NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607227 | 2n8k | 25853 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.167 0.636 0.867 2 HA SER 1 HA SER 1 1.776 -0.161 -1.657 3 HB2 SER 1 HB2 SER 1 3.872 1.185 -1.451 4 HB3 SER 1 HB3 SER 1 2.443 2.018 -0.840 5 HG SER 1 HG SER 1 4.477 0.730 0.655 6 H VAL 2 H VAL 2 2.905 -1.737 -2.594 7 HA VAL 2 HA VAL 2 4.339 -3.626 -0.915 8 HB VAL 2 HB VAL 2 3.784 -3.745 -3.883 9 HG11 VAL 2 HG11 VAL 2 4.158 -6.244 -3.387 10 HG12 VAL 2 HG12 VAL 2 5.570 -5.193 -3.512 11 HG13 VAL 2 HG13 VAL 2 4.970 -5.681 -1.926 12 HG21 VAL 2 HG21 VAL 2 2.217 -5.648 -2.746 13 HG22 VAL 2 HG22 VAL 2 2.151 -4.378 -1.524 14 HG23 VAL 2 HG23 VAL 2 1.665 -4.032 -3.184 15 H THR 3 H THR 3 6.499 -4.104 -1.055 16 HA THR 3 HA THR 3 8.135 -2.528 -2.916 17 HB THR 3 HB THR 3 8.847 -2.864 0.001 18 HG1 THR 3 HG1 THR 3 8.380 -0.521 -0.004 19 HG21 THR 3 HG21 THR 3 10.114 -0.682 -1.370 20 HG22 THR 3 HG22 THR 3 10.381 -2.184 -2.256 21 HG23 THR 3 HG23 THR 3 10.849 -2.064 -0.560 22 H CYS 4 H CYS 4 9.090 -4.020 -4.141 23 HA CYS 4 HA CYS 4 10.387 -6.294 -2.792 24 HB2 CYS 4 HB2 CYS 4 9.144 -6.423 -5.542 25 HB3 CYS 4 HB3 CYS 4 9.802 -7.758 -4.602 26 H GLY 5 H GLY 5 12.403 -6.894 -3.540 27 HA2 GLY 5 HA2 GLY 5 14.487 -6.536 -4.438 28 HA3 GLY 5 HA3 GLY 5 13.621 -6.161 -5.921 29 H GLY 6 H GLY 6 13.625 -4.426 -2.824 30 HA2 GLY 6 HA2 GLY 6 14.161 -2.253 -2.315 31 HA3 GLY 6 HA3 GLY 6 15.426 -2.403 -3.527 32 H LYS 7 H LYS 7 12.118 -2.870 -4.445 33 HA LYS 7 HA LYS 7 11.864 -0.124 -5.398 34 HB2 LYS 7 HB2 LYS 7 12.091 -2.546 -7.144 35 HB3 LYS 7 HB3 LYS 7 11.064 -1.212 -7.651 36 HG2 LYS 7 HG2 LYS 7 13.188 0.226 -7.151 37 HG3 LYS 7 HG3 LYS 7 14.025 -1.316 -7.344 38 HD2 LYS 7 HD2 LYS 7 12.689 -1.523 -9.536 39 HD3 LYS 7 HD3 LYS 7 12.389 0.207 -9.347 40 HE2 LYS 7 HE2 LYS 7 14.734 0.683 -9.396 41 HE3 LYS 7 HE3 LYS 7 15.137 -1.032 -9.334 42 HZ1 LYS 7 HZ1 LYS 7 15.326 -0.701 -11.549 43 HZ2 LYS 7 HZ2 LYS 7 14.226 0.582 -11.585 44 HZ3 LYS 7 HZ3 LYS 7 13.663 -1.012 -11.515 45 H GLN 8 H GLN 8 9.801 0.597 -5.404 46 HA GLN 8 HA GLN 8 7.801 -0.980 -4.136 47 HB2 GLN 8 HB2 GLN 8 7.975 1.780 -5.234 48 HB3 GLN 8 HB3 GLN 8 6.371 1.096 -5.010 49 HG2 GLN 8 HG2 GLN 8 6.537 1.081 -2.740 50 HG3 GLN 8 HG3 GLN 8 8.290 0.900 -2.758 51 HE21 GLN 8 HE21 GLN 8 8.782 2.558 -1.412 52 HE22 GLN 8 HE22 GLN 8 8.486 4.220 -1.781 53 H CYS 9 H CYS 9 6.029 -1.995 -4.957 54 HA CYS 9 HA CYS 9 5.773 -2.053 -7.893 55 HB2 CYS 9 HB2 CYS 9 5.654 -4.292 -5.889 56 HB3 CYS 9 HB3 CYS 9 4.859 -4.435 -7.453 57 H LYS 10 H LYS 10 3.590 -2.735 -8.644 58 HA LYS 10 HA LYS 10 1.597 -1.100 -7.484 59 HB2 LYS 10 HB2 LYS 10 1.735 -3.039 -9.731 60 HB3 LYS 10 HB3 LYS 10 0.138 -2.670 -9.095 61 HG2 LYS 10 HG2 LYS 10 0.659 -0.246 -9.432 62 HG3 LYS 10 HG3 LYS 10 2.131 -0.747 -10.267 63 HD2 LYS 10 HD2 LYS 10 -0.490 -1.894 -11.116 64 HD3 LYS 10 HD3 LYS 10 -0.068 -0.253 -11.610 65 HE2 LYS 10 HE2 LYS 10 0.722 -1.559 -13.364 66 HE3 LYS 10 HE3 LYS 10 2.160 -1.292 -12.379 67 HZ1 LYS 10 HZ1 LYS 10 2.348 -3.457 -11.978 68 HZ2 LYS 10 HZ2 LYS 10 1.211 -3.707 -13.204 69 HZ3 LYS 10 HZ3 LYS 10 0.711 -3.629 -11.590 70 HA PRO 11 HA PRO 11 -0.410 -3.672 -4.551 71 HB2 PRO 11 HB2 PRO 11 -3.035 -3.125 -4.980 72 HB3 PRO 11 HB3 PRO 11 -1.923 -1.972 -4.231 73 HG2 PRO 11 HG2 PRO 11 -2.879 -2.114 -7.064 74 HG3 PRO 11 HG3 PRO 11 -2.688 -0.695 -6.017 75 HD2 PRO 11 HD2 PRO 11 -0.869 -1.366 -7.908 76 HD3 PRO 11 HD3 PRO 11 -0.416 -0.573 -6.386 77 H ASN 12 H ASN 12 -1.999 -5.436 -4.255 78 HA ASN 12 HA ASN 12 -2.879 -7.460 -4.806 79 HB2 ASN 12 HB2 ASN 12 -3.180 -6.391 -7.615 80 HB3 ASN 12 HB3 ASN 12 -4.111 -7.674 -6.849 81 HD21 ASN 12 HD21 ASN 12 -3.827 -4.336 -7.410 82 HD22 ASN 12 HD22 ASN 12 -5.185 -3.823 -6.473 83 H SER 13 H SER 13 -0.005 -6.861 -5.146 84 HA SER 13 HA SER 13 0.656 -9.214 -6.751 85 HB2 SER 13 HB2 SER 13 1.899 -6.481 -7.100 86 HB3 SER 13 HB3 SER 13 2.636 -7.963 -7.708 87 HG SER 13 HG SER 13 0.533 -6.524 -8.696 88 H CYS 14 H CYS 14 1.720 -10.545 -5.459 89 HA CYS 14 HA CYS 14 3.113 -9.536 -3.122 90 HB2 CYS 14 HB2 CYS 14 3.203 -11.789 -2.375 91 HB3 CYS 14 HB3 CYS 14 1.616 -11.584 -3.110 92 H CYS 15 H CYS 15 5.273 -10.563 -2.583 93 HA CYS 15 HA CYS 15 7.045 -10.153 -4.856 94 HB2 CYS 15 HB2 CYS 15 7.824 -10.665 -1.984 95 HB3 CYS 15 HB3 CYS 15 8.815 -9.956 -3.254 96 H VAL 16 H VAL 16 8.152 -11.714 -5.867 97 HA VAL 16 HA VAL 16 8.220 -14.395 -4.651 98 HB VAL 16 HB VAL 16 8.017 -15.304 -7.012 99 HG11 VAL 16 HG11 VAL 16 5.987 -15.822 -6.282 100 HG12 VAL 16 HG12 VAL 16 6.035 -14.466 -5.153 101 HG13 VAL 16 HG13 VAL 16 5.402 -14.236 -6.784 102 HG21 VAL 16 HG21 VAL 16 8.460 -13.120 -8.121 103 HG22 VAL 16 HG22 VAL 16 7.003 -13.930 -8.699 104 HG23 VAL 16 HG23 VAL 16 6.873 -12.573 -7.579 105 H GLN 17 H GLN 17 10.142 -15.404 -4.715 106 HA GLN 17 HA GLN 17 12.426 -13.952 -5.686 107 HB2 GLN 17 HB2 GLN 17 12.124 -15.572 -3.591 108 HB3 GLN 17 HB3 GLN 17 12.675 -16.768 -4.756 109 HG2 GLN 17 HG2 GLN 17 14.675 -16.144 -3.896 110 HG3 GLN 17 HG3 GLN 17 14.545 -14.960 -5.196 111 HE21 GLN 17 HE21 GLN 17 13.937 -12.819 -4.676 112 HE22 GLN 17 HE22 GLN 17 14.168 -12.191 -3.083 113 H ASN 18 H ASN 18 13.295 -14.111 -7.638 114 HA ASN 18 HA ASN 18 12.835 -16.573 -9.188 115 HB2 ASN 18 HB2 ASN 18 12.983 -13.779 -10.335 116 HB3 ASN 18 HB3 ASN 18 12.622 -15.263 -11.211 117 HD21 ASN 18 HD21 ASN 18 10.618 -16.282 -10.878 118 HD22 ASN 18 HD22 ASN 18 9.266 -15.413 -10.242 119 H SER 19 H SER 19 15.081 -15.982 -7.510 120 HA SER 19 HA SER 19 17.237 -15.311 -9.359 121 HB2 SER 19 HB2 SER 19 16.992 -15.553 -6.392 122 HB3 SER 19 HB3 SER 19 18.581 -15.786 -7.121 123 HG SER 19 HG SER 19 18.702 -13.713 -7.362 124 H HIS 20 H HIS 20 18.727 -16.732 -10.109 125 HA HIS 20 HA HIS 20 18.178 -19.568 -9.633 126 HB2 HIS 20 HB2 HIS 20 19.309 -20.016 -11.684 127 HB3 HIS 20 HB3 HIS 20 18.267 -18.627 -11.977 128 HD1 HIS 20 HD1 HIS 20 20.844 -19.312 -13.654 129 HD2 HIS 20 HD2 HIS 20 20.620 -16.531 -10.576 130 HE1 HIS 20 HE1 HIS 20 22.727 -17.697 -14.069 131 H GLY 21 H GLY 21 19.663 -17.793 -7.758 132 HA2 GLY 21 HA2 GLY 21 21.342 -18.324 -6.230 133 HA3 GLY 21 HA3 GLY 21 21.887 -19.599 -7.310 134 H LYS 22 H LYS 22 21.407 -16.274 -8.313 135 HA LYS 22 HA LYS 22 24.086 -16.126 -9.316 136 HB2 LYS 22 HB2 LYS 22 23.456 -13.850 -10.020 137 HB3 LYS 22 HB3 LYS 22 22.265 -15.045 -10.516 138 HG2 LYS 22 HG2 LYS 22 21.174 -14.316 -8.195 139 HG3 LYS 22 HG3 LYS 22 22.039 -12.826 -8.578 140 HD2 LYS 22 HD2 LYS 22 20.160 -14.231 -10.473 141 HD3 LYS 22 HD3 LYS 22 19.690 -12.895 -9.419 142 HE2 LYS 22 HE2 LYS 22 21.915 -12.735 -11.445 143 HE3 LYS 22 HE3 LYS 22 20.255 -12.241 -11.773 144 HZ1 LYS 22 HZ1 LYS 22 20.885 -10.265 -11.007 145 HZ2 LYS 22 HZ2 LYS 22 22.313 -10.867 -10.329 146 HZ3 LYS 22 HZ3 LYS 22 20.864 -10.952 -9.461 147 H GLY 23 H GLY 23 22.488 -15.192 -6.396 148 HA2 GLY 23 HA2 GLY 23 23.852 -14.806 -4.433 149 HA3 GLY 23 HA3 GLY 23 25.013 -13.985 -5.466 150 H LYS 24 H LYS 24 22.199 -12.940 -6.638 151 HA LYS 24 HA LYS 24 21.986 -10.725 -4.706 152 HB2 LYS 24 HB2 LYS 24 22.150 -10.673 -7.701 153 HB3 LYS 24 HB3 LYS 24 21.307 -9.390 -6.843 154 HG2 LYS 24 HG2 LYS 24 23.291 -8.767 -5.674 155 HG3 LYS 24 HG3 LYS 24 24.156 -10.180 -6.285 156 HD2 LYS 24 HD2 LYS 24 23.001 -8.102 -8.124 157 HD3 LYS 24 HD3 LYS 24 24.612 -7.936 -7.422 158 HE2 LYS 24 HE2 LYS 24 23.835 -10.453 -8.840 159 HE3 LYS 24 HE3 LYS 24 24.330 -9.034 -9.762 160 HZ1 LYS 24 HZ1 LYS 24 25.938 -10.896 -8.362 161 HZ2 LYS 24 HZ2 LYS 24 26.202 -9.340 -7.753 162 HZ3 LYS 24 HZ3 LYS 24 26.413 -9.650 -9.403 163 H ASP 25 H ASP 25 20.166 -11.457 -3.669 164 HA ASP 25 HA ASP 25 17.936 -12.663 -4.765 165 HB2 ASP 25 HB2 ASP 25 16.694 -11.681 -2.790 166 HB3 ASP 25 HB3 ASP 25 18.149 -12.592 -2.393 167 H SER 26 H SER 26 16.992 -11.913 -6.571 168 HA SER 26 HA SER 26 15.966 -9.152 -6.509 169 HB2 SER 26 HB2 SER 26 16.930 -10.621 -8.974 170 HB3 SER 26 HB3 SER 26 16.341 -8.961 -8.903 171 HG SER 26 HG SER 26 18.147 -8.361 -7.807 172 HA PRO 27 HA PRO 27 12.380 -11.993 -6.912 173 HB2 PRO 27 HB2 PRO 27 10.709 -10.422 -5.459 174 HB3 PRO 27 HB3 PRO 27 11.817 -11.585 -4.722 175 HG2 PRO 27 HG2 PRO 27 12.125 -8.626 -5.058 176 HG3 PRO 27 HG3 PRO 27 12.502 -9.637 -3.651 177 HD2 PRO 27 HD2 PRO 27 14.402 -8.776 -5.377 178 HD3 PRO 27 HD3 PRO 27 14.514 -10.334 -4.533 179 H ARG 28 H ARG 28 10.221 -11.576 -7.819 180 HA ARG 28 HA ARG 28 10.157 -9.148 -9.487 181 HB2 ARG 28 HB2 ARG 28 10.614 -11.534 -10.552 182 HB3 ARG 28 HB3 ARG 28 8.864 -11.660 -10.441 183 HG2 ARG 28 HG2 ARG 28 9.485 -10.867 -12.624 184 HG3 ARG 28 HG3 ARG 28 8.657 -9.581 -11.743 185 HD2 ARG 28 HD2 ARG 28 10.703 -8.456 -11.298 186 HD3 ARG 28 HD3 ARG 28 11.653 -9.830 -11.863 187 HE ARG 28 HE ARG 28 10.212 -9.136 -14.044 188 HH11 ARG 28 HH11 ARG 28 12.262 -7.357 -11.863 189 HH12 ARG 28 HH12 ARG 28 12.767 -6.214 -13.063 190 HH21 ARG 28 HH21 ARG 28 10.870 -7.637 -15.632 191 HH22 ARG 28 HH22 ARG 28 11.974 -6.374 -15.206 192 H CYS 29 H CYS 29 7.965 -8.549 -10.230 193 HA CYS 29 HA CYS 29 6.074 -8.844 -8.031 194 HB2 CYS 29 HB2 CYS 29 5.769 -7.093 -10.470 195 HB3 CYS 29 HB3 CYS 29 4.951 -6.937 -8.919 196 H HIS 30 H HIS 30 4.675 -10.466 -8.122 197 HA HIS 30 HA HIS 30 3.590 -11.243 -10.749 198 HB2 HIS 30 HB2 HIS 30 4.805 -12.815 -8.712 199 HB3 HIS 30 HB3 HIS 30 3.103 -13.261 -8.787 200 HD1 HIS 30 HD1 HIS 30 5.466 -12.393 -11.637 201 HD2 HIS 30 HD2 HIS 30 3.119 -15.534 -10.262 202 HE1 HIS 30 HE1 HIS 30 5.618 -14.172 -13.408 203 HA PRO 31 HA PRO 31 -0.418 -10.050 -9.402 204 HB2 PRO 31 HB2 PRO 31 -1.940 -11.731 -10.896 205 HB3 PRO 31 HB3 PRO 31 -1.086 -10.343 -11.581 206 HG2 PRO 31 HG2 PRO 31 -0.303 -13.233 -11.570 207 HG3 PRO 31 HG3 PRO 31 -0.200 -12.051 -12.888 208 HD2 PRO 31 HD2 PRO 31 1.942 -12.749 -11.387 209 HD3 PRO 31 HD3 PRO 31 1.747 -11.124 -12.073 210 H LEU 32 H LEU 32 -2.128 -10.677 -8.069 211 HA LEU 32 HA LEU 32 -1.606 -12.684 -6.186 212 HB2 LEU 32 HB2 LEU 32 -3.996 -11.022 -6.857 213 HB3 LEU 32 HB3 LEU 32 -4.141 -12.331 -5.685 214 HG LEU 32 HG LEU 32 -2.188 -10.047 -5.430 215 HD11 LEU 32 HD11 LEU 32 -3.878 -9.463 -3.531 216 HD12 LEU 32 HD12 LEU 32 -5.020 -10.350 -4.541 217 HD13 LEU 32 HD13 LEU 32 -4.187 -8.936 -5.186 218 HD21 LEU 32 HD21 LEU 32 -1.545 -12.078 -4.243 219 HD22 LEU 32 HD22 LEU 32 -3.129 -12.138 -3.468 220 HD23 LEU 32 HD23 LEU 32 -2.023 -10.810 -3.113 221 H GLY 33 H GLY 33 -2.647 -14.673 -5.766 222 HA2 GLY 33 HA2 GLY 33 -3.046 -16.305 -8.033 223 HA3 GLY 33 HA3 GLY 33 -3.405 -16.753 -6.372 224 H LYS 34 H LYS 34 -4.909 -17.395 -8.764 225 HA LYS 34 HA LYS 34 -7.397 -15.900 -8.274 226 HB2 LYS 34 HB2 LYS 34 -8.100 -16.455 -10.470 227 HB3 LYS 34 HB3 LYS 34 -6.424 -15.941 -10.612 228 HG2 LYS 34 HG2 LYS 34 -5.699 -18.251 -10.745 229 HG3 LYS 34 HG3 LYS 34 -7.362 -18.802 -10.526 230 HD2 LYS 34 HD2 LYS 34 -7.054 -18.921 -12.831 231 HD3 LYS 34 HD3 LYS 34 -7.877 -17.375 -12.610 232 HE2 LYS 34 HE2 LYS 34 -5.903 -16.153 -12.949 233 HE3 LYS 34 HE3 LYS 34 -4.882 -17.569 -12.701 234 HZ1 LYS 34 HZ1 LYS 34 -6.200 -18.411 -14.789 235 HZ2 LYS 34 HZ2 LYS 34 -4.837 -17.423 -14.957 236 HZ3 LYS 34 HZ3 LYS 34 -6.386 -16.754 -15.077 237 H LEU 35 H LEU 35 -9.293 -17.564 -9.173 238 HA LEU 35 HA LEU 35 -9.491 -19.488 -7.066 239 HB2 LEU 35 HB2 LEU 35 -11.426 -18.225 -7.873 240 HB3 LEU 35 HB3 LEU 35 -11.280 -19.009 -9.445 241 HG LEU 35 HG LEU 35 -11.735 -21.192 -8.299 242 HD11 LEU 35 HD11 LEU 35 -12.498 -19.419 -5.984 243 HD12 LEU 35 HD12 LEU 35 -11.086 -20.473 -6.036 244 HD13 LEU 35 HD13 LEU 35 -12.707 -21.167 -6.087 245 HD21 LEU 35 HD21 LEU 35 -14.094 -19.547 -7.676 246 HD22 LEU 35 HD22 LEU 35 -13.932 -20.954 -8.728 247 HD23 LEU 35 HD23 LEU 35 -13.447 -19.360 -9.306 248 H ASN 36 H ASN 36 -9.757 -21.753 -7.282 249 HA ASN 36 HA ASN 36 -9.169 -23.823 -8.018 250 HB2 ASN 36 HB2 ASN 36 -9.444 -22.699 -10.809 251 HB3 ASN 36 HB3 ASN 36 -9.630 -24.376 -10.303 252 HD21 ASN 36 HD21 ASN 36 -11.197 -24.072 -8.064 253 HD22 ASN 36 HD22 ASN 36 -12.748 -23.469 -8.529 254 H ASN 37 H ASN 37 -7.143 -21.601 -7.765 255 HA ASN 37 HA ASN 37 -5.016 -22.850 -9.379 256 HB2 ASN 37 HB2 ASN 37 -5.734 -20.045 -8.986 257 HB3 ASN 37 HB3 ASN 37 -4.037 -20.368 -8.640 258 HD21 ASN 37 HD21 ASN 37 -6.550 -20.869 -11.067 259 HD22 ASN 37 HD22 ASN 37 -5.491 -20.822 -12.431 260 HA PRO 38 HA PRO 38 -2.811 -23.829 -5.715 261 HB2 PRO 38 HB2 PRO 38 -0.239 -23.372 -6.451 262 HB3 PRO 38 HB3 PRO 38 -1.182 -24.738 -7.056 263 HG2 PRO 38 HG2 PRO 38 -0.606 -22.108 -8.364 264 HG3 PRO 38 HG3 PRO 38 -0.587 -23.735 -9.068 265 HD2 PRO 38 HD2 PRO 38 -2.666 -22.031 -9.395 266 HD3 PRO 38 HD3 PRO 38 -2.878 -23.792 -9.315 267 H CYS 39 H CYS 39 -2.471 -22.806 -3.844 268 HA CYS 39 HA CYS 39 -1.145 -20.204 -3.822 269 HB2 CYS 39 HB2 CYS 39 -2.854 -19.122 -2.542 270 HB3 CYS 39 HB3 CYS 39 -3.629 -19.824 -3.958 271 H GLU 40 H GLU 40 -0.453 -19.549 -1.665 272 HA GLU 40 HA GLU 40 -0.162 -21.842 0.163 273 HB2 GLU 40 HB2 GLU 40 1.945 -21.311 -1.020 274 HB3 GLU 40 HB3 GLU 40 1.876 -19.676 -0.379 275 HG2 GLU 40 HG2 GLU 40 2.527 -20.307 1.696 276 HG3 GLU 40 HG3 GLU 40 1.760 -21.890 1.577 277 H VAL 41 H VAL 41 -0.337 -21.459 2.348 278 HA VAL 41 HA VAL 41 -2.045 -19.485 3.246 279 HB VAL 41 HB VAL 41 0.081 -20.851 4.902 280 HG11 VAL 41 HG11 VAL 41 -1.048 -18.889 5.942 281 HG12 VAL 41 HG12 VAL 41 -2.585 -19.736 5.757 282 HG13 VAL 41 HG13 VAL 41 -1.325 -20.410 6.791 283 HG21 VAL 41 HG21 VAL 41 -1.101 -22.597 3.884 284 HG22 VAL 41 HG22 VAL 41 -1.888 -22.395 5.449 285 HG23 VAL 41 HG23 VAL 41 -2.639 -21.740 3.994 286 H GLU 42 H GLU 42 1.440 -19.592 4.017 287 HA GLU 42 HA GLU 42 1.535 -16.676 3.730 288 HB2 GLU 42 HB2 GLU 42 2.352 -18.267 6.151 289 HB3 GLU 42 HB3 GLU 42 3.035 -16.682 5.816 290 HG2 GLU 42 HG2 GLU 42 0.625 -15.858 5.705 291 HG3 GLU 42 HG3 GLU 42 0.196 -17.397 6.451 292 HA PRO 43 HA PRO 43 5.355 -17.330 1.674 293 HB2 PRO 43 HB2 PRO 43 6.754 -15.116 2.390 294 HB3 PRO 43 HB3 PRO 43 5.394 -15.070 1.261 295 HG2 PRO 43 HG2 PRO 43 5.458 -14.405 4.180 296 HG3 PRO 43 HG3 PRO 43 4.652 -13.547 2.854 297 HD2 PRO 43 HD2 PRO 43 3.326 -15.206 4.533 298 HD3 PRO 43 HD3 PRO 43 2.863 -15.001 2.832 299 H ASN 44 H ASN 44 7.891 -16.819 2.240 300 HA ASN 44 HA ASN 44 8.546 -18.756 4.229 301 HB2 ASN 44 HB2 ASN 44 10.583 -16.894 3.061 302 HB3 ASN 44 HB3 ASN 44 10.734 -18.603 3.455 303 HD21 ASN 44 HD21 ASN 44 11.187 -16.946 0.973 304 HD22 ASN 44 HD22 ASN 44 10.339 -17.801 -0.265 305 H GLU 45 H GLU 45 10.780 -17.842 5.488 306 HA GLU 45 HA GLU 45 9.685 -16.351 7.639 307 HB2 GLU 45 HB2 GLU 45 11.824 -16.558 8.676 308 HB3 GLU 45 HB3 GLU 45 11.515 -18.063 7.822 309 HG2 GLU 45 HG2 GLU 45 12.924 -17.253 5.962 310 HG3 GLU 45 HG3 GLU 45 13.296 -15.816 6.912 311 H ASN 46 H ASN 46 11.046 -15.423 4.680 312 HA ASN 46 HA ASN 46 11.876 -12.797 5.659 313 HB2 ASN 46 HB2 ASN 46 12.182 -14.205 3.010 314 HB3 ASN 46 HB3 ASN 46 12.549 -12.493 3.206 315 HD21 ASN 46 HD21 ASN 46 13.734 -15.610 3.414 316 HD22 ASN 46 HD22 ASN 46 15.203 -15.276 4.261 317 H GLY 47 H GLY 47 9.336 -14.357 3.864 318 HA2 GLY 47 HA2 GLY 47 7.161 -13.338 3.767 319 HA3 GLY 47 HA3 GLY 47 7.945 -11.766 3.710 320 H ILE 48 H ILE 48 8.964 -14.510 1.783 321 HA ILE 48 HA ILE 48 7.870 -13.181 -0.608 322 HB ILE 48 HB ILE 48 10.532 -14.598 -0.488 323 HG12 ILE 48 HG12 ILE 48 9.962 -11.628 -0.598 324 HG13 ILE 48 HG13 ILE 48 10.546 -12.495 0.818 325 HG21 ILE 48 HG21 ILE 48 10.858 -13.565 -2.707 326 HG22 ILE 48 HG22 ILE 48 9.506 -14.696 -2.671 327 HG23 ILE 48 HG23 ILE 48 9.204 -12.959 -2.641 328 HD11 ILE 48 HD11 ILE 48 12.624 -12.198 0.140 329 HD12 ILE 48 HD12 ILE 48 12.277 -13.077 -1.350 330 HD13 ILE 48 HD13 ILE 48 12.037 -11.331 -1.279 331 H TYR 49 H TYR 49 7.201 -14.515 -2.299 332 HA TYR 49 HA TYR 49 6.667 -17.282 -1.496 333 HB2 TYR 49 HB2 TYR 49 5.389 -15.449 -3.518 334 HB3 TYR 49 HB3 TYR 49 5.063 -17.178 -3.492 335 HD1 TYR 49 HD1 TYR 49 4.940 -14.137 -1.347 336 HD2 TYR 49 HD2 TYR 49 3.406 -18.036 -2.090 337 HE1 TYR 49 HE1 TYR 49 3.214 -13.778 0.368 338 HE2 TYR 49 HE2 TYR 49 1.675 -17.687 -0.378 339 HH TYR 49 HH TYR 49 1.355 -14.587 1.308 340 H SER 50 H SER 50 6.325 -18.633 -3.737 341 HA SER 50 HA SER 50 9.014 -18.738 -4.861 342 HB2 SER 50 HB2 SER 50 6.821 -20.659 -4.444 343 HB3 SER 50 HB3 SER 50 7.682 -20.855 -5.970 344 HG SER 50 HG SER 50 8.467 -21.867 -3.815 345 H GLN 51 H GLN 51 5.914 -19.519 -6.398 346 HA GLN 51 HA GLN 51 6.649 -17.720 -8.612 347 HB2 GLN 51 HB2 GLN 51 6.717 -20.352 -8.903 348 HB3 GLN 51 HB3 GLN 51 4.985 -20.142 -9.125 349 HG2 GLN 51 HG2 GLN 51 5.787 -18.274 -10.808 350 HG3 GLN 51 HG3 GLN 51 7.241 -19.270 -10.840 351 HE21 GLN 51 HE21 GLN 51 7.252 -21.072 -12.031 352 HE22 GLN 51 HE22 GLN 51 5.885 -21.714 -12.869 353 H HIS 52 H HIS 52 3.854 -19.539 -7.339 354 HA HIS 52 HA HIS 52 1.981 -17.636 -8.378 355 HB2 HIS 52 HB2 HIS 52 1.785 -20.088 -6.664 356 HB3 HIS 52 HB3 HIS 52 0.403 -19.006 -6.798 357 HD1 HIS 52 HD1 HIS 52 -0.917 -19.045 -8.974 358 HD2 HIS 52 HD2 HIS 52 2.474 -21.443 -9.063 359 HE1 HIS 52 HE1 HIS 52 -1.124 -20.423 -11.067 360 H CYS 53 H CYS 53 0.271 -16.712 -6.847 361 HA CYS 53 HA CYS 53 1.621 -15.561 -4.493 362 HB2 CYS 53 HB2 CYS 53 -0.111 -14.320 -6.590 363 HB3 CYS 53 HB3 CYS 53 -0.161 -13.667 -4.956 364 HA PRO 54 HA PRO 54 -1.635 -16.951 -1.903 365 HB2 PRO 54 HB2 PRO 54 -1.942 -14.870 -0.186 366 HB3 PRO 54 HB3 PRO 54 -0.540 -15.947 -0.150 367 HG2 PRO 54 HG2 PRO 54 -0.808 -13.226 -1.370 368 HG3 PRO 54 HG3 PRO 54 0.528 -13.899 -0.418 369 HD2 PRO 54 HD2 PRO 54 0.601 -13.739 -3.120 370 HD3 PRO 54 HD3 PRO 54 1.402 -15.041 -2.219 371 H CYS 55 H CYS 55 -3.836 -16.488 -1.117 372 HA CYS 55 HA CYS 55 -5.475 -15.458 -3.181 373 HB2 CYS 55 HB2 CYS 55 -6.100 -16.265 -0.336 374 HB3 CYS 55 HB3 CYS 55 -7.329 -15.802 -1.508 375 H GLY 56 H GLY 56 -6.101 -13.442 -3.581 376 HA2 GLY 56 HA2 GLY 56 -6.403 -11.549 -1.376 377 HA3 GLY 56 HA3 GLY 56 -5.231 -11.138 -2.619 378 H GLU 57 H GLU 57 -7.926 -12.911 -3.726 379 HA GLU 57 HA GLU 57 -9.229 -10.432 -4.641 380 HB2 GLU 57 HB2 GLU 57 -9.667 -11.441 -6.787 381 HB3 GLU 57 HB3 GLU 57 -7.942 -11.533 -6.458 382 HG2 GLU 57 HG2 GLU 57 -8.070 -13.844 -5.958 383 HG3 GLU 57 HG3 GLU 57 -9.832 -13.809 -5.937 384 H GLY 58 H GLY 58 -9.868 -12.063 -2.333 385 HA2 GLY 58 HA2 GLY 58 -11.982 -12.451 -1.380 386 HA3 GLY 58 HA3 GLY 58 -12.662 -12.583 -2.995 387 H LEU 59 H LEU 59 -9.778 -14.340 -2.241 388 HA LEU 59 HA LEU 59 -11.346 -16.831 -2.267 389 HB2 LEU 59 HB2 LEU 59 -8.469 -16.372 -3.041 390 HB3 LEU 59 HB3 LEU 59 -9.313 -17.918 -3.096 391 HG LEU 59 HG LEU 59 -10.371 -15.623 -4.686 392 HD11 LEU 59 HD11 LEU 59 -8.923 -16.087 -6.518 393 HD12 LEU 59 HD12 LEU 59 -8.170 -17.431 -5.661 394 HD13 LEU 59 HD13 LEU 59 -7.911 -15.776 -5.108 395 HD21 LEU 59 HD21 LEU 59 -11.565 -17.818 -4.424 396 HD22 LEU 59 HD22 LEU 59 -10.231 -18.568 -5.300 397 HD23 LEU 59 HD23 LEU 59 -11.225 -17.342 -6.088 398 H SER 60 H SER 60 -9.971 -18.695 -1.218 399 HA SER 60 HA SER 60 -8.503 -17.860 1.137 400 HB2 SER 60 HB2 SER 60 -11.166 -18.002 1.489 401 HB3 SER 60 HB3 SER 60 -10.754 -19.695 1.760 402 HG SER 60 HG SER 60 -9.089 -18.780 3.240 403 H CYS 61 H CYS 61 -6.829 -19.183 1.278 404 HA CYS 61 HA CYS 61 -6.453 -21.476 -0.239 405 HB2 CYS 61 HB2 CYS 61 -5.095 -20.212 2.060 406 HB3 CYS 61 HB3 CYS 61 -4.777 -21.931 1.848 407 H THR 62 H THR 62 -7.718 -23.217 -0.176 408 HA THR 62 HA THR 62 -8.335 -24.385 2.459 409 HB THR 62 HB THR 62 -10.352 -23.439 1.331 410 HG1 THR 62 HG1 THR 62 -11.561 -25.155 1.947 411 HG21 THR 62 HG21 THR 62 -11.233 -24.420 -0.654 412 HG22 THR 62 HG22 THR 62 -9.996 -25.678 -0.657 413 HG23 THR 62 HG23 THR 62 -9.554 -24.004 -0.993 414 H LYS 63 H LYS 63 -7.957 -26.527 2.731 415 HA LYS 63 HA LYS 63 -6.273 -27.849 0.846 416 HB2 LYS 63 HB2 LYS 63 -6.226 -28.087 3.383 417 HB3 LYS 63 HB3 LYS 63 -7.634 -29.127 3.214 418 HG2 LYS 63 HG2 LYS 63 -6.288 -30.583 1.703 419 HG3 LYS 63 HG3 LYS 63 -4.880 -29.594 2.098 420 HD2 LYS 63 HD2 LYS 63 -4.657 -30.510 4.144 421 HD3 LYS 63 HD3 LYS 63 -6.400 -30.565 4.418 422 HE2 LYS 63 HE2 LYS 63 -6.237 -32.449 2.551 423 HE3 LYS 63 HE3 LYS 63 -4.598 -32.577 3.186 424 HZ1 LYS 63 HZ1 LYS 63 -6.275 -32.453 5.381 425 HZ2 LYS 63 HZ2 LYS 63 -5.425 -33.802 4.817 426 HZ3 LYS 63 HZ3 LYS 63 -7.014 -33.529 4.305 427 H VAL 64 H VAL 64 -6.880 -28.972 -0.873 428 HA VAL 64 HA VAL 64 -9.583 -30.150 -0.902 429 HB VAL 64 HB VAL 64 -9.575 -29.921 -3.335 430 HG11 VAL 64 HG11 VAL 64 -8.940 -27.338 -1.912 431 HG12 VAL 64 HG12 VAL 64 -9.769 -27.482 -3.463 432 HG13 VAL 64 HG13 VAL 64 -10.520 -28.117 -1.999 433 HG21 VAL 64 HG21 VAL 64 -7.831 -28.703 -4.496 434 HG22 VAL 64 HG22 VAL 64 -6.951 -28.472 -2.985 435 HG23 VAL 64 HG23 VAL 64 -7.137 -30.091 -3.657 436 H GLY 65 H GLY 65 -6.216 -30.726 -1.171 437 HA2 GLY 65 HA2 GLY 65 -6.776 -33.558 -1.734 438 HA3 GLY 65 HA3 GLY 65 -5.553 -32.722 -2.680 439 H GLU 66 H GLU 66 -4.032 -34.289 -1.904 440 HA GLU 66 HA GLU 66 -2.963 -33.550 0.724 441 HB2 GLU 66 HB2 GLU 66 -2.352 -36.117 0.846 442 HB3 GLU 66 HB3 GLU 66 -3.901 -35.521 1.425 443 HG2 GLU 66 HG2 GLU 66 -5.027 -36.282 -0.501 444 HG3 GLU 66 HG3 GLU 66 -3.515 -36.570 -1.360 445 HA PRO 67 HA PRO 67 -1.268 -34.897 1.920 446 HB2 PRO 67 HB2 PRO 67 0.952 -33.635 2.843 447 HB3 PRO 67 HB3 PRO 67 0.973 -35.294 2.235 448 HG2 PRO 67 HG2 PRO 67 1.752 -32.759 0.847 449 HG3 PRO 67 HG3 PRO 67 2.569 -34.333 0.843 450 HD2 PRO 67 HD2 PRO 67 0.997 -33.503 -1.199 451 HD3 PRO 67 HD3 PRO 67 1.142 -35.211 -0.739 452 H ASN 68 H ASN 68 0.058 -31.802 0.732 453 HA ASN 68 HA ASN 68 -2.028 -30.417 2.276 454 HB2 ASN 68 HB2 ASN 68 0.719 -29.243 1.921 455 HB3 ASN 68 HB3 ASN 68 -0.526 -28.800 3.085 456 HD21 ASN 68 HD21 ASN 68 -0.544 -29.748 5.030 457 HD22 ASN 68 HD22 ASN 68 0.537 -31.002 5.523 458 H LYS 69 H LYS 69 -2.505 -31.011 -0.294 459 HA LYS 69 HA LYS 69 -1.592 -29.023 -2.128 460 HB2 LYS 69 HB2 LYS 69 -2.418 -31.321 -2.749 461 HB3 LYS 69 HB3 LYS 69 -4.046 -30.767 -2.381 462 HG2 LYS 69 HG2 LYS 69 -4.025 -29.214 -4.159 463 HG3 LYS 69 HG3 LYS 69 -2.286 -29.400 -4.395 464 HD2 LYS 69 HD2 LYS 69 -2.828 -31.864 -4.897 465 HD3 LYS 69 HD3 LYS 69 -4.496 -31.314 -5.077 466 HE2 LYS 69 HE2 LYS 69 -3.483 -31.329 -7.242 467 HE3 LYS 69 HE3 LYS 69 -3.689 -29.649 -6.749 468 HZ1 LYS 69 HZ1 LYS 69 -1.163 -31.204 -6.587 469 HZ2 LYS 69 HZ2 LYS 69 -1.358 -29.594 -6.104 470 HZ3 LYS 69 HZ3 LYS 69 -1.519 -30.014 -7.735 471 H LEU 70 H LEU 70 -2.053 -27.117 -0.831 472 HA LEU 70 HA LEU 70 -4.794 -26.403 -0.319 473 HB2 LEU 70 HB2 LEU 70 -2.171 -25.407 0.367 474 HB3 LEU 70 HB3 LEU 70 -3.234 -24.099 -0.147 475 HG LEU 70 HG LEU 70 -4.842 -24.708 1.582 476 HD11 LEU 70 HD11 LEU 70 -2.845 -26.854 2.280 477 HD12 LEU 70 HD12 LEU 70 -4.492 -27.086 1.696 478 HD13 LEU 70 HD13 LEU 70 -4.213 -26.384 3.289 479 HD21 LEU 70 HD21 LEU 70 -2.418 -23.466 1.944 480 HD22 LEU 70 HD22 LEU 70 -2.458 -24.644 3.257 481 HD23 LEU 70 HD23 LEU 70 -3.760 -23.465 3.088 482 H ARG 71 H ARG 71 -6.140 -25.324 -1.612 483 HA ARG 71 HA ARG 71 -5.020 -23.944 -3.960 484 HB2 ARG 71 HB2 ARG 71 -7.615 -25.489 -3.950 485 HB3 ARG 71 HB3 ARG 71 -6.822 -24.747 -5.333 486 HG2 ARG 71 HG2 ARG 71 -5.567 -26.960 -3.736 487 HG3 ARG 71 HG3 ARG 71 -6.612 -27.250 -5.128 488 HD2 ARG 71 HD2 ARG 71 -4.855 -26.983 -6.459 489 HD3 ARG 71 HD3 ARG 71 -4.737 -25.308 -5.922 490 HE ARG 71 HE ARG 71 -3.451 -26.630 -3.967 491 HH11 ARG 71 HH11 ARG 71 -3.191 -26.743 -7.437 492 HH12 ARG 71 HH12 ARG 71 -1.508 -27.154 -7.428 493 HH21 ARG 71 HH21 ARG 71 -1.235 -27.170 -3.942 494 HH22 ARG 71 HH22 ARG 71 -0.397 -27.397 -5.440 495 H CYS 72 H CYS 72 -6.371 -22.234 -4.829 496 HA CYS 72 HA CYS 72 -7.506 -20.631 -2.744 497 HB2 CYS 72 HB2 CYS 72 -6.739 -20.276 -5.558 498 HB3 CYS 72 HB3 CYS 72 -8.151 -19.341 -5.078 499 H GLN 73 H GLN 73 -9.572 -20.431 -2.162 500 HA GLN 73 HA GLN 73 -11.680 -21.264 -4.012 501 HB2 GLN 73 HB2 GLN 73 -11.061 -23.171 -2.465 502 HB3 GLN 73 HB3 GLN 73 -11.644 -22.177 -1.136 503 HG2 GLN 73 HG2 GLN 73 -13.258 -23.880 -2.034 504 HG3 GLN 73 HG3 GLN 73 -13.857 -22.225 -1.935 505 HE21 GLN 73 HE21 GLN 73 -11.749 -23.723 -4.341 506 HE22 GLN 73 HE22 GLN 73 -12.798 -23.456 -5.687 507 H GLU 74 H GLU 74 -13.218 -19.772 -4.111 508 HA GLU 74 HA GLU 74 -13.216 -17.394 -2.713 509 HB2 GLU 74 HB2 GLU 74 -15.411 -18.857 -4.160 510 HB3 GLU 74 HB3 GLU 74 -15.697 -17.297 -3.402 511 HG2 GLU 74 HG2 GLU 74 -13.398 -17.576 -5.265 512 HG3 GLU 74 HG3 GLU 74 -15.028 -17.486 -5.930 513 H GLU 75 H GLU 75 -13.505 -16.993 -0.631 514 HA GLU 75 HA GLU 75 -14.579 -18.865 1.194 515 HB2 GLU 75 HB2 GLU 75 -12.952 -16.824 1.541 516 HB3 GLU 75 HB3 GLU 75 -14.446 -15.951 1.851 517 HG2 GLU 75 HG2 GLU 75 -13.915 -18.512 3.280 518 HG3 GLU 75 HG3 GLU 75 -13.121 -17.029 3.810 519 H SER 76 H SER 76 -16.513 -18.851 2.355 520 HA SER 76 HA SER 76 -18.718 -17.493 0.978 521 HB2 SER 76 HB2 SER 76 -18.655 -19.897 2.811 522 HB3 SER 76 HB3 SER 76 -20.149 -19.146 2.249 523 HG SER 76 HG SER 76 -18.614 -20.916 0.988 Start of MODEL 2 1 H1 SER 1 H SER 1 2.636 1.255 0.581 2 HA SER 1 HA SER 1 1.687 -0.187 -1.764 3 HB2 SER 1 HB2 SER 1 2.699 2.210 -1.733 4 HB3 SER 1 HB3 SER 1 4.252 1.378 -1.650 5 HG SER 1 HG SER 1 2.276 0.940 -3.641 6 H VAL 2 H VAL 2 2.992 -1.690 -2.916 7 HA VAL 2 HA VAL 2 4.500 -3.430 -1.170 8 HB VAL 2 HB VAL 2 3.920 -3.712 -4.123 9 HG11 VAL 2 HG11 VAL 2 5.400 -5.373 -4.031 10 HG12 VAL 2 HG12 VAL 2 5.544 -5.239 -2.277 11 HG13 VAL 2 HG13 VAL 2 4.261 -6.221 -2.986 12 HG21 VAL 2 HG21 VAL 2 2.208 -5.358 -3.330 13 HG22 VAL 2 HG22 VAL 2 2.473 -4.756 -1.693 14 HG23 VAL 2 HG23 VAL 2 1.846 -3.677 -2.939 15 H THR 3 H THR 3 6.656 -3.727 -1.130 16 HA THR 3 HA THR 3 8.286 -2.314 -3.135 17 HB THR 3 HB THR 3 9.052 -2.507 -0.222 18 HG1 THR 3 HG1 THR 3 7.432 -1.092 -0.071 19 HG21 THR 3 HG21 THR 3 10.094 -0.337 -1.888 20 HG22 THR 3 HG22 THR 3 10.570 -1.946 -2.433 21 HG23 THR 3 HG23 THR 3 10.938 -1.426 -0.787 22 H CYS 4 H CYS 4 9.273 -3.852 -4.274 23 HA CYS 4 HA CYS 4 10.593 -6.035 -2.803 24 HB2 CYS 4 HB2 CYS 4 9.355 -6.349 -5.540 25 HB3 CYS 4 HB3 CYS 4 10.008 -7.615 -4.503 26 H GLY 5 H GLY 5 12.621 -6.627 -3.502 27 HA2 GLY 5 HA2 GLY 5 14.698 -6.280 -4.418 28 HA3 GLY 5 HA3 GLY 5 13.826 -6.059 -5.929 29 H GLY 6 H GLY 6 13.723 -4.051 -3.008 30 HA2 GLY 6 HA2 GLY 6 14.220 -1.835 -2.680 31 HA3 GLY 6 HA3 GLY 6 15.482 -2.047 -3.885 32 H LYS 7 H LYS 7 12.258 -2.757 -4.847 33 HA LYS 7 HA LYS 7 11.952 -0.099 -6.057 34 HB2 LYS 7 HB2 LYS 7 11.803 -2.752 -7.490 35 HB3 LYS 7 HB3 LYS 7 11.136 -1.267 -8.154 36 HG2 LYS 7 HG2 LYS 7 13.524 -0.326 -7.765 37 HG3 LYS 7 HG3 LYS 7 13.988 -2.028 -7.714 38 HD2 LYS 7 HD2 LYS 7 13.281 -2.401 -9.920 39 HD3 LYS 7 HD3 LYS 7 12.338 -0.910 -9.961 40 HE2 LYS 7 HE2 LYS 7 14.346 0.417 -9.962 41 HE3 LYS 7 HE3 LYS 7 15.342 -1.020 -9.738 42 HZ1 LYS 7 HZ1 LYS 7 14.559 0.124 -12.131 43 HZ2 LYS 7 HZ2 LYS 7 13.693 -1.324 -12.013 44 HZ3 LYS 7 HZ3 LYS 7 15.382 -1.339 -11.916 45 H GLN 8 H GLN 8 9.874 0.635 -6.205 46 HA GLN 8 HA GLN 8 7.891 -0.817 -4.680 47 HB2 GLN 8 HB2 GLN 8 8.178 1.946 -5.738 48 HB3 GLN 8 HB3 GLN 8 6.544 1.352 -5.474 49 HG2 GLN 8 HG2 GLN 8 6.824 1.190 -3.195 50 HG3 GLN 8 HG3 GLN 8 8.581 1.081 -3.314 51 HE21 GLN 8 HE21 GLN 8 9.414 2.764 -2.309 52 HE22 GLN 8 HE22 GLN 8 8.904 4.405 -2.481 53 H CYS 9 H CYS 9 6.117 -1.827 -5.445 54 HA CYS 9 HA CYS 9 5.635 -1.719 -8.350 55 HB2 CYS 9 HB2 CYS 9 5.793 -4.071 -6.499 56 HB3 CYS 9 HB3 CYS 9 4.761 -4.152 -7.923 57 H LYS 10 H LYS 10 3.394 -2.513 -8.924 58 HA LYS 10 HA LYS 10 1.478 -0.945 -7.544 59 HB2 LYS 10 HB2 LYS 10 1.427 -2.847 -9.839 60 HB3 LYS 10 HB3 LYS 10 -0.102 -2.444 -9.070 61 HG2 LYS 10 HG2 LYS 10 0.370 -0.053 -9.457 62 HG3 LYS 10 HG3 LYS 10 1.846 -0.511 -10.310 63 HD2 LYS 10 HD2 LYS 10 -0.891 -1.490 -11.100 64 HD3 LYS 10 HD3 LYS 10 -0.154 -0.032 -11.769 65 HE2 LYS 10 HE2 LYS 10 1.242 -2.690 -11.833 66 HE3 LYS 10 HE3 LYS 10 0.099 -2.210 -13.088 67 HZ1 LYS 10 HZ1 LYS 10 1.759 -0.060 -12.833 68 HZ2 LYS 10 HZ2 LYS 10 1.823 -1.226 -14.057 69 HZ3 LYS 10 HZ3 LYS 10 2.805 -1.382 -12.688 70 HA PRO 11 HA PRO 11 -0.191 -3.664 -4.533 71 HB2 PRO 11 HB2 PRO 11 -2.853 -3.158 -4.694 72 HB3 PRO 11 HB3 PRO 11 -1.696 -2.010 -4.009 73 HG2 PRO 11 HG2 PRO 11 -2.912 -2.069 -6.743 74 HG3 PRO 11 HG3 PRO 11 -2.649 -0.685 -5.665 75 HD2 PRO 11 HD2 PRO 11 -1.004 -1.249 -7.743 76 HD3 PRO 11 HD3 PRO 11 -0.424 -0.502 -6.240 77 H ASN 12 H ASN 12 -1.937 -5.371 -4.176 78 HA ASN 12 HA ASN 12 -2.855 -7.378 -4.725 79 HB2 ASN 12 HB2 ASN 12 -3.143 -6.282 -7.527 80 HB3 ASN 12 HB3 ASN 12 -4.091 -7.561 -6.774 81 HD21 ASN 12 HD21 ASN 12 -3.817 -4.246 -7.361 82 HD22 ASN 12 HD22 ASN 12 -5.143 -3.714 -6.389 83 H SER 13 H SER 13 0.038 -6.811 -5.115 84 HA SER 13 HA SER 13 0.636 -9.195 -6.702 85 HB2 SER 13 HB2 SER 13 2.353 -8.154 -7.977 86 HB3 SER 13 HB3 SER 13 0.954 -7.087 -8.097 87 HG SER 13 HG SER 13 2.721 -5.827 -7.626 88 H CYS 14 H CYS 14 1.768 -10.536 -5.480 89 HA CYS 14 HA CYS 14 3.177 -9.539 -3.141 90 HB2 CYS 14 HB2 CYS 14 3.266 -11.796 -2.400 91 HB3 CYS 14 HB3 CYS 14 1.669 -11.578 -3.109 92 H CYS 15 H CYS 15 5.338 -10.582 -2.634 93 HA CYS 15 HA CYS 15 7.072 -10.212 -4.950 94 HB2 CYS 15 HB2 CYS 15 7.905 -10.616 -2.076 95 HB3 CYS 15 HB3 CYS 15 8.867 -9.946 -3.389 96 H VAL 16 H VAL 16 8.072 -11.826 -5.968 97 HA VAL 16 HA VAL 16 8.066 -14.486 -4.694 98 HB VAL 16 HB VAL 16 8.134 -15.368 -7.078 99 HG11 VAL 16 HG11 VAL 16 5.959 -14.501 -5.456 100 HG12 VAL 16 HG12 VAL 16 5.531 -14.262 -7.151 101 HG13 VAL 16 HG13 VAL 16 6.026 -15.856 -6.582 102 HG21 VAL 16 HG21 VAL 16 7.035 -12.657 -7.781 103 HG22 VAL 16 HG22 VAL 16 8.725 -13.097 -8.028 104 HG23 VAL 16 HG23 VAL 16 7.451 -13.981 -8.868 105 H GLN 17 H GLN 17 9.913 -15.704 -4.761 106 HA GLN 17 HA GLN 17 12.295 -14.387 -5.887 107 HB2 GLN 17 HB2 GLN 17 11.764 -15.516 -3.246 108 HB3 GLN 17 HB3 GLN 17 13.237 -16.144 -3.975 109 HG2 GLN 17 HG2 GLN 17 12.751 -13.206 -3.976 110 HG3 GLN 17 HG3 GLN 17 13.287 -13.997 -2.495 111 HE21 GLN 17 HE21 GLN 17 14.074 -13.576 -5.907 112 HE22 GLN 17 HE22 GLN 17 15.785 -13.725 -5.716 113 H ASN 18 H ASN 18 13.617 -15.543 -7.188 114 HA ASN 18 HA ASN 18 13.106 -18.423 -7.473 115 HB2 ASN 18 HB2 ASN 18 13.633 -16.635 -9.844 116 HB3 ASN 18 HB3 ASN 18 13.064 -18.302 -9.843 117 HD21 ASN 18 HD21 ASN 18 10.930 -18.663 -8.812 118 HD22 ASN 18 HD22 ASN 18 9.711 -17.462 -9.051 119 H SER 19 H SER 19 15.209 -16.860 -6.115 120 HA SER 19 HA SER 19 17.594 -16.737 -7.532 121 HB2 SER 19 HB2 SER 19 18.673 -17.109 -5.246 122 HB3 SER 19 HB3 SER 19 17.546 -15.759 -5.369 123 HG SER 19 HG SER 19 17.421 -17.949 -3.797 124 H HIS 20 H HIS 20 18.968 -18.199 -8.318 125 HA HIS 20 HA HIS 20 18.433 -21.029 -7.764 126 HB2 HIS 20 HB2 HIS 20 20.090 -19.814 -9.984 127 HB3 HIS 20 HB3 HIS 20 19.626 -21.506 -9.829 128 HD1 HIS 20 HD1 HIS 20 18.610 -18.432 -11.406 129 HD2 HIS 20 HD2 HIS 20 16.676 -21.826 -9.991 130 HE1 HIS 20 HE1 HIS 20 16.349 -18.427 -12.507 131 H GLY 21 H GLY 21 19.966 -19.183 -6.003 132 HA2 GLY 21 HA2 GLY 21 21.725 -19.575 -4.542 133 HA3 GLY 21 HA3 GLY 21 22.184 -20.963 -5.518 134 H LYS 22 H LYS 22 21.736 -17.916 -7.083 135 HA LYS 22 HA LYS 22 24.488 -17.893 -7.923 136 HB2 LYS 22 HB2 LYS 22 22.280 -15.891 -8.434 137 HB3 LYS 22 HB3 LYS 22 23.837 -15.931 -9.251 138 HG2 LYS 22 HG2 LYS 22 21.989 -18.285 -9.331 139 HG3 LYS 22 HG3 LYS 22 21.799 -16.928 -10.445 140 HD2 LYS 22 HD2 LYS 22 24.314 -17.281 -10.933 141 HD3 LYS 22 HD3 LYS 22 24.072 -18.866 -10.194 142 HE2 LYS 22 HE2 LYS 22 22.069 -19.041 -11.833 143 HE3 LYS 22 HE3 LYS 22 22.884 -17.741 -12.702 144 HZ1 LYS 22 HZ1 LYS 22 23.462 -19.994 -13.495 145 HZ2 LYS 22 HZ2 LYS 22 24.164 -20.323 -11.991 146 HZ3 LYS 22 HZ3 LYS 22 24.806 -19.106 -12.976 147 H GLY 23 H GLY 23 22.574 -16.312 -5.505 148 HA2 GLY 23 HA2 GLY 23 23.576 -15.277 -3.610 149 HA3 GLY 23 HA3 GLY 23 24.983 -14.902 -4.594 150 H LYS 24 H LYS 24 22.006 -14.279 -6.118 151 HA LYS 24 HA LYS 24 22.148 -11.436 -5.362 152 HB2 LYS 24 HB2 LYS 24 21.968 -12.675 -8.093 153 HB3 LYS 24 HB3 LYS 24 21.338 -11.059 -7.802 154 HG2 LYS 24 HG2 LYS 24 23.682 -10.592 -6.806 155 HG3 LYS 24 HG3 LYS 24 24.160 -12.034 -7.706 156 HD2 LYS 24 HD2 LYS 24 23.732 -11.050 -9.758 157 HD3 LYS 24 HD3 LYS 24 22.617 -9.866 -9.073 158 HE2 LYS 24 HE2 LYS 24 25.510 -9.829 -8.315 159 HE3 LYS 24 HE3 LYS 24 24.987 -9.118 -9.841 160 HZ1 LYS 24 HZ1 LYS 24 23.230 -8.055 -8.130 161 HZ2 LYS 24 HZ2 LYS 24 24.677 -7.306 -8.582 162 HZ3 LYS 24 HZ3 LYS 24 24.592 -8.176 -7.134 163 H ASP 25 H ASP 25 20.431 -11.737 -3.900 164 HA ASP 25 HA ASP 25 17.972 -12.942 -4.541 165 HB2 ASP 25 HB2 ASP 25 17.107 -11.539 -2.599 166 HB3 ASP 25 HB3 ASP 25 18.449 -12.622 -2.243 167 H SER 26 H SER 26 17.153 -12.256 -6.488 168 HA SER 26 HA SER 26 16.287 -9.441 -6.593 169 HB2 SER 26 HB2 SER 26 18.046 -9.918 -8.262 170 HB3 SER 26 HB3 SER 26 17.044 -11.203 -8.937 171 HG SER 26 HG SER 26 16.178 -9.698 -10.104 172 HA PRO 27 HA PRO 27 12.483 -12.015 -6.554 173 HB2 PRO 27 HB2 PRO 27 11.017 -10.193 -5.172 174 HB3 PRO 27 HB3 PRO 27 12.078 -11.370 -4.386 175 HG2 PRO 27 HG2 PRO 27 12.582 -8.487 -5.010 176 HG3 PRO 27 HG3 PRO 27 12.963 -9.396 -3.535 177 HD2 PRO 27 HD2 PRO 27 14.821 -8.842 -5.426 178 HD3 PRO 27 HD3 PRO 27 14.865 -10.324 -4.448 179 H ARG 28 H ARG 28 10.302 -11.496 -7.370 180 HA ARG 28 HA ARG 28 10.250 -9.162 -9.158 181 HB2 ARG 28 HB2 ARG 28 10.756 -11.571 -10.176 182 HB3 ARG 28 HB3 ARG 28 9.003 -11.699 -10.096 183 HG2 ARG 28 HG2 ARG 28 8.691 -9.919 -11.587 184 HG3 ARG 28 HG3 ARG 28 10.357 -9.365 -11.404 185 HD2 ARG 28 HD2 ARG 28 9.853 -12.107 -12.456 186 HD3 ARG 28 HD3 ARG 28 9.601 -10.726 -13.523 187 HE ARG 28 HE ARG 28 12.108 -11.782 -12.629 188 HH11 ARG 28 HH11 ARG 28 10.463 -8.909 -13.702 189 HH12 ARG 28 HH12 ARG 28 11.905 -8.140 -14.277 190 HH21 ARG 28 HH21 ARG 28 14.014 -10.780 -13.382 191 HH22 ARG 28 HH22 ARG 28 13.924 -9.206 -14.096 192 H CYS 29 H CYS 29 8.022 -8.691 -9.966 193 HA CYS 29 HA CYS 29 6.128 -9.014 -7.761 194 HB2 CYS 29 HB2 CYS 29 5.873 -7.207 -10.169 195 HB3 CYS 29 HB3 CYS 29 4.959 -7.122 -8.667 196 H HIS 30 H HIS 30 4.604 -10.510 -7.886 197 HA HIS 30 HA HIS 30 3.634 -11.313 -10.551 198 HB2 HIS 30 HB2 HIS 30 4.782 -12.903 -8.476 199 HB3 HIS 30 HB3 HIS 30 3.088 -13.357 -8.646 200 HD1 HIS 30 HD1 HIS 30 5.602 -12.438 -11.349 201 HD2 HIS 30 HD2 HIS 30 3.181 -15.600 -10.162 202 HE1 HIS 30 HE1 HIS 30 5.852 -14.185 -13.140 203 HA PRO 31 HA PRO 31 -0.411 -10.145 -9.295 204 HB2 PRO 31 HB2 PRO 31 -1.894 -11.837 -10.812 205 HB3 PRO 31 HB3 PRO 31 -1.031 -10.450 -11.486 206 HG2 PRO 31 HG2 PRO 31 -0.238 -13.337 -11.446 207 