4.414 451 HG3 GLN 64 2HG GLN 64 1.944 -11.917 5.609 452 HE21 GLN 64 1HE2 GLN 64 4.069 -11.472 2.875 453 HE22 GLN 64 2HE2 GLN 64 5.053 -12.862 3.164 454 H GLU 65 H GLU 65 0.827 -14.260 1.867 455 HA GLU 65 HA GLU 65 -0.970 -13.934 -0.370 456 HB2 GLU 65 1HB GLU 65 -1.158 -16.490 -0.082 457 HB3 GLU 65 2HB GLU 65 0.385 -15.822 -0.595 458 HG2 GLU 65 1HG GLU 65 -0.073 -16.223 2.310 459 HG3 GLU 65 2HG GLU 65 0.219 -17.639 1.302 460 H MET 66 H MET 66 -3.155 -14.501 -0.425 461 HA MET 66 HA MET 66 -5.264 -14.154 0.462 462 HB2 MET 66 1HB MET 66 -4.679 -16.407 2.322 463 HB3 MET 66 2HB MET 66 -6.062 -16.156 1.264 464 HG2 MET 66 1HG MET 66 -3.313 -16.857 0.270 465 HG3 MET 66 2HG MET 66 -4.559 -18.049 0.635 466 HE1 MET 66 1HE MET 66 -3.547 -16.528 -3.142 467 HE2 MET 66 2HE MET 66 -3.887 -15.001 -2.327 468 HE3 MET 66 3HE MET 66 -2.792 -16.171 -1.588 469 H GLY 67 H GLY 67 -3.551 -12.375 1.715 470 HA2 GLY 67 1HA GLY 67 -4.698 -12.341 4.432 471 HA3 GLY 67 2HA GLY 67 -2.992 -12.000 4.183 472 H VAL 68 H VAL 68 -5.794 -10.546 4.826 473 HA VAL 68 HA VAL 68 -5.518 -8.270 3.040 474 HB VAL 68 HB VAL 68 -7.417 -8.567 5.367 475 HG11 VAL 68 1HG1 VAL 68 -7.817 -6.919 2.894 476 HG12 VAL 68 2HG1 VAL 68 -8.614 -6.780 4.462 477 HG13 VAL 68 3HG1 VAL 68 -6.929 -6.290 4.281 478 HG21 VAL 68 1HG2 VAL 68 -8.934 -8.988 3.156 479 HG22 VAL 68 2HG2 VAL 68 -7.434 -9.795 2.699 480 HG23 VAL 68 3HG2 VAL 68 -8.277 -10.270 4.174 481 H HIS 69 H HIS 69 -4.139 -6.690 3.471 482 HA HIS 69 HA HIS 69 -3.379 -6.187 6.266 483 HB2 HIS 69 1HB HIS 69 -1.935 -5.220 3.798 484 HB3 HIS 69 2HB HIS 69 -1.335 -5.247 5.453 485 HD1 HIS 69 1HD HIS 69 -2.834 -8.008 3.297 486 HD2 HIS 69 2HD HIS 69 0.574 -7.152 5.513 487 HE1 HIS 69 1HE HIS 69 -1.420 -10.084 3.184 488 HE2 HIS 69 2HE HIS 69 0.598 -9.573 4.603 489 H THR 70 H THR 70 -2.727 -3.813 6.642 490 HA THR 70 HA THR 70 -4.598 -1.994 5.289 491 HB THR 70 HB THR 70 -4.163 -1.789 8.255 492 HG1 THR 70 1HG THR 70 -6.426 -3.090 7.174 493 HG21 THR 70 1HG2 THR 70 -6.715 -1.085 6.936 494 HG22 THR 70 2HG2 THR 70 -5.321 -0.083 6.529 495 HG23 THR 70 3HG2 THR 70 -5.828 -0.249 8.209 496 H VAL 71 H VAL 71 -3.669 -0.163 4.643 497 HA VAL 71 HA VAL 71 -0.939 0.404 5.485 498 HB VAL 71 HB VAL 71 -2.632 1.701 3.345 499 HG11 VAL 71 1HG1 VAL 71 -0.106 2.324 2.684 500 HG12 VAL 71 2HG1 VAL 71 -1.138 3.369 3.662 501 HG13 VAL 71 3HG1 VAL 71 0.040 2.313 4.441 502 HG21 VAL 71 1HG2 VAL 71 -1.133 -0.742 3.409 503 HG22 VAL 71 2HG2 VAL 71 -2.110 -0.068 2.104 504 HG23 VAL 71 3HG2 VAL 71 -0.409 0.376 2.252 505 H SER 72 H SER 72 -0.784 1.520 7.329 506 HA SER 72 HA SER 72 -2.751 3.548 8.008 507 HB2 SER 72 1HB SER 72 -1.744 3.594 10.172 508 HB3 SER 72 2HB SER 72 -1.790 1.900 9.685 509 HG SER 72 HG SER 72 0.448 3.637 9.494 510 H VAL 73 H VAL 73 -2.524 5.459 7.043 511 HA VAL 73 HA VAL 73 0.178 6.633 6.902 512 HB VAL 73 HB VAL 73 -2.125 7.189 5.027 513 HG11 VAL 73 1HG1 VAL 73 0.715 7.947 4.513 514 HG12 VAL 73 2HG1 VAL 73 -0.773 8.675 3.904 515 HG13 VAL 73 3HG1 VAL 73 -0.273 8.953 5.573 516 HG21 VAL 73 1HG2 VAL 73 -1.373 5.617 3.608 517 HG22 VAL 73 2HG2 VAL 73 0.319 5.948 3.977 518 HG23 VAL 73 3HG2 VAL 73 -0.631 4.918 5.047 519 H LYS 74 H LYS 74 0.195 7.881 8.707 520 HA LYS 74 HA LYS 74 -2.041 9.744 9.119 521 HB2 LYS 74 1HB LYS 74 -0.073 8.444 10.935 522 HB3 LYS 74 2HB LYS 74 -0.638 10.053 11.366 523 HG2 LYS 74 1HG LYS 74 -2.999 8.984 10.927 524 HG3 LYS 74 2HG LYS 74 -2.128 7.483 11.250 525 HD2 LYS 74 1HD LYS 74 -2.336 9.883 13.066 526 HD3 LYS 74 2HD LYS 74 -3.094 8.307 13.303 527 HE2 LYS 74 1HE LYS 74 -0.144 8.398 12.968 528 HE3 LYS 74 2HE LYS 74 -0.816 8.976 14.492 529 HZ1 LYS 74 1HZ LYS 74 -0.602 6.793 14.991 530 HZ2 LYS 74 2HZ LYS 74 -0.763 6.275 13.389 531 HZ3 LYS 74 3HZ LYS 74 -2.134 6.712 14.278 532 H TYR 75 H TYR 75 -1.596 11.953 9.611 533 HA TYR 75 HA TYR 75 1.041 12.884 8.686 534 HB2 TYR 75 1HB TYR 75 -0.390 13.424 6.896 535 HB3 TYR 75 2HB TYR 75 -1.702 13.895 7.972 536 HD1 TYR 75 1HD TYR 75 1.759 14.892 7.001 537 HD2 TYR 75 2HD TYR 75 -2.044 16.144 8.439 538 HE1 TYR 75 1HE TYR 75 2.477 17.239 6.838 539 HE2 TYR 75 2HE TYR 75 -1.338 18.494 8.279 540 HH TYR 75 HH TYR 75 1.839 19.373 6.976 541 H ARG 76 H ARG 76 2.007 13.527 10.516 542 HA ARG 76 HA ARG 76 2.417 14.616 12.473 543 HB2 ARG 76 1HB ARG 76 0.711 16.496 10.908 544 HB3 ARG 76 2HB ARG 76 1.048 16.888 12.589 545 HG2 ARG 76 1HG ARG 76 3.530 16.379 11.838 546 HG3 ARG 76 2HG ARG 76 2.874 16.802 10.255 547 HD2 ARG 76 1HD ARG 76 3.762 18.790 11.239 548 HD3 ARG 76 2HD ARG 76 2.003 18.911 11.261 549 HE ARG 76 HE ARG 76 2.894 17.819 13.695 550 HH11 ARG 76 1HH1 ARG 76 2.887 20.818 11.928 551 HH12 ARG 76 2HH1 ARG 76 2.928 21.808 13.350 552 HH21 ARG 76 1HH2 ARG 76 2.948 19.110 15.575 553 HH22 ARG 76 2HH2 ARG 76 2.964 20.835 15.424 554 H GLY 77 H GLY 77 0.605 12.567 12.770 555 HA2 GLY 77 1HA GLY 77 -0.758 11.758 14.446 556 HA3 GLY 77 2HA GLY 77 -0.717 13.352 15.184 557 H GLN 78 H GLN 78 -1.753 12.753 11.887 558 HA GLN 78 HA GLN 78 -4.560 12.914 12.625 559 HB2 GLN 78 1HB GLN 78 -3.131 15.044 11.044 560 HB3 GLN 78 2HB GLN 78 -4.868 14.799 10.924 561 HG2 GLN 78 1HG GLN 78 -4.993 15.126 13.403 562 HG3 GLN 78 2HG GLN 78 -3.295 15.596 13.356 563 HE21 GLN 78 1HE2 GLN 78 -5.785 17.077 14.047 564 HE22 GLN 78 2HE2 GLN 78 -5.748 18.494 13.060 565 H HIS 79 H HIS 79 -5.264 11.147 11.606 566 HA HIS 79 HA HIS 79 -4.175 9.961 9.344 567 HB2 HIS 79 1HB HIS 79 -6.911 9.836 10.585 568 HB3 HIS 79 2HB HIS 79 -6.545 8.944 9.111 569 HD1 HIS 79 1HD HIS 79 -5.355 6.753 9.370 570 HD2 HIS 79 2HD HIS 79 -5.326 9.005 12.862 571 HE1 HIS 79 1HE HIS 79 -4.411 5.237 11.141 572 HE2 HIS 79 2HE HIS 79 -4.483 6.592 13.262 573 H VAL 80 H VAL 80 -4.291 10.333 7.218 574 HA VAL 80 HA VAL 80 -5.574 12.725 6.276 575 HB VAL 80 HB VAL 80 -4.661 12.093 4.067 576 HG11 VAL 80 1HG1 VAL 80 -2.739 11.947 6.385 577 HG12 VAL 80 2HG1 VAL 80 -2.265 12.214 4.707 578 HG13 VAL 80 3HG1 VAL 80 -3.276 13.397 5.538 579 HG21 VAL 80 1HG2 VAL 80 -4.839 9.703 4.160 580 HG22 VAL 80 2HG2 VAL 80 -3.139 10.123 3.954 581 HG23 VAL 80 3HG2 VAL 80 -3.739 9.627 5.536 582 H THR 81 H THR 81 -6.648 12.405 3.947 583 HA THR 81 HA THR 81 -9.147 11.157 4.440 584 HB THR 81 HB THR 81 -8.610 13.170 2.894 585 HG1 THR 81 1HG THR 81 -10.466 12.554 1.583 586 HG21 THR 81 1HG2 THR 81 -7.005 11.679 1.531 587 HG22 THR 81 2HG2 THR 81 -8.091 12.756 0.653 588 HG23 THR 81 3HG2 THR 81 -8.468 11.038 0.785 589 H GLY 82 H GLY 82 -9.923 9.201 3.879 590 HA2 GLY 82 1HA GLY 82 -10.070 7.204 2.660 591 HA3 GLY 82 2HA GLY 82 -8.535 7.584 1.894 592 H SER 83 H SER 83 -7.008 8.034 4.224 593 HA SER 83 HA SER 83 -6.325 5.348 4.874 594 HB2 SER 83 1HB SER 83 -4.545 6.938 4.777 595 HB3 SER 83 2HB SER 83 -5.355 8.013 5.916 596 HG SER 83 HG SER 83 -5.068 6.384 7.512 597 HA PRO 84 HA PRO 84 -5.241 4.233 6.498 598 HB2 PRO 84 1HB PRO 84 -6.125 1.813 7.354 599 HB3 PRO 84 2HB PRO 84 -5.328 2.977 8.420 600 HG2 PRO 84 1HG PRO 84 -8.248 2.414 8.076 601 HG3 PRO 84 2HG PRO 84 -7.328 2.679 9.568 602 HD2 PRO 84 1HD PRO 84 -8.838 4.614 8.425 603 HD3 PRO 84 2HD PRO 84 -7.349 4.971 9.323 604 H PHE 85 H PHE 85 -4.936 2.752 4.801 605 HA PHE 85 HA PHE 85 -7.299 2.396 3.093 606 HB2 PHE 85 1HB PHE 85 -4.360 2.337 2.375 607 HB3 PHE 85 2HB PHE 85 -5.690 2.138 1.239 608 HD1 PHE 85 2HD PHE 85 -7.187 4.040 0.746 609 HD2 PHE 85 1HD PHE 85 -3.698 4.478 3.144 610 HE1 PHE 85 2HE PHE 85 -7.276 6.478 0.424 611 HE2 PHE 85 1HE PHE 85 -3.782 6.917 2.827 612 HZ PHE 85 HZ PHE 85 -5.571 7.919 1.464 613 H GLN 86 H GLN 86 -8.194 0.452 3.208 614 HA GLN 86 HA GLN 86 -6.585 -1.859 3.956 615 HB2 GLN 86 1HB GLN 86 -8.926 -1.258 4.897 616 HB3 GLN 86 2HB GLN 86 -9.533 -1.926 3.387 617 HG2 GLN 86 1HG GLN 86 -7.964 -3.943 4.086 618 HG3 GLN 86 2HG GLN 86 -8.266 -3.284 5.693 619 HE21 GLN 86 1HE2 GLN 86 -10.537 -2.969 6.293 620 HE22 GLN 86 2HE2 GLN 86 -11.708 -4.098 5.712 621 H PHE 87 H PHE 87 -6.017 -3.466 2.612 622 HA PHE 87 HA PHE 87 -7.299 -3.693 0.000 623 HB2 PHE 87 1HB PHE 87 -5.277 -3.566 -1.249 624 HB3 PHE 87 2HB PHE 87 -5.287 -2.162 -0.187 625 HD1 PHE 87 2HD PHE 87 -3.850 -5.525 -0.679 626 HD2 PHE 87 1HD PHE 87 -3.599 -1.833 1.425 627 HE1 PHE 87 2HE PHE 87 -1.645 -6.177 0.197 628 HE2 PHE 87 1HE PHE 87 -1.394 -2.479 2.303 629 HZ PHE 87 HZ PHE 87 -0.415 -4.655 1.691 630 H THR 88 H THR 88 -7.286 -5.743 -0.844 631 HA THR 88 HA THR 88 -6.232 -7.833 0.934 632 HB THR 88 HB THR 88 -8.428 -7.958 -1.140 633 HG1 THR 88 1HG THR 88 -9.727 -8.297 0.718 634 HG21 THR 88 1HG2 THR 88 -8.766 -10.255 -0.491 635 HG22 THR 88 2HG2 THR 88 -7.481 -10.147 0.712 636 HG23 THR 88 3HG2 THR 88 -7.092 -10.055 -1.005 637 H VAL 89 H VAL 89 -4.880 -9.409 0.199 638 HA VAL 89 HA VAL 89 -3.670 -8.948 -2.422 639 HB VAL 89 HB VAL 89 -2.735 -10.786 -0.215 640 HG11 VAL 89 1HG1 VAL 89 -1.936 -11.327 -2.496 641 HG12 VAL 89 2HG1 VAL 89 -1.246 -9.707 -2.605 642 HG13 VAL 89 3HG1 VAL 89 -0.640 -10.846 -1.402 643 HG21 VAL 89 1HG2 VAL 89 -2.858 -8.170 0.126 644 HG22 VAL 89 2HG2 VAL 89 -1.472 -9.106 0.684 645 HG23 VAL 89 3HG2 VAL 89 -1.379 -8.213 -0.834 646 H GLY 90 H GLY 90 -3.600 -10.457 -4.040 647 HA2 GLY 90 1HA GLY 90 -5.307 -12.832 -3.636 648 HA3 GLY 90 2HA GLY 90 -5.135 -11.983 -5.165 649 HA PRO 91 HA PRO 91 -2.372 -15.653 -5.394 650 HB2 PRO 91 1HB PRO 91 -2.909 -16.161 -8.006 651 HB3 PRO 91 2HB PRO 91 -3.919 -16.758 -6.684 652 HG2 PRO 91 1HG PRO 91 -4.329 -14.382 -8.459 653 HG3 PRO 91 2HG PRO 91 -5.509 -15.589 -7.914 654 HD2 PRO 91 1HD PRO 91 -5.299 -13.140 -6.777 655 HD3 PRO 91 2HD PRO 91 -5.779 -14.582 -5.859 656 H LEU 92 H LEU 92 -0.303 -15.689 -6.142 657 HA LEU 92 HA LEU 92 0.965 -13.344 -6.927 658 HB2 LEU 92 1HB LEU 92 2.916 -14.582 -7.089 659 HB3 LEU 92 2HB LEU 92 1.941 -15.505 -5.948 660 HG LEU 92 HG LEU 92 1.268 -16.896 -8.035 661 HD11 LEU 92 1HD1 LEU 92 2.186 -16.302 -9.962 662 HD12 LEU 92 2HD1 LEU 92 3.771 -16.695 -9.296 663 HD13 LEU 92 3HD1 LEU 92 3.143 -15.052 -9.166 664 HD21 LEU 92 1HD2 LEU 92 2.562 -17.769 -6.175 665 HD22 LEU 92 2HD2 LEU 92 4.030 -17.042 -6.829 666 HD23 LEU 92 3HD2 LEU 92 3.224 -18.344 -7.705 667 H GLY 93 H GLY 93 -0.780 -15.637 -8.805 668 HA2 GLY 93 1HA GLY 93 -0.639 -14.009 -11.136 669 HA3 GLY 93 2HA GLY 93 0.374 -15.434 -11.311 670 H GLU 94 H GLU 94 -2.237 -14.474 -12.562 671 HA GLU 94 HA GLU 94 -4.302 -16.219 -11.766 672 HB2 GLU 94 1HB GLU 94 -5.328 -15.679 -13.941 673 HB3 GLU 94 2HB GLU 94 -4.760 -14.242 -13.102 674 HG2 GLU 94 1HG GLU 94 -2.882 -14.042 -14.536 675 HG3 GLU 94 2HG GLU 94 -3.173 -15.631 -15.242 676 H GLY 95 H GLY 95 -1.369 -16.924 -13.162 677 HA2 GLY 95 1HA GLY 95 -0.589 -18.665 -14.493 678 HA3 GLY 95 2HA GLY 95 -1.511 -19.591 -13.319 679 H GLY 96 H GLY 96 -2.108 -21.209 -14.743 680 HA2 GLY 96 1HA GLY 96 -3.851 -22.121 -16.020 681 HA3 GLY 96 2HA GLY 96 -4.314 -20.498 -16.508 682 H SER 97 H SER 97 -4.500 -21.388 -18.661 683 HA SER 97 HA SER 97 -3.772 -21.766 -20.783 684 HB2 SER 97 1HB SER 97 -2.747 -19.526 -20.390 685 HB3 SER 97 2HB SER 97 -1.272 -20.332 -19.856 686 HG SER 97 HG SER 97 -2.309 -21.077 -22.330 687 H GLY 98 H GLY 98 -3.548 -23.985 -19.328 688 HA2 GLY 98 1HA GLY 98 -0.919 -25.083 -20.118 689 HA3 GLY 98 2HA GLY 98 -1.729 -25.557 -18.632 690 HA PRO 99 HA PRO 99 -3.469 -28.947 -20.817 691 HB2 PRO 99 1HB PRO 99 -5.593 -29.467 -19.209 692 HB3 PRO 99 2HB PRO 99 -3.928 -29.851 -18.756 693 HG2 PRO 99 1HG PRO 99 -5.616 -27.511 -17.960 694 HG3 PRO 99 2HG PRO 99 -4.536 -28.501 -16.962 695 HD2 PRO 99 1HD PRO 99 -3.817 -26.072 -17.918 696 HD3 PRO 99 2HD PRO 99 -2.649 -27.387 -17.677 697 H SER 100 H SER 100 -4.232 -28.185 -22.761 698 HA SER 100 HA SER 100 -6.593 -26.557 -22.937 699 HB2 SER 100 1HB SER 100 -4.649 -26.493 -24.563 700 HB3 SER 100 2HB SER 100 -5.232 -28.033 -25.196 701 HG SER 100 HG SER 100 -5.984 -25.772 -26.050 702 H SER 101 H SER 101 -5.786 -29.898 -23.865 703 HA SER 101 HA SER 101 -8.232 -30.699 -24.851 704 HB2 SER 101 1HB SER 101 -6.233 -32.108 -24.963 705 HB3 SER 101 2HB SER 101 -6.280 -32.338 -23.215 706 HG SER 101 HG SER 101 -8.389 -33.082 -24.957 707 H GLY 102 H GLY 102 -7.125 -30.707 -21.477 708 HA2 GLY 102 1HA GLY 102 -9.863 -30.462 -20.568 709 HA3 GLY 102 2HA GLY 102 -9.091 -31.983 -20.143 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -22.991 5.498 5.060 2 HA2 GLY 1 1HA GLY 1 -20.708 4.952 3.263 3 HA3 GLY 1 2HA GLY 1 -21.266 3.801 4.468 4 H SER 2 H SER 2 -21.007 3.239 1.711 5 HA SER 2 HA SER 2 -23.772 3.161 0.740 6 HB2 SER 2 1HB SER 2 -22.834 2.571 -1.424 7 HB3 SER 2 2HB SER 2 -22.000 3.993 -0.797 8 HG SER 2 HG SER 2 -20.229 2.895 -0.943 9 H SER 3 H SER 3 -24.744 1.215 0.072 10 HA SER 3 HA SER 3 -24.625 -0.929 1.736 11 HB2 SER 3 1HB SER 3 -26.432 -0.713 0.156 12 HB3 SER 3 2HB SER 3 -25.329 -0.907 -1.206 13 HG SER 3 HG SER 3 -24.966 -3.039 -0.539 14 H GLY 4 H GLY 4 -23.432 -2.743 1.998 15 HA2 GLY 4 1HA GLY 4 -20.969 -2.921 0.424 16 HA3 GLY 4 2HA GLY 4 -21.271 -3.707 1.967 17 H SER 5 H SER 5 -20.612 -4.436 -1.055 18 HA SER 5 HA SER 5 -22.630 -6.502 -1.451 19 HB2 SER 5 1HB SER 5 -21.820 -5.086 -3.359 20 HB3 SER 5 2HB SER 5 -20.241 -5.853 -3.191 21 HG SER 5 HG SER 5 -20.991 -7.472 -4.281 22 H SER 6 H SER 6 -21.916 -8.713 -2.013 23 HA SER 6 HA SER 6 -19.399 -9.513 -0.744 24 HB2 SER 6 1HB SER 6 -20.396 -11.149 0.640 25 HB3 SER 6 2HB SER 6 -21.400 -9.714 0.852 26 HG SER 6 HG SER 6 -22.999 -10.895 0.207 27 H GLY 7 H GLY 7 -18.488 -11.410 -1.546 28 HA2 GLY 7 1HA GLY 7 -19.328 -13.469 -2.958 29 HA3 GLY 7 2HA GLY 7 -19.527 -12.205 -4.162 30 H ARG 8 H ARG 8 -17.543 -10.868 -4.592 31 HA ARG 8 HA ARG 8 -15.041 -12.305 -4.136 32 HB2 ARG 8 1HB ARG 8 -16.283 -11.768 -6.816 33 HB3 ARG 8 2HB ARG 8 -14.535 -11.866 -6.646 34 HG2 ARG 8 1HG ARG 8 -15.063 -14.128 -5.459 35 HG3 ARG 8 2HG ARG 8 -16.592 -13.997 -6.330 36 HD2 ARG 8 1HD ARG 8 -13.898 -13.768 -7.655 37 HD3 ARG 8 2HD ARG 8 -14.779 -15.287 -7.506 38 HE ARG 8 HE ARG 8 -15.379 -13.090 -9.284 39 HH11 ARG 8 1HH1 ARG 8 -16.552 -15.980 -7.738 40 HH12 ARG 8 2HH1 ARG 8 -17.803 -16.253 -8.905 41 HH21 ARG 8 1HH2 ARG 8 -17.022 -13.439 -10.827 42 HH22 ARG 8 2HH2 ARG 8 -18.069 -14.807 -10.662 43 H ALA 9 H ALA 9 -13.581 -10.900 -3.445 44 HA ALA 9 HA ALA 9 -13.999 -8.060 -3.767 45 HB1 ALA 9 1HB ALA 9 -12.375 -7.756 -2.137 46 HB2 ALA 9 2HB ALA 9 -13.112 -9.293 -1.680 47 HB3 ALA 9 3HB ALA 9 -11.562 -9.273 -2.521 48 HA PRO 10 HA PRO 10 -11.441 -7.481 -7.303 49 HB2 PRO 10 1HB PRO 10 -10.774 -4.876 -6.933 50 HB3 PRO 10 2HB PRO 10 -12.382 -5.391 -7.455 51 HG2 PRO 10 1HG PRO 10 -11.434 -4.621 -4.722 52 HG3 PRO 10 2HG PRO 10 -12.942 -4.186 -5.546 53 HD2 PRO 10 1HD PRO 10 -12.815 -6.144 -3.681 54 HD3 PRO 10 2HD PRO 10 -13.943 -6.202 -5.050 55 H SER 11 H SER 11 -9.448 -8.256 -7.536 56 HA SER 11 HA SER 11 -7.503 -8.160 -5.451 57 HB2 SER 11 1HB SER 11 -6.039 -9.318 -7.051 58 HB3 SER 11 2HB SER 11 -7.638 -10.059 -7.008 59 HG SER 11 HG SER 11 -6.357 -8.746 -9.056 60 H VAL 12 H VAL 12 -6.635 -6.241 -4.945 61 HA VAL 12 HA VAL 12 -5.808 -4.429 -7.096 62 HB VAL 12 HB VAL 12 -5.301 -2.938 -4.983 63 HG11 VAL 12 1HG1 VAL 12 -8.027 -2.639 -5.041 64 HG12 VAL 12 2HG1 VAL 12 -6.889 -1.901 -6.170 65 HG13 VAL 12 3HG1 VAL 12 -7.690 -3.416 -6.588 66 HG21 VAL 12 1HG2 VAL 12 -5.737 -4.760 -3.378 67 HG22 VAL 12 2HG2 VAL 12 -6.790 -3.369 -3.122 68 HG23 VAL 12 3HG2 VAL 12 -7.414 -4.811 -3.922 69 H ALA 13 H ALA 13 -4.561 -6.485 -4.594 70 HA ALA 13 HA ALA 13 -1.829 -5.750 -5.409 71 HB1 ALA 13 1HB ALA 13 -1.053 -5.611 -3.263 72 HB2 ALA 13 2HB ALA 13 -2.694 -5.006 -3.035 73 HB3 ALA 13 3HB ALA 13 -2.305 -6.675 -2.622 74 H THR 14 H THR 14 -0.344 -7.422 -5.550 75 HA THR 14 HA THR 14 -1.512 -10.124 -5.469 76 HB THR 14 HB THR 14 0.934 -9.299 -7.033 77 HG1 THR 14 1HG THR 14 -0.982 -8.165 -7.735 78 HG21 THR 14 1HG2 THR 14 -0.509 -11.786 -6.582 79 HG22 THR 14 2HG2 THR 14 1.093 -11.520 -7.270 80 HG23 THR 14 3HG2 THR 14 -0.338 -11.405 -8.294 81 H VAL 15 H VAL 15 -0.475 -11.769 -4.415 82 HA VAL 15 HA VAL 15 1.159 -11.152 -2.225 83 HB VAL 15 HB VAL 15 -0.192 -13.151 -2.210 84 HG11 VAL 15 1HG1 VAL 15 -0.404 -14.192 -4.184 85 HG12 VAL 15 2HG1 VAL 15 1.181 -13.655 -4.746 86 HG13 VAL 15 3HG1 VAL 15 1.047 -15.071 -3.702 87 HG21 VAL 15 1HG2 VAL 15 1.504 -13.484 -0.706 88 HG22 VAL 15 2HG2 VAL 15 1.756 -14.865 -1.773 89 HG23 VAL 15 3HG2 VAL 15 2.761 -13.426 -1.941 90 H GLY 16 H GLY 16 3.325 -11.157 -1.890 91 HA2 GLY 16 1HA GLY 16 5.583 -11.392 -2.327 92 HA3 GLY 16 2HA GLY 16 5.169 -12.340 -3.748 93 H SER 17 H SER 17 3.660 -10.562 -5.199 94 HA SER 17 HA SER 17 5.595 -9.068 -6.534 95 HB2 SER 17 1HB SER 17 2.674 -8.338 -6.587 96 HB3 SER 17 2HB SER 17 3.854 -8.250 -7.894 97 HG SER 17 HG SER 17 3.927 -10.593 -7.768 98 H ILE 18 H ILE 18 6.534 -7.182 -6.127 99 HA ILE 18 HA ILE 18 6.215 -5.737 -3.791 100 HB ILE 18 HB ILE 18 7.205 -4.652 -6.430 101 HG12 ILE 18 1HG1 ILE 18 8.337 -6.749 -5.655 102 HG13 ILE 18 2HG1 ILE 18 9.406 -5.353 -5.749 103 HG21 ILE 18 1HG2 ILE 18 6.886 -3.462 -3.838 104 HG22 ILE 18 2HG2 ILE 18 8.593 -3.520 -4.277 105 HG23 ILE 18 3HG2 ILE 18 7.434 -2.729 -5.345 106 HD11 ILE 18 1HD1 ILE 18 8.326 -5.437 -3.136 107 HD12 ILE 18 2HD1 ILE 18 8.900 -7.054 -3.545 108 HD13 ILE 18 3HD1 ILE 18 9.996 -5.676 -3.649 109 H CYS 19 H CYS 19 4.530 -4.624 -3.080 110 HA CYS 19 HA CYS 19 2.559 -3.576 -4.931 111 HB2 CYS 19 1HB CYS 19 2.196 -4.742 -2.587 112 HB3 CYS 19 2HB CYS 19 2.414 -3.104 -1.983 113 HG CYS 19 HG CYS 19 0.055 -3.977 -4.304 114 H ASP 20 H ASP 20 2.510 -1.556 -5.648 115 HA ASP 20 HA ASP 20 4.140 0.461 -4.252 116 HB2 ASP 20 1HB ASP 20 3.294 0.392 -7.157 117 HB3 ASP 20 2HB ASP 20 4.303 1.625 -6.406 118 H LEU 21 H LEU 21 3.052 1.969 -3.194 119 HA LEU 21 HA LEU 21 0.242 2.443 -3.876 120 HB2 LEU 21 1HB LEU 21 1.220 1.905 -1.497 121 HB3 LEU 21 2HB LEU 21 1.566 3.633 -1.485 122 HG LEU 21 HG LEU 21 -0.951 3.887 -2.063 123 HD11 LEU 21 1HD1 LEU 21 -1.980 1.926 -2.365 124 HD12 LEU 21 2HD1 LEU 21 -1.963 1.811 -0.606 125 HD13 LEU 21 3HD1 LEU 21 -0.702 1.021 -1.553 126 HD21 LEU 21 1HD2 