HG3 PRO 31 HG3 PRO 31 -0.112 -12.159 -12.766 208 HD2 PRO 31 HD2 PRO 31 2.002 -12.843 -11.218 209 HD3 PRO 31 HD3 PRO 31 1.814 -11.221 -11.916 210 H LEU 32 H LEU 32 -2.053 -10.725 -7.904 211 HA LEU 32 HA LEU 32 -1.586 -12.745 -6.042 212 HB2 LEU 32 HB2 LEU 32 -3.982 -11.097 -6.740 213 HB3 LEU 32 HB3 LEU 32 -4.107 -12.379 -5.537 214 HG LEU 32 HG LEU 32 -2.167 -10.081 -5.345 215 HD11 LEU 32 HD11 LEU 32 -5.010 -10.337 -4.532 216 HD12 LEU 32 HD12 LEU 32 -4.109 -8.923 -5.078 217 HD13 LEU 32 HD13 LEU 32 -3.900 -9.519 -3.432 218 HD21 LEU 32 HD21 LEU 32 -1.953 -10.780 -3.033 219 HD22 LEU 32 HD22 LEU 32 -1.553 -12.116 -4.113 220 HD23 LEU 32 HD23 LEU 32 -3.116 -12.080 -3.296 221 H GLY 33 H GLY 33 -2.600 -14.740 -5.639 222 HA2 GLY 33 HA2 GLY 33 -3.009 -16.365 -7.906 223 HA3 GLY 33 HA3 GLY 33 -3.364 -16.818 -6.246 224 H LYS 34 H LYS 34 -4.828 -17.275 -8.806 225 HA LYS 34 HA LYS 34 -7.326 -15.835 -8.263 226 HB2 LYS 34 HB2 LYS 34 -8.021 -16.399 -10.459 227 HB3 LYS 34 HB3 LYS 34 -6.339 -15.905 -10.594 228 HG2 LYS 34 HG2 LYS 34 -5.639 -18.223 -10.705 229 HG3 LYS 34 HG3 LYS 34 -7.308 -18.754 -10.492 230 HD2 LYS 34 HD2 LYS 34 -6.944 -18.895 -12.801 231 HD3 LYS 34 HD3 LYS 34 -7.818 -17.376 -12.590 232 HE2 LYS 34 HE2 LYS 34 -5.620 -16.197 -12.595 233 HE3 LYS 34 HE3 LYS 34 -4.850 -17.733 -12.989 234 HZ1 LYS 34 HZ1 LYS 34 -7.006 -17.216 -14.754 235 HZ2 LYS 34 HZ2 LYS 34 -5.373 -17.466 -15.112 236 HZ3 LYS 34 HZ3 LYS 34 -5.931 -15.910 -14.755 237 H LEU 35 H LEU 35 -9.231 -17.489 -9.166 238 HA LEU 35 HA LEU 35 -9.490 -19.374 -7.037 239 HB2 LEU 35 HB2 LEU 35 -11.395 -18.128 -7.948 240 HB3 LEU 35 HB3 LEU 35 -11.201 -18.966 -9.487 241 HG LEU 35 HG LEU 35 -11.698 -21.107 -8.284 242 HD11 LEU 35 HD11 LEU 35 -12.448 -19.231 -6.047 243 HD12 LEU 35 HD12 LEU 35 -11.123 -20.394 -6.030 244 HD13 LEU 35 HD13 LEU 35 -12.792 -20.959 -6.102 245 HD21 LEU 35 HD21 LEU 35 -13.376 -19.287 -9.386 246 HD22 LEU 35 HD22 LEU 35 -14.075 -19.456 -7.775 247 HD23 LEU 35 HD23 LEU 35 -13.872 -20.876 -8.802 248 H ASN 36 H ASN 36 -9.728 -21.641 -7.194 249 HA ASN 36 HA ASN 36 -9.098 -23.726 -7.849 250 HB2 ASN 36 HB2 ASN 36 -9.348 -22.708 -10.682 251 HB3 ASN 36 HB3 ASN 36 -9.541 -24.363 -10.111 252 HD21 ASN 36 HD21 ASN 36 -11.135 -23.970 -7.905 253 HD22 ASN 36 HD22 ASN 36 -12.680 -23.387 -8.414 254 H ASN 37 H ASN 37 -7.099 -21.473 -7.651 255 HA ASN 37 HA ASN 37 -4.950 -22.719 -9.237 256 HB2 ASN 37 HB2 ASN 37 -5.693 -19.929 -8.840 257 HB3 ASN 37 HB3 ASN 37 -4.004 -20.231 -8.441 258 HD21 ASN 37 HD21 ASN 37 -6.407 -20.936 -10.947 259 HD22 ASN 37 HD22 ASN 37 -5.314 -20.795 -12.277 260 HA PRO 38 HA PRO 38 -2.765 -23.733 -5.570 261 HB2 PRO 38 HB2 PRO 38 -0.189 -23.252 -6.282 262 HB3 PRO 38 HB3 PRO 38 -1.120 -24.616 -6.912 263 HG2 PRO 38 HG2 PRO 38 -0.551 -21.964 -8.180 264 HG3 PRO 38 HG3 PRO 38 -0.516 -23.582 -8.906 265 HD2 PRO 38 HD2 PRO 38 -2.603 -21.886 -9.226 266 HD3 PRO 38 HD3 PRO 38 -2.805 -23.649 -9.171 267 H CYS 39 H CYS 39 -2.129 -22.821 -3.681 268 HA CYS 39 HA CYS 39 -0.955 -20.166 -3.638 269 HB2 CYS 39 HB2 CYS 39 -2.640 -19.151 -2.275 270 HB3 CYS 39 HB3 CYS 39 -3.453 -19.841 -3.676 271 H GLU 40 H GLU 40 -0.385 -19.509 -1.376 272 HA GLU 40 HA GLU 40 0.125 -21.868 0.314 273 HB2 GLU 40 HB2 GLU 40 2.214 -21.307 -0.707 274 HB3 GLU 40 HB3 GLU 40 1.989 -19.597 -0.371 275 HG2 GLU 40 HG2 GLU 40 2.488 -19.834 1.873 276 HG3 GLU 40 HG3 GLU 40 2.129 -21.560 1.873 277 H VAL 41 H VAL 41 -0.052 -21.604 2.515 278 HA VAL 41 HA VAL 41 -1.880 -19.803 3.526 279 HB VAL 41 HB VAL 41 0.364 -21.053 5.116 280 HG11 VAL 41 HG11 VAL 41 -1.110 -20.866 7.003 281 HG12 VAL 41 HG12 VAL 41 -0.966 -19.279 6.244 282 HG13 VAL 41 HG13 VAL 41 -2.412 -20.255 5.982 283 HG21 VAL 41 HG21 VAL 41 -2.122 -22.189 3.948 284 HG22 VAL 41 HG22 VAL 41 -0.540 -22.933 4.183 285 HG23 VAL 41 HG23 VAL 41 -1.632 -22.733 5.553 286 H GLU 42 H GLU 42 1.643 -19.678 4.108 287 HA GLU 42 HA GLU 42 1.514 -16.759 3.999 288 HB2 GLU 42 HB2 GLU 42 2.485 -18.377 6.346 289 HB3 GLU 42 HB3 GLU 42 3.033 -16.730 6.066 290 HG2 GLU 42 HG2 GLU 42 0.571 -16.089 6.024 291 HG3 GLU 42 HG3 GLU 42 0.265 -17.691 6.694 292 HA PRO 43 HA PRO 43 5.340 -17.066 1.875 293 HB2 PRO 43 HB2 PRO 43 6.586 -14.782 2.650 294 HB3 PRO 43 HB3 PRO 43 5.211 -14.796 1.540 295 HG2 PRO 43 HG2 PRO 43 5.266 -14.228 4.478 296 HG3 PRO 43 HG3 PRO 43 4.382 -13.386 3.192 297 HD2 PRO 43 HD2 PRO 43 3.204 -15.193 4.828 298 HD3 PRO 43 HD3 PRO 43 2.704 -14.965 3.140 299 H ASN 44 H ASN 44 7.842 -16.344 2.455 300 HA ASN 44 HA ASN 44 8.650 -18.298 4.387 301 HB2 ASN 44 HB2 ASN 44 10.584 -16.330 3.241 302 HB3 ASN 44 HB3 ASN 44 10.782 -18.056 3.529 303 HD21 ASN 44 HD21 ASN 44 11.095 -16.193 1.143 304 HD22 ASN 44 HD22 ASN 44 10.260 -17.014 -0.127 305 H GLU 45 H GLU 45 10.855 -17.268 5.607 306 HA GLU 45 HA GLU 45 9.742 -15.895 7.812 307 HB2 GLU 45 HB2 GLU 45 12.021 -15.810 8.679 308 HB3 GLU 45 HB3 GLU 45 11.668 -17.402 8.022 309 HG2 GLU 45 HG2 GLU 45 12.796 -16.586 5.889 310 HG3 GLU 45 HG3 GLU 45 13.398 -15.247 6.864 311 H ASN 46 H ASN 46 11.044 -14.813 4.838 312 HA ASN 46 HA ASN 46 11.516 -12.111 5.856 313 HB2 ASN 46 HB2 ASN 46 12.177 -13.501 3.270 314 HB3 ASN 46 HB3 ASN 46 12.253 -11.747 3.406 315 HD21 ASN 46 HD21 ASN 46 14.237 -14.091 3.160 316 HD22 ASN 46 HD22 ASN 46 15.451 -13.698 4.325 317 H GLY 47 H GLY 47 9.290 -13.959 3.923 318 HA2 GLY 47 HA2 GLY 47 7.009 -13.167 3.743 319 HA3 GLY 47 HA3 GLY 47 7.641 -11.532 3.624 320 H ILE 48 H ILE 48 8.987 -14.267 1.891 321 HA ILE 48 HA ILE 48 8.012 -13.062 -0.617 322 HB ILE 48 HB ILE 48 10.496 -14.747 -0.390 323 HG12 ILE 48 HG12 ILE 48 10.832 -12.833 1.066 324 HG13 ILE 48 HG13 ILE 48 11.774 -12.619 -0.404 325 HG21 ILE 48 HG21 ILE 48 11.015 -13.335 -2.482 326 HG22 ILE 48 HG22 ILE 48 9.841 -14.642 -2.617 327 HG23 ILE 48 HG23 ILE 48 9.289 -12.973 -2.479 328 HD11 ILE 48 HD11 ILE 48 9.871 -10.876 0.741 329 HD12 ILE 48 HD12 ILE 48 10.812 -10.661 -0.734 330 HD13 ILE 48 HD13 ILE 48 9.229 -11.435 -0.804 331 H TYR 49 H TYR 49 7.582 -14.514 -2.383 332 HA TYR 49 HA TYR 49 6.773 -17.193 -1.460 333 HB2 TYR 49 HB2 TYR 49 5.541 -15.316 -3.466 334 HB3 TYR 49 HB3 TYR 49 5.165 -17.035 -3.466 335 HD1 TYR 49 HD1 TYR 49 4.906 -13.908 -1.529 336 HD2 TYR 49 HD2 TYR 49 3.725 -17.986 -1.813 337 HE1 TYR 49 HE1 TYR 49 3.198 -13.527 0.199 338 HE2 TYR 49 HE2 TYR 49 2.013 -17.617 -0.087 339 HH TYR 49 HH TYR 49 1.587 -14.429 1.427 340 H SER 50 H SER 50 6.354 -18.558 -3.678 341 HA SER 50 HA SER 50 9.016 -18.716 -4.881 342 HB2 SER 50 HB2 SER 50 6.852 -20.652 -4.307 343 HB3 SER 50 HB3 SER 50 7.749 -20.926 -5.800 344 HG SER 50 HG SER 50 8.557 -21.183 -3.177 345 H GLN 51 H GLN 51 5.869 -19.655 -6.218 346 HA GLN 51 HA GLN 51 6.445 -17.960 -8.557 347 HB2 GLN 51 HB2 GLN 51 5.613 -20.813 -8.385 348 HB3 GLN 51 HB3 GLN 51 4.954 -19.848 -9.698 349 HG2 GLN 51 HG2 GLN 51 7.457 -19.183 -10.062 350 HG3 GLN 51 HG3 GLN 51 7.763 -20.678 -9.179 351 HE21 GLN 51 HE21 GLN 51 6.224 -19.307 -12.016 352 HE22 GLN 51 HE22 GLN 51 6.227 -20.758 -12.953 353 H HIS 52 H HIS 52 3.759 -19.800 -7.093 354 HA HIS 52 HA HIS 52 1.796 -17.976 -8.115 355 HB2 HIS 52 HB2 HIS 52 0.214 -19.325 -6.715 356 HB3 HIS 52 HB3 HIS 52 1.162 -20.279 -7.852 357 HD1 HIS 52 HD1 HIS 52 0.870 -19.528 -4.175 358 HD2 HIS 52 HD2 HIS 52 2.802 -22.189 -6.714 359 HE1 HIS 52 HE1 HIS 52 1.869 -21.284 -2.677 360 H CYS 53 H CYS 53 0.297 -16.759 -6.783 361 HA CYS 53 HA CYS 53 1.628 -15.645 -4.406 362 HB2 CYS 53 HB2 CYS 53 -0.110 -14.450 -6.526 363 HB3 CYS 53 HB3 CYS 53 -0.122 -13.736 -4.917 364 HA PRO 54 HA PRO 54 -1.622 -16.892 -1.739 365 HB2 PRO 54 HB2 PRO 54 -1.870 -14.751 -0.088 366 HB3 PRO 54 HB3 PRO 54 -0.489 -15.852 -0.032 367 HG2 PRO 54 HG2 PRO 54 -0.720 -13.168 -1.337 368 HG3 PRO 54 HG3 PRO 54 0.615 -13.834 -0.378 369 HD2 PRO 54 HD2 PRO 54 0.659 -13.763 -3.084 370 HD3 PRO 54 HD3 PRO 54 1.446 -15.052 -2.150 371 H CYS 55 H CYS 55 -3.814 -16.425 -1.003 372 HA CYS 55 HA CYS 55 -5.438 -15.375 -3.067 373 HB2 CYS 55 HB2 CYS 55 -6.143 -16.094 -0.214 374 HB3 CYS 55 HB3 CYS 55 -7.311 -15.769 -1.491 375 H GLY 56 H GLY 56 -6.151 -13.376 -3.436 376 HA2 GLY 56 HA2 GLY 56 -6.379 -11.475 -1.234 377 HA3 GLY 56 HA3 GLY 56 -5.240 -11.065 -2.508 378 H GLU 57 H GLU 57 -7.986 -12.842 -3.504 379 HA GLU 57 HA GLU 57 -9.323 -10.370 -4.382 380 HB2 GLU 57 HB2 GLU 57 -9.760 -11.310 -6.541 381 HB3 GLU 57 HB3 GLU 57 -8.038 -11.467 -6.230 382 HG2 GLU 57 HG2 GLU 57 -8.285 -13.796 -5.709 383 HG3 GLU 57 HG3 GLU 57 -10.040 -13.675 -5.823 384 H GLY 58 H GLY 58 -9.823 -12.207 -2.118 385 HA2 GLY 58 HA2 GLY 58 -11.942 -12.582 -1.120 386 HA3 GLY 58 HA3 GLY 58 -12.645 -12.717 -2.725 387 H LEU 59 H LEU 59 -9.711 -14.413 -2.188 388 HA LEU 59 HA LEU 59 -11.219 -16.938 -2.108 389 HB2 LEU 59 HB2 LEU 59 -8.373 -16.526 -3.000 390 HB3 LEU 59 HB3 LEU 59 -9.346 -17.985 -3.175 391 HG LEU 59 HG LEU 59 -10.230 -15.463 -4.508 392 HD11 LEU 59 HD11 LEU 59 -8.913 -16.047 -6.482 393 HD12 LEU 59 HD12 LEU 59 -8.129 -17.341 -5.578 394 HD13 LEU 59 HD13 LEU 59 -7.879 -15.661 -5.106 395 HD21 LEU 59 HD21 LEU 59 -11.437 -17.801 -4.339 396 HD22 LEU 59 HD22 LEU 59 -10.359 -18.196 -5.678 397 HD23 LEU 59 HD23 LEU 59 -11.488 -16.848 -5.822 398 H SER 60 H SER 60 -10.086 -18.762 -1.003 399 HA SER 60 HA SER 60 -8.344 -17.931 1.193 400 HB2 SER 60 HB2 SER 60 -10.880 -17.940 1.821 401 HB3 SER 60 HB3 SER 60 -10.691 -19.694 1.824 402 HG SER 60 HG SER 60 -8.822 -19.227 3.268 403 H CYS 61 H CYS 61 -6.717 -19.311 1.423 404 HA CYS 61 HA CYS 61 -6.333 -21.548 -0.177 405 HB2 CYS 61 HB2 CYS 61 -5.030 -20.457 2.263 406 HB3 CYS 61 HB3 CYS 61 -4.671 -22.128 1.842 407 H THR 62 H THR 62 -7.804 -23.154 -0.194 408 HA THR 62 HA THR 62 -8.415 -24.461 2.377 409 HB THR 62 HB THR 62 -10.391 -23.397 1.272 410 HG1 THR 62 HG1 THR 62 -11.613 -25.506 1.295 411 HG21 THR 62 HG21 THR 62 -11.321 -24.407 -0.731 412 HG22 THR 62 HG22 THR 62 -9.969 -25.538 -0.817 413 HG23 THR 62 HG23 THR 62 -9.694 -23.813 -1.061 414 H LYS 63 H LYS 63 -8.186 -26.648 2.534 415 HA LYS 63 HA LYS 63 -6.462 -27.935 0.672 416 HB2 LYS 63 HB2 LYS 63 -6.888 -28.311 3.271 417 HB3 LYS 63 HB3 LYS 63 -8.007 -29.525 2.663 418 HG2 LYS 63 HG2 LYS 63 -6.326 -30.935 2.397 419 HG3 LYS 63 HG3 LYS 63 -5.572 -29.825 1.251 420 HD2 LYS 63 HD2 LYS 63 -4.275 -28.807 2.915 421 HD3 LYS 63 HD3 LYS 63 -5.281 -29.449 4.215 422 HE2 LYS 63 HE2 LYS 63 -4.428 -31.640 3.910 423 HE3 LYS 63 HE3 LYS 63 -3.661 -31.204 2.384 424 HZ1 LYS 63 HZ1 LYS 63 -2.095 -29.845 3.539 425 HZ2 LYS 63 HZ2 LYS 63 -2.102 -31.366 4.277 426 HZ3 LYS 63 HZ3 LYS 63 -2.892 -30.066 5.015 427 H VAL 64 H VAL 64 -6.949 -29.048 -1.100 428 HA VAL 64 HA VAL 64 -9.690 -30.087 -1.400 429 HB VAL 64 HB VAL 64 -9.536 -29.616 -3.824 430 HG11 VAL 64 HG11 VAL 64 -9.601 -27.046 -3.549 431 HG12 VAL 64 HG12 VAL 64 -10.790 -28.025 -2.688 432 HG13 VAL 64 HG13 VAL 64 -9.386 -27.385 -1.832 433 HG21 VAL 64 HG21 VAL 64 -7.793 -28.412 -4.798 434 HG22 VAL 64 HG22 VAL 64 -7.178 -27.857 -3.241 435 HG23 VAL 64 HG23 VAL 64 -6.967 -29.540 -3.724 436 H GLY 65 H GLY 65 -6.807 -31.131 -0.758 437 HA2 GLY 65 HA2 GLY 65 -7.188 -33.702 -1.892 438 HA3 GLY 65 HA3 GLY 65 -5.945 -32.832 -2.781 439 H GLU 66 H GLU 66 -4.627 -34.678 -1.998 440 HA GLU 66 HA GLU 66 -3.347 -33.937 0.523 441 HB2 GLU 66 HB2 GLU 66 -3.159 -36.552 0.869 442 HB3 GLU 66 HB3 GLU 66 -4.547 -35.649 1.461 443 HG2 GLU 66 HG2 GLU 66 -5.947 -36.460 -0.181 444 HG3 GLU 66 HG3 GLU 66 -4.617 -36.852 -1.268 445 HA PRO 67 HA PRO 67 -1.833 -35.444 1.777 446 HB2 PRO 67 HB2 PRO 67 0.613 -34.502 2.482 447 HB3 PRO 67 HB3 PRO 67 0.326 -36.188 2.037 448 HG2 PRO 67 HG2 PRO 67 1.433 -33.955 0.380 449 HG3 PRO 67 HG3 PRO 67 1.977 -35.638 0.495 450 HD2 PRO 67 HD2 PRO 67 0.451 -34.737 -1.551 451 HD3 PRO 67 HD3 PRO 67 0.337 -36.398 -0.935 452 H ASN 68 H ASN 68 -0.076 -32.738 0.249 453 HA ASN 68 HA ASN 68 -1.766 -30.890 1.799 454 HB2 ASN 68 HB2 ASN 68 0.612 -30.994 2.610 455 HB3 ASN 68 HB3 ASN 68 1.116 -30.387 1.036 456 HD21 ASN 68 HD21 ASN 68 0.717 -28.262 0.492 457 HD22 ASN 68 HD22 ASN 68 0.230 -27.080 1.655 458 H LYS 69 H LYS 69 -3.110 -31.039 -0.166 459 HA LYS 69 HA LYS 69 -2.032 -29.548 -2.452 460 HB2 LYS 69 HB2 LYS 69 -3.091 -31.724 -2.926 461 HB3 LYS 69 HB3 LYS 69 -4.591 -31.143 -2.213 462 HG2 LYS 69 HG2 LYS 69 -4.909 -29.564 -3.953 463 HG3 LYS 69 HG3 LYS 69 -3.280 -29.831 -4.579 464 HD2 LYS 69 HD2 LYS 69 -3.859 -32.080 -5.242 465 HD3 LYS 69 HD3 LYS 69 -5.453 -31.923 -4.501 466 HE2 LYS 69 HE2 LYS 69 -6.008 -30.139 -6.083 467 HE3 LYS 69 HE3 LYS 69 -4.415 -30.297 -6.821 468 HZ1 LYS 69 HZ1 LYS 69 -6.300 -32.571 -6.666 469 HZ2 LYS 69 HZ2 LYS 69 -4.938 -32.404 -7.655 470 HZ3 LYS 69 HZ3 LYS 69 -6.321 -31.478 -7.957 471 H LEU 70 H LEU 70 -2.133 -27.542 -1.215 472 HA LEU 70 HA LEU 70 -4.718 -26.517 -0.458 473 HB2 LEU 70 HB2 LEU 70 -2.108 -25.960 0.248 474 HB3 LEU 70 HB3 LEU 70 -2.582 -24.559 -0.709 475 HG LEU 70 HG LEU 70 -4.471 -24.170 0.800 476 HD11 LEU 70 HD11 LEU 70 -3.968 -26.837 1.583 477 HD12 LEU 70 HD12 LEU 70 -5.244 -25.754 2.140 478 HD13 LEU 70 HD13 LEU 70 -3.701 -25.814 2.995 479 HD21 LEU 70 HD21 LEU 70 -3.063 -23.704 2.888 480 HD22 LEU 70 HD22 LEU 70 -2.573 -22.935 1.378 481 HD23 LEU 70 HD23 LEU 70 -1.711 -24.359 1.963 482 H ARG 71 H ARG 71 -5.991 -25.114 -1.554 483 HA ARG 71 HA ARG 71 -4.997 -23.880 -4.005 484 HB2 ARG 71 HB2 ARG 71 -7.460 -25.633 -3.926 485 HB3 ARG 71 HB3 ARG 71 -6.950 -24.656 -5.296 486 HG2 ARG 71 HG2 ARG 71 -5.255 -26.836 -4.111 487 HG3 ARG 71 HG3 ARG 71 -6.396 -27.099 -5.431 488 HD2 ARG 71 HD2 ARG 71 -5.155 -25.870 -6.929 489 HD3 ARG 71 HD3 ARG 71 -4.388 -24.909 -5.665 490 HE ARG 71 HE ARG 71 -3.404 -27.377 -5.215 491 HH11 ARG 71 HH11 ARG 71 -3.628 -25.402 -8.073 492 HH12 ARG 71 HH12 ARG 71 -2.197 -26.060 -8.797 493 HH21 ARG 71 HH21 ARG 71 -1.519 -28.250 -6.158 494 HH22 ARG 71 HH22 ARG 71 -1.000 -27.680 -7.708 495 H CYS 72 H CYS 72 -6.308 -22.133 -4.763 496 HA CYS 72 HA CYS 72 -7.528 -20.662 -2.631 497 HB2 CYS 72 HB2 CYS 72 -6.736 -20.148 -5.426 498 HB3 CYS 72 HB3 CYS 72 -8.118 -19.216 -4.858 499 H GLN 73 H GLN 73 -9.633 -20.365 -2.175 500 HA GLN 73 HA GLN 73 -11.654 -21.235 -4.101 501 HB2 GLN 73 HB2 GLN 73 -11.116 -23.130 -2.523 502 HB3 GLN 73 HB3 GLN 73 -11.723 -22.123 -1.216 503 HG2 GLN 73 HG2 GLN 73 -13.326 -23.819 -2.156 504 HG3 GLN 73 HG3 GLN 73 -13.914 -22.160 -2.064 505 HE21 GLN 73 HE21 GLN 73 -11.770 -23.679 -4.425 506 HE22 GLN 73 HE22 GLN 73 -12.782 -23.394 -5.795 507 H GLU 74 H GLU 74 -13.473 -20.018 -4.090 508 HA GLU 74 HA GLU 74 -13.507 -17.486 -3.005 509 HB2 GLU 74 HB2 GLU 74 -15.777 -19.270 -3.875 510 HB3 GLU 74 HB3 GLU 74 -16.024 -17.601 -3.380 511 HG2 GLU 74 HG2 GLU 74 -14.306 -16.994 -5.160 512 HG3 GLU 74 HG3 GLU 74 -14.517 -18.641 -5.753 513 H GLU 75 H GLU 75 -13.551 -16.834 -0.967 514 HA GLU 75 HA GLU 75 -14.414 -18.570 1.155 515 HB2 GLU 75 HB2 GLU 75 -12.489 -16.903 1.259 516 HB3 GLU 75 HB3 GLU 75 -13.713 -15.649 1.402 517 HG2 GLU 75 HG2 GLU 75 -12.728 -16.408 3.559 518 HG3 GLU 75 HG3 GLU 75 -14.486 -16.516 3.469 519 H SER 76 H SER 76 -16.001 -17.957 2.776 520 HA SER 76 HA SER 76 -18.329 -16.686 1.526 521 HB2 SER 76 HB2 SER 76 -18.451 -19.043 2.489 522 HB3 SER 76 HB3 SER 76 -18.312 -18.297 4.081 523 HG SER 76 HG SER 76 -20.300 -17.607 2.180 Start of MODEL 3 1 H1 SER 1 H SER 1 2.998 0.787 -0.484 2 HA SER 1 HA SER 1 1.463 -0.556 -2.569 3 HB2 SER 1 HB2 SER 1 3.874 1.083 -3.338 4 HB3 SER 1 HB3 SER 1 2.659 0.362 -4.393 5 HG SER 1 HG SER 1 2.678 2.795 -3.339 6 H VAL 2 H VAL 2 2.763 -2.147 -3.761 7 HA VAL 2 HA VAL 2 4.377 -3.678 -1.989 8 HB VAL 2 HB VAL 2 4.000 -4.033 -4.966 9 HG11 VAL 2 HG11 VAL 2 5.642 -5.394 -3.059 10 HG12 VAL 2 HG12 VAL 2 4.389 -6.489 -3.646 11 HG13 VAL 2 HG13 VAL 2 5.468 -5.688 -4.789 12 HG21 VAL 2 HG21 VAL 2 2.204 -5.519 -4.459 13 HG22 VAL 2 HG22 VAL 2 2.518 -5.403 -2.728 14 HG23 VAL 2 HG23 VAL 2 1.894 -4.007 -3.606 15 H THR 3 H THR 3 6.535 -3.834 -1.793 16 HA THR 3 HA THR 3 8.278 -2.687 -3.830 17 HB THR 3 HB THR 3 8.593 -1.850 -0.947 18 HG1 THR 3 HG1 THR 3 7.717 0.156 -1.634 19 HG21 THR 3 HG21 THR 3 10.664 -1.650 -2.017 20 HG22 THR 3 HG22 THR 3 9.968 -0.035 -2.156 21 HG23 THR 3 HG23 THR 3 9.934 -1.132 -3.536 22 H CYS 4 H CYS 4 9.562 -4.355 -4.278 23 HA CYS 4 HA CYS 4 11.071 -5.584 -2.110 24 HB2 CYS 4 HB2 CYS 4 9.331 -7.126 -4.036 25 HB3 CYS 4 HB3 CYS 4 10.640 -7.870 -3.123 26 H GLY 5 H GLY 5 13.134 -6.033 -2.665 27 HA2 GLY 5 HA2 GLY 5 14.985 -6.413 -4.005 28 HA3 GLY 5 HA3 GLY 5 13.915 -6.506 -5.395 29 H GLY 6 H GLY 6 13.621 -3.727 -3.389 30 HA2 GLY 6 HA2 GLY 6 14.381 -1.554 -3.620 31 HA3 GLY 6 HA3 GLY 6 15.573 -2.133 -4.773 32 H LYS 7 H LYS 7 12.259 -2.945 -5.294 33 HA LYS 7 HA LYS 7 11.869 -0.710 -7.134 34 HB2 LYS 7 HB2 LYS 7 12.164 -3.573 -7.910 35 HB3 LYS 7 HB3 LYS 7 10.962 -2.611 -8.760 36 HG2 LYS 7 HG2 LYS 7 13.619 -1.376 -8.504 37 HG3 LYS 7 HG3 LYS 7 13.538 -2.823 -9.511 38 HD2 LYS 7 HD2 LYS 7 13.018 -1.275 -11.095 39 HD3 LYS 7 HD3 LYS 7 11.395 -1.555 -10.459 40 HE2 LYS 7 HE2 LYS 7 11.703 0.800 -10.609 41 HE3 LYS 7 HE3 LYS 7 11.773 0.370 -8.901 42 HZ1 LYS 7 HZ1 LYS 7 14.055 0.694 -8.830 43 HZ2 LYS 7 HZ2 LYS 7 13.526 1.964 -9.814 44 HZ3 LYS 7 HZ3 LYS 7 14.237 0.595 -10.509 45 H GLN 8 H GLN 8 9.788 -0.056 -7.276 46 HA GLN 8 HA GLN 8 7.853 -1.452 -5.598 47 HB2 GLN 8 HB2 GLN 8 8.092 1.314 -6.697 48 HB3 GLN 8 HB3 GLN 8 6.493 0.711 -6.284 49 HG2 GLN 8 HG2 GLN 8 6.927 0.674 -4.050 50 HG3 GLN 8 HG3 GLN 8 8.656 0.412 -4.277 51 HE21 GLN 8 HE21 GLN 8 10.004 2.160 -4.593 52 HE22 GLN 8 HE22 GLN 8 9.502 3.789 -4.310 53 H CYS 9 H CYS 9 5.900 -2.235 -6.318 54 HA CYS 9 HA CYS 9 5.420 -2.168 -9.219 55 HB2 CYS 9 HB2 CYS 9 5.712 -4.525 -7.426 56 HB3 CYS 9 HB3 CYS 9 4.466 -4.606 -8.667 57 H LYS 10 H LYS 10 3.145 -2.975 -9.728 58 HA LYS 10 HA LYS 10 1.270 -1.315 -8.505 59 HB2 LYS 10 HB2 LYS 10 1.173 -3.566 -10.429 60 HB3 LYS 10 HB3 LYS 10 -0.332 -3.185 -9.604 61 HG2 LYS 10 HG2 LYS 10 -0.382 -1.955 -11.597 62 HG3 LYS 10 HG3 LYS 10 0.038 -0.787 -10.341 63 HD2 LYS 10 HD2 LYS 10 2.183 -0.539 -11.099 64 HD3 LYS 10 HD3 LYS 10 2.253 -2.174 -11.761 65 HE2 LYS 10 HE2 LYS 10 0.883 -1.531 -13.630 66 HE3 LYS 10 HE3 LYS 10 0.606 0.064 -12.932 67 HZ1 LYS 10 HZ1 LYS 10 2.645 -0.698 -14.648 68 HZ2 LYS 10 HZ2 LYS 10 3.379 -0.416 -13.150 69 HZ3 LYS 10 HZ3 LYS 10 2.453 0.797 -13.879 70 HA PRO 11 HA PRO 11 -0.186 -3.396 -4.928 71 HB2 PRO 11 HB2 PRO 11 -2.862 -2.949 -5.035 72 HB3 PRO 11 HB3 PRO 11 -1.691 -1.681 -4.655 73 HG2 PRO 11 HG2 PRO 11 -3.052 -2.286 -7.251 74 HG3 PRO 11 HG3 PRO 11 -2.755 -0.716 -6.484 75 HD2 PRO 11 HD2 PRO 11 -1.217 -1.667 -8.499 76 HD3 PRO 11 HD3 PRO 11 -0.569 -0.635 -7.208 77 H ASN 12 H ASN 12 -1.911 -4.996 -4.149 78 HA ASN 12 HA ASN 12 -2.764 -7.103 -4.229 79 HB2 ASN 12 HB2 ASN 12 -3.419 -6.231 -7.049 80 HB3 ASN 12 HB3 ASN 12 -4.008 -7.723 -6.321 81 HD21 ASN 12 HD21 ASN 12 -4.135 -4.239 -6.220 82 HD22 ASN 12 HD22 ASN 12 -5.601 -4.124 -5.313 83 H SER 13 H SER 13 0.017 -6.812 -4.696 84 HA SER 13 HA SER 13 0.502 -9.286 -6.182 85 HB2 SER 13 HB2 SER 13 1.943 -6.669 -6.642 86 HB3 SER 13 HB3 SER 13 2.578 -8.226 -7.173 87 HG SER 13 HG SER 13 0.785 -6.677 -8.380 88 H CYS 14 H CYS 14 1.746 -10.644 -5.073 89 HA CYS 14 HA CYS 14 3.015 -9.705 -2.627 90 HB2 CYS 14 HB2 CYS 14 3.152 -11.995 -1.982 91 HB3 CYS 14 HB3 CYS 14 1.569 -11.778 -2.721 92 H CYS 15 H CYS 15 5.182 -10.707 -2.072 93 HA CYS 15 HA CYS 15 7.004 -10.163 -4.278 94 HB2 CYS 15 HB2 CYS 15 7.690 -10.764 -1.396 95 HB3 CYS 15 HB3 CYS 15 8.733 -10.028 -2.609 96 H VAL 16 H VAL 16 8.013 -11.687 -5.406 97 HA VAL 16 HA VAL 16 8.127 -14.414 -4.289 98 HB VAL 16 HB VAL 16 8.056 -15.200 -6.694 99 HG11 VAL 16 HG11 VAL 16 5.967 -15.726 -6.163 100 HG12 VAL 16 HG12 VAL 16 5.979 -14.479 -4.914 101 HG13 VAL 16 HG13 VAL 16 5.438 -14.089 -6.548 102 HG21 VAL 16 HG21 VAL 16 8.574 -12.943 -7.644 103 HG22 VAL 16 HG22 VAL 16 7.191 -13.749 -8.383 104 HG23 VAL 16 HG23 VAL 16 6.936 -12.452 -7.217 105 H GLN 17 H GLN 17 9.921 -15.720 -4.964 106 HA GLN 17 HA GLN 17 12.281 -14.104 -5.650 107 HB2 GLN 17 HB2 GLN 17 12.031 -15.489 -3.427 108 HB3 GLN 17 HB3 GLN 17 12.482 -16.840 -4.458 109 HG2 GLN 17 HG2 GLN 17 14.559 -16.266 -3.843 110 HG3 GLN 17 HG3 GLN 17 14.394 -15.087 -5.144 111 HE21 GLN 17 HE21 GLN 17 14.754 -13.041 -4.659 112 HE22 GLN 17 HE22 GLN 17 14.775 -12.365 -3.069 113 H ASN 18 H ASN 18 13.415 -14.531 -7.444 114 HA ASN 18 HA ASN 18 12.615 -16.881 -9.027 115 HB2 ASN 18 HB2 ASN 18 13.741 -14.218 -9.920 116 HB3 ASN 18 HB3 ASN 18 13.446 -15.583 -10.994 117 HD21 ASN 18 HD21 ASN 18 11.067 -16.530 -10.190 118 HD22 ASN 18 HD22 ASN 18 9.833 -15.337 -10.398 119 H SER 19 H SER 19 15.266 -15.203 -7.558 120 HA SER 19 HA SER 19 17.452 -16.197 -8.920 121 HB2 SER 19 HB2 SER 19 17.093 -15.601 -5.979 122 HB3 SER 19 HB3 SER 19 18.653 -16.014 -6.692 123 HG SER 19 HG SER 19 18.789 -14.061 -7.440 124 H HIS 20 H HIS 20 18.094 -18.191 -9.347 125 HA HIS 20 HA HIS 20 17.160 -20.385 -7.638 126 HB2 HIS 20 HB2 HIS 20 18.050 -20.224 -10.499 127 HB3 HIS 20 HB3 HIS 20 18.082 -21.766 -9.649 128 HD1 HIS 20 HD1 HIS 20 15.815 -19.392 -11.321 129 HD2 HIS 20 HD2 HIS 20 15.495 -22.718 -8.853 130 HE1 HIS 20 HE1 HIS 20 13.417 -20.127 -11.493 131 H GLY 21 H GLY 21 19.408 -18.604 -6.960 132 HA2 GLY 21 HA2 GLY 21 21.246 -19.281 -5.592 133 HA3 GLY 21 HA3 GLY 21 21.421 -20.714 -6.594 134 H LYS 22 H LYS 22 20.929 -17.667 -8.144 135 HA LYS 22 HA LYS 22 23.376 -17.873 -9.577 136 HB2 LYS 22 HB2 LYS 22 21.227 -16.801 -10.390 137 HB3 LYS 22 HB3 LYS 22 21.621 -15.426 -9.367 138 HG2 LYS 22 HG2 LYS 22 23.737 -15.154 -10.612 139 HG3 LYS 22 HG3 LYS 22 23.242 -16.468 -11.681 140 HD2 LYS 22 HD2 LYS 22 21.670 -13.929 -11.255 141 HD3 LYS 22 HD3 LYS 22 22.786 -14.199 -12.596 142 HE2 LYS 22 HE2 LYS 22 21.426 -16.188 -13.233 143 HE3 LYS 22 HE3 LYS 22 20.269 -15.744 -11.980 144 HZ1 LYS 22 HZ1 LYS 22 20.925 -14.292 -14.468 145 HZ2 LYS 22 HZ2 LYS 22 20.163 -13.517 -13.172 146 HZ3 LYS 22 HZ3 LYS 22 19.415 -14.831 -13.930 147 H GLY 23 H GLY 23 22.427 -16.290 -6.641 148 HA2 GLY 23 HA2 GLY 23 24.160 -15.711 -5.055 149 HA3 GLY 23 HA3 GLY 23 25.163 -15.215 -6.410 150 H LYS 24 H LYS 24 22.269 -14.097 -7.270 151 HA LYS 24 HA LYS 24 22.597 -11.559 -5.807 152 HB2 LYS 24 HB2 LYS 24 22.126 -12.072 -8.727 153 HB3 LYS 24 HB3 LYS 24 21.604 -10.562 -7.993 154 HG2 LYS 24 HG2 LYS 24 23.780 -9.887 -7.533 155 HG3 LYS 24 HG3 LYS 24 24.421 -11.524 -7.684 156 HD2 LYS 24 HD2 LYS 24 23.150 -10.197 -10.043 157 HD3 LYS 24 HD3 LYS 24 24.809 -9.792 -9.594 158 HE2 LYS 24 HE2 LYS 24 23.855 -12.617 -10.012 159 HE3 LYS 24 HE3 LYS 24 24.542 -11.631 -11.304 160 HZ1 LYS 24 HZ1 LYS 24 25.850 -12.830 -8.980 161 HZ2 LYS 24 HZ2 LYS 24 26.435 -11.336 -9.518 162 HZ3 LYS 24 HZ3 LYS 24 26.410 -12.662 -10.569 163 H ASP 25 H ASP 25 20.988 -12.035 -4.307 164 HA ASP 25 HA ASP 25 18.451 -13.057 -4.878 165 HB2 ASP 25 HB2 ASP 25 19.083 -11.095 -2.670 166 HB3 ASP 25 HB3 ASP 25 17.803 -12.305 -2.694 167 H SER 26 H SER 26 17.301 -12.175 -6.509 168 HA SER 26 HA SER 26 16.480 -9.373 -6.184 169 HB2 SER 26 HB2 SER 26 16.527 -9.142 -8.685 170 HB3 SER 26 HB3 SER 26 18.120 -9.318 -7.948 171 HG SER 26 HG SER 26 16.605 -11.311 -9.283 172 HA PRO 27 HA PRO 27 12.768 -12.061 -6.486 173 HB2 PRO 27 HB2 PRO 27 11.296 -10.574 -4.756 174 HB3 PRO 27 HB3 PRO 27 12.423 -11.828 -4.226 175 HG2 PRO 27 HG2 PRO 27 12.809 -8.863 -4.340 176 HG3 PRO 27 HG3 PRO 27 13.275 -10.003 -3.065 177 HD2 PRO 27 HD2 PRO 27 15.040 -9.050 -4.883 178 HD3 PRO 27 HD3 PRO 27 15.171 -10.678 -4.187 179 H ARG 28 H ARG 28 10.555 -11.507 -7.151 180 HA ARG 28 HA ARG 28 10.354 -8.892 -8.482 181 HB2 ARG 28 HB2 ARG 28 10.937 -10.983 -9.965 182 HB3 ARG 28 HB3 ARG 28 9.221 -11.332 -9.794 183 HG2 ARG 28 HG2 ARG 28 8.596 -9.368 -10.909 184 HG3 ARG 28 HG3 ARG 28 10.204 -8.664 -10.745 185 HD2 ARG 28 HD2 ARG 28 9.673 -9.500 -13.036 186 HD3 ARG 28 HD3 ARG 28 11.119 -10.208 -12.319 187 HE ARG 28 HE ARG 28 9.002 -11.899 -11.722 188 HH11 ARG 28 HH11 ARG 28 10.667 -10.731 -14.546 189 HH12 ARG 28 HH12 ARG 28 10.357 -12.158 -15.480 190 HH21 ARG 28 HH21 ARG 28 8.586 -13.783 -12.940 191 HH22 ARG 28 HH22 ARG 28 9.172 -13.892 -14.565 192 H CYS 29 H CYS 29 8.030 -8.511 -9.249 193 HA CYS 29 HA CYS 29 6.249 -9.223 -7.032 194 HB2 CYS 29 HB2 CYS 29 4.873 -7.316 -7.808 195 HB3 CYS 29 HB3 CYS 29 6.520 -6.838 -7.413 196 H HIS 30 H HIS 30 4.522 -10.490 -7.304 197 HA HIS 30 HA HIS 30 3.684 -11.122 -10.058 198 HB2 HIS 30 HB2 HIS 30 4.706 -12.881 -8.052 199 HB3 HIS 30 HB3 HIS 30 3.016 -13.285 -8.336 200 HD1 HIS 30 HD1 HIS 30 5.680 -12.228 -10.837 201 HD2 HIS 30 HD2 HIS 30 3.140 -15.411 -10.010 202 HE1 HIS 30 HE1 HIS 30 5.986 -13.845 -12.739 203 HA PRO 31 HA PRO 31 -0.385 -9.956 -8.882 204 HB2 PRO 31 HB2 PRO 31 -1.840 -11.512 -10.565 205 HB3 PRO 31 HB3 PRO 31 -0.924 -10.102 -11.111 206 HG2 PRO 31 HG2 PRO 31 -0.189 -13.000 -11.234 207 HG3 PRO 31 HG3 PRO 31 0.012 -11.742 -12.467 208 HD2 PRO 31 HD2 PRO 31 2.049 -12.573 -10.889 209 HD3 PRO 31 HD3 PRO 31 1.920 -10.905 -11.483 210 H LEU 32 H LEU 32 -1.982 -10.557 -7.489 211 HA LEU 32 HA LEU 32 -1.656 -12.732 -5.805 212 HB2 LEU 32 HB2 LEU 32 -3.985 -10.959 -6.422 213 HB3 LEU 32 HB3 LEU 32 -4.166 -12.315 -5.309 214 HG LEU 32 HG LEU 32 -2.137 -10.119 -4.932 215 HD11 LEU 32 HD11 LEU 32 -5.018 -10.177 -4.387 216 HD12 LEU 32 HD12 LEU 32 -3.913 -8.811 -4.527 217 HD13 LEU 32 HD13 LEU 32 -4.013 -9.711 -3.015 218 HD21 LEU 32 HD21 LEU 32 -1.676 -11.057 -2.897 219 HD22 LEU 32 HD22 LEU 32 -2.045 -12.509 -3.829 220 HD23 LEU 32 HD23 LEU 32 -3.264 -11.813 -2.760 221 H GLY 33 H GLY 33 -2.805 -14.695 -5.546 222 HA2 GLY 33 HA2 GLY 33 -3.218 -16.134 -7.951 223 HA3 GLY 33 HA3 GLY 33 -3.597 -16.704 -6.332 224 H LYS 34 H LYS 34 -5.155 -17.239 -8.626 225 HA LYS 34 HA LYS 34 -7.570 -15.632 -8.116 226 HB2 LYS 34 HB2 LYS 34 -8.330 -16.210 -10.322 227 HB3 LYS 34 HB3 LYS 34 -6.686 -15.597 -10.447 228 HG2 LYS 34 HG2 LYS 34 -5.811 -17.795 -10.744 229 HG3 LYS 34 HG3 LYS 34 -7.375 -18.525 -10.374 230 HD2 LYS 34 HD2 LYS 34 -7.476 -18.611 -12.647 231 HD3 LYS 34 HD3 LYS 34 -8.133 -16.990 -12.408 232 HE2 LYS 34 HE2 LYS 34 -6.546 -16.620 -14.041 233 HE3 LYS 34 HE3 LYS 34 -5.644 -16.250 -12.573 234 HZ1 LYS 34 HZ1 LYS 34 -5.585 -18.879 -13.949 235 HZ2 LYS 34 HZ2 LYS 34 -4.626 -18.397 -12.644 236 HZ3 LYS 34 HZ3 LYS 34 -4.421 -17.670 -14.157 237 H LEU 35 H LEU 35 -9.559 -17.159 -8.977 238 HA LEU 35 HA LEU 35 -9.852 -19.100 -6.920 239 HB2 LEU 35 HB2 LEU 35 -11.790 -17.934 -7.607 240 HB3 LEU 35 HB3 LEU 35 -11.524 -18.347 -9.300 241 HG LEU 35 HG LEU 35 -12.103 -20.672 -8.832 242 HD11 LEU 35 HD11 LEU 35 -11.944 -21.481 -6.777 243 HD12 LEU 35 HD12 LEU 35 -13.314 -20.481 -6.295 244 HD13 LEU 35 HD13 LEU 35 -11.671 -19.863 -6.130 245 HD21 LEU 35 HD21 LEU 35 -13.923 -19.358 -9.543 246 HD22 LEU 35 HD22 LEU 35 -14.063 -18.559 -7.977 247 HD23 LEU 35 HD23 LEU 35 -14.510 -20.258 -8.145 248 H ASN 36 H ASN 36 -9.934 -21.327 -7.031 249 HA ASN 36 HA ASN 36 -9.331 -23.409 -7.718 250 HB2 ASN 36 HB2 ASN 36 -10.324 -22.176 -10.270 251 HB3 ASN 36 HB3 ASN 36 -9.647 -23.801 -10.272 252 HD21 ASN 36 HD21 ASN 36 -12.439 -22.349 -10.400 253 HD22 ASN 36 HD22 ASN 36 -13.430 -23.405 -9.458 254 H ASN 37 H ASN 37 -7.252 -21.539 -7.387 255 HA ASN 37 HA ASN 37 -5.304 -22.571 -9.337 256 HB2 ASN 37 HB2 ASN 37 -5.984 -19.811 -8.750 257 HB3 ASN 37 HB3 ASN 37 -4.280 -20.128 -8.445 258 HD21 ASN 37 HD21 ASN 37 -6.772 -20.823 -10.871 259 HD22 ASN 37 HD22 ASN 37 -5.750 -20.571 -12.241 260 HA PRO 38 HA PRO 38 -2.818 -23.829 -5.948 261 HB2 PRO 38 HB2 PRO 38 -0.308 -23.321 -6.851 262 HB3 PRO 38 HB3 PRO 38 -1.309 -24.635 -7.481 263 HG2 PRO 38 HG2 PRO 38 -0.817 -21.914 -8.626 264 HG3 PRO 38 HG3 PRO 38 -0.867 -23.483 -9.451 265 HD2 PRO 38 HD2 PRO 38 -2.951 -21.755 -9.480 266 HD3 PRO 38 HD3 PRO 38 -3.170 -23.516 -9.519 267 H CYS 39 H CYS 39 -2.610 -22.839 -4.050 268 HA CYS 39 HA CYS 39 -1.080 -20.353 -3.886 269 HB2 CYS 39 HB2 CYS 39 -2.735 -19.219 -2.570 270 HB3 CYS 39 HB3 CYS 39 -3.518 -19.777 -4.045 271 H GLU 40 H GLU 40 -0.680 -19.766 -1.528 272 HA GLU 40 HA GLU 40 -0.440 -22.196 0.114 273 HB2 GLU 40 HB2 GLU 40 1.701 -21.158 -1.098 274 HB3 GLU 40 HB3 GLU 40 1.677 -20.117 0.320 275 HG2 GLU 40 HG2 GLU 40 3.077 -21.840 0.955 276 HG3 GLU 40 HG3 GLU 40 1.529 -22.303 1.662 277 H VAL 41 H VAL 41 -0.603 -21.926 2.343 278 HA VAL 41 HA VAL 41 -2.377 -20.037 3.299 279 HB VAL 41 HB VAL 41 -0.247 -21.437 4.921 280 HG11 VAL 41 HG11 VAL 41 -1.143 -19.836 6.341 281 HG12 VAL 41 HG12 VAL 41 -2.753 -19.962 5.631 282 HG13 VAL 41 HG13 VAL 41 -2.142 -21.250 6.671 283 HG21 VAL 41 HG21 VAL 41 -1.364 -23.177 3.866 284 HG22 VAL 41 HG22 VAL 41 -2.256 -23.002 5.377 285 HG23 VAL 41 HG23 VAL 41 -2.910 -22.331 3.885 286 H GLU 42 H GLU 42 1.106 -20.094 4.086 287 HA GLU 42 HA GLU 42 1.139 -17.170 3.932 288 HB2 GLU 42 HB2 GLU 42 1.917 -18.829 6.320 289 HB3 GLU 42 HB3 GLU 42 2.580 -17.221 6.061 290 HG2 GLU 42 HG2 GLU 42 0.177 -16.417 5.922 291 HG3 GLU 42 HG3 GLU 42 -0.273 -17.999 6.559 292 HA PRO 43 HA PRO 43 5.029 -17.673 1.970 293 HB2 PRO 43 HB2 PRO 43 6.360 -15.459 2.803 294 HB3 PRO 43 HB3 PRO 43 5.032 -15.400 1.638 295 HG2 PRO 43 HG2 PRO 43 4.999 -14.839 4.579 296 HG3 PRO 43 HG3 PRO 43 4.213 -13.949 3.260 297 HD2 PRO 43 HD2 PRO 43 2.874 -15.694 4.841 298 HD3 PRO 43 HD3 PRO 43 2.457 -15.437 3.135 299 H ASN 44 H ASN 44 7.536 -17.133 2.627 300 HA ASN 44 HA ASN 44 8.163 -19.117 4.586 301 HB2 ASN 44 HB2 ASN 44 10.217 -17.227 3.502 302 HB3 ASN 44 HB3 ASN 44 10.358 -18.948 3.851 303 HD21 ASN 44 HD21 ASN 44 10.904 -17.264 1.428 304 HD22 ASN 44 HD22 ASN 44 10.066 -18.067 0.148 305 H GLU 45 H GLU 45 10.367 -18.207 5.903 306 HA GLU 45 HA GLU 45 9.224 -16.772 8.063 307 HB2 GLU 45 HB2 GLU 45 11.417 -16.890 9.082 308 HB3 GLU 45 HB3 GLU 45 11.038 -18.432 8.327 309 HG2 GLU 45 HG2 GLU 45 12.390 -17.695 6.353 310 HG3 GLU 45 HG3 GLU 45 12.899 -16.304 7.310 311 H ASN 46 H ASN 46 10.653 -15.770 5.148 312 HA ASN 46 HA ASN 46 11.368 -13.135 6.196 313 HB2 ASN 46 HB2 ASN 46 11.759 -14.350 3.451 314 HB3 ASN 46 HB3 ASN 46 12.298 -12.742 3.927 315 HD21 ASN 46 HD21 ASN 46 13.306 -13.159 6.406 316 HD22 ASN 46 HD22 ASN 46 14.667 -14.221 6.326 317 H GLY 47 H GLY 47 8.973 -14.747 4.251 318 HA2 GLY 47 HA2 GLY 47 6.777 -13.804 4.036 319 HA3 GLY 47 HA3 GLY 47 7.503 -12.204 4.070 320 H ILE 48 H ILE 48 8.740 -14.852 2.135 321 HA ILE 48 HA ILE 48 7.801 -13.446 -0.281 322 HB ILE 48 HB ILE 48 10.385 -14.988 -0.076 323 HG12 ILE 48 HG12 ILE 48 9.965 -11.992 0.029 324 HG13 ILE 48 HG13 ILE 48 10.443 -13.002 1.389 325 HG21 ILE 48 HG21 ILE 48 9.489 -14.862 -2.317 326 HG22 ILE 48 HG22 ILE 48 9.280 -13.117 -2.167 327 HG23 ILE 48 HG23 ILE 48 10.901 -13.813 -2.186 328 HD11 ILE 48 HD11 ILE 48 12.522 -12.451 0.820 329 HD12 ILE 48 HD12 ILE 48 12.329 -13.618 -0.489 330 HD13 ILE 48 HD13 ILE 48 12.036 -11.904 -0.784 331 H TYR 49 H TYR 49 7.222 -14.708 -2.065 332 HA TYR 49 HA TYR 49 6.602 -17.501 -1.397 333 HB2 TYR 49 HB2 TYR 49 5.332 -15.521 -3.275 334 HB3 TYR 49 HB3 TYR 49 5.020 -17.247 -3.417 335 HD1 TYR 49 HD1 TYR 49 4.659 -14.313 -1.199 336 HD2 TYR 49 HD2 TYR 49 3.551 -18.360 -1.913 337 HE1 TYR 49 HE1 TYR 49 2.913 -14.134 0.524 338 HE2 TYR 49 HE2 TYR 49 1.801 -18.190 -0.192 339 HH TYR 49 HH TYR 49 0.982 -16.934 1.482 340 H SER 50 H SER 50 6.262 -18.718 -3.710 341 HA SER 50 HA SER 50 8.948 -18.725 -4.863 342 HB2 SER 50 HB2 SER 50 6.841 -20.728 -4.440 343 HB3 SER 50 HB3 SER 50 7.632 -20.843 -6.013 344 HG SER 50 HG SER 50 8.657 -22.048 -4.280 345 H GLN 51 H GLN 51 5.830 -19.539 -6.352 346 HA GLN 51 HA GLN 51 6.475 -17.664 -8.532 347 HB2 GLN 51 HB2 GLN 51 5.640 -20.514 -8.603 348 HB3 GLN 51 HB3 GLN 51 4.961 -19.451 -9.829 349 HG2 GLN 51 HG2 GLN 51 7.485 -18.740 -10.111 350 HG3 GLN 51 HG3 GLN 51 7.762 -20.341 -9.426 351 HE21 GLN 51 HE21 GLN 51 8.487 -19.525 -12.031 352 HE22 GLN 51 HE22 GLN 51 7.591 -20.483 -13.155 353 H HIS 52 H HIS 52 3.735 -19.574 -7.270 354 HA HIS 52 HA HIS 52 1.814 -17.660 -8.191 355 HB2 HIS 52 HB2 HIS 52 1.399 -19.910 -6.215 356 HB3 HIS 52 HB3 HIS 52 0.160 -19.084 -7.155 357 HD1 HIS 52 HD1 HIS 52 0.344 -19.477 -9.831 358 HD2 HIS 52 HD2 HIS 52 2.437 -22.124 -7.409 359 HE1 HIS 52 HE1 HIS 52 0.853 -21.462 -11.288 360 H CYS 53 H CYS 53 0.210 -16.655 -6.707 361 HA CYS 53 HA CYS 53 1.543 -15.680 -4.267 362 HB2 CYS 53 HB2 CYS 53 -0.125 -14.297 -6.330 363 HB3 CYS 53 HB3 CYS 53 -0.156 -13.704 -4.672 364 HA PRO 54 HA PRO 54 -1.798 -17.066 -1.785 365 HB2 PRO 54 HB2 PRO 54 -2.051 -15.055 0.021 366 HB3 PRO 54 HB3 PRO 54 -0.692 -16.183 0.025 367 HG2 PRO 54 HG2 PRO 54 -0.840 -13.404 -1.073 368 HG3 PRO 54 HG3 PRO 54 0.457 -14.168 -0.136 369 HD2 PRO 54 HD2 PRO 54 0.572 -13.889 -2.827 370 HD3 PRO 54 HD3 PRO 54 1.312 -15.260 -1.976 371 H CYS 55 H CYS 55 -3.985 -16.516 -0.965 372 HA CYS 55 HA CYS 55 -5.559 -15.346 -3.013 373 HB2 CYS 55 HB2 CYS 55 -6.288 -16.197 -0.203 374 HB3 CYS 55 HB3 CYS 55 -7.454 -15.725 -1.436 375 H GLY 56 H GLY 56 -6.310 -13.331 -3.265 376 HA2 GLY 56 HA2 GLY 56 -6.495 -11.518 -1.004 377 HA3 GLY 56 HA3 GLY 56 -5.292 -11.087 -2.211 378 H GLU 57 H GLU 57 -8.103 -12.713 -3.332 379 HA GLU 57 HA GLU 57 -9.276 -10.153 -4.193 380 HB2 GLU 57 HB2 GLU 57 -9.720 -11.031 -6.377 381 HB3 GLU 57 HB3 GLU 57 -8.015 -11.287 -6.033 382 HG2 GLU 57 HG2 GLU 57 -8.390 -13.605 -5.572 383 HG3 GLU 57 HG3 GLU 57 -10.135 -13.392 -5.694 384 H GLY 58 H GLY 58 -9.918 -12.040 -1.985 385 HA2 GLY 58 HA2 GLY 58 -12.080 -12.298 -1.035 386 HA3 GLY 58 HA3 GLY 58 -12.756 -12.357 -2.657 387 H LEU 59 H LEU 59 -9.933 -14.230 -2.055 388 HA LEU 59 HA LEU 59 -11.583 -16.666 -2.102 389 HB2 LEU 59 HB2 LEU 59 -8.686 -16.365 -2.872 390 HB3 LEU 59 HB3 LEU 59 -9.692 -17.796 -3.083 391 HG LEU 59 HG LEU 59 -10.487 -15.261 -4.441 392 HD11 LEU 59 HD11 LEU 59 -8.038 -15.608 -4.847 393 HD12 LEU 59 HD12 LEU 59 -9.048 -15.651 -6.292 394 HD13 LEU 59 HD13 LEU 59 -8.449 -17.154 -5.590 395 HD21 LEU 59 HD21 LEU 59 -11.450 -16.748 -6.033 396 HD22 LEU 59 HD22 LEU 59 -11.889 -17.336 -4.429 397 HD23 LEU 59 HD23 LEU 59 -10.607 -18.133 -5.341 398 H SER 60 H SER 60 -10.259 -18.608 -1.143 399 HA SER 60 HA SER 60 -8.789 -17.850 1.257 400 HB2 SER 60 HB2 SER 60 -11.453 -18.197 1.531 401 HB3 SER 60 HB3 SER 60 -10.914 -19.865 1.725 402 HG SER 60 HG SER 60 -10.153 -19.368 3.616 403 H CYS 61 H CYS 61 -7.009 -19.036 1.222 404 HA CYS 61 HA CYS 61 -6.533 -21.234 -0.403 405 HB2 CYS 61 HB2 CYS 61 -5.089 -19.733 1.512 406 HB3 CYS 61 HB3 CYS 61 -4.921 -21.426 1.967 407 H THR 62 H THR 62 -7.735 -23.028 -0.364 408 HA THR 62 HA THR 62 -8.180 -24.334 2.242 409 HB THR 62 HB THR 62 -10.275 -23.527 1.142 410 HG1 THR 62 HG1 THR 62 -10.667 -25.203 2.468 411 HG21 THR 62 HG21 THR 62 -9.249 -24.210 -1.193 412 HG22 THR 62 HG22 THR 62 -10.990 -24.258 -0.914 413 HG23 THR 62 HG23 THR 62 -10.043 -25.744 -0.838 414 H LYS 63 H LYS 63 -7.679 -26.467 2.448 415 HA LYS 63 HA LYS 63 -5.835 -27.593 0.606 416 HB2 LYS 63 HB2 LYS 63 -5.767 -28.048 3.029 417 HB3 LYS 63 HB3 LYS 63 -7.296 -28.909 2.905 418 HG2 LYS 63 HG2 LYS 63 -6.334 -30.670 1.696 419 HG3 LYS 63 HG3 LYS 63 -4.882 -29.736 1.328 420 HD2 LYS 63 HD2 LYS 63 -3.982 -30.059 3.414 421 HD3 LYS 63 HD3 LYS 63 -5.558 -30.255 4.182 422 HE2 LYS 63 HE2 LYS 63 -5.683 -32.421 2.742 423 HE3 LYS 63 HE3 LYS 63 -3.931 -32.242 2.650 424 HZ1 LYS 63 HZ1 LYS 63 -4.392 -33.629 4.487 425 HZ2 LYS 63 HZ2 LYS 63 -5.585 -32.589 5.084 426 HZ3 LYS 63 HZ3 LYS 63 -3.958 -32.127 5.135 427 H VAL 64 H VAL 64 -6.232 -28.675 -1.200 428 HA VAL 64 HA VAL 64 -8.866 -29.961 -1.519 429 HB VAL 64 HB VAL 64 -8.584 -29.643 -3.960 430 HG11 VAL 64 HG11 VAL 64 -8.304 -26.925 -2.780 431 HG12 VAL 64 HG12 VAL 64 -9.474 -27.533 -3.953 432 HG13 VAL 64 HG13 VAL 64 -9.638 -27.947 -2.245 433 HG21 VAL 64 HG21 VAL 64 -6.780 -28.666 -4.930 434 HG22 VAL 64 HG22 VAL 64 -6.466 -27.616 -3.547 435 HG23 VAL 64 HG23 VAL 64 -5.973 -29.308 -3.499 436 H GLY 65 H GLY 65 -5.470 -30.387 -1.502 437 HA2 GLY 65 HA2 GLY 65 -5.845 -33.211 -2.214 438 HA3 GLY 65 HA3 GLY 65 -4.615 -32.287 -3.063 439 H GLU 66 H GLU 66 -3.066 -33.807 -2.246 440 HA GLU 66 HA GLU 66 -2.105 -33.037 0.401 441 HB2 GLU 66 HB2 GLU 66 -1.562 -35.610 0.662 442 HB3 GLU 66 HB3 GLU 66 -3.108 -34.948 1.173 443 HG2 GLU 66 HG2 GLU 66 -4.241 -35.856 -0.626 444 HG3 GLU 66 HG3 GLU 66 -2.776 -36.032 -1.590 445 HA PRO 67 HA PRO 67 -0.479 -34.367 1.710 446 HB2 PRO 67 HB2 PRO 67 1.746 -33.117 2.636 447 HB3 PRO 67 HB3 PRO 67 1.742 -34.804 2.109 448 HG2 PRO 67 HG2 PRO 67 2.624 -32.357 0.626 449 HG3 PRO 67 HG3 PRO 67 3.400 -33.949 0.721 450 HD2 PRO 67 HD2 PRO 67 1.907 -33.179 -1.403 451 HD3 PRO 67 HD3 PRO 67 1.995 -34.867 -0.859 452 H ASN 68 H ASN 68 0.960 -31.366 0.417 453 HA ASN 68 HA ASN 68 -1.063 -29.856 1.937 454 HB2 ASN 68 HB2 ASN 68 1.496 -29.731 2.597 455 HB3 ASN 68 HB3 ASN 68 1.562 -28.605 1.243 456 HD21 ASN 68 HD21 ASN 68 1.580 -26.622 2.000 457 HD22 ASN 68 HD22 ASN 68 0.571 -26.003 3.259 458 H LYS 69 H LYS 69 -1.836 -30.614 -0.474 459 HA LYS 69 HA LYS 69 -1.119 -28.608 -2.453 460 HB2 LYS 69 HB2 LYS 69 -1.402 -30.897 -3.216 461 HB3 LYS 69 HB3 LYS 69 -3.034 -30.944 -2.562 462 HG2 LYS 69 HG2 LYS 69 -3.909 -29.735 -4.275 463 HG3 LYS 69 HG3 LYS 69 -2.417 -28.832 -4.547 464 HD2 LYS 69 HD2 LYS 69 -2.595 -30.220 -6.421 465 HD3 LYS 69 HD3 LYS 69 -1.446 -31.057 -5.373 466 HE2 LYS 69 HE2 LYS 69 -3.058 -32.623 -6.302 467 HE3 LYS 69 HE3 LYS 69 -3.252 -32.496 -4.555 468 HZ1 LYS 69 HZ1 LYS 69 -5.363 -31.970 -4.878 469 HZ2 LYS 69 HZ2 LYS 69 -5.166 -32.051 -6.556 470 HZ3 LYS 69 HZ3 LYS 69 -4.909 -30.589 -5.743 471 H LEU 70 H LEU 70 -1.947 -26.812 -1.168 472 HA LEU 70 HA LEU 70 -4.826 -26.641 -0.835 473 HB2 LEU 70 HB2 LEU 70 -2.534 -24.834 -0.137 474 HB3 LEU 70 HB3 LEU 70 -4.209 -24.304 -0.003 475 HG LEU 70 HG LEU 70 -4.468 -26.423 1.495 476 HD11 LEU 70 HD11 LEU 70 -2.290 -26.707 2.811 477 HD12 LEU 70 HD12 LEU 70 -1.500 -26.011 1.397 478 HD13 LEU 70 HD13 LEU 70 -2.419 -27.509 1.246 479 HD21 LEU 70 HD21 LEU 70 -4.764 -24.157 2.292 480 HD22 LEU 70 HD22 LEU 70 -3.017 -23.935 2.393 481 HD23 LEU 70 HD23 LEU 70 -3.824 -25.083 3.460 482 H ARG 71 H ARG 71 -6.082 -24.888 -1.717 483 HA ARG 71 HA ARG 71 -4.972 -23.483 -4.012 484 HB2 ARG 71 HB2 ARG 71 -7.162 -25.536 -4.182 485 HB3 ARG 71 HB3 ARG 71 -7.060 -24.219 -5.344 486 HG2 ARG 71 HG2 ARG 71 -4.890 -24.950 -6.067 487 HG3 ARG 71 HG3 ARG 71 -4.843 -26.181 -4.803 488 HD2 ARG 71 HD2 ARG 71 -5.526 -27.471 -6.554 489 HD3 ARG 71 HD3 ARG 71 -7.098 -26.937 -5.959 490 HE ARG 71 HE ARG 71 -6.186 -25.095 -7.862 491 HH11 ARG 71 HH11 ARG 71 -7.289 -28.389 -7.658 492 HH12 ARG 71 HH12 ARG 71 -7.922 -28.415 -9.271 493 HH21 ARG 71 HH21 ARG 71 -7.014 -25.114 -9.987 494 HH22 ARG 71 HH22 ARG 71 -7.764 -26.552 -10.595 495 H CYS 72 H CYS 72 -6.381 -21.784 -4.808 496 HA CYS 72 HA CYS 72 -7.686 -20.410 -2.680 497 HB2 CYS 72 HB2 CYS 72 -6.945 -19.853 -5.471 498 HB3 CYS 72 HB3 CYS 72 -8.414 -19.043 -4.940 499 H GLN 73 H GLN 73 -9.833 -20.062 -2.300 500 HA GLN 73 HA GLN 73 -11.824 -21.098 -4.146 501 HB2 GLN 73 HB2 GLN 73 -11.123 -22.983 -2.597 502 HB3 GLN 73 HB3 GLN 73 -11.820 -22.046 -1.282 503 HG2 GLN 73 HG2 GLN 73 -13.297 -23.825 -2.224 504 HG3 GLN 73 HG3 GLN 73 -13.995 -22.207 -2.198 505 HE21 GLN 73 HE21 GLN 73 -11.692 -23.661 -4.450 506 HE22 GLN 73 HE22 GLN 73 -12.680 -23.476 -5.855 507 H GLU 74 H GLU 74 -13.475 -19.729 -4.246 508 HA GLU 74 HA GLU 74 -13.638 -17.358 -2.844 509 HB2 GLU 74 HB2 GLU 74 -15.749 -18.954 -4.282 510 HB3 GLU 74 HB3 GLU 74 -16.095 -17.387 -3.564 511 HG2 GLU 74 HG2 GLU 74 -13.840 -17.731 -5.500 512 HG3 GLU 74 HG3 GLU 74 -15.496 -17.500 -6.057 513 H GLU 75 H GLU 75 -13.986 -16.970 -0.768 514 HA GLU 75 HA GLU 75 -14.943 -18.917 1.046 515 HB2 GLU 75 HB2 GLU 75 -13.466 -16.753 1.396 516 HB3 GLU 75 HB3 GLU 75 -15.025 -16.011 1.727 517 HG2 GLU 75 HG2 GLU 75 -15.429 -17.719 3.463 518 HG3 GLU 75 HG3 GLU 75 -13.813 -18.358 3.168 519 H SER 76 H SER 76 -16.839 -18.731 2.428 520 HA SER 76 HA SER 76 -19.199 -18.228 0.876 521 HB2 SER 76 HB2 SER 76 -18.833 -20.096 2.614 522 HB3 SER 76 HB3 SER 76 -19.171 -18.858 3.822 523 HG SER 76 HG SER 76 -21.052 -20.018 3.189 Start of MODEL 4 1 H1 SER 1 H SER 1 2.162 0.863 -0.370 2 HA SER 1 HA SER 1 1.563 -0.360 -2.970 3 HB2 SER 1 HB2 SER 1 3.603 1.678 -2.086 4 HB3 SER 1 HB3 SER 1 3.716 0.863 -3.645 5 HG SER 1 HG SER 1 1.846 2.730 -2.736 6 H VAL 2 H VAL 2 2.712 -2.045 -3.773 7 HA VAL 2 HA VAL 2 4.229 -3.627 -1.927 8 HB VAL 2 HB VAL 2 3.736 -4.024 -4.881 9 HG11 VAL 2 HG11 VAL 2 5.455 -5.405 -3.016 10 HG12 VAL 2 HG12 VAL 2 4.221 -6.482 -3.670 11 HG13 VAL 2 HG13 VAL 2 5.296 -5.606 -4.760 12 HG21 VAL 2 HG21 VAL 2 1.846 -5.186 -4.372 13 HG22 VAL 2 HG22 VAL 2 2.446 -5.690 -2.791 14 HG23 VAL 2 HG23 VAL 2 1.837 -4.051 -3.021 15 H THR 3 H THR 3 6.381 -3.849 -1.741 16 HA THR 3 HA THR 3 8.119 -2.691 -3.799 17 HB THR 3 HB THR 3 8.609 -2.185 -0.865 18 HG1 THR 3 HG1 THR 3 7.381 -0.460 -1.001 19 HG21 THR 3 HG21 THR 3 10.638 -1.928 -1.958 20 HG22 THR 3 HG22 THR 3 9.987 -0.290 -2.008 21 HG23 THR 3 HG23 THR 3 9.883 -1.324 -3.432 22 H CYS 4 H CYS 4 9.214 -4.422 -4.479 23 HA CYS 4 HA CYS 4 10.624 -6.032 -2.467 24 HB2 CYS 4 HB2 CYS 4 9.340 -7.242 -4.918 25 HB3 CYS 4 HB3 CYS 4 10.093 -8.087 -3.571 26 H GLY 5 H GLY 5 12.626 -6.862 -3.116 27 HA2 GLY 5 HA2 GLY 5 14.631 -6.825 -4.230 28 HA3 GLY 5 HA3 GLY 5 13.675 -6.812 -5.705 29 H GLY 6 H GLY 6 13.698 -4.326 -3.196 30 HA2 GLY 6 HA2 GLY 6 14.294 -2.110 -3.263 31 HA3 GLY 6 HA3 GLY 6 15.521 -2.575 -4.432 32 H LYS 7 H LYS 7 12.208 -3.268 -5.132 33 HA LYS 7 HA LYS 7 11.933 -0.856 -6.760 34 HB2 LYS 7 HB2 LYS 7 12.068 -3.663 -7.786 35 HB3 LYS 7 HB3 LYS 7 11.018 -2.507 -8.595 36 HG2 LYS 7 HG2 LYS 7 13.217 -1.031 -8.532 37 HG3 LYS 7 HG3 LYS 7 13.976 -2.623 -8.465 38 HD2 LYS 7 HD2 LYS 7 13.854 -2.190 -10.747 39 HD3 LYS 7 HD3 LYS 7 12.431 -3.192 -10.454 40 HE2 LYS 7 HE2 LYS 7 10.984 -1.329 -10.528 41 HE3 LYS 7 HE3 LYS 7 12.323 -0.188 -10.409 42 HZ1 LYS 7 HZ1 LYS 7 11.254 -1.544 -12.726 43 HZ2 LYS 7 HZ2 LYS 7 12.944 -1.533 -12.642 44 HZ3 LYS 7 HZ3 LYS 7 12.087 -0.075 -12.618 45 H GLN 8 H GLN 8 9.828 -0.213 -7.110 46 HA GLN 8 HA GLN 8 7.831 -1.580 -5.472 47 HB2 GLN 8 HB2 GLN 8 8.155 1.192 -6.524 48 HB3 GLN 8 HB3 GLN 8 6.527 0.612 -6.192 49 HG2 GLN 8 HG2 GLN 8 6.895 0.459 -3.927 50 HG3 GLN 8 HG3 GLN 8 8.642 0.314 -4.114 51 HE21 GLN 8 HE21 GLN 8 7.671 2.018 -2.265 52 HE22 GLN 8 HE22 GLN 8 7.914 3.655 -2.761 53 H CYS 9 H CYS 9 5.793 -2.168 -6.256 54 HA CYS 9 HA CYS 9 5.414 -2.097 -9.162 55 HB2 CYS 9 HB2 CYS 9 5.656 -4.513 -7.436 56 HB3 CYS 9 HB3 CYS 9 4.456 -4.547 -8.725 57 H LYS 10 H LYS 10 3.149 -2.863 -9.741 58 HA LYS 10 HA LYS 10 1.252 -1.241 -8.533 59 HB2 LYS 10 HB2 LYS 10 1.180 -3.510 -10.441 60 HB3 LYS 10 HB3 LYS 10 -0.334 -3.120 -9.636 61 HG2 LYS 10 HG2 LYS 10 -0.266 -1.950 -11.711 62 HG3 LYS 10 HG3 LYS 10 -0.071 -0.771 -10.411 63 HD2 LYS 10 HD2 LYS 10 2.181 -0.445 -10.875 64 HD3 LYS 10 HD3 LYS 10 2.330 -1.983 -11.729 65 HE2 LYS 10 HE2 LYS 10 2.401 -0.204 -13.337 66 HE3 LYS 10 HE3 LYS 10 0.873 -1.064 -13.518 67 HZ1 LYS 10 HZ1 LYS 10 1.004 1.321 -11.801 68 HZ2 LYS 10 HZ2 LYS 10 -0.315 0.681 -12.645 69 HZ3 LYS 10 HZ3 LYS 10 0.902 1.508 -13.480 70 HA PRO 11 HA PRO 11 -0.236 -3.306 -4.959 71 HB2 PRO 11 HB2 PRO 11 -2.913 -2.874 -5.099 72 HB3 PRO 11 HB3 PRO 11 -1.753 -1.597 -4.715 73 HG2 PRO 11 HG2 PRO 11 -3.082 -2.230 -7.323 74 HG3 PRO 11 HG3 PRO 11 -2.802 -0.652 -6.563 75 HD2 PRO 11 HD2 PRO 11 -1.235 -1.608 -8.553 76 HD3 PRO 11 HD3 PRO 11 -0.607 -0.563 -7.263 77 H ASN 12 H ASN 12 -1.953 -4.914 -4.186 78 HA ASN 12 HA ASN 12 -2.783 -7.030 -4.259 79 HB2 ASN 12 HB2 ASN 12 -3.472 -6.091 -7.043 80 HB3 ASN 12 HB3 ASN 12 -3.968 -7.662 -6.425 81 HD21 ASN 12 HD21 ASN 12 -4.282 -4.204 -6.033 82 HD22 ASN 12 HD22 ASN 12 -5.764 -4.245 -5.145 83 H SER 13 H SER 13 -0.015 -6.758 -4.680 84 HA SER 13 HA SER 13 0.488 -9.205 -6.207 85 HB2 SER 13 HB2 SER 13 2.443 -8.245 -7.305 86 HB3 SER 13 HB3 SER 13 1.012 -7.295 -7.701 87 HG SER 13 HG SER 13 2.552 -5.836 -7.145 88 H CYS 14 H CYS 14 1.802 -10.579 -5.178 89 HA CYS 14 HA CYS 14 2.991 -9.706 -2.659 90 HB2 CYS 14 HB2 CYS 14 3.106 -12.008 -2.060 91 HB3 CYS 14 HB3 CYS 14 1.538 -11.771 -2.825 92 H CYS 15 H CYS 15 5.146 -10.732 -2.092 93 HA CYS 15 HA CYS 15 7.005 -10.144 -4.254 94 HB2 CYS 15 HB2 CYS 15 7.651 -10.829 -1.382 95 HB3 CYS 15 HB3 CYS 15 8.706 -10.054 -2.559 96 H VAL 16 H VAL 16 7.933 -11.663 -5.448 97 HA VAL 16 HA VAL 16 8.054 -14.411 -4.383 98 HB VAL 16 HB VAL 16 8.002 -15.121 -6.824 99 HG11 VAL 16 HG11 VAL 16 5.367 -14.034 -6.589 100 HG12 VAL 16 HG12 VAL 16 5.914 -15.692 -6.330 101 HG13 VAL 16 HG13 VAL 16 5.938 -14.536 -4.998 102 HG21 VAL 16 HG21 VAL 16 6.942 -12.320 -7.179 103 HG22 VAL 16 HG22 VAL 16 8.489 -12.914 -7.782 104 HG23 VAL 16 HG23 VAL 16 6.982 -13.582 -8.410 105 H GLN 17 H GLN 17 9.911 -15.597 -4.734 106 HA GLN 17 HA GLN 17 12.277 -14.022 -5.363 107 HB2 GLN 17 HB2 GLN 17 11.937 -15.686 -3.361 108 HB3 GLN 17 HB3 GLN 17 12.373 -16.902 -4.554 109 HG2 GLN 17 HG2 GLN 17 14.429 -16.463 -3.715 110 HG3 GLN 17 HG3 GLN 17 14.381 -15.244 -4.987 111 HE21 GLN 17 HE21 GLN 17 14.584 -13.163 -4.452 112 HE22 GLN 17 HE22 GLN 17 14.645 -12.556 -2.835 113 H ASN 18 H ASN 18 13.279 -14.095 -7.259 114 HA ASN 18 HA ASN 18 12.926 -16.468 -8.960 115 HB2 ASN 18 HB2 ASN 18 12.865 -13.600 -9.926 116 HB3 ASN 18 HB3 ASN 18 12.727 -15.038 -10.934 117 HD21 ASN 18 HD21 ASN 18 11.012 -16.595 -9.539 118 HD22 ASN 18 HD22 ASN 18 9.469 -15.826 -9.416 119 H SER 19 H SER 19 15.102 -15.911 -7.237 120 HA SER 19 HA SER 19 17.257 -14.761 -8.737 121 HB2 SER 19 HB2 SER 19 18.667 -15.452 -6.876 122 HB3 SER 19 HB3 SER 19 17.182 -14.732 -6.253 123 HG SER 19 HG SER 19 18.145 -17.259 -5.952 124 H HIS 20 H HIS 20 18.869 -15.764 -9.861 125 HA HIS 20 HA HIS 20 18.295 -18.376 -10.899 126 HB2 HIS 20 HB2 HIS 20 19.366 -16.363 -12.126 127 HB3 HIS 20 HB3 HIS 20 20.866 -16.885 -11.363 128 HD1 HIS 20 HD1 HIS 20 21.935 -17.538 -13.606 129 HD2 HIS 20 HD2 HIS 20 18.412 -19.574 -12.771 130 HE1 HIS 20 HE1 HIS 20 21.830 -19.413 -15.279 131 H GLY 21 H GLY 21 20.254 -17.098 -8.366 132 HA2 GLY 21 HA2 GLY 21 21.093 -18.505 -6.633 133 HA3 GLY 21 HA3 GLY 21 21.220 -19.813 -7.800 134 H LYS 22 H LYS 22 22.366 -16.529 -8.318 135 HA LYS 22 HA LYS 22 25.099 -17.599 -8.497 136 HB2 LYS 22 HB2 LYS 22 23.817 -16.371 -10.457 137 HB3 LYS 22 HB3 LYS 22 24.353 -14.929 -9.607 138 HG2 LYS 22 HG2 LYS 22 26.109 -15.182 -11.012 139 HG3 LYS 22 HG3 LYS 22 26.677 -16.203 -9.689 140 HD2 LYS 22 HD2 LYS 22 26.122 -18.175 -10.819 141 HD3 LYS 22 HD3 LYS 22 25.051 -17.336 -11.942 142 HE2 LYS 22 HE2 LYS 22 28.002 -16.784 -11.859 143 HE3 LYS 22 HE3 LYS 22 27.335 -18.111 -12.810 144 HZ1 LYS 22 HZ1 LYS 22 27.456 -16.330 -14.283 145 HZ2 LYS 22 HZ2 LYS 22 26.895 -15.209 -13.149 146 HZ3 LYS 22 HZ3 LYS 22 25.831 -16.342 -13.814 147 H GLY 23 H GLY 23 23.659 -16.677 -6.047 148 HA2 GLY 23 HA2 GLY 23 24.514 -15.749 -4.089 149 HA3 GLY 23 HA3 GLY 23 25.814 -15.029 -5.028 150 H LYS 24 H LYS 24 23.208 -14.211 -6.735 151 HA LYS 24 HA LYS 24 22.749 -11.746 -5.185 152 HB2 LYS 24 HB2 LYS 24 23.259 -12.189 -8.093 153 HB3 LYS 24 HB3 LYS 24 22.194 -10.870 -7.624 154 HG2 LYS 24 HG2 LYS 24 24.882 -11.150 -6.351 155 HG3 LYS 24 HG3 LYS 24 24.722 -10.424 -7.951 156 HD2 LYS 24 HD2 LYS 24 23.121 -8.797 -7.034 157 HD3 LYS 24 HD3 LYS 24 23.331 -9.510 -5.432 158 HE2 LYS 24 HE2 LYS 24 25.568 -8.321 -7.066 159 HE3 LYS 24 HE3 LYS 24 24.669 -7.439 -5.832 160 HZ1 LYS 24 HZ1 LYS 24 26.395 -8.187 -4.588 161 HZ2 LYS 24 HZ2 LYS 24 26.642 -9.573 -5.527 162 HZ3 LYS 24 HZ3 LYS 24 25.372 -9.524 -4.410 163 H ASP 25 H ASP 25 20.824 -12.132 -4.230 164 HA ASP 25 HA ASP 25 18.675 -13.461 -5.616 165 HB2 ASP 25 HB2 ASP 25 17.390 -13.028 -3.545 166 HB3 ASP 25 HB3 ASP 25 18.936 -13.809 -3.223 167 H SER 26 H SER 26 17.239 -12.523 -6.899 168 HA SER 26 HA SER 26 16.589 -9.689 -6.486 169 HB2 SER 26 HB2 SER 26 18.204 -9.764 -8.317 170 HB3 SER 26 HB3 SER 26 17.231 -10.973 -9.153 171 HG SER 26 HG SER 26 17.003 -8.637 -9.757 172 HA PRO 27 HA PRO 27 12.731 -12.170 -6.718 173 HB2 PRO 27 HB2 PRO 27 11.401 -10.651 -4.902 174 HB3 PRO 27 HB3 PRO 27 12.478 -11.976 -4.443 175 HG2 PRO 27 HG2 PRO 27 13.017 -9.032 -4.501 176 HG3 PRO 27 HG3 PRO 27 13.465 -10.227 -3.270 177 HD2 PRO 27 HD2 PRO 27 15.214 -9.323 -5.128 178 HD3 PRO 27 HD3 PRO 27 15.282 -10.973 -4.475 179 H ARG 28 H ARG 28 10.529 -11.484 -7.292 180 HA ARG 28 HA ARG 28 10.393 -8.816 -8.510 181 HB2 ARG 28 HB2 ARG 28 10.851 -10.978 -10.052 182 HB3 ARG 28 HB3 ARG 28 9.095 -11.028 -9.994 183 HG2 ARG 28 HG2 ARG 28 8.877 -8.970 -11.060 184 HG3 ARG 28 HG3 ARG 28 10.544 -8.509 -10.710 185 HD2 ARG 28 HD2 ARG 28 11.141 -10.572 -12.174 186 HD3 ARG 28 HD3 ARG 28 9.492 -10.401 -12.774 187 HE ARG 28 HE ARG 28 10.863 -7.922 -12.871 188 HH11 ARG 28 HH11 ARG 28 10.623 -11.003 -14.472 189 HH12 ARG 28 HH12 ARG 28 11.128 -10.390 -16.011 190 HH21 ARG 28 HH21 ARG 28 11.530 -7.102 -14.892 191 HH22 ARG 28 HH22 ARG 28 11.646 -8.170 -16.249 192 H CYS 29 H CYS 29 8.037 -8.436 -9.317 193 HA CYS 29 HA CYS 29 6.279 -9.149 -7.081 194 HB2 CYS 29 HB2 CYS 29 4.894 -7.240 -7.847 195 HB3 CYS 29 HB3 CYS 29 6.542 -6.765 -7.449 196 H HIS 30 H HIS 30 4.534 -10.399 -7.343 197 HA HIS 30 HA HIS 30 3.676 -11.025 -10.091 198 HB2 HIS 30 HB2 HIS 30 4.714 -12.793 -8.103 199 HB3 HIS 30 HB3 HIS 30 3.018 -13.190 -8.363 200 HD1 HIS 30 HD1 HIS 30 5.625 -12.124 -10.917 201 HD2 HIS 30 HD2 HIS 30 3.136 -15.329 -10.025 202 HE1 HIS 30 HE1 HIS 30 5.905 -13.743 -12.821 203 HA PRO 31 HA PRO 31 -0.379 -9.848 -8.878 204 HB2 PRO 31 HB2 PRO 31 -1.852 -11.390 -10.557 205 HB3 PRO 31 HB3 PRO 31 -0.936 -9.980 -11.102 206 HG2 PRO 31 HG2 PRO 31 -0.212 -12.881 -11.246 207 HG3 PRO 31 HG3 PRO 31 -0.016 -11.617 -12.474 208 HD2 PRO 31 HD2 PRO 31 2.030 -12.464 -10.916 209 HD3 PRO 31 HD3 PRO 31 1.902 -10.792 -11.500 210 H LEU 32 H LEU 32 -2.032 -10.469 -7.537 211 HA LEU 32 HA LEU 32 -1.686 -12.635 -5.832 212 HB2 LEU 32 HB2 LEU 32 -4.032 -10.891 -6.471 213 HB3 LEU 32 HB3 LEU 32 -4.197 -12.238 -5.346 214 HG LEU 32 HG LEU 32 -2.201 -10.011 -4.986 215 HD11 LEU 32 HD11 LEU 32 -4.172 -8.834 -4.794 216 HD12 LEU 32 HD12 LEU 32 -3.922 -9.385 -3.138 217 HD13 LEU 32 HD13 LEU 32 -5.068 -10.225 -4.182 218 HD21 LEU 32 HD21 LEU 32 -2.129 -12.413 -3.855 219 HD22 LEU 32 HD22 LEU 32 -3.293 -11.652 -2.769 220 HD23 LEU 32 HD23 LEU 32 -1.689 -10.948 -2.978 221 H GLY 33 H GLY 33 -2.783 -14.619 -5.592 222 HA2 GLY 33 HA2 GLY 33 -3.208 -16.034 -8.014 223 HA3 GLY 33 HA3 GLY 33 -3.525 -16.641 -6.396 224 H LYS 34 H LYS 34 -5.124 -17.146 -8.692 225 HA LYS 34 HA LYS 34 -7.567 -15.623 -8.078 226 HB2 LYS 34 HB2 LYS 34 -8.369 -16.182 -10.273 227 HB3 LYS 34 HB3 LYS 34 -6.741 -15.537 -10.432 228 HG2 LYS 34 HG2 LYS 34 -5.833 -17.713 -10.783 229 HG3 LYS 34 HG3 LYS 34 -7.373 -18.477 -10.382 230 HD2 LYS 34 HD2 LYS 34 -7.483 -18.538 -12.667 231 HD3 LYS 34 HD3 LYS 34 -8.242 -16.971 -12.368 232 HE2 LYS 34 HE2 LYS 34 -6.116 -15.854 -12.785 233 HE3 LYS 34 HE3 LYS 34 -5.334 -17.412 -13.043 234 HZ1 LYS 34 HZ1 LYS 34 -5.843 -16.469 -15.152 235 HZ2 LYS 34 HZ2 LYS 34 -7.450 -16.175 -14.714 236 HZ3 LYS 34 HZ3 LYS 34 -6.905 -17.764 -14.912 237 H LEU 35 H LEU 35 -9.505 -17.246 -9.008 238 HA LEU 35 HA LEU 35 -9.728 -19.192 -6.936 239 HB2 LEU 35 HB2 LEU 35 -11.714 -18.105 -7.593 240 HB3 LEU 35 HB3 LEU 35 -11.438 -18.466 -9.296 241 HG LEU 35 HG LEU 35 -11.879 -20.851 -8.827 242 HD11 LEU 35 HD11 LEU 35 -13.135 -20.315 -6.239 243 HD12 LEU 35 HD12 LEU 35 -11.374 -20.228 -6.227 244 HD13 LEU 35 HD13 LEU 35 -12.181 -21.697 -6.777 245 HD21 LEU 35 HD21 LEU 35 -13.751 -19.807 -9.673 246 HD22 LEU 35 HD22 LEU 35 -13.915 -18.735 -8.282 247 HD23 LEU 35 HD23 LEU 35 -14.361 -20.437 -8.143 248 H ASN 36 H ASN 36 -9.799 -21.432 -7.082 249 HA ASN 36 HA ASN 36 -9.130 -23.489 -7.786 250 HB2 ASN 36 HB2 ASN 36 -10.097 -22.248 -10.348 251 HB3 ASN 36 HB3 ASN 36 -9.412 -23.869 -10.338 252 HD21 ASN 36 HD21 ASN 36 -12.211 -22.311 -10.378 253 HD22 ASN 36 HD22 ASN 36 -13.214 -23.420 -9.511 254 H ASN 37 H ASN 37 -7.128 -21.456 -7.483 255 HA ASN 37 HA ASN 37 -5.122 -22.453 -9.395 256 HB2 ASN 37 HB2 ASN 37 -5.865 -19.716 -8.724 257 HB3 ASN 37 HB3 ASN 37 -4.146 -20.015 -8.485 258 HD21 ASN 37 HD21 ASN 37 -6.658 -20.851 -10.852 259 HD22 ASN 37 HD22 ASN 37 -5.705 -20.479 -12.245 260 HA PRO 38 HA PRO 38 -2.633 -23.703 -6.005 261 HB2 PRO 38 HB2 PRO 38 -0.131 -23.108 -6.874 262 HB3 PRO 38 HB3 PRO 38 -1.087 -24.439 -7.537 263 HG2 PRO 38 HG2 PRO 38 -0.662 -21.684 -8.628 264 HG3 PRO 38 HG3 PRO 38 -0.659 -23.238 -9.482 265 HD2 PRO 38 HD2 PRO 38 -2.791 -21.568 -9.501 266 HD3 PRO 38 HD3 PRO 38 -2.960 -23.334 -9.573 267 H CYS 39 H CYS 39 -2.595 -22.688 -4.105 268 HA CYS 39 HA CYS 39 -1.118 -20.163 -3.884 269 HB2 CYS 39 HB2 CYS 39 -2.818 -19.136 -2.550 270 HB3 CYS 39 HB3 CYS 39 -3.594 -19.727 -4.015 271 H GLU 40 H GLU 40 -0.710 -19.611 -1.527 272 HA GLU 40 HA GLU 40 -0.371 -22.052 0.080 273 HB2 GLU 40 HB2 GLU 40 1.788 -21.595 -0.867 274 HB3 GLU 40 HB3 GLU 40 1.673 -19.893 -0.441 275 HG2 GLU 40 HG2 GLU 40 1.844 -20.406 1.895 276 HG3 GLU 40 HG3 GLU 40 1.773 -22.135 1.562 277 H VAL 41 H VAL 41 -0.580 -21.824 2.291 278 HA VAL 41 HA VAL 41 -2.331 -19.936 3.284 279 HB VAL 41 HB VAL 41 -0.223 -21.381 4.894 280 HG11 VAL 41 HG11 VAL 41 -1.160 -19.791 6.315 281 HG12 VAL 41 HG12 VAL 41 -2.765 -19.962 5.606 282 HG13 VAL 41 HG13 VAL 41 -2.113 -21.239 6.633 283 HG21 VAL 41 HG21 VAL 41 -2.299 -22.926 5.280 284 HG22 VAL 41 HG22 VAL 41 -2.826 -22.266 3.732 285 HG23 VAL 41 HG23 VAL 41 -1.292 -23.130 3.846 286 H GLU 42 H GLU 42 1.150 -20.052 4.074 287 HA GLU 42 HA GLU 42 1.210 -17.125 4.006 288 HB2 GLU 42 HB2 GLU 42 2.002 -18.867 6.329 289 HB3 GLU 42 HB3 GLU 42 2.670 -17.255 6.115 290 HG2 GLU 42 HG2 GLU 42 0.265 -16.440 6.026 291 HG3 GLU 42 HG3 GLU 42 -0.178 -18.037 6.624 292 HA PRO 43 HA PRO 43 5.074 -17.597 1.983 293 HB2 PRO 43 HB2 PRO 43 6.431 -15.421 2.870 294 HB3 PRO 43 HB3 PRO 43 5.092 -15.315 1.722 295 HG2 PRO 43 HG2 PRO 43 5.094 -14.845 4.678 296 HG3 PRO 43 HG3 PRO 43 4.301 -13.909 3.397 297 HD2 PRO 43 HD2 PRO 43 2.966 -15.692 4.938 298 HD3 PRO 43 HD3 PRO 43 2.532 -15.379 3.244 299 H ASN 44 H ASN 44 7.592 -17.106 2.624 300 HA ASN 44 HA ASN 44 8.219 -19.147 4.524 301 HB2 ASN 44 HB2 ASN 44 10.283 -17.259 3.455 302 HB3 ASN 44 HB3 ASN 44 10.407 -18.989 3.760 303 HD21 ASN 44 HD21 ASN 44 10.940 -17.256 1.371 304 HD22 ASN 44 HD22 ASN 44 10.073 -18.015 0.085 305 H GLU 45 H GLU 45 10.453 -18.300 5.831 306 HA GLU 45 HA GLU 45 9.362 -16.905 8.041 307 HB2 GLU 45 HB2 GLU 45 11.536 -17.107 9.042 308 HB3 GLU 45 HB3 GLU 45 11.187 -18.601 8.184 309 HG2 GLU 45 HG2 GLU 45 12.513 -17.589 6.250 310 HG3 GLU 45 HG3 GLU 45 13.085 -16.412 7.429 311 H ASN 46 H ASN 46 10.748 -15.843 5.128 312 HA ASN 46 HA ASN 46 11.502 -13.240 6.231 313 HB2 ASN 46 HB2 ASN 46 12.015 -14.635 3.624 314 HB3 ASN 46 HB3 ASN 46 12.181 -12.884 3.734 315 HD21 ASN 46 HD21 ASN 46 14.040 -15.331 3.485 316 HD22 ASN 46 HD22 ASN 46 15.295 -14.982 4.619 317 H GLY 47 H GLY 47 9.073 -14.789 4.277 318 HA2 GLY 47 HA2 GLY 47 6.882 -13.816 4.119 319 HA3 GLY 47 HA3 GLY 47 7.629 -12.226 4.158 320 H ILE 48 H ILE 48 8.799 -14.868 2.174 321 HA ILE 48 HA ILE 48 7.841 -13.422 -0.210 322 HB ILE 48 HB ILE 48 10.406 -15.002 -0.061 323 HG12 ILE 48 HG12 ILE 48 10.025 -12.002 0.072 324 HG13 ILE 48 HG13 ILE 48 10.517 -13.028 1.415 325 HG21 ILE 48 HG21 ILE 48 9.503 -14.862 -2.285 326 HG22 ILE 48 HG22 ILE 48 9.268 -13.122 -2.124 327 HG23 ILE 48 HG23 ILE 48 10.900 -13.792 -2.168 328 HD11 ILE 48 HD11 ILE 48 12.050 -12.252 -1.026 329 HD12 ILE 48 HD12 ILE 48 12.509 -12.127 0.672 330 HD13 ILE 48 HD13 ILE 48 12.473 -13.703 -0.118 331 H TYR 49 H TYR 49 7.249 -14.665 -2.016 332 HA TYR 49 HA TYR 49 6.556 -17.442 -1.355 333 HB2 TYR 49 HB2 TYR 49 5.368 -15.445 -3.271 334 HB3 TYR 49 HB3 TYR 49 4.994 -17.161 -3.374 335 HD1 TYR 49 HD1 TYR 49 4.713 -14.158 -1.245 336 HD2 TYR 49 HD2 TYR 49 3.487 -18.189 -1.843 337 HE1 TYR 49 HE1 TYR 49 2.964 -13.874 0.461 338 HE2 TYR 49 HE2 TYR 49 1.734 -17.915 -0.140 339 HH TYR 49 HH TYR 49 1.268 -14.814 1.534 340 H SER 50 H SER 50 6.211 -18.654 -3.669 341 HA SER 50 HA SER 50 8.906 -18.709 -4.809 342 HB2 SER 50 HB2 SER 50 6.751 -20.693 -4.415 343 HB3 SER 50 HB3 SER 50 7.660 -20.852 -5.918 344 HG SER 50 HG SER 50 9.433 -21.331 -4.820 345 H GLN 51 H GLN 51 5.786 -19.540 -6.280 346 HA GLN 51 HA GLN 51 6.432 -17.704 -8.491 347 HB2 GLN 51 HB2 GLN 51 5.630 -20.558 -8.514 348 HB3 GLN 51 HB3 GLN 51 4.900 -19.529 -9.738 349 HG2 GLN 51 HG2 GLN 51 7.054 -18.908 -10.586 350 HG3 GLN 51 HG3 GLN 51 7.862 -19.762 -9.273 351 HE21 GLN 51 HE21 GLN 51 8.208 -20.147 -12.098 352 HE22 GLN 51 HE22 GLN 51 7.773 -21.783 -12.440 353 H HIS 52 H HIS 52 3.690 -19.597 -7.210 354 HA HIS 52 HA HIS 52 1.768 -17.703 -8.159 355 HB2 HIS 52 HB2 HIS 52 0.149 -19.096 -6.847 356 HB3 HIS 52 HB3 HIS 52 1.106 -20.007 -8.011 357 HD1 HIS 52 HD1 HIS 52 0.739 -19.436 -4.312 358 HD2 HIS 52 HD2 HIS 52 2.731 -21.971 -6.933 359 HE1 HIS 52 HE1 HIS 52 1.701 -21.265 -2.879 360 H CYS 53 H CYS 53 0.203 -16.610 -6.739 361 HA CYS 53 HA CYS 53 1.526 -15.596 -4.310 362 HB2 CYS 53 HB2 CYS 53 -0.157 -14.278 -6.400 363 HB3 CYS 53 HB3 CYS 53 -0.202 -13.649 -4.757 364 HA PRO 54 HA PRO 54 -1.784 -16.941 -1.766 365 HB2 PRO 54 HB2 PRO 54 -2.047 -14.881 -0.018 366 HB3 PRO 54 HB3 PRO 54 -0.675 -15.995 0.010 367 HG2 PRO 54 HG2 PRO 54 -0.861 -13.249 -1.167 368 HG3 PRO 54 HG3 PRO 54 0.450 -13.972 -0.217 369 HD2 PRO 54 HD2 PRO 54 0.546 -13.771 -2.916 370 HD3 PRO 54 HD3 PRO 54 1.306 -15.109 -2.030 371 H CYS 55 H CYS 55 -3.971 -16.394 -0.951 372 HA CYS 55 HA CYS 55 -5.564 -15.279 -3.022 373 HB2 CYS 55 HB2 CYS 55 -6.279 -16.121 -0.208 374 HB3 CYS 55 HB3 CYS 55 -7.454 -15.670 -1.438 375 H GLY 56 H GLY 56 -6.311 -13.270 -3.305 376 HA2 GLY 56 HA2 GLY 56 -6.543 -11.443 -1.057 377 HA3 GLY 56 HA3 GLY 56 -5.338 -11.006 -2.259 378 H GLU 57 H GLU 57 -8.116 -12.679 -3.392 379 HA GLU 57 HA GLU 57 -9.315 -10.141 -4.282 380 HB2 GLU 57 HB2 GLU 57 -9.742 -11.053 -6.457 381 HB3 GLU 57 HB3 GLU 57 -8.035 -11.281 -6.104 382 HG2 GLU 57 HG2 GLU 57 -8.382 -13.599 -5.613 383 HG3 GLU 57 HG3 GLU 57 -10.129 -13.410 -5.749 384 H GLY 58 H GLY 58 -9.944 -12.019 -2.057 385 HA2 GLY 58 HA2 GLY 58 -12.099 -12.302 -1.106 386 HA3 GLY 58 HA3 GLY 58 -12.780 -12.352 -2.726 387 H LEU 59 H LEU 59 -9.948 -14.219 -2.062 388 HA LEU 59 HA LEU 59 -11.587 -16.661 -2.179 389 HB2 LEU 59 HB2 LEU 59 -8.679 -16.301 -2.889 390 HB3 LEU 59 HB3 LEU 59 -9.623 -17.777 -3.077 391 HG LEU 59 HG LEU 59 -10.504 -15.312 -4.508 392 HD11 LEU 59 HD11 LEU 59 -9.027 -15.712 -6.340 393 HD12 LEU 59 HD12 LEU 59 -8.350 -17.139 -5.556 394 HD13 LEU 59 HD13 LEU 59 -8.048 -15.536 -4.884 395 HD21 LEU 59 HD21 LEU 59 -11.408 -16.861 -6.057 396 HD22 LEU 59 HD22 LEU 59 -11.796 -17.474 -4.450 397 HD23 LEU 59 HD23 LEU 59 -10.477 -18.194 -5.374 398 H SER 60 H SER 60 -10.192 -18.600 -1.226 399 HA SER 60 HA SER 60 -8.817 -17.854 1.225 400 HB2 SER 60 HB2 SER 60 -11.480 -18.183 1.452 401 HB3 SER 60 HB3 SER 60 -10.968 -19.860 1.627 402 HG SER 60 HG SER 60 -9.385 -18.854 3.204 403 H CYS 61 H CYS 61 -7.025 -19.023 1.164 404 HA CYS 61 HA CYS 61 -6.556 -21.244 -0.435 405 HB2 CYS 61 HB2 CYS 61 -5.059 -19.675 1.304 406 HB3 CYS 61 HB3 CYS 61 -4.969 -21.287 2.006 407 H THR 62 H THR 62 -7.754 -23.040 -0.354 408 HA THR 62 HA THR 62 -8.166 -24.305 2.277 409 HB THR 62 HB THR 62 -10.274 -23.526 1.182 410 HG1 THR 62 HG1 THR 62 -9.932 -26.340 1.499 411 HG21 THR 62 HG21 THR 62 -10.976 -24.244 -0.868 412 HG22 THR 62 HG22 THR 62 -10.117 -25.780 -0.745 413 HG23 THR 62 HG23 THR 62 -9.236 -24.305 -1.145 414 H LYS 63 H LYS 63 -7.646 -26.429 2.516 415 HA LYS 63 HA LYS 63 -5.825 -27.579 0.663 416 HB2 LYS 63 HB2 LYS 63 -5.867 -27.925 3.178 417 HB3 LYS 63 HB3 LYS 63 -7.222 -29.016 2.920 418 HG2 LYS 63 HG2 LYS 63 -5.916 -30.603 1.864 419 HG3 LYS 63 HG3 LYS 63 -4.662 -29.436 1.440 420 HD2 LYS 63 HD2 LYS 63 -3.716 -29.490 3.538 421 HD3 LYS 63 HD3 LYS 63 -5.220 -29.981 4.319 422 HE2 LYS 63 HE2 LYS 63 -5.002 -32.207 3.312 423 HE3 LYS 63 HE3 LYS 63 -3.489 -31.711 2.553 424 HZ1 LYS 63 HZ1 LYS 63 -4.006 -31.878 5.473 425 HZ2 LYS 63 HZ2 LYS 63 -2.564 -31.343 4.769 426 HZ3 LYS 63 HZ3 LYS 63 -3.060 -32.946 4.564 427 H VAL 64 H VAL 64 -6.235 -28.738 -1.094 428 HA VAL 64 HA VAL 64 -8.878 -30.019 -1.344 429 HB VAL 64 HB VAL 64 -8.578 -29.809 -3.808 430 HG11 VAL 64 HG11 VAL 64 -9.342 -27.586 -3.927 431 HG12 VAL 64 HG12 VAL 64 -9.829 -28.159 -2.331 432 HG13 VAL 64 HG13 VAL 64 -8.422 -27.107 -2.501 433 HG21 VAL 64 HG21 VAL 64 -6.889 -28.369 -4.721 434 HG22 VAL 64 HG22 VAL 64 -6.300 -27.962 -3.109 435 HG23 VAL 64 HG23 VAL 64 -6.098 -29.599 -3.734 436 H GLY 65 H GLY 65 -5.465 -30.444 -1.417 437 HA2 GLY 65 HA2 GLY 65 -5.864 -33.307 -1.914 438 HA3 GLY 65 HA3 GLY 65 -4.708 -32.446 -2.919 439 H GLU 66 H GLU 66 -3.222 -34.081 -2.009 440 HA GLU 66 HA GLU 66 -2.072 -33.085 0.505 441 HB2 GLU 66 HB2 GLU 66 -1.710 -35.962 0.066 442 HB3 GLU 66 HB3 GLU 66 -2.117 -35.088 1.537 443 HG2 GLU 66 HG2 GLU 66 -4.446 -34.930 0.779 444 HG3 GLU 66 HG3 GLU 66 -4.025 -35.851 -0.663 445 HA PRO 67 HA PRO 67 -0.327 -34.338 1.751 446 HB2 PRO 67 HB2 PRO 67 1.893 -32.992 2.541 447 HB3 PRO 67 HB3 PRO 67 1.925 -34.686 2.039 448 HG2 PRO 67 HG2 PRO 67 2.635 -32.233 0.477 449 HG3 PRO 67 HG3 PRO 67 3.476 -33.792 0.553 450 HD2 PRO 67 HD2 PRO 67 1.846 -33.115 -1.501 451 HD3 PRO 67 HD3 PRO 67 2.026 -34.788 -0.937 452 H ASN 68 H ASN 68 0.929 -31.307 0.343 453 HA ASN 68 HA ASN 68 -1.098 -29.852 1.909 454 HB2 ASN 68 HB2 ASN 68 1.474 -29.654 2.528 455 HB3 ASN 68 HB3 ASN 68 1.470 -28.509 1.189 456 HD21 ASN 68 HD21 ASN 68 1.802 -26.698 2.388 457 HD22 ASN 68 HD22 ASN 68 0.650 -26.072 3.513 458 H LYS 69 H LYS 69 -1.816 -30.667 -0.530 459 HA LYS 69 HA LYS 69 -1.178 -28.671 -2.525 460 HB2 LYS 69 HB2 LYS 69 -1.518 -31.014 -3.180 461 HB3 LYS 69 HB3 LYS 69 -3.171 -30.947 -2.582 462 HG2 LYS 69 HG2 LYS 69 -3.830 -29.455 -4.290 463 HG3 LYS 69 HG3 LYS 69 -2.158 -29.141 -4.759 464 HD2 LYS 69 HD2 LYS 69 -2.013 -31.615 -5.326 465 HD3 LYS 69 HD3 LYS 69 -3.770 -31.651 -5.164 466 HE2 LYS 69 HE2 LYS 69 -3.265 -31.344 -7.473 467 HE3 LYS 69 HE3 LYS 69 -3.877 -29.811 -6.855 468 HZ1 LYS 69 HZ1 LYS 69 -0.977 -30.329 -6.926 469 HZ2 LYS 69 HZ2 LYS 69 -1.796 -28.849 -6.940 470 HZ3 LYS 69 HZ3 LYS 69 -1.782 -29.820 -8.325 471 H LEU 70 H LEU 70 -1.962 -26.845 -1.253 472 HA LEU 70 HA LEU 70 -4.825 -26.643 -0.841 473 HB2 LEU 70 HB2 LEU 70 -2.436 -25.066 -0.093 474 HB3 LEU 70 HB3 LEU 70 -3.947 -24.178 -0.279 475 HG LEU 70 HG LEU 70 -4.984 -25.665 1.405 476 HD11 LEU 70 HD11 LEU 70 -2.187 -26.714 1.804 477 HD12 LEU 70 HD12 LEU 70 -3.502 -27.602 1.037 478 HD13 LEU 70 HD13 LEU 70 -3.623 -27.143 2.735 479 HD21 LEU 70 HD21 LEU 70 -3.464 -24.834 3.335 480 HD22 LEU 70 HD22 LEU 70 -4.296 -23.655 2.322 481 HD23 LEU 70 HD23 LEU 70 -2.586 -23.999 2.054 482 H ARG 71 H ARG 71 -6.122 -24.959 -1.758 483 HA ARG 71 HA ARG 71 -5.076 -23.606 -4.118 484 HB2 ARG 71 HB2 ARG 71 -7.224 -25.700 -4.153 485 HB3 ARG 71 HB3 ARG 71 -7.253 -24.385 -5.322 486 HG2 ARG 71 HG2 ARG 71 -4.744 -25.139 -5.686 487 HG3 ARG 71 HG3 ARG 71 -5.379 -26.668 -5.075 488 HD2 ARG 71 HD2 ARG 71 -7.264 -26.303 -6.807 489 HD3 ARG 71 HD3 ARG 71 -6.149 -25.150 -7.540 490 HE ARG 71 HE ARG 71 -5.984 -28.001 -7.637 491 HH11 ARG 71 HH11 ARG 71 -4.111 -25.067 -7.660 492 HH12 ARG 71 HH12 ARG 71 -2.780 -25.770 -8.517 493 HH21 ARG 71 HH21 ARG 71 -4.238 -28.938 -8.765 494 HH22 ARG 71 HH22 ARG 71 -2.853 -27.972 -9.146 495 H CYS 72 H CYS 72 -6.300 -21.805 -4.770 496 HA CYS 72 HA CYS 72 -7.644 -20.455 -2.675 497 HB2 CYS 72 HB2 CYS 72 -6.873 -19.882 -5.458 498 HB3 CYS 72 HB3 CYS 72 -8.314 -19.031 -4.908 499 H GLN 73 H GLN 73 -9.772 -20.145 -2.257 500 HA GLN 73 HA GLN 73 -11.775 -21.073 -4.155 501 HB2 GLN 73 HB2 GLN 73 -11.077 -22.974 -2.570 502 HB3 GLN 73 HB3 GLN 73 -11.895 -22.055 -1.313 503 HG2 GLN 73 HG2 GLN 73 -13.275 -23.845 -2.330 504 HG3 GLN 73 HG3 GLN 73 -13.986 -22.235 -2.438 505 HE21 GLN 73 HE21 GLN 73 -11.465 -23.754 -4.394 506 HE22 GLN 73 HE22 GLN 73 -12.310 -23.636 -5.895 507 H GLU 74 H GLU 74 -13.412 -19.684 -4.232 508 HA GLU 74 HA GLU 74 -13.534 -17.329 -2.798 509 HB2 GLU 74 HB2 GLU 74 -15.786 -18.840 -4.132 510 HB3 GLU 74 HB3 GLU 74 -15.898 -17.174 -3.580 511 HG2 GLU 74 HG2 GLU 74 -14.109 -16.544 -5.123 512 HG3 GLU 74 HG3 GLU 74 -14.014 -18.213 -5.685 513 H GLU 75 H GLU 75 -13.871 -16.968 -0.716 514 HA GLU 75 HA GLU 75 -15.017 -18.956 1.001 515 HB2 GLU 75 HB2 GLU 75 -13.186 -17.116 1.478 516 HB3 GLU 75 HB3 GLU 75 -14.585 -16.138 1.896 517 HG2 GLU 75 HG2 GLU 75 -15.268 -17.970 3.469 518 HG3 GLU 75 HG3 GLU 75 -13.701 -18.716 3.162 519 H SER 76 H SER 76 -16.839 -18.580 2.433 520 HA SER 76 HA SER 76 -19.188 -17.956 1.124 521 HB2 SER 76 HB2 SER 76 -20.272 -18.347 3.134 522 HB3 SER 76 HB3 SER 76 -18.728 -19.147 3.428 523 HG SER 76 HG SER 76 -19.703 -16.720 4.441 Start of MODEL 5 1 H1 SER 1 H SER 1 1.447 -0.133 0.751 2 HA SER 1 HA SER 1 1.171 -0.664 -2.134 3 HB2 SER 1 HB2 SER 1 2.808 1.430 -0.727 4 HB3 SER 1 HB3 SER 1 3.279 0.835 -2.318 5 HG SER 1 HG SER 1 1.670 1.887 -3.189 6 H VAL 2 H VAL 2 2.360 -2.297 -2.879 7 HA VAL 2 HA VAL 2 3.951 -3.869 -1.121 8 HB VAL 2 HB VAL 2 2.735 -4.942 -2.914 9 HG11 VAL 2 HG11 VAL 2 2.721 -3.210 -4.573 10 HG12 VAL 2 HG12 VAL 2 4.474 -3.302 -4.749 11 HG13 VAL 2 HG13 VAL 2 3.462 -4.647 -5.275 12 HG21 VAL 2 HG21 VAL 2 5.192 -5.615 -2.142 13 HG22 VAL 2 HG22 VAL 2 4.305 -6.524 -3.365 14 HG23 VAL 2 HG23 VAL 2 5.518 -5.340 -3.852 15 H THR 3 H THR 3 6.140 -4.096 -0.965 16 HA THR 3 HA THR 3 7.889 -2.608 -2.753 17 HB THR 3 HB THR 3 8.157 -2.169 0.218 18 HG1 THR 3 HG1 THR 3 7.269 -0.010 -0.403 19 HG21 THR 3 HG21 THR 3 9.187 -0.027 -1.247 20 HG22 THR 3 HG22 THR 3 9.684 -1.469 -2.132 21 HG23 THR 3 HG23 THR 3 10.103 -1.290 -0.428 22 H CYS 4 H CYS 4 9.346 -4.062 -3.350 23 HA CYS 4 HA CYS 4 10.730 -5.620 -1.309 24 HB2 CYS 4 HB2 CYS 4 9.318 -6.832 -3.690 25 HB3 CYS 4 HB3 CYS 4 10.536 -7.683 -2.745 26 H GLY 5 H GLY 5 12.789 -6.405 -1.972 27 HA2 GLY 5 HA2 GLY 5 14.795 -6.271 -3.080 28 HA3 GLY 5 HA3 GLY 5 13.857 -6.093 -4.556 29 H GLY 6 H GLY 6 13.465 -3.823 -1.953 30 HA2 GLY 6 HA2 GLY 6 14.114 -1.626 -1.711 31 HA3 GLY 6 HA3 GLY 6 15.425 -1.948 -2.835 32 H LYS 7 H LYS 7 12.181 -2.639 -3.811 33 HA LYS 7 HA LYS 7 11.925 -0.084 -5.201 34 HB2 LYS 7 HB2 LYS 7 12.254 -2.755 -6.513 35 HB3 LYS 7 HB3 LYS 7 11.226 -1.546 -7.272 36 HG2 LYS 7 HG2 LYS 7 13.982 -0.788 -6.435 37 HG3 LYS 7 HG3 LYS 7 13.751 -1.739 -7.904 38 HD2 LYS 7 HD2 LYS 7 12.541 -0.049 -8.954 39 HD3 LYS 7 HD3 LYS 7 12.157 0.755 -7.429 40 HE2 LYS 7 HE2 LYS 7 14.263 1.709 -7.257 41 HE3 LYS 7 HE3 LYS 7 14.999 0.523 -8.334 42 HZ1 LYS 7 HZ1 LYS 7 14.403 2.979 -9.098 43 HZ2 LYS 7 HZ2 LYS 7 12.936 2.229 -9.482 44 HZ3 LYS 7 HZ3 LYS 7 14.378 1.664 -10.164 45 H GLN 8 H GLN 8 9.788 0.350 -5.965 46 HA GLN 8 HA GLN 8 7.759 -1.031 -4.390 47 HB2 GLN 8 HB2 GLN 8 7.986 1.636 -5.685 48 HB3 GLN 8 HB3 GLN 8 6.374 0.951 -5.528 49 HG2 GLN 8 HG2 GLN 8 6.366 1.117 -3.260 50 HG3 GLN 8 HG3 GLN 8 8.115 0.942 -3.130 51 HE21 GLN 8 HE21 GLN 8 8.261 2.711 -1.749 52 HE22 GLN 8 HE22 GLN 8 8.091 4.334 -2.315 53 H CYS 9 H CYS 9 6.058 -2.142 -5.232 54 HA CYS 9 HA CYS 9 6.033 -2.490 -8.158 55 HB2 CYS 9 HB2 CYS 9 5.708 -4.460 -5.924 56 HB3 CYS 9 HB3 CYS 9 4.929 -4.767 -7.472 57 H LYS 10 H LYS 10 3.816 -3.506 -8.839 58 HA LYS 10 HA LYS 10 1.814 -1.571 -8.153 59 HB2 LYS 10 HB2 LYS 10 2.092 -3.777 -10.120 60 HB3 LYS 10 HB3 LYS 10 0.453 -3.328 -9.667 61 HG2 LYS 10 HG2 LYS 10 1.026 -0.967 -10.258 62 HG3 LYS 10 HG3 LYS 10 2.559 -1.566 -10.895 63 HD2 LYS 10 HD2 LYS 10 1.086 -3.175 -12.283 64 HD3 LYS 10 HD3 LYS 10 -0.224 -2.058 -11.893 65 HE2 LYS 10 HE2 LYS 10 2.363 -1.066 -13.036 66 HE3 LYS 10 HE3 LYS 10 1.100 -1.712 -14.082 67 HZ1 LYS 10 HZ1 LYS 10 -0.393 -0.057 -12.810 68 HZ2 LYS 10 HZ2 LYS 10 0.618 0.523 -14.034 69 HZ3 LYS 10 HZ3 LYS 10 1.060 0.711 -12.412 70 HA PRO 11 HA PRO 11 -0.493 -3.703 -5.091 71 HB2 PRO 11 HB2 PRO 11 -3.056 -3.150 -5.795 72 HB3 PRO 11 HB3 PRO 11 -1.967 -1.940 -5.106 73 HG2 PRO 11 HG2 PRO 11 -2.706 -2.412 -7.968 74 HG3 PRO 11 HG3 PRO 11 -2.547 -0.879 -7.092 75 HD2 PRO 11 HD2 PRO 11 -0.613 -1.827 -8.732 76 HD3 PRO 11 HD3 PRO 11 -0.250 -0.860 -7.288 77 H ASN 12 H ASN 12 -2.134 -5.389 -4.702 78 HA ASN 12 HA ASN 12 -2.939 -7.489 -5.043 79 HB2 ASN 12 HB2 ASN 12 -3.459 -6.201 -7.712 80 HB3 ASN 12 HB3 ASN 12 -3.886 -7.883 -7.418 81 HD21 ASN 12 HD21 ASN 12 -4.165 -4.775 -5.720 82 HD22 ASN 12 HD22 ASN 12 -5.820 -4.980 -5.268 83 H SER 13 H SER 13 -0.104 -7.034 -5.374 84 HA SER 13 HA SER 13 0.518 -9.434 -6.926 85 HB2 SER 13 HB2 SER 13 1.693 -6.702 -7.369 86 HB3 SER 13 HB3 SER 13 2.634 -8.150 -7.727 87 HG SER 13 HG SER 13 0.271 -7.216 -8.927 88 H CYS 14 H CYS 14 1.928 -10.737 -5.926 89 HA CYS 14 HA CYS 14 3.112 -9.789 -3.422 90 HB2 CYS 14 HB2 CYS 14 3.262 -12.066 -2.757 91 HB3 CYS 14 HB3 CYS 14 1.683 -11.882 -3.512 92 H CYS 15 H CYS 15 5.291 -10.772 -2.873 