LEU 21 -0.433 4.778 -0.035 127 HD22 LEU 21 2HD2 LEU 21 0.363 3.311 0.534 128 HD23 LEU 21 3HD2 LEU 21 -1.399 3.406 0.510 129 H ASN 22 H ASN 22 0.027 3.987 -5.372 130 HA ASN 22 HA ASN 22 1.847 6.232 -5.494 131 HB2 ASN 22 1HB ASN 22 -0.663 5.952 -7.130 132 HB3 ASN 22 2HB ASN 22 0.841 6.766 -7.552 133 HD21 ASN 22 1HD2 ASN 22 2.772 5.050 -7.218 134 HD22 ASN 22 2HD2 ASN 22 2.541 3.608 -8.143 135 H LEU 23 H LEU 23 1.560 8.113 -4.504 136 HA LEU 23 HA LEU 23 -1.166 8.924 -3.756 137 HB2 LEU 23 1HB LEU 23 1.245 8.642 -2.050 138 HB3 LEU 23 2HB LEU 23 0.188 10.018 -1.744 139 HG LEU 23 HG LEU 23 -0.804 7.176 -1.783 140 HD11 LEU 23 1HD1 LEU 23 0.233 8.798 0.534 141 HD12 LEU 23 2HD1 LEU 23 0.861 7.263 -0.065 142 HD13 LEU 23 3HD1 LEU 23 -0.728 7.328 0.698 143 HD21 LEU 23 1HD2 LEU 23 -2.216 8.960 -0.066 144 HD22 LEU 23 2HD2 LEU 23 -2.798 8.101 -1.492 145 HD23 LEU 23 3HD2 LEU 23 -2.070 9.699 -1.661 146 H LYS 24 H LYS 24 -1.633 11.078 -3.949 147 HA LYS 24 HA LYS 24 0.535 12.835 -4.889 148 HB2 LYS 24 1HB LYS 24 -0.551 12.585 -6.888 149 HB3 LYS 24 2HB LYS 24 -2.096 12.226 -6.129 150 HG2 LYS 24 1HG LYS 24 -2.695 14.416 -5.984 151 HG3 LYS 24 2HG LYS 24 -1.027 14.979 -5.849 152 HD2 LYS 24 1HD LYS 24 -1.587 15.689 -7.972 153 HD3 LYS 24 2HD LYS 24 -0.840 14.126 -8.309 154 HE2 LYS 24 1HE LYS 24 -2.754 13.972 -9.567 155 HE3 LYS 24 2HE LYS 24 -3.294 13.245 -8.054 156 HZ1 LYS 24 1HZ LYS 24 -3.900 15.924 -9.132 157 HZ2 LYS 24 2HZ LYS 24 -4.038 15.610 -7.476 158 HZ3 LYS 24 3HZ LYS 24 -4.970 14.733 -8.583 159 H ILE 25 H ILE 25 0.747 13.797 -2.862 160 HA ILE 25 HA ILE 25 -1.449 15.618 -2.162 161 HB ILE 25 HB ILE 25 0.207 14.336 -0.012 162 HG12 ILE 25 1HG1 ILE 25 -2.391 13.307 -1.170 163 HG13 ILE 25 2HG1 ILE 25 -0.835 12.484 -1.191 164 HG21 ILE 25 1HG2 ILE 25 -1.019 15.595 1.346 165 HG22 ILE 25 2HG2 ILE 25 -1.709 16.373 -0.077 166 HG23 ILE 25 3HG2 ILE 25 -2.515 14.981 0.645 167 HD11 ILE 25 1HD1 ILE 25 -1.311 13.015 1.490 168 HD12 ILE 25 2HD1 ILE 25 -2.873 12.516 0.840 169 HD13 ILE 25 3HD1 ILE 25 -1.468 11.464 0.666 170 HA PRO 26 HA PRO 26 2.327 18.123 -2.648 171 HB2 PRO 26 1HB PRO 26 0.981 20.387 -3.306 172 HB3 PRO 26 2HB PRO 26 1.360 19.120 -4.479 173 HG2 PRO 26 1HG PRO 26 -1.196 19.639 -3.010 174 HG3 PRO 26 2HG PRO 26 -0.952 19.212 -4.713 175 HD2 PRO 26 1HD PRO 26 -1.702 17.397 -2.849 176 HD3 PRO 26 2HD PRO 26 -0.690 16.970 -4.244 177 H GLU 27 H GLU 27 -0.305 18.175 -0.511 178 HA GLU 27 HA GLU 27 0.559 20.535 0.942 179 HB2 GLU 27 1HB GLU 27 -1.750 18.666 1.087 180 HB3 GLU 27 2HB GLU 27 -1.290 19.499 2.565 181 HG2 GLU 27 1HG GLU 27 -3.009 20.741 1.444 182 HG3 GLU 27 2HG GLU 27 -1.500 21.650 1.392 183 H ILE 28 H ILE 28 1.099 17.149 0.974 184 HA ILE 28 HA ILE 28 2.355 17.341 3.632 185 HB ILE 28 HB ILE 28 1.249 14.929 2.196 186 HG12 ILE 28 1HG1 ILE 28 0.514 16.047 4.903 187 HG13 ILE 28 2HG1 ILE 28 -0.316 16.511 3.422 188 HG21 ILE 28 1HG2 ILE 28 3.304 14.285 3.281 189 HG22 ILE 28 2HG2 ILE 28 2.804 15.078 4.774 190 HG23 ILE 28 3HG2 ILE 28 1.938 13.653 4.200 191 HD11 ILE 28 1HD1 ILE 28 -1.012 14.445 5.065 192 HD12 ILE 28 2HD1 ILE 28 -1.514 14.637 3.385 193 HD13 ILE 28 3HD1 ILE 28 -0.122 13.629 3.779 194 H ASN 29 H ASN 29 4.344 16.131 3.945 195 HA ASN 29 HA ASN 29 5.899 15.854 1.457 196 HB2 ASN 29 1HB ASN 29 6.622 17.100 4.089 197 HB3 ASN 29 2HB ASN 29 7.881 16.414 3.066 198 HD21 ASN 29 1HD2 ASN 29 7.357 19.186 3.867 199 HD22 ASN 29 2HD2 ASN 29 7.207 20.078 2.395 200 H SER 30 H SER 30 7.368 14.159 1.319 201 HA SER 30 HA SER 30 6.666 11.767 2.593 202 HB2 SER 30 1HB SER 30 9.392 12.219 1.401 203 HB3 SER 30 2HB SER 30 8.404 10.758 1.377 204 HG SER 30 HG SER 30 8.559 12.548 -0.498 205 H SER 31 H SER 31 8.826 14.298 3.524 206 HA SER 31 HA SER 31 10.408 12.786 5.350 207 HB2 SER 31 1HB SER 31 10.948 15.073 4.293 208 HB3 SER 31 2HB SER 31 9.924 15.753 5.557 209 HG SER 31 HG SER 31 12.450 14.659 5.721 210 H ASP 32 H ASP 32 7.298 14.287 5.499 211 HA ASP 32 HA ASP 32 7.188 13.817 8.405 212 HB2 ASP 32 1HB ASP 32 5.828 15.801 6.619 213 HB3 ASP 32 2HB ASP 32 5.048 15.309 8.120 214 H MET 33 H MET 33 6.745 11.950 6.046 215 HA MET 33 HA MET 33 3.980 11.150 6.661 216 HB2 MET 33 1HB MET 33 5.705 10.809 4.235 217 HB3 MET 33 2HB MET 33 4.393 9.679 4.538 218 HG2 MET 33 1HG MET 33 2.787 11.484 4.520 219 HG3 MET 33 2HG MET 33 4.081 12.663 4.324 220 HE1 MET 33 1HE MET 33 4.317 9.196 2.401 221 HE2 MET 33 2HE MET 33 2.619 9.402 2.830 222 HE3 MET 33 3HE MET 33 3.116 9.475 1.139 223 H SER 34 H SER 34 3.518 8.993 7.164 224 HA SER 34 HA SER 34 5.730 7.135 7.518 225 HB2 SER 34 1HB SER 34 3.950 7.926 9.836 226 HB3 SER 34 2HB SER 34 5.228 6.711 9.869 227 HG SER 34 HG SER 34 5.703 9.420 9.196 228 H ALA 35 H ALA 35 5.034 5.376 6.510 229 HA ALA 35 HA ALA 35 2.205 4.605 6.808 230 HB1 ALA 35 1HB ALA 35 3.570 3.253 4.652 231 HB2 ALA 35 2HB ALA 35 2.103 4.233 4.618 232 HB3 ALA 35 3HB ALA 35 3.683 5.006 4.486 233 H HIS 36 H HIS 36 1.705 2.639 7.607 234 HA HIS 36 HA HIS 36 3.898 0.729 8.057 235 HB2 HIS 36 1HB HIS 36 1.694 1.355 10.031 236 HB3 HIS 36 2HB HIS 36 3.005 0.202 10.261 237 HD1 HIS 36 1HD HIS 36 2.303 3.888 10.171 238 HD2 HIS 36 2HD HIS 36 5.431 1.300 11.054 239 HE1 HIS 36 1HE HIS 36 4.066 5.312 11.259 240 HE2 HIS 36 2HE HIS 36 5.984 3.741 11.707 241 H VAL 37 H VAL 37 3.475 -1.314 7.476 242 HA VAL 37 HA VAL 37 0.829 -1.906 6.401 243 HB VAL 37 HB VAL 37 3.430 -3.433 6.226 244 HG11 VAL 37 1HG1 VAL 37 1.413 -4.225 4.327 245 HG12 VAL 37 2HG1 VAL 37 2.337 -5.212 5.462 246 HG13 VAL 37 3HG1 VAL 37 0.837 -4.441 5.980 247 HG21 VAL 37 1HG2 VAL 37 1.925 -1.663 4.320 248 HG22 VAL 37 2HG2 VAL 37 3.597 -1.522 4.864 249 HG23 VAL 37 3HG2 VAL 37 3.133 -2.825 3.769 250 H THR 38 H THR 38 -0.597 -2.647 7.837 251 HA THR 38 HA THR 38 0.287 -4.342 10.042 252 HB THR 38 HB THR 38 -2.476 -3.249 9.480 253 HG1 THR 38 1HG THR 38 -0.776 -2.286 11.509 254 HG21 THR 38 1HG2 THR 38 -2.238 -5.305 10.961 255 HG22 THR 38 2HG2 THR 38 -3.055 -3.914 11.674 256 HG23 THR 38 3HG2 THR 38 -1.378 -4.262 12.093 257 H SER 39 H SER 39 -0.060 -6.477 10.156 258 HA SER 39 HA SER 39 -1.364 -7.767 7.882 259 HB2 SER 39 1HB SER 39 0.544 -8.701 10.008 260 HB3 SER 39 2HB SER 39 -0.385 -9.868 9.067 261 HG SER 39 HG SER 39 1.355 -9.615 7.837 262 HA PRO 40 HA PRO 40 -4.983 -8.992 10.038 263 HB2 PRO 40 1HB PRO 40 -5.437 -11.458 8.996 264 HB3 PRO 40 2HB PRO 40 -5.686 -9.967 8.080 265 HG2 PRO 40 1HG PRO 40 -3.363 -11.854 8.032 266 HG3 PRO 40 2HG PRO 40 -4.187 -11.059 6.677 267 HD2 PRO 40 1HD PRO 40 -1.838 -10.162 7.684 268 HD3 PRO 40 2HD PRO 40 -3.060 -9.073 6.994 269 H SER 41 H SER 41 -2.052 -10.666 10.443 270 HA SER 41 HA SER 41 -3.103 -12.545 12.399 271 HB2 SER 41 1HB SER 41 -0.790 -13.363 12.545 272 HB3 SER 41 2HB SER 41 -1.324 -13.285 10.866 273 HG SER 41 HG SER 41 0.410 -11.522 12.241 274 H GLY 42 H GLY 42 -1.774 -9.396 12.299 275 HA2 GLY 42 1HA GLY 42 -2.072 -8.049 14.317 276 HA3 GLY 42 2HA GLY 42 -1.514 -9.436 15.241 277 H ARG 43 H ARG 43 0.159 -8.886 12.319 278 HA ARG 43 HA ARG 43 2.398 -7.714 13.832 279 HB2 ARG 43 1HB ARG 43 2.894 -9.959 13.040 280 HB3 ARG 43 2HB ARG 43 2.439 -9.510 11.402 281 HG2 ARG 43 1HG ARG 43 4.338 -8.179 11.114 282 HG3 ARG 43 2HG ARG 43 4.664 -8.117 12.847 283 HD2 ARG 43 1HD ARG 43 6.226 -9.657 12.190 284 HD3 ARG 43 2HD ARG 43 4.872 -10.721 12.571 285 HE ARG 43 HE ARG 43 5.979 -10.172 9.957 286 HH11 ARG 43 1HH1 ARG 43 3.278 -11.409 11.772 287 HH12 ARG 43 2HH1 ARG 43 2.670 -12.367 10.464 288 HH21 ARG 43 1HH2 ARG 43 5.189 -11.429 8.226 289 HH22 ARG 43 2HH2 ARG 43 3.758 -12.379 8.447 290 H VAL 44 H VAL 44 2.734 -5.647 13.385 291 HA VAL 44 HA VAL 44 2.167 -4.683 10.656 292 HB VAL 44 HB VAL 44 0.680 -3.630 12.245 293 HG11 VAL 44 1HG1 VAL 44 3.191 -2.871 13.732 294 HG12 VAL 44 2HG1 VAL 44 1.586 -2.223 14.078 295 HG13 VAL 44 3HG1 VAL 44 1.908 -3.944 14.289 296 HG21 VAL 44 1HG2 VAL 44 1.728 -1.197 12.056 297 HG22 VAL 44 2HG2 VAL 44 2.824 -2.032 10.955 298 HG23 VAL 44 3HG2 VAL 44 1.086 -2.051 10.653 299 H THR 45 H THR 45 3.750 -3.691 9.544 300 HA THR 45 HA THR 45 6.283 -3.159 10.955 301 HB THR 45 HB THR 45 7.256 -3.557 8.543 302 HG1 THR 45 1HG THR 45 5.480 -4.015 7.358 303 HG21 THR 45 1HG2 THR 45 7.551 -4.894 10.736 304 HG22 THR 45 2HG2 THR 45 7.929 -5.689 9.208 305 HG23 THR 45 3HG2 THR 45 6.400 -6.022 10.021 306 H GLU 46 H GLU 46 7.739 -1.719 9.441 307 HA GLU 46 HA GLU 46 6.099 0.614 8.738 308 HB2 GLU 46 1HB GLU 46 7.955 0.741 10.501 309 HB3 GLU 46 2HB GLU 46 9.081 0.611 9.157 310 HG2 GLU 46 1HG GLU 46 8.010 2.626 8.158 311 HG3 GLU 46 2HG GLU 46 7.063 2.788 9.636 312 H ALA 47 H ALA 47 5.949 1.282 6.697 313 HA ALA 47 HA ALA 47 7.484 -0.123 4.654 314 HB1 ALA 47 1HB ALA 47 5.138 -0.056 4.251 315 HB2 ALA 47 2HB ALA 47 5.085 1.690 4.493 316 HB3 ALA 47 3HB ALA 47 5.904 1.021 3.082 317 H GLU 48 H GLU 48 8.371 1.106 2.818 318 HA GLU 48 HA GLU 48 9.636 3.581 3.768 319 HB2 GLU 48 1HB GLU 48 11.267 1.936 3.208 320 HB3 GLU 48 2HB GLU 48 10.462 1.556 1.692 321 HG2 GLU 48 1HG GLU 48 11.449 4.326 2.115 322 HG3 GLU 48 2HG GLU 48 12.619 3.054 1.770 323 H ILE 49 H ILE 49 9.473 5.467 2.657 324 HA ILE 49 HA ILE 49 7.537 5.512 0.455 325 HB ILE 49 HB ILE 49 8.564 7.776 2.170 326 HG12 ILE 49 1HG1 ILE 49 5.757 6.700 2.123 327 HG13 ILE 49 2HG1 ILE 49 6.983 5.971 3.154 328 HG21 ILE 49 1HG2 ILE 49 6.520 8.927 1.089 329 HG22 ILE 49 2HG2 ILE 49 8.013 8.795 0.160 330 HG23 ILE 49 3HG2 ILE 49 6.679 7.685 -0.153 331 HD11 ILE 49 1HD1 ILE 49 6.104 8.848 3.229 332 HD12 ILE 49 2HD1 ILE 49 5.640 7.586 4.371 333 HD13 ILE 49 3HD1 ILE 49 7.321 8.108 4.269 334 H VAL 50 H VAL 50 8.138 5.951 -1.565 335 HA VAL 50 HA VAL 50 10.883 6.919 -2.015 336 HB VAL 50 HB VAL 50 9.147 5.442 -3.993 337 HG11 VAL 50 1HG1 VAL 50 12.131 5.630 -4.052 338 HG12 VAL 50 2HG1 VAL 50 11.001 5.333 -5.374 339 HG13 VAL 50 3HG1 VAL 50 11.144 6.949 -4.682 340 HG21 VAL 50 1HG2 VAL 50 9.917 4.254 -1.770 341 HG22 VAL 50 2HG2 VAL 50 9.996 3.423 -3.324 342 HG23 VAL 50 3HG2 VAL 50 11.451 4.140 -2.632 343 HA PRO 51 HA PRO 51 8.998 10.649 -3.527 344 HB2 PRO 51 1HB PRO 51 11.292 11.806 -4.404 345 HB3 PRO 51 2HB PRO 51 10.847 11.729 -2.695 346 HG2 PRO 51 1HG PRO 51 12.725 9.986 -4.243 347 HG3 PRO 51 2HG PRO 51 12.920 10.677 -2.622 348 HD2 PRO 51 1HD PRO 51 12.174 8.106 -3.030 349 HD3 PRO 51 2HD PRO 51 11.615 9.053 -1.636 350 H MET 52 H MET 52 7.862 9.569 -5.253 351 HA MET 52 HA MET 52 9.040 8.789 -7.678 352 HB2 MET 52 1HB MET 52 6.253 9.554 -6.873 353 HB3 MET 52 2HB MET 52 6.633 9.247 -8.562 354 HG2 MET 52 1HG MET 52 7.679 7.042 -7.556 355 HG3 MET 52 2HG MET 52 6.525 7.374 -6.267 356 HE1 MET 52 1HE MET 52 7.421 5.823 -9.153 357 HE2 MET 52 2HE MET 52 6.068 4.691 -9.157 358 HE3 MET 52 3HE MET 52 6.173 5.946 -10.393 359 H GLY 53 H GLY 53 7.214 11.771 -6.941 360 HA2 GLY 53 1HA GLY 53 9.019 13.455 -8.326 361 HA3 GLY 53 2HA GLY 53 7.659 13.064 -9.368 362 H LYS 54 H LYS 54 6.267 14.687 -9.408 363 HA LYS 54 HA LYS 54 6.080 16.861 -7.811 364 HB2 LYS 54 1HB LYS 54 3.982 15.362 -9.342 365 HB3 LYS 54 2HB LYS 54 3.530 16.765 -8.383 366 HG2 LYS 54 1HG LYS 54 5.415 17.968 -9.671 367 HG3 LYS 54 2HG LYS 54 5.283 16.618 -10.801 368 HD2 LYS 54 1HD LYS 54 2.922 17.107 -11.135 369 HD3 LYS 54 2HD LYS 54 3.011 18.420 -9.958 370 HE2 LYS 54 1HE LYS 54 3.261 19.624 -11.877 371 HE3 LYS 54 2HE LYS 54 4.952 19.233 -11.565 372 HZ1 LYS 54 1HZ LYS 54 3.149 18.185 -13.618 373 HZ2 LYS 54 2HZ LYS 54 4.336 17.147 -13.007 374 HZ3 LYS 54 3HZ LYS 54 4.783 18.609 -13.731 375 H ASN 55 H ASN 55 6.412 16.473 -5.634 376 HA ASN 55 HA ASN 55 5.994 15.637 -3.518 377 HB2 ASN 55 1HB ASN 55 3.172 16.532 -3.970 378 HB3 ASN 55 2HB ASN 55 4.216 16.795 -2.576 379 HD21 ASN 55 1HD2 ASN 55 5.136 18.709 -2.379 380 HD22 ASN 55 2HD2 ASN 55 5.281 19.894 -3.629 381 H SER 56 H SER 56 5.644 13.604 -5.527 382 HA SER 56 HA SER 56 3.285 12.121 -4.657 383 HB2 SER 56 1HB SER 56 3.875 12.249 -7.083 384 HB3 SER 56 2HB SER 56 5.351 11.350 -6.732 385 HG SER 56 HG SER 56 4.196 9.614 -6.855 386 H HIS 57 H HIS 57 3.369 10.110 -3.665 387 HA HIS 57 HA HIS 57 6.001 9.291 -2.628 388 HB2 HIS 57 1HB HIS 57 3.535 8.861 -0.993 389 HB3 HIS 57 2HB HIS 57 5.206 9.042 -0.469 390 HD1 HIS 57 1HD HIS 57 6.165 11.554 -0.584 391 HD2 HIS 57 2HD HIS 57 2.041 11.142 -0.876 392 HE1 HIS 57 1HE HIS 57 5.226 13.838 -0.109 393 HE2 HIS 57 2HE HIS 57 2.726 13.545 -0.208 394 H CYS 58 H CYS 58 6.519 7.256 -3.077 395 HA CYS 58 HA CYS 58 4.359 5.405 -3.840 396 HB2 CYS 58 1HB CYS 58 5.653 5.629 -5.763 397 HB3 CYS 58 2HB CYS 58 7.155 5.766 -4.858 398 HG CYS 58 HG CYS 58 5.659 2.801 -4.493 399 H VAL 59 H VAL 59 3.917 4.117 -2.170 400 HA VAL 59 HA VAL 59 5.967 3.345 -0.277 401 HB VAL 59 HB VAL 59 3.058 2.541 -0.420 402 HG11 VAL 59 1HG1 VAL 59 4.813 2.353 2.001 403 HG12 VAL 59 2HG1 VAL 59 3.278 1.545 1.673 404 HG13 VAL 59 3HG1 VAL 59 4.741 1.040 0.826 405 HG21 VAL 59 1HG2 VAL 59 3.393 4.951 -0.083 406 HG22 VAL 59 2HG2 VAL 59 2.708 4.175 1.345 407 HG23 VAL 59 3HG2 VAL 59 4.419 4.605 1.310 408 H ARG 60 H ARG 60 7.285 1.703 -0.674 409 HA ARG 60 HA ARG 60 6.346 -0.500 -2.377 410 HB2 ARG 60 1HB ARG 60 8.309 0.295 -3.333 411 HB3 ARG 60 2HB ARG 60 9.048 0.640 -1.775 412 HG2 ARG 60 1HG ARG 60 9.500 -1.660 -1.386 413 HG3 ARG 60 2HG ARG 60 8.522 -2.146 -2.773 414 HD2 ARG 60 1HD ARG 60 10.934 -0.377 -3.058 415 HD3 ARG 60 2HD ARG 60 11.059 -2.136 -3.065 416 HE ARG 60 HE ARG 60 9.108 -1.316 -4.925 417 HH11 ARG 60 1HH1 ARG 60 12.555 -1.320 -4.440 418 HH12 ARG 60 2HH1 ARG 60 12.925 -1.345 -6.133 419 HH21 ARG 60 1HH2 ARG 60 9.581 -1.349 -7.156 420 HH22 ARG 60 2HH2 ARG 60 11.232 -1.361 -7.677 421 H PHE 61 H PHE 61 5.819 -2.356 -1.448 422 HA PHE 61 HA PHE 61 7.324 -3.404 0.778 423 HB2 PHE 61 1HB PHE 61 5.458 -3.606 2.315 424 HB3 PHE 61 2HB PHE 61 5.677 -1.913 1.887 425 HD1 PHE 61 1HD PHE 61 3.755 -4.902 0.755 426 HD2 PHE 61 2HD PHE 61 3.813 -0.688 1.352 427 HE1 PHE 61 1HE PHE 61 1.395 -4.776 0.070 428 HE2 PHE 61 2HE PHE 61 1.453 -0.555 0.670 429 HZ PHE 61 HZ PHE 61 0.240 -2.601 0.029 430 H VAL 62 H VAL 62 6.696 -5.614 1.320 431 HA VAL 62 HA VAL 62 5.486 -6.966 -0.997 432 HB VAL 62 HB VAL 62 7.301 -8.185 1.085 433 HG11 VAL 62 1HG1 VAL 62 6.865 -10.134 0.115 434 HG12 VAL 62 2HG1 VAL 62 5.633 -9.333 -0.862 435 HG13 VAL 62 3HG1 VAL 62 7.282 -9.484 -1.470 436 HG21 VAL 62 1HG2 VAL 62 8.903 -8.150 -0.980 437 HG22 VAL 62 2HG2 VAL 62 7.895 -6.797 -1.492 438 HG23 VAL 62 3HG2 VAL 62 8.752 -6.724 0.047 439 HA PRO 63 HA PRO 63 2.161 -7.755 1.932 440 HB2 PRO 63 1HB PRO 63 0.446 -8.728 0.066 441 HB3 PRO 63 2HB PRO 63 0.718 -6.998 0.312 442 HG2 PRO 63 1HG PRO 63 1.879 -8.822 -1.759 443 HG3 PRO 63 2HG PRO 63 1.249 -7.175 -1.945 444 HD2 PRO 63 1HD PRO 63 3.898 -7.712 -1.780 445 HD3 PRO 63 2HD PRO 63 3.188 -6.210 -1.155 446 H GLN 64 H GLN 64 0.778 -9.727 2.342 447 HA GLN 64 HA GLN 64 2.455 -12.117 2.073 448 HB2 GLN 64 1HB GLN 64 0.276 -11.344 4.002 449 HB3 GLN 64 2HB GLN 64 0.854 -13.000 3.873 450 HG2 GLN 64 1HG GLN 64 2.523 -10.596 4.579 451 HG3 GLN 64 2HG GLN 64 1.930 -11.818 5.704 452 HE21 GLN 64 1HE2 GLN 64 4.276 -11.025 3.316 453 HE22 GLN 64 2HE2 GLN 64 5.242 -12.448 3.478 454 H GLU 65 H GLU 65 1.102 -14.226 2.058 455 HA GLU 65 HA GLU 65 -0.540 -14.122 -0.315 456 HB2 GLU 65 1HB GLU 65 -0.622 -16.638 0.038 457 HB3 GLU 65 2HB GLU 65 0.966 -15.941 -0.250 458 HG2 GLU 65 1HG GLU 65 0.032 -16.314 2.552 459 HG3 GLU 65 2HG GLU 65 0.600 -17.708 1.635 460 H MET 66 H MET 66 -2.689 -14.088 -0.386 461 HA MET 66 HA MET 66 -4.847 -13.908 0.337 462 HB2 MET 66 1HB MET 66 -3.959 -16.401 1.792 463 HB3 MET 66 2HB MET 66 -5.634 -15.876 1.688 464 HG2 MET 66 1HG MET 66 -5.587 -17.341 -0.042 465 HG3 MET 66 2HG MET 66 -5.116 -15.871 -0.892 466 HE1 MET 66 1HE MET 66 -3.554 -15.664 -2.291 467 HE2 MET 66 2HE MET 66 -2.003 -15.547 -1.459 468 HE3 MET 66 3HE MET 66 -2.243 -16.767 -2.711 469 H GLY 67 H GLY 67 -3.175 -12.197 1.726 470 HA2 GLY 67 1HA GLY 67 -4.439 -12.221 4.393 471 HA3 GLY 67 2HA GLY 67 -2.737 -11.829 4.198 472 H VAL 68 H VAL 68 -5.601 -10.467 4.784 473 HA VAL 68 HA VAL 68 -5.392 -8.170 3.032 474 HB VAL 68 HB VAL 68 -7.225 -8.550 5.402 475 HG11 VAL 68 1HG1 VAL 68 -6.695 -6.268 4.017 476 HG12 VAL 68 2HG1 VAL 68 -8.073 -6.914 3.123 477 HG13 VAL 68 3HG1 VAL 68 -8.209 -6.609 4.856 478 HG21 VAL 68 1HG2 VAL 68 -8.393 -8.855 2.753 479 HG22 VAL 68 2HG2 VAL 68 -7.192 -10.093 3.121 480 HG23 VAL 68 3HG2 VAL 68 -8.574 -9.858 4.192 481 H HIS 69 H HIS 69 -3.941 -6.641 3.427 482 HA HIS 69 HA HIS 69 -3.195 -6.068 6.212 483 HB2 HIS 69 1HB HIS 69 -1.727 -5.190 3.724 484 HB3 HIS 69 2HB HIS 69 -1.136 -5.170 5.383 485 HD1 HIS 69 1HD HIS 69 -2.478 -7.870 3.044 486 HD2 HIS 69 2HD HIS 69 0.578 -7.206 5.779 487 HE1 HIS 69 1HE HIS 69 -1.130 -9.992 3.073 488 HE2 HIS 69 2HE HIS 69 0.663 -9.598 4.798 489 H THR 70 H THR 70 -2.715 -3.770 6.716 490 HA THR 70 HA THR 70 -4.423 -1.912 5.203 491 HB THR 70 HB THR 70 -4.233 -1.646 8.176 492 HG1 THR 70 1HG THR 70 -4.925 -3.825 7.724 493 HG21 THR 70 1HG2 THR 70 -5.898 -0.155 7.918 494 HG22 THR 70 2HG2 THR 70 -6.763 -1.178 6.770 495 HG23 THR 70 3HG2 THR 70 -5.431 -0.163 6.218 496 H VAL 71 H VAL 71 -3.422 -0.094 4.636 497 HA VAL 71 HA VAL 71 -0.766 0.447 5.693 498 HB VAL 71 HB VAL 71 -2.233 1.963 3.536 499 HG11 VAL 71 1HG1 VAL 71 0.244 2.328 2.853 500 HG12 VAL 71 2HG1 VAL 71 -0.440 3.282 4.170 501 HG13 VAL 71 3HG1 VAL 71 0.588 1.893 4.527 502 HG21 VAL 71 1HG2 VAL 71 -0.554 0.498 2.112 503 HG22 VAL 71 2HG2 VAL 71 -0.761 -0.619 3.461 504 HG23 VAL 71 3HG2 VAL 71 -2.164 -0.089 2.532 505 H SER 72 H SER 72 -0.692 1.559 7.538 506 HA SER 72 HA SER 72 -2.709 3.554 8.155 507 HB2 SER 72 1HB SER 72 -1.966 3.456 10.355 508 HB3 SER 72 2HB SER 72 -1.601 1.826 9.789 509 HG SER 72 HG SER 72 0.082 3.755 10.661 510 H VAL 73 H VAL 73 -2.480 5.502 7.278 511 HA VAL 73 HA VAL 73 0.214 6.703 7.232 512 HB VAL 73 HB VAL 73 -2.021 7.354 5.311 513 HG11 VAL 73 1HG1 VAL 73 0.843 7.908 4.762 514 HG12 VAL 73 2HG1 VAL 73 -0.598 8.810 4.288 515 HG13 VAL 73 3HG1 VAL 73 0.018 8.932 5.937 516 HG21 VAL 73 1HG2 VAL 73 0.316 5.988 4.225 517 HG22 VAL 73 2HG2 VAL 73 -0.616 4.995 5.345 518 HG23 VAL 73 3HG2 VAL 73 -1.400 5.703 3.933 519 H LYS 74 H LYS 74 0.138 7.885 9.086 520 HA LYS 74 HA LYS 74 -2.100 9.769 9.408 521 HB2 LYS 74 1HB LYS 74 -0.290 8.386 11.341 522 HB3 LYS 74 2HB LYS 74 -0.945 9.959 11.779 523 HG2 LYS 74 1HG LYS 74 -3.227 8.942 11.170 524 HG3 LYS 74 2HG LYS 74 -2.395 7.389 11.282 525 HD2 LYS 74 1HD LYS 74 -2.082 7.566 13.544 526 HD3 LYS 74 2HD LYS 74 -2.058 9.331 13.511 527 HE2 LYS 74 1HE LYS 74 -4.430 9.430 13.271 528 HE3 LYS 74 2HE LYS 74 -4.533 7.690 13.009 529 HZ1 LYS 74 1HZ LYS 74 -3.457 8.801 15.526 530 HZ2 LYS 74 2HZ LYS 74 -4.074 7.253 15.234 531 HZ3 LYS 74 3HZ LYS 74 -5.120 8.581 15.306 532 H TYR 75 H TYR 75 -1.657 11.946 9.979 533 HA TYR 75 HA TYR 75 1.103 12.847 9.545 534 HB2 TYR 75 1HB TYR 75 0.005 13.148 7.411 535 HB3 TYR 75 2HB TYR 75 -1.357 13.954 8.180 536 HD1 TYR 75 2HD TYR 75 -1.049 16.223 9.162 537 HD2 TYR 75 1HD TYR 75 1.990 14.337 6.857 538 HE1 TYR 75 2HE TYR 75 0.056 18.398 8.849 539 HE2 TYR 75 1HE TYR 75 3.104 16.506 6.539 540 HH TYR 75 HH TYR 75 2.740 18.799 6.663 541 H ARG 76 H ARG 76 1.715 13.954 11.269 542 HA ARG 76 HA ARG 76 1.678 15.250 13.141 543 HB2 ARG 76 1HB ARG 76 -0.427 16.678 11.509 544 HB3 ARG 76 2HB ARG 76 0.264 17.313 12.996 545 HG2 ARG 76 1HG ARG 76 2.126 16.517 10.826 546 HG3 ARG 76 2HG ARG 76 1.188 17.998 10.624 547 HD2 ARG 76 1HD ARG 76 3.091 18.783 11.664 548 HD3 ARG 76 2HD ARG 76 2.010 18.528 13.033 549 HE ARG 76 HE ARG 76 3.400 16.175 12.747 550 HH11 ARG 76 1HH1 ARG 76 4.200 19.518 13.297 551 HH12 ARG 76 2HH1 ARG 76 5.636 19.162 14.197 552 HH21 ARG 76 1HH2 ARG 76 5.289 15.693 13.930 553 HH22 ARG 76 2HH2 ARG 76 6.256 16.985 14.556 554 H GLY 77 H GLY 77 0.027 12.887 13.151 555 HA2 GLY 77 1HA GLY 77 -1.346 11.908 14.734 556 HA3 GLY 77 2HA GLY 77 -1.539 13.484 15.485 557 H GLN 78 H GLN 78 -2.239 12.736 12.118 558 HA GLN 78 HA GLN 78 -5.084 12.569 12.595 559 HB2 GLN 78 1HB GLN 78 -3.861 14.936 11.176 560 HB3 GLN 78 2HB GLN 78 -5.559 14.496 11.041 561 HG2 GLN 78 1HG GLN 78 -5.772 14.748 13.493 562 HG3 GLN 78 2HG GLN 78 -4.101 15.308 13.545 563 HE21 GLN 78 1HE2 GLN 78 -7.264 15.995 12.143 564 HE22 GLN 78 2HE2 GLN 78 -7.043 17.704 12.030 565 H HIS 79 H HIS 79 -5.569 10.864 11.383 566 HA HIS 79 HA HIS 79 -4.167 9.761 9.315 567 HB2 HIS 79 1HB HIS 79 -7.051 9.705 10.081 568 HB3 HIS 79 2HB HIS 79 -6.589 9.010 8.530 569 HD1 HIS 79 1HD HIS 79 -4.212 7.394 9.007 570 HD2 HIS 79 2HD HIS 79 -7.179 7.724 11.897 571 HE1 HIS 79 1HE HIS 79 -3.932 5.383 10.491 572 HE2 HIS 79 2HE HIS 79 -5.792 5.560 12.181 573 H VAL 80 H VAL 80 -4.114 9.929 7.096 574 HA VAL 80 HA VAL 80 -4.831 12.519 6.025 575 HB VAL 80 HB VAL 80 -3.606 11.887 4.053 576 HG11 VAL 80 1HG1 VAL 80 -1.732 10.640 5.885 577 HG12 VAL 80 2HG1 VAL 80 -1.641 12.198 5.060 578 HG13 VAL 80 3HG1 VAL 80 -2.512 12.057 6.587 579 HG21 VAL 80 1HG2 VAL 80 -3.174 9.139 5.187 580 HG22 VAL 80 2HG2 VAL 80 -4.513 9.500 4.098 581 HG23 VAL 80 3HG2 VAL 80 -2.850 9.720 3.554 582 H THR 81 H THR 81 -5.724 12.515 3.699 583 HA THR 81 HA THR 81 -8.362 11.612 3.746 584 HB THR 81 HB THR 81 -6.724 12.322 1.305 585 HG1 THR 81 1HG THR 81 -7.000 14.342 1.893 586 HG21 THR 81 1HG2 THR 81 -8.601 11.503 0.316 587 HG22 THR 81 2HG2 THR 81 -9.215 13.109 0.711 588 HG23 THR 81 3HG2 THR 81 -9.593 11.739 1.755 589 H GLY 82 H GLY 82 -9.156 9.628 3.554 590 HA2 GLY 82 1HA GLY 82 -9.550 7.627 2.353 591 HA3 GLY 82 2HA GLY 82 -7.973 7.799 1.596 592 H SER 83 H SER 83 -6.335 8.111 3.788 593 HA SER 83 HA SER 83 -5.932 5.453 4.593 594 HB2 SER 83 1HB SER 83 -4.031 6.862 4.595 595 HB3 SER 83 2HB SER 83 -4.832 8.078 5.590 596 HG SER 83 HG SER 83 -4.828 6.495 7.295 597 HA PRO 84 HA PRO 84 -4.964 4.323 6.304 598 HB2 PRO 84 1HB PRO 84 -6.000 1.965 7.162 599 HB3 PRO 84 2HB PRO 84 -5.205 3.115 8.243 600 HG2 PRO 84 1HG PRO 84 -8.127 2.678 7.763 601 HG3 PRO 84 2HG PRO 84 -7.271 2.933 9.294 602 HD2 PRO 84 1HD PRO 84 -8.631 4.909 8.038 603 HD3 PRO 84 2HD PRO 84 -7.173 5.218 9.004 604 H PHE 85 H PHE 85 -4.655 2.737 4.684 605 HA PHE 85 HA PHE 85 -6.950 2.450 2.868 606 HB2 PHE 85 1HB PHE 85 -3.986 2.315 2.274 607 HB3 PHE 85 2HB PHE 85 -5.269 2.109 1.086 608 HD1 PHE 85 2HD PHE 85 -6.780 4.035 0.578 609 HD2 PHE 85 1HD PHE 85 -3.252 4.451 2.923 610 HE1 PHE 85 2HE PHE 85 -6.814 6.465 0.193 611 HE2 PHE 85 1HE PHE 85 -3.281 6.882 2.542 612 HZ PHE 85 HZ PHE 85 -5.063 7.892 1.174 613 H GLN 86 H GLN 86 -7.903 0.534 3.027 614 HA GLN 86 HA GLN 86 -6.365 -1.805 3.839 615 HB2 GLN 86 1HB GLN 86 -8.765 -1.058 4.656 616 HB3 GLN 86 2HB GLN 86 -9.283 -1.929 3.219 617 HG2 GLN 86 1HG GLN 86 -7.697 -3.791 4.226 618 HG3 GLN 86 2HG GLN 86 -8.075 -2.945 5.726 619 HE21 GLN 86 1HE2 GLN 86 -10.232 -2.861 6.431 620 HE22 GLN 86 2HE2 GLN 86 -11.407 -3.997 5.871 621 H PHE 87 H PHE 87 -5.877 -3.490 2.545 622 HA PHE 87 HA PHE 87 -7.123 -3.714 -0.080 623 HB2 PHE 87 1HB PHE 87 -5.016 -3.776 -1.274 624 HB3 PHE 87 2HB PHE 87 -5.130 -2.259 -0.387 625 HD1 PHE 87 2HD PHE 87 -3.653 -5.657 -0.253 626 HD2 PHE 87 1HD PHE 87 -3.464 -1.632 1.116 627 HE1 PHE 87 2HE PHE 87 -1.485 -6.125 0.813 628 HE2 PHE 87 1HE PHE 87 -1.295 -2.093 2.183 629 HZ PHE 87 HZ PHE 87 -0.304 -4.342 2.033 630 H THR 88 H THR 88 -7.291 -5.779 -0.791 631 HA THR 88 HA THR 88 -6.265 -7.863 1.002 632 HB THR 88 HB THR 88 -8.394 -8.120 -1.128 633 HG1 THR 88 1HG THR 88 -9.314 -6.860 0.405 634 HG21 THR 88 1HG2 THR 88 -8.541 -10.004 1.037 635 HG22 THR 88 2HG2 THR 88 -6.942 -10.062 0.294 636 HG23 THR 88 3HG2 THR 88 -8.383 -10.306 -0.693 637 H VAL 89 H VAL 89 -4.926 -9.456 0.318 638 HA VAL 89 HA VAL 89 -3.910 -9.228 -2.433 639 HB VAL 89 HB VAL 89 -2.601 -10.480 -0.014 640 HG11 VAL 89 1HG1 VAL 89 -2.123 -10.883 -2.770 641 HG12 VAL 89 2HG1 VAL 89 -0.793 -9.906 -2.143 642 HG13 VAL 89 3HG1 VAL 89 -1.174 -11.461 -1.401 643 HG21 VAL 89 1HG2 VAL 89 -1.345 -8.172 -1.312 644 HG22 VAL 89 2HG2 VAL 89 -2.884 -7.819 -0.527 645 HG23 VAL 89 3HG2 VAL 89 -1.565 -8.531 0.401 646 H GLY 90 H GLY 90 -4.212 -10.837 -3.841 647 HA2 GLY 90 1HA GLY 90 -5.426 -13.321 -2.835 648 HA3 GLY 90 2HA GLY 90 -5.563 -12.710 -4.478 649 HA PRO 91 HA PRO 91 -2.442 -16.087 -4.596 650 HB2 PRO 91 1HB PRO 91 -3.265 -17.054 -6.996 651 HB3 PRO 91 2HB PRO 91 -4.008 -17.527 -5.463 652 HG2 PRO 91 1HG PRO 91 -4.935 -15.515 -7.477 653 HG3 PRO 91 2HG PRO 91 -5.878 -16.728 -6.591 654 HD2 PRO 91 1HD PRO 91 -5.808 -14.121 -5.862 655 HD3 PRO 91 2HD PRO 91 -5.983 -15.437 -4.684 656 H LEU 92 H LEU 92 -0.473 -15.872 -5.488 657 HA LEU 92 HA LEU 92 0.407 -13.640 -6.791 658 HB2 LEU 92 1HB LEU 92 2.068 -15.003 -5.926 659 HB3 LEU 92 2HB LEU 92 1.423 -16.448 -6.701 660 HG LEU 92 HG LEU 92 2.163 -15.308 -8.905 661 HD11 LEU 92 1HD1 LEU 92 3.095 -13.306 -8.713 662 HD12 LEU 92 2HD1 LEU 92 4.437 -14.062 -7.855 663 HD13 LEU 92 3HD1 LEU 92 3.071 -13.408 -6.952 664 HD21 LEU 92 1HD2 LEU 92 4.482 -16.195 -8.576 665 HD22 LEU 92 2HD2 LEU 92 3.191 -17.320 -8.153 666 HD23 LEU 92 3HD2 LEU 92 4.070 -16.467 -6.883 667 H GLY 93 H GLY 93 -0.086 -16.773 -8.439 668 HA2 GLY 93 1HA GLY 93 -1.692 -16.282 -10.469 669 HA3 GLY 93 2HA GLY 93 -0.297 -15.347 -10.985 670 H GLU 94 H GLU 94 -1.724 -18.442 -10.813 671 HA GLU 94 HA GLU 94 0.695 -19.926 -11.310 672 HB2 GLU 94 1HB GLU 94 -0.726 -21.862 -11.474 673 HB3 GLU 94 2HB GLU 94 -1.256 -20.894 -10.106 674 HG2 GLU 94 1HG GLU 94 -2.946 -19.879 -11.767 675 HG3 GLU 94 2HG GLU 94 -2.578 -21.291 -12.756 676 H GLY 95 H GLY 95 1.610 -20.331 -13.220 677 HA2 GLY 95 1HA GLY 95 -0.005 -20.232 -15.655 678 HA3 GLY 95 2HA GLY 95 1.329 -19.094 -15.533 679 H GLY 96 H GLY 96 3.308 -20.574 -14.390 680 HA2 GLY 96 1HA GLY 96 3.626 -23.152 -15.552 681 HA3 GLY 96 2HA GLY 96 4.437 -21.931 -16.523 682 H SER 97 H SER 97 6.040 -23.792 -15.582 683 HA SER 97 HA SER 97 7.789 -22.348 -13.837 684 HB2 SER 97 1HB SER 97 7.837 -23.860 -11.976 685 HB3 SER 97 2HB SER 97 6.150 -23.415 -12.239 686 HG SER 97 HG SER 97 6.483 -25.688 -11.922 687 H GLY 98 H GLY 98 9.700 -23.919 -13.191 688 HA2 GLY 98 1HA GLY 98 10.248 -25.673 -15.503 689 HA3 GLY 98 2HA GLY 98 11.438 -24.513 -14.931 690 HA PRO 99 HA PRO 99 11.586 -28.736 -12.666 691 HB2 PRO 99 1HB PRO 99 13.525 -29.970 -14.110 692 HB3 PRO 99 2HB PRO 99 11.803 -30.140 -14.471 693 HG2 PRO 99 1HG PRO 99 13.845 -28.375 -15.765 694 HG3 PRO 99 2HG PRO 99 12.571 -29.351 -16.519 695 HD2 PRO 99 1HD PRO 99 12.326 -26.682 -16.135 696 HD3 PRO 99 2HD PRO 99 10.937 -27.787 -16.079 697 H SER 100 H SER 100 12.977 -28.900 -10.996 698 HA SER 100 HA SER 100 15.244 -27.070 -10.935 699 HB2 SER 100 1HB SER 100 13.885 -26.920 -8.994 700 HB3 SER 100 2HB SER 100 13.818 -28.673 -8.812 701 HG SER 100 HG SER 100 16.215 -27.173 -8.617 702 H SER 101 H SER 101 16.993 -27.905 -11.913 703 HA SER 101 HA SER 101 18.016 -30.457 -10.885 704 HB2 SER 101 1HB SER 101 16.916 -30.723 -13.164 705 HB3 SER 101 2HB SER 101 18.207 -29.707 -13.805 706 HG SER 101 HG SER 101 19.697 -31.261 -12.966 707 H GLY 102 H GLY 102 20.245 -30.607 -10.722 708 HA2 GLY 102 1HA GLY 102 22.090 -28.823 -11.872 709 HA3 GLY 102 2HA GLY 102 21.660 -28.224 -10.276 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -12.447 3.502 -3.544 2 HA2 GLY 1 1HA GLY 1 -11.523 1.285 -2.091 3 HA3 GLY 1 2HA GLY 1 -12.418 2.639 -1.418 4 H SER 2 H SER 2 -12.951 -0.298 -3.361 5 HA SER 2 HA SER 2 -15.600 -0.556 -2.122 6 HB2 SER 2 1HB SER 2 -15.395 -0.596 -4.634 7 HB3 SER 2 2HB SER 2 -14.503 -2.110 -4.475 8 HG SER 2 HG SER 2 -17.200 -1.606 -4.200 9 H SER 3 H SER 3 -15.897 -1.977 -0.548 10 HA SER 3 HA SER 3 -13.790 -3.823 0.160 11 HB2 SER 3 1HB SER 3 -15.348 -2.417 1.740 12 HB3 SER 3 2HB SER 3 -16.456 -3.773 1.531 13 HG SER 3 HG SER 3 -13.783 -4.292 2.192 14 H GLY 4 H GLY 4 -13.731 -5.413 -1.400 15 HA2 GLY 4 1HA GLY 4 -14.322 -7.364 -2.455 16 HA3 GLY 4 2HA GLY 4 -15.375 -7.645 -1.076 17 H SER 5 H SER 5 -15.983 -8.454 -3.697 18 HA SER 5 HA SER 5 -18.593 -7.363 -3.968 19 HB2 SER 5 1HB SER 5 -18.369 -6.362 -6.188 20 HB3 SER 5 2HB SER 5 -17.315 -5.536 -5.040 21 HG SER 5 HG SER 5 -16.619 -7.387 -7.058 22 H SER 6 H SER 6 -19.913 -8.715 -5.101 23 HA SER 6 HA SER 6 -20.580 -10.741 -5.921 24 HB2 SER 6 1HB SER 6 -18.348 -10.031 -7.835 25 HB3 SER 6 2HB SER 6 -19.491 -11.345 -8.108 26 HG SER 6 HG SER 6 -21.086 -9.482 -7.666 27 H GLY 7 H GLY 7 -18.861 -11.003 -3.727 28 HA2 GLY 7 1HA GLY 7 -17.732 -12.663 -2.611 29 HA3 GLY 7 2HA GLY 7 -18.104 -13.719 -3.966 30 H ARG 8 H ARG 8 -16.517 -14.274 -5.346 31 HA ARG 8 HA ARG 8 -13.828 -13.727 -4.655 32 HB2 ARG 8 1HB ARG 8 -15.191 -15.160 -6.897 33 HB3 ARG 8 2HB ARG 8 -13.479 -14.784 -7.045 34 HG2 ARG 8 1HG ARG 8 -13.613 -16.973 -6.183 35 HG3 ARG 8 2HG ARG 8 -13.151 -15.937 -4.831 36 HD2 ARG 8 1HD ARG 8 -14.799 -17.286 -3.911 37 HD3 ARG 8 2HD ARG 8 -15.684 -15.825 -4.349 38 HE ARG 8 HE ARG 8 -15.703 -17.830 -6.403 39 HH11 ARG 8 1HH1 ARG 8 -17.240 -16.720 -3.483 40 HH12 ARG 8 2HH1 ARG 8 -18.759 -17.472 -3.842 41 HH21 ARG 8 1HH2 ARG 8 -17.698 -18.824 -6.886 42 HH22 ARG 8 2HH2 ARG 8 -19.018 -18.669 -5.777 43 H ALA 9 H ALA 9 -13.719 -11.424 -4.686 44 HA ALA 9 HA ALA 9 -14.068 -10.031 -7.198 45 HB1 ALA 9 1HB ALA 9 -14.552 -8.429 -5.728 46 HB2 ALA 9 2HB ALA 9 -13.779 -9.301 -4.404 47 HB3 ALA 9 3HB ALA 9 -12.814 -8.280 -5.471 48 HA PRO 10 HA PRO 10 -9.943 -10.140 -8.688 49 HB2 PRO 10 1HB PRO 10 -9.597 -7.620 -9.637 50 HB3 PRO 10 2HB PRO 10 -10.637 -8.809 -10.428 51 HG2 PRO 10 1HG PRO 10 -11.382 -6.568 -8.589 52 HG3 PRO 10 2HG PRO 10 -12.169 -7.094 -10.089 53 HD2 PRO 10 1HD PRO 10 -13.110 -7.760 -7.639 54 HD3 PRO 10 2HD PRO 10 -13.277 -8.826 -9.048 55 H SER 11 H SER 11 -8.098 -10.182 -7.584 56 HA SER 11 HA SER 11 -7.670 -8.397 -5.355 57 HB2 SER 11 1HB SER 11 -5.739 -9.766 -4.858 58 HB3 SER 11 2HB SER 11 -7.084 -10.828 -5.272 59 HG SER 11 HG SER 11 -4.773 -10.971 -6.313 60 H VAL 12 H VAL 12 -7.022 -6.389 -5.804 61 HA VAL 12 HA VAL 12 -5.612 -5.603 -8.110 62 HB VAL 12 HB VAL 12 -5.222 -3.463 -6.920 63 HG11 VAL 12 1HG1 VAL 12 -7.275 -2.873 -7.535 64 HG12 VAL 12 2HG1 VAL 12 -7.640 -4.587 -7.741 65 HG13 VAL 12 3HG1 VAL 12 -7.996 -3.786 -6.210 66 HG21 VAL 12 1HG2 VAL 12 -6.187 -5.086 -4.609 67 HG22 VAL 12 2HG2 VAL 12 -4.862 -3.926 -4.691 68 HG23 VAL 12 3HG2 VAL 12 -6.531 -3.357 -4.658 69 H ALA 13 H ALA 13 -4.551 -6.591 -4.916 70 HA ALA 13 HA ALA 13 -1.756 -6.109 -5.689 71 HB1 ALA 13 1HB ALA 13 -1.912 -5.114 -3.649 72 HB2 ALA 13 2HB ALA 13 -3.180 -6.205 -3.088 73 HB3 ALA 13 3HB ALA 13 -1.502 -6.748 -3.126 74 H THR 14 H THR 14 -0.357 -7.749 -5.972 75 HA THR 14 HA THR 14 -1.413 -10.475 -5.687 76 HB THR 14 HB THR 14 1.040 -9.649 -7.242 77 HG1 THR 14 1HG THR 14 -1.671 -9.885 -8.094 78 HG21 THR 14 1HG2 THR 14 1.082 -11.974 -6.860 79 HG22 THR 14 2HG2 THR 14 0.409 -11.794 -8.480 80 HG23 THR 14 3HG2 THR 14 -0.656 -12.131 -7.115 81 H VAL 15 H VAL 15 -0.323 -12.050 -4.563 82 HA VAL 15 HA VAL 15 1.233 -11.274 -2.360 83 HB VAL 15 HB VAL 15 -0.089 -13.329 -2.353 84 HG11 VAL 15 1HG1 VAL 15 -0.005 -14.828 -3.990 85 HG12 VAL 15 2HG1 VAL 15 1.159 -13.794 -4.821 86 HG13 VAL 15 3HG1 VAL 15 1.724 -15.069 -3.740 87 HG21 VAL 15 1HG2 VAL 15 1.494 -14.758 -1.230 88 HG22 VAL 15 2HG2 VAL 15 2.845 -13.942 -2.017 89 HG23 VAL 15 3HG2 VAL 15 1.858 -13.077 -0.839 90 H GLY 16 H GLY 16 3.406 -11.337 -1.934 91 HA2 GLY 16 1HA GLY 16 5.674 -11.533 -2.327 92 HA3 GLY 16 2HA GLY 16 5.300 -12.473 -3.764 93 H SER 17 H SER 17 3.830 -10.723 -5.259 94 HA SER 17 HA SER 17 5.778 -9.184 -6.518 95 HB2 SER 17 1HB SER 17 4.125 -8.552 -7.999 96 HB3 SER 17 2HB SER 17 3.365 -9.971 -7.277 97 HG SER 17 HG SER 17 2.823 -7.247 -6.855 98 H ILE 18 H ILE 18 6.418 -7.087 -6.398 99 HA ILE 18 HA ILE 18 6.141 -5.709 -3.964 100 HB ILE 18 HB ILE 18 7.005 -4.557 -6.619 101 HG12 ILE 18 1HG1 ILE 18 8.306 -6.556 -6.041 102 HG13 ILE 18 2HG1 ILE 18 9.290 -5.103 -5.901 103 HG21 ILE 18 1HG2 ILE 18 8.212 -2.923 -5.279 104 HG22 ILE 18 2HG2 ILE 18 6.488 -2.879 -4.912 105 HG23 ILE 18 3HG2 ILE 18 7.606 -3.669 -3.800 106 HD11 ILE 18 1HD1 ILE 18 9.626 -6.742 -4.076 107 HD12 ILE 18 2HD1 ILE 18 9.120 -5.147 -3.518 108 HD13 ILE 18 3HD1 ILE 18 7.956 -6.470 -3.580 109 H CYS 19 H CYS 19 4.466 -4.606 -3.219 110 HA CYS 19 HA CYS 19 2.446 -3.619 -5.087 111 HB2 CYS 19 1HB CYS 19 1.944 -5.029 -2.974 112 HB3 CYS 19 2HB CYS 19 2.220 -3.533 -2.090 113 HG CYS 19 HG CYS 19 0.225 -2.285 -3.960 114 H ASP 20 H ASP 20 2.029 -1.509 -5.421 115 HA ASP 20 HA ASP 20 3.555 0.446 -3.829 116 HB2 ASP 20 1HB ASP 20 3.941 1.766 -5.775 117 HB3 ASP 20 2HB ASP 20 4.368 0.111 -6.202 118 H LEU 21 H LEU 21 2.504 2.249 -3.128 119 HA LEU 21 HA LEU 21 -0.394 2.324 -3.616 120 HB2 LEU 21 1HB LEU 21 0.758 2.115 -1.258 121 HB3 LEU 21 2HB LEU 21 0.909 3.864 -1.424 122 HG LEU 21 HG LEU 21 -1.572 3.966 -1.731 123 HD11 LEU 21 1HD1 LEU 21 -1.455 1.323 -2.208 124 HD12 LEU 21 2HD1 LEU 21 -2.910 2.155 -1.659 125 HD13 LEU 21 3HD1 LEU 21 -1.888 1.308 -0.498 126 HD21 LEU 21 1HD2 LEU 21 -1.669 4.424 0.441 127 HD22 LEU 21 2HD2 LEU 21 -0.047 3.747 0.590 128 HD23 LEU 21 3HD2 LEU 21 -1.458 2.726 0.872 129 H ASN 22 H ASN 22 -1.080 3.830 -4.974 130 HA ASN 22 HA ASN 22 0.589 6.033 -5.753 131 HB2 ASN 22 1HB ASN 22 -2.308 5.816 -6.500 132 HB3 ASN 22 2HB ASN 22 -0.958 6.427 -7.451 133 HD21 ASN 22 1HD2 ASN 22 0.846 4.528 -7.503 134 HD22 ASN 22 2HD2 ASN 22 0.223 3.056 -8.159 135 H LEU 23 H LEU 23 0.862 7.530 -4.181 136 HA LEU 23 HA LEU 23 -1.557 8.912 -3.246 137 HB2 LEU 23 1HB LEU 23 0.695 7.806 -1.643 138 HB3 LEU 23 2HB LEU 23 -0.054 9.312 -1.117 139 HG LEU 23 HG LEU 23 -1.761 6.917 -1.650 140 HD11 LEU 23 1HD1 LEU 23 -0.252 5.883 -0.220 141 HD12 LEU 23 2HD1 LEU 23 -1.486 6.500 0.878 142 HD13 LEU 23 3HD1 LEU 23 0.043 7.360 0.698 143 HD21 LEU 23 1HD2 LEU 23 -2.608 9.278 -1.167 144 HD22 LEU 23 2HD2 LEU 23 -2.029 9.018 0.479 145 HD23 LEU 23 3HD2 LEU 23 -3.272 7.963 -0.197 146 H LYS 24 H LYS 24 -1.272 11.140 -2.734 147 HA LYS 24 HA LYS 24 1.257 12.413 -3.307 148 HB2 LYS 24 1HB LYS 24 0.397 13.831 -5.110 149 HB3 LYS 24 2HB LYS 24 0.348 12.132 -5.561 150 HG2 LYS 24 1HG LYS 24 -2.076 12.137 -4.879 151 HG3 LYS 24 2HG LYS 24 -1.949 13.893 -4.754 152 HD2 LYS 24 1HD LYS 24 -1.493 14.122 -7.060 153 HD3 LYS 24 2HD LYS 24 -1.182 12.395 -7.247 154 HE2 LYS 24 1HE LYS 24 -3.864 13.354 -6.332 155 HE3 LYS 24 2HE LYS 24 -3.447 13.396 -8.045 156 HZ1 LYS 24 1HZ LYS 24 -3.515 11.164 -8.209 157 HZ2 LYS 24 2HZ LYS 24 -4.542 11.291 -6.871 158 HZ3 LYS 24 3HZ LYS 24 -2.910 10.901 -6.650 159 H ILE 25 H ILE 25 1.452 13.866 -1.746 160 HA ILE 25 HA ILE 25 -0.764 15.670 -1.170 161 HB ILE 25 HB ILE 25 0.611 14.113 1.022 162 HG12 ILE 25 1HG1 ILE 25 -1.923 13.438 1.352 163 HG13 ILE 25 2HG1 ILE 25 -2.019 13.807 -0.367 164 HG21 ILE 25 1HG2 ILE 25 -1.797 15.806 1.453 165 HG22 ILE 25 2HG2 ILE 25 -0.498 15.385 2.567 166 HG23 ILE 25 3HG2 ILE 25 -0.224 16.592 1.310 167 HD11 ILE 25 1HD1 ILE 25 -0.976 11.925 -0.936 168 HD12 ILE 25 2HD1 ILE 25 0.238 12.104 0.331 169 HD13 ILE 25 3HD1 ILE 25 -1.333 11.398 0.708 170 HA PRO 26 HA PRO 26 2.998 18.155 -1.366 171 HB2 PRO 26 1HB PRO 26 1.684 20.505 -1.716 172 HB3 PRO 26 2HB PRO 26 1.981 19.365 -3.034 173 HG2 PRO 26 1HG PRO 26 -0.498 19.774 -1.406 174 HG3 PRO 26 2HG PRO 26 -0.335 19.529 -3.155 175 HD2 PRO 26 1HD PRO 26 -1.053 17.538 -1.466 176 HD3 PRO 26 2HD PRO 26 -0.110 17.245 -2.942 177 H GLU 27 H GLU 27 0.077 19.301 0.343 178 HA GLU 27 HA GLU 27 1.114 21.066 2.108 179 HB2 GLU 27 1HB GLU 27 -1.295 19.948 1.870 180 HB3 GLU 27 2HB GLU 27 -0.739 19.051 3.277 181 HG2 GLU 27 1HG GLU 27 -1.710 20.792 4.340 182 HG3 GLU 27 2HG GLU 27 -0.106 21.485 4.109 183 H ILE 28 H ILE 28 1.416 17.571 2.254 184 HA ILE 28 HA ILE 28 3.020 17.814 4.705 185 HB ILE 28 HB ILE 28 1.934 15.289 3.458 186 HG12 ILE 28 1HG1 ILE 28 0.850 16.613 5.931 187 HG13 ILE 28 2HG1 ILE 28 0.243 17.041 4.335 188 HG21 ILE 28 1HG2 ILE 28 3.873 14.903 4.848 189 HG22 ILE 28 2HG2 ILE 28 3.159 15.848 6.154 190 HG23 ILE 28 3HG2 ILE 28 2.427 14.318 5.671 191 HD11 