93 HA CYS 15 HA CYS 15 7.081 -10.302 -5.136 94 HB2 CYS 15 HB2 CYS 15 7.843 -10.623 -2.231 95 HB3 CYS 15 HB3 CYS 15 8.808 -9.918 -3.524 96 H VAL 16 H VAL 16 8.058 -11.916 -6.155 97 HA VAL 16 HA VAL 16 8.270 -14.518 -4.784 98 HB VAL 16 HB VAL 16 8.269 -15.490 -7.138 99 HG11 VAL 16 HG11 VAL 16 6.282 -16.094 -6.330 100 HG12 VAL 16 HG12 VAL 16 6.069 -14.553 -5.497 101 HG13 VAL 16 HG13 VAL 16 5.615 -14.711 -7.194 102 HG21 VAL 16 HG21 VAL 16 7.945 -14.210 -8.943 103 HG22 VAL 16 HG22 VAL 16 6.679 -13.267 -8.157 104 HG23 VAL 16 HG23 VAL 16 8.374 -12.854 -7.899 105 H GLN 17 H GLN 17 10.232 -15.418 -4.637 106 HA GLN 17 HA GLN 17 12.510 -13.940 -5.627 107 HB2 GLN 17 HB2 GLN 17 12.076 -15.426 -3.375 108 HB3 GLN 17 HB3 GLN 17 12.998 -16.550 -4.364 109 HG2 GLN 17 HG2 GLN 17 14.698 -15.505 -3.285 110 HG3 GLN 17 HG3 GLN 17 14.555 -14.455 -4.693 111 HE21 GLN 17 HE21 GLN 17 13.404 -12.464 -4.455 112 HE22 GLN 17 HE22 GLN 17 13.315 -11.692 -2.911 113 H ASN 18 H ASN 18 13.554 -14.336 -7.458 114 HA ASN 18 HA ASN 18 13.440 -17.033 -8.612 115 HB2 ASN 18 HB2 ASN 18 13.206 -14.582 -10.348 116 HB3 ASN 18 HB3 ASN 18 12.867 -16.259 -10.767 117 HD21 ASN 18 HD21 ASN 18 10.993 -17.256 -9.837 118 HD22 ASN 18 HD22 ASN 18 9.630 -16.288 -9.400 119 H SER 19 H SER 19 15.566 -16.183 -7.162 120 HA SER 19 HA SER 19 17.572 -14.826 -8.603 121 HB2 SER 19 HB2 SER 19 18.972 -15.309 -6.827 122 HB3 SER 19 HB3 SER 19 17.397 -15.501 -6.057 123 HG SER 19 HG SER 19 19.338 -17.334 -6.455 124 H HIS 20 H HIS 20 19.637 -15.802 -9.335 125 HA HIS 20 HA HIS 20 19.156 -18.379 -10.681 126 HB2 HIS 20 HB2 HIS 20 19.395 -16.137 -12.039 127 HB3 HIS 20 HB3 HIS 20 21.115 -16.385 -11.750 128 HD1 HIS 20 HD1 HIS 20 18.163 -18.032 -13.431 129 HD2 HIS 20 HD2 HIS 20 22.311 -18.266 -13.358 130 HE1 HIS 20 HE1 HIS 20 18.781 -19.592 -15.304 131 H GLY 21 H GLY 21 20.391 -17.783 -8.034 132 HA2 GLY 21 HA2 GLY 21 22.061 -18.823 -6.821 133 HA3 GLY 21 HA3 GLY 21 22.647 -19.538 -8.315 134 H LYS 22 H LYS 22 22.209 -16.091 -7.830 135 HA LYS 22 HA LYS 22 25.064 -15.711 -8.320 136 HB2 LYS 22 HB2 LYS 22 22.900 -13.608 -8.181 137 HB3 LYS 22 HB3 LYS 22 24.520 -13.424 -8.841 138 HG2 LYS 22 HG2 LYS 22 22.416 -15.257 -9.971 139 HG3 LYS 22 HG3 LYS 22 22.763 -13.632 -10.565 140 HD2 LYS 22 HD2 LYS 22 24.991 -14.269 -11.186 141 HD3 LYS 22 HD3 LYS 22 24.802 -15.848 -10.419 142 HE2 LYS 22 HE2 LYS 22 23.419 -16.640 -12.088 143 HE3 LYS 22 HE3 LYS 22 22.909 -15.023 -12.576 144 HZ1 LYS 22 HZ1 LYS 22 24.324 -15.492 -14.264 145 HZ2 LYS 22 HZ2 LYS 22 25.286 -16.535 -13.344 146 HZ3 LYS 22 HZ3 LYS 22 25.460 -14.861 -13.181 147 H GLY 23 H GLY 23 22.600 -15.098 -5.891 148 HA2 GLY 23 HA2 GLY 23 23.242 -15.124 -3.560 149 HA3 GLY 23 HA3 GLY 23 24.756 -14.359 -4.021 150 H LYS 24 H LYS 24 22.021 -13.120 -5.622 151 HA LYS 24 HA LYS 24 21.854 -10.886 -3.709 152 HB2 LYS 24 HB2 LYS 24 22.284 -10.869 -6.656 153 HB3 LYS 24 HB3 LYS 24 21.280 -9.599 -5.969 154 HG2 LYS 24 HG2 LYS 24 23.990 -10.196 -4.847 155 HG3 LYS 24 HG3 LYS 24 23.791 -9.162 -6.265 156 HD2 LYS 24 HD2 LYS 24 22.169 -8.641 -3.808 157 HD3 LYS 24 HD3 LYS 24 23.853 -8.112 -3.874 158 HE2 LYS 24 HE2 LYS 24 21.712 -7.399 -5.876 159 HE3 LYS 24 HE3 LYS 24 22.288 -6.350 -4.581 160 HZ1 LYS 24 HZ1 LYS 24 23.424 -5.712 -6.527 161 HZ2 LYS 24 HZ2 LYS 24 23.798 -7.309 -6.942 162 HZ3 LYS 24 HZ3 LYS 24 24.547 -6.584 -5.610 163 H ASP 25 H ASP 25 19.931 -11.247 -2.758 164 HA ASP 25 HA ASP 25 17.698 -12.479 -3.825 165 HB2 ASP 25 HB2 ASP 25 17.760 -10.263 -1.764 166 HB3 ASP 25 HB3 ASP 25 16.412 -11.362 -2.046 167 H SER 26 H SER 26 16.780 -11.947 -5.703 168 HA SER 26 HA SER 26 15.969 -9.145 -6.090 169 HB2 SER 26 HB2 SER 26 16.390 -9.403 -8.514 170 HB3 SER 26 HB3 SER 26 17.865 -9.598 -7.566 171 HG SER 26 HG SER 26 18.035 -11.539 -8.330 172 HA PRO 27 HA PRO 27 12.229 -11.805 -6.273 173 HB2 PRO 27 HB2 PRO 27 10.605 -9.954 -5.131 174 HB3 PRO 27 HB3 PRO 27 11.607 -11.064 -4.189 175 HG2 PRO 27 HG2 PRO 27 12.114 -8.203 -4.911 176 HG3 PRO 27 HG3 PRO 27 12.370 -9.028 -3.362 177 HD2 PRO 27 HD2 PRO 27 14.388 -8.526 -5.097 178 HD3 PRO 27 HD3 PRO 27 14.368 -9.954 -4.043 179 H ARG 28 H ARG 28 10.132 -11.387 -7.322 180 HA ARG 28 HA ARG 28 10.256 -9.186 -9.275 181 HB2 ARG 28 HB2 ARG 28 10.743 -11.662 -10.060 182 HB3 ARG 28 HB3 ARG 28 8.989 -11.786 -10.023 183 HG2 ARG 28 HG2 ARG 28 8.717 -10.208 -11.709 184 HG3 ARG 28 HG3 ARG 28 10.341 -9.555 -11.487 185 HD2 ARG 28 HD2 ARG 28 11.296 -11.622 -12.368 186 HD3 ARG 28 HD3 ARG 28 9.678 -12.294 -12.565 187 HE ARG 28 HE ARG 28 9.966 -9.828 -13.956 188 HH11 ARG 28 HH11 ARG 28 10.724 -13.222 -14.116 189 HH12 ARG 28 HH12 ARG 28 10.791 -13.258 -15.846 190 HH21 ARG 28 HH21 ARG 28 10.052 -9.863 -16.235 191 HH22 ARG 28 HH22 ARG 28 10.411 -11.348 -17.051 192 H CYS 29 H CYS 29 8.029 -8.933 -10.381 193 HA CYS 29 HA CYS 29 6.012 -8.892 -8.246 194 HB2 CYS 29 HB2 CYS 29 5.951 -7.340 -10.836 195 HB3 CYS 29 HB3 CYS 29 4.977 -7.066 -9.395 196 H HIS 30 H HIS 30 4.475 -10.378 -8.324 197 HA HIS 30 HA HIS 30 3.558 -11.325 -10.957 198 HB2 HIS 30 HB2 HIS 30 4.785 -12.845 -8.881 199 HB3 HIS 30 HB3 HIS 30 3.098 -13.342 -8.994 200 HD1 HIS 30 HD1 HIS 30 5.562 -12.449 -11.754 201 HD2 HIS 30 HD2 HIS 30 3.157 -15.592 -10.492 202 HE1 HIS 30 HE1 HIS 30 5.794 -14.225 -13.521 203 HA PRO 31 HA PRO 31 -0.495 -10.232 -9.663 204 HB2 PRO 31 HB2 PRO 31 -1.956 -11.978 -11.140 205 HB3 PRO 31 HB3 PRO 31 -1.136 -10.578 -11.842 206 HG2 PRO 31 HG2 PRO 31 -0.272 -13.443 -11.778 207 HG3 PRO 31 HG3 PRO 31 -0.192 -12.281 -13.113 208 HD2 PRO 31 HD2 PRO 31 1.957 -12.894 -11.584 209 HD3 PRO 31 HD3 PRO 31 1.721 -11.286 -12.298 210 H LEU 32 H LEU 32 -2.147 -10.857 -8.282 211 HA LEU 32 HA LEU 32 -1.588 -12.868 -6.410 212 HB2 LEU 32 HB2 LEU 32 -4.000 -11.208 -7.024 213 HB3 LEU 32 HB3 LEU 32 -4.092 -12.498 -5.825 214 HG LEU 32 HG LEU 32 -2.093 -10.253 -5.661 215 HD11 LEU 32 HD11 LEU 32 -3.710 -9.415 -3.862 216 HD12 LEU 32 HD12 LEU 32 -4.920 -10.406 -4.676 217 HD13 LEU 32 HD13 LEU 32 -4.117 -9.100 -5.548 218 HD21 LEU 32 HD21 LEU 32 -1.639 -11.005 -3.525 219 HD22 LEU 32 HD22 LEU 32 -1.883 -12.517 -4.402 220 HD23 LEU 32 HD23 LEU 32 -3.173 -11.866 -3.389 221 H GLY 33 H GLY 33 -2.864 -14.772 -5.893 222 HA2 GLY 33 HA2 GLY 33 -3.278 -16.413 -8.199 223 HA3 GLY 33 HA3 GLY 33 -3.549 -16.880 -6.527 224 H LYS 34 H LYS 34 -5.209 -17.574 -8.731 225 HA LYS 34 HA LYS 34 -7.635 -15.998 -8.192 226 HB2 LYS 34 HB2 LYS 34 -8.500 -16.770 -10.295 227 HB3 LYS 34 HB3 LYS 34 -6.874 -16.156 -10.565 228 HG2 LYS 34 HG2 LYS 34 -5.987 -18.371 -10.703 229 HG3 LYS 34 HG3 LYS 34 -7.529 -19.071 -10.207 230 HD2 LYS 34 HD2 LYS 34 -7.594 -19.357 -12.498 231 HD3 LYS 34 HD3 LYS 34 -8.456 -17.830 -12.301 232 HE2 LYS 34 HE2 LYS 34 -6.661 -16.575 -13.081 233 HE3 LYS 34 HE3 LYS 34 -5.499 -17.862 -12.764 234 HZ1 LYS 34 HZ1 LYS 34 -7.109 -17.383 -15.096 235 HZ2 LYS 34 HZ2 LYS 34 -7.174 -18.986 -14.564 236 HZ3 LYS 34 HZ3 LYS 34 -5.682 -18.277 -14.933 237 H LEU 35 H LEU 35 -9.619 -17.663 -8.849 238 HA LEU 35 HA LEU 35 -9.761 -19.411 -6.604 239 HB2 LEU 35 HB2 LEU 35 -11.772 -18.385 -7.245 240 HB3 LEU 35 HB3 LEU 35 -11.568 -18.849 -8.932 241 HG LEU 35 HG LEU 35 -11.977 -21.211 -8.276 242 HD11 LEU 35 HD11 LEU 35 -13.135 -20.352 -5.695 243 HD12 LEU 35 HD12 LEU 35 -11.379 -20.491 -5.775 244 HD13 LEU 35 HD13 LEU 35 -12.391 -21.883 -6.157 245 HD21 LEU 35 HD21 LEU 35 -14.182 -19.313 -7.484 246 HD22 LEU 35 HD22 LEU 35 -14.367 -20.977 -8.039 247 HD23 LEU 35 HD23 LEU 35 -13.764 -19.740 -9.143 248 H ASN 36 H ASN 36 -9.930 -21.666 -6.561 249 HA ASN 36 HA ASN 36 -9.275 -23.781 -7.090 250 HB2 ASN 36 HB2 ASN 36 -10.415 -22.772 -9.678 251 HB3 ASN 36 HB3 ASN 36 -9.704 -24.381 -9.590 252 HD21 ASN 36 HD21 ASN 36 -12.524 -23.119 -9.796 253 HD22 ASN 36 HD22 ASN 36 -13.447 -24.067 -8.683 254 H ASN 37 H ASN 37 -7.240 -21.773 -7.088 255 HA ASN 37 HA ASN 37 -5.366 -22.956 -9.030 256 HB2 ASN 37 HB2 ASN 37 -6.059 -20.173 -8.584 257 HB3 ASN 37 HB3 ASN 37 -4.335 -20.448 -8.349 258 HD21 ASN 37 HD21 ASN 37 -6.936 -21.333 -10.593 259 HD22 ASN 37 HD22 ASN 37 -5.989 -21.154 -12.028 260 HA PRO 38 HA PRO 38 -2.688 -23.965 -5.704 261 HB2 PRO 38 HB2 PRO 38 -0.238 -23.492 -6.773 262 HB3 PRO 38 HB3 PRO 38 -1.252 -24.855 -7.261 263 HG2 PRO 38 HG2 PRO 38 -0.859 -22.210 -8.605 264 HG3 PRO 38 HG3 PRO 38 -0.932 -23.829 -9.322 265 HD2 PRO 38 HD2 PRO 38 -3.038 -22.128 -9.352 266 HD3 PRO 38 HD3 PRO 38 -3.235 -23.890 -9.264 267 H CYS 39 H CYS 39 -2.566 -22.774 -3.911 268 HA CYS 39 HA CYS 39 -1.045 -20.261 -4.001 269 HB2 CYS 39 HB2 CYS 39 -2.641 -19.122 -2.628 270 HB3 CYS 39 HB3 CYS 39 -3.527 -19.831 -3.975 271 H GLU 40 H GLU 40 -0.542 -19.513 -1.685 272 HA GLU 40 HA GLU 40 0.033 -21.850 0.012 273 HB2 GLU 40 HB2 GLU 40 2.108 -21.273 -1.027 274 HB3 GLU 40 HB3 GLU 40 1.863 -19.562 -0.709 275 HG2 GLU 40 HG2 GLU 40 2.282 -19.816 1.586 276 HG3 GLU 40 HG3 GLU 40 2.124 -21.569 1.503 277 H VAL 41 H VAL 41 0.016 -21.513 2.244 278 HA VAL 41 HA VAL 41 -1.873 -19.716 3.235 279 HB VAL 41 HB VAL 41 0.359 -20.949 4.850 280 HG11 VAL 41 HG11 VAL 41 -0.664 -19.674 6.406 281 HG12 VAL 41 HG12 VAL 41 -2.160 -19.549 5.476 282 HG13 VAL 41 HG13 VAL 41 -1.827 -21.000 6.423 283 HG21 VAL 41 HG21 VAL 41 -1.815 -22.202 3.403 284 HG22 VAL 41 HG22 VAL 41 -0.442 -22.935 4.230 285 HG23 VAL 41 HG23 VAL 41 -1.901 -22.532 5.132 286 H GLU 42 H GLU 42 1.635 -19.636 3.903 287 HA GLU 42 HA GLU 42 1.566 -16.718 3.713 288 HB2 GLU 42 HB2 GLU 42 2.513 -16.332 5.831 289 HB3 GLU 42 HB3 GLU 42 1.227 -17.494 6.124 290 HG2 GLU 42 HG2 GLU 42 2.871 -19.302 6.165 291 HG3 GLU 42 HG3 GLU 42 4.158 -18.132 5.880 292 HA PRO 43 HA PRO 43 5.444 -17.185 1.710 293 HB2 PRO 43 HB2 PRO 43 6.663 -14.853 2.374 294 HB3 PRO 43 HB3 PRO 43 5.325 -14.944 1.222 295 HG2 PRO 43 HG2 PRO 43 5.283 -14.181 4.117 296 HG3 PRO 43 HG3 PRO 43 4.443 -13.428 2.750 297 HD2 PRO 43 HD2 PRO 43 3.210 -15.126 4.461 298 HD3 PRO 43 HD3 PRO 43 2.766 -15.010 2.746 299 H ASN 44 H ASN 44 7.924 -16.459 2.306 300 HA ASN 44 HA ASN 44 8.658 -18.260 4.409 301 HB2 ASN 44 HB2 ASN 44 10.636 -16.404 3.152 302 HB3 ASN 44 HB3 ASN 44 10.820 -18.097 3.603 303 HD21 ASN 44 HD21 ASN 44 10.924 -16.234 1.056 304 HD22 ASN 44 HD22 ASN 44 10.229 -17.254 -0.153 305 H GLU 45 H GLU 45 10.842 -17.157 5.602 306 HA GLU 45 HA GLU 45 9.694 -15.615 7.670 307 HB2 GLU 45 HB2 GLU 45 11.911 -15.510 8.611 308 HB3 GLU 45 HB3 GLU 45 11.648 -17.120 7.956 309 HG2 GLU 45 HG2 GLU 45 12.962 -16.587 6.005 310 HG3 GLU 45 HG3 GLU 45 13.153 -14.923 6.555 311 H ASN 46 H ASN 46 11.139 -14.764 4.666 312 HA ASN 46 HA ASN 46 11.571 -11.993 5.476 313 HB2 ASN 46 HB2 ASN 46 12.097 -13.380 2.838 314 HB3 ASN 46 HB3 ASN 46 12.526 -11.714 3.213 315 HD21 ASN 46 HD21 ASN 46 13.498 -11.929 5.746 316 HD22 ASN 46 HD22 ASN 46 14.931 -12.894 5.747 317 H GLY 47 H GLY 47 9.311 -13.967 3.743 318 HA2 GLY 47 HA2 GLY 47 7.058 -13.205 3.431 319 HA3 GLY 47 HA3 GLY 47 7.676 -11.569 3.257 320 H ILE 48 H ILE 48 9.160 -14.291 1.652 321 HA ILE 48 HA ILE 48 8.258 -13.178 -0.919 322 HB ILE 48 HB ILE 48 10.581 -15.052 -0.656 323 HG12 ILE 48 HG12 ILE 48 11.026 -13.272 0.954 324 HG13 ILE 48 HG13 ILE 48 12.073 -13.093 -0.450 325 HG21 ILE 48 HG21 ILE 48 9.769 -12.917 -2.616 326 HG22 ILE 48 HG22 ILE 48 11.340 -13.717 -2.644 327 HG23 ILE 48 HG23 ILE 48 9.867 -14.656 -2.889 328 HD11 ILE 48 HD11 ILE 48 9.524 -11.553 -0.030 329 HD12 ILE 48 HD12 ILE 48 11.134 -10.966 0.389 330 HD13 ILE 48 HD13 ILE 48 10.729 -11.303 -1.293 331 H TYR 49 H TYR 49 7.796 -14.661 -2.653 332 HA TYR 49 HA TYR 49 6.803 -17.258 -1.677 333 HB2 TYR 49 HB2 TYR 49 5.692 -15.327 -3.693 334 HB3 TYR 49 HB3 TYR 49 5.255 -17.031 -3.751 335 HD1 TYR 49 HD1 TYR 49 5.070 -13.955 -1.722 336 HD2 TYR 49 HD2 TYR 49 3.730 -17.968 -2.172 337 HE1 TYR 49 HE1 TYR 49 3.336 -13.560 -0.023 338 HE2 TYR 49 HE2 TYR 49 1.991 -17.584 -0.475 339 HH TYR 49 HH TYR 49 1.400 -16.151 1.263 340 H SER 50 H SER 50 6.340 -18.658 -3.856 341 HA SER 50 HA SER 50 9.000 -18.983 -5.031 342 HB2 SER 50 HB2 SER 50 6.725 -20.788 -4.444 343 HB3 SER 50 HB3 SER 50 7.640 -21.148 -5.908 344 HG SER 50 HG SER 50 8.305 -21.609 -3.352 345 H GLN 51 H GLN 51 5.842 -19.827 -6.394 346 HA GLN 51 HA GLN 51 6.504 -18.187 -8.750 347 HB2 GLN 51 HB2 GLN 51 5.073 -20.850 -8.761 348 HB3 GLN 51 HB3 GLN 51 5.473 -19.877 -10.170 349 HG2 GLN 51 HG2 GLN 51 7.450 -21.168 -8.303 350 HG3 GLN 51 HG3 GLN 51 7.003 -21.750 -9.905 351 HE21 GLN 51 HE21 GLN 51 7.034 -19.613 -11.466 352 HE22 GLN 51 HE22 GLN 51 8.591 -18.866 -11.493 353 H HIS 52 H HIS 52 3.758 -19.919 -7.267 354 HA HIS 52 HA HIS 52 1.854 -18.072 -8.365 355 HB2 HIS 52 HB2 HIS 52 1.336 -20.073 -6.170 356 HB3 HIS 52 HB3 HIS 52 0.184 -19.407 -7.322 357 HD1 HIS 52 HD1 HIS 52 1.759 -22.440 -6.692 358 HD2 HIS 52 HD2 HIS 52 1.278 -20.172 -10.140 359 HE1 HIS 52 HE1 HIS 52 2.077 -24.045 -8.601 360 H CYS 53 H CYS 53 0.354 -16.809 -7.065 361 HA CYS 53 HA CYS 53 1.696 -15.656 -4.714 362 HB2 CYS 53 HB2 CYS 53 -0.077 -14.506 -6.834 363 HB3 CYS 53 HB3 CYS 53 -0.040 -13.751 -5.242 364 HA PRO 54 HA PRO 54 -1.530 -16.852 -1.994 365 HB2 PRO 54 HB2 PRO 54 -1.750 -14.684 -0.375 366 HB3 PRO 54 HB3 PRO 54 -0.373 -15.791 -0.315 367 HG2 PRO 54 HG2 PRO 54 -0.605 -13.126 -1.661 368 HG3 PRO 54 HG3 PRO 54 0.736 -13.784 -0.706 369 HD2 PRO 54 HD2 PRO 54 0.752 -13.757 -3.414 370 HD3 PRO 54 HD3 PRO 54 1.543 -15.034 -2.467 371 H CYS 55 H CYS 55 -3.694 -16.255 -1.149 372 HA CYS 55 HA CYS 55 -5.353 -15.283 -3.240 373 HB2 CYS 55 HB2 CYS 55 -5.980 -15.933 -0.353 374 HB3 CYS 55 HB3 CYS 55 -7.192 -15.570 -1.577 375 H GLY 56 H GLY 56 -6.210 -13.317 -3.593 376 HA2 GLY 56 HA2 GLY 56 -6.313 -11.336 -1.473 377 HA3 GLY 56 HA3 GLY 56 -5.193 -10.973 -2.779 378 H GLU 57 H GLU 57 -8.020 -12.748 -3.600 379 HA GLU 57 HA GLU 57 -9.315 -10.293 -4.578 380 HB2 GLU 57 HB2 GLU 57 -9.843 -11.333 -6.669 381 HB3 GLU 57 HB3 GLU 57 -8.116 -11.521 -6.400 382 HG2 GLU 57 HG2 GLU 57 -8.404 -13.811 -5.756 383 HG3 GLU 57 HG3 GLU 57 -10.158 -13.649 -5.809 384 H GLY 58 H GLY 58 -9.784 -12.010 -2.207 385 HA2 GLY 58 HA2 GLY 58 -11.865 -12.293 -1.114 386 HA3 GLY 58 HA3 GLY 58 -12.641 -12.445 -2.683 387 H LEU 59 H LEU 59 -9.739 -14.226 -2.084 388 HA LEU 59 HA LEU 59 -11.335 -16.695 -1.960 389 HB2 LEU 59 HB2 LEU 59 -8.483 -16.365 -2.875 390 HB3 LEU 59 HB3 LEU 59 -9.452 -17.835 -2.957 391 HG LEU 59 HG LEU 59 -10.355 -15.392 -4.423 392 HD11 LEU 59 HD11 LEU 59 -9.056 -16.057 -6.366 393 HD12 LEU 59 HD12 LEU 59 -8.289 -17.342 -5.432 394 HD13 LEU 59 HD13 LEU 59 -7.995 -15.654 -5.016 395 HD21 LEU 59 HD21 LEU 59 -10.529 -18.321 -5.108 396 HD22 LEU 59 HD22 LEU 59 -11.398 -16.985 -5.864 397 HD23 LEU 59 HD23 LEU 59 -11.762 -17.447 -4.200 398 H SER 60 H SER 60 -9.883 -18.558 -0.984 399 HA SER 60 HA SER 60 -8.281 -17.688 1.271 400 HB2 SER 60 HB2 SER 60 -10.921 -17.854 1.777 401 HB3 SER 60 HB3 SER 60 -10.470 -19.537 2.049 402 HG SER 60 HG SER 60 -8.981 -18.853 3.587 403 H CYS 61 H CYS 61 -6.612 -19.021 1.410 404 HA CYS 61 HA CYS 61 -6.261 -21.298 -0.139 405 HB2 CYS 61 HB2 CYS 61 -4.845 -20.009 2.090 406 HB3 CYS 61 HB3 CYS 61 -4.565 -21.742 1.969 407 H THR 62 H THR 62 -7.416 -23.104 -0.065 408 HA THR 62 HA THR 62 -7.944 -24.320 2.562 409 HB THR 62 HB THR 62 -10.021 -23.280 1.642 410 HG1 THR 62 HG1 THR 62 -10.262 -26.105 1.622 411 HG21 THR 62 HG21 THR 62 -9.726 -25.386 -0.502 412 HG22 THR 62 HG22 THR 62 -9.557 -23.647 -0.741 413 HG23 THR 62 HG23 THR 62 -11.116 -24.326 -0.273 414 H LYS 63 H LYS 63 -7.557 -26.466 2.711 415 HA LYS 63 HA LYS 63 -6.021 -27.741 0.710 416 HB2 LYS 63 HB2 LYS 63 -5.959 -28.187 3.205 417 HB3 LYS 63 HB3 LYS 63 -7.443 -29.107 2.995 418 HG2 LYS 63 HG2 LYS 63 -6.299 -30.624 1.469 419 HG3 LYS 63 HG3 LYS 63 -4.809 -29.695 1.658 420 HD2 LYS 63 HD2 LYS 63 -4.398 -30.521 3.735 421 HD3 LYS 63 HD3 LYS 63 -6.111 -30.656 4.139 422 HE2 LYS 63 HE2 LYS 63 -6.227 -32.588 2.535 423 HE3 LYS 63 HE3 LYS 63 -4.469 -32.511 2.423 424 HZ1 LYS 63 HZ1 LYS 63 -4.920 -32.548 5.094 425 HZ2 LYS 63 HZ2 LYS 63 -4.495 -33.889 4.155 426 HZ3 LYS 63 HZ3 LYS 63 -6.120 -33.588 4.510 427 H VAL 64 H VAL 64 -6.610 -28.892 -1.009 428 HA VAL 64 HA VAL 64 -9.415 -29.782 -1.194 429 HB VAL 64 HB VAL 64 -9.256 -29.547 -3.619 430 HG11 VAL 64 HG11 VAL 64 -9.797 -27.602 -1.972 431 HG12 VAL 64 HG12 VAL 64 -8.272 -26.936 -2.554 432 HG13 VAL 64 HG13 VAL 64 -9.582 -27.266 -3.688 433 HG21 VAL 64 HG21 VAL 64 -6.822 -29.983 -3.785 434 HG22 VAL 64 HG22 VAL 64 -7.336 -28.563 -4.696 435 HG23 VAL 64 HG23 VAL 64 -6.521 -28.367 -3.145 436 H GLY 65 H GLY 65 -6.084 -30.668 -1.425 437 HA2 GLY 65 HA2 GLY 65 -6.886 -33.460 -1.791 438 HA3 GLY 65 HA3 GLY 65 -5.740 -32.789 -2.942 439 H GLU 66 H GLU 66 -4.450 -34.634 -2.059 440 HA GLU 66 HA GLU 66 -3.036 -33.802 0.390 441 HB2 GLU 66 HB2 GLU 66 -2.396 -36.366 0.354 442 HB3 GLU 66 HB3 GLU 66 -3.899 -35.811 1.076 443 HG2 GLU 66 HG2 GLU 66 -5.164 -36.496 -0.794 444 HG3 GLU 66 HG3 GLU 66 -3.719 -36.740 -1.772 445 HA PRO 67 HA PRO 67 -1.247 -35.183 1.400 446 HB2 PRO 67 HB2 PRO 67 1.025 -33.940 2.215 447 HB3 PRO 67 HB3 PRO 67 1.013 -35.570 1.534 448 HG2 PRO 67 HG2 PRO 67 1.670 -32.968 0.208 449 HG3 PRO 67 HG3 PRO 67 2.497 -34.531 0.074 450 HD2 PRO 67 HD2 PRO 67 0.773 -33.630 -1.809 451 HD3 PRO 67 HD3 PRO 67 0.963 -35.355 -1.438 452 H ASN 68 H ASN 68 -0.033 -32.025 0.261 453 HA ASN 68 HA ASN 68 -2.024 -30.730 1.994 454 HB2 ASN 68 HB2 ASN 68 0.330 -30.649 2.944 455 HB3 ASN 68 HB3 ASN 68 0.759 -29.640 1.566 456 HD21 ASN 68 HD21 ASN 68 -1.603 -29.872 4.192 457 HD22 ASN 68 HD22 ASN 68 -1.716 -28.170 4.473 458 H LYS 69 H LYS 69 -2.462 -31.266 -0.674 459 HA LYS 69 HA LYS 69 -1.704 -29.170 -2.415 460 HB2 LYS 69 HB2 LYS 69 -2.624 -31.475 -3.026 461 HB3 LYS 69 HB3 LYS 69 -4.216 -30.815 -2.675 462 HG2 LYS 69 HG2 LYS 69 -4.278 -29.601 -4.567 463 HG3 LYS 69 HG3 LYS 69 -2.555 -29.222 -4.509 464 HD2 LYS 69 HD2 LYS 69 -1.975 -31.336 -5.427 465 HD3 LYS 69 HD3 LYS 69 -3.617 -31.950 -5.220 466 HE2 LYS 69 HE2 LYS 69 -3.118 -31.363 -7.557 467 HE3 LYS 69 HE3 LYS 69 -4.439 -30.404 -6.890 468 HZ1 LYS 69 HZ1 LYS 69 -2.784 -29.124 -8.210 469 HZ2 LYS 69 HZ2 LYS 69 -1.631 -29.457 -7.019 470 HZ3 LYS 69 HZ3 LYS 69 -3.005 -28.548 -6.635 471 H LEU 70 H LEU 70 -2.078 -27.205 -1.369 472 HA LEU 70 HA LEU 70 -4.766 -26.529 -0.517 473 HB2 LEU 70 HB2 LEU 70 -2.078 -25.410 -0.206 474 HB3 LEU 70 HB3 LEU 70 -3.341 -24.199 -0.421 475 HG LEU 70 HG LEU 70 -4.509 -25.009 1.532 476 HD11 LEU 70 HD11 LEU 70 -3.510 -26.775 2.942 477 HD12 LEU 70 HD12 LEU 70 -2.333 -27.091 1.667 478 HD13 LEU 70 HD13 LEU 70 -4.050 -27.368 1.371 479 HD21 LEU 70 HD21 LEU 70 -3.221 -23.757 2.841 480 HD22 LEU 70 HD22 LEU 70 -2.034 -23.735 1.536 481 HD23 LEU 70 HD23 LEU 70 -1.921 -24.950 2.810 482 H ARG 71 H ARG 71 -6.187 -25.254 -1.579 483 HA ARG 71 HA ARG 71 -5.311 -23.946 -4.058 484 HB2 ARG 71 HB2 ARG 71 -6.668 -26.294 -4.142 485 HB3 ARG 71 HB3 ARG 71 -8.006 -25.152 -4.127 486 HG2 ARG 71 HG2 ARG 71 -7.636 -25.421 -6.378 487 HG3 ARG 71 HG3 ARG 71 -6.679 -23.979 -6.028 488 HD2 ARG 71 HD2 ARG 71 -5.248 -25.291 -7.315 489 HD3 ARG 71 HD3 ARG 71 -4.730 -25.610 -5.660 490 HE ARG 71 HE ARG 71 -5.336 -27.789 -5.947 491 HH11 ARG 71 HH11 ARG 71 -6.939 -25.859 -8.361 492 HH12 ARG 71 HH12 ARG 71 -7.603 -27.223 -9.198 493 HH21 ARG 71 HH21 ARG 71 -6.206 -29.593 -7.040 494 HH22 ARG 71 HH22 ARG 71 -7.187 -29.346 -8.445 495 H CYS 72 H CYS 72 -6.432 -22.083 -4.616 496 HA CYS 72 HA CYS 72 -7.556 -20.615 -2.471 497 HB2 CYS 72 HB2 CYS 72 -6.915 -20.137 -5.301 498 HB3 CYS 72 HB3 CYS 72 -8.278 -19.200 -4.700 499 H GLN 73 H GLN 73 -9.628 -20.192 -1.914 500 HA GLN 73 HA GLN 73 -11.797 -21.039 -3.669 501 HB2 GLN 73 HB2 GLN 73 -11.098 -22.911 -2.029 502 HB3 GLN 73 HB3 GLN 73 -11.836 -21.903 -0.792 503 HG2 GLN 73 HG2 GLN 73 -13.332 -23.662 -1.667 504 HG3 GLN 73 HG3 GLN 73 -13.967 -22.030 -1.867 505 HE21 GLN 73 HE21 GLN 73 -11.560 -23.779 -3.771 506 HE22 GLN 73 HE22 GLN 73 -12.436 -23.723 -5.259 507 H GLU 74 H GLU 74 -13.344 -19.549 -3.708 508 HA GLU 74 HA GLU 74 -13.241 -17.146 -2.356 509 HB2 GLU 74 HB2 GLU 74 -15.549 -18.599 -3.635 510 HB3 GLU 74 HB3 GLU 74 -15.733 -16.997 -2.935 511 HG2 GLU 74 HG2 GLU 74 -14.197 -16.055 -4.484 512 HG3 GLU 74 HG3 GLU 74 -13.717 -17.648 -5.068 513 H GLU 75 H GLU 75 -13.423 -16.704 -0.270 514 HA GLU 75 HA GLU 75 -14.454 -18.536 1.629 515 HB2 GLU 75 HB2 GLU 75 -12.738 -16.536 1.857 516 HB3 GLU 75 HB3 GLU 75 -14.188 -15.634 2.278 517 HG2 GLU 75 HG2 GLU 75 -14.577 -17.647 3.915 518 HG3 GLU 75 HG3 GLU 75 -12.833 -17.839 3.740 519 H SER 76 H SER 76 -16.256 -18.224 3.064 520 HA SER 76 HA SER 76 -18.673 -17.743 1.770 521 HB2 SER 76 HB2 SER 76 -18.772 -19.100 3.695 522 HB3 SER 76 HB3 SER 76 -17.930 -17.908 4.686 523 HG SER 76 HG SER 76 -20.563 -18.193 4.273 Start of MODEL 6 1 H1 SER 1 H SER 1 2.264 1.280 0.646 2 HA SER 1 HA SER 1 1.195 -0.501 -1.289 3 HB2 SER 1 HB2 SER 1 3.738 1.107 -1.574 4 HB3 SER 1 HB3 SER 1 2.648 0.570 -2.853 5 HG SER 1 HG SER 1 1.098 2.003 -2.087 6 H VAL 2 H VAL 2 2.693 -1.815 -2.737 7 HA VAL 2 HA VAL 2 4.140 -3.677 -1.039 8 HB VAL 2 HB VAL 2 3.522 -3.827 -3.993 9 HG11 VAL 2 HG11 VAL 2 5.003 -5.590 -2.129 10 HG12 VAL 2 HG12 VAL 2 3.936 -6.363 -3.302 11 HG13 VAL 2 HG13 VAL 2 5.239 -5.310 -3.853 12 HG21 VAL 2 HG21 VAL 2 1.439 -4.103 -3.147 13 HG22 VAL 2 HG22 VAL 2 2.018 -5.749 -2.891 14 HG23 VAL 2 HG23 VAL 2 2.029 -4.594 -1.558 15 H THR 3 H THR 3 6.295 -3.974 -1.009 16 HA THR 3 HA THR 3 7.931 -2.543 -2.992 17 HB THR 3 HB THR 3 8.668 -2.680 -0.069 18 HG1 THR 3 HG1 THR 3 7.060 -0.863 -1.468 19 HG21 THR 3 HG21 THR 3 10.008 -1.842 -2.470 20 HG22 THR 3 HG22 THR 3 10.630 -1.936 -0.823 21 HG23 THR 3 HG23 THR 3 9.816 -0.473 -1.377 22 H CYS 4 H CYS 4 8.946 -4.088 -4.094 23 HA CYS 4 HA CYS 4 10.262 -6.239 -2.573 24 HB2 CYS 4 HB2 CYS 4 9.076 -6.597 -5.327 25 HB3 CYS 4 HB3 CYS 4 9.721 -7.844 -4.264 26 H GLY 5 H GLY 5 12.339 -6.699 -3.120 27 HA2 GLY 5 HA2 GLY 5 14.386 -6.510 -4.147 28 HA3 GLY 5 HA3 GLY 5 13.528 -6.036 -5.605 29 H GLY 6 H GLY 6 12.894 -4.163 -2.800 30 HA2 GLY 6 HA2 GLY 6 13.896 -2.171 -2.043 31 HA3 GLY 6 HA3 GLY 6 14.968 -2.209 -3.435 32 H LYS 7 H LYS 7 12.452 -2.768 -5.102 33 HA LYS 7 HA LYS 7 11.650 0.054 -5.324 34 HB2 LYS 7 HB2 LYS 7 12.022 -2.133 -7.330 35 HB3 LYS 7 HB3 LYS 7 10.870 -0.849 -7.674 36 HG2 LYS 7 HG2 LYS 7 13.704 -0.261 -6.889 37 HG3 LYS 7 HG3 LYS 7 13.241 -0.581 -8.562 38 HD2 LYS 7 HD2 LYS 7 11.445 1.243 -8.154 39 HD3 LYS 7 HD3 LYS 7 12.458 1.700 -6.783 40 HE2 LYS 7 HE2 LYS 7 13.681 1.342 -9.486 41 HE3 LYS 7 HE3 LYS 7 12.814 2.829 -9.107 42 HZ1 LYS 7 HZ1 LYS 7 15.364 1.861 -8.102 43 HZ2 LYS 7 HZ2 LYS 7 14.368 2.628 -6.970 44 HZ3 LYS 7 HZ3 LYS 7 14.837 3.445 -8.374 45 H GLN 8 H GLN 8 9.453 0.557 -5.786 46 HA GLN 8 HA GLN 8 7.602 -1.175 -4.416 47 HB2 GLN 8 HB2 GLN 8 7.532 1.590 -5.520 48 HB3 GLN 8 HB3 GLN 8 5.999 0.758 -5.299 49 HG2 GLN 8 HG2 GLN 8 6.204 0.695 -3.011 50 HG3 GLN 8 HG3 GLN 8 7.960 0.832 -3.058 51 HE21 GLN 8 HE21 GLN 8 8.471 2.627 -2.022 52 HE22 GLN 8 HE22 GLN 8 7.757 4.180 -2.273 53 H CYS 9 H CYS 9 5.828 -2.222 -5.274 54 HA CYS 9 HA CYS 9 5.752 -2.410 -8.215 55 HB2 CYS 9 HB2 CYS 9 5.393 -4.573 -6.139 56 HB3 CYS 9 HB3 CYS 9 4.912 -4.775 -7.821 57 H LYS 10 H LYS 10 3.654 -3.016 -9.120 58 HA LYS 10 HA LYS 10 1.583 -1.373 -8.248 59 HB2 LYS 10 HB2 LYS 10 1.845 -3.587 -10.206 60 HB3 LYS 10 HB3 LYS 10 0.212 -3.176 -9.699 61 HG2 LYS 10 HG2 LYS 10 0.715 -0.802 -10.320 62 HG3 LYS 10 HG3 LYS 10 2.227 -1.381 -11.023 63 HD2 LYS 10 HD2 LYS 10 0.972 -2.842 -12.528 64 HD3 LYS 10 HD3 LYS 10 -0.543 -2.284 -11.814 65 HE2 LYS 10 HE2 LYS 10 0.017 0.017 -12.539 66 HE3 LYS 10 HE3 LYS 10 1.459 -0.615 -13.333 67 HZ1 LYS 10 HZ1 LYS 10 -1.287 -0.686 -14.191 68 HZ2 LYS 10 HZ2 LYS 10 -0.503 -2.177 -14.329 69 HZ3 LYS 10 HZ3 LYS 10 0.133 -0.813 -15.100 70 HA PRO 11 HA PRO 11 -0.577 -3.528 -5.095 71 HB2 PRO 11 HB2 PRO 11 -3.174 -3.051 -5.724 72 HB3 PRO 11 HB3 PRO 11 -2.097 -1.805 -5.085 73 HG2 PRO 11 HG2 PRO 11 -2.911 -2.331 -7.916 74 HG3 PRO 11 HG3 PRO 11 -2.766 -0.784 -7.063 75 HD2 PRO 11 HD2 PRO 11 -0.858 -1.700 -8.752 76 HD3 PRO 11 HD3 PRO 11 -0.478 -0.707 -7.331 77 H ASN 12 H ASN 12 -2.166 -5.248 -4.637 78 HA ASN 12 HA ASN 12 -2.953 -7.361 -4.934 79 HB2 ASN 12 HB2 ASN 12 -3.408 -6.351 -7.749 80 HB3 ASN 12 HB3 ASN 12 -4.059 -7.857 -7.109 81 HD21 ASN 12 HD21 ASN 12 -4.136 -4.370 -6.850 82 HD22 ASN 12 HD22 ASN 12 -5.677 -4.271 -6.075 83 H SER 13 H SER 13 -0.134 -6.885 -5.249 84 HA SER 13 HA SER 13 0.535 -9.292 -6.771 85 HB2 SER 13 HB2 SER 13 1.122 -7.732 -8.412 86 HB3 SER 13 HB3 SER 13 1.675 -6.548 -7.228 87 HG SER 13 HG SER 13 3.264 -7.943 -8.518 88 H CYS 14 H CYS 14 1.718 -10.609 -5.567 89 HA CYS 14 HA CYS 14 2.920 -9.618 -3.113 90 HB2 CYS 14 HB2 CYS 14 3.085 -11.890 -2.436 91 HB3 CYS 14 HB3 CYS 14 1.528 -11.737 -3.244 92 H CYS 15 H CYS 15 5.099 -10.559 -2.499 93 HA CYS 15 HA CYS 15 6.963 -9.957 -4.646 94 HB2 CYS 15 HB2 CYS 15 7.619 -10.629 -1.776 95 HB3 CYS 15 HB3 CYS 15 8.639 -9.796 -2.944 96 H VAL 16 H VAL 16 7.838 -11.481 -5.867 97 HA VAL 16 HA VAL 16 8.058 -14.212 -4.774 98 HB VAL 16 HB VAL 16 8.011 -14.942 -7.205 99 HG11 VAL 16 HG11 VAL 16 5.906 -14.281 -5.408 100 HG12 VAL 16 HG12 VAL 16 5.362 -13.954 -7.055 101 HG13 VAL 16 HG13 VAL 16 5.961 -15.557 -6.624 102 HG21 VAL 16 HG21 VAL 16 6.903 -12.164 -7.596 103 HG22 VAL 16 HG22 VAL 16 8.469 -12.728 -8.177 104 HG23 VAL 16 HG23 VAL 16 6.986 -13.438 -8.814 105 H GLN 17 H GLN 17 9.962 -15.307 -5.019 106 HA GLN 17 HA GLN 17 12.225 -13.729 -6.036 107 HB2 GLN 17 HB2 GLN 17 12.015 -14.695 -3.581 108 HB3 GLN 17 HB3 GLN 17 12.615 -16.159 -4.348 109 HG2 GLN 17 HG2 GLN 17 13.961 -13.493 -4.104 110 HG3 GLN 17 HG3 GLN 17 14.509 -15.063 -3.520 111 HE21 GLN 17 HE21 GLN 17 14.435 -12.870 -6.142 112 HE22 GLN 17 HE22 GLN 17 15.376 -13.806 -7.248 113 H ASN 18 H ASN 18 13.148 -14.343 -7.870 114 HA ASN 18 HA ASN 18 12.979 -17.173 -8.661 115 HB2 ASN 18 HB2 ASN 18 12.261 -14.727 -10.220 116 HB3 ASN 18 HB3 ASN 18 12.969 -16.093 -11.078 117 HD21 ASN 18 HD21 ASN 18 10.161 -14.721 -10.500 118 HD22 ASN 18 HD22 ASN 18 9.118 -16.096 -10.430 119 H SER 19 H SER 19 15.081 -17.594 -7.998 120 HA SER 19 HA SER 19 17.211 -16.081 -9.351 121 HB2 SER 19 HB2 SER 19 18.669 -17.335 -7.608 122 HB3 SER 19 HB3 SER 19 17.665 -15.996 -7.054 123 HG SER 19 HG SER 19 16.922 -17.424 -5.701 124 H HIS 20 H HIS 20 18.977 -17.232 -10.289 125 HA HIS 20 HA HIS 20 18.230 -19.933 -11.194 126 HB2 HIS 20 HB2 HIS 20 19.785 -17.733 -12.547 127 HB3 HIS 20 HB3 HIS 20 19.833 -19.399 -13.117 128 HD1 HIS 20 HD1 HIS 20 17.881 -16.325 -13.338 129 HD2 HIS 20 HD2 HIS 20 17.221 -20.378 -13.971 130 HE1 HIS 20 HE1 HIS 20 15.770 -16.458 -14.696 131 H GLY 21 H GLY 21 19.693 -19.213 -8.730 132 HA2 GLY 21 HA2 GLY 21 21.394 -20.204 -7.531 133 HA3 GLY 21 HA3 GLY 21 21.774 -21.160 -8.956 134 H LYS 22 H LYS 22 21.664 -17.706 -9.202 135 HA LYS 22 HA LYS 22 24.496 -17.669 -9.849 136 HB2 LYS 22 HB2 LYS 22 22.539 -15.368 -9.901 137 HB3 LYS 22 HB3 LYS 22 24.105 -15.450 -10.697 138 HG2 LYS 22 HG2 LYS 22 23.022 -17.525 -11.892 139 HG3 LYS 22 HG3 LYS 22 21.521 -16.708 -11.454 140 HD2 LYS 22 HD2 LYS 22 22.011 -15.879 -13.581 141 HD3 LYS 22 HD3 LYS 22 22.593 -14.617 -12.493 142 HE2 LYS 22 HE2 LYS 22 24.864 -15.705 -12.648 143 HE3 LYS 22 HE3 LYS 22 24.209 -16.700 -13.947 144 HZ1 LYS 22 HZ1 LYS 22 24.131 -13.739 -14.006 145 HZ2 LYS 22 HZ2 LYS 22 23.856 -14.811 -15.286 146 HZ3 LYS 22 HZ3 LYS 22 25.414 -14.632 -14.653 147 H GLY 23 H GLY 23 22.359 -16.660 -7.294 148 HA2 GLY 23 HA2 GLY 23 23.165 -16.306 -5.079 149 HA3 GLY 23 HA3 GLY 23 24.706 -15.797 -5.754 150 H LYS 24 H LYS 24 21.990 -14.508 -7.346 151 HA LYS 24 HA LYS 24 22.287 -11.981 -5.856 152 HB2 LYS 24 HB2 LYS 24 22.086 -12.515 -8.801 153 HB3 LYS 24 HB3 LYS 24 21.537 -10.977 -8.147 154 HG2 LYS 24 HG2 LYS 24 23.822 -10.751 -7.097 155 HG3 LYS 24 HG3 LYS 24 24.309 -12.132 -8.084 156 HD2 LYS 24 HD2 LYS 24 23.117 -9.588 -9.184 157 HD3 LYS 24 HD3 LYS 24 24.848 -9.920 -9.097 158 HE2 LYS 24 HE2 LYS 24 22.843 -11.630 -10.563 159 HE3 LYS 24 HE3 LYS 24 23.849 -10.396 -11.320 160 HZ1 LYS 24 HZ1 LYS 24 24.513 -13.069 -10.605 161 HZ2 LYS 24 HZ2 LYS 24 25.590 -11.971 -9.899 162 HZ3 LYS 24 HZ3 LYS 24 25.365 -11.976 -11.576 163 H ASP 25 H ASP 25 20.526 -12.350 -4.509 164 HA ASP 25 HA ASP 25 18.013 -13.277 -5.247 165 HB2 ASP 25 HB2 ASP 25 17.232 -11.847 -3.239 166 HB3 ASP 25 HB3 ASP 25 18.391 -13.140 -2.942 167 H SER 26 H SER 26 17.013 -12.483 -7.009 168 HA SER 26 HA SER 26 16.379 -9.610 -7.007 169 HB2 SER 26 HB2 SER 26 16.539 -9.611 -9.474 170 HB3 SER 26 HB3 SER 26 18.082 -10.013 -8.718 171 HG SER 26 HG SER 26 16.264 -11.711 -10.048 172 HA PRO 27 HA PRO 27 12.453 -11.993 -7.073 173 HB2 PRO 27 HB2 PRO 27 11.091 -10.185 -5.575 174 HB3 PRO 27 HB3 PRO 27 12.096 -11.455 -4.867 175 HG2 PRO 27 HG2 PRO 27 12.739 -8.568 -5.332 176 HG3 PRO 27 HG3 PRO 27 13.086 -9.578 -3.916 177 HD2 PRO 27 HD2 PRO 27 14.953 -9.009 -5.792 178 HD3 PRO 27 HD3 PRO 27 14.933 -10.544 -4.901 179 H ARG 28 H ARG 28 10.297 -11.327 -7.840 180 HA ARG 28 HA ARG 28 10.314 -8.871 -9.449 181 HB2 ARG 28 HB2 ARG 28 10.822 -11.172 -10.676 182 HB3 ARG 28 HB3 ARG 28 9.071 -11.316 -10.618 183 HG2 ARG 28 HG2 ARG 28 8.745 -9.466 -11.984 184 HG3 ARG 28 HG3 ARG 28 10.367 -8.839 -11.682 185 HD2 ARG 28 HD2 ARG 28 11.365 -10.478 -13.053 186 HD3 ARG 28 HD3 ARG 28 9.892 -11.447 -13.097 187 HE ARG 28 HE ARG 28 10.555 -9.251 -14.799 188 HH11 ARG 28 HH11 ARG 28 7.912 -10.953 -13.301 189 HH12 ARG 28 HH12 ARG 28 6.758 -10.485 -14.506 190 HH21 ARG 28 HH21 ARG 28 9.045 -8.628 -16.390 191 HH22 ARG 28 HH22 ARG 28 7.403 -9.164 -16.262 192 H CYS 29 H CYS 29 8.014 -8.553 -10.425 193 HA CYS 29 HA CYS 29 6.139 -8.822 -8.194 194 HB2 CYS 29 HB2 CYS 29 5.757 -7.176 -10.695 195 HB3 CYS 29 HB3 CYS 29 4.922 -7.011 -9.153 196 H HIS 30 H HIS 30 4.413 -10.114 -8.261 197 HA HIS 30 HA HIS 30 3.519 -11.153 -10.859 198 HB2 HIS 30 HB2 HIS 30 4.826 -12.653 -8.826 199 HB3 HIS 30 HB3 HIS 30 3.142 -13.168 -8.869 200 HD1 HIS 30 HD1 HIS 30 5.438 -12.244 -11.758 201 HD2 HIS 30 HD2 HIS 30 3.210 -15.448 -10.329 202 HE1 HIS 30 HE1 HIS 30 5.629 -14.034 -13.515 203 HA PRO 31 HA PRO 31 -0.515 -10.107 -9.469 204 HB2 PRO 31 HB2 PRO 31 -1.988 -11.859 -10.928 205 HB3 PRO 31 HB3 PRO 31 -1.200 -10.445 -11.636 206 HG2 PRO 31 HG2 PRO 31 -0.302 -13.300 -11.613 207 HG3 PRO 31 HG3 PRO 31 -0.263 -12.126 -12.941 208 HD2 PRO 31 HD2 PRO 31 1.925 -12.726 -11.463 209 HD3 PRO 31 HD3 PRO 31 1.655 -11.116 -12.159 210 H LEU 32 H LEU 32 -2.260 -10.841 -8.189 211 HA LEU 32 HA LEU 32 -1.611 -12.791 -6.265 212 HB2 LEU 32 HB2 LEU 32 -4.113 -11.289 -6.938 213 HB3 LEU 32 HB3 LEU 32 -4.120 -12.542 -5.699 214 HG LEU 32 HG LEU 32 -2.274 -10.165 -5.609 215 HD11 LEU 32 HD11 LEU 32 -4.061 -9.559 -3.742 216 HD12 LEU 32 HD12 LEU 32 -5.129 -10.418 -4.851 217 HD13 LEU 32 HD13 LEU 32 -4.222 -9.013 -5.412 218 HD21 LEU 32 HD21 LEU 32 -3.256 -11.757 -3.279 219 HD22 LEU 32 HD22 LEU 32 -1.774 -10.817 -3.453 220 HD23 LEU 32 HD23 LEU 32 -1.933 -12.372 -4.271 221 H GLY 33 H GLY 33 -2.934 -14.708 -5.723 222 HA2 GLY 33 HA2 GLY 33 -3.142 -16.429 -8.005 223 HA3 GLY 33 HA3 GLY 33 -3.499 -16.860 -6.340 224 H LYS 34 H LYS 34 -4.961 -17.509 -8.794 225 HA LYS 34 HA LYS 34 -7.463 -16.029 -8.420 226 HB2 LYS 34 HB2 LYS 34 -8.153 -16.861 -10.535 227 HB3 LYS 34 HB3 LYS 34 -6.476 -16.364 -10.723 228 HG2 LYS 34 HG2 LYS 34 -5.754 -18.681 -10.537 229 HG3 LYS 34 HG3 LYS 34 -7.429 -19.192 -10.309 230 HD2 LYS 34 HD2 LYS 34 -6.746 -17.583 -12.721 231 HD3 LYS 34 HD3 LYS 34 -6.273 -19.283 -12.681 232 HE2 LYS 34 HE2 LYS 34 -8.625 -19.870 -12.152 233 HE3 LYS 34 HE3 LYS 34 -9.057 -18.171 -12.337 234 HZ1 LYS 34 HZ1 LYS 34 -8.450 -20.159 -14.360 235 HZ2 LYS 34 HZ2 LYS 34 -7.795 -18.625 -14.638 236 HZ3 LYS 34 HZ3 LYS 34 -9.464 -18.807 -14.439 237 H LEU 35 H LEU 35 -9.382 -17.747 -9.091 238 HA LEU 35 HA LEU 35 -9.648 -19.372 -6.768 239 HB2 LEU 35 HB2 LEU 35 -11.631 -18.427 -7.573 240 HB3 LEU 35 HB3 LEU 35 -11.306 -18.944 -9.227 241 HG LEU 35 HG LEU 35 -11.747 -21.277 -8.555 242 HD11 LEU 35 HD11 LEU 35 -13.166 -20.869 -6.151 243 HD12 LEU 35 HD12 LEU 35 -11.567 -20.157 -5.939 244 HD13 LEU 35 HD13 LEU 35 -11.723 -21.848 -6.415 245 HD21 LEU 35 HD21 LEU 35 -13.939 -19.294 -7.957 246 HD22 LEU 35 HD22 LEU 35 -14.185 -21.015 -8.253 247 HD23 LEU 35 HD23 LEU 35 -13.537 -19.984 -9.530 248 H ASN 36 H ASN 36 -9.659 -21.594 -6.559 249 HA ASN 36 HA ASN 36 -8.963 -23.726 -6.931 250 HB2 ASN 36 HB2 ASN 36 -10.028 -22.927 -9.623 251 HB3 ASN 36 HB3 ASN 36 -9.285 -24.507 -9.396 252 HD21 ASN 36 HD21 ASN 36 -12.135 -23.173 -9.672 253 HD22 ASN 36 HD22 ASN 36 -13.075 -24.125 -8.579 254 H ASN 37 H ASN 37 -7.056 -21.475 -7.213 255 HA ASN 37 HA ASN 37 -5.084 -22.722 -9.007 256 HB2 ASN 37 HB2 ASN 37 -4.555 -20.667 -9.713 257 HB3 ASN 37 HB3 ASN 37 -5.893 -20.041 -8.754 258 HD21 ASN 37 HD21 ASN 37 -5.410 -19.558 -6.473 259 HD22 ASN 37 HD22 ASN 37 -3.852 -18.919 -6.089 260 HA PRO 38 HA PRO 38 -2.457 -23.813 -5.666 261 HB2 PRO 38 HB2 PRO 38 0.008 -23.281 -6.672 262 HB3 PRO 38 HB3 PRO 38 -0.981 -24.637 -7.224 263 HG2 PRO 38 HG2 PRO 38 -0.593 -21.944 -8.473 264 HG3 PRO 38 HG3 PRO 38 -0.634 -23.540 -9.244 265 HD2 PRO 38 HD2 PRO 38 -2.757 -21.861 -9.257 266 HD3 PRO 38 HD3 PRO 38 -2.937 -23.626 -9.231 267 H CYS 39 H CYS 39 -2.336 -22.701 -3.825 268 HA CYS 39 HA CYS 39 -0.838 -20.179 -3.798 269 HB2 CYS 39 HB2 CYS 39 -2.475 -19.069 -2.453 270 HB3 CYS 39 HB3 CYS 39 -3.317 -19.736 -3.848 271 H GLU 40 H GLU 40 -0.263 -19.520 -1.531 272 HA GLU 40 HA GLU 40 0.140 -21.885 0.180 273 HB2 GLU 40 HB2 GLU 40 2.219 -21.218 -1.019 274 HB3 GLU 40 HB3 GLU 40 2.123 -19.644 -0.241 275 HG2 GLU 40 HG2 GLU 40 2.821 -20.430 1.761 276 HG3 GLU 40 HG3 GLU 40 2.069 -22.008 1.529 277 H VAL 41 H VAL 41 -0.056 -21.597 2.374 278 HA VAL 41 HA VAL 41 -1.796 -19.695 3.354 279 HB VAL 41 HB VAL 41 0.360 -21.080 4.955 280 HG11 VAL 41 HG11 VAL 41 -1.474 -20.898 6.740 281 HG12 VAL 41 HG12 VAL 41 -0.563 -19.441 6.341 282 HG13 VAL 41 HG13 VAL 41 -2.185 -19.673 5.690 283 HG21 VAL 41 HG21 VAL 41 -1.919 -22.495 5.384 284 HG22 VAL 41 HG22 VAL 41 -2.097 -22.064 3.684 285 HG23 VAL 41 HG23 VAL 41 -0.667 -22.942 4.225 286 H GLU 42 H GLU 42 1.709 -19.760 4.043 287 HA GLU 42 HA GLU 42 1.729 -16.832 3.921 288 HB2 GLU 42 HB2 GLU 42 2.629 -18.529 6.238 289 HB3 GLU 42 HB3 GLU 42 3.276 -16.915 5.973 290 HG2 GLU 42 HG2 GLU 42 0.851 -16.133 5.952 291 HG3 GLU 42 HG3 GLU 42 0.464 -17.716 6.625 292 HA PRO 43 HA PRO 43 5.517 -17.289 1.756 293 HB2 PRO 43 HB2 PRO 43 6.883 -15.083 2.560 294 HB3 PRO 43 HB3 PRO 43 5.499 -15.010 1.464 295 HG2 PRO 43 HG2 PRO 43 5.610 -14.498 4.410 296 HG3 PRO 43 HG3 PRO 43 4.757 -13.589 3.149 297 HD2 PRO 43 HD2 PRO 43 3.505 -15.366 4.765 298 HD3 PRO 43 HD3 PRO 43 3.001 -15.081 3.086 299 H ASN 44 H ASN 44 8.053 -16.753 2.295 300 HA ASN 44 HA ASN 44 8.789 -18.771 4.174 301 HB2 ASN 44 HB2 ASN 44 10.769 -16.825 3.047 302 HB3 ASN 44 HB3 ASN 44 10.951 -18.549 3.352 303 HD21 ASN 44 HD21 ASN 44 11.383 -16.832 0.945 304 HD22 ASN 44 HD22 ASN 44 10.492 -17.610 -0.313 305 H GLU 45 H GLU 45 11.039 -17.875 5.419 306 HA GLU 45 HA GLU 45 9.974 -16.501 7.661 307 HB2 GLU 45 HB2 GLU 45 12.250 -16.597 8.557 308 HB3 GLU 45 HB3 GLU 45 11.768 -18.148 7.884 309 HG2 GLU 45 HG2 GLU 45 12.990 -17.464 5.780 310 HG3 GLU 45 HG3 GLU 45 13.659 -16.131 6.719 311 H ASN 46 H ASN 46 11.223 -15.413 4.712 312 HA ASN 46 HA ASN 46 12.020 -12.814 5.795 313 HB2 ASN 46 HB2 ASN 46 12.404 -14.171 3.142 314 HB3 ASN 46 HB3 ASN 46 12.608 -12.429 3.294 315 HD21 ASN 46 HD21 ASN 46 14.088 -15.409 3.560 316 HD22 ASN 46 HD22 ASN 46 15.522 -14.917 4.389 317 H GLY 47 H GLY 47 9.514 -14.365 3.946 318 HA2 GLY 47 HA2 GLY 47 7.312 -13.392 3.904 319 HA3 GLY 47 HA3 GLY 47 8.061 -11.802 3.891 320 H ILE 48 H ILE 48 9.123 -14.464 1.873 321 HA ILE 48 HA ILE 48 7.999 -13.074 -0.469 322 HB ILE 48 HB ILE 48 10.650 -14.511 -0.451 323 HG12 ILE 48 HG12 ILE 48 10.120 -11.534 -0.315 324 HG13 ILE 48 HG13 ILE 48 10.731 -12.520 1.008 325 HG21 ILE 48 HG21 ILE 48 9.321 -12.694 -2.457 326 HG22 ILE 48 HG22 ILE 48 10.967 -13.313 -2.590 327 HG23 ILE 48 HG23 ILE 48 9.600 -14.427 -2.622 328 HD11 ILE 48 HD11 ILE 48 12.644 -11.551 0.174 329 HD12 ILE 48 HD12 ILE 48 12.631 -13.113 -0.647 330 HD13 ILE 48 HD13 ILE 48 12.097 -11.663 -1.500 331 H TYR 49 H TYR 49 7.356 -14.363 -2.216 332 HA TYR 49 HA TYR 49 6.803 -17.147 -1.485 333 HB2 TYR 49 HB2 TYR 49 5.547 -15.243 -3.450 334 HB3 TYR 49 HB3 TYR 49 5.237 -16.974 -3.523 335 HD1 TYR 49 HD1 TYR 49 5.036 -14.047 -1.233 336 HD2 TYR 49 HD2 TYR 49 3.573 -17.926 -2.188 337 HE1 TYR 49 HE1 TYR 49 3.278 -13.796 0.469 338 HE2 TYR 49 HE2 TYR 49 1.811 -17.686 -0.490 339 HH TYR 49 HH TYR 49 1.272 -16.442 1.442 340 H SER 50 H SER 50 6.486 -18.449 -3.754 341 HA SER 50 HA SER 50 9.179 -18.478 -4.893 342 HB2 SER 50 HB2 SER 50 7.089 -20.490 -4.400 343 HB3 SER 50 HB3 SER 50 7.920 -20.668 -5.946 344 HG SER 50 HG SER 50 9.073 -21.793 -4.405 345 H GLN 51 H GLN 51 6.087 -19.418 -6.354 346 HA GLN 51 HA GLN 51 6.698 -17.622 -8.608 347 HB2 GLN 51 HB2 GLN 51 5.858 -20.486 -8.578 348 HB3 GLN 51 HB3 GLN 51 5.295 -19.461 -9.891 349 HG2 GLN 51 HG2 GLN 51 7.211 -20.325 -10.789 350 HG3 GLN 51 HG3 GLN 51 7.809 -18.819 -10.097 351 HE21 GLN 51 HE21 GLN 51 7.113 -22.073 -8.857 352 HE22 GLN 51 HE22 GLN 51 8.641 -22.290 -8.083 353 H HIS 52 H HIS 52 4.003 -19.553 -7.284 354 HA HIS 52 HA HIS 52 2.033 -17.739 -8.297 355 HB2 HIS 52 HB2 HIS 52 1.731 -19.951 -6.255 356 HB3 HIS 52 HB3 HIS 52 0.421 -19.148 -7.115 357 HD1 HIS 52 HD1 HIS 52 0.457 -19.529 -9.803 358 HD2 HIS 52 HD2 HIS 52 2.723 -22.150 -7.511 359 HE1 HIS 52 HE1 HIS 52 0.907 -21.505 -11.291 360 H CYS 53 H CYS 53 0.412 -16.683 -6.890 361 HA CYS 53 HA CYS 53 1.703 -15.553 -4.495 362 HB2 CYS 53 HB2 CYS 53 -0.071 -14.338 -6.586 363 HB3 CYS 53 HB3 CYS 53 -0.017 -13.643 -4.969 364 HA PRO 54 HA PRO 54 -1.574 -16.947 -1.934 365 HB2 PRO 54 HB2 PRO 54 -1.870 -14.873 -0.207 366 HB3 PRO 54 HB3 PRO 54 -0.479 -15.963 -0.170 367 HG2 PRO 54 HG2 PRO 54 -0.714 -13.234 -1.376 368 HG3 PRO 54 HG3 PRO 54 0.610 -13.924 -0.421 369 HD2 PRO 54 HD2 PRO 54 0.698 -13.750 -3.122 370 HD3 PRO 54 HD3 PRO 54 1.483 -15.065 -2.224 371 H CYS 55 H CYS 55 -3.770 -16.429 -1.119 372 HA CYS 55 HA CYS 55 -5.396 -15.394 -3.196 373 HB2 CYS 55 HB2 CYS 55 -6.013 -16.210 -0.354 374 HB3 CYS 55 HB3 CYS 55 -7.250 -15.689 -1.494 375 H GLY 56 H GLY 56 -6.030 -13.379 -3.593 376 HA2 GLY 56 HA2 GLY 56 -6.287 -11.471 -1.397 377 HA3 GLY 56 HA3 GLY 56 -5.120 -11.078 -2.651 378 H GLU 57 H GLU 57 -7.841 -12.827 -3.730 379 HA GLU 57 HA GLU 57 -9.132 -10.339 -4.636 380 HB2 GLU 57 HB2 GLU 57 -9.589 -11.344 -6.783 381 HB3 GLU 57 HB3 GLU 57 -7.862 -11.434 -6.465 382 HG2 GLU 57 HG2 GLU 57 -8.270 -13.792 -5.651 383 HG3 GLU 57 HG3 GLU 57 -9.887 -13.645 -6.338 384 H GLY 58 H GLY 58 -9.830 -11.826 -2.320 385 HA2 GLY 58 HA2 GLY 58 -11.918 -12.256 -1.362 386 HA3 GLY 58 HA3 GLY 58 -12.606 -12.378 -2.975 387 H LEU 59 H LEU 59 -9.738 -14.165 -2.201 388 HA LEU 59 HA LEU 59 -11.332 -16.640 -2.242 389 HB2 LEU 59 HB2 LEU 59 -8.448 -16.204 -3.006 390 HB3 LEU 59 HB3 LEU 59 -9.299 -17.747 -3.057 391 HG LEU 59 HG LEU 59 -10.300 -15.432 -4.666 392 HD11 LEU 59 HD11 LEU 59 -7.870 -15.678 -5.121 393 HD12 LEU 59 HD12 LEU 59 -8.896 -16.035 -6.511 394 HD13 LEU 59 HD13 LEU 59 -8.169 -17.352 -5.589 395 HD21 LEU 59 HD21 LEU 59 -10.329 -18.411 -5.137 396 HD22 LEU 59 HD22 LEU 59 -11.167 -17.181 -6.082 397 HD23 LEU 59 HD23 LEU 59 -11.648 -17.490 -4.414 398 H SER 60 H SER 60 -10.019 -18.519 -1.173 399 HA SER 60 HA SER 60 -8.568 -17.682 1.204 400 HB2 SER 60 HB2 SER 60 -11.221 -17.857 1.523 401 HB3 SER 60 HB3 SER 60 -10.817 -19.560 1.736 402 HG SER 60 HG SER 60 -9.315 -18.887 3.357 403 H CYS 61 H CYS 61 -6.862 -18.963 1.328 404 HA CYS 61 HA CYS 61 -6.430 -21.242 -0.196 405 HB2 CYS 61 HB2 CYS 61 -4.979 -19.732 1.687 406 HB3 CYS 61 HB3 CYS 61 -4.940 -21.394 2.270 407 H THR 62 H THR 62 -7.587 -23.049 -0.144 408 HA THR 62 HA THR 62 -8.137 -24.276 2.474 409 HB THR 62 HB THR 62 -10.211 -23.262 1.519 410 HG1 THR 62 HG1 THR 62 -10.134 -26.107 1.712 411 HG21 THR 62 HG21 THR 62 -11.231 -24.153 -0.440 412 HG22 THR 62 HG22 THR 62 -10.013 -25.422 -0.575 413 HG23 THR 62 HG23 THR 62 -9.573 -23.741 -0.873 414 H LYS 63 H LYS 63 -7.870 -26.466 2.605 415 HA LYS 63 HA LYS 63 -6.212 -27.714 0.674 416 HB2 LYS 63 HB2 LYS 63 -5.987 -28.366 2.965 417 HB3 LYS 63 HB3 LYS 63 -7.692 -28.783 3.077 418 HG2 LYS 63 HG2 LYS 63 -7.397 -30.693 1.687 419 HG3 LYS 63 HG3 LYS 63 -5.748 -30.213 1.283 420 HD2 LYS 63 HD2 LYS 63 -4.989 -30.648 3.493 421 HD3 LYS 63 HD3 LYS 63 -6.639 -30.825 4.093 422 HE2 LYS 63 HE2 LYS 63 -6.739 -32.742 2.299 423 HE3 LYS 63 HE3 LYS 63 -4.986 -32.709 2.479 424 HZ1 LYS 63 HZ1 LYS 63 -6.096 -34.309 3.966 425 HZ2 LYS 63 HZ2 LYS 63 -6.894 -33.029 4.730 426 HZ3 LYS 63 HZ3 LYS 63 -5.209 -33.142 4.810 427 H VAL 64 H VAL 64 -6.790 -28.599 -1.188 428 HA VAL 64 HA VAL 64 -9.552 -29.578 -1.488 429 HB VAL 64 HB VAL 64 -9.364 -29.178 -3.865 430 HG11 VAL 64 HG11 VAL 64 -8.525 -26.851 -2.150 431 HG12 VAL 64 HG12 VAL 64 -9.023 -26.688 -3.836 432 HG13 VAL 64 HG13 VAL 64 -10.159 -27.306 -2.635 433 HG21 VAL 64 HG21 VAL 64 -6.518 -28.482 -3.207 434 HG22 VAL 64 HG22 VAL 64 -7.122 -29.654 -4.379 435 HG23 VAL 64 HG23 VAL 64 -7.299 -27.926 -4.689 436 H GLY 65 H GLY 65 -6.230 -30.443 -1.547 437 HA2 GLY 65 HA2 GLY 65 -6.992 -33.171 -2.355 438 HA3 GLY 65 HA3 GLY 65 -5.594 -32.399 -3.089 439 H GLU 66 H GLU 66 -4.331 -34.167 -2.276 440 HA GLU 66 HA GLU 66 -3.428 -33.671 0.455 441 HB2 GLU 66 HB2 GLU 66 -3.277 -36.306 0.600 442 HB3 GLU 66 HB3 GLU 66 -4.738 -35.448 1.068 443 HG2 GLU 66 HG2 GLU 66 -5.874 -36.071 -0.860 444 HG3 GLU 66 HG3 GLU 66 -4.387 -36.466 -1.722 445 HA PRO 67 HA PRO 67 -2.091 -35.286 1.771 446 HB2 PRO 67 HB2 PRO 67 0.231 -34.421 2.880 447 HB3 PRO 67 HB3 PRO 67 0.016 -36.063 2.260 448 HG2 PRO 67 HG2 PRO 67 1.328 -33.706 0.963 449 HG3 PRO 67 HG3 PRO 67 1.860 -35.396 1.010 450 HD2 PRO 67 HD2 PRO 67 0.623 -34.317 -1.144 451 HD3 PRO 67 HD3 PRO 67 0.433 -36.023 -0.689 452 H ASN 68 H ASN 68 -0.160 -32.471 0.724 453 HA ASN 68 HA ASN 68 -2.047 -30.751 2.193 454 HB2 ASN 68 HB2 ASN 68 0.148 -30.871 3.334 455 HB3 ASN 68 HB3 ASN 68 0.926 -30.290 1.865 456 HD21 ASN 68 HD21 ASN 68 1.444 -28.243 1.977 457 HD22 ASN 68 HD22 ASN 68 0.551 -27.001 2.781 458 H LYS 69 H LYS 69 -2.842 -31.140 -0.224 459 HA LYS 69 HA LYS 69 -1.609 -29.265 -2.078 460 HB2 LYS 69 HB2 LYS 69 -2.363 -31.459 -2.901 461 HB3 LYS 69 HB3 LYS 69 -4.011 -31.071 -2.421 462 HG2 LYS 69 HG2 LYS 69 -4.329 -29.630 -4.161 463 HG3 LYS 69 HG3 LYS 69 -2.617 -29.213 -4.273 464 HD2 LYS 69 HD2 LYS 69 -2.109 -31.287 -5.343 465 HD3 LYS 69 HD3 LYS 69 -3.729 -31.910 -5.031 466 HE2 LYS 69 HE2 LYS 69 -4.610 -30.035 -6.456 467 HE3 LYS 69 HE3 LYS 69 -2.941 -29.682 -6.897 468 HZ1 LYS 69 HZ1 LYS 69 -4.417 -32.202 -7.419 469 HZ2 LYS 69 HZ2 LYS 69 -2.768 -31.987 -7.724 470 HZ3 LYS 69 HZ3 LYS 69 -3.911 -31.067 -8.566 471 H LEU 70 H LEU 70 -2.079 -27.338 -0.878 472 HA LEU 70 HA LEU 70 -4.784 -26.579 -0.327 473 HB2 LEU 70 HB2 LEU 70 -2.112 -25.464 0.055 474 HB3 LEU 70 HB3 LEU 70 -3.334 -24.250 -0.318 475 HG LEU 70 HG LEU 70 -4.653 -24.974 1.606 476 HD11 LEU 70 HD11 LEU 70 -4.373 -27.103 2.228 477 HD12 LEU 70 HD12 LEU 70 -3.011 -26.495 3.168 478 HD13 LEU 70 HD13 LEU 70 -2.739 -27.182 1.567 479 HD21 LEU 70 HD21 LEU 70 -2.660 -24.527 3.339 480 HD22 LEU 70 HD22 LEU 70 -3.388 -23.255 2.356 481 HD23 LEU 70 HD23 LEU 70 -1.873 -24.004 1.850 482 H ARG 71 H ARG 71 -6.014 -24.972 -1.353 483 HA ARG 71 HA ARG 71 -5.087 -23.879 -3.877 484 HB2 ARG 71 HB2 ARG 71 -6.351 -26.269 -4.021 485 HB3 ARG 71 HB3 ARG 71 -7.732 -25.183 -4.092 486 HG2 ARG 71 HG2 ARG 71 -7.208 -24.432 -6.152 487 HG3 ARG 71 HG3 ARG 71 -5.470 -24.511 -5.857 488 HD2 ARG 71 HD2 ARG 71 -5.780 -26.184 -7.422 489 HD3 ARG 71 HD3 ARG 71 -5.833 -27.077 -5.902 490 HE ARG 71 HE ARG 71 -8.429 -26.502 -6.347 491 HH11 ARG 71 HH11 ARG 71 -5.944 -27.923 -8.328 492 HH12 ARG 71 HH12 ARG 71 -7.047 -28.903 -9.236 493 HH21 ARG 71 HH21 ARG 71 -9.891 -27.788 -7.536 494 HH22 ARG 71 HH22 ARG 71 -9.292 -28.825 -8.785 495 H CYS 72 H CYS 72 -6.238 -22.068 -4.551 496 HA CYS 72 HA CYS 72 -7.527 -20.588 -2.514 497 HB2 CYS 72 HB2 CYS 72 -6.898 -20.177 -5.389 498 HB3 CYS 72 HB3 CYS 72 -8.172 -19.175 -4.700 499 H GLN 73 H GLN 73 -9.655 -20.097 -2.163 500 HA GLN 73 HA GLN 73 -11.698 -21.092 -3.966 501 HB2 GLN 73 HB2 GLN 73 -11.009 -22.920 -2.255 502 HB3 GLN 73 HB3 GLN 73 -11.883 -21.933 -1.090 503 HG2 GLN 73 HG2 GLN 73 -13.230 -23.768 -2.041 504 HG3 GLN 73 HG3 GLN 73 -13.920 -22.171 -2.321 505 HE21 GLN 73 HE21 GLN 73 -11.301 -23.841 -4.003 506 HE22 GLN 73 HE22 GLN 73 -12.063 -23.850 -5.553 507 H GLU 74 H GLU 74 -13.311 -19.672 -4.078 508 HA GLU 74 HA GLU 74 -13.344 -17.248 -2.761 509 HB2 GLU 74 HB2 GLU 74 -15.639 -18.775 -3.998 510 HB3 GLU 74 HB3 GLU 74 -15.741 -17.097 -3.486 511 HG2 GLU 74 HG2 GLU 74 -13.952 -16.523 -5.066 512 HG3 GLU 74 HG3 GLU 74 -13.913 -18.201 -5.605 513 H GLU 75 H GLU 75 -13.617 -16.782 -0.691 514 HA GLU 75 HA GLU 75 -14.695 -18.635 1.181 515 HB2 GLU 75 HB2 GLU 75 -12.975 -16.626 1.451 516 HB3 GLU 75 HB3 GLU 75 -14.439 -15.747 1.869 517 HG2 GLU 75 HG2 GLU 75 -14.807 -17.840 3.443 518 HG3 GLU 75 HG3 GLU 75 -13.050 -17.925 3.320 519 H SER 76 H SER 76 -16.523 -18.253 2.596 520 HA SER 76 HA SER 76 -18.679 -16.747 1.263 521 HB2 SER 76 HB2 SER 76 -19.094 -19.134 1.071 522 HB3 SER 76 HB3 SER 76 -18.859 -19.345 2.806 523 HG SER 76 HG SER 76 -21.092 -19.203 2.106 Start of MODEL 7 1 H1 SER 1 H SER 1 2.187 0.690 0.877 2 HA SER 1 HA SER 1 1.421 -0.488 -1.712 3 HB2 SER 1 HB2 SER 1 3.873 1.204 -1.359 4 HB3 SER 1 HB3 SER 1 2.899 0.943 -2.805 5 HG SER 1 HG SER 1 2.719 2.918 -1.047 6 H VAL 2 H VAL 2 2.671 -2.085 -2.617 7 HA VAL 2 HA VAL 2 4.216 -3.676 -0.811 8 HB VAL 2 HB VAL 2 2.861 -4.776 -2.485 9 HG11 VAL 2 HG11 VAL 2 3.735 -4.656 -4.911 10 HG12 VAL 2 HG12 VAL 2 2.739 -3.332 -4.303 11 HG13 VAL 2 HG13 VAL 2 4.491 -3.148 -4.398 12 HG21 VAL 2 HG21 VAL 2 4.431 -6.382 -3.270 13 HG22 VAL 2 HG22 VAL 2 5.750 -5.213 -3.219 14 HG23 VAL 2 HG23 VAL 2 5.028 -5.794 -1.719 15 H THR 3 H THR 3 6.403 -4.098 -0.817 16 HA THR 3 HA THR 3 8.121 -2.708 -2.715 17 HB THR 3 HB THR 3 8.451 -2.297 0.263 18 HG1 THR 3 HG1 THR 3 6.912 -0.869 -0.186 19 HG21 THR 3 HG21 THR 3 10.508 -1.568 -0.190 20 HG22 THR 3 HG22 THR 3 9.888 -0.466 -1.418 21 HG23 THR 3 HG23 THR 3 10.301 -2.125 -1.850 22 H CYS 4 H CYS 4 9.670 -4.052 -3.344 23 HA CYS 4 HA CYS 4 10.947 -5.835 -1.439 24 HB2 CYS 4 HB2 CYS 4 9.263 -6.778 -3.736 25 HB3 CYS 4 HB3 CYS 4 10.649 -7.730 -3.212 26 H GLY 5 H GLY 5 12.976 -6.614 -2.134 27 HA2 GLY 5 HA2 GLY 5 14.992 -6.453 -3.220 28 HA3 GLY 5 HA3 GLY 5 14.052 -6.317 -4.698 29 H GLY 6 H GLY 6 13.992 -4.068 -1.978 30 HA2 GLY 6 HA2 GLY 6 14.559 -1.849 -1.832 31 HA3 GLY 6 HA3 GLY 6 15.813 -2.188 -3.016 32 H LYS 7 H LYS 7 12.561 -2.901 -3.893 33 HA LYS 7 HA LYS 7 12.260 -0.341 -5.281 34 HB2 LYS 7 HB2 LYS 7 12.545 -3.024 -6.542 35 HB3 LYS 7 HB3 LYS 7 11.385 -1.909 -7.249 36 HG2 LYS 7 HG2 LYS 7 14.176 -1.005 -6.697 37 HG3 LYS 7 HG3 LYS 7 13.818 -1.968 -8.132 38 HD2 LYS 7 HD2 LYS 7 12.158 0.438 -7.509 39 HD3 LYS 7 HD3 LYS 7 13.745 0.638 -8.256 40 HE2 LYS 7 HE2 LYS 7 12.952 -1.089 -9.967 41 HE3 LYS 7 HE3 LYS 7 11.336 -0.807 -9.322 42 HZ1 LYS 7 HZ1 LYS 7 11.518 1.509 -9.904 43 HZ2 LYS 7 HZ2 LYS 7 11.826 0.565 -11.273 44 HZ3 LYS 7 HZ3 LYS 7 13.107 1.297 -10.445 45 H GLN 8 H GLN 8 10.092 0.121 -5.949 46 HA GLN 8 HA GLN 8 8.122 -1.184 -4.236 47 HB2 GLN 8 HB2 GLN 8 8.345 1.460 -5.573 48 HB3 GLN 8 HB3 GLN 8 6.726 0.818 -5.332 49 HG2 GLN 8 HG2 GLN 8 6.828 1.012 -3.070 50 HG3 GLN 8 HG3 GLN 8 8.577 0.787 -3.019 51 HE21 GLN 8 HE21 GLN 8 9.434 2.523 -2.131 52 HE22 GLN 8 HE22 GLN 8 9.054 4.160 -2.528 53 H CYS 9 H CYS 9 6.370 -2.284 -4.967 54 HA CYS 9 HA CYS 9 6.208 -2.712 -7.878 55 HB2 CYS 9 HB2 CYS 9 5.800 -4.557 -5.548 56 HB3 CYS 9 HB3 CYS 9 4.988 -4.881 -7.076 57 H LYS 10 H LYS 10 3.916 -3.607 -8.466 58 HA LYS 10 HA LYS 10 2.048 -1.536 -7.725 59 HB2 LYS 10 HB2 LYS 10 2.220 -3.633 -9.811 60 HB3 LYS 10 HB3 LYS 10 0.598 -3.164 -9.318 61 HG2 LYS 10 HG2 LYS 10 1.248 -0.786 -9.767 62 HG3 LYS 10 HG3 LYS 10 2.747 -1.402 -10.468 63 HD2 LYS 10 HD2 LYS 10 1.560 -2.565 -12.176 64 HD3 LYS 10 HD3 LYS 10 0.010 -2.263 -11.388 65 HE2 LYS 10 HE2 LYS 10 0.350 -0.789 -13.314 66 HE3 LYS 10 HE3 LYS 10 0.241 0.122 -11.808 67 HZ1 LYS 10 HZ1 LYS 10 2.422 0.710 -11.894 68 HZ2 LYS 10 HZ2 LYS 10 2.116 0.600 -13.553 69 HZ3 LYS 10 HZ3 LYS 10 2.896 -0.669 -12.752 70 HA PRO 11 HA PRO 11 -0.381 -3.684 -4.770 71 HB2 PRO 11 HB2 PRO 11 -2.909 -2.962 -5.446 72 HB3 PRO 11 HB3 PRO 11 -1.758 -1.846 -4.701 73 HG2 PRO 11 HG2 PRO 11 -2.515 -2.142 -7.582 74 HG3 PRO 11 HG3 PRO 11 -2.276 -0.663 -6.635 75 HD2 PRO 11 HD2 PRO 11 -0.391 -1.634 -8.319 76 HD3 PRO 11 HD3 PRO 11 0.018 -0.757 -6.830 77 H ASN 12 H ASN 12 -2.052 -5.326 -4.448 78 HA ASN 12 HA ASN 12 -2.996 -7.347 -4.893 79 HB2 ASN 12 HB2 ASN 12 -3.316 -6.207 -7.679 80 HB3 ASN 12 HB3 ASN 12 -4.160 -7.615 -7.041 81 HD21 ASN 12 HD21 ASN 12 -4.020 -4.195 -7.183 82 HD22 ASN 12 HD22 ASN 12 -5.446 -3.875 -6.262 83 H SER 13 H SER 13 -0.092 -6.853 -5.367 84 HA SER 13 HA SER 13 0.425 -9.334 -6.827 85 HB2 SER 13 HB2 SER 13 1.817 -6.706 -7.393 86 HB3 SER 13 HB3 SER 13 2.351 -8.271 -8.007 87 HG SER 13 HG SER 13 0.917 -6.900 -9.386 88 H CYS 14 H CYS 14 1.585 -10.615 -5.567 89 HA CYS 14 HA CYS 14 3.041 -9.517 -3.310 90 HB2 CYS 14 HB2 CYS 14 3.174 -11.744 -2.491 91 HB3 CYS 14 HB3 CYS 14 1.563 -11.577 -3.184 92 H CYS 15 H CYS 15 5.226 -10.506 -2.807 93 HA CYS 15 HA CYS 15 6.931 -10.125 -5.128 94 HB2 CYS 15 HB2 CYS 15 7.793 -10.652 -2.283 95 HB3 CYS 15 HB3 CYS 15 8.745 -9.934 -3.578 96 H VAL 16 H VAL 16 8.053 -11.676 -6.151 97 HA VAL 16 HA VAL 16 8.073 -14.377 -4.976 98 HB VAL 16 HB VAL 16 7.941 -15.229 -7.367 99 HG11 VAL 16 HG11 VAL 16 5.335 -14.027 -7.057 100 HG12 VAL 16 HG12 VAL 16 5.827 -15.711 -6.866 101 HG13 VAL 16 HG13 VAL 16 5.965 -14.592 -5.510 102 HG21 VAL 16 HG21 VAL 16 8.424 -13.174 -8.539 103 HG22 VAL 16 HG22 VAL 16 6.806 -13.727 -8.974 104 HG23 VAL 16 HG23 VAL 16 7.007 -12.399 -7.831 105 H GLN 17 H GLN 17 10.046 -15.192 -4.761 106 HA GLN 17 HA GLN 17 12.310 -13.836 -5.934 107 HB2 GLN 17 HB2 GLN 17 12.166 -14.814 -3.562 108 HB3 GLN 17 HB3 GLN 17 12.421 -16.378 -4.325 109 HG2 GLN 17 HG2 GLN 17 14.576 -15.907 -3.896 110 HG3 GLN 17 HG3 GLN 17 14.452 -15.026 -5.418 111 HE21 GLN 17 HE21 GLN 17 15.101 -13.000 -5.398 112 HE22 GLN 17 HE22 GLN 17 15.252 -11.992 -4.003 113 H ASN 18 H ASN 18 13.306 -14.382 -7.756 114 HA ASN 18 HA ASN 18 12.930 -17.109 -8.802 115 HB2 ASN 18 HB2 ASN 18 12.937 -14.532 -10.389 116 HB3 ASN 18 HB3 ASN 18 12.894 -16.148 -11.087 117 HD21 ASN 18 HD21 ASN 18 11.059 -17.515 -10.465 118 HD22 ASN 18 HD22 ASN 18 9.523 -16.764 -10.218 119 H SER 19 H SER 19 15.084 -16.572 -7.254 120 HA SER 19 HA SER 19 17.335 -15.696 -8.806 121 HB2 SER 19 HB2 SER 19 17.370 -15.346 -6.410 122 HB3 SER 19 HB3 SER 19 17.160 -17.072 -6.116 123 HG SER 19 HG SER 19 19.366 -16.263 -5.955 124 H HIS 20 H HIS 20 19.204 -17.034 -9.279 125 HA HIS 20 HA HIS 20 18.486 -19.846 -9.797 126 HB2 HIS 20 HB2 HIS 20 18.713 -18.149 -11.790 127 HB3 HIS 20 HB3 HIS 20 20.440 -18.390 -11.539 128 HD1 HIS 20 HD1 HIS 20 21.356 -20.138 -13.007 129 HD2 HIS 20 HD2 HIS 20 17.399 -20.906 -12.000 130 HE1 HIS 20 HE1 HIS 20 20.761 -22.271 -14.198 131 H GLY 21 H GLY 21 19.899 -18.639 -7.508 132 HA2 GLY 21 HA2 GLY 21 21.595 -19.429 -6.141 133 HA3 GLY 21 HA3 GLY 21 22.115 -20.478 -7.452 134 H LYS 22 H LYS 22 21.719 -17.121 -8.128 135 HA LYS 22 HA LYS 22 24.527 -16.873 -8.727 136 HB2 LYS 22 HB2 LYS 22 22.448 -15.858 -9.976 137 HB3 LYS 22 HB3 LYS 22 22.630 -14.560 -8.803 138 HG2 LYS 22 HG2 LYS 22 24.688 -13.913 -9.642 139 HG3 LYS 22 HG3 LYS 22 24.974 -15.473 -10.417 140 HD2 LYS 22 HD2 LYS 22 24.477 -13.930 -12.151 141 HD3 LYS 22 HD3 LYS 22 23.044 -14.939 -11.947 142 HE2 LYS 22 HE2 LYS 22 21.927 -13.216 -10.716 143 HE3 LYS 22 HE3 LYS 22 23.393 -12.238 -10.659 144 HZ1 LYS 22 HZ1 LYS 22 21.414 -12.061 -12.526 145 HZ2 LYS 22 HZ2 LYS 22 22.636 -12.907 -13.333 146 HZ3 LYS 22 HZ3 LYS 22 22.964 -11.393 -12.654 147 H GLY 23 H GLY 23 22.344 -15.867 -6.201 148 HA2 GLY 23 HA2 GLY 23 23.174 -15.374 -4.011 149 HA3 GLY 23 HA3 GLY 23 24.648 -14.761 -4.746 150 H LYS 24 H LYS 24 21.793 -13.789 -6.321 151 HA LYS 24 HA LYS 24 21.836 -11.208 -4.900 152 HB2 LYS 24 HB2 LYS 24 21.797 -11.789 -7.846 153 HB3 LYS 24 HB3 LYS 24 21.119 -10.289 -7.226 154 HG2 LYS 24 HG2 LYS 24 23.430 -10.091 -6.020 155 HG3 LYS 24 HG3 LYS 24 23.950 -11.212 -7.280 156 HD2 LYS 24 HD2 LYS 24 22.442 -8.697 -7.930 157 HD3 LYS 24 HD3 LYS 24 24.197 -8.701 -7.735 158 HE2 LYS 24 HE2 LYS 24 23.988 -10.754 -9.408 159 HE3 LYS 24 HE3 LYS 24 22.510 -9.906 -9.863 160 HZ1 LYS 24 HZ1 LYS 24 24.066 -7.870 -9.994 161 HZ2 LYS 24 HZ2 LYS 24 24.070 -8.987 -11.262 162 HZ3 LYS 24 HZ3 LYS 24 25.305 -9.016 -10.107 163 H ASP 25 H ASP 25 20.019 -11.294 -3.711 164 HA ASP 25 HA ASP 25 17.635 -12.601 -4.500 165 HB2 ASP 25 HB2 ASP 25 18.099 -10.483 -2.390 166 HB3 ASP 25 HB3 ASP 25 16.617 -11.419 -2.564 167 H SER 26 H SER 26 16.717 -11.942 -6.368 168 HA SER 26 HA SER 26 15.851 -9.131 -6.500 169 HB2 SER 26 HB2 SER 26 17.666 -9.430 -8.100 170 HB3 SER 26 HB3 SER 26 16.854 -10.833 -8.796 171 HG SER 26 HG SER 26 15.215 -9.484 -9.523 172 HA PRO 27 HA PRO 27 12.132 -11.820 -6.697 173 HB2 PRO 27 HB2 PRO 27 10.549 -10.078 -5.345 174 HB3 PRO 27 HB3 PRO 27 11.607 -11.241 -4.536 175 HG2 PRO 27 HG2 PRO 27 12.050 -8.329 -5.070 176 HG3 PRO 27 HG3 PRO 27 12.390 -9.261 -3.601 177 HD2 PRO 27 HD2 PRO 27 14.315 -8.607 -5.390 178 HD3 PRO 27 HD3 PRO 27 14.361 -10.108 -4.444 179 H ARG 28 H ARG 28 9.977 -11.349 -7.604 180 HA ARG 28 HA ARG 28 9.991 -9.018 -9.402 181 HB2 ARG 28 HB2 ARG 28 10.430 -11.450 -10.366 182 HB3 ARG 28 HB3 ARG 28 8.678 -11.550 -10.272 183 HG2 ARG 28 HG2 ARG 28 8.370 -9.869 -11.842 184 HG3 ARG 28 HG3 ARG 28 10.002 -9.234 -11.623 185 HD2 ARG 28 HD2 ARG 28 10.946 -10.814 -12.974 186 HD3 ARG 28 HD3 ARG 28 9.721 -12.024 -12.596 187 HE ARG 28 HE ARG 28 8.356 -10.157 -14.011 188 HH11 ARG 28 HH11 ARG 28 11.275 -11.963 -14.586 189 HH12 ARG 28 HH12 ARG 28 11.079 -11.984 -16.307 190 HH21 ARG 28 HH21 ARG 28 8.086 -10.177 -16.277 191 HH22 ARG 28 HH22 ARG 28 9.265 -10.967 -17.268 192 H CYS 29 H CYS 29 7.700 -8.724 -10.380 193 HA CYS 29 HA CYS 29 5.805 -8.824 -8.139 194 HB2 CYS 29 HB2 CYS 29 5.587 -7.129 -10.628 195 HB3 CYS 29 HB3 CYS 29 4.697 -6.945 -9.120 196 H HIS 30 H HIS 30 4.434 -10.474 -8.231 197 HA HIS 30 HA HIS 30 3.371 -11.270 -10.861 198 HB2 HIS 30 HB2 HIS 30 4.623 -12.832 -8.836 199 HB3 HIS 30 HB3 HIS 30 2.932 -13.315 -8.921 200 HD1 HIS 30 HD1 HIS 30 5.326 -12.386 -11.729 201 HD2 HIS 30 HD2 HIS 30 2.962 -15.551 -10.445 202 HE1 HIS 30 HE1 HIS 30 5.514 -14.137 -13.525 203 HA PRO 31 HA PRO 31 -0.655 -10.173 -9.487 204 HB2 PRO 31 HB2 PRO 31 -2.148 -11.879 -10.980 205 HB3 PRO 31 HB3 PRO 31 -1.329 -10.469 -11.663 206 HG2 PRO 31 HG2 PRO 31 -0.484 -13.341 -11.672 207 HG3 PRO 31 HG3 PRO 31 -0.414 -12.150 -12.984 208 HD2 PRO 31 HD2 PRO 31 1.752 -12.810 -11.498 209 HD3 PRO 31 HD3 PRO 31 1.517 -11.185 -12.175 210 H LEU 32 H LEU 32 -2.353 -10.849 -8.157 211 HA LEU 32 HA LEU 32 -1.763 -12.902 -6.318 212 HB2 LEU 32 HB2 LEU 32 -4.172 -11.207 -6.848 213 HB3 LEU 32 HB3 LEU 32 -4.239 -12.514 -5.668 214 HG LEU 32 HG LEU 32 -2.243 -10.261 -5.530 215 HD11 LEU 32 HD11 LEU 32 -3.846 -9.578 -3.592 216 HD12 LEU 32 HD12 LEU 32 -5.051 -10.452 -4.537 217 HD13 LEU 32 HD13 LEU 32 -4.199 -9.081 -5.248 218 HD21 LEU 32 HD21 LEU 32 -1.769 -11.025 -3.370 219 HD22 LEU 32 HD22 LEU 32 -1.860 -12.493 -4.344 220 HD23 LEU 32 HD23 LEU 32 -3.214 -12.033 -3.311 221 H GLY 33 H GLY 33 -2.767 -14.901 -5.944 222 HA2 GLY 33 HA2 GLY 33 -3.293 -16.460 -8.217 223 HA3 GLY 33 HA3 GLY 33 -3.637 -16.933 -6.559 224 H LYS 34 H LYS 34 -5.198 -17.483 -8.937 225 HA LYS 34 HA LYS 34 -7.616 -15.890 -8.447 226 HB2 LYS 34 HB2 LYS 34 -8.390 -16.555 -10.593 227 HB3 LYS 34 HB3 LYS 34 -6.699 -16.114 -10.792 228 HG2 LYS 34 HG2 LYS 34 -6.088 -18.492 -10.724 229 HG3 LYS 34 HG3 LYS 34 -7.795 -18.912 -10.575 230 HD2 LYS 34 HD2 LYS 34 -6.967 -17.168 -12.839 231 HD3 LYS 34 HD3 LYS 34 -6.569 -18.886 -12.920 232 HE2 LYS 34 HE2 LYS 34 -8.967 -19.391 -12.473 233 HE3 LYS 34 HE3 LYS 34 -9.305 -17.664 -12.583 234 HZ1 LYS 34 HZ1 LYS 34 -9.289 -17.759 -14.787 235 HZ2 LYS 34 HZ2 LYS 34 -9.285 -19.445 -14.655 236 HZ3 LYS 34 HZ3 LYS 34 -7.826 -18.608 -14.833 237 H LEU 35 H LEU 35 -9.580 -17.561 -9.273 238 HA LEU 35 HA LEU 35 -9.895 -19.280 -7.014 239 HB2 LEU 35 HB2 LEU 35 -11.844 -18.222 -7.796 240 HB3 LEU 35 HB3 LEU 35 -11.546 -18.722 -9.459 241 HG LEU 35 HG LEU 35 -12.103 -21.025 -8.877 242 HD11 LEU 35 HD11 LEU 35 -11.900 -21.698 -6.774 243 HD12 LEU 35 HD12 LEU 35 -13.355 -20.781 -6.389 244 HD13 LEU 35 HD13 LEU 35 -11.768 -20.035 -6.200 245 HD21 LEU 35 HD21 LEU 35 -14.336 -20.703 -9.049 246 HD22 LEU 35 HD22 LEU 35 -13.834 -19.032 -9.309 247 HD23 LEU 35 HD23 LEU 35 -14.386 -19.549 -7.716 248 H ASN 36 H ASN 36 -9.897 -21.495 -6.898 249 HA ASN 36 HA ASN 36 -9.278 -23.627 -7.387 250 HB2 ASN 36 HB2 ASN 36 -10.028 -22.806 -10.203 251 HB3 ASN 36 HB3 ASN 36 -9.780 -24.463 -9.657 252 HD21 ASN 36 HD21 ASN 36 -12.146 -23.093 -10.772 253 HD22 ASN 36 HD22 ASN 36 -13.406 -23.346 -9.618 254 H ASN 37 H ASN 37 -7.257 -21.592 -7.348 255 HA ASN 37 HA ASN 37 -5.306 -22.778 -9.212 256 HB2 ASN 37 HB2 ASN 37 -4.720 -20.738 -9.922 257 HB3 ASN 37 HB3 ASN 37 -6.081 -20.084 -9.015 258 HD21 ASN 37 HD21 ASN 37 -5.653 -19.627 -6.700 259 HD22 ASN 37 HD22 ASN 37 -4.105 -18.980 -6.285 260 HA PRO 38 HA PRO 38 -2.765 -23.872 -5.807 261 HB2 PRO 38 HB2 PRO 38 -0.272 -23.386 -6.765 262 HB3 PRO 38 HB3 PRO 38 -1.271 -24.733 -7.325 263 HG2 PRO 38 HG2 PRO 38 -0.815 -22.059 -8.591 264 HG3 PRO 38 HG3 PRO 38 -0.864 -23.662 -9.348 265 HD2 PRO 38 HD2 PRO 38 -2.962 -21.951 -9.422 266 HD3 PRO 38 HD3 PRO 38 -3.168 -23.714 -9.382 267 H CYS 39 H CYS 39 -2.656 -22.749 -3.973 268 HA CYS 39 HA CYS 39 -1.143 -20.233 -3.949 269 HB2 CYS 39 HB2 CYS 39 -2.786 -19.143 -2.564 270 HB3 CYS 39 HB3 CYS 39 -3.592 -19.745 -4.010 271 H GLU 40 H GLU 40 -0.452 -19.595 -1.755 272 HA GLU 40 HA GLU 40 -0.110 -21.939 0.000 273 HB2 GLU 40 HB2 GLU 40 2.004 -21.523 -1.041 274 HB3 GLU 40 HB3 GLU 40 1.885 -19.796 -0.732 275 HG2 GLU 40 HG2 GLU 40 2.191 -20.117 1.609 276 HG3 GLU 40 HG3 GLU 40 2.065 -21.867 1.439 277 H VAL 41 H VAL 41 -0.146 -21.590 2.222 278 HA VAL 41 HA VAL 41 -1.902 -19.688 3.207 279 HB VAL 41 HB VAL 41 0.311 -21.008 4.783 280 HG11 VAL 41 HG11 VAL 41 -0.855 -19.144 5.914 281 HG12 VAL 41 HG12 VAL 41 -2.384 -19.994 5.681 282 HG13 VAL 41 HG13 VAL 41 -1.126 -20.700 6.697 283 HG21 VAL 41 HG21 VAL 41 -0.830 -22.766 3.703 284 HG22 VAL 41 HG22 VAL 41 -1.527 -22.678 5.320 285 HG23 VAL 41 HG23 VAL 41 -2.401 -22.003 3.946 286 H GLU 42 H GLU 42 1.608 -19.718 3.862 287 HA GLU 42 HA GLU 42 1.622 -16.797 3.627 288 HB2 GLU 42 HB2 GLU 42 2.544 -18.402 6.000 289 HB3 GLU 42 HB3 GLU 42 3.172 -16.793 5.675 290 HG2 GLU 42 HG2 GLU 42 0.750 -16.024 5.651 291 HG3 GLU 42 HG3 GLU 42 0.362 -17.595 6.348 292 HA PRO 43 HA PRO 43 5.403 -17.325 1.466 293 HB2 PRO 43 HB2 PRO 43 6.765 -15.087 2.180 294 HB3 PRO 43 HB3 PRO 43 5.376 -15.058 1.087 295 HG2 PRO 43 HG2 PRO 43 5.497 -14.435 4.013 296 HG3 PRO 43 HG3 PRO 43 4.637 -13.578 2.721 297 HD2 PRO 43 HD2 PRO 43 3.396 -15.295 4.407 298 HD3 PRO 43 HD3 PRO 43 2.885 -15.076 2.721 299 H ASN 44 H ASN 44 7.940 -16.756 1.977 300 HA ASN 44 HA ASN 44 8.694 -18.707 3.914 301 HB2 ASN 44 HB2 ASN 44 10.652 -16.768 2.736 302 HB3 ASN 44 HB3 ASN 44 10.858 -18.481 3.093 303 HD21 ASN 44 HD21 ASN 44 11.213 -16.769 0.634 304 HD22 ASN 44 HD22 ASN 44 10.356 -17.621 -0.601 305 H GLU 45 H GLU 45 10.933 -17.753 5.138 306 HA GLU 45 HA GLU 45 9.850 -16.335 7.343 307 HB2 GLU 45 HB2 GLU 45 12.016 -16.501 8.325 308 HB3 GLU 45 HB3 GLU 45 11.735 -17.996 7.442 309 HG2 GLU 45 HG2 GLU 45 13.037 -16.975 5.540 310 HG3 GLU 45 HG3 GLU 45 13.492 -15.691 6.658 311 H ASN 46 H ASN 46 11.134 -15.316 4.372 312 HA ASN 46 HA ASN 46 11.895 -12.682 5.383 313 HB2 ASN 46 HB2 ASN 46 12.140 -13.944 2.645 314 HB3 ASN 46 HB3 ASN 46 12.612 -12.285 3.006 315 HD21 ASN 46 HD21 ASN 46 13.235 -15.653 3.796 316 HD22 ASN 46 HD22 ASN 46 14.871 -15.423 4.301 317 H GLY 47 H GLY 47 9.377 -14.291 3.600 318 HA2 GLY 47 HA2 GLY 47 7.170 -13.333 3.561 319 HA3 GLY 47 HA3 GLY 47 7.908 -11.739 3.502 320 H ILE 48 H ILE 48 8.965 -14.440 1.534 321 HA ILE 48 HA ILE 48 7.798 -13.116 -0.826 322 HB ILE 48 HB ILE 48 10.472 -14.512 -0.800 323 HG12 ILE 48 HG12 ILE 48 9.892 -11.543 -0.751 324 HG13 ILE 48 HG13 ILE 48 10.533 -12.475 0.597 325 HG21 ILE 48 HG21 ILE 48 10.740 -13.355 -2.976 326 HG22 ILE 48 HG22 ILE 48 9.418 -14.521 -2.961 327 HG23 ILE 48 HG23 ILE 48 9.073 -12.796 -2.846 328 HD11 ILE 48 HD11 ILE 48 12.504 -11.749 -0.178 329 HD12 ILE 48 HD12 ILE 48 12.329 -13.076 -1.327 330 HD13 ILE 48 HD13 ILE 48 11.873 -11.437 -1.795 331 H TYR 49 H TYR 49 7.171 -14.458 -2.546 332 HA TYR 49 HA TYR 49 6.690 -17.241 -1.748 333 HB2 TYR 49 HB2 TYR 49 5.317 -15.409 -3.708 334 HB3 TYR 49 HB3 TYR 49 5.030 -17.146 -3.698 335 HD1 TYR 49 HD1 TYR 49 4.793 -14.084 -1.616 336 HD2 TYR 49 HD2 TYR 49 3.533 -18.111 -2.158 337 HE1 TYR 49 HE1 TYR 49 3.108 -13.788 0.150 338 HE2 TYR 49 HE2 TYR 49 1.842 -17.826 -0.394 339 HH TYR 49 HH TYR 49 1.195 -16.483 1.336 340 H SER 50 H SER 50 6.318 -18.572 -3.993 341 HA SER 50 HA SER 50 8.971 -18.567 -5.216 342 HB2 SER 50 HB2 SER 50 6.921 -20.594 -4.657 343 HB3 SER 50 HB3 SER 50 7.668 -20.757 -6.245 344 HG SER 50 HG SER 50 9.062 -20.566 -3.778 345 H GLN 51 H GLN 51 5.839 -19.508 -6.596 346 HA GLN 51 HA GLN 51 6.390 -17.706 -8.862 347 HB2 GLN 51 HB2 GLN 51 5.588 -20.574 -8.808 348 HB3 GLN 51 HB3 GLN 51 4.917 -19.561 -10.079 349 HG2 GLN 51 HG2 GLN 51 6.788 -20.356 -11.111 350 HG3 GLN 51 HG3 GLN 51 7.410 -18.857 -10.422 351 HE21 GLN 51 HE21 GLN 51 9.408 -19.177 -9.768 352 HE22 GLN 51 HE22 GLN 51 9.984 -20.543 -8.879 353 H HIS 52 H HIS 52 3.729 -19.631 -7.461 354 HA HIS 52 HA HIS 52 1.742 -17.796 -8.408 355 HB2 HIS 52 HB2 HIS 52 1.430 -19.999 -6.360 356 HB3 HIS 52 HB3 HIS 52 0.145 -19.224 -7.282 357 HD1 HIS 52 HD1 HIS 52 0.261 -19.675 -9.953 358 HD2 HIS 52 HD2 HIS 52 2.479 -22.219 -7.531 359 HE1 HIS 52 HE1 HIS 52 0.769 -21.685 -11.377 360 H CYS 53 H CYS 53 0.185 -16.716 -6.973 361 HA CYS 53 HA CYS 53 1.528 -15.658 -4.573 362 HB2 CYS 53 HB2 CYS 53 -0.191 -14.379 -6.659 363 HB3 CYS 53 HB3 CYS 53 -0.228 -13.734 -5.021 364 HA PRO 54 HA PRO 54 -1.742 -17.010 -1.981 365 HB2 PRO 54 HB2 PRO 54 -2.013 -14.933 -0.254 366 HB3 PRO 54 HB3 PRO 54 -0.627 -16.030 -0.226 367 HG2 PRO 54 HG2 PRO 54 -0.859 -13.301 -1.434 368 HG3 PRO 54 HG3 PRO 54 0.470 -13.997 -0.488 369 HD2 PRO 54 HD2 PRO 54 0.537 -13.826 -3.190 370 HD3 PRO 54 HD3 PRO 54 1.323 -15.143 -2.297 371 H CYS 55 H CYS 55 -3.928 -16.481 -1.151 372 HA CYS 55 HA CYS 55 -5.558 -15.420 -3.218 373 HB2 CYS 55 HB2 CYS 55 -6.214 -16.224 -0.378 374 HB3 CYS 55 HB3 CYS 55 -7.420 -15.784 -1.584 375 H GLY 56 H GLY 56 -6.213 -13.402 -3.572 376 HA2 GLY 56 HA2 GLY 56 -6.469 -11.533 -1.348 377 HA3 GLY 56 HA3 GLY 56 -5.289 -11.118 -2.582 378 H GLU 57 H GLU 57 -8.073 -12.835 -3.627 379 HA GLU 57 HA GLU 57 -9.311 -10.327 -4.548 380 HB2 GLU 57 HB2 GLU 57 -9.755 -11.276 -6.701 381 HB3 GLU 57 HB3 GLU 57 -8.042 -11.489 -6.366 382 HG2 GLU 57 HG2 GLU 57 -8.373 -13.801 -5.830 383 HG3 GLU 57 HG3 GLU 57 -10.122 -13.622 -5.952 384 H GLY 58 H GLY 58 -9.904 -12.123 -2.271 385 HA2 GLY 58 HA2 GLY 58 -12.033 -12.430 -1.286 386 HA3 GLY 58 HA3 GLY 58 -12.738 -12.512 -2.893 387 H LEU 59 H LEU 59 -9.881 -14.344 -2.222 388 HA LEU 59 HA LEU 59 -11.501 -16.802 -2.279 389 HB2 LEU 59 HB2 LEU 59 -8.610 -16.432 -3.049 390 HB3 LEU 59 HB3 LEU 59 -9.547 -17.917 -3.196 391 HG LEU 59 HG LEU 59 -10.455 -15.475 -4.652 392 HD11 LEU 59 HD11 LEU 59 -8.029 -15.692 -5.102 393 HD12 LEU 59 HD12 LEU 59 -9.033 -15.970 -6.526 394 HD13 LEU 59 HD13 LEU 59 -8.316 -17.336 -5.672 395 HD21 LEU 59 HD21 LEU 59 -11.838 -17.510 -4.589 396 HD22 LEU 59 HD22 LEU 59 -10.512 -18.417 -5.319 397 HD23 LEU 59 HD23 LEU 59 -11.295 -17.119 -6.221 398 H SER 60 H SER 60 -10.363 -18.708 -1.204 399 HA SER 60 HA SER 60 -8.839 -17.922 1.167 400 HB2 SER 60 HB2 SER 60 -11.489 -18.177 1.461 401 HB3 SER 60 HB3 SER 60 -11.040 -19.875 1.618 402 HG SER 60 HG SER 60 -9.685 -19.321 3.325 403 H CYS 61 H CYS 61 -7.091 -19.152 1.227 404 HA CYS 61 HA CYS 61 -6.618 -21.383 -0.361 405 HB2 CYS 61 HB2 CYS 61 -5.296 -20.120 1.965 406 HB3 CYS 61 HB3 CYS 61 -4.882 -21.806 1.674 407 H THR 62 H THR 62 -7.932 -23.109 -0.313 408 HA THR 62 HA THR 62 -8.453 -24.368 2.301 409 HB THR 62 HB THR 62 -10.488 -23.556 1.093 410 HG1 THR 62 HG1 THR 62 -11.571 -25.648 1.301 411 HG21 THR 62 HG21 THR 62 -9.715 -23.994 -1.198 412 HG22 THR 62 HG22 THR 62 -11.257 -24.784 -0.871 413 HG23 THR 62 HG23 THR 62 -9.768 -25.727 -0.879 414 H LYS 63 H LYS 63 -7.903 -26.461 2.602 415 HA LYS 63 HA LYS 63 -6.066 -27.673 0.808 416 HB2 LYS 63 HB2 LYS 63 -5.830 -28.096 3.155 417 HB3 LYS 63 HB3 LYS 63 -7.478 -28.700 3.271 418 HG2 LYS 63 HG2 LYS 63 -6.951 -30.713 2.257 419 HG3 LYS 63 HG3 LYS 63 -5.492 -30.065 1.503 420 HD2 LYS 63 HD2 LYS 63 -4.243 -30.287 3.411 421 HD3 LYS 63 HD3 LYS 63 -5.640 -30.116 4.475 422 HE2 LYS 63 HE2 LYS 63 -5.570 -32.498 2.719 423 HE3 LYS 63 HE3 LYS 63 -4.411 -32.452 4.047 424 HZ1 LYS 63 HZ1 LYS 63 -7.278 -32.791 4.115 425 HZ2 LYS 63 HZ2 LYS 63 -6.681 -31.705 5.265 426 HZ3 LYS 63 HZ3 LYS 63 -6.101 -33.293 5.222 427 H VAL 64 H VAL 64 -6.439 -28.911 -0.904 428 HA VAL 64 HA VAL 64 -9.033 -30.294 -1.106 429 HB VAL 64 HB VAL 64 -8.890 -29.956 -3.582 430 HG11 VAL 64 HG11 VAL 64 -9.761 -27.698 -3.541 431 HG12 VAL 64 HG12 VAL 64 -10.336 -28.586 -2.128 432 HG13 VAL 64 HG13 VAL 64 -9.027 -27.415 -1.963 433 HG21 VAL 64 HG21 VAL 64 -7.062 -27.661 -3.191 434 HG22 VAL 64 HG22 VAL 64 -6.337 -29.269 -3.211 435 HG23 VAL 64 HG23 VAL 64 -7.282 -28.711 -4.591 436 H GLY 65 H GLY 65 -6.041 -30.945 -0.453 437 HA2 GLY 65 HA2 GLY 65 -6.112 -33.597 -1.453 438 HA3 GLY 65 HA3 GLY 65 -4.991 -32.629 -2.400 439 H GLU 66 H GLU 66 -3.489 -34.309 -1.515 440 HA GLU 66 HA GLU 66 -2.426 -33.393 1.074 441 HB2 GLU 66 HB2 GLU 66 -1.568 -35.889 1.158 442 HB3 GLU 66 HB3 GLU 66 -3.170 -35.458 1.737 443 HG2 GLU 66 HG2 GLU 66 -4.230 -36.405 -0.078 444 HG3 GLU 66 HG3 GLU 66 -2.797 -36.304 -1.099 445 HA PRO 67 HA PRO 67 -0.611 -34.588 2.256 446 HB2 PRO 67 HB2 PRO 67 1.470 -33.129 3.211 447 HB3 PRO 67 HB3 PRO 67 1.657 -34.769 2.576 448 HG2 PRO 67 HG2 PRO 67 2.188 -32.146 1.234 449 HG3 PRO 67 HG3 PRO 67 3.156 -33.632 1.209 450 HD2 PRO 67 HD2 PRO 67 1.516 -32.926 -0.828 451 HD3 PRO 67 HD3 PRO 67 1.826 -34.619 -0.395 452 H ASN 68 H ASN 68 0.407 -31.358 1.124 453 HA ASN 68 HA ASN 68 -1.780 -30.209 2.726 454 HB2 ASN 68 HB2 ASN 68 1.035 -29.161 2.392 455 HB3 ASN 68 HB3 ASN 68 -0.285 -28.201 3.051 456 HD21 ASN 68 HD21 ASN 68 -0.539 -28.236 5.162 457 HD22 ASN 68 HD22 ASN 68 0.075 -29.439 6.239 458 H LYS 69 H LYS 69 -2.124 -30.919 0.088 459 HA LYS 69 HA LYS 69 -1.563 -28.865 -1.765 460 HB2 LYS 69 HB2 LYS 69 -2.319 -31.297 -2.191 461 HB3 LYS 69 HB3 LYS 69 -3.951 -30.685 -1.958 462 HG2 LYS 69 HG2 LYS 69 -2.960 -28.899 -3.750 463 HG3 LYS 69 HG3 LYS 69 -2.128 -30.380 -4.227 464 HD2 LYS 69 HD2 LYS 69 -4.993 -30.702 -3.660 465 HD3 LYS 69 HD3 LYS 69 -4.625 -29.670 -5.044 466 HE2 LYS 69 HE2 LYS 69 -3.563 -32.463 -4.624 467 HE3 LYS 69 HE3 LYS 69 -4.920 -32.040 -5.666 468 HZ1 LYS 69 HZ1 LYS 69 -3.214 -30.457 -6.751 469 HZ2 LYS 69 HZ2 LYS 69 -3.164 -32.105 -7.130 470 HZ3 LYS 69 HZ3 LYS 69 -2.058 -31.458 -6.026 471 H LEU 70 H LEU 70 -2.163 -26.831 -1.267 472 HA LEU 70 HA LEU 70 -4.933 -26.364 -0.403 473 HB2 LEU 70 HB2 LEU 70 -2.362 -25.064 0.133 474 HB3 LEU 70 HB3 LEU 70 -3.684 -23.947 -0.201 475 HG LEU 70 HG LEU 70 -4.964 -24.875 1.645 476 HD11 LEU 70 HD11 LEU 70 -3.992 -26.527 3.150 477 HD12 LEU 70 HD12 LEU 70 -2.579 -26.662 2.103 478 HD13 LEU 70 HD13 LEU 70 -4.161 -27.178 1.518 479 HD21 LEU 70 HD21 LEU 70 -3.942 -23.347 2.884 480 HD22 LEU 70 HD22 LEU 70 -2.506 -23.454 1.867 481 HD23 LEU 70 HD23 LEU 70 -2.675 -24.512 3.269 482 H ARG 71 H ARG 71 -6.313 -25.118 -1.573 483 HA ARG 71 HA ARG 71 -5.296 -23.827 -4.005 484 HB2 ARG 71 HB2 ARG 71 -7.552 -25.815 -3.820 485 HB3 ARG 71 HB3 ARG 71 -7.424 -24.672 -5.150 486 HG2 ARG 71 HG2 ARG 71 -5.113 -26.436 -4.465 487 HG3 ARG 71 HG3 ARG 71 -6.465 -27.060 -5.413 488 HD2 ARG 71 HD2 ARG 71 -6.136 -25.057 -6.932 489 HD3 ARG 71 HD3 ARG 71 -4.615 -24.785 -6.082 490 HE ARG 71 HE ARG 71 -3.703 -26.549 -7.222 491 HH11 ARG 71 HH11 ARG 71 -7.169 -26.659 -7.526 492 HH12 ARG 71 HH12 ARG 71 -7.156 -27.935 -8.698 493 HH21 ARG 71 HH21 ARG 71 -3.673 -28.229 -8.764 494 HH22 ARG 71 HH22 ARG 71 -5.166 -28.828 -9.401 495 H CYS 