ILE 28 1HD1 ILE 28 -0.237 14.660 5.959 192 HD12 ILE 28 2HD1 ILE 28 -1.230 15.407 4.706 193 HD13 ILE 28 3HD1 ILE 28 0.095 14.332 4.258 194 H ASN 29 H ASN 29 5.041 16.728 4.858 195 HA ASN 29 HA ASN 29 6.463 16.654 2.313 196 HB2 ASN 29 1HB ASN 29 7.213 17.835 4.553 197 HB3 ASN 29 2HB ASN 29 7.823 16.230 4.942 198 HD21 ASN 29 1HD2 ASN 29 9.948 16.385 4.717 199 HD22 ASN 29 2HD2 ASN 29 10.768 16.964 3.311 200 H SER 30 H SER 30 7.086 14.834 1.344 201 HA SER 30 HA SER 30 6.164 12.344 1.863 202 HB2 SER 30 1HB SER 30 7.245 12.577 -0.196 203 HB3 SER 30 2HB SER 30 8.699 13.259 0.534 204 HG SER 30 HG SER 30 9.455 11.317 0.797 205 H SER 31 H SER 31 9.160 13.736 3.140 206 HA SER 31 HA SER 31 9.956 11.392 4.543 207 HB2 SER 31 1HB SER 31 10.771 14.288 4.878 208 HB3 SER 31 2HB SER 31 11.541 12.937 5.710 209 HG SER 31 HG SER 31 11.971 13.845 3.227 210 H ASP 32 H ASP 32 8.265 14.358 5.488 211 HA ASP 32 HA ASP 32 8.093 13.838 8.236 212 HB2 ASP 32 1HB ASP 32 6.371 15.458 6.366 213 HB3 ASP 32 2HB ASP 32 6.040 15.361 8.094 214 H MET 33 H MET 33 6.215 12.671 5.535 215 HA MET 33 HA MET 33 3.948 11.747 6.879 216 HB2 MET 33 1HB MET 33 5.331 10.984 4.341 217 HB3 MET 33 2HB MET 33 4.038 9.957 4.945 218 HG2 MET 33 1HG MET 33 2.481 11.787 4.869 219 HG3 MET 33 2HG MET 33 3.766 12.905 4.417 220 HE1 MET 33 1HE MET 33 1.949 9.545 1.970 221 HE2 MET 33 2HE MET 33 3.625 9.213 2.404 222 HE3 MET 33 3HE MET 33 2.431 9.518 3.666 223 H SER 34 H SER 34 3.449 9.273 6.945 224 HA SER 34 HA SER 34 5.641 7.587 7.737 225 HB2 SER 34 1HB SER 34 4.807 7.208 10.047 226 HB3 SER 34 2HB SER 34 5.383 8.856 9.799 227 HG SER 34 HG SER 34 3.100 8.220 10.770 228 H ALA 35 H ALA 35 5.113 5.745 6.782 229 HA ALA 35 HA ALA 35 2.287 4.913 6.773 230 HB1 ALA 35 1HB ALA 35 3.378 3.338 4.888 231 HB2 ALA 35 2HB ALA 35 2.694 4.929 4.552 232 HB3 ALA 35 3HB ALA 35 4.436 4.743 4.759 233 H HIS 36 H HIS 36 1.807 2.675 7.084 234 HA HIS 36 HA HIS 36 3.902 0.939 8.089 235 HB2 HIS 36 1HB HIS 36 1.560 1.706 9.845 236 HB3 HIS 36 2HB HIS 36 2.811 0.529 10.238 237 HD1 HIS 36 1HD HIS 36 2.016 4.094 10.438 238 HD2 HIS 36 2HD HIS 36 5.423 1.726 10.645 239 HE1 HIS 36 1HE HIS 36 3.788 5.554 11.463 240 HE2 HIS 36 2HE HIS 36 5.863 4.127 11.500 241 H VAL 37 H VAL 37 3.544 -1.041 7.347 242 HA VAL 37 HA VAL 37 0.941 -1.701 6.232 243 HB VAL 37 HB VAL 37 3.555 -3.214 6.175 244 HG11 VAL 37 1HG1 VAL 37 1.588 -3.967 4.188 245 HG12 VAL 37 2HG1 VAL 37 2.515 -4.978 5.298 246 HG13 VAL 37 3HG1 VAL 37 1.002 -4.242 5.828 247 HG21 VAL 37 1HG2 VAL 37 3.985 -1.533 4.714 248 HG22 VAL 37 2HG2 VAL 37 3.075 -2.577 3.622 249 HG23 VAL 37 3HG2 VAL 37 2.278 -1.214 4.406 250 H THR 38 H THR 38 -0.460 -2.241 7.828 251 HA THR 38 HA THR 38 0.344 -3.952 10.017 252 HB THR 38 HB THR 38 -2.450 -3.022 9.341 253 HG1 THR 38 1HG THR 38 -1.182 -1.191 9.618 254 HG21 THR 38 1HG2 THR 38 -2.531 -3.207 11.944 255 HG22 THR 38 2HG2 THR 38 -1.150 -4.282 11.723 256 HG23 THR 38 3HG2 THR 38 -2.694 -4.660 10.958 257 H SER 39 H SER 39 -0.373 -6.039 10.411 258 HA SER 39 HA SER 39 -1.367 -7.461 8.038 259 HB2 SER 39 1HB SER 39 0.304 -8.335 10.389 260 HB3 SER 39 2HB SER 39 -0.500 -9.506 9.344 261 HG SER 39 HG SER 39 1.506 -7.632 8.673 262 HA PRO 40 HA PRO 40 -5.170 -8.513 9.957 263 HB2 PRO 40 1HB PRO 40 -5.598 -11.007 8.974 264 HB3 PRO 40 2HB PRO 40 -5.745 -9.547 7.988 265 HG2 PRO 40 1HG PRO 40 -3.467 -11.479 8.185 266 HG3 PRO 40 2HG PRO 40 -4.168 -10.720 6.744 267 HD2 PRO 40 1HD PRO 40 -1.883 -9.831 7.893 268 HD3 PRO 40 2HD PRO 40 -3.025 -8.746 7.073 269 H SER 41 H SER 41 -2.308 -10.156 10.692 270 HA SER 41 HA SER 41 -3.580 -11.893 12.676 271 HB2 SER 41 1HB SER 41 -1.382 -12.934 12.916 272 HB3 SER 41 2HB SER 41 -1.837 -12.869 11.213 273 HG SER 41 HG SER 41 -0.202 -10.928 12.475 274 H GLY 42 H GLY 42 -1.900 -8.913 12.398 275 HA2 GLY 42 1HA GLY 42 -2.164 -7.430 14.356 276 HA3 GLY 42 2HA GLY 42 -1.662 -8.795 15.342 277 H ARG 43 H ARG 43 -0.097 -8.233 12.304 278 HA ARG 43 HA ARG 43 2.267 -7.227 13.749 279 HB2 ARG 43 1HB ARG 43 2.368 -9.594 12.790 280 HB3 ARG 43 2HB ARG 43 2.361 -8.836 11.203 281 HG2 ARG 43 1HG ARG 43 4.381 -7.509 12.015 282 HG3 ARG 43 2HG ARG 43 4.451 -8.668 13.344 283 HD2 ARG 43 1HD ARG 43 4.429 -9.459 10.438 284 HD3 ARG 43 2HD ARG 43 5.906 -9.207 11.367 285 HE ARG 43 HE ARG 43 4.345 -11.007 12.790 286 HH11 ARG 43 1HH1 ARG 43 5.958 -10.845 9.710 287 HH12 ARG 43 2HH1 ARG 43 6.235 -12.553 9.618 288 HH21 ARG 43 1HH2 ARG 43 4.703 -13.257 12.681 289 HH22 ARG 43 2HH2 ARG 43 5.520 -13.924 11.309 290 H VAL 44 H VAL 44 2.947 -5.277 13.169 291 HA VAL 44 HA VAL 44 2.305 -4.302 10.464 292 HB VAL 44 HB VAL 44 0.813 -3.168 11.976 293 HG11 VAL 44 1HG1 VAL 44 3.196 -2.177 13.524 294 HG12 VAL 44 2HG1 VAL 44 1.486 -2.004 13.926 295 HG13 VAL 44 3HG1 VAL 44 2.256 -3.589 14.006 296 HG21 VAL 44 1HG2 VAL 44 2.571 -1.907 10.265 297 HG22 VAL 44 2HG2 VAL 44 1.109 -1.202 10.957 298 HG23 VAL 44 3HG2 VAL 44 2.669 -0.941 11.737 299 H THR 45 H THR 45 3.900 -3.244 9.391 300 HA THR 45 HA THR 45 6.435 -2.811 10.832 301 HB THR 45 HB THR 45 7.488 -3.256 8.501 302 HG1 THR 45 1HG THR 45 6.154 -4.919 7.401 303 HG21 THR 45 1HG2 THR 45 6.417 -5.306 10.407 304 HG22 THR 45 2HG2 THR 45 8.076 -4.753 10.181 305 HG23 THR 45 3HG2 THR 45 7.324 -5.801 8.979 306 H GLU 46 H GLU 46 7.947 -1.429 9.285 307 HA GLU 46 HA GLU 46 6.416 0.996 8.698 308 HB2 GLU 46 1HB GLU 46 8.428 0.996 10.257 309 HB3 GLU 46 2HB GLU 46 9.417 0.734 8.828 310 HG2 GLU 46 1HG GLU 46 8.810 2.827 7.910 311 HG3 GLU 46 2HG GLU 46 7.529 3.053 9.099 312 H ALA 47 H ALA 47 6.127 1.734 6.693 313 HA ALA 47 HA ALA 47 7.354 0.257 4.488 314 HB1 ALA 47 1HB ALA 47 5.004 2.132 4.620 315 HB2 ALA 47 2HB ALA 47 5.661 1.511 3.105 316 HB3 ALA 47 3HB ALA 47 4.997 0.397 4.300 317 H GLU 48 H GLU 48 8.118 1.451 2.590 318 HA GLU 48 HA GLU 48 9.546 3.883 3.409 319 HB2 GLU 48 1HB GLU 48 11.050 2.168 2.695 320 HB3 GLU 48 2HB GLU 48 10.099 1.850 1.251 321 HG2 GLU 48 1HG GLU 48 10.761 3.890 0.254 322 HG3 GLU 48 2HG GLU 48 11.465 4.475 1.760 323 H ILE 49 H ILE 49 9.474 5.750 2.198 324 HA ILE 49 HA ILE 49 7.387 5.831 0.119 325 HB ILE 49 HB ILE 49 8.297 8.138 1.838 326 HG12 ILE 49 1HG1 ILE 49 5.623 6.840 2.144 327 HG13 ILE 49 2HG1 ILE 49 7.017 6.081 2.904 328 HG21 ILE 49 1HG2 ILE 49 6.687 7.938 -0.522 329 HG22 ILE 49 2HG2 ILE 49 5.707 8.521 0.822 330 HG23 ILE 49 3HG2 ILE 49 7.183 9.375 0.371 331 HD11 ILE 49 1HD1 ILE 49 5.522 8.437 3.685 332 HD12 ILE 49 2HD1 ILE 49 6.611 7.417 4.627 333 HD13 ILE 49 3HD1 ILE 49 7.262 8.720 3.632 334 H VAL 50 H VAL 50 8.936 5.300 -1.510 335 HA VAL 50 HA VAL 50 11.314 6.688 -1.997 336 HB VAL 50 HB VAL 50 9.472 5.347 -3.982 337 HG11 VAL 50 1HG1 VAL 50 11.217 7.053 -4.833 338 HG12 VAL 50 2HG1 VAL 50 12.400 5.817 -4.401 339 HG13 VAL 50 3HG1 VAL 50 11.145 5.461 -5.588 340 HG21 VAL 50 1HG2 VAL 50 11.459 4.373 -2.056 341 HG22 VAL 50 2HG2 VAL 50 10.114 3.530 -2.823 342 HG23 VAL 50 3HG2 VAL 50 11.637 3.730 -3.688 343 HA PRO 51 HA PRO 51 9.924 10.643 -3.369 344 HB2 PRO 51 1HB PRO 51 12.183 11.426 -4.654 345 HB3 PRO 51 2HB PRO 51 12.048 11.378 -2.892 346 HG2 PRO 51 1HG PRO 51 13.294 9.390 -4.752 347 HG3 PRO 51 2HG PRO 51 13.892 9.994 -3.195 348 HD2 PRO 51 1HD PRO 51 12.662 7.595 -3.452 349 HD3 PRO 51 2HD PRO 51 12.532 8.583 -1.982 350 H MET 52 H MET 52 8.325 9.865 -4.857 351 HA MET 52 HA MET 52 8.983 9.032 -7.495 352 HB2 MET 52 1HB MET 52 6.493 9.760 -6.038 353 HB3 MET 52 2HB MET 52 6.443 9.793 -7.795 354 HG2 MET 52 1HG MET 52 7.362 7.417 -6.201 355 HG3 MET 52 2HG MET 52 5.702 7.653 -6.743 356 HE1 MET 52 1HE MET 52 7.887 4.922 -8.049 357 HE2 MET 52 2HE MET 52 9.181 5.895 -8.750 358 HE3 MET 52 3HE MET 52 8.717 6.127 -7.064 359 H GLY 53 H GLY 53 7.999 12.124 -6.074 360 HA2 GLY 53 1HA GLY 53 9.287 13.560 -8.212 361 HA3 GLY 53 2HA GLY 53 7.535 13.684 -8.253 362 H LYS 54 H LYS 54 7.114 15.708 -7.620 363 HA LYS 54 HA LYS 54 8.637 16.998 -5.541 364 HB2 LYS 54 1HB LYS 54 6.441 17.782 -7.393 365 HB3 LYS 54 2HB LYS 54 6.636 18.717 -5.916 366 HG2 LYS 54 1HG LYS 54 9.156 18.766 -6.697 367 HG3 LYS 54 2HG LYS 54 8.419 18.500 -8.278 368 HD2 LYS 54 1HD LYS 54 6.892 20.456 -7.724 369 HD3 LYS 54 2HD LYS 54 7.982 20.791 -6.377 370 HE2 LYS 54 1HE LYS 54 8.782 22.153 -8.091 371 HE3 LYS 54 2HE LYS 54 9.847 20.749 -8.140 372 HZ1 LYS 54 1HZ LYS 54 9.254 21.185 -10.352 373 HZ2 LYS 54 2HZ LYS 54 7.621 21.411 -9.975 374 HZ3 LYS 54 3HZ LYS 54 8.299 19.863 -9.903 375 H ASN 55 H ASN 55 5.119 16.511 -5.888 376 HA ASN 55 HA ASN 55 4.990 16.136 -2.968 377 HB2 ASN 55 1HB ASN 55 2.555 16.860 -3.276 378 HB3 ASN 55 2HB ASN 55 3.784 18.107 -3.465 379 HD21 ASN 55 1HD2 ASN 55 2.834 19.459 -4.856 380 HD22 ASN 55 2HD2 ASN 55 2.290 19.026 -6.438 381 H SER 56 H SER 56 5.577 14.008 -4.745 382 HA SER 56 HA SER 56 3.081 12.448 -4.707 383 HB2 SER 56 1HB SER 56 5.599 11.787 -6.242 384 HB3 SER 56 2HB SER 56 4.001 11.067 -6.437 385 HG SER 56 HG SER 56 4.257 13.831 -6.766 386 H HIS 57 H HIS 57 3.160 10.254 -3.992 387 HA HIS 57 HA HIS 57 5.497 9.512 -2.386 388 HB2 HIS 57 1HB HIS 57 2.678 9.280 -1.327 389 HB3 HIS 57 2HB HIS 57 4.179 8.968 -0.459 390 HD1 HIS 57 1HD HIS 57 5.728 11.192 -0.114 391 HD2 HIS 57 2HD HIS 57 1.716 11.796 -1.008 392 HE1 HIS 57 1HE HIS 57 5.239 13.566 0.558 393 HE2 HIS 57 2HE HIS 57 2.785 13.881 0.088 394 H CYS 58 H CYS 58 5.984 7.381 -2.432 395 HA CYS 58 HA CYS 58 4.016 5.541 -3.610 396 HB2 CYS 58 1HB CYS 58 5.921 6.389 -5.181 397 HB3 CYS 58 2HB CYS 58 6.934 5.284 -4.261 398 HG CYS 58 HG CYS 58 4.057 4.107 -5.627 399 H VAL 59 H VAL 59 3.546 4.152 -2.038 400 HA VAL 59 HA VAL 59 5.558 3.401 -0.074 401 HB VAL 59 HB VAL 59 2.652 2.593 -0.258 402 HG11 VAL 59 1HG1 VAL 59 3.946 2.492 2.347 403 HG12 VAL 59 2HG1 VAL 59 2.943 1.290 1.533 404 HG13 VAL 59 3HG1 VAL 59 4.668 1.388 1.177 405 HG21 VAL 59 1HG2 VAL 59 2.690 4.922 0.106 406 HG22 VAL 59 2HG2 VAL 59 2.455 4.200 1.698 407 HG23 VAL 59 3HG2 VAL 59 4.044 4.804 1.230 408 H ARG 60 H ARG 60 6.942 1.874 -0.725 409 HA ARG 60 HA ARG 60 5.970 -0.346 -2.367 410 HB2 ARG 60 1HB ARG 60 7.913 0.487 -3.336 411 HB3 ARG 60 2HB ARG 60 8.675 0.798 -1.781 412 HG2 ARG 60 1HG ARG 60 9.219 -1.464 -1.473 413 HG3 ARG 60 2HG ARG 60 8.122 -1.986 -2.753 414 HD2 ARG 60 1HD ARG 60 10.710 -0.472 -3.056 415 HD3 ARG 60 2HD ARG 60 10.364 -2.119 -3.583 416 HE ARG 60 HE ARG 60 8.539 -0.473 -4.861 417 HH11 ARG 60 1HH1 ARG 60 11.994 -0.895 -4.754 418 HH12 ARG 60 2HH1 ARG 60 12.242 -0.345 -6.378 419 HH21 ARG 60 1HH2 ARG 60 8.853 0.252 -7.001 420 HH22 ARG 60 2HH2 ARG 60 10.455 0.307 -7.655 421 H PHE 61 H PHE 61 5.500 -2.239 -1.482 422 HA PHE 61 HA PHE 61 7.028 -3.282 0.736 423 HB2 PHE 61 1HB PHE 61 5.133 -3.594 2.233 424 HB3 PHE 61 2HB PHE 61 5.332 -1.883 1.869 425 HD1 PHE 61 1HD PHE 61 3.475 -4.864 0.613 426 HD2 PHE 61 2HD PHE 61 3.464 -0.667 1.324 427 HE1 PHE 61 1HE PHE 61 1.126 -4.751 -0.112 428 HE2 PHE 61 2HE PHE 61 1.115 -0.548 0.601 429 HZ PHE 61 HZ PHE 61 -0.057 -2.591 -0.117 430 H VAL 62 H VAL 62 6.316 -5.515 1.311 431 HA VAL 62 HA VAL 62 5.250 -6.871 -1.077 432 HB VAL 62 HB VAL 62 7.135 -7.948 1.025 433 HG11 VAL 62 1HG1 VAL 62 5.717 -9.214 -1.278 434 HG12 VAL 62 2HG1 VAL 62 7.316 -9.795 -0.809 435 HG13 VAL 62 3HG1 VAL 62 5.988 -9.832 0.352 436 HG21 VAL 62 1HG2 VAL 62 8.182 -8.010 -1.625 437 HG22 VAL 62 2HG2 VAL 62 7.620 -6.375 -1.275 438 HG23 VAL 62 3HG2 VAL 62 8.796 -7.150 -0.214 439 HA PRO 63 HA PRO 63 1.850 -7.833 1.681 440 HB2 PRO 63 1HB PRO 63 0.329 -9.030 -0.222 441 HB3 PRO 63 2HB PRO 63 0.460 -7.274 -0.061 442 HG2 PRO 63 1HG PRO 63 1.875 -9.114 -1.952 443 HG3 PRO 63 2HG PRO 63 1.142 -7.531 -2.269 444 HD2 PRO 63 1HD PRO 63 3.807 -7.859 -1.920 445 HD3 PRO 63 2HD PRO 63 2.954 -6.383 -1.425 446 H GLN 64 H GLN 64 0.603 -9.871 2.147 447 HA GLN 64 HA GLN 64 2.440 -12.159 2.045 448 HB2 GLN 64 1HB GLN 64 0.219 -11.408 3.935 449 HB3 GLN 64 2HB GLN 64 0.901 -13.029 3.902 450 HG2 GLN 64 1HG GLN 64 2.446 -10.499 4.426 451 HG3 GLN 64 2HG GLN 64 1.885 -11.633 5.654 452 HE21 GLN 64 1HE2 GLN 64 4.070 -11.169 2.968 453 HE22 GLN 64 2HE2 GLN 64 5.144 -12.462 3.365 454 H GLU 65 H GLU 65 1.217 -14.341 2.156 455 HA GLU 65 HA GLU 65 -0.431 -14.473 -0.210 456 HB2 GLU 65 1HB GLU 65 -0.220 -16.868 -0.015 457 HB3 GLU 65 2HB GLU 65 1.355 -16.135 0.253 458 HG2 GLU 65 1HG GLU 65 1.340 -17.645 1.947 459 HG3 GLU 65 2HG GLU 65 0.613 -16.269 2.774 460 H MET 66 H MET 66 -2.568 -14.346 -0.206 461 HA MET 66 HA MET 66 -4.728 -14.275 0.515 462 HB2 MET 66 1HB MET 66 -3.739 -16.723 1.980 463 HB3 MET 66 2HB MET 66 -5.430 -16.246 1.925 464 HG2 MET 66 1HG MET 66 -5.389 -17.731 0.209 465 HG3 MET 66 2HG MET 66 -5.005 -16.252 -0.668 466 HE1 MET 66 1HE MET 66 -1.661 -15.985 -1.287 467 HE2 MET 66 2HE MET 66 -2.350 -16.920 -2.614 468 HE3 MET 66 3HE MET 66 -3.328 -15.705 -1.790 469 H GLY 67 H GLY 67 -3.263 -12.413 1.805 470 HA2 GLY 67 1HA GLY 67 -4.446 -12.464 4.503 471 HA3 GLY 67 2HA GLY 67 -2.762 -12.011 4.291 472 H VAL 68 H VAL 68 -5.548 -10.687 5.005 473 HA VAL 68 HA VAL 68 -5.500 -8.442 3.156 474 HB VAL 68 HB VAL 68 -7.259 -8.902 5.570 475 HG11 VAL 68 1HG1 VAL 68 -8.295 -7.185 3.480 476 HG12 VAL 68 2HG1 VAL 68 -8.165 -6.898 5.217 477 HG13 VAL 68 3HG1 VAL 68 -6.793 -6.560 4.161 478 HG21 VAL 68 1HG2 VAL 68 -8.983 -9.520 3.924 479 HG22 VAL 68 2HG2 VAL 68 -7.778 -9.406 2.640 480 HG23 VAL 68 3HG2 VAL 68 -7.610 -10.627 3.901 481 H HIS 69 H HIS 69 -4.080 -6.867 3.475 482 HA HIS 69 HA HIS 69 -3.290 -6.199 6.227 483 HB2 HIS 69 1HB HIS 69 -1.875 -5.372 3.692 484 HB3 HIS 69 2HB HIS 69 -1.259 -5.299 5.341 485 HD1 HIS 69 1HD HIS 69 -2.565 -8.062 3.058 486 HD2 HIS 69 2HD HIS 69 0.463 -7.315 5.803 487 HE1 HIS 69 1HE HIS 69 -1.190 -10.167 3.132 488 HE2 HIS 69 2HE HIS 69 0.585 -9.721 4.862 489 H THR 70 H THR 70 -2.668 -3.810 6.476 490 HA THR 70 HA THR 70 -4.459 -2.047 4.969 491 HB THR 70 HB THR 70 -4.321 -1.814 7.964 492 HG1 THR 70 1HG THR 70 -5.860 -3.564 6.397 493 HG21 THR 70 1HG2 THR 70 -5.134 0.094 6.584 494 HG22 THR 70 2HG2 THR 70 -6.347 -0.538 7.696 495 HG23 THR 70 3HG2 THR 70 -6.425 -0.945 5.982 496 H VAL 71 H VAL 71 -3.601 -0.097 4.530 497 HA VAL 71 HA VAL 71 -0.914 0.449 5.545 498 HB VAL 71 HB VAL 71 -2.408 1.887 3.349 499 HG11 VAL 71 1HG1 VAL 71 -0.704 3.311 4.018 500 HG12 VAL 71 2HG1 VAL 71 0.399 1.984 4.384 501 HG13 VAL 71 3HG1 VAL 71 0.044 2.400 2.707 502 HG21 VAL 71 1HG2 VAL 71 -0.811 -0.615 3.351 503 HG22 VAL 71 2HG2 VAL 71 -2.198 -0.158 2.362 504 HG23 VAL 71 3HG2 VAL 71 -0.601 0.493 1.995 505 H SER 72 H SER 72 -0.859 1.587 7.372 506 HA SER 72 HA SER 72 -2.878 3.646 7.860 507 HB2 SER 72 1HB SER 72 -0.749 2.575 9.727 508 HB3 SER 72 2HB SER 72 -2.087 3.637 10.165 509 HG SER 72 HG SER 72 -2.290 1.238 10.505 510 H VAL 73 H VAL 73 -2.366 5.525 6.918 511 HA VAL 73 HA VAL 73 0.397 6.513 7.194 512 HB VAL 73 HB VAL 73 -1.692 7.262 5.143 513 HG11 VAL 73 1HG1 VAL 73 1.071 8.133 4.727 514 HG12 VAL 73 2HG1 VAL 73 -0.444 9.009 4.497 515 HG13 VAL 73 3HG1 VAL 73 0.275 8.894 6.104 516 HG21 VAL 73 1HG2 VAL 73 0.898 6.175 4.290 517 HG22 VAL 73 2HG2 VAL 73 -0.128 5.039 5.167 518 HG23 VAL 73 3HG2 VAL 73 -0.729 5.825 3.706 519 H LYS 74 H LYS 74 0.326 7.619 9.093 520 HA LYS 74 HA LYS 74 -1.796 9.611 9.466 521 HB2 LYS 74 1HB LYS 74 0.058 8.175 11.324 522 HB3 LYS 74 2HB LYS 74 -0.598 9.735 11.804 523 HG2 LYS 74 1HG LYS 74 -2.872 8.588 11.085 524 HG3 LYS 74 2HG LYS 74 -1.960 7.124 11.460 525 HD2 LYS 74 1HD LYS 74 -1.603 7.802 13.695 526 HD3 LYS 74 2HD LYS 74 -2.122 9.455 13.356 527 HE2 LYS 74 1HE LYS 74 -4.013 8.653 14.353 528 HE3 LYS 74 2HE LYS 74 -4.363 8.239 12.675 529 HZ1 LYS 74 1HZ LYS 74 -3.124 6.043 13.378 530 HZ2 LYS 74 2HZ LYS 74 -4.778 6.252 13.660 531 HZ3 LYS 74 3HZ LYS 74 -3.670 6.493 14.915 532 H TYR 75 H TYR 75 -1.269 11.763 10.089 533 HA TYR 75 HA TYR 75 1.490 12.596 9.516 534 HB2 TYR 75 1HB TYR 75 0.450 13.155 7.492 535 HB3 TYR 75 2HB TYR 75 -1.046 13.637 8.284 536 HD1 TYR 75 1HD TYR 75 2.552 14.619 8.081 537 HD2 TYR 75 2HD TYR 75 -1.478 15.893 8.577 538 HE1 TYR 75 1HE TYR 75 3.294 16.964 8.041 539 HE2 TYR 75 2HE TYR 75 -0.746 18.241 8.537 540 HH TYR 75 HH TYR 75 2.312 19.221 9.011 541 H ARG 76 H ARG 76 2.062 13.133 11.560 542 HA ARG 76 HA ARG 76 2.212 14.350 13.476 543 HB2 ARG 76 1HB ARG 76 0.598 16.183 11.733 544 HB3 ARG 76 2HB ARG 76 0.897 16.599 13.415 545 HG2 ARG 76 1HG ARG 76 3.195 16.795 13.086 546 HG3 ARG 76 2HG ARG 76 3.147 15.887 11.573 547 HD2 ARG 76 1HD ARG 76 1.693 17.805 10.694 548 HD3 ARG 76 2HD ARG 76 2.249 18.702 12.106 549 HE ARG 76 HE ARG 76 3.742 18.121 9.737 550 HH11 ARG 76 1HH1 ARG 76 3.989 18.722 13.157 551 HH12 ARG 76 2HH1 ARG 76 5.617 19.309 13.069 552 HH21 ARG 76 1HH2 ARG 76 5.886 18.892 9.608 553 HH22 ARG 76 2HH2 ARG 76 6.694 19.406 11.049 554 H GLY 77 H GLY 77 0.250 12.280 13.303 555 HA2 GLY 77 1HA GLY 77 -1.259 11.440 14.861 556 HA3 GLY 77 2HA GLY 77 -1.374 13.042 15.573 557 H GLN 78 H GLN 78 -1.873 12.362 12.166 558 HA GLN 78 HA GLN 78 -4.755 12.407 12.435 559 HB2 GLN 78 1HB GLN 78 -3.234 14.650 11.105 560 HB3 GLN 78 2HB GLN 78 -4.944 14.345 10.825 561 HG2 GLN 78 1HG GLN 78 -5.334 14.628 13.260 562 HG3 GLN 78 2HG GLN 78 -3.641 15.086 13.432 563 HE21 GLN 78 1HE2 GLN 78 -5.371 16.866 14.299 564 HE22 GLN 78 2HE2 GLN 78 -5.528 18.200 13.212 565 H HIS 79 H HIS 79 -5.424 10.859 11.118 566 HA HIS 79 HA HIS 79 -3.870 9.675 9.114 567 HB2 HIS 79 1HB HIS 79 -6.749 9.549 9.896 568 HB3 HIS 79 2HB HIS 79 -6.272 8.856 8.349 569 HD1 HIS 79 1HD HIS 79 -3.893 7.271 8.796 570 HD2 HIS 79 2HD HIS 79 -6.782 7.612 11.763 571 HE1 HIS 79 1HE HIS 79 -3.548 5.287 10.302 572 HE2 HIS 79 2HE HIS 79 -5.362 5.469 12.041 573 H VAL 80 H VAL 80 -3.639 10.016 6.972 574 HA VAL 80 HA VAL 80 -4.444 12.533 5.890 575 HB VAL 80 HB VAL 80 -3.385 11.733 3.796 576 HG11 VAL 80 1HG1 VAL 80 -1.539 11.052 6.051 577 HG12 VAL 80 2HG1 VAL 80 -1.211 11.955 4.571 578 HG13 VAL 80 3HG1 VAL 80 -2.156 12.693 5.864 579 HG21 VAL 80 1HG2 VAL 80 -2.292 9.579 3.714 580 HG22 VAL 80 2HG2 VAL 80 -2.830 9.208 5.352 581 HG23 VAL 80 3HG2 VAL 