72 H CYS 72 -6.541 -22.078 -4.764 496 HA CYS 72 HA CYS 72 -7.837 -20.583 -2.720 497 HB2 CYS 72 HB2 CYS 72 -7.146 -20.168 -5.577 498 HB3 CYS 72 HB3 CYS 72 -8.459 -19.187 -4.933 499 H GLN 73 H GLN 73 -9.974 -20.139 -2.388 500 HA GLN 73 HA GLN 73 -11.982 -21.116 -4.238 501 HB2 GLN 73 HB2 GLN 73 -11.328 -23.011 -2.634 502 HB3 GLN 73 HB3 GLN 73 -12.112 -22.058 -1.381 503 HG2 GLN 73 HG2 GLN 73 -13.543 -23.827 -2.369 504 HG3 GLN 73 HG3 GLN 73 -14.217 -22.202 -2.480 505 HE21 GLN 73 HE21 GLN 73 -11.752 -23.786 -4.455 506 HE22 GLN 73 HE22 GLN 73 -12.613 -23.660 -5.947 507 H GLU 74 H GLU 74 -13.657 -19.762 -4.300 508 HA GLU 74 HA GLU 74 -13.732 -17.349 -2.963 509 HB2 GLU 74 HB2 GLU 74 -16.144 -17.253 -3.645 510 HB3 GLU 74 HB3 GLU 74 -15.030 -17.642 -4.949 511 HG2 GLU 74 HG2 GLU 74 -15.590 -20.073 -4.512 512 HG3 GLU 74 HG3 GLU 74 -16.905 -19.482 -3.499 513 H GLU 75 H GLU 75 -13.978 -16.906 -0.885 514 HA GLU 75 HA GLU 75 -14.916 -18.784 1.014 515 HB2 GLU 75 HB2 GLU 75 -13.355 -16.667 1.256 516 HB3 GLU 75 HB3 GLU 75 -14.872 -15.861 1.625 517 HG2 GLU 75 HG2 GLU 75 -14.080 -18.368 3.052 518 HG3 GLU 75 HG3 GLU 75 -13.458 -16.797 3.555 519 H SER 76 H SER 76 -16.798 -18.761 2.283 520 HA SER 76 HA SER 76 -19.135 -17.780 0.866 521 HB2 SER 76 HB2 SER 76 -20.403 -19.112 2.538 522 HB3 SER 76 HB3 SER 76 -19.188 -20.070 1.691 523 HG SER 76 HG SER 76 -19.286 -20.311 4.050 Start of MODEL 8 1 H1 SER 1 H SER 1 1.274 0.728 -1.996 2 HA SER 1 HA SER 1 1.753 -0.257 -4.726 3 HB2 SER 1 HB2 SER 1 3.940 1.219 -4.473 4 HB3 SER 1 HB3 SER 1 2.434 1.922 -5.065 5 HG SER 1 HG SER 1 2.339 3.118 -3.342 6 H VAL 2 H VAL 2 2.769 -2.137 -4.651 7 HA VAL 2 HA VAL 2 4.074 -3.048 -2.254 8 HB VAL 2 HB VAL 2 2.741 -4.556 -3.725 9 HG11 VAL 2 HG11 VAL 2 3.290 -5.053 -5.866 10 HG12 VAL 2 HG12 VAL 2 4.022 -3.448 -5.799 11 HG13 VAL 2 HG13 VAL 2 5.022 -4.885 -5.577 12 HG21 VAL 2 HG21 VAL 2 5.181 -5.052 -2.404 13 HG22 VAL 2 HG22 VAL 2 3.871 -6.188 -2.728 14 HG23 VAL 2 HG23 VAL 2 5.194 -6.015 -3.881 15 H THR 3 H THR 3 6.238 -3.453 -1.937 16 HA THR 3 HA THR 3 8.087 -2.499 -4.020 17 HB THR 3 HB THR 3 8.470 -2.023 -1.060 18 HG1 THR 3 HG1 THR 3 7.183 -0.378 -1.356 19 HG21 THR 3 HG21 THR 3 10.037 -1.404 -3.523 20 HG22 THR 3 HG22 THR 3 10.595 -1.950 -1.942 21 HG23 THR 3 HG23 THR 3 10.093 -0.275 -2.171 22 H CYS 4 H CYS 4 9.322 -4.131 -4.657 23 HA CYS 4 HA CYS 4 10.448 -5.931 -2.635 24 HB2 CYS 4 HB2 CYS 4 9.361 -6.931 -5.269 25 HB3 CYS 4 HB3 CYS 4 9.973 -7.894 -3.927 26 H GLY 5 H GLY 5 12.584 -6.093 -2.824 27 HA2 GLY 5 HA2 GLY 5 14.673 -6.232 -3.804 28 HA3 GLY 5 HA3 GLY 5 13.891 -6.221 -5.377 29 H GLY 6 H GLY 6 13.018 -3.672 -3.260 30 HA2 GLY 6 HA2 GLY 6 13.891 -1.500 -3.043 31 HA3 GLY 6 HA3 GLY 6 15.081 -1.878 -4.279 32 H LYS 7 H LYS 7 12.653 -3.017 -5.841 33 HA LYS 7 HA LYS 7 11.994 -0.455 -7.101 34 HB2 LYS 7 HB2 LYS 7 11.372 -1.738 -9.050 35 HB3 LYS 7 HB3 LYS 7 12.956 -2.269 -8.499 36 HG2 LYS 7 HG2 LYS 7 12.251 -4.354 -8.232 37 HG3 LYS 7 HG3 LYS 7 10.854 -3.832 -7.289 38 HD2 LYS 7 HD2 LYS 7 9.781 -4.757 -9.082 39 HD3 LYS 7 HD3 LYS 7 9.970 -3.106 -9.676 40 HE2 LYS 7 HE2 LYS 7 11.856 -3.712 -10.995 41 HE3 LYS 7 HE3 LYS 7 11.959 -5.297 -10.231 42 HZ1 LYS 7 HZ1 LYS 7 10.710 -6.047 -11.884 43 HZ2 LYS 7 HZ2 LYS 7 10.421 -4.489 -12.475 44 HZ3 LYS 7 HZ3 LYS 7 9.417 -5.139 -11.278 45 H GLN 8 H GLN 8 9.835 0.056 -7.694 46 HA GLN 8 HA GLN 8 7.868 -1.042 -5.828 47 HB2 GLN 8 HB2 GLN 8 8.175 1.535 -7.285 48 HB3 GLN 8 HB3 GLN 8 6.543 0.999 -6.912 49 HG2 GLN 8 HG2 GLN 8 6.798 1.306 -4.681 50 HG3 GLN 8 HG3 GLN 8 8.522 0.934 -4.714 51 HE21 GLN 8 HE21 GLN 8 9.369 2.666 -3.735 52 HE22 GLN 8 HE22 GLN 8 9.183 4.297 -4.272 53 H CYS 9 H CYS 9 5.729 -1.575 -6.538 54 HA CYS 9 HA CYS 9 5.342 -2.005 -9.394 55 HB2 CYS 9 HB2 CYS 9 5.812 -4.149 -7.414 56 HB3 CYS 9 HB3 CYS 9 4.447 -4.405 -8.497 57 H LYS 10 H LYS 10 3.082 -2.998 -9.756 58 HA LYS 10 HA LYS 10 1.176 -1.262 -8.619 59 HB2 LYS 10 HB2 LYS 10 1.160 -3.517 -10.522 60 HB3 LYS 10 HB3 LYS 10 -0.355 -3.252 -9.668 61 HG2 LYS 10 HG2 LYS 10 0.040 -0.761 -10.390 62 HG3 LYS 10 HG3 LYS 10 1.046 -1.512 -11.631 63 HD2 LYS 10 HD2 LYS 10 -0.923 -1.568 -12.753 64 HD3 LYS 10 HD3 LYS 10 -1.127 -3.064 -11.837 65 HE2 LYS 10 HE2 LYS 10 -2.675 -2.146 -10.426 66 HE3 LYS 10 HE3 LYS 10 -2.012 -0.520 -10.578 67 HZ1 LYS 10 HZ1 LYS 10 -3.361 -1.826 -12.855 68 HZ2 LYS 10 HZ2 LYS 10 -3.105 -0.177 -12.579 69 HZ3 LYS 10 HZ3 LYS 10 -4.254 -1.019 -11.667 70 HA PRO 11 HA PRO 11 -0.236 -3.287 -4.992 71 HB2 PRO 11 HB2 PRO 11 -2.920 -2.906 -5.110 72 HB3 PRO 11 HB3 PRO 11 -1.780 -1.602 -4.763 73 HG2 PRO 11 HG2 PRO 11 -3.124 -2.305 -7.344 74 HG3 PRO 11 HG3 PRO 11 -2.865 -0.709 -6.615 75 HD2 PRO 11 HD2 PRO 11 -1.303 -1.674 -8.605 76 HD3 PRO 11 HD3 PRO 11 -0.681 -0.593 -7.341 77 H ASN 12 H ASN 12 -1.928 -4.906 -4.175 78 HA ASN 12 HA ASN 12 -2.697 -7.047 -4.197 79 HB2 ASN 12 HB2 ASN 12 -3.474 -6.188 -6.987 80 HB3 ASN 12 HB3 ASN 12 -3.960 -7.727 -6.282 81 HD21 ASN 12 HD21 ASN 12 -4.353 -4.284 -6.205 82 HD22 ASN 12 HD22 ASN 12 -5.763 -4.261 -5.206 83 H SER 13 H SER 13 0.058 -6.698 -4.741 84 HA SER 13 HA SER 13 0.564 -9.173 -6.215 85 HB2 SER 13 HB2 SER 13 2.540 -7.005 -6.663 86 HB3 SER 13 HB3 SER 13 1.992 -8.276 -7.756 87 HG SER 13 HG SER 13 0.655 -5.867 -7.091 88 H CYS 14 H CYS 14 1.738 -10.492 -5.006 89 HA CYS 14 HA CYS 14 3.126 -9.464 -2.673 90 HB2 CYS 14 HB2 CYS 14 3.253 -11.717 -1.926 91 HB3 CYS 14 HB3 CYS 14 1.656 -11.531 -2.645 92 H CYS 15 H CYS 15 5.303 -10.463 -2.149 93 HA CYS 15 HA CYS 15 7.052 -10.032 -4.437 94 HB2 CYS 15 HB2 CYS 15 7.853 -10.526 -1.567 95 HB3 CYS 15 HB3 CYS 15 8.834 -9.817 -2.847 96 H VAL 16 H VAL 16 8.257 -11.564 -5.406 97 HA VAL 16 HA VAL 16 8.288 -14.259 -4.219 98 HB VAL 16 HB VAL 16 8.202 -15.138 -6.601 99 HG11 VAL 16 HG11 VAL 16 6.183 -15.692 -5.856 100 HG12 VAL 16 HG12 VAL 16 6.091 -14.237 -4.862 101 HG13 VAL 16 HG13 VAL 16 5.574 -14.188 -6.547 102 HG21 VAL 16 HG21 VAL 16 7.175 -12.350 -7.132 103 HG22 VAL 16 HG22 VAL 16 8.681 -13.035 -7.745 104 HG23 VAL 16 HG23 VAL 16 7.134 -13.699 -8.269 105 H GLN 17 H GLN 17 10.145 -15.465 -4.529 106 HA GLN 17 HA GLN 17 12.498 -13.925 -5.264 107 HB2 GLN 17 HB2 GLN 17 12.138 -15.564 -3.209 108 HB3 GLN 17 HB3 GLN 17 12.671 -16.766 -4.377 109 HG2 GLN 17 HG2 GLN 17 14.669 -16.202 -3.453 110 HG3 GLN 17 HG3 GLN 17 14.609 -15.040 -4.778 111 HE21 GLN 17 HE21 GLN 17 15.525 -13.246 -4.076 112 HE22 GLN 17 HE22 GLN 17 15.177 -12.449 -2.583 113 H ASN 18 H ASN 18 13.456 -14.060 -7.178 114 HA ASN 18 HA ASN 18 12.938 -16.440 -8.839 115 HB2 ASN 18 HB2 ASN 18 13.364 -13.598 -9.790 116 HB3 ASN 18 HB3 ASN 18 13.068 -14.999 -10.816 117 HD21 ASN 18 HD21 ASN 18 11.021 -16.233 -10.182 118 HD22 ASN 18 HD22 ASN 18 9.624 -15.262 -9.881 119 H SER 19 H SER 19 14.831 -17.456 -8.075 120 HA SER 19 HA SER 19 17.271 -16.437 -9.337 121 HB2 SER 19 HB2 SER 19 17.735 -15.719 -7.166 122 HB3 SER 19 HB3 SER 19 16.907 -17.090 -6.429 123 HG SER 19 HG SER 19 18.705 -18.167 -6.485 124 H HIS 20 H HIS 20 18.225 -17.960 -10.511 125 HA HIS 20 HA HIS 20 17.461 -20.759 -10.056 126 HB2 HIS 20 HB2 HIS 20 18.504 -19.307 -12.485 127 HB3 HIS 20 HB3 HIS 20 18.433 -21.064 -12.398 128 HD1 HIS 20 HD1 HIS 20 16.769 -20.665 -14.507 129 HD2 HIS 20 HD2 HIS 20 15.361 -19.525 -10.767 130 HE1 HIS 20 HE1 HIS 20 14.275 -20.461 -14.760 131 H GLY 21 H GLY 21 19.510 -19.306 -8.512 132 HA2 GLY 21 HA2 GLY 21 21.440 -20.138 -7.488 133 HA3 GLY 21 HA3 GLY 21 21.621 -21.282 -8.811 134 H LYS 22 H LYS 22 21.135 -17.879 -9.392 135 HA LYS 22 HA LYS 22 23.615 -17.739 -10.846 136 HB2 LYS 22 HB2 LYS 22 21.597 -15.570 -10.235 137 HB3 LYS 22 HB3 LYS 22 22.913 -15.453 -11.395 138 HG2 LYS 22 HG2 LYS 22 21.767 -17.579 -12.424 139 HG3 LYS 22 HG3 LYS 22 20.353 -16.954 -11.572 140 HD2 LYS 22 HD2 LYS 22 20.690 -14.776 -12.707 141 HD3 LYS 22 HD3 LYS 22 22.019 -15.493 -13.621 142 HE2 LYS 22 HE2 LYS 22 20.282 -15.744 -15.104 143 HE3 LYS 22 HE3 LYS 22 20.218 -17.285 -14.251 144 HZ1 LYS 22 HZ1 LYS 22 18.058 -16.715 -14.069 145 HZ2 LYS 22 HZ2 LYS 22 18.350 -15.055 -14.198 146 HZ3 LYS 22 HZ3 LYS 22 18.608 -15.847 -12.725 147 H GLY 23 H GLY 23 22.394 -16.646 -7.752 148 HA2 GLY 23 HA2 GLY 23 23.935 -16.319 -5.930 149 HA3 GLY 23 HA3 GLY 23 25.118 -15.736 -7.091 150 H LYS 24 H LYS 24 22.403 -14.355 -8.137 151 HA LYS 24 HA LYS 24 22.786 -11.969 -6.449 152 HB2 LYS 24 HB2 LYS 24 21.874 -10.740 -8.496 153 HB3 LYS 24 HB3 LYS 24 23.504 -11.389 -8.614 154 HG2 LYS 24 HG2 LYS 24 22.871 -13.071 -10.071 155 HG3 LYS 24 HG3 LYS 24 21.174 -12.984 -9.592 156 HD2 LYS 24 HD2 LYS 24 21.057 -11.916 -11.609 157 HD3 LYS 24 HD3 LYS 24 21.398 -10.534 -10.564 158 HE2 LYS 24 HE2 LYS 24 23.687 -10.526 -11.170 159 HE3 LYS 24 HE3 LYS 24 23.562 -12.107 -11.941 160 HZ1 LYS 24 HZ1 LYS 24 23.603 -10.067 -13.434 161 HZ2 LYS 24 HZ2 LYS 24 22.014 -9.788 -12.922 162 HZ3 LYS 24 HZ3 LYS 24 22.401 -11.218 -13.737 163 H ASP 25 H ASP 25 21.192 -12.502 -4.942 164 HA ASP 25 HA ASP 25 18.607 -13.379 -5.492 165 HB2 ASP 25 HB2 ASP 25 18.037 -12.301 -3.261 166 HB3 ASP 25 HB3 ASP 25 19.355 -13.469 -3.241 167 H SER 26 H SER 26 17.367 -12.413 -6.984 168 HA SER 26 HA SER 26 16.718 -9.579 -6.571 169 HB2 SER 26 HB2 SER 26 16.966 -10.715 -9.347 170 HB3 SER 26 HB3 SER 26 16.941 -9.024 -8.845 171 HG SER 26 HG SER 26 19.014 -9.109 -8.431 172 HA PRO 27 HA PRO 27 12.864 -12.075 -6.703 173 HB2 PRO 27 HB2 PRO 27 11.571 -10.552 -4.865 174 HB3 PRO 27 HB3 PRO 27 12.661 -11.872 -4.424 175 HG2 PRO 27 HG2 PRO 27 13.188 -8.926 -4.507 176 HG3 PRO 27 HG3 PRO 27 13.668 -10.114 -3.281 177 HD2 PRO 27 HD2 PRO 27 15.373 -9.212 -5.183 178 HD3 PRO 27 HD3 PRO 27 15.461 -10.858 -4.524 179 H ARG 28 H ARG 28 10.644 -11.394 -7.221 180 HA ARG 28 HA ARG 28 10.458 -8.727 -8.432 181 HB2 ARG 28 HB2 ARG 28 10.944 -10.852 -10.004 182 HB3 ARG 28 HB3 ARG 28 9.191 -10.959 -9.919 183 HG2 ARG 28 HG2 ARG 28 8.886 -8.922 -10.984 184 HG3 ARG 28 HG3 ARG 28 10.522 -8.373 -10.613 185 HD2 ARG 28 HD2 ARG 28 11.444 -9.501 -12.361 186 HD3 ARG 28 HD3 ARG 28 10.259 -10.805 -12.283 187 HE ARG 28 HE ARG 28 8.958 -8.477 -13.131 188 HH11 ARG 28 HH11 ARG 28 11.358 -10.736 -14.253 189 HH12 ARG 28 HH12 ARG 28 10.987 -10.499 -15.929 190 HH21 ARG 28 HH21 ARG 28 8.460 -8.158 -15.335 191 HH22 ARG 28 HH22 ARG 28 9.338 -9.031 -16.543 192 H CYS 29 H CYS 29 8.086 -8.386 -9.214 193 HA CYS 29 HA CYS 29 6.363 -9.150 -6.967 194 HB2 CYS 29 HB2 CYS 29 4.941 -7.256 -7.690 195 HB3 CYS 29 HB3 CYS 29 6.587 -6.757 -7.317 196 H HIS 30 H HIS 30 4.651 -10.440 -7.224 197 HA HIS 30 HA HIS 30 3.792 -11.070 -9.972 198 HB2 HIS 30 HB2 HIS 30 4.827 -12.817 -7.966 199 HB3 HIS 30 HB3 HIS 30 3.135 -13.225 -8.233 200 HD1 HIS 30 HD1 HIS 30 5.829 -12.212 -10.725 201 HD2 HIS 30 HD2 HIS 30 3.195 -15.326 -9.932 202 HE1 HIS 30 HE1 HIS 30 6.108 -13.831 -12.629 203 HA PRO 31 HA PRO 31 -0.277 -9.905 -8.791 204 HB2 PRO 31 HB2 PRO 31 -1.732 -11.467 -10.467 205 HB3 PRO 31 HB3 PRO 31 -0.821 -10.057 -11.018 206 HG2 PRO 31 HG2 PRO 31 -0.080 -12.955 -11.135 207 HG3 PRO 31 HG3 PRO 31 0.116 -11.699 -12.372 208 HD2 PRO 31 HD2 PRO 31 2.157 -12.523 -10.795 209 HD3 PRO 31 HD3 PRO 31 2.025 -10.856 -11.393 210 H LEU 32 H LEU 32 -1.894 -10.511 -7.415 211 HA LEU 32 HA LEU 32 -1.556 -12.666 -5.708 212 HB2 LEU 32 HB2 LEU 32 -3.907 -10.933 -6.365 213 HB3 LEU 32 HB3 LEU 32 -4.073 -12.275 -5.235 214 HG LEU 32 HG LEU 32 -2.100 -10.022 -4.884 215 HD11 LEU 32 HD11 LEU 32 -3.920 -9.607 -2.960 216 HD12 LEU 32 HD12 LEU 32 -4.971 -10.225 -4.234 217 HD13 LEU 32 HD13 LEU 32 -3.968 -8.806 -4.531 218 HD21 LEU 32 HD21 LEU 32 -2.024 -10.845 -2.572 219 HD22 LEU 32 HD22 LEU 32 -1.498 -12.071 -3.727 220 HD23 LEU 32 HD23 LEU 32 -3.110 -12.163 -3.014 221 H GLY 33 H GLY 33 -2.619 -14.661 -5.466 222 HA2 GLY 33 HA2 GLY 33 -3.028 -16.105 -7.862 223 HA3 GLY 33 HA3 GLY 33 -3.380 -16.684 -6.241 224 H LYS 34 H LYS 34 -4.906 -17.120 -8.663 225 HA LYS 34 HA LYS 34 -7.367 -15.623 -8.075 226 HB2 LYS 34 HB2 LYS 34 -8.096 -16.083 -10.285 227 HB3 LYS 34 HB3 LYS 34 -6.411 -15.596 -10.420 228 HG2 LYS 34 HG2 LYS 34 -5.734 -17.918 -10.635 229 HG3 LYS 34 HG3 LYS 34 -7.409 -18.439 -10.438 230 HD2 LYS 34 HD2 LYS 34 -7.048 -18.476 -12.754 231 HD3 LYS 34 HD3 LYS 34 -7.918 -16.967 -12.467 232 HE2 LYS 34 HE2 LYS 34 -5.714 -15.796 -12.421 233 HE3 LYS 34 HE3 LYS 34 -4.954 -17.312 -12.902 234 HZ1 LYS 34 HZ1 LYS 34 -5.261 -16.230 -14.899 235 HZ2 LYS 34 HZ2 LYS 34 -6.755 -15.573 -14.454 236 HZ3 LYS 34 HZ3 LYS 34 -6.633 -17.218 -14.833 237 H LEU 35 H LEU 35 -9.295 -17.225 -9.039 238 HA LEU 35 HA LEU 35 -9.528 -19.211 -6.992 239 HB2 LEU 35 HB2 LEU 35 -11.443 -17.896 -7.759 240 HB3 LEU 35 HB3 LEU 35 -11.303 -18.623 -9.358 241 HG LEU 35 HG LEU 35 -11.792 -20.840 -8.293 242 HD11 LEU 35 HD11 LEU 35 -11.144 -20.172 -5.999 243 HD12 LEU 35 HD12 LEU 35 -12.745 -20.903 -6.089 244 HD13 LEU 35 HD13 LEU 35 -12.583 -19.155 -5.924 245 HD21 LEU 35 HD21 LEU 35 -14.135 -19.196 -7.623 246 HD22 LEU 35 HD22 LEU 35 -13.979 -20.555 -8.737 247 HD23 LEU 35 HD23 LEU 35 -13.473 -18.942 -9.238 248 H ASN 36 H ASN 36 -9.811 -21.462 -7.271 249 HA ASN 36 HA ASN 36 -9.274 -23.519 -8.078 250 HB2 ASN 36 HB2 ASN 36 -9.483 -22.290 -10.831 251 HB3 ASN 36 HB3 ASN 36 -9.707 -23.981 -10.390 252 HD21 ASN 36 HD21 ASN 36 -11.304 -23.739 -8.169 253 HD22 ASN 36 HD22 ASN 36 -12.836 -23.088 -8.632 254 H ASN 37 H ASN 37 -7.209 -21.338 -7.729 255 HA ASN 37 HA ASN 37 -5.082 -22.581 -9.348 256 HB2 ASN 37 HB2 ASN 37 -5.720 -19.764 -8.811 257 HB3 ASN 37 HB3 ASN 37 -4.026 -20.174 -8.563 258 HD21 ASN 37 HD21 ASN 37 -6.658 -20.593 -10.892 259 HD22 ASN 37 HD22 ASN 37 -5.664 -20.463 -12.300 260 HA PRO 38 HA PRO 38 -2.952 -23.725 -5.687 261 HB2 PRO 38 HB2 PRO 38 -0.360 -23.289 -6.368 262 HB3 PRO 38 HB3 PRO 38 -1.318 -24.617 -7.034 263 HG2 PRO 38 HG2 PRO 38 -0.674 -21.954 -8.241 264 HG3 PRO 38 HG3 PRO 38 -0.673 -23.557 -9.000 265 HD2 PRO 38 HD2 PRO 38 -2.715 -21.805 -9.300 266 HD3 PRO 38 HD3 PRO 38 -2.960 -23.563 -9.285 267 H CYS 39 H CYS 39 -2.162 -22.902 -3.788 268 HA CYS 39 HA CYS 39 -0.991 -20.257 -3.684 269 HB2 CYS 39 HB2 CYS 39 -2.641 -19.260 -2.262 270 HB3 CYS 39 HB3 CYS 39 -3.476 -19.880 -3.683 271 H GLU 40 H GLU 40 -0.439 -19.662 -1.379 272 HA GLU 40 HA GLU 40 0.078 -22.077 0.225 273 HB2 GLU 40 HB2 GLU 40 2.040 -20.819 -1.109 274 HB3 GLU 40 HB3 GLU 40 2.035 -19.850 0.358 275 HG2 GLU 40 HG2 GLU 40 3.649 -21.578 0.611 276 HG3 GLU 40 HG3 GLU 40 2.289 -21.940 1.672 277 H VAL 41 H VAL 41 -0.007 -21.855 2.452 278 HA VAL 41 HA VAL 41 -1.837 -20.084 3.532 279 HB VAL 41 HB VAL 41 0.431 -21.386 5.044 280 HG11 VAL 41 HG11 VAL 41 -1.045 -21.257 6.962 281 HG12 VAL 41 HG12 VAL 41 -0.796 -19.647 6.284 282 HG13 VAL 41 HG13 VAL 41 -2.302 -20.512 5.975 283 HG21 VAL 41 HG21 VAL 41 -2.241 -22.450 4.161 284 HG22 VAL 41 HG22 VAL 41 -0.641 -23.128 3.859 285 HG23 VAL 41 HG23 VAL 41 -1.321 -23.165 5.487 286 H GLU 42 H GLU 42 1.667 -19.992 4.206 287 HA GLU 42 HA GLU 42 1.567 -17.067 4.091 288 HB2 GLU 42 HB2 GLU 42 2.489 -18.712 6.439 289 HB3 GLU 42 HB3 GLU 42 3.047 -17.065 6.185 290 HG2 GLU 42 HG2 GLU 42 0.574 -16.433 6.096 291 HG3 GLU 42 HG3 GLU 42 0.273 -18.031 6.776 292 HA PRO 43 HA PRO 43 5.428 -17.382 2.031 293 HB2 PRO 43 HB2 PRO 43 6.674 -15.112 2.850 294 HB3 PRO 43 HB3 PRO 43 5.319 -15.109 1.716 295 HG2 PRO 43 HG2 PRO 43 5.326 -14.566 4.659 296 HG3 PRO 43 HG3 PRO 43 4.470 -13.707 3.366 297 HD2 PRO 43 HD2 PRO 43 3.252 -15.521 4.964 298 HD3 PRO 43 HD3 PRO 43 2.783 -15.274 3.270 299 H ASN 44 H ASN 44 7.922 -16.744 2.627 300 HA ASN 44 HA ASN 44 8.670 -18.691 4.588 301 HB2 ASN 44 HB2 ASN 44 10.636 -16.767 3.404 302 HB3 ASN 44 HB3 ASN 44 10.831 -18.480 3.769 303 HD21 ASN 44 HD21 ASN 44 11.262 -16.827 1.310 304 HD22 ASN 44 HD22 ASN 44 10.397 -17.661 0.069 305 H GLU 45 H GLU 45 10.889 -17.700 5.815 306 HA GLU 45 HA GLU 45 9.788 -16.267 7.992 307 HB2 GLU 45 HB2 GLU 45 11.968 -16.350 8.960 308 HB3 GLU 45 HB3 GLU 45 11.717 -17.869 8.112 309 HG2 GLU 45 HG2 GLU 45 12.957 -16.790 6.164 310 HG3 GLU 45 HG3 GLU 45 13.446 -15.554 7.322 311 H ASN 46 H ASN 46 11.055 -15.254 5.005 312 HA ASN 46 HA ASN 46 11.704 -12.577 5.984 313 HB2 ASN 46 HB2 ASN 46 12.123 -13.959 3.337 314 HB3 ASN 46 HB3 ASN 46 12.383 -12.229 3.544 315 HD21 ASN 46 HD21 ASN 46 13.740 -15.283 3.780 316 HD22 ASN 46 HD22 ASN 46 15.184 -14.857 4.629 317 H GLY 47 H GLY 47 9.295 -14.314 4.169 318 HA2 GLY 47 HA2 GLY 47 7.056 -13.458 4.040 319 HA3 GLY 47 HA3 GLY 47 7.720 -11.832 4.010 320 H ILE 48 H ILE 48 8.968 -14.472 2.072 321 HA ILE 48 HA ILE 48 7.862 -13.159 -0.324 322 HB ILE 48 HB ILE 48 10.547 -14.529 -0.134 323 HG12 ILE 48 HG12 ILE 48 9.915 -11.577 -0.349 324 HG13 ILE 48 HG13 ILE 48 10.460 -12.386 1.117 325 HG21 ILE 48 HG21 ILE 48 9.246 -12.966 -2.360 326 HG22 ILE 48 HG22 ILE 48 10.906 -13.559 -2.370 327 HG23 ILE 48 HG23 ILE 48 9.561 -14.701 -2.339 328 HD11 ILE 48 HD11 ILE 48 11.984 -11.937 -1.428 329 HD12 ILE 48 HD12 ILE 48 12.350 -11.341 0.192 330 HD13 ILE 48 HD13 ILE 48 12.519 -13.057 -0.175 331 H TYR 49 H TYR 49 7.210 -14.476 -2.025 332 HA TYR 49 HA TYR 49 6.725 -17.268 -1.273 333 HB2 TYR 49 HB2 TYR 49 5.393 -15.389 -3.208 334 HB3 TYR 49 HB3 TYR 49 5.136 -17.128 -3.306 335 HD1 TYR 49 HD1 TYR 49 4.902 -14.265 -0.932 336 HD2 TYR 49 HD2 TYR 49 3.488 -18.133 -2.001 337 HE1 TYR 49 HE1 TYR 49 3.155 -14.096 0.791 338 HE2 TYR 49 HE2 TYR 49 1.736 -17.974 -0.282 339 HH TYR 49 HH TYR 49 1.372 -15.054 1.706 340 H SER 50 H SER 50 6.407 -18.587 -3.530 341 HA SER 50 HA SER 50 9.092 -18.610 -4.671 342 HB2 SER 50 HB2 SER 50 6.942 -20.589 -4.282 343 HB3 SER 50 HB3 SER 50 7.818 -20.743 -5.804 344 HG SER 50 HG SER 50 9.174 -20.463 -3.345 345 H GLN 51 H GLN 51 5.993 -19.429 -6.195 346 HA GLN 51 HA GLN 51 6.681 -17.591 -8.392 347 HB2 GLN 51 HB2 GLN 51 5.693 -20.417 -8.461 348 HB3 GLN 51 HB3 GLN 51 5.284 -19.322 -9.776 349 HG2 GLN 51 HG2 GLN 51 7.872 -18.862 -9.752 350 HG3 GLN 51 HG3 GLN 51 7.917 -20.452 -8.993 351 HE21 GLN 51 HE21 GLN 51 7.200 -18.670 -11.880 352 HE22 GLN 51 HE22 GLN 51 7.079 -20.031 -12.937 353 H HIS 52 H HIS 52 3.921 -19.467 -7.126 354 HA HIS 52 HA HIS 52 2.019 -17.561 -8.111 355 HB2 HIS 52 HB2 HIS 52 1.877 -20.085 -6.513 356 HB3 HIS 52 HB3 HIS 52 0.485 -19.006 -6.524 357 HD1 HIS 52 HD1 HIS 52 -0.870 -18.844 -8.697 358 HD2 HIS 52 HD2 HIS 52 2.417 -21.371 -8.960 359 HE1 HIS 52 HE1 HIS 52 -1.171 -20.118 -10.845 360 H CYS 53 H CYS 53 0.333 -16.644 -6.590 361 HA CYS 53 HA CYS 53 1.657 -15.593 -4.175 362 HB2 CYS 53 HB2 CYS 53 -0.007 -14.260 -6.268 363 HB3 CYS 53 HB3 CYS 53 -0.104 -13.664 -4.614 364 HA PRO 54 HA PRO 54 -1.664 -17.014 -1.686 365 HB2 PRO 54 HB2 PRO 54 -1.975 -14.980 0.087 366 HB3 PRO 54 HB3 PRO 54 -0.588 -16.075 0.116 367 HG2 PRO 54 HG2 PRO 54 -0.800 -13.317 -1.027 368 HG3 PRO 54 HG3 PRO 54 0.510 -14.035 -0.072 369 HD2 PRO 54 HD2 PRO 54 0.634 -13.796 -2.767 370 HD3 PRO 54 HD3 PRO 54 1.402 -15.135 -1.891 371 H CYS 55 H CYS 55 -3.868 -16.506 -0.888 372 HA CYS 55 HA CYS 55 -5.455 -15.394 -2.963 373 HB2 CYS 55 HB2 CYS 55 -6.175 -16.276 -0.161 374 HB3 CYS 55 HB3 CYS 55 -7.353 -15.811 -1.384 375 H GLY 56 H GLY 56 -6.161 -13.379 -3.258 376 HA2 GLY 56 HA2 GLY 56 -6.462 -11.573 -0.996 377 HA3 GLY 56 HA3 GLY 56 -5.245 -11.118 -2.179 378 H GLU 57 H GLU 57 -7.990 -12.808 -3.364 379 HA GLU 57 HA GLU 57 -9.202 -10.275 -4.250 380 HB2 GLU 57 HB2 GLU 57 -9.581 -11.167 -6.441 381 HB3 GLU 57 HB3 GLU 57 -7.879 -11.387 -6.060 382 HG2 GLU 57 HG2 GLU 57 -8.227 -13.713 -5.590 383 HG3 GLU 57 HG3 GLU 57 -9.970 -13.530 -5.774 384 H GLY 58 H GLY 58 -9.865 -12.126 -2.041 385 HA2 GLY 58 HA2 GLY 58 -12.041 -12.434 -1.144 386 HA3 GLY 58 HA3 GLY 58 -12.673 -12.531 -2.780 387 H LEU 59 H LEU 59 -9.824 -14.328 -2.085 388 HA LEU 59 HA LEU 59 -11.416 -16.802 -2.125 389 HB2 LEU 59 HB2 LEU 59 -8.521 -16.438 -2.877 390 HB3 LEU 59 HB3 LEU 59 -9.485 -17.901 -3.068 391 HG LEU 59 HG LEU 59 -10.349 -15.420 -4.477 392 HD11 LEU 59 HD11 LEU 59 -7.920 -15.613 -4.895 393 HD12 LEU 59 HD12 LEU 59 -8.895 -15.869 -6.342 394 HD13 LEU 59 HD13 LEU 59 -8.184 -17.249 -5.504 395 HD21 LEU 59 HD21 LEU 59 -11.313 -16.930 -6.003 396 HD22 LEU 59 HD22 LEU 59 -11.628 -17.615 -4.409 397 HD23 LEU 59 HD23 LEU 59 -10.338 -18.276 -5.415 398 H SER 60 H SER 60 -9.996 -18.696 -1.151 399 HA SER 60 HA SER 60 -8.519 -17.908 1.216 400 HB2 SER 60 HB2 SER 60 -11.177 -18.092 1.586 401 HB3 SER 60 HB3 SER 60 -10.743 -19.787 1.803 402 HG SER 60 HG SER 60 -10.316 -17.660 3.448 403 H CYS 61 H CYS 61 -6.851 -19.239 1.382 404 HA CYS 61 HA CYS 61 -6.416 -21.457 -0.227 405 HB2 CYS 61 HB2 CYS 61 -5.141 -20.329 2.203 406 HB3 CYS 61 HB3 CYS 61 -4.771 -22.011 1.834 407 H THR 62 H THR 62 -7.663 -23.210 -0.277 408 HA THR 62 HA THR 62 -8.339 -24.503 2.284 409 HB THR 62 HB THR 62 -10.334 -23.512 1.152 410 HG1 THR 62 HG1 THR 62 -10.639 -26.304 1.020 411 HG21 THR 62 HG21 THR 62 -11.187 -24.531 -0.878 412 HG22 THR 62 HG22 THR 62 -9.801 -25.621 -0.945 413 HG23 THR 62 HG23 THR 62 -9.573 -23.887 -1.173 414 H LYS 63 H LYS 63 -8.289 -26.763 2.347 415 HA LYS 63 HA LYS 63 -6.436 -27.960 0.483 416 HB2 LYS 63 HB2 LYS 63 -6.767 -28.303 3.118 417 HB3 LYS 63 HB3 LYS 63 -7.803 -29.605 2.547 418 HG2 LYS 63 HG2 LYS 63 -5.948 -30.559 1.298 419 HG3 LYS 63 HG3 LYS 63 -4.904 -29.235 1.821 420 HD2 LYS 63 HD2 LYS 63 -4.676 -30.067 3.925 421 HD3 LYS 63 HD3 LYS 63 -6.301 -30.757 3.944 422 HE2 LYS 63 HE2 LYS 63 -4.395 -31.967 2.043 423 HE3 LYS 63 HE3 LYS 63 -4.050 -32.225 3.752 424 HZ1 LYS 63 HZ1 LYS 63 -6.568 -32.908 2.333 425 HZ2 LYS 63 HZ2 LYS 63 -6.340 -33.055 4.003 426 HZ3 LYS 63 HZ3 LYS 63 -5.422 -33.996 2.938 427 H VAL 64 H VAL 64 -6.991 -29.035 -1.287 428 HA VAL 64 HA VAL 64 -9.664 -30.270 -1.409 429 HB VAL 64 HB VAL 64 -9.718 -29.761 -3.830 430 HG11 VAL 64 HG11 VAL 64 -9.656 -27.615 -1.763 431 HG12 VAL 64 HG12 VAL 64 -9.869 -27.166 -3.457 432 HG13 VAL 64 HG13 VAL 64 -11.018 -28.258 -2.682 433 HG21 VAL 64 HG21 VAL 64 -8.124 -28.501 -4.925 434 HG22 VAL 64 HG22 VAL 64 -7.506 -27.790 -3.435 435 HG23 VAL 64 HG23 VAL 64 -7.129 -29.465 -3.836 436 H GLY 65 H GLY 65 -6.679 -31.113 -0.985 437 HA2 GLY 65 HA2 GLY 65 -6.968 -33.666 -2.243 438 HA3 GLY 65 HA3 GLY 65 -5.750 -32.682 -3.043 439 H GLU 66 H GLU 66 -4.415 -34.576 -2.326 440 HA GLU 66 HA GLU 66 -3.202 -33.926 0.257 441 HB2 GLU 66 HB2 GLU 66 -3.257 -36.804 -0.301 442 HB3 GLU 66 HB3 GLU 66 -3.530 -35.944 1.208 443 HG2 GLU 66 HG2 GLU 66 -5.813 -35.367 0.363 444 HG3 GLU 66 HG3 GLU 66 -5.514 -36.453 -0.993 445 HA PRO 67 HA PRO 67 -1.655 -35.459 1.444 446 HB2 PRO 67 HB2 PRO 67 0.735 -34.473 2.274 447 HB3 PRO 67 HB3 PRO 67 0.526 -36.134 1.706 448 HG2 PRO 67 HG2 PRO 67 1.579 -33.748 0.237 449 HG3 PRO 67 HG3 PRO 67 2.188 -35.414 0.249 450 HD2 PRO 67 HD2 PRO 67 0.673 -34.432 -1.769 451 HD3 PRO 67 HD3 PRO 67 0.612 -36.135 -1.271 452 H ASN 68 H ASN 68 -0.072 -32.583 0.057 453 HA ASN 68 HA ASN 68 -1.859 -30.917 1.695 454 HB2 ASN 68 HB2 ASN 68 0.474 -30.986 2.629 455 HB3 ASN 68 HB3 ASN 68 1.037 -30.256 1.129 456 HD21 ASN 68 HD21 ASN 68 1.548 -28.233 1.549 457 HD22 ASN 68 HD22 ASN 68 0.580 -27.105 2.430 458 H LYS 69 H LYS 69 -3.006 -31.121 -0.456 459 HA LYS 69 HA LYS 69 -1.896 -29.410 -2.547 460 HB2 LYS 69 HB2 LYS 69 -2.911 -31.597 -3.147 461 HB3 LYS 69 HB3 LYS 69 -4.455 -31.021 -2.535 462 HG2 LYS 69 HG2 LYS 69 -4.659 -29.427 -4.255 463 HG3 LYS 69 HG3 LYS 69 -2.967 -29.608 -4.728 464 HD2 LYS 69 HD2 LYS 69 -3.358 -31.751 -5.651 465 HD3 LYS 69 HD3 LYS 69 -4.949 -31.867 -4.895 466 HE2 LYS 69 HE2 LYS 69 -5.482 -29.753 -6.311 467 HE3 LYS 69 HE3 LYS 69 -4.084 -30.253 -7.262 468 HZ1 LYS 69 HZ1 LYS 69 -6.382 -32.033 -6.672 469 HZ2 LYS 69 HZ2 LYS 69 -5.121 -32.311 -7.765 470 HZ3 LYS 69 HZ3 LYS 69 -6.261 -31.101 -8.079 471 H LEU 70 H LEU 70 -2.094 -27.475 -1.214 472 HA LEU 70 HA LEU 70 -4.755 -26.538 -0.576 473 HB2 LEU 70 HB2 LEU 70 -2.288 -26.065 0.483 474 HB3 LEU 70 HB3 LEU 70 -2.546 -24.613 -0.483 475 HG LEU 70 HG LEU 70 -4.614 -24.163 0.748 476 HD11 LEU 70 HD11 LEU 70 -4.209 -25.949 2.954 477 HD12 LEU 70 HD12 LEU 70 -4.421 -26.865 1.462 478 HD13 LEU 70 HD13 LEU 70 -5.647 -25.702 1.965 479 HD21 LEU 70 HD21 LEU 70 -2.981 -22.969 1.773 480 HD22 LEU 70 HD22 LEU 70 -1.979 -24.388 2.080 481 HD23 LEU 70 HD23 LEU 70 -3.375 -24.055 3.107 482 H ARG 71 H ARG 71 -5.924 -25.028 -1.654 483 HA ARG 71 HA ARG 71 -4.720 -23.626 -3.915 484 HB2 ARG 71 HB2 ARG 71 -7.281 -25.199 -4.220 485 HB3 ARG 71 HB3 ARG 71 -6.424 -24.308 -5.472 486 HG2 ARG 71 HG2 ARG 71 -4.471 -25.945 -4.875 487 HG3 ARG 71 HG3 ARG 71 -5.784 -26.940 -4.241 488 HD2 ARG 71 HD2 ARG 71 -6.699 -27.294 -6.307 489 HD3 ARG 71 HD3 ARG 71 -6.101 -25.765 -6.952 490 HE ARG 71 HE ARG 71 -3.998 -27.615 -6.379 491 HH11 ARG 71 HH11 ARG 71 -6.414 -26.722 -8.719 492 HH12 ARG 71 HH12 ARG 71 -5.554 -27.402 -10.061 493 HH21 ARG 71 HH21 ARG 71 -2.856 -28.516 -8.135 494 HH22 ARG 71 HH22 ARG 71 -3.530 -28.423 -9.727 495 H CYS 72 H CYS 72 -6.387 -22.070 -4.894 496 HA CYS 72 HA CYS 72 -7.512 -20.550 -2.707 497 HB2 CYS 72 HB2 CYS 72 -6.786 -20.048 -5.518 498 HB3 CYS 72 HB3 CYS 72 -8.206 -19.171 -4.957 499 H GLN 73 H GLN 73 -9.622 -20.282 -2.229 500 HA GLN 73 HA GLN 73 -11.666 -21.197 -4.092 501 HB2 GLN 73 HB2 GLN 73 -11.009 -23.149 -2.641 502 HB3 GLN 73 HB3 GLN 73 -11.589 -22.232 -1.257 503 HG2 GLN 73 HG2 GLN 73 -13.180 -23.929 -2.216 504 HG3 GLN 73 HG3 GLN 73 -13.815 -22.297 -2.013 505 HE21 GLN 73 HE21 GLN 73 -11.731 -23.628 -4.538 506 HE22 GLN 73 HE22 GLN 73 -12.810 -23.306 -5.847 507 H GLU 74 H GLU 74 -13.406 -19.916 -4.059 508 HA GLU 74 HA GLU 74 -13.493 -17.514 -2.706 509 HB2 GLU 74 HB2 GLU 74 -15.938 -17.494 -3.268 510 HB3 GLU 74 HB3 GLU 74 -14.876 -17.833 -4.627 511 HG2 GLU 74 HG2 GLU 74 -15.337 -20.257 -4.291 512 HG3 GLU 74 HG3 GLU 74 -16.532 -19.806 -3.076 513 H GLU 75 H GLU 75 -13.659 -17.084 -0.616 514 HA GLU 75 HA GLU 75 -14.405 -18.986 1.328 515 HB2 GLU 75 HB2 GLU 75 -12.992 -16.758 1.484 516 HB3 GLU 75 HB3 GLU 75 -14.546 -16.063 1.921 517 HG2 GLU 75 HG2 GLU 75 -13.628 -18.518 3.327 518 HG3 GLU 75 HG3 GLU 75 -12.898 -16.969 3.746 519 H SER 76 H SER 76 -16.230 -19.093 2.670 520 HA SER 76 HA SER 76 -18.703 -18.695 1.376 521 HB2 SER 76 HB2 SER 76 -19.665 -19.285 3.654 522 HB3 SER 76 HB3 SER 76 -18.555 -20.468 2.964 523 HG SER 76 HG SER 76 -18.210 -18.752 5.141 Start of MODEL 9 1 H1 SER 1 H SER 1 1.283 0.976 -0.811 2 HA SER 1 HA SER 1 1.755 -0.185 -3.239 3 HB2 SER 1 HB2 SER 1 3.280 1.778 -1.586 4 HB3 SER 1 HB3 SER 1 4.054 1.126 -3.030 5 HG SER 1 HG SER 1 1.797 1.732 -3.948 6 H VAL 2 H VAL 2 2.768 -1.949 -3.914 7 HA VAL 2 HA VAL 2 4.266 -3.578 -2.086 8 HB VAL 2 HB VAL 2 3.942 -3.983 -5.059 9 HG11 VAL 2 HG11 VAL 2 4.738 -6.098 -4.773 10 HG12 VAL 2 HG12 VAL 2 5.625 -5.292 -3.478 11 HG13 VAL 2 HG13 VAL 2 4.164 -6.209 -3.109 12 HG21 VAL 2 HG21 VAL 2 1.748 -3.735 -4.067 13 HG22 VAL 2 HG22 VAL 2 2.029 -5.428 -4.475 14 HG23 VAL 2 HG23 VAL 2 2.160 -4.891 -2.800 15 H THR 3 H THR 3 6.414 -3.764 -1.875 16 HA THR 3 HA THR 3 8.153 -2.575 -3.920 17 HB THR 3 HB THR 3 8.608 -2.144 -0.966 18 HG1 THR 3 HG1 THR 3 7.342 -0.460 -1.110 19 HG21 THR 3 HG21 THR 3 10.021 -1.383 -3.471 20 HG22 THR 3 HG22 THR 3 10.676 -1.854 -1.903 21 HG23 THR 3 HG23 THR 3 10.023 -0.233 -2.135 22 H CYS 4 H CYS 4 9.281 -4.261 -4.647 23 HA CYS 4 HA CYS 4 10.685 -5.934 -2.689 24 HB2 CYS 4 HB2 CYS 4 9.376 -7.079 -5.158 25 HB3 CYS 4 HB3 CYS 4 10.150 -7.963 -3.847 26 H GLY 5 H GLY 5 12.755 -6.433 -3.218 27 HA2 GLY 5 HA2 GLY 5 14.746 -6.410 -4.364 28 HA3 GLY 5 HA3 GLY 5 13.796 -6.483 -5.841 29 H GLY 6 H GLY 6 13.762 -3.945 -3.373 30 HA2 GLY 6 HA2 GLY 6 14.204 -1.698 -3.514 31 HA3 GLY 6 HA3 GLY 6 15.481 -2.137 -4.637 32 H LYS 7 H LYS 7 12.132 -2.888 -5.264 33 HA LYS 7 HA LYS 7 11.856 -0.600 -7.052 34 HB2 LYS 7 HB2 LYS 7 12.079 -3.444 -7.910 35 HB3 LYS 7 HB3 LYS 7 10.919 -2.424 -8.750 36 HG2 LYS 7 HG2 LYS 7 13.002 -0.798 -8.887 37 HG3 LYS 7 HG3 LYS 7 13.881 -2.322 -8.734 38 HD2 LYS 7 HD2 LYS 7 13.661 -2.267 -11.000 39 HD3 LYS 7 HD3 LYS 7 12.139 -3.065 -10.599 40 HE2 LYS 7 HE2 LYS 7 12.262 -0.083 -10.744 41 HE3 LYS 7 HE3 LYS 7 12.168 -1.026 -12.230 42 HZ1 LYS 7 HZ1 LYS 7 9.977 -0.927 -11.875 43 HZ2 LYS 7 HZ2 LYS 7 10.141 -0.518 -10.243 44 HZ3 LYS 7 HZ3 LYS 7 10.237 -2.138 -10.722 45 H GLN 8 H GLN 8 9.775 0.075 -7.316 46 HA GLN 8 HA GLN 8 7.789 -1.190 -5.610 47 HB2 GLN 8 HB2 GLN 8 8.049 1.464 -6.954 48 HB3 GLN 8 HB3 GLN 8 6.447 0.900 -6.502 49 HG2 GLN 8 HG2 GLN 8 6.892 1.005 -4.252 50 HG3 GLN 8 HG3 GLN 8 8.633 0.850 -4.481 51 HE21 GLN 8 HE21 GLN 8 9.244 2.625 -3.345 52 HE22 GLN 8 HE22 GLN 8 8.862 4.244 -3.811 53 H CYS 9 H CYS 9 5.746 -1.865 -6.311 54 HA CYS 9 HA CYS 9 5.331 -2.079 -9.203 55 HB2 CYS 9 HB2 CYS 9 5.707 -4.315 -7.288 56 HB3 CYS 9 HB3 CYS 9 4.420 -4.501 -8.475 57 H LYS 10 H LYS 10 3.071 -2.989 -9.650 58 HA LYS 10 HA LYS 10 1.165 -1.295 -8.492 59 HB2 LYS 10 HB2 LYS 10 1.028 -3.697 -10.271 60 HB3 LYS 10 HB3 LYS 10 -0.458 -3.059 -9.580 61 HG2 LYS 10 HG2 LYS 10 1.491 -1.443 -11.208 62 HG3 LYS 10 HG3 LYS 10 0.035 -2.208 -11.848 63 HD2 LYS 10 HD2 LYS 10 -1.331 -0.883 -10.302 64 HD3 LYS 10 HD3 LYS 10 0.129 -0.112 -9.678 65 HE2 LYS 10 HE2 LYS 10 -0.030 0.043 -12.567 66 HE3 LYS 10 HE3 LYS 10 -1.442 0.761 -11.794 67 HZ1 LYS 10 HZ1 LYS 10 1.293 1.676 -11.846 68 HZ2 LYS 10 HZ2 LYS 10 0.582 1.734 -10.312 69 HZ3 LYS 10 HZ3 LYS 10 -0.138 2.550 -11.608 70 HA PRO 11 HA PRO 11 -0.279 -3.323 -4.880 71 HB2 PRO 11 HB2 PRO 11 -2.964 -2.938 -5.016 72 HB3 PRO 11 HB3 PRO 11 -1.823 -1.635 -4.658 73 HG2 PRO 11 HG2 PRO 11 -3.151 -2.332 -7.250 74 HG3 PRO 11 HG3 PRO 11 -2.893 -0.738 -6.517 75 HD2 PRO 11 HD2 PRO 11 -1.319 -1.702 -8.498 76 HD3 PRO 11 HD3 PRO 11 -0.703 -0.625 -7.228 77 H ASN 12 H ASN 12 -1.906 -4.971 -4.063 78 HA ASN 12 HA ASN 12 -2.691 -7.104 -4.097 79 HB2 ASN 12 HB2 ASN 12 -3.509 -6.161 -6.842 80 HB3 ASN 12 HB3 ASN 12 -3.909 -7.772 -6.253 81 HD21 ASN 12 HD21 ASN 12 -4.319 -4.338 -5.666 82 HD22 ASN 12 HD22 ASN 12 -5.785 -4.478 -4.762 83 H SER 13 H SER 13 0.061 -6.741 -4.651 84 HA SER 13 HA SER 13 0.568 -9.203 -6.153 85 HB2 SER 13 HB2 SER 13 2.493 -6.956 -6.544 86 HB3 SER 13 HB3 SER 13 2.087 -8.290 -7.625 87 HG SER 13 HG SER 13 1.083 -6.626 -8.554 88 H CYS 14 H CYS 14 1.739 -10.544 -4.965 89 HA CYS 14 HA CYS 14 3.124 -9.551 -2.611 90 HB2 CYS 14 HB2 CYS 14 3.231 -11.813 -1.887 91 HB3 CYS 14 HB3 CYS 14 1.637 -11.606 -2.607 92 H CYS 15 H CYS 15 5.291 -10.575 -2.094 93 HA CYS 15 HA CYS 15 7.051 -10.123 -4.367 94 HB2 CYS 15 HB2 CYS 15 7.849 -10.700 -1.512 95 HB3 CYS 15 HB3 CYS 15 8.827 -9.954 -2.771 96 H VAL 16 H VAL 16 8.098 -11.671 -5.446 97 HA VAL 16 HA VAL 16 8.115 -14.391 -4.309 98 HB VAL 16 HB VAL 16 8.075 -15.177 -6.729 99 HG11 VAL 16 HG11 VAL 16 5.919 -14.256 -5.024 100 HG12 VAL 16 HG12 VAL 16 5.465 -14.255 -6.729 101 HG13 VAL 16 HG13 VAL 16 6.055 -15.736 -5.972 102 HG21 VAL 16 HG21 VAL 16 6.962 -12.421 -7.225 103 HG22 VAL 16 HG22 VAL 16 8.596 -12.917 -7.666 104 HG23 VAL 16 HG23 VAL 16 7.204 -13.710 -8.404 105 H GLN 17 H GLN 17 9.898 -15.727 -4.866 106 HA GLN 17 HA GLN 17 12.283 -14.202 -5.674 107 HB2 GLN 17 HB2 GLN 17 11.805 -16.246 -3.587 108 HB3 GLN 17 HB3 GLN 17 13.330 -16.369 -4.453 109 HG2 GLN 17 HG2 GLN 17 12.542 -13.710 -3.406 110 HG3 GLN 17 HG3 GLN 17 13.074 -14.933 -2.254 111 HE21 GLN 17 HE21 GLN 17 14.484 -12.618 -2.570 112 HE22 GLN 17 HE22 GLN 17 16.000 -12.953 -3.330 113 H ASN 18 H ASN 18 13.544 -14.929 -7.306 114 HA ASN 18 HA ASN 18 13.204 -17.620 -8.343 115 HB2 ASN 18 HB2 ASN 18 11.592 -15.748 -9.431 116 HB3 ASN 18 HB3 ASN 18 13.021 -15.529 -10.436 117 HD21 ASN 18 HD21 ASN 18 10.240 -17.335 -9.913 118 HD22 ASN 18 HD22 ASN 18 10.552 -18.614 -11.032 119 H SER 19 H SER 19 15.216 -18.335 -8.512 120 HA SER 19 HA SER 19 17.259 -16.526 -9.624 121 HB2 SER 19 HB2 SER 19 18.808 -18.132 -8.152 122 HB3 SER 19 HB3 SER 19 18.081 -16.669 -7.487 123 HG SER 19 HG SER 19 17.198 -19.345 -7.210 124 H HIS 20 H HIS 20 19.101 -17.672 -10.630 125 HA HIS 20 HA HIS 20 18.142 -20.059 -12.049 126 HB2 HIS 20 HB2 HIS 20 20.262 -18.033 -12.788 127 HB3 HIS 20 HB3 HIS 20 19.904 -19.478 -13.728 128 HD1 HIS 20 HD1 HIS 20 19.205 -16.037 -13.759 129 HD2 HIS 20 HD2 HIS 20 16.890 -19.435 -14.350 130 HE1 HIS 20 HE1 HIS 20 17.181 -15.258 -15.031 131 H GLY 21 H GLY 21 20.371 -19.027 -9.707 132 HA2 GLY 21 HA2 GLY 21 21.552 -20.652 -8.397 133 HA3 GLY 21 HA3 GLY 21 21.700 -21.649 -9.835 134 H LYS 22 H LYS 22 22.360 -18.195 -9.655 135 HA LYS 22 HA LYS 22 25.166 -18.786 -10.323 136 HB2 LYS 22 HB2 LYS 22 23.712 -17.494 -11.971 137 HB3 LYS 22 HB3 LYS 22 23.733 -16.176 -10.806 138 HG2 LYS 22 HG2 LYS 22 25.458 -15.565 -12.170 139 HG3 LYS 22 HG3 LYS 22 26.329 -16.499 -10.951 140 HD2 LYS 22 HD2 LYS 22 26.445 -18.401 -12.374 141 HD3 LYS 22 HD3 LYS 22 25.311 -17.689 -13.524 142 HE2 LYS 22 HE2 LYS 22 27.028 -15.841 -13.834 143 HE3 LYS 22 HE3 LYS 22 28.153 -16.881 -12.961 144 HZ1 LYS 22 HZ1 LYS 22 27.444 -16.974 -15.671 145 HZ2 LYS 22 HZ2 LYS 22 26.926 -18.413 -14.948 146 HZ3 LYS 22 HZ3 LYS 22 28.550 -17.950 -14.841 147 H GLY 23 H GLY 23 23.083 -17.349 -8.004 148 HA2 GLY 23 HA2 GLY 23 23.965 -16.965 -5.783 149 HA3 GLY 23 HA3 GLY 23 25.450 -16.391 -6.528 150 H LYS 24 H LYS 24 22.611 -15.337 -8.078 151 HA LYS 24 HA LYS 24 22.819 -12.728 -6.722 152 HB2 LYS 24 HB2 LYS 24 22.569 -13.448 -9.609 153 HB3 LYS 24 HB3 LYS 24 21.819 -11.959 -9.049 154 HG2 LYS 24 HG2 LYS 24 23.975 -11.188 -8.200 155 HG3 LYS 24 HG3 LYS 24 24.728 -12.682 -8.760 156 HD2 LYS 24 HD2 LYS 24 23.209 -10.933 -10.659 157 HD3 LYS 24 HD3 LYS 24 24.882 -10.562 -10.240 158 HE2 LYS 24 HE2 LYS 24 25.185 -13.140 -10.808 159 HE3 LYS 24 HE3 LYS 24 23.762 -12.827 -11.801 160 HZ1 LYS 24 HZ1 LYS 24 24.910 -11.215 -13.038 161 HZ2 LYS 24 HZ2 LYS 24 25.988 -12.511 -12.903 162 HZ3 LYS 24 HZ3 LYS 24 26.191 -11.138 -11.936 163 H ASP 25 H ASP 25 21.147 -12.826 -5.308 164 HA ASP 25 HA ASP 25 18.597 -13.938 -6.013 165 HB2 ASP 25 HB2 ASP 25 17.893 -13.074 -3.783 166 HB3 ASP 25 HB3 ASP 25 19.332 -14.086 -3.716 167 H SER 26 H SER 26 17.218 -12.938 -7.312 168 HA SER 26 HA SER 26 16.767 -10.063 -6.947 169 HB2 SER 26 HB2 SER 26 17.401 -11.476 -9.529 170 HB3 SER 26 HB3 SER 26 16.484 -9.970 -9.515 171 HG SER 26 HG SER 26 18.230 -8.957 -8.531 172 HA PRO 27 HA PRO 27 12.780 -12.340 -6.843 173 HB2 PRO 27 HB2 PRO 27 11.664 -10.714 -4.977 174 HB3 PRO 27 HB3 PRO 27 12.700 -12.084 -4.561 175 HG2 PRO 27 HG2 PRO 27 13.384 -9.174 -4.732 176 HG3 PRO 27 HG3 PRO 27 13.858 -10.365 -3.507 177 HD2 PRO 27 HD2 PRO 27 15.514 -9.595 -5.506 178 HD3 PRO 27 HD3 PRO 27 15.543 -11.232 -4.818 179 H ARG 28 H ARG 28 10.576 -11.542 -7.261 180 HA ARG 28 HA ARG 28 10.444 -8.876 -8.464 181 HB2 ARG 28 HB2 ARG 28 9.857 -11.479 -9.857 182 HB3 ARG 28 HB3 ARG 28 9.125 -9.969 -10.382 183 HG2 ARG 28 HG2 ARG 28 11.596 -9.121 -10.410 184 HG3 ARG 28 HG3 ARG 28 11.967 -10.843 -10.514 185 HD2 ARG 28 HD2 ARG 28 11.818 -10.284 -12.739 186 HD3 ARG 28 HD3 ARG 28 10.170 -10.818 -12.408 187 HE ARG 28 HE ARG 28 9.455 -8.703 -12.863 188 HH11 ARG 28 HH11 ARG 28 12.850 -8.586 -12.098 189 HH12 ARG 28 HH12 ARG 28 13.008 -6.901 -12.467 190 HH21 ARG 28 HH21 ARG 28 9.651 -6.484 -13.351 191 HH22 ARG 28 HH22 ARG 28 11.188 -5.705 -13.178 192 H CYS 29 H CYS 29 8.070 -8.474 -9.209 193 HA CYS 29 HA CYS 29 6.361 -9.248 -6.958 194 HB2 CYS 29 HB2 CYS 29 4.960 -7.321 -7.638 195 HB3 CYS 29 HB3 CYS 29 6.618 -6.855 -7.271 196 H HIS 30 H HIS 30 4.634 -10.518 -7.214 197 HA HIS 30 HA HIS 30 3.721 -11.078 -9.960 198 HB2 HIS 30 HB2 HIS 30 4.767 -12.881 -8.005 199 HB3 HIS 30 HB3 HIS 30 3.068 -13.266 -8.262 200 HD1 HIS 30 HD1 HIS 30 5.694 -12.188 -10.795 201 HD2 HIS 30 HD2 HIS 30 3.140 -15.361 -9.976 202 HE1 HIS 30 HE1 HIS 30 5.949 -13.773 -12.729 203 HA PRO 31 HA PRO 31 -0.313 -9.898 -8.683 204 HB2 PRO 31 HB2 PRO 31 -1.816 -11.414 -10.360 205 HB3 PRO 31 HB3 PRO 31 -0.899 -10.003 -10.901 206 HG2 PRO 31 HG2 PRO 31 -0.192 -12.906 -11.088 207 HG3 PRO 31 HG3 PRO 31 -0.005 -11.628 -12.303 208 HD2 PRO 31 HD2 PRO 31 2.056 -12.502 -10.781 209 HD3 PRO 31 HD3 PRO 31 1.930 -10.823 -11.343 210 H LEU 32 H LEU 32 -1.976 -10.534 -7.349 211 HA LEU 32 HA LEU 32 -1.612 -12.717 -5.664 212 HB2 LEU 32 HB2 LEU 32 -3.965 -10.964 -6.263 213 HB3 LEU 32 HB3 LEU 32 -4.112 -12.316 -5.141 214 HG LEU 32 HG LEU 32 -2.122 -10.076 -4.806 215 HD11 LEU 32 HD11 LEU 32 -4.960 -10.345 -3.900 216 HD12 LEU 32 HD12 LEU 32 -4.129 -8.946 -4.580 217 HD13 LEU 32 HD13 LEU 32 -3.787 -9.456 -2.927 218 HD21 LEU 32 HD21 LEU 32 -3.175 -12.015 -2.762 219 HD22 LEU 32 HD22 LEU 32 -1.795 -10.926 -2.625 220 HD23 LEU 32 HD23 LEU 32 -1.717 -12.318 -3.707 221 H GLY 33 H GLY 33 -2.675 -14.710 -5.452 222 HA2 GLY 33 HA2 GLY 33 -3.107 -16.121 -7.853 223 HA3 GLY 33 HA3 GLY 33 -3.492 -16.705 -6.241 224 H LYS 34 H LYS 34 -5.004 -17.131 -8.651 225 HA LYS 34 HA LYS 34 -7.439 -15.576 -8.101 226 HB2 LYS 34 HB2 LYS 34 -8.173 -16.104 -10.323 227 HB3 LYS 34 HB3 LYS 34 -6.521 -15.510 -10.424 228 HG2 LYS 34 HG2 LYS 34 -5.672 -17.723 -10.732 229 HG3 LYS 34 HG3 LYS 34 -7.258 -18.429 -10.410 230 HD2 LYS 34 HD2 LYS 34 -7.001 -16.453 -12.623 231 HD3 LYS 34 HD3 LYS 34 -6.381 -18.086 -12.875 232 HE2 LYS 34 HE2 LYS 34 -8.482 -19.052 -12.639 233 HE3 LYS 34 HE3 LYS 34 -9.135 -17.655 -11.783 234 HZ1 LYS 34 HZ1 LYS 34 -9.335 -16.452 -13.746 235 HZ2 LYS 34 HZ2 LYS 34 -9.833 -18.005 -14.193 236 HZ3 LYS 34 HZ3 LYS 34 -8.284 -17.462 -14.605 237 H LEU 35 H LEU 35 -9.410 -17.104 -9.026 238 HA LEU 35 HA LEU 35 -9.723 -19.073 -6.996 239 HB2 LEU 35 HB2 LEU 35 -11.678 -17.963 -7.639 240 HB3 LEU 35 HB3 LEU 35 -11.363 -18.215 -9.354 241 HG LEU 35 HG LEU 35 -11.855 -20.620 -9.052 242 HD11 LEU 35 HD11 LEU 35 -12.311 -21.582 -7.070 243 HD12 LEU 35 HD12 LEU 35 -13.162 -20.165 -6.455 244 HD13 LEU 35 HD13 LEU 35 -11.400 -20.217 -6.424 245 HD21 LEU 35 HD21 LEU 35 -14.334 -20.265 -8.541 246 HD22 LEU 35 HD22 LEU 35 -13.643 -19.361 -9.890 247 HD23 LEU 35 HD23 LEU 35 -13.923 -18.562 -8.341 248 H ASN 36 H ASN 36 -9.836 -21.305 -7.158 249 HA ASN 36 HA ASN 36 -9.222 -23.375 -7.872 250 HB2 ASN 36 HB2 ASN 36 -10.144 -22.081 -10.421 251 HB3 ASN 36 HB3 ASN 36 -9.469 -23.708 -10.444 252 HD21 ASN 36 HD21 ASN 36 -12.220 -22.528 -10.876 253 HD22 ASN 36 HD22 ASN 36 -13.251 -23.495 -9.884 254 H ASN 37 H ASN 37 -7.147 -21.507 -7.455 255 HA ASN 37 HA ASN 37 -5.145 -22.537 -9.349 256 HB2 ASN 37 HB2 ASN 37 -5.811 -19.758 -8.726 257 HB3 ASN 37 HB3 ASN 37 -4.101 -20.119 -8.513 258 HD21 ASN 37 HD21 ASN 37 -6.740 -20.685 -10.813 259 HD22 ASN 37 HD22 ASN 37 -5.780 -20.455 -12.231 260 HA PRO 38 HA PRO 38 -2.755 -23.762 -5.881 261 HB2 PRO 38 HB2 PRO 38 -0.222 -23.255 -6.715 262 HB3 PRO 38 HB3 PRO 38 -1.199 -24.577 -7.362 263 HG2 PRO 38 HG2 PRO 38 -0.682 -21.862 -8.515 264 HG3 PRO 38 HG3 PRO 38 -0.703 -23.438 -9.328 265 HD2 PRO 38 HD2 PRO 38 -2.790 -21.716 -9.431 266 HD3 PRO 38 HD3 PRO 38 -3.005 -23.478 -9.462 267 H CYS 39 H CYS 39 -2.358 -22.855 -3.965 268 HA CYS 39 HA CYS 39 -0.989 -20.280 -3.822 269 HB2 CYS 39 HB2 CYS 39 -2.640 -19.256 -2.419 270 HB3 CYS 39 HB3 CYS 39 -3.464 -19.844 -3.859 271 H GLU 40 H GLU 40 -0.557 -19.710 -1.448 272 HA GLU 40 HA GLU 40 -0.092 -22.155 0.121 273 HB2 GLU 40 HB2 GLU 40 2.022 -21.578 -0.886 274 HB3 GLU 40 HB3 GLU 40 1.854 -19.901 -0.385 275 HG2 GLU 40 HG2 GLU 40 2.378 -20.353 1.802 276 HG3 GLU 40 HG3 GLU 40 1.865 -22.036 1.689 277 H VAL 41 H VAL 41 -0.150 -21.929 2.367 278 HA VAL 41 HA VAL 41 -1.995 -20.154 3.426 279 HB VAL 41 HB VAL 41 0.245 -21.489 4.950 280 HG11 VAL 41 HG11 VAL 41 -0.702 -20.757 6.830 281 HG12 VAL 41 HG12 VAL 41 -1.640 -19.654 5.820 282 HG13 VAL 41 HG13 VAL 41 -2.315 -21.218 6.283 283 HG21 VAL 41 HG21 VAL 41 -2.470 -22.504 4.129 284 HG22 VAL 41 HG22 VAL 41 -0.897 -23.177 3.705 285 HG23 VAL 41 HG23 VAL 41 -1.474 -23.264 5.370 286 H GLU 42 H GLU 42 1.486 -20.096 4.209 287 HA GLU 42 HA GLU 42 1.419 -17.169 4.075 288 HB2 GLU 42 HB2 GLU 42 2.279 -18.826 6.437 289 HB3 GLU 42 HB3 GLU 42 2.858 -17.183 6.197 290 HG2 GLU 42 HG2 GLU 42 0.411 -16.508 6.074 291 HG3 GLU 42 HG3 GLU 42 0.055 -18.114 6.706 292 HA PRO 43 HA PRO 43 5.317 -17.514 2.091 293 HB2 PRO 43 HB2 PRO 43 6.569 -15.258 2.939 294 HB3 PRO 43 HB3 PRO 43 5.236 -15.239 1.778 295 HG2 PRO 43 HG2 PRO 43 5.191 -14.703 4.723 296 HG3 PRO 43 HG3 PRO 43 4.368 -13.834 3.415 297 HD2 PRO 43 HD2 PRO 43 3.101 -15.640 4.985 298 HD3 PRO 43 HD3 PRO 43 2.668 -15.385 3.282 299 H ASN 44 H ASN 44 7.805 -16.901 2.736 300 HA ASN 44 HA ASN 44 8.497 -18.859 4.706 301 HB2 ASN 44 HB2 ASN 44 10.503 -16.949 3.570 302 HB3 ASN 44 HB3 ASN 44 10.675 -18.664 3.932 303 HD21 ASN 44 HD21 ASN 44 11.166 -17.001 1.488 304 HD22 ASN 44 HD22 ASN 44 10.320 -17.824 0.226 305 H GLU 45 H GLU 45 10.699 -17.892 5.981 306 HA GLU 45 HA GLU 45 9.566 -16.456 8.140 307 HB2 GLU 45 HB2 GLU 45 11.714 -16.576 9.160 308 HB3 GLU 45 HB3 GLU 45 11.484 -18.080 8.279 309 HG2 GLU 45 HG2 GLU 45 12.838 -17.159 6.430 310 HG3 GLU 45 HG3 GLU 45 13.134 -15.721 7.405 311 H ASN 46 H ASN 46 10.906 -15.447 5.185 312 HA ASN 46 HA ASN 46 11.540 -12.773 6.190 313 HB2 ASN 46 HB2 ASN 46 12.207 -14.302 3.716 314 HB3 ASN 46 HB3 ASN 46 12.154 -12.545 3.614 315 HD21 ASN 46 HD21 ASN 46 14.127 -15.093 4.118 316 HD22 ASN 46 HD22 ASN 46 15.383 -14.324 5.021 317 H GLY 47 H GLY 47 9.198 -14.504 4.287 318 HA2 GLY 47 HA2 GLY 47 6.969 -13.648 4.060 319 HA3 GLY 47 HA3 GLY 47 7.634 -12.021 4.070 320 H ILE 48 H ILE 48 8.967 -14.644 2.167 321 HA ILE 48 HA ILE 48 8.004 -13.282 -0.264 322 HB ILE 48 HB ILE 48 10.612 -14.770 0.060 323 HG12 ILE 48 HG12 ILE 48 10.138 -11.800 -0.268 324 HG13 ILE 48 HG13 ILE 48 10.512 -12.582 1.263 325 HG21 ILE 48 HG21 ILE 48 10.803 -13.256 -2.204 326 HG22 ILE 48 HG22 ILE 48 10.413 -14.974 -2.161 327 HG23 ILE 48 HG23 ILE 48 9.120 -13.778 -2.250 328 HD11 ILE 48 HD11 ILE 48 12.504 -13.428 -0.485 329 HD12 ILE 48 HD12 ILE 48 12.276 -11.714 -0.831 330 HD13 ILE 48 HD13 ILE 48 12.648 -12.241 0.811 331 H TYR 49 H TYR 49 7.348 -14.546 -1.998 332 HA TYR 49 HA TYR 49 6.754 -17.338 -1.313 333 HB2 TYR 49 HB2 TYR 49 5.472 -15.379 -3.206 334 HB3 TYR 49 HB3 TYR 49 5.147 -17.105 -3.308 335 HD1 TYR 49 HD1 TYR 49 4.899 -14.155 -1.081 336 HD2 TYR 49 HD2 TYR 49 3.622 -18.142 -1.832 337 HE1 TYR 49 HE1 TYR 49 3.178 -13.925 0.661 338 HE2 TYR 49 HE2 TYR 49 1.896 -17.924 -0.094 339 HH TYR 49 HH TYR 49 1.176 -16.657 1.637 340 H SER 50 H SER 50 6.387 -18.570 -3.616 341 HA SER 50 HA SER 50 9.058 -18.567 -4.811 342 HB2 SER 50 HB2 SER 50 6.968 -20.601 -4.348 343 HB3 SER 50 HB3 SER 50 7.821 -20.743 -5.885 344 HG SER 50 HG SER 50 8.667 -21.386 -3.422 345 H GLN 51 H GLN 51 5.933 -19.488 -6.218 346 HA GLN 51 HA GLN 51 6.482 -17.640 -8.445 347 HB2 GLN 51 HB2 GLN 51 5.071 -20.291 -8.716 348 HB3 GLN 51 HB3 GLN 51 5.629 -19.235 -10.007 349 HG2 GLN 51 HG2 GLN 51 7.973 -19.650 -8.965 350 HG3 GLN 51 HG3 GLN 51 7.195 -21.056 -8.241 351 HE21 GLN 51 HE21 GLN 51 8.111 -19.509 -11.235 352 HE22 GLN 51 HE22 GLN 51 8.004 -20.922 -12.224 353 H HIS 52 H HIS 52 3.825 -19.614 -7.109 354 HA HIS 52 HA HIS 52 1.833 -17.767 -8.020 355 HB2 HIS 52 HB2 HIS 52 1.440 -19.955 -5.981 356 HB3 HIS 52 HB3 HIS 52 0.236 -19.248 -7.055 357 HD1 HIS 52 HD1 HIS 52 1.920 -22.258 -6.700 358 HD2 HIS 52 HD2 HIS 52 1.333 -19.730 -9.945 359 HE1 HIS 52 HE1 HIS 52 2.272 -23.688 -8.739 360 H CYS 53 H CYS 53 0.304 -16.666 -6.614 361 HA CYS 53 HA CYS 53 1.603 -15.699 -4.154 362 HB2 CYS 53 HB2 CYS 53 -0.039 -14.345 -6.249 363 HB3 CYS 53 HB3 CYS 53 -0.133 -13.746 -4.596 364 HA PRO 54 HA PRO 54 -1.734 -17.067 -1.659 365 HB2 PRO 54 HB2 PRO 54 -2.015 -15.027 0.111 366 HB3 PRO 54 HB3 PRO 54 -0.645 -16.142 0.140 367 HG2 PRO 54 HG2 PRO 54 -0.818 -13.383 -1.007 368 HG3 PRO 54 HG3 PRO 54 0.483 -14.118 -0.052 369 HD2 PRO 54 HD2 PRO 54 0.607 -13.884 -2.747 370 HD3 PRO 54 HD3 PRO 54 1.358 -15.233 -1.870 371 H CYS 55 H CYS 55 -3.930 -16.528 -0.860 372 HA CYS 55 HA CYS 55 -5.494 -15.372 -2.937 373 HB2 CYS 55 HB2 CYS 55 -6.234 -16.320 -0.162 374 HB3 CYS 55 HB3 CYS 55 -7.406 -15.798 -1.368 375 H GLY 56 H GLY 56 -6.207 -13.351 -3.186 376 HA2 GLY 56 HA2 GLY 56 -6.502 -11.590 -0.890 377 HA3 GLY 56 HA3 GLY 56 -5.270 -11.120 -2.051 378 H GLU 57 H GLU 57 -8.029 -12.759 -3.284 379 HA GLU 57 HA GLU 57 -9.204 -10.197 -4.135 380 HB2 GLU 57 HB2 GLU 57 -9.585 -11.051 -6.343 381 HB3 GLU 57 HB3 GLU 57 -7.886 -11.284 -5.958 382 HG2 GLU 57 HG2 GLU 57 -8.232 -13.614 -5.543 383 HG3 GLU 57 HG3 GLU 57 -9.979 -13.428 -5.699 384 H GLY 58 H GLY 58 -9.912 -12.054 -1.957 385 HA2 GLY 58 HA2 GLY 58 -12.083 -12.374 -1.074 386 HA3 GLY 58 HA3 GLY 58 -12.719 -12.404 -2.712 387 H LEU 59 H LEU 59 -9.904 -14.277 -2.024 388 HA LEU 59 HA LEU 59 -11.539 -16.718 -2.191 389 HB2 LEU 59 HB2 LEU 59 -8.617 -16.380 -2.849 390 HB3 LEU 59 HB3 LEU 59 -9.598 -17.821 -3.114 391 HG LEU 59 HG LEU 59 -10.355 -15.270 -4.468 392 HD11 LEU 59 HD11 LEU 59 -8.294 -17.171 -5.563 393 HD12 LEU 59 HD12 LEU 59 -7.903 -15.625 -4.813 394 HD13 LEU 59 HD13 LEU 59 -8.871 -15.671 -6.287 395 HD21 LEU 59 HD21 LEU 59 -11.780 -17.325 -4.516 396 HD22 LEU 59 HD22 LEU 59 -10.477 -18.139 -5.383 397 HD23 LEU 59 HD23 LEU 59 -11.279 -16.743 -6.104 398 H SER 60 H SER 60 -10.225 -18.672 -1.226 399 HA SER 60 HA SER 60 -8.841 -17.962 1.235 400 HB2 SER 60 HB2 SER 60 -11.513 -18.272 1.430 401 HB3 SER 60 HB3 SER 60 -11.008 -19.953 1.609 402 HG SER 60 HG SER 60 -10.803 -19.291 3.623 403 H CYS 61 H CYS 61 -7.107 -19.208 1.344 404 HA CYS 61 HA CYS 61 -6.566 -21.362 -0.329 405 HB2 CYS 61 HB2 CYS 61 -5.329 -20.166 2.062 406 HB3 CYS 61 HB3 CYS 61 -4.937 -21.863 1.802 407 H THR 62 H THR 62 -7.739 -23.165 -0.422 408 HA THR 62 HA THR 62 -8.371 -24.537 2.111 409 HB THR 62 HB THR 62 -10.397 -23.633 0.962 410 HG1 THR 62 HG1 THR 62 -11.468 -25.368 1.613 411 HG21 THR 62 HG21 THR 62 -11.159 -24.597 -1.103 412 HG22 THR 62 HG22 THR 62 -9.786 -25.703 -1.148 413 HG23 THR 62 HG23 THR 62 -9.531 -23.971 -1.357 414 H LYS 63 H LYS 63 -7.855 -26.657 2.271 415 HA LYS 63 HA LYS 63 -6.040 -27.762 0.369 416 HB2 LYS 63 HB2 LYS 63 -5.848 -28.221 2.773 417 HB3 LYS 63 HB3 LYS 63 -7.398 -29.051 2.745 418 HG2 LYS 63 HG2 LYS 63 -6.510 -30.786 1.347 419 HG3 LYS 63 HG3 LYS 63 -4.984 -29.917 1.169 420 HD2 LYS 63 HD2 LYS 63 -4.327 -30.364 3.348 421 HD3 LYS 63 HD3 LYS 63 -5.980 -30.660 3.892 422 HE2 LYS 63 HE2 LYS 63 -6.012 -32.724 2.525 423 HE3 LYS 63 HE3 LYS 63 -4.323 -32.440 2.105 424 HZ1 LYS 63 HZ1 LYS 63 -5.486 -33.329 4.634 425 HZ2 LYS 63 HZ2 LYS 63 -4.116 -32.339 4.715 426 HZ3 LYS 63 HZ3 LYS 63 -4.050 -33.807 3.877 427 H VAL 64 H VAL 64 -6.480 -28.905 -1.392 428 HA VAL 64 HA VAL 64 -9.144 -30.145 -1.629 429 HB VAL 64 HB VAL 64 -8.941 -29.885 -4.063 430 HG11 VAL 64 HG11 VAL 64 -8.490 -27.252 -2.670 431 HG12 VAL 64 HG12 VAL 64 -9.380 -27.534 -4.167 432 HG13 VAL 64 HG13 VAL 64 -10.012 -28.142 -2.637 433 HG21 VAL 64 HG21 VAL 64 -6.449 -28.291 -3.480 434 HG22 VAL 64 HG22 VAL 64 -6.461 -29.928 -4.137 435 HG23 VAL 64 HG23 VAL 64 -7.165 -28.602 -5.062 436 H GLY 65 H GLY 65 -5.745 -30.636 -1.708 437 HA2 GLY 65 HA2 GLY 65 -6.196 -33.485 -2.237 438 HA3 GLY 65 HA3 GLY 65 -5.024 -32.635 -3.234 439 H GLU 66 H GLU 66 -3.773 -34.519 -2.183 440 HA GLU 66 HA GLU 66 -2.620 -33.574 0.360 441 HB2 GLU 66 HB2 GLU 66 -1.831 -36.089 0.420 442 HB3 GLU 66 HB3 GLU 66 -3.437 -35.632 0.968 443 HG2 GLU 66 HG2 GLU 66 -3.533 -37.617 -0.408 444 HG3 GLU 66 HG3 GLU 66 -4.365 -36.277 -1.193 445 HA PRO 67 HA PRO 67 -0.853 -34.832 1.545 446 HB2 PRO 67 HB2 PRO 67 1.252 -33.444 2.551 447 HB3 PRO 67 HB3 PRO 67 1.405 -35.077 1.891 448 HG2 PRO 67 HG2 PRO 67 2.021 -32.447 0.599 449 HG3 PRO 67 HG3 PRO 67 2.950 -33.957 0.562 450 HD2 PRO 67 HD2 PRO 67 1.357 -33.176 -1.483 451 HD3 PRO 67 HD3 PRO 67 1.618 -34.884 -1.074 452 H ASN 68 H ASN 68 0.263 -31.612 0.480 453 HA ASN 68 HA ASN 68 -1.952 -30.433 2.015 454 HB2 ASN 68 HB2 ASN 68 0.424 -30.224 3.057 455 HB3 ASN 68 HB3 ASN 68 0.697 -29.032 1.789 456 HD21 ASN 68 HD21 ASN 68 0.281 -27.025 2.324 457 HD22 ASN 68 HD22 ASN 68 -0.826 -26.501 3.543 458 H LYS 69 H LYS 69 -2.214 -30.994 -0.633 459 HA LYS 69 HA LYS 69 -1.421 -28.866 -2.344 460 HB2 LYS 69 HB2 LYS 69 -2.063 -31.203 -3.061 461 HB3 LYS 69 HB3 LYS 69 -3.738 -30.755 -2.763 462 HG2 LYS 69 HG2 LYS 69 -3.748 -29.194 -4.512 463 HG3 LYS 69 HG3 LYS 69 -1.986 -29.186 -4.625 464 HD2 LYS 69 HD2 LYS 69 -1.917 -31.219 -5.725 465 HD3 LYS 69 HD3 LYS 69 -3.490 -31.724 -5.104 466 HE2 LYS 69 HE2 LYS 69 -4.651 -30.457 -6.656 467 HE3 LYS 69 HE3 LYS 69 -3.292 -29.369 -6.934 468 HZ1 LYS 69 HZ1 LYS 69 -3.995 -31.723 -8.332 469 HZ2 LYS 69 HZ2 LYS 69 -2.441 -31.891 -7.686 470 HZ3 LYS 69 HZ3 LYS 69 -2.799 -30.586 -8.700 471 H LEU 70 H LEU 70 -2.045 -26.986 -1.167 472 HA LEU 70 HA LEU 70 -4.861 -26.509 -0.692 473 HB2 LEU 70 HB2 LEU 70 -2.315 -25.181 -0.022 474 HB3 LEU 70 HB3 LEU 70 -3.699 -24.115 -0.248 475 HG LEU 70 HG LEU 70 -4.903 -25.240 1.523 476 HD11 LEU 70 HD11 LEU 70 -3.834 -27.001 2.856 477 HD12 LEU 70 HD12 LEU 70 -2.480 -27.024 1.726 478 HD13 LEU 70 HD13 LEU 70 -4.090 -27.500 1.184 479 HD21 LEU 70 HD21 LEU 70 -3.885 -23.759 2.827 480 HD22 LEU 70 HD22 LEU 70 -2.404 -23.860 1.875 481 HD23 LEU 70 HD23 LEU 70 -2.679 -24.991 3.201 482 H ARG 71 H ARG 71 -6.135 -24.984 -1.733 483 HA ARG 71 HA ARG 71 -5.029 -23.616 -4.065 484 HB2 ARG 71 HB2 ARG 71 -7.378 -25.515 -4.164 485 HB3 ARG 71 HB3 ARG 71 -6.975 -24.381 -5.446 486 HG2 ARG 71 HG2 ARG 71 -4.630 -25.573 -5.298 487 HG3 ARG 71 HG3 ARG 71 -5.603 -26.880 -4.620 488 HD2 ARG 71 HD2 ARG 71 -5.901 -25.568 -7.314 489 HD3 ARG 71 HD3 ARG 71 -5.441 -27.235 -6.974 490 HE ARG 71 HE ARG 71 -7.966 -26.767 -5.862 491 HH11 ARG 71 HH11 ARG 71 -6.440 -27.002 -8.981 492 HH12 ARG 71 HH12 ARG 71 -7.869 -27.565 -9.784 493 HH21 ARG 71 HH21 ARG 71 -9.855 -27.506 -6.906 494 HH22 ARG 71 HH22 ARG 71 -9.811 -27.850 -8.602 495 H CYS 72 H CYS 72 -6.361 -21.887 -4.850 496 HA CYS 72 HA CYS 72 -7.687 -20.482 -2.754 497 HB2 CYS 72 HB2 CYS 72 -6.861 -19.942 -5.524 498 HB3 CYS 72 HB3 CYS 72 -8.325 -19.097 -5.028 499 H GLN 73 H GLN 73 -9.830 -20.115 -2.407 500 HA GLN 73 HA GLN 73 -11.803 -21.066 -4.314 501 HB2 GLN 73 HB2 GLN 73 -11.150 -22.999 -2.782 502 HB3 GLN 73 HB3 GLN 73 -11.905 -22.089 -1.481 503 HG2 GLN 73 HG2 GLN 73 -13.349 -23.833 -2.514 504 HG3 GLN 73 HG3 GLN 73 -14.035 -22.209 -2.518 505 HE21 GLN 73 HE21 GLN 73 -11.625 -23.674 -4.648 506 HE22 GLN 73 HE22 GLN 73 -12.531 -23.474 -6.105 507 H GLU 74 H GLU 74 -13.491 -19.728 -4.369 508 HA GLU 74 HA GLU 74 -13.625 -17.360 -2.958 509 HB2 GLU 74 HB2 GLU 74 -16.088 -17.371 -3.642 510 HB3 GLU 74 HB3 GLU 74 -14.899 -17.491 -4.930 511 HG2 GLU 74 HG2 GLU 74 -15.296 -19.813 -5.201 512 HG3 GLU 74 HG3 GLU 74 -16.260 -19.882 -3.726 513 H GLU 75 H GLU 75 -13.923 -16.985 -0.873 514 HA GLU 75 HA GLU 75 -14.905 -18.948 0.930 515 HB2 GLU 75 HB2 GLU 75 -13.301 -16.893 1.305 516 HB3 GLU 75 HB3 GLU 75 -14.801 -16.050 1.660 517 HG2 GLU 75 HG2 GLU 75 -15.246 -18.023 3.272 518 HG3 GLU 75 HG3 GLU 75 -13.512 -18.305 3.129 519 H SER 76 H SER 76 -16.784 -18.830 2.267 520 HA SER 76 HA SER 76 -19.071 -17.672 0.851 521 HB2 SER 76 HB2 SER 76 -19.087 -20.105 1.420 522 HB3 SER 76 HB3 SER 76 -19.065 -19.668 3.128 523 HG SER 76 HG SER 76 -21.170 -19.953 1.643 Start of MODEL 10 1 H1 SER 1 H SER 1 1.363 0.243 -1.332 2 HA SER 1 HA SER 1 1.856 -0.283 -4.118 3 HB2 SER 1 HB2 SER 1 3.144 2.026 -2.721 4 HB3 SER 1 HB3 SER 1 4.104 1.094 -3.870 5 HG SER 1 HG SER 1 2.429 3.003 -4.435 6 H VAL 2 H VAL 2 2.791 -2.206 -4.114 7 HA VAL 2 HA VAL 2 4.010 -3.317 -1.788 8 HB VAL 2 HB VAL 2 2.781 -4.661 -3.494 9 HG11 VAL 2 HG11 VAL 2 3.459 -4.907 -5.632 10 HG12 VAL 2 HG12 VAL 2 4.258 -3.362 -5.337 11 HG13 VAL 2 HG13 VAL 2 5.170 -4.866 -5.207 12 HG21 VAL 2 HG21 VAL 2 5.006 -5.331 -1.980 13 HG22 VAL 2 HG22 VAL 2 3.853 -6.450 -2.706 14 HG23 VAL 2 HG23 VAL 2 5.333 -6.030 -3.566 15 H THR 3 H THR 3 6.153 -3.811 -1.392 16 HA THR 3 HA THR 3 8.136 -2.639 -3.225 17 HB THR 3 HB THR 3 8.396 -2.518 -0.222 18 HG1 THR 3 HG1 THR 3 6.928 -0.991 -0.395 19 HG21 THR 3 HG21 THR 3 10.523 -2.184 -0.969 20 HG22 THR 3 HG22 THR 3 9.925 -0.535 -1.148 21 HG23 THR 3 HG23 THR 3 9.995 -1.605 -2.548 22 H CYS 4 H CYS 4 9.585 -4.081 -3.869 23 HA CYS 4 HA CYS 4 10.448 -6.182 -2.019 24 HB2 CYS 4 HB2 CYS 4 9.709 -6.766 -4.890 25 HB3 CYS 4 HB3 CYS 4 10.192 -7.926 -3.656 26 H GLY 5 H GLY 5 12.592 -6.469 -2.023 27 HA2 GLY 5 HA2 GLY 5 14.803 -6.246 -2.595 28 HA3 GLY 5 HA3 GLY 5 14.268 -6.343 -4.266 29 H GLY 6 H GLY 6 13.006 -3.817 -2.267 30 HA2 GLY 6 HA2 GLY 6 13.690 -1.585 -2.038 31 HA3 GLY 6 HA3 GLY 6 15.016 -1.900 -3.147 32 H LYS 7 H LYS 7 12.694 -3.236 -4.814 33 HA LYS 7 HA LYS 7 12.140 -0.793 -6.318 34 HB2 LYS 7 HB2 LYS 7 12.709 -3.471 -7.031 35 HB3 LYS 7 HB3 LYS 7 11.057 -3.154 -7.543 36 HG2 LYS 7 HG2 LYS 7 12.222 -0.928 -8.458 37 HG3 LYS 7 HG3 LYS 7 13.600 -2.029 -8.531 38 HD2 LYS 7 HD2 LYS 7 11.140 -3.210 -9.555 39 HD3 LYS 7 HD3 LYS 7 11.634 -1.767 -10.443 40 HE2 LYS 7 HE2 LYS 7 13.895 -2.759 -10.689 41 HE3 LYS 7 HE3 LYS 7 13.298 -4.228 -9.916 42 HZ1 LYS 7 HZ1 LYS 7 13.319 -4.287 -12.388 43 HZ2 LYS 7 HZ2 LYS 7 12.128 -3.086 -12.391 44 HZ3 LYS 7 HZ3 LYS 7 11.802 -4.598 -11.705 45 H GLN 8 H GLN 8 10.126 0.018 -6.670 46 HA GLN 8 HA GLN 8 7.990 -1.068 -4.997 47 HB2 GLN 8 HB2 GLN 8 8.581 1.599 -6.195 48 HB3 GLN 8 HB3 GLN 8 6.901 1.187 -5.875 49 HG2 GLN 8 HG2 GLN 8 7.174 1.215 -3.616 50 HG3 GLN 8 HG3 GLN 8 8.874 0.758 -3.703 51 HE21 GLN 8 HE21 GLN 8 9.635 2.367 -2.404 52 HE22 GLN 8 HE22 GLN 8 9.605 4.039 -2.838 53 H CYS 9 H CYS 9 6.001 -1.683 -5.776 54 HA CYS 9 HA CYS 9 5.571 -1.608 -8.673 55 HB2 CYS 9 HB2 CYS 9 5.898 -4.031 -6.985 56 HB3 CYS 9 HB3 CYS 9 4.613 -4.070 -8.189 57 H LYS 10 H LYS 10 3.277 -2.557 -9.137 58 HA LYS 10 HA LYS 10 1.427 -0.941 -7.685 59 HB2 LYS 10 HB2 LYS 10 1.354 -2.700 -10.058 60 HB3 LYS 10 HB3 LYS 10 -0.166 -2.545 -9.186 61 HG2 LYS 10 HG2 LYS 10 -0.023 -0.103 -9.401 62 HG3 LYS 10 HG3 LYS 10 1.473 -0.287 -10.321 63 HD2 LYS 10 HD2 LYS 10 -1.101 -1.600 -11.152 64 HD3 LYS 10 HD3 LYS 10 -0.669 0.033 -11.658 65 HE2 LYS 10 HE2 LYS 10 1.259 -2.218 -12.051 66 HE3 LYS 10 HE3 LYS 10 -0.079 -1.998 -13.177 67 HZ1 LYS 10 HZ1 LYS 10 1.362 -0.641 -14.200 68 HZ2 LYS 10 HZ2 LYS 10 2.317 -0.414 -12.824 69 HZ3 LYS 10 HZ3 LYS 10 0.899 0.485 -13.026 70 HA PRO 11 HA PRO 11 -0.133 -3.699 -4.652 71 HB2 PRO 11 HB2 PRO 11 -2.799 -3.187 -4.704 72 HB3 PRO 11 HB3 PRO 11 -1.615 -2.051 -4.047 73 HG2 PRO 11 HG2 PRO 11 -2.934 -2.068 -6.734 74 HG3 PRO 11 HG3 PRO 11 -2.627 -0.701 -5.648 75 HD2 PRO 11 HD2 PRO 11 -1.065 -1.237 -7.794 76 HD3 PRO 11 HD3 PRO 11 -0.425 -0.512 -6.304 77 H ASN 12 H ASN 12 -1.964 -5.361 -4.264 78 HA ASN 12 HA ASN 12 -2.928 -7.347 -4.812 79 HB2 ASN 12 HB2 ASN 12 -3.156 -6.270 -7.626 80 HB3 ASN 12 HB3 ASN 12 -4.149 -7.512 -6.868 81 HD21 ASN 12 HD21 ASN 12 -3.532 -4.127 -7.173 82 HD22 ASN 12 HD22 ASN 12 -4.946 -3.581 -6.345 83 H SER 13 H SER 13 -0.024 -6.880 -5.143 84 HA SER 13 HA SER 13 0.534 -9.279 -6.721 85 HB2 SER 13 HB2 SER 13 1.819 -6.581 -7.133 86 HB3 SER 13 HB3 SER 13 2.612 -8.077 -7.624 87 HG SER 13 HG SER 13 0.819 -6.714 -8.967 88 H CYS 14 H CYS 14 1.553 -10.643 -5.429 89 HA CYS 14 HA CYS 14 2.920 -9.710 -3.059 90 HB2 CYS 14 HB2 CYS 14 3.005 -11.982 -2.386 91 HB3 CYS 14 HB3 CYS 14 1.444 -11.779 -3.176 92 H CYS 15 H CYS 15 5.077 -10.738 -2.505 93 HA CYS 15 HA CYS 15 6.896 -10.235 -4.726 94 HB2 CYS 15 HB2 CYS 15 7.618 -10.802 -1.849 95 HB3 CYS 15 HB3 CYS 15 8.624 -10.046 -3.079 96 H VAL 16 H VAL 16 8.027 -11.761 -5.757 97 HA VAL 16 HA VAL 16 8.037 -14.484 -4.628 98 HB VAL 16 HB VAL 16 8.074 -15.275 -7.042 99 HG11 VAL 16 HG11 VAL 16 5.958 -15.807 -6.631 100 HG12 VAL 16 HG12 VAL 16 5.947 -14.623 -5.322 101 HG13 VAL 16 HG13 VAL 16 5.443 -14.150 -6.944 102 HG21 VAL 16 HG21 VAL 16 8.604 -12.999 -7.956 103 HG22 VAL 16 HG22 VAL 16 7.271 -13.829 -8.757 104 HG23 VAL 16 HG23 VAL 16 6.939 -12.541 -7.599 105 H GLN 17 H GLN 17 9.886 -15.727 -4.949 106 HA GLN 17 HA GLN 17 12.227 -14.249 -5.956 107 HB2 GLN 17 HB2 GLN 17 11.787 -15.745 -3.461 108 HB3 GLN 17 HB3 GLN 17 13.299 -16.118 -4.280 109 HG2 GLN 17 HG2 GLN 17 12.556 -13.266 -3.884 110 HG3 GLN 17 HG3 GLN 17 13.144 -14.195 -2.506 111 HE21 GLN 17 HE21 GLN 17 13.926 -13.288 -5.824 112 HE22 GLN 17 HE22 GLN 17 15.640 -13.310 -5.617 113 H ASN 18 H ASN 18 13.543 -15.241 -7.393 114 HA ASN 18 HA ASN 18 13.038 -18.076 -7.991 115 HB2 ASN 18 HB2 ASN 18 13.609 -16.057 -10.153 116 HB3 ASN 18 HB3 ASN 18 12.977 -17.692 -10.322 117 HD21 ASN 18 HD21 ASN 18 10.841 -17.997 -10.334 118 HD22 ASN 18 HD22 ASN 18 9.664 -16.763 -10.055 119 H SER 19 H SER 19 15.138 -16.718 -6.444 120 HA SER 19 HA SER 19 17.533 -16.475 -7.863 121 HB2 SER 19 HB2 SER 19 18.647 -16.792 -5.684 122 HB3 SER 19 HB3 SER 19 17.282 -15.683 -5.558 123 HG SER 19 HG SER 19 16.875 -17.011 -3.930 124 H HIS 20 H HIS 20 19.398 -17.921 -7.835 125 HA HIS 20 HA HIS 20 18.628 -20.765 -7.858 126 HB2 HIS 20 HB2 HIS 20 19.035 -19.549 -10.137 127 HB3 HIS 20 HB3 HIS 20 20.736 -19.695 -9.704 128 HD1 HIS 20 HD1 HIS 20 21.009 -21.293 -11.773 129 HD2 HIS 20 HD2 HIS 20 18.523 -22.718 -8.765 130 HE1 HIS 20 HE1 HIS 20 20.714 -23.745 -12.250 131 H GLY 21 H GLY 21 19.927 -19.082 -5.786 132 HA2 GLY 21 HA2 GLY 21 21.542 -19.448 -4.186 133 HA3 GLY 21 HA3 GLY 21 21.957 -20.932 -5.029 134 H LYS 22 H LYS 22 22.003 -17.749 -6.504 135 HA LYS 22 HA LYS 22 24.849 -18.097 -7.054 136 HB2 LYS 22 HB2 LYS 22 24.585 -16.384 -8.721 137 HB3 LYS 22 HB3 LYS 22 23.259 -17.527 -8.891 138 HG2 LYS 22 HG2 LYS 22 21.943 -15.874 -7.411 139 HG3 LYS 22 HG3 LYS 22 23.211 -14.726 -7.847 140 HD2 LYS 22 HD2 LYS 22 21.636 -14.343 -9.493 141 HD3 LYS 22 HD3 LYS 22 22.704 -15.505 -10.280 142 HE2 LYS 22 HE2 LYS 22 21.174 -17.318 -9.653 143 HE3 LYS 22 HE3 LYS 22 20.105 -16.145 -8.887 144 HZ1 LYS 22 HZ1 LYS 22 19.144 -15.808 -10.835 145 HZ2 LYS 22 HZ2 LYS 22 20.180 -16.923 -11.573 146 HZ3 LYS 22 HZ3 LYS 22 20.611 -15.289 -11.500 147 H GLY 23 H GLY 23 22.710 -16.199 -5.109 148 HA2 GLY 23 HA2 GLY 23 23.626 -15.109 -3.152 149 HA3 GLY 23 HA3 GLY 23 25.042 -14.698 -4.107 150 H LYS 24 H LYS 24 22.090 -14.334 -5.759 151 HA LYS 24 HA LYS 24 22.034 -11.455 -5.144 152 HB2 LYS 24 HB2 LYS 24 22.042 -12.833 -7.810 153 HB3 LYS 24 HB3 LYS 24 21.288 -11.255 -7.629 154 HG2 LYS 24 HG2 LYS 24 23.418 -10.353 -6.796 155 HG3 LYS 24 HG3 LYS 24 24.165 -11.932 -7.051 156 HD2 LYS 24 HD2 LYS 24 24.030 -11.763 -9.363 157 HD3 LYS 24 HD3 LYS 24 22.753 -10.547 -9.299 158 HE2 LYS 24 HE2 LYS 24 24.608 -9.121 -8.111 159 HE3 LYS 24 HE3 LYS 24 25.698 -10.240 -8.929 160 HZ1 LYS 24 HZ1 LYS 24 23.682 -9.263 -10.689 161 HZ2 LYS 24 HZ2 LYS 24 25.364 -9.214 -10.854 162 HZ3 LYS 24 HZ3 LYS 24 24.562 -7.991 -10.004 163 H ASP 25 H ASP 25 20.245 -11.488 -3.849 164 HA ASP 25 HA ASP 25 17.865 -12.927 -4.589 165 HB2 ASP 25 HB2 ASP 25 18.359 -10.906 -2.392 166 HB3 ASP 25 HB3 ASP 25 16.886 -11.854 -2.578 167 H SER 26 H SER 26 17.062 -12.139 -6.493 168 HA SER 26 HA SER 26 16.158 -9.334 -6.451 169 HB2 SER 26 HB2 SER 26 16.416 -9.305 -8.909 170 HB3 SER 26 HB3 SER 26 17.950 -9.611 -8.094 171 HG SER 26 HG SER 26 18.008 -11.560 -8.915 172 HA PRO 27 HA PRO 27 12.402 -11.967 -6.688 173 HB2 PRO 27 HB2 PRO 27 10.867 -10.265 -5.233 174 HB3 PRO 27 HB3 PRO 27 11.924 -11.473 -4.495 175 HG2 PRO 27 HG2 PRO 27 12.395 -8.547 -4.915 176 HG3 PRO 27 HG3 PRO 27 12.751 -9.543 -3.493 177 HD2 PRO 27 HD2 PRO 27 14.650 -8.838 -5.289 178 HD3 PRO 27 HD3 PRO 27 14.695 -10.378 -4.409 179 H ARG 28 H ARG 28 10.254 -11.455 -7.559 180 HA ARG 28 HA ARG 28 10.212 -9.008 -9.193 181 HB2 ARG 28 HB2 ARG 28 10.738 -11.393 -10.309 182 HB3 ARG 28 HB3 ARG 28 8.981 -11.457 -10.331 183 HG2 ARG 28 HG2 ARG 28 9.684 -10.587 -12.418 184 HG3 ARG 28 HG3 ARG 28 9.003 -9.244 -11.499 185 HD2 ARG 28 HD2 ARG 28 11.309 -8.611 -10.825 186 HD3 ARG 28 HD3 ARG 28 11.925 -9.881 -11.882 187 HE ARG 28 HE ARG 28 10.271 -8.272 -13.423 188 HH11 ARG 28 HH11 ARG 28 13.239 -7.970 -11.628 189 HH12 ARG 28 HH12 ARG 28 13.880 -6.724 -12.647 190 HH21 ARG 28 HH21 ARG 28 11.105 -6.631 -14.771 191 HH22 ARG 28 HH22 ARG 28 12.666 -5.963 -14.435 192 H CYS 29 H CYS 29 8.013 -8.473 -9.999 193 HA CYS 29 HA CYS 29 6.082 -8.877 -7.857 194 HB2 CYS 29 HB2 CYS 29 5.789 -7.113 -10.291 195 HB3 CYS 29 HB3 CYS 29 4.887 -7.020 -8.782 196 H HIS 30 H HIS 30 4.545 -10.359 -7.976 197 HA HIS 30 HA HIS 30 3.639 -11.240 -10.638 198 HB2 HIS 30 HB2 HIS 30 4.813 -12.778 -8.552 199 HB3 HIS 30 HB3 HIS 30 3.123 -13.258 -8.683 200 HD1 HIS 30 HD1 HIS 30 5.681 -12.418 -11.379 201 HD2 HIS 30 HD2 HIS 30 3.120 -15.476 -10.220 202 HE1 HIS 30 HE1 HIS 30 5.900 -14.186 -13.153 203 HA PRO 31 HA PRO 31 -0.436 -10.119 -9.436 204 HB2 PRO 31 HB2 PRO 31 -1.873 -11.839 -10.969 205 HB3 PRO 31 HB3 PRO 31 -1.024 -10.439 -11.634 206 HG2 PRO 31 HG2 PRO 31 -0.185 -13.312 -11.577 207 HG3 PRO 31 HG3 PRO 31 -0.060 -12.137 -12.898 208 HD2 PRO 31 HD2 PRO 31 2.043 -12.784 -11.322 209 HD3 PRO 31 HD3 PRO 31 1.839 -11.166 -12.024 210 H LEU 32 H LEU 32 -2.234 -10.808 -8.220 211 HA LEU 32 HA LEU 32 -1.712 -12.816 -6.306 212 HB2 LEU 32 HB2 LEU 32 -4.099 -11.151 -6.995 213 HB3 LEU 32 HB3 LEU 32 -4.232 -12.448 -5.809 214 HG LEU 32 HG LEU 32 -2.257 -10.186 -5.567 215 HD11 LEU 32 HD11 LEU 32 -4.099 -8.917 -5.287 216 HD12 LEU 32 HD12 LEU 32 -4.097 -9.651 -3.684 217 HD13 LEU 32 HD13 LEU 32 -5.138 -10.303 -4.949 218 HD21 LEU 32 HD21 LEU 32 -2.012 -10.904 -3.318 219 HD22 LEU 32 HD22 LEU 32 -1.861 -12.340 -4.331 220 HD23 LEU 32 HD23 LEU 32 -3.363 -12.028 -3.458 221 H GLY 33 H GLY 33 -3.017 -14.721 -5.855 222 HA2 GLY 33 HA2 GLY 33 -3.361 -16.323 -8.208 223 HA3 GLY 33 HA3 GLY 33 -3.651 -16.829 -6.550 224 H LYS 34 H LYS 34 -5.284 -17.521 -8.750 225 HA LYS 34 HA LYS 34 -7.728 -15.969 -8.216 226 HB2 LYS 34 HB2 LYS 34 -8.560 -16.688 -10.352 227 HB3 LYS 34 HB3 LYS 34 -6.940 -16.045 -10.584 228 HG2 LYS 34 HG2 LYS 34 -6.020 -18.238 -10.788 229 HG3 LYS 34 HG3 LYS 34 -7.552 -18.979 -10.317 230 HD2 LYS 34 HD2 LYS 34 -8.462 -18.710 -12.370 231 HD3 LYS 34 HD3 LYS 34 -7.664 -17.159 -12.636 232 HE2 LYS 34 HE2 LYS 34 -6.166 -18.166 -13.927 233 HE3 LYS 34 HE3 LYS 34 -5.650 -19.142 -12.552 234 HZ1 LYS 34 HZ1 LYS 34 -7.472 -20.703 -13.116 235 HZ2 LYS 34 HZ2 LYS 34 -6.280 -20.595 -14.311 236 HZ3 LYS 34 HZ3 LYS 34 -7.765 -19.811 -14.523 237 H LEU 35 H LEU 35 -9.680 -17.642 -8.960 238 HA LEU 35 HA LEU 35 -9.853 -19.441 -6.763 239 HB2 LEU 35 HB2 LEU 35 -11.849 -18.399 -7.503 240 HB3 LEU 35 HB3 LEU 35 -11.601 -18.945 -9.159 241 HG LEU 35 HG LEU 35 -12.072 -21.244 -8.480 242 HD11 LEU 35 HD11 LEU 35 -13.252 -20.949 -5.965 243 HD12 LEU 35 HD12 LEU 35 -11.687 -20.145 -5.851 244 HD13 LEU 35 HD13 LEU 35 -11.776 -21.830 -6.361 245 HD21 LEU 35 HD21 LEU 35 -14.396 -21.022 -8.294 246 HD22 LEU 35 HD22 LEU 35 -13.876 -19.553 -9.121 247 HD23 LEU 35 HD23 LEU 35 -14.269 -19.506 -7.402 248 H ASN 36 H ASN 36 -9.868 -21.678 -6.726 249 HA ASN 36 HA ASN 36 -9.168 -23.772 -7.275 250 HB2 ASN 36 HB2 ASN 36 -10.078 -22.857 -10.010 251 HB3 ASN 36 HB3 ASN 36 -9.648 -24.518 -9.617 252 HD21 ASN 36 HD21 ASN 36 -12.194 -23.212 -10.465 253 HD22 ASN 36 HD22 ASN 36 -13.356 -23.710 -9.288 254 H ASN 37 H ASN 37 -7.166 -21.805 -7.128 255 HA ASN 37 HA ASN 37 -5.234 -22.860 -9.084 256 HB2 ASN 37 HB2 ASN 37 -6.016 -20.119 -8.620 257 HB3 ASN 37 HB3 ASN 37 -4.303 -20.334 -8.274 258 HD21 ASN 37 HD21 ASN 37 -6.669 -21.399 -10.697 259 HD22 ASN 37 HD22 ASN 37 -5.654 -21.105 -12.063 260 HA PRO 38 HA PRO 38 -2.611 -23.910 -5.727 261 HB2 PRO 38 HB2 PRO 38 -0.148 -23.360 -6.727 262 HB3 PRO 38 HB3 PRO 38 -1.123 -24.729 -7.275 263 HG2 PRO 38 HG2 PRO 38 -0.755 -22.038 -8.537 264 HG3 PRO 38 HG3 PRO 38 -0.778 -23.639 -9.300 265 HD2 PRO 38 HD2 PRO 38 -2.918 -21.979 -9.330 266 HD3 PRO 38 HD3 PRO 38 -3.081 -23.747 -9.295 267 H CYS 39 H CYS 39 -2.444 -22.815 -3.882 268 HA CYS 39 HA CYS 39 -0.944 -20.305 -3.842 269 HB2 CYS 39 HB2 CYS 39 -2.608 -19.120 -2.597 270 HB3 CYS 39 HB3 CYS 39 -3.403 -19.787 -4.020 271 H GLU 40 H GLU 40 -0.283 -19.671 -1.657 272 HA GLU 40 HA GLU 40 -0.079 -22.001 0.137 273 HB2 GLU 40 HB2 GLU 40 2.042 -21.203 -1.071 274 HB3 GLU 40 HB3 GLU 40 1.966 -19.796 -0.020 275 HG2 GLU 40 HG2 GLU 40 3.362 -21.123 1.187 276 HG3 GLU 40 HG3 GLU 40 1.811 -21.613 1.868 277 H VAL 41 H VAL 41 -0.369 -21.691 2.316 278 HA VAL 41 HA VAL 41 -2.115 -19.751 3.204 279 HB VAL 41 HB VAL 41 -0.055 -21.133 4.926 280 HG11 VAL 41 HG11 VAL 41 -1.997 -20.951 6.594 281 HG12 VAL 41 HG12 VAL 41 -1.069 -19.492 6.243 282 HG13 VAL 41 HG13 VAL 41 -2.647 -19.737 5.494 283 HG21 VAL 41 HG21 VAL 41 -1.057 -23.063 4.479 284 HG22 VAL 41 HG22 VAL 41 -2.585 -22.401 5.060 285 HG23 VAL 41 HG23 VAL 41 -2.150 -22.251 3.358 286 H GLU 42 H GLU 42 1.374 -19.861 3.961 287 HA GLU 42 HA GLU 42 1.425 -16.933 3.872 288 HB2 GLU 42 HB2 GLU 42 2.274 -18.659 6.187 289 HB3 GLU 42 HB3 GLU 42 2.942 -17.052 5.945 290 HG2 GLU 42 HG2 GLU 42 0.545 -16.222 5.914 291 HG3 GLU 42 HG3 GLU 42 0.099 -17.815 6.521 292 HA PRO 43 HA PRO 43 5.240 -17.411 1.759 293 HB2 PRO 43 HB2 PRO 43 6.617 -15.228 2.602 294 HB3 PRO 43 HB3 PRO 43 5.249 -15.129 1.486 295 HG2 PRO 43 HG2 PRO 43 5.323 -14.644 4.439 296 HG3 PRO 43 HG3 PRO 43 4.497 -13.716 3.174 297 HD2 PRO 43 HD2 PRO 43 3.204 -15.493 4.754 298 HD3 PRO 43 HD3 PRO 43 2.728 -15.189 3.072 299 H ASN 44 H ASN 44 7.772 -16.916 2.334 300 HA ASN 44 HA ASN 44 8.440 -18.938 4.246 301 HB2 ASN 44 HB2 ASN 44 10.490 -17.096 3.076 302 HB3 ASN 44 HB3 ASN 44 10.600 -18.823 3.406 303 HD21 ASN 44 HD21 ASN 44 11.089 -17.148 0.973 304 HD22 ASN 44 HD22 ASN 44 10.166 -17.912 -0.273 305 H GLU 45 H GLU 45 10.721 -18.091 5.465 306 HA GLU 45 HA GLU 45 9.721 -16.645 7.683 307 HB2 GLU 45 HB2 GLU 45 11.996 -16.766 8.555 308 HB3 GLU 45 HB3 GLU 45 11.506 -18.317 7.888 309 HG2 GLU 45 HG2 GLU 45 12.701 -17.540 5.751 310 HG3 GLU 45 HG3 GLU 45 13.452 -16.330 6.789 311 H ASN 46 H ASN 46 10.987 -15.639 4.699 312 HA ASN 46 HA ASN 46 11.808 -13.025 5.722 313 HB2 ASN 46 HB2 ASN 46 12.094 -14.366 3.035 314 HB3 ASN 46 HB3 ASN 46 12.460 -12.661 3.278 315 HD21 ASN 46 HD21 ASN 46 13.458 -15.912 3.833 316 HD22 ASN 46 HD22 ASN 46 15.010 -15.548 4.500 317 H GLY 47 H GLY 47 9.271 -14.583 3.920 318 HA2 GLY 47 HA2 GLY 47 7.080 -13.596 3.862 319 HA3 GLY 47 HA3 GLY 47 7.839 -12.012 3.839 320 H ILE 48 H ILE 48 8.883 -14.691 1.835 321 HA ILE 48 HA ILE 48 7.763 -13.309 -0.514 322 HB ILE 48 HB ILE 48 10.412 -14.749 -0.485 323 HG12 ILE 48 HG12 ILE 48 9.888 -11.771 -0.385 324 HG13 ILE 48 HG13 ILE 48 10.488 -12.742 0.955 325 HG21 ILE 48 HG21 ILE 48 10.723 -13.535 -2.632 326 HG22 ILE 48 HG22 ILE 48 9.400 -14.701 -2.660 327 HG23 ILE 48 HG23 ILE 48 9.055 -12.978 -2.510 328 HD11 ILE 48 HD11 ILE 48 12.418 -11.816 0.135 329 HD12 ILE 48 HD12 ILE 48 12.385 -13.363 -0.712 330 HD13 ILE 48 HD13 ILE 48 11.873 -11.893 -1.540 331 H TYR 49 H TYR 49 7.164 -14.616 -2.279 332 HA TYR 49 HA TYR 49 6.599 -17.396 -1.526 333 HB2 TYR 49 HB2 TYR 49 5.319 -15.495 -3.477 334 HB3 TYR 49 HB3 TYR 49 5.018 -17.227 -3.555 335 HD1 TYR 49 HD1 TYR 49 4.891 -14.361 -1.170 336 HD2 TYR 49 HD2 TYR 49 3.298 -18.144 -2.293 337 HE1 TYR 49 HE1 TYR 49 3.144 -14.129 0.545 338 HE2 TYR 49 HE2 TYR 49 1.546 -17.920 -0.580 339 HH TYR 49 HH TYR 49 0.876 -16.744 1.227 340 H SER 50 H SER 50 6.267 -18.697 -3.795 341 HA SER 50 HA SER 50 8.957 -18.772 -4.916 342 HB2 SER 50 HB2 SER 50 6.759 -20.706 -4.564 343 HB3 SER 50 HB3 SER 50 7.659 -20.872 -6.071 344 HG SER 50 HG SER 50 9.586 -20.823 -4.682 345 H GLN 51 H GLN 51 5.863 -19.531 -6.474 346 HA GLN 51 HA GLN 51 6.594 -17.682 -8.648 347 HB2 GLN 51 HB2 GLN 51 5.465 -20.468 -8.789 348 HB3 GLN 51 HB3 GLN 51 5.295 -19.337 -10.125 349 HG2 GLN 51 HG2 GLN 51 7.172 -20.625 -10.646 350 HG3 GLN 51 HG3 GLN 51 7.816 -19.096 -10.053 351 HE21 GLN 51 HE21 GLN 51 6.750 -22.205 -8.704 352 HE22 GLN 51 HE22 GLN 51 8.105 -22.405 -7.650 353 H HIS 52 H HIS 52 3.805 -19.542 -7.423 354 HA HIS 52 HA HIS 52 1.924 -17.631 -8.425 355 HB2 HIS 52 HB2 HIS 52 1.690 -20.061 -6.663 356 HB3 HIS 52 HB3 HIS 52 0.308 -19.016 -6.979 357 HD1 HIS 52 HD1 HIS 52 -0.642 -19.009 -9.401 358 HD2 HIS 52 HD2 HIS 52 2.447 -21.714 -8.769 359 HE1 HIS 52 HE1 HIS 52 -0.678 -20.549 -11.389 360 H CYS 53 H CYS 53 0.211 -16.734 -6.886 361 HA CYS 53 HA CYS 53 1.545 -15.638 -4.496 362 HB2 CYS 53 HB2 CYS 53 -0.226 -14.327 -6.538 363 HB3 CYS 53 HB3 CYS 53 -0.121 -13.679 -4.905 364 HA PRO 54 HA PRO 54 -1.763 -17.072 -1.996 365 HB2 PRO 54 HB2 PRO 54 -2.024 -15.058 -0.193 366 HB3 PRO 54 HB3 PRO 54 -0.654 -16.176 -0.195 367 HG2 PRO 54 HG2 PRO 54 -0.836 -13.398 -1.299 368 HG3 PRO 54 HG3 PRO 54 0.474 -14.149 -0.369 369 HD2 PRO 54 HD2 PRO 54 0.571 -13.875 -3.060 370 HD3 PRO 54 HD3 PRO 54 1.329 -15.237 -2.211 371 H CYS 55 H CYS 55 -3.950 -16.540 -1.165 372 HA CYS 55 HA CYS 55 -5.574 -15.452 -3.197 373 HB2 CYS 55 HB2 CYS 55 -6.208 -16.148 -0.324 374 HB3 CYS 55 HB3 CYS 55 -7.419 -15.710 -1.524 375 H GLY 56 H GLY 56 -6.139 -13.420 -3.616 376 HA2 GLY 56 HA2 GLY 56 -6.320 -11.478 -1.444 377 HA3 GLY 56 HA3 GLY 56 -5.145 -11.139 -2.705 378 H GLU 57 H GLU 57 -7.964 -12.805 -3.704 379 HA GLU 57 HA GLU 57 -9.154 -10.288 -4.663 380 HB2 GLU 57 HB2 