80 -4.009 9.354 4.048 582 H THR 81 H THR 81 -5.370 12.532 3.560 583 HA THR 81 HA THR 81 -8.031 11.612 3.699 584 HB THR 81 HB THR 81 -6.583 12.470 1.190 585 HG1 THR 81 1HG THR 81 -8.058 14.190 2.892 586 HG21 THR 81 1HG2 THR 81 -8.726 13.057 0.352 587 HG22 THR 81 2HG2 THR 81 -9.483 12.826 1.929 588 HG23 THR 81 3HG2 THR 81 -8.887 11.435 1.024 589 H GLY 82 H GLY 82 -8.806 9.641 3.352 590 HA2 GLY 82 1HA GLY 82 -9.171 7.787 1.872 591 HA3 GLY 82 2HA GLY 82 -7.512 7.954 1.316 592 H SER 83 H SER 83 -6.042 7.969 3.566 593 HA SER 83 HA SER 83 -6.011 5.239 4.306 594 HB2 SER 83 1HB SER 83 -3.894 6.104 4.467 595 HB3 SER 83 2HB SER 83 -4.462 7.672 5.040 596 HG SER 83 HG SER 83 -4.860 6.696 7.069 597 HA PRO 84 HA PRO 84 -5.035 4.134 6.154 598 HB2 PRO 84 1HB PRO 84 -6.217 1.896 7.135 599 HB3 PRO 84 2HB PRO 84 -5.363 3.058 8.157 600 HG2 PRO 84 1HG PRO 84 -8.302 2.767 7.669 601 HG3 PRO 84 2HG PRO 84 -7.445 3.061 9.193 602 HD2 PRO 84 1HD PRO 84 -8.674 5.036 7.809 603 HD3 PRO 84 2HD PRO 84 -7.209 5.315 8.771 604 H PHE 85 H PHE 85 -4.754 2.732 4.459 605 HA PHE 85 HA PHE 85 -7.099 2.311 2.745 606 HB2 PHE 85 1HB PHE 85 -4.155 2.182 2.057 607 HB3 PHE 85 2HB PHE 85 -5.484 1.992 0.918 608 HD1 PHE 85 2HD PHE 85 -6.920 3.918 0.362 609 HD2 PHE 85 1HD PHE 85 -3.450 4.325 2.793 610 HE1 PHE 85 2HE PHE 85 -6.945 6.349 -0.015 611 HE2 PHE 85 1HE PHE 85 -3.470 6.757 2.421 612 HZ PHE 85 HZ PHE 85 -5.218 7.772 1.014 613 H GLN 86 H GLN 86 -7.996 0.369 2.820 614 HA GLN 86 HA GLN 86 -6.421 -1.921 3.712 615 HB2 GLN 86 1HB GLN 86 -8.838 -1.218 4.505 616 HB3 GLN 86 2HB GLN 86 -9.333 -2.106 3.070 617 HG2 GLN 86 1HG GLN 86 -7.950 -4.033 3.965 618 HG3 GLN 86 2HG GLN 86 -7.871 -3.133 5.479 619 HE21 GLN 86 1HE2 GLN 86 -9.751 -2.831 6.685 620 HE22 GLN 86 2HE2 GLN 86 -11.161 -3.796 6.435 621 H PHE 87 H PHE 87 -5.920 -3.641 2.459 622 HA PHE 87 HA PHE 87 -7.125 -3.917 -0.178 623 HB2 PHE 87 1HB PHE 87 -5.031 -3.930 -1.365 624 HB3 PHE 87 2HB PHE 87 -5.128 -2.430 -0.448 625 HD1 PHE 87 2HD PHE 87 -3.609 -5.798 -0.504 626 HD2 PHE 87 1HD PHE 87 -3.515 -1.887 1.172 627 HE1 PHE 87 2HE PHE 87 -1.439 -6.301 0.538 628 HE2 PHE 87 1HE PHE 87 -1.343 -2.384 2.217 629 HZ PHE 87 HZ PHE 87 -0.303 -4.594 1.902 630 H THR 88 H THR 88 -7.216 -5.996 -0.886 631 HA THR 88 HA THR 88 -6.183 -8.035 0.957 632 HB THR 88 HB THR 88 -8.399 -8.168 -1.093 633 HG1 THR 88 1HG THR 88 -9.511 -8.740 1.011 634 HG21 THR 88 1HG2 THR 88 -7.291 -10.341 0.688 635 HG22 THR 88 2HG2 THR 88 -7.248 -10.299 -1.074 636 HG23 THR 88 3HG2 THR 88 -8.789 -10.458 -0.233 637 H VAL 89 H VAL 89 -4.987 -9.780 0.238 638 HA VAL 89 HA VAL 89 -3.896 -9.517 -2.487 639 HB VAL 89 HB VAL 89 -2.592 -10.733 -0.047 640 HG11 VAL 89 1HG1 VAL 89 -1.572 -10.368 -2.861 641 HG12 VAL 89 2HG1 VAL 89 -0.582 -10.858 -1.485 642 HG13 VAL 89 3HG1 VAL 89 -1.896 -11.896 -2.043 643 HG21 VAL 89 1HG2 VAL 89 -1.635 -8.760 0.372 644 HG22 VAL 89 2HG2 VAL 89 -1.265 -8.484 -1.330 645 HG23 VAL 89 3HG2 VAL 89 -2.856 -8.066 -0.695 646 H GLY 90 H GLY 90 -4.027 -11.199 -3.862 647 HA2 GLY 90 1HA GLY 90 -5.278 -13.664 -2.832 648 HA3 GLY 90 2HA GLY 90 -5.443 -13.067 -4.477 649 HA PRO 91 HA PRO 91 -2.275 -16.401 -4.605 650 HB2 PRO 91 1HB PRO 91 -3.116 -17.403 -6.984 651 HB3 PRO 91 2HB PRO 91 -3.831 -17.872 -5.437 652 HG2 PRO 91 1HG PRO 91 -4.816 -15.894 -7.456 653 HG3 PRO 91 2HG PRO 91 -5.728 -17.112 -6.546 654 HD2 PRO 91 1HD PRO 91 -5.687 -14.497 -5.843 655 HD3 PRO 91 2HD PRO 91 -5.826 -15.805 -4.650 656 H LEU 92 H LEU 92 -0.322 -16.168 -5.529 657 HA LEU 92 HA LEU 92 0.630 -13.987 -6.757 658 HB2 LEU 92 1HB LEU 92 2.500 -15.200 -7.429 659 HB3 LEU 92 2HB LEU 92 1.864 -16.106 -6.057 660 HG LEU 92 HG LEU 92 1.320 -16.856 -8.923 661 HD11 LEU 92 1HD1 LEU 92 3.349 -18.177 -7.153 662 HD12 LEU 92 2HD1 LEU 92 3.780 -16.851 -8.233 663 HD13 LEU 92 3HD1 LEU 92 3.118 -18.346 -8.893 664 HD21 LEU 92 1HD2 LEU 92 -0.114 -18.263 -7.975 665 HD22 LEU 92 2HD2 LEU 92 0.403 -17.787 -6.357 666 HD23 LEU 92 3HD2 LEU 92 1.261 -19.067 -7.217 667 H GLY 93 H GLY 93 -1.062 -16.625 -8.371 668 HA2 GLY 93 1HA GLY 93 -2.098 -15.056 -10.422 669 HA3 GLY 93 2HA GLY 93 -0.601 -15.750 -11.025 670 H GLU 94 H GLU 94 -3.135 -16.270 -12.134 671 HA GLU 94 HA GLU 94 -4.181 -18.745 -11.181 672 HB2 GLU 94 1HB GLU 94 -5.492 -17.099 -12.510 673 HB3 GLU 94 2HB GLU 94 -4.504 -17.488 -13.911 674 HG2 GLU 94 1HG GLU 94 -5.289 -19.806 -13.812 675 HG3 GLU 94 2HG GLU 94 -6.303 -19.393 -12.430 676 H GLY 95 H GLY 95 -2.396 -17.954 -14.175 677 HA2 GLY 95 1HA GLY 95 -1.793 -20.756 -14.603 678 HA3 GLY 95 2HA GLY 95 -1.335 -19.416 -15.645 679 H GLY 96 H GLY 96 0.565 -21.187 -15.391 680 HA2 GLY 96 1HA GLY 96 2.673 -19.767 -14.106 681 HA3 GLY 96 2HA GLY 96 2.238 -21.202 -13.188 682 H SER 97 H SER 97 3.419 -22.928 -13.626 683 HA SER 97 HA SER 97 4.691 -24.462 -14.724 684 HB2 SER 97 1HB SER 97 2.663 -24.199 -16.361 685 HB3 SER 97 2HB SER 97 3.833 -23.359 -17.379 686 HG SER 97 HG SER 97 3.853 -26.039 -16.497 687 H GLY 98 H GLY 98 5.911 -22.085 -13.930 688 HA2 GLY 98 1HA GLY 98 8.002 -21.858 -15.995 689 HA3 GLY 98 2HA GLY 98 7.354 -20.415 -15.231 690 HA PRO 99 HA PRO 99 10.322 -20.695 -12.024 691 HB2 PRO 99 1HB PRO 99 8.920 -19.849 -9.858 692 HB3 PRO 99 2HB PRO 99 9.428 -18.764 -11.157 693 HG2 PRO 99 1HG PRO 99 6.764 -20.049 -10.695 694 HG3 PRO 99 2HG PRO 99 7.133 -18.386 -11.186 695 HD2 PRO 99 1HD PRO 99 6.350 -20.286 -12.949 696 HD3 PRO 99 2HD PRO 99 7.466 -18.977 -13.389 697 H SER 100 H SER 100 11.039 -21.939 -10.278 698 HA SER 100 HA SER 100 9.213 -23.898 -9.121 699 HB2 SER 100 1HB SER 100 11.731 -24.654 -10.621 700 HB3 SER 100 2HB SER 100 10.808 -25.757 -9.601 701 HG SER 100 HG SER 100 8.989 -24.931 -11.095 702 H SER 101 H SER 101 9.907 -24.760 -7.146 703 HA SER 101 HA SER 101 11.914 -23.130 -5.802 704 HB2 SER 101 1HB SER 101 10.861 -23.657 -3.813 705 HB3 SER 101 2HB SER 101 9.507 -23.795 -4.934 706 HG SER 101 HG SER 101 10.447 -26.131 -5.023 707 H GLY 102 H GLY 102 12.449 -25.441 -7.726 708 HA2 GLY 102 1HA GLY 102 14.086 -27.037 -7.945 709 HA3 GLY 102 2HA GLY 102 14.771 -26.417 -6.451 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -19.611 3.620 9.041 2 HA2 GLY 1 1HA GLY 1 -19.358 1.350 9.268 3 HA3 GLY 1 2HA GLY 1 -21.011 1.210 8.688 4 H SER 2 H SER 2 -20.441 -0.699 7.558 5 HA SER 2 HA SER 2 -18.376 -0.871 5.664 6 HB2 SER 2 1HB SER 2 -20.868 -2.419 6.219 7 HB3 SER 2 2HB SER 2 -20.037 -2.697 4.689 8 HG SER 2 HG SER 2 -18.514 -2.670 7.031 9 H SER 3 H SER 3 -18.366 0.967 4.368 10 HA SER 3 HA SER 3 -20.345 2.272 3.079 11 HB2 SER 3 1HB SER 3 -17.939 2.838 2.889 12 HB3 SER 3 2HB SER 3 -17.724 1.481 1.783 13 HG SER 3 HG SER 3 -18.782 3.969 1.328 14 H GLY 4 H GLY 4 -18.874 -0.773 2.005 15 HA2 GLY 4 1HA GLY 4 -21.312 -1.492 0.633 16 HA3 GLY 4 2HA GLY 4 -19.958 -1.177 -0.442 17 H SER 5 H SER 5 -21.586 -3.633 0.627 18 HA SER 5 HA SER 5 -19.230 -5.307 1.207 19 HB2 SER 5 1HB SER 5 -22.118 -5.614 2.038 20 HB3 SER 5 2HB SER 5 -20.940 -6.919 2.180 21 HG SER 5 HG SER 5 -21.176 -4.562 3.633 22 H SER 6 H SER 6 -18.664 -6.751 -0.275 23 HA SER 6 HA SER 6 -20.539 -8.210 -1.846 24 HB2 SER 6 1HB SER 6 -20.668 -6.154 -3.128 25 HB3 SER 6 2HB SER 6 -18.910 -6.067 -3.232 26 HG SER 6 HG SER 6 -20.539 -7.252 -4.906 27 H GLY 7 H GLY 7 -19.641 -10.152 -1.965 28 HA2 GLY 7 1HA GLY 7 -16.920 -10.654 -1.407 29 HA3 GLY 7 2HA GLY 7 -18.065 -11.819 -2.055 30 H ARG 8 H ARG 8 -16.464 -12.702 -3.412 31 HA ARG 8 HA ARG 8 -14.976 -12.758 -5.182 32 HB2 ARG 8 1HB ARG 8 -16.142 -12.349 -7.299 33 HB3 ARG 8 2HB ARG 8 -17.167 -13.218 -6.165 34 HG2 ARG 8 1HG ARG 8 -18.142 -10.936 -5.567 35 HG3 ARG 8 2HG ARG 8 -17.345 -10.355 -7.031 36 HD2 ARG 8 1HD ARG 8 -19.364 -10.915 -7.920 37 HD3 ARG 8 2HD ARG 8 -18.551 -12.471 -8.075 38 HE ARG 8 HE ARG 8 -19.808 -12.403 -5.586 39 HH11 ARG 8 1HH1 ARG 8 -20.654 -12.414 -8.962 40 HH12 ARG 8 2HH1 ARG 8 -22.173 -13.209 -8.713 41 HH21 ARG 8 1HH2 ARG 8 -21.805 -13.450 -5.244 42 HH22 ARG 8 2HH2 ARG 8 -22.827 -13.797 -6.597 43 H ALA 9 H ALA 9 -14.471 -10.470 -3.608 44 HA ALA 9 HA ALA 9 -14.355 -8.068 -5.051 45 HB1 ALA 9 1HB ALA 9 -13.969 -8.517 -2.538 46 HB2 ALA 9 2HB ALA 9 -12.292 -8.796 -3.008 47 HB3 ALA 9 3HB ALA 9 -13.048 -7.234 -3.323 48 HA PRO 10 HA PRO 10 -11.133 -8.722 -7.974 49 HB2 PRO 10 1HB PRO 10 -10.296 -6.161 -8.302 50 HB3 PRO 10 2HB PRO 10 -11.824 -6.763 -8.955 51 HG2 PRO 10 1HG PRO 10 -11.321 -5.184 -6.462 52 HG3 PRO 10 2HG PRO 10 -12.604 -4.988 -7.671 53 HD2 PRO 10 1HD PRO 10 -13.010 -6.242 -5.305 54 HD3 PRO 10 2HD PRO 10 -13.869 -6.702 -6.790 55 H SER 11 H SER 11 -8.826 -8.528 -8.275 56 HA SER 11 HA SER 11 -7.404 -8.363 -5.714 57 HB2 SER 11 1HB SER 11 -5.592 -9.600 -6.944 58 HB3 SER 11 2HB SER 11 -7.114 -10.482 -6.819 59 HG SER 11 HG SER 11 -5.981 -10.346 -8.961 60 H VAL 12 H VAL 12 -6.808 -6.285 -5.418 61 HA VAL 12 HA VAL 12 -5.759 -4.705 -7.611 62 HB VAL 12 HB VAL 12 -5.354 -3.060 -5.597 63 HG11 VAL 12 1HG1 VAL 12 -7.026 -2.907 -7.484 64 HG12 VAL 12 2HG1 VAL 12 -8.188 -3.675 -6.401 65 HG13 VAL 12 3HG1 VAL 12 -7.488 -2.111 -5.980 66 HG21 VAL 12 1HG2 VAL 12 -7.523 -4.804 -4.448 67 HG22 VAL 12 2HG2 VAL 12 -5.839 -4.880 -3.929 68 HG23 VAL 12 3HG2 VAL 12 -6.763 -3.394 -3.710 69 H ALA 13 H ALA 13 -4.565 -6.594 -4.966 70 HA ALA 13 HA ALA 13 -1.819 -5.826 -5.703 71 HB1 ALA 13 1HB ALA 13 -3.070 -5.966 -3.013 72 HB2 ALA 13 2HB ALA 13 -1.390 -6.479 -3.176 73 HB3 ALA 13 3HB ALA 13 -1.863 -4.846 -3.645 74 H THR 14 H THR 14 -0.278 -7.465 -5.686 75 HA THR 14 HA THR 14 -1.389 -10.191 -5.574 76 HB THR 14 HB THR 14 0.972 -9.160 -7.158 77 HG1 THR 14 1HG THR 14 -1.400 -10.302 -8.199 78 HG21 THR 14 1HG2 THR 14 -0.051 -11.906 -6.604 79 HG22 THR 14 2HG2 THR 14 1.609 -11.335 -6.775 80 HG23 THR 14 3HG2 THR 14 0.598 -11.551 -8.204 81 H VAL 15 H VAL 15 -0.110 -11.871 -4.683 82 HA VAL 15 HA VAL 15 1.396 -11.071 -2.384 83 HB VAL 15 HB VAL 15 -0.037 -13.055 -2.317 84 HG11 VAL 15 1HG1 VAL 15 1.419 -13.718 -4.718 85 HG12 VAL 15 2HG1 VAL 15 1.479 -15.041 -3.552 86 HG13 VAL 15 3HG1 VAL 15 -0.077 -14.404 -4.086 87 HG21 VAL 15 1HG2 VAL 15 1.999 -12.821 -0.864 88 HG22 VAL 15 2HG2 VAL 15 1.435 -14.476 -1.101 89 HG23 VAL 15 3HG2 VAL 15 2.839 -13.887 -1.991 90 H GLY 16 H GLY 16 3.576 -11.352 -1.960 91 HA2 GLY 16 1HA GLY 16 5.817 -11.712 -2.397 92 HA3 GLY 16 2HA GLY 16 5.352 -12.557 -3.867 93 H SER 17 H SER 17 3.974 -10.606 -5.228 94 HA SER 17 HA SER 17 6.109 -9.080 -6.314 95 HB2 SER 17 1HB SER 17 3.126 -9.037 -6.792 96 HB3 SER 17 2HB SER 17 4.253 -8.008 -7.676 97 HG SER 17 HG SER 17 4.065 -9.799 -8.906 98 H ILE 18 H ILE 18 6.620 -6.947 -6.116 99 HA ILE 18 HA ILE 18 6.098 -5.615 -3.731 100 HB ILE 18 HB ILE 18 6.955 -4.414 -6.367 101 HG12 ILE 18 1HG1 ILE 18 8.430 -6.220 -5.527 102 HG13 ILE 18 2HG1 ILE 18 9.223 -4.649 -5.518 103 HG21 ILE 18 1HG2 ILE 18 6.217 -2.632 -5.007 104 HG22 ILE 18 2HG2 ILE 18 6.959 -3.325 -3.566 105 HG23 ILE 18 3HG2 ILE 18 7.973 -2.664 -4.848 106 HD11 ILE 18 1HD1 ILE 18 8.970 -6.467 -3.404 107 HD12 ILE 18 2HD1 ILE 18 9.653 -4.841 -3.361 108 HD13 ILE 18 3HD1 ILE 18 7.945 -5.090 -3.001 109 H CYS 19 H CYS 19 4.571 -4.228 -3.043 110 HA CYS 19 HA CYS 19 2.379 -3.617 -4.905 111 HB2 CYS 19 1HB CYS 19 1.830 -4.962 -2.871 112 HB3 CYS 19 2HB CYS 19 2.319 -3.591 -1.882 113 HG CYS 19 HG CYS 19 -0.013 -2.925 -4.213 114 H ASP 20 H ASP 20 2.810 -1.681 -5.797 115 HA ASP 20 HA ASP 20 3.880 0.479 -4.164 116 HB2 ASP 20 1HB ASP 20 3.200 0.426 -7.112 117 HB3 ASP 20 2HB ASP 20 4.058 1.714 -6.273 118 H LEU 21 H LEU 21 2.749 2.198 -3.457 119 HA LEU 21 HA LEU 21 -0.121 2.267 -4.100 120 HB2 LEU 21 1HB LEU 21 0.870 1.974 -1.684 121 HB3 LEU 21 2HB LEU 21 1.051 3.725 -1.779 122 HG LEU 21 HG LEU 21 -1.428 3.817 -2.295 123 HD11 LEU 21 1HD1 LEU 21 -1.472 1.323 -2.851 124 HD12 LEU 21 2HD1 LEU 21 -2.800 1.971 -1.890 125 HD13 LEU 21 3HD1 LEU 21 -1.506 1.064 -1.107 126 HD21 LEU 21 1HD2 LEU 21 -1.066 2.610 0.397 127 HD22 LEU 21 2HD2 LEU 21 -1.910 4.084 -0.080 128 HD23 LEU 21 3HD2 LEU 21 -0.147 4.064 0.002 129 H ASN 22 H ASN 22 -0.443 3.678 -5.708 130 HA ASN 22 HA ASN 22 1.176 5.969 -6.161 131 HB2 ASN 22 1HB ASN 22 -1.605 5.569 -7.254 132 HB3 ASN 22 2HB ASN 22 -0.262 6.444 -7.984 133 HD21 ASN 22 1HD2 ASN 22 1.664 5.107 -8.517 134 HD22 ASN 22 2HD2 ASN 22 1.385 3.522 -9.145 135 H LEU 23 H LEU 23 1.218 7.536 -4.663 136 HA LEU 23 HA LEU 23 -1.342 8.778 -3.935 137 HB2 LEU 23 1HB LEU 23 0.942 8.161 -2.068 138 HB3 LEU 23 2HB LEU 23 -0.425 9.196 -1.661 139 HG LEU 23 HG LEU 23 -0.682 6.282 -2.391 140 HD11 LEU 23 1HD1 LEU 23 -1.086 5.988 0.064 141 HD12 LEU 23 2HD1 LEU 23 -0.449 7.615 0.298 142 HD13 LEU 23 3HD1 LEU 23 0.581 6.353 -0.378 143 HD21 LEU 23 1HD2 LEU 23 -2.736 7.514 -0.748 144 HD22 LEU 23 2HD2 LEU 23 -2.887 6.558 -2.223 145 HD23 LEU 23 3HD2 LEU 23 -2.573 8.291 -2.323 146 H LYS 24 H LYS 24 -1.303 11.005 -3.666 147 HA LYS 24 HA LYS 24 1.205 12.442 -3.895 148 HB2 LYS 24 1HB LYS 24 0.485 13.737 -5.859 149 HB3 LYS 24 2HB LYS 24 0.665 12.028 -6.235 150 HG2 LYS 24 1HG LYS 24 -1.882 11.917 -5.754 151 HG3 LYS 24 2HG LYS 24 -1.822 13.663 -6.009 152 HD2 LYS 24 1HD LYS 24 -0.935 13.367 -8.222 153 HD3 LYS 24 2HD LYS 24 -0.763 11.628 -7.968 154 HE2 LYS 24 1HE LYS 24 -2.723 11.991 -9.287 155 HE3 LYS 24 2HE LYS 24 -3.238 11.502 -7.674 156 HZ1 LYS 24 1HZ LYS 24 -3.156 14.295 -8.680 157 HZ2 LYS 24 2HZ LYS 24 -3.671 13.814 -7.144 158 HZ3 LYS 24 3HZ LYS 24 -4.550 13.352 -8.513 159 H ILE 25 H ILE 25 1.066 13.919 -2.350 160 HA ILE 25 HA ILE 25 -1.394 15.499 -2.120 161 HB ILE 25 HB ILE 25 0.080 14.524 0.319 162 HG12 ILE 25 1HG1 ILE 25 -2.556 13.423 -0.635 163 HG13 ILE 25 2HG1 ILE 25 -1.028 12.690 -1.112 164 HG21 ILE 25 1HG2 ILE 25 -1.126 16.461 0.838 165 HG22 ILE 25 2HG2 ILE 25 -2.494 15.985 -0.167 166 HG23 ILE 25 3HG2 ILE 25 -2.177 15.140 1.348 167 HD11 ILE 25 1HD1 ILE 25 -2.242 12.884 1.617 168 HD12 ILE 25 2HD1 ILE 25 -1.737 11.448 0.725 169 HD13 ILE 25 3HD1 ILE 25 -0.526 12.547 1.384 170 HA PRO 26 HA PRO 26 1.884 18.562 -2.371 171 HB2 PRO 26 1HB PRO 26 0.205 20.661 -2.755 172 HB3 PRO 26 2HB PRO 26 0.662 19.546 -4.049 173 HG2 PRO 26 1HG PRO 26 -1.826 19.600 -2.385 174 HG3 PRO 26 2HG PRO 26 -1.652 19.335 -4.130 175 HD2 PRO 26 1HD PRO 26 -2.016 17.303 -2.377 176 HD3 PRO 26 2HD PRO 26 -1.061 17.123 -3.863 177 H GLU 27 H GLU 27 -0.573 18.101 -0.078 178 HA GLU 27 HA GLU 27 0.281 20.385 1.547 179 HB2 GLU 27 1HB GLU 27 -2.129 18.634 1.497 180 HB3 GLU 27 2HB GLU 27 -1.655 19.331 3.040 181 HG2 GLU 27 1HG GLU 27 -1.779 21.565 2.089 182 HG3 GLU 27 2HG GLU 27 -2.213 20.884 0.522 183 H ILE 28 H ILE 28 1.140 17.243 1.079 184 HA ILE 28 HA ILE 28 1.940 16.881 3.893 185 HB ILE 28 HB ILE 28 1.517 14.785 1.760 186 HG12 ILE 28 1HG1 ILE 28 -0.523 15.819 2.838 187 HG13 ILE 28 2HG1 ILE 28 -0.373 14.077 3.036 188 HG21 ILE 28 1HG2 ILE 28 3.152 13.757 2.948 189 HG22 ILE 28 2HG2 ILE 28 2.850 14.710 4.399 190 HG23 ILE 28 3HG2 ILE 28 1.793 13.357 3.998 191 HD11 ILE 28 1HD1 ILE 28 0.014 16.241 5.059 192 HD12 ILE 28 2HD1 ILE 28 -1.022 14.815 5.131 193 HD13 ILE 28 3HD1 ILE 28 0.726 14.644 5.286 194 H ASN 29 H ASN 29 4.048 16.212 4.356 195 HA ASN 29 HA ASN 29 5.968 16.669 2.172 196 HB2 ASN 29 1HB ASN 29 5.882 18.144 4.343 197 HB3 ASN 29 2HB ASN 29 6.741 16.786 5.065 198 HD21 ASN 29 1HD2 ASN 29 7.342 19.678 4.078 199 HD22 ASN 29 2HD2 ASN 29 8.867 19.491 3.287 200 H SER 30 H SER 30 7.319 15.085 1.589 201 HA SER 30 HA SER 30 6.955 12.444 2.315 202 HB2 SER 30 1HB SER 30 9.113 11.996 1.214 203 HB3 SER 30 2HB SER 30 8.136 13.123 0.273 204 HG SER 30 HG SER 30 10.466 13.632 0.664 205 H SER 31 H SER 31 8.552 14.913 4.035 206 HA SER 31 HA SER 31 10.212 13.106 5.588 207 HB2 SER 31 1HB SER 31 9.825 16.082 5.512 208 HB3 SER 31 2HB SER 31 10.618 15.330 6.897 209 HG SER 31 HG SER 31 11.478 14.608 4.340 210 H ASP 32 H ASP 32 7.365 15.160 6.067 211 HA ASP 32 HA ASP 32 7.021 14.206 8.785 212 HB2 ASP 32 1HB ASP 32 5.741 16.281 7.072 213 HB3 ASP 32 2HB ASP 32 4.794 15.615 8.400 214 H MET 33 H MET 33 6.836 12.350 6.481 215 HA MET 33 HA MET 33 4.026 11.515 6.707 216 HB2 MET 33 1HB MET 33 6.126 11.144 4.618 217 HB3 MET 33 2HB MET 33 4.881 9.912 4.782 218 HG2 MET 33 1HG MET 33 3.155 11.583 4.428 219 HG3 MET 33 2HG MET 33 4.382 12.842 4.315 220 HE1 MET 33 1HE MET 33 3.252 9.427 2.871 221 HE2 MET 33 2HE MET 33 4.019 9.388 1.283 222 HE3 MET 33 3HE MET 33 5.002 9.241 2.741 223 H SER 34 H SER 34 3.586 9.213 6.936 224 HA SER 34 HA SER 34 5.684 7.471 7.856 225 HB2 SER 34 1HB SER 34 3.571 8.397 9.817 226 HB3 SER 34 2HB SER 34 4.754 7.123 10.111 227 HG SER 34 HG SER 34 6.023 8.660 10.747 228 H ALA 35 H ALA 35 5.176 5.622 6.906 229 HA ALA 35 HA ALA 35 2.341 4.814 6.821 230 HB1 ALA 35 1HB ALA 35 3.223 5.372 4.598 231 HB2 ALA 35 2HB ALA 35 4.482 4.153 4.802 232 HB3 ALA 35 3HB ALA 35 2.788 3.667 4.730 233 H HIS 36 H HIS 36 1.882 2.576 7.043 234 HA HIS 36 HA HIS 36 4.042 0.812 7.874 235 HB2 HIS 36 1HB HIS 36 1.681 1.375 9.681 236 HB3 HIS 36 2HB HIS 36 2.976 0.222 9.990 237 HD1 HIS 36 1HD HIS 36 2.047 3.729 10.445 238 HD2 HIS 36 2HD HIS 36 5.545 1.488 10.470 239 HE1 HIS 36 1HE HIS 36 3.767 5.181 11.567 240 HE2 HIS 36 2HE HIS 36 5.896 3.838 11.494 241 H VAL 37 H VAL 37 3.566 -1.369 7.662 242 HA VAL 37 HA VAL 37 1.059 -1.944 6.236 243 HB VAL 37 HB VAL 37 3.689 -3.429 6.211 244 HG11 VAL 37 1HG1 VAL 37 1.152 -4.038 4.696 245 HG12 VAL 37 2HG1 VAL 37 2.686 -4.900 4.559 246 HG13 VAL 37 3HG1 VAL 37 1.771 -4.959 6.066 247 HG21 VAL 37 1HG2 VAL 37 3.730 -2.762 3.836 248 HG22 VAL 37 2HG2 VAL 37 2.266 -1.814 4.096 249 HG23 VAL 37 3HG2 VAL 37 3.759 -1.377 4.927 250 H THR 38 H THR 38 -0.329 -2.421 7.895 251 HA THR 38 HA THR 38 0.421 -4.181 10.045 252 HB THR 38 HB THR 38 -2.343 -3.213 9.291 253 HG1 THR 38 1HG THR 38 -1.939 -1.470 10.552 254 HG21 THR 38 1HG2 THR 38 -1.242 -4.302 11.885 255 HG22 THR 38 2HG2 THR 38 -2.353 -5.136 10.799 256 HG23 THR 38 3HG2 THR 38 -2.872 -3.677 11.642 257 H SER 39 H SER 39 -0.368 -6.262 10.443 258 HA SER 39 HA SER 39 -1.368 -7.662 8.050 259 HB2 SER 39 1HB SER 39 -0.044 -9.494 8.546 260 HB3 SER 39 2HB SER 39 0.982 -8.184 9.131 261 HG SER 39 HG SER 39 0.755 -9.903 10.651 262 HA PRO 40 HA PRO 40 -4.988 -8.871 10.218 263 HB2 PRO 40 1HB PRO 40 -5.473 -11.296 9.099 264 HB3 PRO 40 2HB PRO 40 -5.722 -9.774 8.237 265 HG2 PRO 40 1HG PRO 40 -3.413 -11.674 8.097 266 HG3 PRO 40 2HG PRO 40 -4.247 -10.828 6.781 267 HD2 PRO 40 1HD PRO 40 -1.881 -9.981 7.788 268 HD3 PRO 40 2HD PRO 40 -3.103 -8.862 7.150 269 H SER 41 H SER 41 -2.044 -10.394 10.676 270 HA SER 41 HA SER 41 -3.105 -12.361 12.570 271 HB2 SER 41 1HB SER 41 -0.850 -13.297 12.602 272 HB3 SER 41 2HB SER 41 -1.401 -13.118 10.936 273 HG SER 41 HG SER 41 0.466 -11.548 12.358 274 H GLY 42 H GLY 42 -1.786 -9.238 12.471 275 HA2 GLY 42 1HA GLY 42 -1.933 -7.927 14.517 276 HA3 GLY 42 2HA GLY 42 -1.346 -9.336 15.388 277 H ARG 43 H ARG 43 0.072 -8.465 12.343 278 HA ARG 43 HA ARG 43 2.440 -7.447 13.772 279 HB2 ARG 43 1HB ARG 43 2.572 -9.784 12.676 280 HB3 ARG 43 2HB ARG 43 2.594 -8.910 11.150 281 HG2 ARG 43 1HG ARG 43 4.543 -7.584 12.306 282 HG3 ARG 43 2HG ARG 43 4.651 -9.043 13.292 283 HD2 ARG 43 1HD ARG 43 4.530 -9.246 10.311 284 HD3 ARG 43 2HD ARG 43 6.052 -8.851 11.109 285 HE ARG 43 HE ARG 43 5.196 -11.052 12.436 286 HH11 ARG 43 1HH1 ARG 43 5.686 -10.309 9.070 287 HH12 ARG 43 2HH1 ARG 43 6.080 -11.938 8.633 288 HH21 ARG 43 1HH2 ARG 43 5.712 -13.201 11.873 289 HH22 ARG 43 2HH2 ARG 43 6.093 -13.583 10.228 290 H VAL 44 H VAL 44 3.127 -5.492 13.190 291 HA VAL 44 HA VAL 44 2.337 -4.438 10.558 292 HB VAL 44 HB VAL 44 0.827 -3.383 12.069 293 HG11 VAL 44 1HG1 VAL 44 1.476 -2.278 14.101 294 HG12 VAL 44 2HG1 VAL 44 2.105 -3.926 14.132 295 HG13 VAL 44 3HG1 VAL 44 3.182 -2.577 13.770 296 HG21 VAL 44 1HG2 VAL 44 2.038 -1.964 10.371 297 HG22 VAL 44 2HG2 VAL 44 1.320 -1.089 11.724 298 HG23 VAL 44 3HG2 VAL 44 3.056 -1.395 11.694 299 H THR 45 H THR 45 3.892 -3.374 9.464 300 HA THR 45 HA THR 45 6.422 -2.830 10.877 301 HB THR 45 HB THR 45 6.773 -4.727 9.429 302 HG1 THR 45 1HG THR 45 8.608 -3.743 9.068 303 HG21 THR 45 1HG2 THR 45 5.349 -4.907 7.696 304 HG22 THR 45 2HG2 THR 45 6.520 -3.911 6.831 305 HG23 THR 45 3HG2 THR 45 5.113 -3.163 7.588 306 H GLU 46 H GLU 46 7.833 -1.462 9.095 307 HA GLU 46 HA GLU 46 6.201 0.938 8.635 308 HB2 GLU 46 1HB GLU 46 8.251 1.004 10.156 309 HB3 GLU 46 2HB GLU 46 9.212 0.814 8.696 310 HG2 GLU 46 1HG GLU 46 7.813 2.870 7.878 311 HG3 GLU 46 2HG GLU 46 7.583 3.129 9.606 312 H ALA 47 H ALA 47 5.775 1.576 6.629 313 HA ALA 47 HA ALA 47 6.925 0.130 4.397 314 HB1 ALA 47 1HB ALA 47 5.053 2.406 3.995 315 HB2 ALA 47 2HB ALA 47 5.148 0.857 3.157 316 HB3 ALA 47 3HB ALA 47 4.444 0.944 4.771 317 H GLU 48 H GLU 48 8.020 1.082 2.647 318 HA GLU 48 HA GLU 48 9.662 3.350 3.404 319 HB2 GLU 48 1HB GLU 48 10.721 1.391 2.388 320 HB3 GLU 48 2HB GLU 48 9.732 1.588 0.949 321 HG2 GLU 48 1HG GLU 48 11.806 2.482 0.375 322 HG3 GLU 48 2HG GLU 48 10.795 3.884 0.721 323 H ILE 49 H ILE 49 9.785 5.299 2.316 324 HA ILE 49 HA ILE 49 7.570 5.845 0.449 325 HB ILE 49 HB ILE 49 8.875 7.835 2.306 326 HG12 ILE 49 1HG1 ILE 49 6.123 6.629 2.590 327 HG13 ILE 49 2HG1 ILE 49 7.532 5.985 3.426 328 HG21 ILE 49 1HG2 ILE 49 6.208 8.321 1.155 329 HG22 ILE 49 2HG2 ILE 49 7.554 9.429 1.412 330 HG23 ILE 49 3HG2 ILE 49 7.554 8.352 0.016 331 HD11 ILE 49 1HD1 ILE 49 7.643 7.734 4.869 332 HD12 ILE 49 2HD1 ILE 49 6.953 8.876 3.715 333 HD13 ILE 49 3HD1 ILE 49 5.909 7.728 4.552 334 H VAL 50 H VAL 50 8.595 5.636 -1.488 335 HA VAL 50 HA VAL 50 11.167 6.916 -1.931 336 HB VAL 50 HB VAL 50 9.419 5.350 -3.834 337 HG11 VAL 50 1HG1 VAL 50 11.047 7.067 -4.802 338 HG12 VAL 50 2HG1 VAL 50 12.325 6.003 -4.212 339 HG13 VAL 50 3HG1 VAL 50 11.161 5.412 -5.398 340 HG21 VAL 50 1HG2 VAL 50 10.363 3.469 -3.084 341 HG22 VAL 50 2HG2 VAL 50 11.971 4.192 -3.043 342 HG23 VAL 50 3HG2 VAL 50 10.868 4.416 -1.684 343 HA PRO 51 HA PRO 51 9.312 10.665 -3.400 344 HB2 PRO 51 1HB PRO 51 11.578 11.774 -4.402 345 HB3 PRO 51 2HB PRO 51 11.227 11.705 -2.671 346 HG2 PRO 51 1HG PRO 51 12.979 9.924 -4.322 347 HG3 PRO 51 2HG PRO 51 13.278 10.609 -2.713 348 HD2 PRO 51 1HD PRO 51 12.456 8.055 -3.080 349 HD3 PRO 51 2HD PRO 51 11.995 9.011 -1.657 350 H MET 52 H MET 52 8.003 9.990 -5.092 351 HA MET 52 HA MET 52 9.145 9.194 -7.620 352 HB2 MET 52 1HB MET 52 6.302 9.677 -6.728 353 HB3 MET 52 2HB MET 52 6.734 9.178 -8.358 354 HG2 MET 52 1HG MET 52 8.005 7.271 -7.024 355 HG3 MET 52 2HG MET 52 6.767 7.644 -5.827 356 HE1 MET 52 1HE MET 52 4.430 8.576 -7.436 357 HE2 MET 52 2HE MET 52 3.522 7.197 -8.054 358 HE3 MET 52 3HE MET 52 4.015 7.241 -6.361 359 H GLY 53 H GLY 53 8.164 12.117 -6.117 360 HA2 GLY 53 1HA GLY 53 9.063 13.683 -8.324 361 HA3 GLY 53 2HA GLY 53 7.309 13.700 -8.212 362 H LYS 54 H LYS 54 6.848 15.691 -7.492 363 HA LYS 54 HA LYS 54 8.456 16.966 -5.458 364 HB2 LYS 54 1HB LYS 54 6.109 17.761 -7.132 365 HB3 LYS 54 2HB LYS 54 6.468 18.682 -5.678 366 HG2 LYS 54 1HG LYS 54 8.585 18.153 -7.726 367 HG3 LYS 54 2HG LYS 54 7.439 19.482 -7.914 368 HD2 LYS 54 1HD LYS 54 8.122 20.330 -5.691 369 HD3 LYS 54 2HD LYS 54 9.330 19.046 -5.603 370 HE2 LYS 54 1HE LYS 54 9.223 21.067 -7.831 371 HE3 LYS 54 2HE LYS 54 10.173 21.298 -6.364 372 HZ1 LYS 54 1HZ LYS 54 10.728 18.755 -7.418 373 HZ2 LYS 54 2HZ LYS 54 11.775 20.071 -7.236 374 HZ3 LYS 54 3HZ LYS 54 10.884 19.891 -8.663 375 H ASN 55 H ASN 55 4.976 16.203 -5.700 376 HA ASN 55 HA ASN 55 4.961 15.844 -2.775 377 HB2 ASN 55 1HB ASN 55 2.497 16.532 -4.347 378 HB3 ASN 55 2HB ASN 55 2.827 16.790 -2.637 379 HD21 ASN 55 1HD2 ASN 55 4.714 18.298 -2.220 380 HD22 ASN 55 2HD2 ASN 55 4.779 19.725 -3.192 381 H SER 56 H SER 56 5.484 13.871 -4.927 382 HA SER 56 HA SER 56 3.159 12.102 -4.607 383 HB2 SER 56 1HB SER 56 5.407 12.169 -6.614 384 HB3 SER 56 2HB SER 56 4.373 10.753 -6.426 385 HG SER 56 HG SER 56 3.701 13.343 -7.306 386 H HIS 57 H HIS 57 3.315 10.161 -3.599 387 HA HIS 57 HA HIS 57 5.961 9.334 -2.615 388 HB2 HIS 57 1HB HIS 57 3.481 9.057 -0.932 389 HB3 HIS 57 2HB HIS 57 5.166 8.949 -0.430 390 HD1 HIS 57 1HD HIS 57 6.504 11.286 -0.443 391 HD2 HIS 57 2HD HIS 57 2.363 11.532 -0.670 392 HE1 HIS 57 1HE HIS 57 5.937 13.660 0.163 393 HE2 HIS 57 2HE HIS 57 3.421 13.763 0.101 394 H CYS 58 H CYS 58 6.370 7.173 -2.645 395 HA CYS 58 HA CYS 58 4.195 5.428 -3.598 396 HB2 CYS 58 1HB CYS 58 5.903 5.854 -5.334 397 HB3 CYS 58 2HB CYS 58 7.140 5.220 -4.256 398 HG CYS 58 HG CYS 58 6.658 3.275 -6.164 399 H VAL 59 H VAL 59 3.643 3.910 -2.195 400 HA VAL 59 HA VAL 59 5.471 3.219 -0.025 401 HB VAL 59 HB VAL 59 2.584 2.417 -0.415 402 HG11 VAL 59 1HG1 VAL 59 3.524 2.414 2.299 403 HG12 VAL 59 2HG1 VAL 59 2.807 1.102 1.362 404 HG13 VAL 59 3HG1 VAL 59 4.547 1.384 1.299 405 HG21 VAL 59 1HG2 VAL 59 3.863 4.716 1.029 406 HG22 VAL 59 2HG2 VAL 59 2.534 4.740 -0.130 407 HG23 VAL 59 3HG2 VAL 59 2.277 4.101 1.494 408 H ARG 60 H ARG 60 6.928 1.750 -0.742 409 HA ARG 60 HA ARG 60 6.012 -0.540 -2.305 410 HB2 ARG 60 1HB ARG 60 7.972 0.229 -3.256 411 HB3 ARG 60 2HB ARG 60 8.670 0.682 -1.707 412 HG2 ARG 60 1HG ARG 60 8.997 -1.699 -1.183 413 HG3 ARG 60 2HG ARG 60 8.357 -2.116 -2.774 414 HD2 ARG 60 1HD ARG 60 10.175 -1.055 -3.875 415 HD3 ARG 60 2HD ARG 60 10.726 -0.303 -2.379 416 HE ARG 60 HE ARG 60 10.797 -3.039 -1.965 417 HH11 ARG 60 1HH1 ARG 60 12.306 -0.716 -4.073 418 HH12 ARG 60 2HH1 ARG 60 13.769 -1.628 -4.246 419 HH21 ARG 60 1HH2 ARG 60 12.718 -4.249 -2.184 420 HH22 ARG 60 2HH2 ARG 60 14.002 -3.638 -3.172 421 H PHE 61 H PHE 61 5.526 -2.411 -1.382 422 HA PHE 61 HA PHE 61 6.995 -3.375 0.913 423 HB2 PHE 61 1HB PHE 61 4.901 -3.777 2.239 424 HB3 PHE 61 2HB PHE 61 5.346 -2.081 2.084 425 HD1 PHE 61 1HD PHE 61 2.985 -4.680 1.020 426 HD2 PHE 61 2HD PHE 61 3.971 -0.542 0.877 427 HE1 PHE 61 1HE PHE 61 0.745 -4.181 0.132 428 HE2 PHE 61 2HE PHE 61 1.733 -0.036 -0.011 429 HZ PHE 61 HZ PHE 61 0.116 -1.856 -0.383 430 H VAL 62 H VAL 62 6.283 -5.602 1.527 431 HA VAL 62 HA VAL 62 5.320 -7.037 -0.860 432 HB VAL 62 HB VAL 62 7.138 -8.075 1.318 433 HG11 VAL 62 1HG1 VAL 62 7.470 -9.955 -0.315 434 HG12 VAL 62 2HG1 VAL 62 5.873 -9.883 0.431 435 HG13 VAL 62 3HG1 VAL 62 6.101 -9.313 -1.223 436 HG21 VAL 62 1HG2 VAL 62 7.706 -7.098 -1.472 437 HG22 VAL 62 2HG2 VAL 62 8.375 -6.498 0.046 438 HG23 VAL 62 3HG2 VAL 62 8.832 -8.094 -0.549 439 HA PRO 63 HA PRO 63 1.902 -7.922 1.941 440 HB2 PRO 63 1HB PRO 63 0.289 -8.932 0.006 441 HB3 PRO 63 2HB PRO 63 0.499 -7.198 0.273 442 HG2 PRO 63 1HG PRO 63 1.791 -8.971 -1.764 443 HG3 PRO 63 2HG PRO 63 1.119 -7.342 -1.964 444 HD2 PRO 63 1HD PRO 63 3.775 -7.801 -1.702 445 HD3 PRO 63 2HD PRO 63 2.997 -6.325 -1.095 446 H GLN 64 H GLN 64 0.665 -9.907 2.432 447 HA GLN 64 HA GLN 64 2.375 -12.262 2.112 448 HB2 GLN 64 1HB GLN 64 0.252 -11.494 4.093 449 HB3 GLN 64 2HB GLN 64 0.768 -13.167 3.929 450 HG2 GLN 64 1HG GLN 64 2.422 -10.801 4.757 451 HG3 GLN 64 2HG GLN 64 1.995 -12.218 5.716 452 HE21 GLN 64 1HE2 GLN 64 3.966 -11.009 3.105 453 HE22 GLN 64 2HE2 GLN 64 5.096 -12.316 3.090 454 H GLU 65 H GLU 65 1.066 -14.402 2.127 455 HA GLU 65 HA GLU 65 -0.604 -14.347 -0.225 456 HB2 GLU 65 1HB GLU 65 -0.605 -16.826 0.042 457 HB3 GLU 65 2HB GLU 65 1.004 -16.125 -0.055 458 HG2 GLU 65 1HG GLU 65 -0.187 -16.559 2.631 459 HG3 GLU 65 2HG GLU 65 0.399 -17.957 1.731 460 H MET 66 H MET 66 -2.758 -14.417 -0.298 461 HA MET 66 HA MET 66 -4.912 -14.245 0.444 462 HB2 MET 66 1HB MET 66 -3.962 -16.694 1.934 463 HB3 MET 66 2HB MET 66 -5.648 -16.204 1.838 464 HG2 MET 66 1HG MET 66 -5.573 -17.710 0.138 465 HG3 MET 66 2HG MET 66 -5.174 -16.237 -0.742 466 HE1 MET 66 1HE MET 66 -2.732 -17.355 -2.822 467 HE2 MET 66 2HE MET 66 -3.791 -16.079 -2.221 468 HE3 MET 66 3HE MET 66 -2.077 -16.072 -1.803 469 H GLY 67 H GLY 67 -3.394 -12.411 1.744 470 HA2 GLY 67 1HA GLY 67 -4.599 -12.433 4.434 471 HA3 GLY 67 2HA GLY 67 -2.905 -12.012 4.229 472 H VAL 68 H VAL 68 -5.558 -10.588 5.034 473 HA VAL 68 HA VAL 68 -5.494 -8.357 3.151 474 HB VAL 68 HB VAL 68 -7.293 -8.853 5.527 475 HG11 VAL 68 1HG1 VAL 68 -8.110 -6.924 3.474 476 HG12 VAL 68 2HG1 VAL 68 -8.243 -6.839 5.231 477 HG13 VAL 68 3HG1 VAL 68 -6.721 -6.428 4.440 478 HG21 VAL 68 1HG2 VAL 68 -7.530 -10.399 3.558 479 HG22 VAL 68 2HG2 VAL 68 -8.977 -9.478 3.968 480 HG23 VAL 68 3HG2 VAL 68 -7.979 -8.989 2.598 481 H HIS 69 H HIS 69 -4.139 -6.734 3.492 482 HA HIS 69 HA HIS 69 -3.281 -6.155 6.245 483 HB2 HIS 69 1HB HIS 69 -1.935 -5.219 3.711 484 HB3 HIS 69 2HB HIS 69 -1.278 -5.216 5.345 485 HD1 HIS 69 1HD HIS 69 -2.751 -7.972 3.158 486 HD2 HIS 69 2HD HIS 69 0.589 -7.151 5.489 487 HE1 HIS 69 1HE HIS 69 -1.333 -10.047 3.056 488 HE2 HIS 69 2HE HIS 69 0.640 -9.558 4.543 489 H THR 70 H THR 70 -2.768 -3.810 6.658 490 HA THR 70 HA THR 70 -4.627 -2.019 5.248 491 HB THR 70 HB THR 70 -4.267 -1.878 8.234 492 HG1 THR 70 1HG THR 70 -6.017 -3.191 8.480 493 HG21 THR 70 1HG2 THR 70 -6.766 -1.039 6.921 494 HG22 THR 70 2HG2 THR 70 -5.339 -0.094 6.495 495 HG23 THR 70 3HG2 THR 70 -5.825 -0.244 8.183 496 H VAL 71 H VAL 71 -3.610 -0.285 4.506 497 HA VAL 71 HA VAL 71 -0.962 0.381 5.498 498 HB VAL 71 HB VAL 71 -2.527 1.662 3.254 499 HG11 VAL 71 1HG1 VAL 71 0.084 2.179 4.467 500 HG12 VAL 71 2HG1 VAL 71 0.128 2.003 2.712 501 HG13 VAL 71 3HG1 VAL 71 -0.922 3.213 3.452 502 HG21 VAL 71 1HG2 VAL 71 -0.617 0.264 2.002 503 HG22 VAL 71 2HG2 VAL 71 -0.871 -0.785 3.397 504 HG23 VAL 71 3HG2 VAL 71 -2.222 -0.388 2.335 505 H SER 72 H SER 72 -0.866 1.613 7.262 506 HA SER 72 HA SER 72 -2.871 3.710 7.668 507 HB2 SER 72 1HB SER 72 -0.797 2.570 9.557 508 HB3 SER 72 2HB SER 72 -1.969 3.820 9.976 509 HG SER 72 HG SER 72 -2.740 1.294 8.962 510 H VAL 73 H VAL 73 -2.409 5.715 7.087 511 HA VAL 73 HA VAL 73 0.387 6.628 7.237 512 HB VAL 73 HB VAL 73 -1.567 7.386 5.061 513 HG11 VAL 73 1HG1 VAL 73 1.383 7.936 5.120 514 HG12 VAL 73 2HG1 VAL 73 0.140 8.676 4.110 515 HG13 VAL 73 3HG1 VAL 73 0.218 9.051 5.832 516 HG21 VAL 73 1HG2 VAL 73 -0.793 5.047 4.885 517 HG22 VAL 73 2HG2 VAL 73 -0.214 6.058 3.561 518 HG23 VAL 73 3HG2 VAL 73 0.874 5.623 4.879 519 H LYS 74 H LYS 74 0.235 7.850 9.052 520 HA LYS 74 HA LYS 74 -1.892 9.876 9.180 521 HB2 LYS 74 1HB LYS 74 -0.272 8.445 11.238 522 HB3 LYS 74 2HB LYS 74 -0.840 10.068 11.607 523 HG2 LYS 74 1HG LYS 74 -3.150 9.151 10.864 524 HG3 LYS 74 2HG LYS 74 -2.412 7.572 11.145 525 HD2 LYS 74 1HD LYS 74 -2.847 9.805 13.114 526 HD3 LYS 74 2HD LYS 74 -3.486 8.161 13.168 527 HE2 LYS 74 1HE LYS 74 -1.100 7.368 13.356 528 HE3 LYS 74 2HE LYS 74 -0.640 9.055 13.580 529 HZ1 LYS 74 1HZ LYS 74 -2.524 7.543 15.308 530 HZ2 LYS 74 2HZ LYS 74 -2.052 9.152 15.531 531 HZ3 LYS 74 3HZ LYS 74 -0.917 7.907 15.693 532 H TYR 75 H TYR 75 -1.277 12.012 10.048 533 HA TYR 75 HA TYR 75 1.502 12.758 9.467 534 HB2 TYR 75 1HB TYR 75 0.065 13.251 7.485 535 HB3 TYR 75 2HB TYR 75 -0.898 14.322 8.496 536 HD1 TYR 75 2HD TYR 75 0.016 16.451 9.276 537 HD2 TYR 75 1HD TYR 75 2.269 13.893 6.731 538 HE1 TYR 75 2HE TYR 75 1.553 18.307 8.782 539 HE2 TYR 75 1HE TYR 75 3.814 15.740 6.231 540 HH TYR 75 HH TYR 75 3.645 18.338 6.253 541 H ARG 76 H ARG 76 2.225 13.425 11.384 542 HA ARG 76 HA ARG 76 2.414 14.554 13.350 543 HB2 ARG 76 1HB ARG 76 0.783 16.387 11.650 544 HB3 ARG 76 2HB ARG 76 0.969 16.772 13.356 545 HG2 ARG 76 1HG ARG 76 3.410 16.726 13.083 546 HG3 ARG 76 2HG ARG 76 3.194 16.396 11.363 547 HD2 ARG 76 1HD ARG 76 2.178 18.510 10.998 548 HD3 ARG 76 2HD ARG 76 2.028 18.809 12.729 549 HE ARG 76 HE ARG 76 4.337 19.261 11.090 550 HH11 ARG 76 1HH1 ARG 76 3.228 18.577 14.319 551 HH12 ARG 76 2HH1 ARG 76 4.625 19.260 15.083 552 HH21 ARG 76 1HH2 ARG 76 6.181 20.162 12.085 553 HH22 ARG 76 2HH2 ARG 76 6.304 20.162 13.812 554 H GLY 77 H GLY 77 0.254 12.542 12.978 555 HA2 GLY 77 1HA GLY 77 -1.113 11.617 14.655 556 HA3 GLY 77 2HA GLY 77 -1.203 13.195 15.422 557 H GLN 78 H GLN 78 -1.806 12.709 12.010 558 HA GLN 78 HA GLN 78 -4.693 12.838 12.434 559 HB2 GLN 78 1HB GLN 78 -3.108 14.853 10.838 560 HB3 GLN 78 2HB GLN 78 -4.852 14.663 10.706 561 HG2 GLN 78 1HG GLN 78 -5.102 15.232 13.062 562 HG3 GLN 78 2HG GLN 78 -3.353 15.405 13.209 563 HE21 GLN 78 1HE2 GLN 78 -6.026 17.142 13.088 564 HE22 GLN 78 2HE2 GLN 78 -5.470 18.557 12.269 565 H HIS 79 H HIS 79 -5.573 11.288 11.251 566 HA HIS 79 HA HIS 79 -4.174 9.904 9.215 567 HB2 HIS 79 1HB HIS 79 -6.965 9.837 10.290 568 HB3 HIS 79 2HB HIS 79 -6.614 9.007 8.777 569 HD1 HIS 79 1HD HIS 79 -4.435 7.287 9.024 570 HD2 HIS 79 2HD HIS 79 -6.557 8.280 12.456 571 HE1 HIS 79 1HE HIS 79 -3.870 5.503 10.704 572 HE2 HIS 79 2HE HIS 79 -5.231 6.078 12.743 573 H VAL 80 H VAL 80 -3.909 10.416 7.151 574 HA VAL 80 HA VAL 80 -5.067 12.734 6.000 575 HB VAL 80 HB VAL 80 -3.953 12.081 3.937 576 HG11 VAL 80 1HG1 VAL 80 -2.727 12.902 6.116 577 HG12 VAL 80 2HG1 VAL 80 -1.975 11.308 6.023 578 HG13 VAL 80 3HG1 VAL 80 -1.816 12.439 4.679 579 HG21 VAL 80 1HG2 VAL 80 -2.709 9.965 3.795 580 HG22 VAL 80 2HG2 VAL 80 -3.385 9.474 5.348 581 HG23 VAL 80 3HG2 VAL 80 -4.445 9.702 3.957 582 H THR 81 H THR 81 -6.293 12.760 3.956 583 HA THR 81 HA THR 81 -8.711 11.354 4.182 584 HB THR 81 HB THR 81 -7.655 12.669 1.674 585 HG1 THR 81 1HG THR 81 -8.733 14.540 2.521 586 HG21 THR 81 1HG2 THR 81 -10.346 13.146 1.831 587 HG22 THR 81 2HG2 THR 81 -10.221 11.512 2.483 588 HG23 THR 81 3HG2 THR 81 -9.597 11.870 0.873 589 H GLY 82 H GLY 82 -9.303 9.379 3.559 590 HA2 GLY 82 1HA GLY 82 -9.431 7.643 1.911 591 HA3 GLY 82 2HA GLY 82 -7.811 8.075 1.384 592 H SER 83 H SER 83 -6.683 8.210 4.035 593 HA SER 83 HA SER 83 -6.257 5.364 4.422 594 HB2 SER 83 1HB SER 83 -4.192 6.333 4.561 595 HB3 SER 83 2HB SER 83 -4.833 7.860 5.167 596 HG SER 83 HG SER 83 -5.091 6.870 7.199 597 HA PRO 84 HA PRO 84 -5.104 4.282 6.201 598 HB2 PRO 84 1HB PRO 84 -6.059 1.924 7.148 599 HB3 PRO 84 2HB PRO 84 -5.262 3.120 8.176 600 HG2 PRO 84 1HG PRO 84 -8.185 2.602 7.790 601 HG3 PRO 84 2HG PRO 84 -7.293 2.917 9.290 602 HD2 PRO 84 1HD PRO 84 -8.734 4.827 8.023 603 HD3 PRO 84 2HD PRO 84 -7.259 5.195 8.939 604 H PHE 85 H PHE 85 -4.779 2.886 4.489 605 HA PHE 85 HA PHE 85 -7.119 2.437 2.783 606 HB2 PHE 85 1HB PHE 85 -4.164 2.343 2.138 607 HB3 PHE 85 2HB PHE 85 -5.459 2.073 0.977 608 HD1 PHE 85 2HD PHE 85 -6.963 3.934 0.352 609 HD2 PHE 85 1HD PHE 85 -3.535 4.526 2.805 610 HE1 PHE 85 2HE PHE 85 -7.062 6.351 -0.098 611 HE2 PHE 85 1HE PHE 85 -3.629 6.944 2.359 612 HZ PHE 85 HZ PHE 85 -5.394 7.859 0.905 613 H GLN 86 H GLN 86 -8.049 0.517 3.039 614 HA GLN 86 HA GLN 86 -6.452 -1.792 3.823 615 HB2 GLN 86 1HB GLN 86 -8.791 -1.079 4.771 616 HB3 GLN 86 2HB GLN 86 -9.405 -1.901 3.343 617 HG2 GLN 86 1HG GLN 86 -7.959 -3.878 4.113 618 HG3 GLN 86 2HG GLN 86 -7.896 -3.037 5.661 619 HE21 GLN 86 1HE2 GLN 86 -9.526 -3.298 7.036 620 HE22 GLN 86 2HE2 GLN 86 -11.028 -4.070 6.672 621 H PHE 87 H PHE 87 -6.104 -3.567 2.573 622 HA PHE 87 HA PHE 87 -7.429 -3.819 -0.002 623 HB2 PHE 87 1HB PHE 87 -5.397 -3.879 -1.298 624 HB3 PHE 87 2HB PHE 87 -5.434 -2.366 -0.399 625 HD1 PHE 87 2HD PHE 87 -3.992 -5.777 -0.401 626 HD2 PHE 87 1HD PHE 87 -3.694 -1.786 1.048 627 HE1 PHE 87 2HE PHE 87 -1.776 -6.288 0.538 628 HE2 PHE 87 1HE PHE 87 -1.477 -2.290 1.988 629 HZ PHE 87 HZ PHE 87 -0.516 -4.543 1.735 630 H THR 88 H THR 88 -7.231 -5.897 -0.938 631 HA THR 88 HA THR 88 -6.322 -7.951 0.968 632 HB THR 88 HB THR 88 -8.447 -8.147 -1.176 633 HG1 THR 88 1HG THR 88 -9.670 -7.456 0.398 634 HG21 THR 88 1HG2 THR 88 -7.510 -10.204 0.829 635 HG22 THR 88 2HG2 THR 88 -7.253 -10.263 -0.915 636 HG23 THR 88 3HG2 THR 88 -8.886 -10.381 -0.260 637 H VAL 89 H VAL 89 -5.070 -9.656 0.268 638 HA VAL 89 HA VAL 89 -3.874 -9.323 -2.401 639 HB VAL 89 HB VAL 89 -2.697 -10.842 -0.075 640 HG11 VAL 89 1HG1 VAL 89 -0.917 -11.270 -1.382 641 HG12 VAL 89 2HG1 VAL 89 -2.053 -10.989 -2.703 642 HG13 VAL 89 3HG1 VAL 89 -0.983 -9.693 -2.167 643 HG21 VAL 89 1HG2 VAL 89 -1.658 -8.180 -0.901 644 HG22 VAL 89 2HG2 VAL 89 -3.098 -8.239 0.115 645 HG23 VAL 89 3HG2 VAL 89 -1.596 -8.979 0.670 646 H GLY 90 H GLY 90 -3.933 -10.942 -3.863 647 HA2 GLY 90 1HA GLY 90 -5.335 -13.405 -3.046 648 HA3 GLY 90 2HA GLY 90 -5.360 -12.728 -4.668 649 HA PRO 91 HA PRO 91 -2.300 -16.162 -4.732 650 HB2 PRO 91 1HB PRO 91 -2.992 -17.018 -7.214 651 HB3 PRO 91 2HB PRO 91 -3.836 -17.535 -5.749 652 HG2 PRO 91 1HG PRO 91 -4.601 -15.427 -7.733 653 HG3 PRO 91 2HG PRO 91 -5.618 -16.654 -6.955 654 HD2 PRO 91 1HD PRO 91 -5.546 -14.079 -6.120 655 HD3 PRO 91 2HD PRO 91 -5.817 -15.436 -5.008 656 H LEU 92 H LEU 92 -0.289 -16.049 -5.585 657 HA LEU 92 HA LEU 92 0.717 -13.753 -6.719 658 HB2 LEU 92 1HB LEU 92 2.382 -15.067 -5.901 659 HB3 LEU 92 2HB LEU 92 1.650 -16.554 -6.500 660 HG LEU 92 HG LEU 92 2.875 -14.631 -8.433 661 HD11 LEU 92 1HD1 LEU 92 4.985 -16.048 -8.152 662 HD12 LEU 92 2HD1 LEU 92 4.330 -16.480 -6.573 663 HD13 LEU 92 3HD1 LEU 92 4.674 -14.793 -6.953 664 HD21 LEU 92 1HD2 LEU 92 2.303 -16.263 -9.822 665 HD22 LEU 92 2HD2 LEU 92 1.758 -17.269 -8.480 666 HD23 LEU 92 3HD2 LEU 92 3.444 -17.325 -8.996 667 H GLY 93 H GLY 93 -0.204 -16.753 -8.405 668 HA2 GLY 93 1HA GLY 93 -1.447 -15.752 -10.579 669 HA3 GLY 93 2HA GLY 93 0.248 -15.539 -10.993 670 H GLU 94 H GLU 94 -1.441 -17.126 -12.515 671 HA GLU 94 HA GLU 94 -1.746 -19.764 -12.057 672 HB2 GLU 94 1HB GLU 94 -0.782 -18.368 -14.543 673 HB3 GLU 94 2HB GLU 94 -1.072 -20.102 -14.516 674 HG2 GLU 94 1HG GLU 94 -3.361 -19.838 -14.182 675 HG3 GLU 94 2HG GLU 94 -3.184 -18.167 -13.648 676 H GLY 95 H GLY 95 -0.409 -21.078 -10.988 677 HA2 GLY 95 1HA GLY 95 2.469 -20.963 -11.586 678 HA3 GLY 95 2HA GLY 95 1.753 -21.669 -10.145 679 H GLY 96 H GLY 96 3.152 -23.504 -10.640 680 HA2 GLY 96 1HA GLY 96 2.002 -25.769 -11.416 681 HA3 GLY 96 2HA GLY 96 2.419 -25.083 -12.979 682 H SER 97 H SER 97 3.379 -27.386 -11.057 683 HA SER 97 HA SER 97 6.218 -26.781 -10.931 684 HB2 SER 97 1HB SER 97 4.499 -29.043 -9.955 685 HB3 SER 97 2HB SER 97 6.250 -29.229 -10.038 686 HG SER 97 HG SER 97 4.787 -27.968 -8.187 687 H GLY 98 H GLY 98 5.011 -26.914 -13.542 688 HA2 GLY 98 1HA GLY 98 5.814 -29.449 -14.698 689 HA3 GLY 98 2HA GLY 98 5.138 -28.074 -15.559 690 HA PRO 99 HA PRO 99 9.609 -28.352 -16.684 691 HB2 PRO 99 1HB PRO 99 9.205 -27.863 -19.324 692 HB3 PRO 99 2HB PRO 99 9.100 -29.481 -18.620 693 HG2 PRO 99 1HG PRO 99 6.902 -27.569 -19.311 694 HG3 PRO 99 2HG PRO 99 6.989 -29.320 -19.582 695 HD2 PRO 99 1HD PRO 99 5.600 -28.230 -17.529 696 HD3 PRO 99 2HD PRO 99 6.398 -29.812 -17.410 697 H SER 100 H SER 100 10.486 -26.511 -15.924 698 HA SER 100 HA SER 100 9.449 -23.928 -16.794 699 HB2 SER 100 1HB SER 100 9.998 -24.389 -14.379 700 HB3 SER 100 2HB SER 100 11.697 -24.472 -14.845 701 HG SER 100 HG SER 100 9.954 -22.261 -14.866 702 H SER 101 H SER 101 10.364 -22.727 -18.324 703 HA SER 101 HA SER 101 13.184 -23.133 -18.994 704 HB2 SER 101 1HB SER 101 10.852 -23.545 -20.829 705 HB3 SER 101 2HB SER 101 12.362 -22.914 -21.484 706 HG SER 101 HG SER 101 13.374 -24.767 -20.987 707 H GLY 102 H GLY 102 14.242 -21.298 -19.543 708 HA2 GLY 102 1HA GLY 102 13.482 -19.062 -20.826 709 HA3 GLY 102 2HA GLY 102 12.796 -18.804 -19.229 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -23.854 -0.788 16.367 2 HA2 GLY 1 1HA GLY 1 -25.436 0.393 14.219 3 HA3 GLY 1 2HA GLY 1 -24.195 1.414 14.930 4 H SER 2 H SER 2 -24.873 -1.116 12.733 5 HA SER 2 HA SER 2 -22.002 -1.576 12.284 6 HB2 SER 2 1HB SER 2 -24.428 -3.240 11.601 7 HB3 SER 2 2HB SER 2 -22.826 -3.577 10.946 8 HG SER 2 HG SER 2 -22.079 -3.852 13.070 9 H SER 3 H SER 3 -21.439 -2.008 9.939 10 HA SER 3 HA SER 3 -22.910 -0.146 8.190 11 HB2 SER 3 1HB SER 3 -20.796 0.526 7.185 12 HB3 SER 3 2HB SER 3 -20.725 0.779 8.929 13 HG SER 3 HG SER 3 -19.566 -1.179 9.092 14 H GLY 4 H GLY 4 -20.705 -2.937 8.244 15 HA2 GLY 4 1HA GLY 4 -20.856 -4.900 7.014 16 HA3 GLY 4 2HA GLY 4 -22.265 -4.244 6.195 17 H SER 5 H SER 5 -22.036 -3.234 4.245 18 HA SER 5 HA SER 5 -21.072 -3.058 2.165 19 HB2 SER 5 1HB SER 5 -20.439 -0.961 3.621 20 HB3 SER 5 2HB SER 5 -18.807 -1.619 3.499 21 HG SER 5 HG SER 5 -19.470 -1.729 1.107 22 H SER 6 H SER 6 -20.424 -5.516 3.277 23 HA SER 6 HA SER 6 -17.616 -5.878 2.456 24 HB2 SER 6 1HB SER 6 -17.426 -7.705 3.961 25 HB3 SER 6 2HB SER 6 -18.254 -6.438 4.866 26 HG SER 6 HG SER 6 -19.875 -7.742 5.083 27 H GLY 7 H GLY 7 -17.090 -7.770 1.239 28 HA2 GLY 7 1HA GLY 7 -18.722 -9.760 0.328 29 HA3 GLY 7 2HA GLY 7 -19.092 -8.403 -0.725 30 H ARG 8 H ARG 8 -18.132 -10.614 -1.894 31 HA ARG 8 HA ARG 8 -15.396 -10.982 -2.085 32 HB2 ARG 8 1HB ARG 8 -17.514 -11.254 -4.223 33 HB3 ARG 8 2HB ARG 8 -15.864 -11.840 -4.390 34 HG2 ARG 8 1HG ARG 8 -17.723 -12.727 -2.199 35 HG3 ARG 8 2HG ARG 8 -17.557 -13.564 -3.744 36 HD2 ARG 8 1HD ARG 8 -15.180 -13.909 -3.307 37 HD3 ARG 8 2HD ARG 8 -15.331 -13.049 -1.775 38 HE ARG 8 HE ARG 8 -16.109 -14.976 -0.847 39 HH11 ARG 8 1HH1 ARG 8 -16.594 -15.137 -4.291 40 HH12 ARG 8 2HH1 ARG 8 -17.184 -16.766 -4.263 41 HH21 ARG 8 1HH2 ARG 8 -16.883 -17.121 -0.797 42 HH22 ARG 8 2HH2 ARG 8 -17.349 -17.893 -2.275 43 H ALA 9 H ALA 9 -13.747 -10.016 -3.161 44 HA ALA 9 HA ALA 9 -14.357 -7.743 -4.912 45 HB1 ALA 9 1HB ALA 9 -13.906 -6.492 -3.048 46 HB2 ALA 9 2HB ALA 9 -12.785 -7.682 -2.385 47 HB3 ALA 9 3HB ALA 9 -12.284 -6.650 -3.724 48 HA PRO 10 HA PRO 10 -11.176 -9.289 -7.510 49 HB2 PRO 10 1HB PRO 10 -10.106 -7.004 -8.512 50 HB3 PRO 10 2HB PRO 10 -11.701 -7.604 -8.981 51 HG2 PRO 10 1HG PRO 10 -10.984 -5.475 -7.001 52 HG3 PRO 10 2HG PRO 10 -12.273 -5.482 -8.219 53 HD2 PRO 10 1HD PRO 10 -12.735 -6.013 -5.604 54 HD3 PRO 10 2HD PRO 10 -13.673 -6.764 -6.911 55 H SER 11 H SER 11 -8.757 -8.803 -8.109 56 HA SER 11 HA SER 11 -7.305 -8.670 -5.567 57 HB2 SER 11 1HB SER 11 -6.397 -9.708 -8.263 58 HB3 SER 11 2HB SER 11 -5.482 -9.803 -6.759 59 HG SER 11 HG SER 11 -6.583 -11.511 -6.260 60 H VAL 12 H VAL 12 -7.009 -6.499 -5.231 61 HA VAL 12 HA VAL 12 -6.149 -4.704 -7.278 62 HB VAL 12 HB VAL 12 -5.808 -3.089 -5.446 63 HG11 VAL 12 1HG1 VAL 12 -8.388 -4.645 -5.307 64 HG12 VAL 12 2HG1 VAL 12 -8.149 -3.016 -4.671 65 HG13 VAL 12 3HG1 VAL 12 -8.019 -3.315 -6.404 66 HG21 VAL 12 1HG2 VAL 12 -6.188 -5.539 -3.779 67 HG22 VAL 12 2HG2 VAL 12 -5.004 -4.243 -3.615 68 HG23 VAL 12 3HG2 VAL 12 -6.683 -3.967 -3.150 69 H ALA 13 H ALA 13 -4.540 -6.542 -4.743 70 HA ALA 13 HA ALA 13 -1.949 -5.663 -5.843 71 HB1 ALA 13 1HB ALA 13 -1.095 -5.339 -3.790 72 HB2 ALA 13 2HB ALA 13 -2.786 -5.192 -3.310 73 HB3 ALA 13 3HB ALA 13 -1.941 -6.726 -3.105 74 H THR 14 H THR 14 -0.170 -7.321 -5.206 75 HA THR 14 HA THR 14 -1.210 -10.032 -5.724 76 HB THR 14 HB THR 14 1.396 -8.860 -6.718 77 HG1 THR 14 1HG THR 14 -0.873 -9.674 -8.232 78 HG21 THR 14 1HG2 THR 14 1.548 -10.963 -8.014 79 HG22 THR 14 2HG2 THR 14 0.127 -11.565 -7.160 80 HG23 THR 14 3HG2 THR 14 1.614 -11.232 -6.273 81 H VAL 15 H VAL 15 0.054 -11.796 -4.886 82 HA VAL 15 HA VAL 15 1.198 -11.165 -2.293 83 HB VAL 15 HB VAL 15 -0.362 -13.006 -2.373 84 HG11 VAL 15 1HG1 VAL 15 1.130 -15.002 -3.750 85 HG12 VAL 15 2HG1 VAL 15 -0.481 -14.380 -4.112 86 HG13 VAL 15 3HG1 VAL 15 0.942 -13.608 -4.812 87 HG21 VAL 15 1HG2 VAL 15 1.104 -14.832 -1.458 88 HG22 VAL 15 2HG2 VAL 15 2.493 -13.838 -1.895 89 HG23 VAL 15 3HG2 VAL 15 1.325 -13.250 -0.712 90 H GLY 16 H GLY 16 3.305 -11.199 -1.792 91 HA2 GLY 16 1HA GLY 16 5.557 -11.773 -1.930 92 HA3 GLY 16 2HA GLY 16 5.202 -12.710 -3.374 93 H SER 17 H SER 17 4.003 -10.746 -4.948 94 HA SER 17 HA SER 17 6.308 -9.434 -5.972 95 HB2 SER 17 1HB SER 17 3.376 -9.181 -6.668 96 HB3 SER 17 2HB SER 17 4.666 -8.371 -7.556 97 HG SER 17 HG SER 17 5.521 -10.408 -8.061 98 H ILE 18 H ILE 18 6.985 -7.362 -5.795 99 HA ILE 18 HA ILE 18 6.403 -5.843 -3.564 100 HB ILE 18 HB ILE 18 7.416 -4.803 -6.213 101 HG12 ILE 18 1HG1 ILE 18 8.698 -6.728 -5.202 102 HG13 ILE 18 2HG1 ILE 18 9.626 -5.248 -5.416 103 HG21 ILE 18 1HG2 ILE 18 6.743 -3.455 -3.818 104 HG22 ILE 18 2HG2 ILE 18 8.500 -3.452 -3.957 105 HG23 ILE 18 3HG2 ILE 18 7.512 -2.801 -5.264 106 HD11 ILE 18 1HD1 ILE 18 10.057 -5.105 -3.245 107 HD12 ILE 18 2HD1 ILE 18 8.371 -5.387 -2.810 108 HD13 ILE 18 3HD1 ILE 18 9.443 -6.753 -3.120 109 H CYS 19 H CYS 19 4.948 -4.308 -3.038 110 HA CYS 19 HA CYS 19 2.875 -3.697 -5.033 111 HB2 CYS 19 1HB CYS 19 2.150 -4.902 -2.968 112 HB3 CYS 19 2HB CYS 19 2.669 -3.512 -2.022 113 HG CYS 19 HG CYS 19 0.434 -2.972 -4.507 114 H ASP 20 H ASP 20 2.303 -1.611 -5.469 115 HA ASP 20 HA ASP 20 3.850 0.498 -4.111 116 HB2 ASP 20 1HB ASP 20 3.211 0.192 -7.045 117 HB3 ASP 20 2HB ASP 20 3.741 1.718 -6.342 118 H LEU 21 H LEU 21 2.645 1.984 -3.144 119 HA LEU 21 HA LEU 21 -0.205 2.134 -3.799 120 HB2 LEU 21 1HB LEU 21 0.784 1.798 -1.423 121 HB3 LEU 21 2HB LEU 21 1.090 3.532 -1.492 122 HG LEU 21 HG LEU 21 -1.316 3.931 -1.797 123 HD11 LEU 21 1HD1 LEU 21 -2.694 2.316 -2.424 124 HD12 LEU 21 2HD1 LEU 21 -2.328 1.405 -0.959 125 HD13 LEU 21 3HD1 LEU 21 -1.351 1.174 -2.409 126 HD21 LEU 21 1HD2 LEU 21 -0.037 3.495 0.494 127 HD22 LEU 21 2HD2 LEU 21 -1.207 2.179 0.592 128 HD23 LEU 21 3HD2 LEU 21 -1.764 3.844 0.429 129 H ASN 22 H ASN 22 -0.828 3.669 -5.154 130 HA ASN 22 HA ASN 22 0.825 5.886 -5.844 131 HB2 ASN 22 1HB ASN 22 -2.099 5.455 -6.490 132 HB3 ASN 22 2HB ASN 22 -0.990 6.545 -7.318 133 HD21 ASN 22 1HD2 ASN 22 0.965 5.468 -8.262 134 HD22 ASN 22 2HD2 ASN 22 0.722 3.942 -9.035 135 H LEU 23 H LEU 23 1.186 7.361 -4.283 136 HA LEU 23 HA LEU 23 -1.171 8.708 -3.150 137 HB2 LEU 23 1HB LEU 23 1.260 7.678 -1.751 138 HB3 LEU 23 2HB LEU 23 0.425 9.098 -1.126 139 HG LEU 23 HG LEU 23 -1.071 6.551 -1.623 140 HD11 LEU 23 1HD1 LEU 23 -0.211 6.951 1.126 141 HD12 LEU 23 2HD1 LEU 23 1.127 6.617 0.027 142 HD13 LEU 23 3HD1 LEU 23 -0.222 5.488 0.142 143 HD21 LEU 23 1HD2 LEU 23 -1.461 9.073 -0.087 144 HD22 LEU 23 2HD2 LEU 23 -2.217 7.591 0.499 145 HD23 LEU 23 3HD2 LEU 23 -2.589 8.192 -1.118 146 H LYS 24 H LYS 24 -1.204 10.714 -3.896 147 HA LYS 24 HA LYS 24 1.331 12.202 -4.043 148 HB2 LYS 24 1HB LYS 24 0.754 13.178 -6.118 149 HB3 LYS 24 2HB LYS 24 0.433 11.458 -6.302 150 HG2 LYS 24 1HG LYS 24 -1.981 12.026 -5.688 151 HG3 LYS 24 2HG LYS 24 -1.525 13.704 -5.988 152 HD2 LYS 24 1HD LYS 24 -2.423 12.932 -8.022 153 HD3 LYS 24 2HD LYS 24 -0.673 12.905 -8.249 154 HE2 LYS 24 1HE LYS 24 -0.695 10.489 -7.668 155 HE3 LYS 24 2HE LYS 24 -2.456 10.558 -7.607 156 HZ1 LYS 24 1HZ LYS 24 -2.000 9.804 -9.735 157 HZ2 LYS 24 2HZ LYS 24 -0.681 10.841 -9.947 158 HZ3 LYS 24 3HZ LYS 24 -2.256 11.459 -9.977 159 H ILE 25 H ILE 25 1.302 13.953 -2.809 160 HA ILE 25 HA ILE 25 -1.065 15.610 -2.631 161 HB ILE 25 HB ILE 25 0.118 14.614 -0.050 162 HG12 ILE 25 1HG1 ILE 25 -2.346 13.582 -1.473 163 HG13 ILE 25 2HG1 ILE 25 -0.844 12.693 -1.241 164 HG21 ILE 25 1HG2 ILE 25 -1.951 15.506 0.902 165 HG22 ILE 25 2HG2 ILE 25 -1.055 16.748 0.029 166 HG23 ILE 25 3HG2 ILE 25 -2.476 16.004 -0.706 167 HD11 ILE 25 1HD1 ILE 25 -3.097 12.909 0.490 168 HD12 ILE 25 2HD1 ILE 25 -1.653 11.909 0.657 169 HD13 ILE 25 3HD1 ILE 25 -1.670 13.550 1.304 170 HA PRO 26 HA PRO 26 2.339 18.487 -2.653 171 HB2 PRO 26 1HB PRO 26 0.804 20.725 -2.719 172 HB3 PRO 26 2HB PRO 26 1.089 19.714 -4.140 173 HG2 PRO 26 1HG PRO 26 -1.274 19.777 -2.304 174 HG3 PRO 26 2HG PRO 26 -1.235 19.674 -4.074 175 HD2 PRO 26 1HD PRO 26 -1.639 17.510 -2.496 176 HD3 PRO 26 2HD PRO 26 -0.798 17.411 -4.057 177 H GLU 27 H GLU 27 -0.519 19.189 -0.629 178 HA GLU 27 HA GLU 27 0.691 20.874 1.205 179 HB2 GLU 27 1HB GLU 27 -1.671 19.055 1.298 180 HB3 GLU 27 2HB GLU 27 -1.100 19.753 2.807 181 HG2 GLU 27 1HG GLU 27 -1.592 21.508 0.445 182 HG3 GLU 27 2HG GLU 27 -2.940 20.957 1.438 183 H ILE 28 H ILE 28 0.425 17.338 1.281 184 HA ILE 28 HA ILE 28 1.836 17.089 3.761 185 HB ILE 28 HB ILE 28 1.346 14.945 1.693 186 HG12 ILE 28 1HG1 ILE 28 -0.729 16.151 2.474 187 HG13 ILE 28 2HG1 ILE 28 -0.700 14.425 2.817 188 HG21 ILE 28 1HG2 ILE 28 2.759 13.882 3.099 189 HG22 ILE 28 2HG2 ILE 28 2.435 14.988 4.433 190 HG23 ILE 28 3HG2 ILE 28 1.298 13.691 4.068 191 HD11 ILE 28 1HD1 ILE 28 -1.473 15.266 4.796 192 HD12 ILE 28 2HD1 ILE 28 0.260 15.207 5.116 193 HD13 ILE 28 3HD1 ILE 28 -0.504 16.735 4.678 194 H ASN 29 H ASN 29 3.942 16.431 4.119 195 HA ASN 29 HA ASN 29 5.739 16.686 1.802 196 HB2 ASN 29 1HB ASN 29 6.543 17.033 4.688 197 HB3 ASN 29 2HB ASN 29 7.410 17.556 3.247 198 HD21 ASN 29 1HD2 ASN 29 6.039 19.074 1.829 199 HD22 ASN 29 2HD2 ASN 29 5.241 20.352 2.674 200 H SER 30 H SER 30 7.080 15.057 1.285 201 HA SER 30 HA SER 30 6.660 12.467 2.172 202 HB2 SER 30 1HB SER 30 8.813 11.919 1.051 203 HB3 SER 30 2HB SER 30 7.764 12.928 0.055 204 HG SER 30 HG SER 30 10.239 13.459 1.071 205 H SER 31 H SER 31 8.602 14.974 3.544 206 HA SER 31 HA SER 31 10.211 13.226 5.170 207 HB2 SER 31 1HB SER 31 10.861 15.410 6.297 208 HB3 SER 31 2HB SER 31 11.218 15.302 4.574 209 HG SER 31 HG SER 31 10.238 17.239 4.826 210 H ASP 32 H ASP 32 7.196 14.936 5.479 211 HA ASP 32 HA ASP 32 7.038 14.237 8.326 212 HB2 ASP 32 1HB ASP 32 5.422 16.140 6.625 213 HB3 ASP 32 2HB ASP 32 4.997 15.730 8.284 214 H MET 33 H MET 33 6.721 12.358 6.034 215 HA MET 33 HA MET 33 3.916 11.565 6.410 216 HB2 MET 33 1HB MET 33 5.917 11.082 4.236 217 HB3 MET 33 2HB MET 33 4.589 9.950 4.458 218 HG2 MET 33 1HG MET 33 2.982 11.736 4.143 219 HG3 MET 33 2HG MET 33 4.289 12.908 3.993 220 HE1 MET 33 1HE MET 33 2.891 9.557 2.512 221 HE2 MET 33 2HE MET 33 3.750 9.461 0.975 222 HE3 MET 33 3HE MET 33 4.635 9.296 2.492 223 H SER 34 H SER 34 3.447 9.284 6.705 224 HA SER 34 HA SER 34 5.602 7.570 7.611 225 HB2 SER 34 1HB SER 34 3.449 8.575 9.480 226 HB3 SER 34 2HB SER 34 4.425 7.144 9.812 227 HG SER 34 HG SER 34 5.067 9.777 10.059 228 H ALA 35 H ALA 35 5.204 5.649 6.759 229 HA ALA 35 HA ALA 35 2.401 4.768 6.510 230 HB1 ALA 35 1HB ALA 35 4.679 4.367 4.581 231 HB2 ALA 35 2HB ALA 35 3.147 3.497 4.485 232 HB3 ALA 35 3HB ALA 35 3.177 5.252 4.310 233 H HIS 36 H HIS 36 1.909 2.748 7.198 234 HA HIS 36 HA HIS 36 4.101 0.947 7.943 235 HB2 HIS 36 1HB HIS 36 1.747 1.560 9.741 236 HB3 HIS 36 2HB HIS 36 3.075 0.459 10.093 237 HD1 HIS 36 1HD HIS 36 2.046 3.944 10.420 238 HD2 HIS 36 2HD HIS 36 5.621 1.828 10.454 239 HE1 HIS 36 1HE HIS 36 3.737 5.498 11.446 240 HE2 HIS 36 2HE HIS 36 5.911 4.227 11.377 241 H VAL 37 H VAL 37 3.783 -1.058 7.232 242 HA VAL 37 HA VAL 37 1.226 -1.746 6.038 243 HB VAL 37 HB VAL 37 3.852 -3.237 6.089 244 HG11 VAL 37 1HG1 VAL 37 2.928 -4.839 4.632 245 HG12 VAL 37 2HG1 VAL 37 1.742 -4.646 5.925 246 HG13 VAL 37 3HG1 VAL 37 1.477 -3.874 4.362 247 HG21 VAL 37 1HG2 VAL 37 2.677 -1.205 4.330 248 HG22 VAL 37 2HG2 VAL 37 4.363 -1.663 4.568 249 HG23 VAL 37 3HG2 VAL 37 3.336 -2.612 3.494 250 H THR 38 H THR 38 -0.239 -2.301 7.562 251 HA THR 38 HA THR 38 0.497 -4.001 9.791 252 HB THR 38 HB THR 38 -2.295 -3.119 9.068 253 HG1 THR 38 1HG THR 38 -0.708 -1.704 10.910 254 HG21 THR 38 1HG2 THR 38 -2.363 -4.741 10.774 255 HG22 THR 38 2HG2 THR 38 -2.470 -3.196 11.616 256 HG23 THR 38 3HG2 THR 38 -0.942 -4.075 11.578 257 H SER 39 H SER 39 -0.359 -6.060 10.203 258 HA SER 39 HA SER 39 -1.279 -7.476 7.792 259 HB2 SER 39 1HB SER 39 0.324 -8.405 10.173 260 HB3 SER 39 2HB SER 39 -0.431 -9.535 9.050 261 HG SER 39 HG SER 39 1.840 -8.084 8.766 262 HA PRO 40 HA PRO 40 -5.118 -8.468 9.674 263 HB2 PRO 40 1HB PRO 40 -5.602 -10.919 8.612 264 HB3 PRO 40 2HB PRO 40 -5.712 -9.427 7.672 265 HG2 PRO 40 1HG PRO 40 -3.480 -11.416 7.812 266 HG3 PRO 40 2HG PRO 40 -4.160 -10.596 6.395 267 HD2 PRO 40 1HD PRO 40 -1.858 -9.796 7.574 268 HD3 PRO 40 2HD PRO 40 -2.973 -8.660 6.787 269 H SER 41 H SER 41 -2.293 -9.985 10.523 270 HA SER 41 HA SER 41 -3.612 -11.816 12.407 271 HB2 SER 41 1HB SER 41 -1.645 -13.093 12.469 272 HB3 SER 41 2HB SER 41 -1.749 -12.593 10.780 273 HG SER 41 HG SER 41 -0.222 -11.006 11.185 274 H GLY 42 H GLY 42 -1.977 -8.839 12.189 275 HA2 GLY 42 1HA GLY 42 -2.149 -7.396 14.160 276 HA3 GLY 42 2HA GLY 42 -1.694 -8.789 15.129 277 H ARG 43 H ARG 43 -0.058 -8.357 12.135 278 HA ARG 43 HA ARG 43 2.309 -7.383 13.596 279 HB2 ARG 43 1HB ARG 43 2.366 -9.751 12.667 280 HB3 ARG 43 2HB ARG 43 2.360 -9.023 11.067 281 HG2 ARG 43 1HG ARG 43 4.426 -7.770 11.731 282 HG3 ARG 43 2HG ARG 43 4.463 -8.752 13.197 283 HD2 ARG 43 1HD ARG 43 4.282 -10.063 10.516 284 HD3 ARG 43 2HD ARG 43 5.837 -9.480 11.109 285 HE ARG 43 HE ARG 43 5.851 -11.169 12.679 286 HH11 ARG 43 1HH1 ARG 43 2.742 -11.010 11.120 287 HH12 ARG 43 2HH1 ARG 43 2.191 -12.516 11.775 288 HH21 ARG 43 1HH2 ARG 43 5.137 -13.154 13.547 289 HH22 ARG 43 2HH2 ARG 43 3.554 -13.734 13.156 290 H VAL 44 H VAL 44 2.960 -5.416 13.056 291 HA VAL 44 HA VAL 44 2.403 -4.442 10.330 292 HB VAL 44 HB VAL 44 0.957 -3.184 11.698 293 HG11 VAL 44 1HG1 VAL 44 3.232 -2.628 13.594 294 HG12 VAL 44 2HG1 VAL 44 1.536 -2.184 13.795 295 HG13 VAL 44 3HG1 VAL 44 2.017 -3.881 13.846 296 HG21 VAL 44 1HG2 VAL 44 1.696 -0.970 11.387 297 HG22 VAL 44 2HG2 VAL 44 3.391 -1.423 11.570 298 HG23 VAL 44 3HG2 VAL 44 2.499 -1.909 10.128 299 H THR 45 H THR 45 3.993 -3.266 9.306 300 HA THR 45 HA THR 45 6.535 -2.907 10.738 301 HB THR 45 HB THR 45 7.706 -3.572 8.585 302 HG1 THR 45 1HG THR 45 5.047 -4.233 7.979 303 HG21 THR 45 1HG2 THR 45 6.253 -5.454 10.393 304 HG22 THR 45 2HG2 THR 45 7.983 -5.138 10.255 305 HG23 THR 45 3HG2 THR 45 7.161 -6.099 9.026 306 H GLU 46 H GLU 46 8.074 -1.509 9.426 307 HA GLU 46 HA GLU 46 6.670 0.892 8.686 308 HB2 GLU 46 1HB GLU 46 8.649 1.214 9.955 309 HB3 GLU 46 2HB GLU 46 9.588 0.172 8.894 310 HG2 GLU 46 1HG GLU 46 8.356 2.611 7.735 311 HG3 GLU 46 2HG GLU 46 9.765 2.796 8.778 312 H ALA 47 H ALA 47 6.633 1.897 6.690 313 HA ALA 47 HA ALA 47 7.306 0.158 4.412 314 HB1 ALA 47 1HB ALA 47 4.890 0.872 4.840 315 HB2 ALA 47 2HB ALA 47 5.398 2.471 4.295 316 HB3 ALA 47 3HB ALA 47 5.527 1.087 3.209 317 H GLU 48 H GLU 48 8.287 1.050 2.563 318 HA GLU 48 HA GLU 48 10.023 3.305 3.150 319 HB2 GLU 48 1HB GLU 48 11.015 1.311 2.158 320 HB3 GLU 48 2HB GLU 48 9.925 1.427 0.784 321 HG2 GLU 48 1HG GLU 48 11.857 2.326 -0.065 322 HG3 GLU 48 2HG GLU 48 10.988 3.768 0.459 323 H ILE 49 H ILE 49 10.000 5.254 2.130 324 HA ILE 49 HA ILE 49 7.774 5.729 0.257 325 HB ILE 49 HB ILE 49 9.010 7.717 2.166 326 HG12 ILE 49 1HG1 ILE 49 6.234 6.544 2.303 327 HG13 ILE 49 2HG1 ILE 49 7.596 5.836 3.165 328 HG21 ILE 49 1HG2 ILE 49 8.195 8.804 0.182 329 HG22 ILE 49 2HG2 ILE 49 6.668 7.927 0.282 330 HG23 ILE 49 3HG2 ILE 49 7.078 9.126 1.508 331 HD11 ILE 49 1HD1 ILE 49 6.636 7.170 4.769 332 HD12 ILE 49 2HD1 ILE 49 7.890 8.228 4.123 333 HD13 ILE 49 3HD1 ILE 49 6.214 8.436 3.617 334 H VAL 50 H VAL 50 9.025 5.330 -1.590 335 HA VAL 50 HA VAL 50 11.478 6.765 -2.054 336 HB VAL 50 HB VAL 50 9.787 5.130 -3.951 337 HG11 VAL 50 1HG1 VAL 50 11.254 6.828 -5.043 338 HG12 VAL 50 2HG1 VAL 50 12.642 6.034 -4.296 339 HG13 VAL 50 3HG1 VAL 50 11.644 5.159 -5.459 340 HG21 VAL 50 1HG2 VAL 50 12.410 4.158 -3.028 341 HG22 VAL 50 2HG2 VAL 50 11.138 4.198 -1.807 342 HG23 VAL 50 3HG2 VAL 50 10.904 3.281 -3.296 343 HA PRO 51 HA PRO 51 9.627 10.459 -3.627 344 HB2 PRO 51 1HB PRO 51 11.844 11.493 -4.805 345 HB3 PRO 51 2HB PRO 51 11.597 11.495 -3.055 346 HG2 PRO 51 1HG PRO 51 13.221 9.626 -4.737 347 HG3 PRO 51 2HG PRO 51 13.626 10.365 -3.177 348 HD2 PRO 51 1HD PRO 51 12.748 7.813 -3.395 349 HD3 PRO 51 2HD PRO 51 12.387 8.829 -1.985 350 H MET 52 H MET 52 8.224 9.575 -5.191 351 HA MET 52 HA MET 52 9.112 8.612 -7.710 352 HB2 MET 52 1HB MET 52 6.433 9.521 -6.676 353 HB3 MET 52 2HB MET 52 6.658 8.997 -8.340 354 HG2 MET 52 1HG MET 52 7.326 7.312 -5.940 355 HG3 MET 52 2HG MET 52 5.790 7.247 -6.802 356 HE1 MET 52 1HE MET 52 8.128 4.187 -7.100 357 HE2 MET 52 2HE MET 52 9.521 5.264 -7.197 358 HE3 MET 52 3HE MET 52 8.299 5.511 -5.948 359 H GLY 53 H GLY 53 7.988 11.755 -6.553 360 HA2 GLY 53 1HA GLY 53 9.451 13.246 -8.397 361 HA3 GLY 53 2HA GLY 53 7.850 13.014 -9.083 362 H LYS 54 H LYS 54 7.079 15.064 -8.948 363 HA LYS 54 HA LYS 54 7.404 16.687 -6.613 364 HB2 LYS 54 1HB LYS 54 7.069 17.450 -9.053 365 HB3 LYS 54 2HB LYS 54 5.358 17.154 -8.771 366 HG2 LYS 54 1HG LYS 54 5.667 19.441 -8.378 367 HG3 LYS 54 2HG LYS 54 5.566 18.706 -6.776 368 HD2 LYS 54 1HD LYS 54 7.838 18.969 -6.374 369 HD3 LYS 54 2HD LYS 54 8.227 19.105 -8.090 370 HE2 LYS 54 1HE LYS 54 7.641 21.315 -8.187 371 HE3 LYS 54 2HE LYS 54 6.466 21.173 -6.880 372 HZ1 LYS 54 1HZ LYS 54 8.050 22.199 -5.699 373 HZ2 LYS 54 2HZ LYS 54 9.293 21.770 -6.763 374 HZ3 LYS 54 3HZ LYS 54 8.759 20.666 -5.597 375 H ASN 55 H ASN 55 6.230 16.660 -4.817 376 HA ASN 55 HA ASN 55 4.667 15.972 -3.295 377 HB2 ASN 55 1HB ASN 55 2.316 16.577 -3.965 378 HB3 ASN 55 2HB ASN 55 3.493 17.873 -4.162 379 HD21 ASN 55 1HD2 ASN 55 1.321 15.719 -5.732 380 HD22 ASN 55 2HD2 ASN 55 1.487 16.366 -7.325 381 H SER 56 H SER 56 5.692 13.816 -4.736 382 HA SER 56 HA SER 56 3.333 12.056 -4.867 383 HB2 SER 56 1HB SER 56 5.755 12.077 -6.673 384 HB3 SER 56 2HB SER 56 4.636 10.717 -6.581 385 HG SER 56 HG SER 56 3.028 12.604 -6.952 386 H HIS 57 H HIS 57 3.534 10.028 -3.963 387 HA HIS 57 HA HIS 57 6.103 9.312 -2.750 388 HB2 HIS 57 1HB HIS 57 3.579 9.027 -1.147 389 HB3 HIS 57 2HB HIS 57 5.250 9.038 -0.589 390 HD1 HIS 57 1HD HIS 57 6.454 11.442 -0.658 391 HD2 HIS 57 2HD HIS 57 2.318 11.446 -1.050 392 HE1 HIS 57 1HE HIS 57 5.737 13.805 -0.187 393 HE2 HIS 57 2HE HIS 57 3.223 13.765 -0.346 394 H CYS 58 H CYS 58 6.500 7.141 -2.636 395 HA CYS 58 HA CYS 58 4.374 5.359 -3.628 396 HB2 CYS 58 1HB CYS 58 6.169 5.784 -5.311 397 HB3 CYS 58 2HB CYS 58 7.334 5.091 -4.189 398 HG CYS 58 HG CYS 58 5.709 2.618 -4.157 399 H VAL 59 H VAL 59 3.750 4.040 -2.059 400 HA VAL 59 HA VAL 59 5.543 3.383 0.129 401 HB VAL 59 HB VAL 59 2.672 2.551 -0.310 402 HG11 VAL 59 1HG1 VAL 59 4.063 2.610 2.334 403 HG12 VAL 59 2HG1 VAL 59 2.652 1.678 1.828 404 HG13 VAL 59 3HG1 VAL 59 4.260 1.222 1.264 405 HG21 VAL 59 1HG2 VAL 59 1.977 4.482 0.593 406 HG22 VAL 59 2HG2 VAL 59 3.275 4.502 1.786 407 HG23 VAL 59 3HG2 VAL 59 3.573 5.089 0.150 408 H ARG 60 H ARG 60 7.059 1.983 -0.726 409 HA ARG 60 HA ARG 60 6.217 -0.378 -2.175 410 HB2 ARG 60 1HB ARG 60 8.437 1.073 -2.385 411 HB3 ARG 60 2HB ARG 60 9.004 -0.064 -1.169 412 HG2 ARG 60 1HG ARG 60 8.081 -1.856 -2.823 413 HG3 ARG 60 2HG ARG 60 8.228 -0.552 -4.003 414 HD2 ARG 60 1HD ARG 60 10.279 -1.635 -4.149 415 HD3 ARG 60 2HD ARG 60 10.615 -0.278 -3.075 416 HE ARG 60 HE ARG 60 9.869 -2.587 -1.601 417 HH11 ARG 60 1HH1 ARG 60 12.511 -1.169 -3.371 418 HH12 ARG 60 2HH1 ARG 60 13.733 -2.017 -2.482 419 HH21 ARG 60 1HH2 ARG 60 11.469 -3.709 -0.424 420 HH22 ARG 60 2HH2 ARG 60 13.139 -3.462 -0.807 421 H PHE 61 H PHE 61 5.713 -2.259 -1.277 422 HA PHE 61 HA PHE 61 7.019 -3.193 1.118 423 HB2 PHE 61 1HB PHE 61 5.083 -3.379 2.509 424 HB3 PHE 61 2HB PHE 61 5.151 -1.714 1.941 425 HD1 PHE 61 1HD PHE 61 3.611 -4.997 1.097 426 HD2 PHE 61 2HD PHE 61 3.263 -0.755 1.030 427 HE1 PHE 61 1HE PHE 61 1.313 -5.202 0.241 428 HE2 PHE 61 2HE PHE 61 0.965 -0.954 0.175 429 HZ PHE 61 HZ PHE 61 -0.013 -3.179 -0.220 430 H VAL 62 H VAL 62 6.358 -5.412 1.681 431 HA VAL 62 HA VAL 62 5.431 -6.860 -0.712 432 HB VAL 62 HB VAL 62 7.183 -7.929 1.503 433 HG11 VAL 62 1HG1 VAL 62 7.635 -9.636 -0.413 434 HG12 VAL 62 2HG1 VAL 62 6.181 -9.790 0.575 435 HG13 VAL 62 3HG1 VAL 62 6.085 -9.067 -1.031 436 HG21 VAL 62 1HG2 VAL 62 9.055 -7.394 0.330 437 HG22 VAL 62 2HG2 VAL 62 8.240 -7.488 -1.231 438 HG23 VAL 62 3HG2 VAL 62 8.024 -6.068 -0.208 439 HA PRO 63 HA PRO 63 1.961 -7.789 1.992 440 HB2 PRO 63 1HB PRO 63 0.451 -8.923 0.042 441 HB3 PRO 63 2HB PRO 63 0.598 -7.174 0.248 442 HG2 PRO 63 1HG PRO 63 2.017 -8.981 -1.671 443 HG3 PRO 63 2HG PRO 63 1.304 -7.382 -1.958 444 HD2 PRO 63 1HD PRO 63 3.962 -7.747 -1.584 445 HD3 PRO 63 2HD PRO 63 3.117 -6.275 -1.064 446 H GLN 64 H GLN 64 0.557 -9.893 2.126 447 HA GLN 64 HA GLN 64 2.406 -12.184 2.049 448 HB2 GLN 64 1HB GLN 64 0.202 -11.489 3.985 449 HB3 GLN 64 2HB GLN 64 0.918 -13.093 3.903 450 HG2 GLN 64 1HG GLN 64 2.413 -10.546 4.483 451 HG3 GLN 64 2HG GLN 64 1.886 -11.724 5.684 452 HE21 GLN 64 1HE2 GLN 64 4.104 -11.060 3.094 453 HE22 GLN 64 2HE2 GLN 64 5.183 -12.371 3.409 454 H GLU 65 H GLU 65 1.162 -14.341 2.066 455 HA GLU 65 HA GLU 65 -0.540 -14.340 -0.265 456 HB2 GLU 65 1HB GLU 65 -0.275 -16.689 -0.289 457 HB3 GLU 65 2HB GLU 65 1.278 -16.044 0.222 458 HG2 GLU 65 1HG GLU 65 0.650 -16.509 2.569 459 HG3 GLU 65 2HG GLU 65 -0.833 -17.263 1.986 460 H MET 66 H MET 66 -2.686 -14.317 -0.259 461 HA MET 66 HA MET 66 -4.833 -14.251 0.501 462 HB2 MET 66 1HB MET 66 -3.881 -16.653 2.071 463 HB3 MET 66 2HB MET 66 -5.563 -16.228 1.781 464 HG2 MET 66 1HG MET 66 -5.220 -17.811 0.169 465 HG3 MET 66 2HG MET 66 -4.865 -16.334 -0.725 466 HE1 MET 66 1HE MET 66 -3.254 -17.031 -2.597 467 HE2 MET 66 2HE MET 66 -2.640 -15.668 -1.661 468 HE3 MET 66 3HE MET 66 -1.546 -16.959 -2.161 469 H GLY 67 H GLY 67 -3.453 -12.343 1.746 470 HA2 GLY 67 1HA GLY 67 -4.596 -12.395 4.452 471 HA3 GLY 67 2HA GLY 67 -2.899 -11.984 4.258 472 H VAL 68 H VAL 68 -5.700 -10.612 4.902 473 HA VAL 68 HA VAL 68 -5.597 -8.374 3.064 474 HB VAL 68 HB VAL 68 -7.316 -8.761 5.519 475 HG11 VAL 68 1HG1 VAL 68 -7.940 -6.652 5.225 476 HG12 VAL 68 2HG1 VAL 68 -6.878 -6.501 3.824 477 HG13 VAL 68 3HG1 VAL 68 -8.534 -7.074 3.619 478 HG21 VAL 68 1HG2 VAL 68 -8.210 -10.383 4.229 479 HG22 VAL 68 2HG2 VAL 68 -9.000 -9.024 3.431 480 HG23 VAL 68 3HG2 VAL 68 -7.536 -9.722 2.740 481 H HIS 69 H HIS 69 -4.127 -6.835 3.334 482 HA HIS 69 HA HIS 69 -3.245 -6.168 6.057 483 HB2 HIS 69 1HB HIS 69 -1.916 -5.386 3.459 484 HB3 HIS 69 2HB HIS 69 -1.242 -5.269 5.081 485 HD1 HIS 69 1HD HIS 69 -2.700 -8.131 3.022 486 HD2 HIS 69 2HD HIS 69 0.557 -7.238 5.441 487 HE1 HIS 69 1HE HIS 69 -1.312 -10.227 3.082 488 HE2 HIS 69 2HE HIS 69 0.609 -9.690 4.620 489 H THR 70 H THR 70 -2.727 -3.845 6.441 490 HA THR 70 HA THR 70 -4.524 -2.042 4.966 491 HB THR 70 HB THR 70 -4.192 -1.731 7.929 492 HG1 THR 70 1HG THR 70 -6.371 -3.166 6.843 493 HG21 THR 70 1HG2 THR 70 -6.343 -0.980 5.947 494 HG22 THR 70 2HG2 THR 70 -5.204 0.109 6.738 495 HG23 THR 70 3HG2 THR 70 -6.445 -0.709 7.686 496 H VAL 71 H VAL 71 -3.691 -0.091 4.480 497 HA VAL 71 HA VAL 71 -0.944 0.446 5.341 498 HB VAL 71 HB VAL 71 -2.565 1.747 3.147 499 HG11 VAL 71 1HG1 VAL 71 0.279 2.035 2.901 500 HG12 VAL 71 2HG1 VAL 71 -0.968 3.281 2.973 501 HG13 VAL 71 3HG1 VAL 71 -0.258 2.655 4.462 502 HG21 VAL 71 1HG2 VAL 71 -0.554 0.459 1.893 503 HG22 VAL 71 2HG2 VAL 71 -0.834 -0.637 3.246 504 HG23 VAL 71 3HG2 VAL 71 -2.155 -0.236 2.148 505 H SER 72 H SER 72 -0.894 1.547 7.206 506 HA SER 72 HA SER 72 -2.864 3.621 7.745 507 HB2 SER 72 1HB SER 72 -0.598 2.558 9.450 508 HB3 SER 72 2HB SER 72 -1.811 3.722 9.981 509 HG SER 72 HG SER 72 -2.856 1.980 10.542 510 H VAL 73 H VAL 73 -2.528 5.633 7.102 511 HA VAL 73 HA VAL 73 0.231 6.667 7.077 512 HB VAL 73 HB VAL 73 -1.921 7.351 5.070 513 HG11 VAL 73 1HG1 VAL 73 -0.083 8.530 3.906 514 HG12 VAL 73 2HG1 VAL 73 -0.461 9.228 5.482 515 HG13 VAL 73 3HG1 VAL 73 0.963 8.206 5.288 516 HG21 VAL 73 1HG2 VAL 73 -0.841 6.012 3.499 517 HG22 VAL 73 2HG2 VAL 73 0.636 5.910 4.458 518 HG23 VAL 73 3HG2 VAL 73 -0.807 5.031 4.964 519 H LYS 74 H LYS 74 0.144 7.825 8.948 520 HA LYS 74 HA LYS 74 -2.012 9.807 9.227 521 HB2 LYS 74 1HB LYS 74 -0.327 8.310 11.178 522 HB3 LYS 74 2HB LYS 74 -0.867 9.924 11.623 523 HG2 LYS 74 1HG LYS 74 -3.203 8.962 10.840 524 HG3 LYS 74 2HG LYS 74 -2.429 7.431 11.252 525 HD2 LYS 74 1HD LYS 74 -2.415 9.768 13.139 526 HD3 LYS 74 2HD LYS 74 -3.760 8.626 13.086 527 HE2 LYS 74 1HE LYS 74 -1.905 6.827 13.322 528 HE3 LYS 74 2HE LYS 74 -0.913 8.168 13.892 529 HZ1 LYS 74 1HZ LYS 74 -3.566 7.567 15.058 530 HZ2 LYS 74 2HZ LYS 74 -2.332 8.528 15.704 531 HZ3 LYS 74 3HZ LYS 74 -2.147 6.848 15.635 532 H TYR 75 H TYR 75 -1.424 11.934 10.055 533 HA TYR 75 HA TYR 75 1.345 12.724 9.480 534 HB2 TYR 75 1HB TYR 75 -0.105 13.213 7.507 535 HB3 TYR 75 2HB TYR 75 -1.081 14.260 8.530 536 HD1 TYR 75 2HD TYR 75 -0.094 16.346 9.456 537 HD2 TYR 75 1HD TYR 75 1.984 13.945 6.624 538 HE1 TYR 75 2HE TYR 75 1.413 18.229 8.974 539 HE2 TYR 75 1HE TYR 75 3.498 15.821 6.135 540 HH TYR 75 HH TYR 75 3.732 18.547 8.079 541 H ARG 76 H ARG 76 2.046 13.340 11.427 542 HA ARG 76 HA ARG 76 2.258 14.519 13.361 543 HB2 ARG 76 1HB ARG 76 0.464 16.256 11.732 544 HB3 ARG 76 2HB ARG 76 0.648 16.629 13.441 545 HG2 ARG 76 1HG ARG 76 3.182 16.510 12.957 546 HG3 ARG 76 2HG ARG 76 2.698 16.682 11.268 547 HD2 ARG 76 1HD ARG 76 3.219 18.849 12.256 548 HD3 ARG 76 2HD ARG 76 1.515 18.747 11.813 549 HE ARG 76 HE ARG 76 0.954 18.906 14.035 550 HH11 ARG 76 1HH1 ARG 76 4.369 18.305 13.732 551 HH12 ARG 76 2HH1 ARG 76 4.702 18.596 15.408 552 HH21 ARG 76 1HH2 ARG 76 1.378 19.292 16.243 553 HH22 ARG 76 2HH2 ARG 76 3.000 19.157 16.835 554 H GLY 77 H GLY 77 0.234 12.366 13.049 555 HA2 GLY 77 1HA GLY 77 -1.041 11.321 14.710 556 HA3 GLY 77 2HA GLY 77 -1.137 12.852 15.568 557 H GLN 78 H GLN 78 -1.964 12.289 12.184 558 HA GLN 78 HA GLN 78 -4.805 12.364 12.772 559 HB2 GLN 78 1HB GLN 78 -5.317 14.383 11.800 560 HB3 GLN 78 2HB GLN 78 -3.760 14.768 12.522 561 HG2 GLN 78 1HG GLN 78 -2.782 14.095 10.237 562 HG3 GLN 78 2HG GLN 78 -4.434 14.281 9.651 563 HE21 GLN 78 1HE2 GLN 78 -4.015 16.036 8.371 564 HE22 GLN 78 2HE2 GLN 78 -3.606 17.592 9.000 565 H HIS 79 H HIS 79 -5.810 10.992 11.465 566 HA HIS 79 HA HIS 79 -4.434 9.737 9.300 567 HB2 HIS 79 1HB HIS 79 -7.159 9.490 10.515 568 HB3 HIS 79 2HB HIS 79 -6.846 8.755 8.945 569 HD1 HIS 79 1HD HIS 79 -4.971 6.873 8.898 570 HD2 HIS 79 2HD HIS 79 -6.193 8.096 12.676 571 HE1 HIS 79 1HE HIS 79 -4.151 5.097 10.477 572 HE2 HIS 79 2HE HIS 79 -4.976 5.815 12.746 573 H VAL 80 H VAL 80 -4.310 10.397 7.265 574 HA VAL 80 HA VAL 80 -5.652 12.725 6.343 575 HB VAL 80 HB VAL 80 -4.603 12.289 4.191 576 HG11 VAL 80 1HG1 VAL 80 -3.032 13.340 5.457 577 HG12 VAL 80 2HG1 VAL 80 -3.041 12.093 6.706 578 HG13 VAL 80 3HG1 VAL 80 -2.186 11.817 5.188 579 HG21 VAL 80 1HG2 VAL 80 -5.008 9.772 4.370 580 HG22 VAL 80 2HG2 VAL 80 -3.501 10.299 3.620 581 HG23 VAL 80 3HG2 VAL 80 -3.502 9.718 5.286 582 H THR 81 H THR 81 -6.892 12.752 4.255 583 HA THR 81 HA THR 81 -9.294 11.381 4.504 584 HB THR 81 HB THR 81 -8.191 12.448 1.901 585 HG1 THR 81 1HG THR 81 -8.436 14.389 2.704 586 HG21 THR 81 1HG2 THR 81 -11.028 12.213 2.912 587 HG22 THR 81 2HG2 THR 81 -10.271 11.121 1.752 588 HG23 THR 81 3HG2 THR 81 -10.523 12.816 1.334 589 H GLY 82 H GLY 82 -9.913 9.369 4.053 590 HA2 GLY 82 1HA GLY 82 -10.083 7.455 2.668 591 HA3 GLY 82 2HA GLY 82 -8.549 7.884 1.928 592 H SER 83 H SER 83 -6.841 8.121 3.987 593 HA SER 83 HA SER 83 -6.314 5.424 4.670 594 HB2 SER 83 1HB SER 83 -4.389 6.732 4.472 595 HB3 SER 83 2HB SER 83 -5.076 8.059 5.409 596 HG SER 83 HG SER 83 -4.297 7.178 7.141 597 HA PRO 84 HA PRO 84 -5.078 4.353 6.285 598 HB2 PRO 84 1HB PRO 84 -5.935 1.989 7.308 599 HB3 PRO 84 2HB PRO 84 -5.045 3.181 8.262 600 HG2 PRO 84 1HG PRO 84 -7.990 2.659 8.154 601 HG3 PRO 84 2HG PRO 84 -6.960 2.970 9.563 602 HD2 PRO 84 1HD PRO 84 -8.519 4.883 8.449 603 HD3 PRO 84 2HD PRO 84 -6.963 5.249 9.221 604 H PHE 85 H PHE 85 -4.917 2.862 4.599 605 HA PHE 85 HA PHE 85 -7.424 2.400 3.136 606 HB2 PHE 85 1HB PHE 85 -4.570 2.473 2.135 607 HB3 PHE 85 2HB PHE 85 -5.982 2.148 1.134 608 HD1 PHE 85 2HD PHE 85 -7.613 3.926 0.677 609 HD2 PHE 85 1HD PHE 85 -4.013 4.684 2.817 610 HE1 PHE 85 2HE PHE 85 -7.894 6.339 0.287 611 HE2 PHE 85 1HE PHE 85 -4.289 7.099 2.432 612 HZ PHE 85 HZ PHE 85 -6.230 7.929 1.164 613 H GLN 86 H GLN 86 -8.219 0.420 3.322 614 HA GLN 86 HA GLN 86 -6.465 -1.805 3.992 615 HB2 GLN 86 1HB GLN 86 -8.690 -1.368 5.140 616 HB3 GLN 86 2HB GLN 86 -9.459 -1.886 3.646 617 HG2 GLN 86 1HG GLN 86 -7.882 -3.983 3.999 618 HG3 GLN 86 2HG GLN 86 -8.000 -3.467 5.681 619 HE21 GLN 86 1HE2 GLN 86 -10.346 -2.888 6.308 620 HE22 GLN 86 2HE2 GLN 86 -11.538 -4.050 5.846 621 H PHE 87 H PHE 87 -6.101 -3.572 2.715 622 HA PHE 87 HA PHE 87 -7.454 -3.815 0.155 623 HB2 PHE 87 1HB PHE 87 -5.486 -3.724 -1.193 624 HB3 PHE 87 2HB PHE 87 -5.478 -2.279 -0.187 625 HD1 PHE 87 2HD PHE 87 -4.111 -5.729 -0.369 626 HD2 PHE 87 1HD PHE 87 -3.619 -1.764 1.097 627 HE1 PHE 87 2HE PHE 87 -1.861 -6.310 0.437 628 HE2 PHE 87 1HE PHE 87 -1.367 -2.338 1.904 629 HZ PHE 87 HZ PHE 87 -0.485 -4.614 1.576 630 H THR 88 H THR 88 -7.441 -5.882 -0.668 631 HA THR 88 HA THR 88 -6.366 -7.933 1.134 632 HB THR 88 HB THR 88 -8.493 -8.142 -1.006 633 HG1 THR 88 1HG THR 88 -9.815 -8.522 0.903 634 HG21 THR 88 1HG2 THR 88 -8.870 -10.402 0.139 635 HG22 THR 88 2HG2 THR 88 -7.250 -10.195 0.806 636 HG23 THR 88 3HG2 THR 88 -7.482 -10.264 -0.940 637 H VAL 89 H VAL 89 -5.133 -9.651 0.380 638 HA VAL 89 HA VAL 89 -3.866 -9.193 -2.234 639 HB VAL 89 HB VAL 89 -2.858 -10.732 0.163 640 HG11 VAL 89 1HG1 VAL 89 -0.775 -10.268 -1.648 641 HG12 VAL 89 2HG1 VAL 89 -1.524 -11.815 -1.247 642 HG13 VAL 89 3HG1 VAL 89 -2.122 -10.872 -2.613 643 HG21 VAL 89 1HG2 VAL 89 -1.378 -8.425 -0.927 644 HG22 VAL 89 2HG2 VAL 89 -2.901 -8.054 -0.119 645 HG23 VAL 89 3HG2 VAL 89 -1.634 -8.924 0.746 646 H GLY 90 H GLY 90 -3.834 -10.746 -3.786 647 HA2 GLY 90 1HA GLY 90 -5.340 -13.215 -3.185 648 HA3 GLY 90 2HA GLY 90 -5.336 -12.417 -4.750 649 HA PRO 91 HA PRO 91 -2.328 -15.886 -5.041 650 HB2 PRO 91 1HB PRO 91 -3.005 -16.542 -7.586 651 HB3 PRO 91 2HB PRO 91 -3.873 -17.154 -6.173 652 HG2 PRO 91 1HG PRO 91 -4.584 -14.892 -8.001 653 HG3 PRO 91 2HG PRO 91 -5.629 -16.157 -7.328 654 HD2 PRO 91 1HD PRO 91 -5.526 -13.654 -6.301 655 HD3 PRO 91 2HD PRO 91 -5.830 -15.086 -5.297 656 H LEU 92 H LEU 92 -0.316 -15.788 -5.917 657 HA LEU 92 HA LEU 92 0.780 -13.435 -6.811 658 HB2 LEU 92 1HB LEU 92 2.282 -15.054 -6.080 659 HB3 LEU 92 2HB LEU 92 1.604 -16.293 -7.134 660 HG LEU 92 HG LEU 92 3.022 -13.939 -8.317 661 HD11 LEU 92 1HD1 LEU 92 4.817 -14.500 -7.072 662 HD12 LEU 92 2HD1 LEU 92 4.978 -15.774 -8.280 663 HD13 LEU 92 3HD1 LEU 92 4.213 -16.122 -6.730 664 HD21 LEU 92 1HD2 LEU 92 2.251 -15.110 -10.081 665 HD22 LEU 92 2HD2 LEU 92 2.088 -16.604 -9.157 666 HD23 LEU 92 3HD2 LEU 92 3.668 -16.115 -9.774 667 H GLY 93 H GLY 93 -0.072 -16.228 -8.867 668 HA2 GLY 93 1HA GLY 93 -0.696 -14.348 -11.032 669 HA3 GLY 93 2HA GLY 93 0.490 -15.607 -11.340 670 H GLU 94 H GLU 94 -2.215 -15.048 -12.494 671 HA GLU 94 HA GLU 94 -3.797 -17.324 -11.638 672 HB2 GLU 94 1HB GLU 94 -4.781 -15.089 -12.303 673 HB3 GLU 94 2HB GLU 94 -4.337 -15.474 -13.960 674 HG2 GLU 94 1HG GLU 94 -6.629 -16.017 -13.678 675 HG3 GLU 94 2HG GLU 94 -5.730 -17.530 -13.784 676 H GLY 95 H GLY 95 -3.674 -19.288 -12.500 677 HA2 GLY 95 1HA GLY 95 -3.761 -20.550 -14.643 678 HA3 GLY 95 2HA GLY 95 -2.407 -19.554 -15.157 679 H GLY 96 H GLY 96 -2.550 -22.449 -15.021 680 HA2 GLY 96 1HA GLY 96 -0.243 -22.862 -13.241 681 HA3 GLY 96 2HA GLY 96 -1.601 -23.975 -13.166 682 H SER 97 H SER 97 -1.726 -25.616 -14.601 683 HA SER 97 HA SER 97 -1.013 -27.135 -16.139 684 HB2 SER 97 1HB SER 97 -0.572 -24.522 -17.559 685 HB3 SER 97 2HB SER 97 -0.130 -26.046 -18.328 686 HG SER 97 HG SER 97 -2.611 -24.964 -17.856 687 H GLY 98 H GLY 98 0.791 -26.672 -14.082 688 HA2 GLY 98 1HA GLY 98 3.262 -27.460 -15.397 689 HA3 GLY 98 2HA GLY 98 3.348 -25.985 -14.445 690 HA PRO 99 HA PRO 99 2.467 -29.728 -11.462 691 HB2 PRO 99 1HB PRO 99 3.208 -32.146 -12.450 692 HB3 PRO 99 2HB PRO 99 1.573 -31.496 -12.625 693 HG2 PRO 99 1HG PRO 99 3.826 -31.509 -14.596 694 HG3 PRO 99 2HG PRO 99 2.107 -31.855 -14.859 695 HD2 PRO 99 1HD PRO 99 3.225 -29.469 -15.481 696 HD3 PRO 99 2HD PRO 99 1.541 -29.623 -14.941 697 H SER 100 H SER 100 4.062 -29.364 -10.054 698 HA SER 100 HA SER 100 6.174 -29.075 -9.204 699 HB2 SER 100 1HB SER 100 7.347 -31.117 -8.942 700 HB3 SER 100 2HB SER 100 5.650 -31.578 -9.081 701 HG SER 100 HG SER 100 6.546 -31.543 -11.523 702 H SER 101 H SER 101 5.911 -27.824 -11.702 703 HA SER 101 HA SER 101 8.608 -28.213 -12.828 704 HB2 SER 101 1HB SER 101 7.785 -27.584 -14.998 705 HB3 SER 101 2HB SER 101 6.720 -28.843 -14.372 706 HG SER 101 HG SER 101 6.097 -26.362 -15.136 707 H GLY 102 H GLY 102 9.939 -26.529 -12.680 708 HA2 GLY 102 1HA GLY 102 8.848 -23.979 -11.738 709 HA3 GLY 102 2HA GLY 102 10.535 -24.468 -11.679
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