GLU 57 -9.644 -11.284 -6.791 381 HB3 GLU 57 HB3 GLU 57 -7.930 -11.509 -6.468 382 HG2 GLU 57 HG2 GLU 57 -8.325 -13.807 -5.814 383 HG3 GLU 57 HG3 GLU 57 -10.060 -13.594 -6.048 384 H GLY 58 H GLY 58 -9.791 -11.967 -2.335 385 HA2 GLY 58 HA2 GLY 58 -11.922 -12.205 -1.339 386 HA3 GLY 58 HA3 GLY 58 -12.630 -12.334 -2.943 387 H LEU 59 H LEU 59 -9.809 -14.196 -2.238 388 HA LEU 59 HA LEU 59 -11.477 -16.620 -2.173 389 HB2 LEU 59 HB2 LEU 59 -8.596 -16.336 -3.011 390 HB3 LEU 59 HB3 LEU 59 -9.561 -17.809 -3.080 391 HG LEU 59 HG LEU 59 -10.463 -15.414 -4.614 392 HD11 LEU 59 HD11 LEU 59 -8.362 -17.337 -5.598 393 HD12 LEU 59 HD12 LEU 59 -8.050 -15.674 -5.100 394 HD13 LEU 59 HD13 LEU 59 -9.082 -15.999 -6.493 395 HD21 LEU 59 HD21 LEU 59 -10.547 -18.364 -5.226 396 HD22 LEU 59 HD22 LEU 59 -11.397 -17.073 -6.075 397 HD23 LEU 59 HD23 LEU 59 -11.836 -17.477 -4.414 398 H SER 60 H SER 60 -10.039 -18.521 -1.180 399 HA SER 60 HA SER 60 -8.555 -17.674 1.164 400 HB2 SER 60 HB2 SER 60 -11.219 -17.904 1.530 401 HB3 SER 60 HB3 SER 60 -10.737 -19.577 1.805 402 HG SER 60 HG SER 60 -9.146 -18.673 3.304 403 H CYS 61 H CYS 61 -6.822 -18.926 1.168 404 HA CYS 61 HA CYS 61 -6.460 -21.229 -0.338 405 HB2 CYS 61 HB2 CYS 61 -4.873 -19.649 1.291 406 HB3 CYS 61 HB3 CYS 61 -4.858 -21.211 2.103 407 H THR 62 H THR 62 -7.608 -23.038 -0.178 408 HA THR 62 HA THR 62 -8.032 -24.183 2.505 409 HB THR 62 HB THR 62 -10.151 -23.301 1.519 410 HG1 THR 62 HG1 THR 62 -11.304 -25.164 2.060 411 HG21 THR 62 HG21 THR 62 -9.741 -25.501 -0.512 412 HG22 THR 62 HG22 THR 62 -9.626 -23.772 -0.843 413 HG23 THR 62 HG23 THR 62 -11.168 -24.477 -0.356 414 H LYS 63 H LYS 63 -7.544 -26.299 2.764 415 HA LYS 63 HA LYS 63 -5.910 -27.589 0.855 416 HB2 LYS 63 HB2 LYS 63 -5.656 -28.024 3.231 417 HB3 LYS 63 HB3 LYS 63 -7.288 -28.676 3.316 418 HG2 LYS 63 HG2 LYS 63 -6.708 -30.625 2.210 419 HG3 LYS 63 HG3 LYS 63 -5.262 -29.908 1.497 420 HD2 LYS 63 HD2 LYS 63 -4.028 -30.151 3.426 421 HD3 LYS 63 HD3 LYS 63 -5.454 -30.136 4.465 422 HE2 LYS 63 HE2 LYS 63 -5.070 -32.380 2.536 423 HE3 LYS 63 HE3 LYS 63 -4.135 -32.359 4.031 424 HZ1 LYS 63 HZ1 LYS 63 -6.368 -32.025 5.167 425 HZ2 LYS 63 HZ2 LYS 63 -6.048 -33.562 4.539 426 HZ3 LYS 63 HZ3 LYS 63 -7.069 -32.504 3.704 427 H VAL 64 H VAL 64 -6.440 -28.744 -0.873 428 HA VAL 64 HA VAL 64 -9.166 -29.857 -1.033 429 HB VAL 64 HB VAL 64 -8.992 -29.655 -3.481 430 HG11 VAL 64 HG11 VAL 64 -10.167 -27.879 -2.584 431 HG12 VAL 64 HG12 VAL 64 -8.757 -27.237 -1.739 432 HG13 VAL 64 HG13 VAL 64 -8.897 -27.057 -3.489 433 HG21 VAL 64 HG21 VAL 64 -6.497 -28.038 -3.020 434 HG22 VAL 64 HG22 VAL 64 -6.469 -29.737 -3.488 435 HG23 VAL 64 HG23 VAL 64 -7.198 -28.540 -4.558 436 H GLY 65 H GLY 65 -5.801 -30.508 -1.152 437 HA2 GLY 65 HA2 GLY 65 -6.383 -33.341 -1.598 438 HA3 GLY 65 HA3 GLY 65 -5.233 -32.574 -2.684 439 H GLU 66 H GLU 66 -3.799 -34.274 -1.811 440 HA GLU 66 HA GLU 66 -2.483 -33.309 0.635 441 HB2 GLU 66 HB2 GLU 66 -1.903 -35.875 0.891 442 HB3 GLU 66 HB3 GLU 66 -3.396 -35.208 1.537 443 HG2 GLU 66 HG2 GLU 66 -4.700 -36.215 -0.046 444 HG3 GLU 66 HG3 GLU 66 -3.401 -36.277 -1.236 445 HA PRO 67 HA PRO 67 -0.729 -34.609 1.803 446 HB2 PRO 67 HB2 PRO 67 1.569 -33.334 2.482 447 HB3 PRO 67 HB3 PRO 67 1.521 -35.031 1.989 448 HG2 PRO 67 HG2 PRO 67 2.242 -32.611 0.382 449 HG3 PRO 67 HG3 PRO 67 3.032 -34.198 0.429 450 HD2 PRO 67 HD2 PRO 67 1.333 -33.474 -1.552 451 HD3 PRO 67 HD3 PRO 67 1.483 -35.151 -0.988 452 H ASN 68 H ASN 68 0.558 -31.629 0.316 453 HA ASN 68 HA ASN 68 -1.349 -30.099 1.958 454 HB2 ASN 68 HB2 ASN 68 1.109 -29.929 2.659 455 HB3 ASN 68 HB3 ASN 68 1.360 -29.048 1.155 456 HD21 ASN 68 HD21 ASN 68 1.706 -27.029 1.802 457 HD22 ASN 68 HD22 ASN 68 0.638 -26.104 2.796 458 H LYS 69 H LYS 69 -2.115 -30.934 -0.495 459 HA LYS 69 HA LYS 69 -1.494 -28.982 -2.518 460 HB2 LYS 69 HB2 LYS 69 -1.991 -31.262 -3.185 461 HB3 LYS 69 HB3 LYS 69 -3.569 -31.178 -2.415 462 HG2 LYS 69 HG2 LYS 69 -4.476 -29.923 -4.089 463 HG3 LYS 69 HG3 LYS 69 -2.932 -29.191 -4.528 464 HD2 LYS 69 HD2 LYS 69 -3.586 -30.678 -6.290 465 HD3 LYS 69 HD3 LYS 69 -2.221 -31.403 -5.436 466 HE2 LYS 69 HE2 LYS 69 -3.702 -32.874 -4.230 467 HE3 LYS 69 HE3 LYS 69 -5.115 -32.082 -4.925 468 HZ1 LYS 69 HZ1 LYS 69 -4.483 -34.223 -5.994 469 HZ2 LYS 69 HZ2 LYS 69 -3.067 -33.483 -6.547 470 HZ3 LYS 69 HZ3 LYS 69 -4.574 -32.915 -7.062 471 H LEU 70 H LEU 70 -2.102 -27.092 -1.244 472 HA LEU 70 HA LEU 70 -4.897 -26.693 -0.637 473 HB2 LEU 70 HB2 LEU 70 -2.374 -25.206 -0.228 474 HB3 LEU 70 HB3 LEU 70 -3.848 -24.246 -0.343 475 HG LEU 70 HG LEU 70 -4.792 -25.386 1.562 476 HD11 LEU 70 HD11 LEU 70 -2.253 -27.009 1.619 477 HD12 LEU 70 HD12 LEU 70 -3.843 -27.603 1.144 478 HD13 LEU 70 HD13 LEU 70 -3.559 -27.074 2.802 479 HD21 LEU 70 HD21 LEU 70 -2.534 -24.966 3.083 480 HD22 LEU 70 HD22 LEU 70 -3.727 -23.745 2.636 481 HD23 LEU 70 HD23 LEU 70 -2.266 -23.947 1.668 482 H ARG 71 H ARG 71 -6.224 -25.064 -1.564 483 HA ARG 71 HA ARG 71 -5.348 -23.887 -4.084 484 HB2 ARG 71 HB2 ARG 71 -6.643 -26.249 -4.225 485 HB3 ARG 71 HB3 ARG 71 -8.022 -25.158 -4.186 486 HG2 ARG 71 HG2 ARG 71 -7.562 -25.499 -6.456 487 HG3 ARG 71 HG3 ARG 71 -6.899 -23.906 -6.086 488 HD2 ARG 71 HD2 ARG 71 -5.205 -24.900 -7.320 489 HD3 ARG 71 HD3 ARG 71 -4.695 -25.178 -5.654 490 HE ARG 71 HE ARG 71 -4.865 -27.414 -6.047 491 HH11 ARG 71 HH11 ARG 71 -6.829 -25.735 -8.378 492 HH12 ARG 71 HH12 ARG 71 -7.248 -27.169 -9.254 493 HH21 ARG 71 HH21 ARG 71 -5.408 -29.311 -7.191 494 HH22 ARG 71 HH22 ARG 71 -6.440 -29.204 -8.577 495 H CYS 72 H CYS 72 -6.464 -22.033 -4.668 496 HA CYS 72 HA CYS 72 -7.660 -20.573 -2.560 497 HB2 CYS 72 HB2 CYS 72 -6.977 -20.101 -5.385 498 HB3 CYS 72 HB3 CYS 72 -8.349 -19.167 -4.799 499 H GLN 73 H GLN 73 -9.746 -20.190 -2.041 500 HA GLN 73 HA GLN 73 -11.866 -21.077 -3.842 501 HB2 GLN 73 HB2 GLN 73 -11.179 -22.911 -2.151 502 HB3 GLN 73 HB3 GLN 73 -11.967 -21.894 -0.952 503 HG2 GLN 73 HG2 GLN 73 -13.410 -23.691 -1.836 504 HG3 GLN 73 HG3 GLN 73 -14.065 -22.073 -2.081 505 HE21 GLN 73 HE21 GLN 73 -11.581 -23.816 -3.890 506 HE22 GLN 73 HE22 GLN 73 -12.417 -23.797 -5.401 507 H GLU 74 H GLU 74 -13.406 -19.586 -3.954 508 HA GLU 74 HA GLU 74 -13.370 -17.172 -2.621 509 HB2 GLU 74 HB2 GLU 74 -15.829 -17.032 -3.296 510 HB3 GLU 74 HB3 GLU 74 -14.659 -17.278 -4.585 511 HG2 GLU 74 HG2 GLU 74 -15.208 -19.593 -4.742 512 HG3 GLU 74 HG3 GLU 74 -16.214 -19.506 -3.298 513 H GLU 75 H GLU 75 -13.627 -16.713 -0.547 514 HA GLU 75 HA GLU 75 -14.765 -18.545 1.310 515 HB2 GLU 75 HB2 GLU 75 -12.972 -16.613 1.603 516 HB3 GLU 75 HB3 GLU 75 -14.398 -15.671 2.014 517 HG2 GLU 75 HG2 GLU 75 -13.941 -18.301 3.339 518 HG3 GLU 75 HG3 GLU 75 -13.040 -16.883 3.871 519 H SER 76 H SER 76 -16.584 -18.131 2.716 520 HA SER 76 HA SER 76 -18.716 -16.632 1.343 521 HB2 SER 76 HB2 SER 76 -18.897 -19.055 3.149 522 HB3 SER 76 HB3 SER 76 -20.291 -18.173 2.522 523 HG SER 76 HG SER 76 -19.393 -18.643 0.388 Start of MODEL 11 1 H1 SER 1 H SER 1 2.459 0.856 0.969 2 HA SER 1 HA SER 1 1.832 -0.069 -1.742 3 HB2 SER 1 HB2 SER 1 3.781 1.894 -0.606 4 HB3 SER 1 HB3 SER 1 4.166 1.108 -2.137 5 HG SER 1 HG SER 1 2.214 1.903 -2.972 6 H VAL 2 H VAL 2 2.977 -1.657 -2.757 7 HA VAL 2 HA VAL 2 4.414 -3.497 -1.081 8 HB VAL 2 HB VAL 2 3.953 -3.577 -4.066 9 HG11 VAL 2 HG11 VAL 2 5.422 -5.302 -2.221 10 HG12 VAL 2 HG12 VAL 2 4.236 -6.158 -3.208 11 HG13 VAL 2 HG13 VAL 2 5.497 -5.196 -3.978 12 HG21 VAL 2 HG21 VAL 2 1.873 -3.564 -2.750 13 HG22 VAL 2 HG22 VAL 2 2.131 -5.101 -3.574 14 HG23 VAL 2 HG23 VAL 2 2.452 -4.963 -1.845 15 H THR 3 H THR 3 6.567 -4.011 -1.121 16 HA THR 3 HA THR 3 8.317 -2.488 -2.919 17 HB THR 3 HB THR 3 8.869 -2.762 0.039 18 HG1 THR 3 HG1 THR 3 8.512 -0.345 -0.191 19 HG21 THR 3 HG21 THR 3 10.554 -2.207 -2.129 20 HG22 THR 3 HG22 THR 3 10.912 -1.992 -0.415 21 HG23 THR 3 HG23 THR 3 10.252 -0.652 -1.353 22 H CYS 4 H CYS 4 9.333 -4.008 -4.054 23 HA CYS 4 HA CYS 4 10.480 -6.296 -2.597 24 HB2 CYS 4 HB2 CYS 4 9.465 -6.392 -5.442 25 HB3 CYS 4 HB3 CYS 4 10.029 -7.743 -4.465 26 H GLY 5 H GLY 5 12.605 -6.617 -2.867 27 HA2 GLY 5 HA2 GLY 5 14.751 -6.369 -3.642 28 HA3 GLY 5 HA3 GLY 5 14.048 -6.071 -5.224 29 H GLY 6 H GLY 6 13.076 -4.011 -2.639 30 HA2 GLY 6 HA2 GLY 6 13.927 -1.916 -1.977 31 HA3 GLY 6 HA3 GLY 6 15.098 -2.004 -3.284 32 H LYS 7 H LYS 7 12.759 -2.819 -5.083 33 HA LYS 7 HA LYS 7 11.935 -0.069 -5.678 34 HB2 LYS 7 HB2 LYS 7 11.872 -2.568 -7.377 35 HB3 LYS 7 HB3 LYS 7 11.305 -0.989 -7.904 36 HG2 LYS 7 HG2 LYS 7 13.623 -0.125 -7.462 37 HG3 LYS 7 HG3 LYS 7 14.119 -1.804 -7.229 38 HD2 LYS 7 HD2 LYS 7 13.572 -2.367 -9.469 39 HD3 LYS 7 HD3 LYS 7 12.730 -0.835 -9.719 40 HE2 LYS 7 HE2 LYS 7 14.923 -0.835 -10.796 41 HE3 LYS 7 HE3 LYS 7 14.838 0.369 -9.511 42 HZ1 LYS 7 HZ1 LYS 7 15.864 -2.288 -8.838 43 HZ2 LYS 7 HZ2 LYS 7 16.293 -0.775 -8.213 44 HZ3 LYS 7 HZ3 LYS 7 16.868 -1.258 -9.729 45 H GLN 8 H GLN 8 9.787 0.500 -5.980 46 HA GLN 8 HA GLN 8 7.879 -1.191 -4.587 47 HB2 GLN 8 HB2 GLN 8 7.972 1.668 -5.427 48 HB3 GLN 8 HB3 GLN 8 6.396 0.926 -5.188 49 HG2 GLN 8 HG2 GLN 8 6.683 0.700 -2.938 50 HG3 GLN 8 HG3 GLN 8 8.438 0.593 -3.061 51 HE21 GLN 8 HE21 GLN 8 9.645 2.404 -2.883 52 HE22 GLN 8 HE22 GLN 8 8.996 3.977 -2.584 53 H CYS 9 H CYS 9 5.915 -1.899 -5.457 54 HA CYS 9 HA CYS 9 5.656 -1.727 -8.381 55 HB2 CYS 9 HB2 CYS 9 5.819 -4.159 -6.665 56 HB3 CYS 9 HB3 CYS 9 4.710 -4.191 -8.034 57 H LYS 10 H LYS 10 3.429 -2.603 -9.067 58 HA LYS 10 HA LYS 10 1.448 -1.021 -7.821 59 HB2 LYS 10 HB2 LYS 10 1.522 -3.003 -10.034 60 HB3 LYS 10 HB3 LYS 10 -0.047 -2.665 -9.317 61 HG2 LYS 10 HG2 LYS 10 0.237 -0.291 -9.794 62 HG3 LYS 10 HG3 LYS 10 1.821 -0.620 -10.500 63 HD2 LYS 10 HD2 LYS 10 -0.691 -1.931 -11.506 64 HD3 LYS 10 HD3 LYS 10 -0.133 -0.370 -12.114 65 HE2 LYS 10 HE2 LYS 10 2.101 -1.561 -12.534 66 HE3 LYS 10 HE3 LYS 10 1.191 -3.057 -12.325 67 HZ1 LYS 10 HZ1 LYS 10 0.402 -0.958 -14.261 68 HZ2 LYS 10 HZ2 LYS 10 -0.159 -2.551 -14.172 69 HZ3 LYS 10 HZ3 LYS 10 1.427 -2.240 -14.669 70 HA PRO 11 HA PRO 11 -0.292 -3.599 -4.727 71 HB2 PRO 11 HB2 PRO 11 -2.952 -3.135 -5.002 72 HB3 PRO 11 HB3 PRO 11 -1.831 -1.939 -4.341 73 HG2 PRO 11 HG2 PRO 11 -2.955 -2.156 -7.107 74 HG3 PRO 11 HG3 PRO 11 -2.742 -0.715 -6.096 75 HD2 PRO 11 HD2 PRO 11 -1.024 -1.365 -8.084 76 HD3 PRO 11 HD3 PRO 11 -0.502 -0.534 -6.605 77 H ASN 12 H ASN 12 -2.042 -5.301 -4.341 78 HA ASN 12 HA ASN 12 -2.855 -7.375 -4.800 79 HB2 ASN 12 HB2 ASN 12 -3.279 -6.182 -7.550 80 HB3 ASN 12 HB3 ASN 12 -4.003 -7.678 -6.968 81 HD21 ASN 12 HD21 ASN 12 -3.853 -4.206 -6.473 82 HD22 ASN 12 HD22 ASN 12 -5.403 -4.059 -5.723 83 H SER 13 H SER 13 -0.007 -6.827 -5.176 84 HA SER 13 HA SER 13 0.622 -9.182 -6.791 85 HB2 SER 13 HB2 SER 13 2.195 -6.615 -7.058 86 HB3 SER 13 HB3 SER 13 2.399 -8.097 -7.991 87 HG SER 13 HG SER 13 0.273 -6.237 -8.083 88 H CYS 14 H CYS 14 1.782 -10.529 -5.604 89 HA CYS 14 HA CYS 14 3.158 -9.549 -3.233 90 HB2 CYS 14 HB2 CYS 14 3.257 -11.815 -2.515 91 HB3 CYS 14 HB3 CYS 14 1.660 -11.592 -3.224 92 H CYS 15 H CYS 15 5.321 -10.585 -2.722 93 HA CYS 15 HA CYS 15 7.077 -10.146 -5.001 94 HB2 CYS 15 HB2 CYS 15 7.883 -10.719 -2.148 95 HB3 CYS 15 HB3 CYS 15 8.857 -9.976 -3.414 96 H VAL 16 H VAL 16 8.003 -11.723 -6.128 97 HA VAL 16 HA VAL 16 8.064 -14.430 -4.958 98 HB VAL 16 HB VAL 16 7.956 -15.239 -7.365 99 HG11 VAL 16 HG11 VAL 16 5.956 -15.761 -6.519 100 HG12 VAL 16 HG12 VAL 16 5.833 -14.232 -5.647 101 HG13 VAL 16 HG13 VAL 16 5.361 -14.320 -7.345 102 HG21 VAL 16 HG21 VAL 16 8.465 -12.910 -8.262 103 HG22 VAL 16 HG22 VAL 16 7.182 -13.811 -9.068 104 HG23 VAL 16 HG23 VAL 16 6.776 -12.532 -7.925 105 H GLN 17 H GLN 17 9.940 -15.551 -5.067 106 HA GLN 17 HA GLN 17 12.244 -14.151 -6.235 107 HB2 GLN 17 HB2 GLN 17 11.841 -15.795 -3.829 108 HB3 GLN 17 HB3 GLN 17 13.316 -16.154 -4.718 109 HG2 GLN 17 HG2 GLN 17 12.702 -13.309 -4.173 110 HG3 GLN 17 HG3 GLN 17 13.209 -14.315 -2.817 111 HE21 GLN 17 HE21 GLN 17 14.126 -13.032 -5.935 112 HE22 GLN 17 HE22 GLN 17 15.826 -13.270 -5.750 113 H ASN 18 H ASN 18 13.271 -14.973 -7.939 114 HA ASN 18 HA ASN 18 12.745 -17.782 -8.659 115 HB2 ASN 18 HB2 ASN 18 11.859 -15.675 -10.102 116 HB3 ASN 18 HB3 ASN 18 13.450 -15.892 -10.828 117 HD21 ASN 18 HD21 ASN 18 10.354 -17.378 -10.209 118 HD22 ASN 18 HD22 ASN 18 10.486 -18.612 -11.411 119 H SER 19 H SER 19 14.926 -16.735 -7.062 120 HA SER 19 HA SER 19 17.284 -16.502 -8.621 121 HB2 SER 19 HB2 SER 19 16.854 -15.828 -6.143 122 HB3 SER 19 HB3 SER 19 17.291 -17.499 -5.785 123 HG SER 19 HG SER 19 19.256 -16.753 -5.856 124 H HIS 20 H HIS 20 18.994 -18.008 -8.872 125 HA HIS 20 HA HIS 20 18.187 -20.828 -8.596 126 HB2 HIS 20 HB2 HIS 20 18.222 -19.760 -10.980 127 HB3 HIS 20 HB3 HIS 20 19.970 -19.918 -10.830 128 HD1 HIS 20 HD1 HIS 20 20.965 -22.258 -11.023 129 HD2 HIS 20 HD2 HIS 20 16.812 -22.212 -11.148 130 HE1 HIS 20 HE1 HIS 20 20.288 -24.569 -11.747 131 H GLY 21 H GLY 21 19.847 -19.047 -6.886 132 HA2 GLY 21 HA2 GLY 21 21.638 -19.539 -5.490 133 HA3 GLY 21 HA3 GLY 21 22.042 -20.895 -6.531 134 H LYS 22 H LYS 22 21.602 -17.652 -7.757 135 HA LYS 22 HA LYS 22 24.312 -17.675 -8.780 136 HB2 LYS 22 HB2 LYS 22 22.083 -15.657 -9.097 137 HB3 LYS 22 HB3 LYS 22 23.633 -15.583 -9.926 138 HG2 LYS 22 HG2 LYS 22 21.547 -17.735 -10.223 139 HG3 LYS 22 HG3 LYS 22 21.936 -16.473 -11.394 140 HD2 LYS 22 HD2 LYS 22 24.224 -17.386 -11.571 141 HD3 LYS 22 HD3 LYS 22 23.769 -18.683 -10.462 142 HE2 LYS 22 HE2 LYS 22 23.690 -19.342 -12.854 143 HE3 LYS 22 HE3 LYS 22 22.147 -19.523 -12.019 144 HZ1 LYS 22 HZ1 LYS 22 22.246 -18.407 -14.343 145 HZ2 LYS 22 HZ2 LYS 22 22.711 -17.033 -13.473 146 HZ3 LYS 22 HZ3 LYS 22 21.225 -17.774 -13.152 147 H GLY 23 H GLY 23 22.486 -16.126 -6.252 148 HA2 GLY 23 HA2 GLY 23 23.637 -15.269 -4.321 149 HA3 GLY 23 HA3 GLY 23 24.963 -14.797 -5.372 150 H LYS 24 H LYS 24 21.998 -14.096 -6.785 151 HA LYS 24 HA LYS 24 22.034 -11.347 -5.728 152 HB2 LYS 24 HB2 LYS 24 21.905 -12.280 -8.585 153 HB3 LYS 24 HB3 LYS 24 21.284 -10.705 -8.112 154 HG2 LYS 24 HG2 LYS 24 23.550 -10.216 -7.146 155 HG3 LYS 24 HG3 LYS 24 24.112 -11.703 -7.912 156 HD2 LYS 24 HD2 LYS 24 23.590 -10.857 -10.088 157 HD3 LYS 24 HD3 LYS 24 22.777 -9.448 -9.403 158 HE2 LYS 24 HE2 LYS 24 24.998 -8.867 -10.227 159 HE3 LYS 24 HE3 LYS 24 24.899 -8.670 -8.478 160 HZ1 LYS 24 HZ1 LYS 24 26.878 -9.952 -9.682 161 HZ2 LYS 24 HZ2 LYS 24 25.829 -11.255 -9.431 162 HZ3 LYS 24 HZ3 LYS 24 26.358 -10.330 -8.117 163 H ASP 25 H ASP 25 20.294 -11.801 -4.354 164 HA ASP 25 HA ASP 25 17.893 -13.034 -5.146 165 HB2 ASP 25 HB2 ASP 25 16.945 -11.784 -3.122 166 HB3 ASP 25 HB3 ASP 25 18.279 -12.893 -2.823 167 H SER 26 H SER 26 17.095 -12.224 -7.053 168 HA SER 26 HA SER 26 16.187 -9.419 -6.986 169 HB2 SER 26 HB2 SER 26 17.943 -9.950 -8.713 170 HB3 SER 26 HB3 SER 26 16.779 -11.036 -9.473 171 HG SER 26 HG SER 26 16.751 -8.955 -10.420 172 HA PRO 27 HA PRO 27 12.377 -11.986 -6.989 173 HB2 PRO 27 HB2 PRO 27 10.946 -10.231 -5.491 174 HB3 PRO 27 HB3 PRO 27 12.018 -11.446 -4.784 175 HG2 PRO 27 HG2 PRO 27 12.519 -8.536 -5.280 176 HG3 PRO 27 HG3 PRO 27 12.927 -9.516 -3.859 177 HD2 PRO 27 HD2 PRO 27 14.747 -8.876 -5.760 178 HD3 PRO 27 HD3 PRO 27 14.808 -10.402 -4.855 179 H ARG 28 H ARG 28 10.199 -11.449 -7.763 180 HA ARG 28 HA ARG 28 10.131 -9.039 -9.453 181 HB2 ARG 28 HB2 ARG 28 9.477 -11.880 -10.201 182 HB3 ARG 28 HB3 ARG 28 8.795 -10.519 -11.084 183 HG2 ARG 28 HG2 ARG 28 11.300 -9.771 -11.252 184 HG3 ARG 28 HG3 ARG 28 11.607 -11.484 -10.958 185 HD2 ARG 28 HD2 ARG 28 10.220 -12.074 -12.870 186 HD3 ARG 28 HD3 ARG 28 9.850 -10.373 -13.144 187 HE ARG 28 HE ARG 28 12.266 -11.763 -13.862 188 HH11 ARG 28 HH11 ARG 28 10.815 -8.671 -13.192 189 HH12 ARG 28 HH12 ARG 28 11.993 -7.776 -14.094 190 HH21 ARG 28 HH21 ARG 28 13.823 -10.596 -15.054 191 HH22 ARG 28 HH22 ARG 28 13.702 -8.873 -15.154 192 H CYS 29 H CYS 29 7.813 -8.676 -10.293 193 HA CYS 29 HA CYS 29 6.011 -8.934 -7.990 194 HB2 CYS 29 HB2 CYS 29 5.695 -7.092 -10.361 195 HB3 CYS 29 HB3 CYS 29 4.849 -7.010 -8.819 196 H HIS 30 H HIS 30 4.613 -10.554 -8.114 197 HA HIS 30 HA HIS 30 3.505 -11.259 -10.752 198 HB2 HIS 30 HB2 HIS 30 4.699 -12.879 -8.731 199 HB3 HIS 30 HB3 HIS 30 2.999 -13.319 -8.848 200 HD1 HIS 30 HD1 HIS 30 5.467 -12.413 -11.601 201 HD2 HIS 30 HD2 HIS 30 2.987 -15.527 -10.412 202 HE1 HIS 30 HE1 HIS 30 5.635 -14.139 -13.422 203 HA PRO 31 HA PRO 31 -0.497 -10.076 -9.377 204 HB2 PRO 31 HB2 PRO 31 -2.031 -11.735 -10.883 205 HB3 PRO 31 HB3 PRO 31 -1.175 -10.342 -11.557 206 HG2 PRO 31 HG2 PRO 31 -0.402 -13.235 -11.581 207 HG3 PRO 31 HG3 PRO 31 -0.299 -12.038 -12.886 208 HD2 PRO 31 HD2 PRO 31 1.846 -12.761 -11.401 209 HD3 PRO 31 HD3 PRO 31 1.654 -11.127 -12.068 210 H LEU 32 H LEU 32 -2.163 -10.692 -8.003 211 HA LEU 32 HA LEU 32 -1.651 -12.730 -6.163 212 HB2 LEU 32 HB2 LEU 32 -4.088 -11.107 -6.803 213 HB3 LEU 32 HB3 LEU 32 -4.134 -12.367 -5.573 214 HG LEU 32 HG LEU 32 -2.229 -10.034 -5.500 215 HD11 LEU 32 HD11 LEU 32 -3.930 -9.477 -3.535 216 HD12 LEU 32 HD12 LEU 32 -5.048 -10.287 -4.631 217 HD13 LEU 32 HD13 LEU 32 -4.150 -8.871 -5.177 218 HD21 LEU 32 HD21 LEU 32 -1.821 -10.685 -3.249 219 HD22 LEU 32 HD22 LEU 32 -1.648 -12.128 -4.247 220 HD23 LEU 32 HD23 LEU 32 -3.113 -11.884 -3.295 221 H GLY 33 H GLY 33 -2.617 -14.741 -5.790 222 HA2 GLY 33 HA2 GLY 33 -3.075 -16.333 -8.061 223 HA3 GLY 33 HA3 GLY 33 -3.416 -16.804 -6.403 224 H LYS 34 H LYS 34 -4.971 -17.497 -8.689 225 HA LYS 34 HA LYS 34 -7.429 -15.941 -8.247 226 HB2 LYS 34 HB2 LYS 34 -8.200 -16.740 -10.391 227 HB3 LYS 34 HB3 LYS 34 -6.592 -16.054 -10.582 228 HG2 LYS 34 HG2 LYS 34 -5.605 -18.230 -10.699 229 HG3 LYS 34 HG3 LYS 34 -7.142 -18.998 -10.292 230 HD2 LYS 34 HD2 LYS 34 -6.978 -19.241 -12.613 231 HD3 LYS 34 HD3 LYS 34 -8.052 -17.856 -12.400 232 HE2 LYS 34 HE2 LYS 34 -6.637 -17.005 -13.975 233 HE3 LYS 34 HE3 LYS 34 -5.775 -16.523 -12.515 234 HZ1 LYS 34 HZ1 LYS 34 -4.685 -17.897 -14.550 235 HZ2 LYS 34 HZ2 LYS 34 -5.092 -19.151 -13.492 236 HZ3 LYS 34 HZ3 LYS 34 -4.087 -17.896 -12.968 237 H LEU 35 H LEU 35 -9.339 -17.668 -9.075 238 HA LEU 35 HA LEU 35 -9.589 -19.414 -6.827 239 HB2 LEU 35 HB2 LEU 35 -11.569 -18.389 -7.591 240 HB3 LEU 35 HB3 LEU 35 -11.278 -18.893 -9.254 241 HG LEU 35 HG LEU 35 -11.737 -21.224 -8.608 242 HD11 LEU 35 HD11 LEU 35 -13.030 -20.638 -6.092 243 HD12 LEU 35 HD12 LEU 35 -11.301 -20.299 -6.025 244 HD13 LEU 35 HD13 LEU 35 -11.867 -21.901 -6.497 245 HD21 LEU 35 HD21 LEU 35 -13.946 -20.957 -8.938 246 HD22 LEU 35 HD22 LEU 35 -13.520 -19.255 -9.124 247 HD23 LEU 35 HD23 LEU 35 -14.124 -19.850 -7.576 248 H ASN 36 H ASN 36 -9.668 -21.660 -6.781 249 HA ASN 36 HA ASN 36 -8.970 -23.764 -7.290 250 HB2 ASN 36 HB2 ASN 36 -9.717 -22.904 -10.094 251 HB3 ASN 36 HB3 ASN 36 -9.446 -24.565 -9.579 252 HD21 ASN 36 HD21 ASN 36 -11.827 -23.184 -10.673 253 HD22 ASN 36 HD22 ASN 36 -13.089 -23.489 -9.535 254 H ASN 37 H ASN 37 -6.998 -21.645 -7.252 255 HA ASN 37 HA ASN 37 -5.009 -22.792 -9.102 256 HB2 ASN 37 HB2 ASN 37 -5.765 -20.036 -8.609 257 HB3 ASN 37 HB3 ASN 37 -4.050 -20.291 -8.299 258 HD21 ASN 37 HD21 ASN 37 -6.481 -21.293 -10.685 259 HD22 ASN 37 HD22 ASN 37 -5.488 -21.002 -12.069 260 HA PRO 38 HA PRO 38 -2.460 -23.864 -5.696 261 HB2 PRO 38 HB2 PRO 38 0.026 -23.318 -6.640 262 HB3 PRO 38 HB3 PRO 38 -0.942 -24.681 -7.215 263 HG2 PRO 38 HG2 PRO 38 -0.537 -21.987 -8.457 264 HG3 PRO 38 HG3 PRO 38 -0.550 -23.584 -9.227 265 HD2 PRO 38 HD2 PRO 38 -2.683 -21.916 -9.296 266 HD3 PRO 38 HD3 PRO 38 -2.853 -23.683 -9.272 267 H CYS 39 H CYS 39 -2.405 -22.744 -3.856 268 HA CYS 39 HA CYS 39 -0.933 -20.203 -3.801 269 HB2 CYS 39 HB2 CYS 39 -2.604 -19.135 -2.458 270 HB3 CYS 39 HB3 CYS 39 -3.413 -19.796 -3.876 271 H GLU 40 H GLU 40 -0.491 -19.528 -1.470 272 HA GLU 40 HA GLU 40 -0.052 -21.888 0.231 273 HB2 GLU 40 HB2 GLU 40 2.057 -21.338 -0.877 274 HB3 GLU 40 HB3 GLU 40 1.934 -19.676 -0.319 275 HG2 GLU 40 HG2 GLU 40 3.482 -20.777 1.088 276 HG3 GLU 40 HG3 GLU 40 2.006 -20.541 2.022 277 H VAL 41 H VAL 41 -0.200 -21.564 2.436 278 HA VAL 41 HA VAL 41 -1.972 -19.671 3.390 279 HB VAL 41 HB VAL 41 0.204 -20.996 5.013 280 HG11 VAL 41 HG11 VAL 41 -2.513 -20.007 5.864 281 HG12 VAL 41 HG12 VAL 41 -1.256 -20.686 6.899 282 HG13 VAL 41 HG13 VAL 41 -1.005 -19.127 6.111 283 HG21 VAL 41 HG21 VAL 41 -0.886 -22.768 3.941 284 HG22 VAL 41 HG22 VAL 41 -1.694 -22.644 5.503 285 HG23 VAL 41 HG23 VAL 41 -2.463 -21.988 4.059 286 H GLU 42 H GLU 42 1.529 -19.687 4.099 287 HA GLU 42 HA GLU 42 1.528 -16.764 3.901 288 HB2 GLU 42 HB2 GLU 42 2.425 -18.384 6.277 289 HB3 GLU 42 HB3 GLU 42 3.028 -16.760 5.980 290 HG2 GLU 42 HG2 GLU 42 0.088 -17.242 6.041 291 HG3 GLU 42 HG3 GLU 42 0.991 -17.148 7.552 292 HA PRO 43 HA PRO 43 5.352 -17.255 1.809 293 HB2 PRO 43 HB2 PRO 43 6.683 -15.011 2.560 294 HB3 PRO 43 HB3 PRO 43 5.316 -14.988 1.441 295 HG2 PRO 43 HG2 PRO 43 5.375 -14.378 4.370 296 HG3 PRO 43 HG3 PRO 43 4.534 -13.521 3.067 297 HD2 PRO 43 HD2 PRO 43 3.272 -15.255 4.720 298 HD3 PRO 43 HD3 PRO 43 2.794 -15.032 3.025 299 H ASN 44 H ASN 44 7.875 -16.669 2.374 300 HA ASN 44 HA ASN 44 8.576 -18.595 4.380 301 HB2 ASN 44 HB2 ASN 44 10.613 -16.800 3.130 302 HB3 ASN 44 HB3 ASN 44 10.716 -18.517 3.507 303 HD21 ASN 44 HD21 ASN 44 11.162 -16.856 1.026 304 HD22 ASN 44 HD22 ASN 44 10.252 -17.671 -0.195 305 H GLU 45 H GLU 45 10.866 -17.628 5.519 306 HA GLU 45 HA GLU 45 9.869 -16.130 7.692 307 HB2 GLU 45 HB2 GLU 45 12.789 -16.389 7.011 308 HB3 GLU 45 HB3 GLU 45 12.049 -16.245 8.599 309 HG2 GLU 45 HG2 GLU 45 10.917 -18.538 7.585 310 HG3 GLU 45 HG3 GLU 45 12.575 -18.603 6.992 311 H ASN 46 H ASN 46 11.272 -15.216 4.675 312 HA ASN 46 HA ASN 46 11.857 -12.507 5.560 313 HB2 ASN 46 HB2 ASN 46 12.232 -13.969 2.951 314 HB3 ASN 46 HB3 ASN 46 12.475 -12.230 3.085 315 HD21 ASN 46 HD21 ASN 46 13.945 -15.183 3.251 316 HD22 ASN 46 HD22 ASN 46 15.372 -14.737 4.117 317 H GLY 47 H GLY 47 9.407 -14.274 3.831 318 HA2 GLY 47 HA2 GLY 47 7.171 -13.423 3.709 319 HA3 GLY 47 HA3 GLY 47 7.833 -11.795 3.659 320 H ILE 48 H ILE 48 9.059 -14.448 1.725 321 HA ILE 48 HA ILE 48 7.953 -13.130 -0.669 322 HB ILE 48 HB ILE 48 10.562 -14.638 -0.567 323 HG12 ILE 48 HG12 ILE 48 10.114 -11.645 -0.529 324 HG13 ILE 48 HG13 ILE 48 10.670 -12.606 0.837 325 HG21 ILE 48 HG21 ILE 48 9.278 -12.875 -2.646 326 HG22 ILE 48 HG22 ILE 48 10.938 -13.465 -2.730 327 HG23 ILE 48 HG23 ILE 48 9.595 -14.606 -2.759 328 HD11 ILE 48 HD11 ILE 48 12.110 -11.930 -1.696 329 HD12 ILE 48 HD12 ILE 48 12.609 -11.668 -0.025 330 HD13 ILE 48 HD13 ILE 48 12.602 -13.298 -0.696 331 H TYR 49 H TYR 49 7.359 -14.462 -2.421 332 HA TYR 49 HA TYR 49 6.740 -17.221 -1.624 333 HB2 TYR 49 HB2 TYR 49 5.468 -15.343 -3.608 334 HB3 TYR 49 HB3 TYR 49 5.119 -17.069 -3.602 335 HD1 TYR 49 HD1 TYR 49 4.930 -13.986 -1.554 336 HD2 TYR 49 HD2 TYR 49 3.586 -17.991 -2.063 337 HE1 TYR 49 HE1 TYR 49 3.224 -13.627 0.181 338 HE2 TYR 49 HE2 TYR 49 1.875 -17.642 -0.330 339 HH TYR 49 HH TYR 49 1.466 -14.486 1.239 340 H SER 50 H SER 50 6.365 -18.537 -3.878 341 HA SER 50 HA SER 50 9.033 -18.583 -5.080 342 HB2 SER 50 HB2 SER 50 6.976 -20.598 -4.482 343 HB3 SER 50 HB3 SER 50 7.747 -20.799 -6.055 344 HG SER 50 HG SER 50 9.779 -20.680 -4.918 345 H GLN 51 H GLN 51 5.896 -19.556 -6.426 346 HA GLN 51 HA GLN 51 6.439 -17.813 -8.738 347 HB2 GLN 51 HB2 GLN 51 6.557 -20.477 -8.901 348 HB3 GLN 51 HB3 GLN 51 4.823 -20.280 -9.114 349 HG2 GLN 51 HG2 GLN 51 5.046 -19.214 -11.125 350 HG3 GLN 51 HG3 GLN 51 6.658 -18.607 -10.748 351 HE21 GLN 51 HE21 GLN 51 5.327 -21.882 -10.629 352 HE22 GLN 51 HE22 GLN 51 6.453 -22.570 -11.744 353 H HIS 52 H HIS 52 3.776 -19.703 -7.297 354 HA HIS 52 HA HIS 52 1.788 -17.892 -8.278 355 HB2 HIS 52 HB2 HIS 52 0.238 -19.261 -6.852 356 HB3 HIS 52 HB3 HIS 52 1.172 -20.196 -8.015 357 HD1 HIS 52 HD1 HIS 52 0.838 -19.554 -4.338 358 HD2 HIS 52 HD2 HIS 52 2.959 -22.026 -6.916 359 HE1 HIS 52 HE1 HIS 52 1.908 -21.295 -2.872 360 H CYS 53 H CYS 53 0.272 -16.718 -6.908 361 HA CYS 53 HA CYS 53 1.624 -15.589 -4.548 362 HB2 CYS 53 HB2 CYS 53 -0.136 -14.403 -6.653 363 HB3 CYS 53 HB3 CYS 53 -0.160 -13.699 -5.039 364 HA PRO 54 HA PRO 54 -1.591 -16.874 -1.854 365 HB2 PRO 54 HB2 PRO 54 -1.852 -14.737 -0.198 366 HB3 PRO 54 HB3 PRO 54 -0.457 -15.822 -0.155 367 HG2 PRO 54 HG2 PRO 54 -0.730 -13.139 -1.456 368 HG3 PRO 54 HG3 PRO 54 0.619 -13.791 -0.508 369 HD2 PRO 54 HD2 PRO 54 0.641 -13.717 -3.215 370 HD3 PRO 54 HD3 PRO 54 1.452 -14.996 -2.288 371 H CYS 55 H CYS 55 -3.769 -16.335 -1.010 372 HA CYS 55 HA CYS 55 -5.435 -15.344 -3.089 373 HB2 CYS 55 HB2 CYS 55 -6.082 -16.060 -0.222 374 HB3 CYS 55 HB3 CYS 55 -7.280 -15.727 -1.469 375 H GLY 56 H GLY 56 -6.063 -13.329 -3.491 376 HA2 GLY 56 HA2 GLY 56 -6.349 -11.425 -1.297 377 HA3 GLY 56 HA3 GLY 56 -5.170 -11.024 -2.537 378 H GLU 57 H GLU 57 -7.906 -12.783 -3.601 379 HA GLU 57 HA GLU 57 -9.179 -10.301 -4.545 380 HB2 GLU 57 HB2 GLU 57 -9.597 -11.282 -6.692 381 HB3 GLU 57 HB3 GLU 57 -7.882 -11.458 -6.343 382 HG2 GLU 57 HG2 GLU 57 -8.174 -13.770 -5.782 383 HG3 GLU 57 HG3 GLU 57 -9.925 -13.625 -5.923 384 H GLY 58 H GLY 58 -9.766 -12.082 -2.256 385 HA2 GLY 58 HA2 GLY 58 -11.900 -12.406 -1.285 386 HA3 GLY 58 HA3 GLY 58 -12.588 -12.521 -2.898 387 H LEU 59 H LEU 59 -9.711 -14.304 -2.243 388 HA LEU 59 HA LEU 59 -11.292 -16.784 -2.262 389 HB2 LEU 59 HB2 LEU 59 -8.392 -16.401 -2.989 390 HB3 LEU 59 HB3 LEU 59 -9.333 -17.880 -3.165 391 HG LEU 59 HG LEU 59 -10.182 -15.415 -4.624 392 HD11 LEU 59 HD11 LEU 59 -7.766 -15.672 -5.052 393 HD12 LEU 59 HD12 LEU 59 -8.752 -15.964 -6.486 394 HD13 LEU 59 HD13 LEU 59 -8.063 -17.323 -5.598 395 HD21 LEU 59 HD21 LEU 59 -11.037 -17.037 -6.208 396 HD22 LEU 59 HD22 LEU 59 -11.619 -17.410 -4.585 397 HD23 LEU 59 HD23 LEU 59 -10.305 -18.354 -5.290 398 H SER 60 H SER 60 -10.087 -18.664 -1.174 399 HA SER 60 HA SER 60 -8.568 -17.860 1.178 400 HB2 SER 60 HB2 SER 60 -11.233 -18.025 1.499 401 HB3 SER 60 HB3 SER 60 -10.814 -19.721 1.743 402 HG SER 60 HG SER 60 -10.447 -17.604 3.392 403 H CYS 61 H CYS 61 -6.883 -19.170 1.305 404 HA CYS 61 HA CYS 61 -6.483 -21.441 -0.241 405 HB2 CYS 61 HB2 CYS 61 -5.151 -20.228 2.115 406 HB3 CYS 61 HB3 CYS 61 -4.788 -21.922 1.799 407 H THR 62 H THR 62 -7.685 -23.221 -0.202 408 HA THR 62 HA THR 62 -8.274 -24.441 2.415 409 HB THR 62 HB THR 62 -10.321 -23.443 1.386 410 HG1 THR 62 HG1 THR 62 -10.539 -25.233 2.769 411 HG21 THR 62 HG21 THR 62 -9.698 -23.855 -0.974 412 HG22 THR 62 HG22 THR 62 -11.301 -24.475 -0.577 413 HG23 THR 62 HG23 THR 62 -9.935 -25.582 -0.710 414 H LYS 63 H LYS 63 -7.919 -26.598 2.598 415 HA LYS 63 HA LYS 63 -6.247 -27.870 0.699 416 HB2 LYS 63 HB2 LYS 63 -6.630 -28.248 3.308 417 HB3 LYS 63 HB3 LYS 63 -7.722 -29.492 2.716 418 HG2 LYS 63 HG2 LYS 63 -5.959 -30.618 1.588 419 HG3 LYS 63 HG3 LYS 63 -4.843 -29.281 1.875 420 HD2 LYS 63 HD2 LYS 63 -4.385 -29.956 3.974 421 HD3 LYS 63 HD3 LYS 63 -6.061 -30.405 4.300 422 HE2 LYS 63 HE2 LYS 63 -5.791 -32.500 3.189 423 HE3 LYS 63 HE3 LYS 63 -4.207 -32.033 2.572 424 HZ1 LYS 63 HZ1 LYS 63 -4.208 -31.804 5.374 425 HZ2 LYS 63 HZ2 LYS 63 -3.280 -32.829 4.400 426 HZ3 LYS 63 HZ3 LYS 63 -4.793 -33.337 4.960 427 H VAL 64 H VAL 64 -6.722 -29.063 -1.029 428 HA VAL 64 HA VAL 64 -9.470 -30.092 -1.309 429 HB VAL 64 HB VAL 64 -9.411 -29.644 -3.686 430 HG11 VAL 64 HG11 VAL 64 -10.270 -27.658 -3.198 431 HG12 VAL 64 HG12 VAL 64 -9.396 -27.642 -1.664 432 HG13 VAL 64 HG13 VAL 64 -8.645 -26.978 -3.116 433 HG21 VAL 64 HG21 VAL 64 -7.567 -28.414 -4.722 434 HG22 VAL 64 HG22 VAL 64 -6.680 -28.456 -3.198 435 HG23 VAL 64 HG23 VAL 64 -7.020 -29.955 -4.062 436 H GLY 65 H GLY 65 -6.608 -31.148 -0.603 437 HA2 GLY 65 HA2 GLY 65 -7.004 -33.758 -1.611 438 HA3 GLY 65 HA3 GLY 65 -5.781 -32.943 -2.575 439 H GLU 66 H GLU 66 -4.293 -34.563 -1.827 440 HA GLU 66 HA GLU 66 -3.121 -33.828 0.752 441 HB2 GLU 66 HB2 GLU 66 -2.646 -36.414 0.950 442 HB3 GLU 66 HB3 GLU 66 -4.150 -35.723 1.540 443 HG2 GLU 66 HG2 GLU 66 -5.338 -36.460 -0.381 444 HG3 GLU 66 HG3 GLU 66 -3.847 -36.928 -1.196 445 HA PRO 67 HA PRO 67 -1.461 -35.220 1.940 446 HB2 PRO 67 HB2 PRO 67 0.850 -34.048 2.749 447 HB3 PRO 67 HB3 PRO 67 0.765 -35.726 2.200 448 HG2 PRO 67 HG2 PRO 67 1.630 -33.284 0.700 449 HG3 PRO 67 HG3 PRO 67 2.363 -34.899 0.727 450 HD2 PRO 67 HD2 PRO 67 0.770 -34.057 -1.294 451 HD3 PRO 67 HD3 PRO 67 0.840 -35.753 -0.778 452 H ASN 68 H ASN 68 -0.185 -32.255 0.444 453 HA ASN 68 HA ASN 68 -2.067 -30.708 2.084 454 HB2 ASN 68 HB2 ASN 68 0.284 -30.609 3.014 455 HB3 ASN 68 HB3 ASN 68 0.759 -29.796 1.525 456 HD21 ASN 68 HD21 ASN 68 1.360 -28.261 3.376 457 HD22 ASN 68 HD22 ASN 68 0.185 -27.051 3.752 458 H LYS 69 H LYS 69 -3.064 -31.150 -0.177 459 HA LYS 69 HA LYS 69 -2.091 -29.452 -2.298 460 HB2 LYS 69 HB2 LYS 69 -3.217 -31.669 -2.677 461 HB3 LYS 69 HB3 LYS 69 -4.722 -30.929 -2.148 462 HG2 LYS 69 HG2 LYS 69 -4.864 -29.572 -4.024 463 HG3 LYS 69 HG3 LYS 69 -3.146 -29.737 -4.394 464 HD2 LYS 69 HD2 LYS 69 -4.209 -32.336 -4.445 465 HD3 LYS 69 HD3 LYS 69 -5.365 -31.317 -5.307 466 HE2 LYS 69 HE2 LYS 69 -2.400 -31.448 -5.853 467 HE3 LYS 69 HE3 LYS 69 -3.647 -32.264 -6.795 468 HZ1 LYS 69 HZ1 LYS 69 -4.492 -30.230 -7.554 469 HZ2 LYS 69 HZ2 LYS 69 -2.813 -30.068 -7.680 470 HZ3 LYS 69 HZ3 LYS 69 -3.639 -29.331 -6.401 471 H LEU 70 H LEU 70 -2.187 -27.432 -1.116 472 HA LEU 70 HA LEU 70 -4.771 -26.395 -0.353 473 HB2 LEU 70 HB2 LEU 70 -2.179 -25.860 0.390 474 HB3 LEU 70 HB3 LEU 70 -2.593 -24.469 -0.611 475 HG LEU 70 HG LEU 70 -4.515 -24.004 0.841 476 HD11 LEU 70 HD11 LEU 70 -5.347 -25.566 2.171 477 HD12 LEU 70 HD12 LEU 70 -3.853 -25.567 3.110 478 HD13 LEU 70 HD13 LEU 70 -4.032 -26.658 1.736 479 HD21 LEU 70 HD21 LEU 70 -2.769 -22.717 1.544 480 HD22 LEU 70 HD22 LEU 70 -1.733 -24.103 1.881 481 HD23 LEU 70 HD23 LEU 70 -3.026 -23.675 3.002 482 H ARG 71 H ARG 71 -6.074 -25.107 -1.515 483 HA ARG 71 HA ARG 71 -5.054 -23.832 -3.940 484 HB2 ARG 71 HB2 ARG 71 -6.847 -26.119 -3.873 485 HB3 ARG 71 HB3 ARG 71 -7.573 -24.746 -4.697 486 HG2 ARG 71 HG2 ARG 71 -6.527 -25.703 -6.461 487 HG3 ARG 71 HG3 ARG 71 -5.205 -24.686 -5.884 488 HD2 ARG 71 HD2 ARG 71 -4.034 -26.461 -5.020 489 HD3 ARG 71 HD3 ARG 71 -5.484 -27.429 -4.766 490 HE ARG 71 HE ARG 71 -5.210 -28.302 -6.858 491 HH11 ARG 71 HH11 ARG 71 -3.361 -25.362 -6.617 492 HH12 ARG 71 HH12 ARG 71 -2.604 -25.557 -8.163 493 HH21 ARG 71 HH21 ARG 71 -4.220 -28.570 -8.896 494 HH22 ARG 71 HH22 ARG 71 -3.094 -27.381 -9.458 495 H CYS 72 H CYS 72 -6.212 -22.010 -4.602 496 HA CYS 72 HA CYS 72 -7.529 -20.587 -2.527 497 HB2 CYS 72 HB2 CYS 72 -6.714 -20.063 -5.316 498 HB3 CYS 72 HB3 CYS 72 -8.100 -19.135 -4.754 499 H GLN 73 H GLN 73 -9.621 -20.443 -2.022 500 HA GLN 73 HA GLN 73 -11.623 -21.292 -3.991 501 HB2 GLN 73 HB2 GLN 73 -11.104 -23.159 -2.395 502 HB3 GLN 73 HB3 GLN 73 -11.688 -22.133 -1.091 503 HG2 GLN 73 HG2 GLN 73 -13.315 -23.829 -1.989 504 HG3 GLN 73 HG3 GLN 73 -13.890 -22.164 -1.912 505 HE21 GLN 73 HE21 GLN 73 -11.798 -23.757 -4.275 506 HE22 GLN 73 HE22 GLN 73 -12.822 -23.473 -5.637 507 H GLU 74 H GLU 74 -13.260 -19.904 -4.170 508 HA GLU 74 HA GLU 74 -13.342 -17.443 -2.923 509 HB2 GLU 74 HB2 GLU 74 -15.736 -17.348 -3.693 510 HB3 GLU 74 HB3 GLU 74 -14.567 -17.758 -4.941 511 HG2 GLU 74 HG2 GLU 74 -15.735 -19.567 -5.420 512 HG3 GLU 74 HG3 GLU 74 -15.429 -20.184 -3.798 513 H GLU 75 H GLU 75 -13.742 -16.864 -0.902 514 HA GLU 75 HA GLU 75 -14.672 -18.644 1.073 515 HB2 GLU 75 HB2 GLU 75 -13.280 -16.418 1.246 516 HB3 GLU 75 HB3 GLU 75 -14.864 -15.681 1.441 517 HG2 GLU 75 HG2 GLU 75 -14.180 -18.029 3.127 518 HG3 GLU 75 HG3 GLU 75 -13.447 -16.472 3.507 519 H SER 76 H SER 76 -16.606 -18.533 2.340 520 HA SER 76 HA SER 76 -18.952 -18.200 0.733 521 HB2 SER 76 HB2 SER 76 -18.710 -18.815 3.689 522 HB3 SER 76 HB3 SER 76 -20.166 -18.997 2.711 523 HG SER 76 HG SER 76 -18.693 -20.909 3.105 Start of MODEL 12 1 H1 SER 1 H SER 1 1.198 0.288 -2.318 2 HA SER 1 HA SER 1 1.799 -0.525 -5.040 3 HB2 SER 1 HB2 SER 1 3.946 1.018 -4.799 4 HB3 SER 1 HB3 SER 1 2.440 1.647 -5.467 5 HG SER 1 HG SER 1 3.606 2.824 -3.652 6 H VAL 2 H VAL 2 2.738 -2.430 -4.771 7 HA VAL 2 HA VAL 2 4.010 -3.220 -2.348 8 HB VAL 2 HB VAL 2 2.828 -4.796 -3.879 9 HG11 VAL 2 HG11 VAL 2 3.920 -3.748 -5.945 10 HG12 VAL 2 HG12 VAL 2 5.305 -4.775 -5.571 11 HG13 VAL 2 HG13 VAL 2 3.735 -5.501 -5.915 12 HG21 VAL 2 HG21 VAL 2 4.266 -5.699 -2.190 13 HG22 VAL 2 HG22 VAL 2 4.520 -6.617 -3.673 14 HG23 VAL 2 HG23 VAL 2 5.697 -5.401 -3.178 15 H THR 3 H THR 3 6.161 -3.528 -1.886 16 HA THR 3 HA THR 3 8.101 -2.539 -3.869 17 HB THR 3 HB THR 3 8.352 -2.014 -0.907 18 HG1 THR 3 HG1 THR 3 7.245 -0.205 -1.170 19 HG21 THR 3 HG21 THR 3 10.468 -1.760 -1.785 20 HG22 THR 3 HG22 THR 3 9.828 -0.131 -1.996 21 HG23 THR 3 HG23 THR 3 9.869 -1.246 -3.361 22 H CYS 4 H CYS 4 9.430 -4.137 -4.393 23 HA CYS 4 HA CYS 4 10.509 -5.840 -2.265 24 HB2 CYS 4 HB2 CYS 4 9.602 -6.963 -4.917 25 HB3 CYS 4 HB3 CYS 4 10.166 -7.857 -3.510 26 H GLY 5 H GLY 5 12.654 -5.844 -2.327 27 HA2 GLY 5 HA2 GLY 5 14.805 -5.861 -3.157 28 HA3 GLY 5 HA3 GLY 5 14.130 -6.113 -4.759 29 H GLY 6 H GLY 6 12.951 -3.409 -2.995 30 HA2 GLY 6 HA2 GLY 6 13.630 -1.160 -3.019 31 HA3 GLY 6 HA3 GLY 6 14.909 -1.582 -4.149 32 H LYS 7 H LYS 7 12.583 -3.101 -5.601 33 HA LYS 7 HA LYS 7 11.892 -0.814 -7.283 34 HB2 LYS 7 HB2 LYS 7 12.564 -3.508 -7.802 35 HB3 LYS 7 HB3 LYS 7 10.879 -3.317 -8.272 36 HG2 LYS 7 HG2 LYS 7 11.887 -1.123 -9.415 37 HG3 LYS 7 HG3 LYS 7 13.324 -2.147 -9.445 38 HD2 LYS 7 HD2 LYS 7 10.771 -3.370 -10.322 39 HD3 LYS 7 HD3 LYS 7 11.497 -2.168 -11.391 40 HE2 LYS 7 HE2 LYS 7 13.637 -3.466 -11.238 41 HE3 LYS 7 HE3 LYS 7 12.741 -4.720 -10.381 42 HZ1 LYS 7 HZ1 LYS 7 11.723 -3.791 -12.968 43 HZ2 LYS 7 HZ2 LYS 7 11.605 -5.317 -12.250 44 HZ3 LYS 7 HZ3 LYS 7 13.061 -4.825 -12.956 45 H GLN 8 H GLN 8 9.833 -0.122 -7.647 46 HA GLN 8 HA GLN 8 7.786 -1.176 -5.839 47 HB2 GLN 8 HB2 GLN 8 8.213 1.439 -7.224 48 HB3 GLN 8 HB3 GLN 8 6.582 0.980 -6.752 49 HG2 GLN 8 HG2 GLN 8 7.009 1.192 -4.534 50 HG3 GLN 8 HG3 GLN 8 8.707 0.753 -4.704 51 HE21 GLN 8 HE21 GLN 8 9.081 2.563 -3.278 52 HE22 GLN 8 HE22 GLN 8 9.163 4.160 -3.933 53 H CYS 9 H CYS 9 5.892 -2.043 -6.529 54 HA CYS 9 HA CYS 9 5.393 -2.126 -9.425 55 HB2 CYS 9 HB2 CYS 9 5.793 -4.383 -7.551 56 HB3 CYS 9 HB3 CYS 9 4.447 -4.546 -8.674 57 H LYS 10 H LYS 10 3.112 -3.045 -9.840 58 HA LYS 10 HA LYS 10 1.241 -1.323 -8.644 59 HB2 LYS 10 HB2 LYS 10 1.187 -3.513 -10.611 60 HB3 LYS 10 HB3 LYS 10 -0.319 -3.283 -9.731 61 HG2 LYS 10 HG2 LYS 10 -0.410 -0.966 -10.436 62 HG3 LYS 10 HG3 LYS 10 1.145 -1.136 -11.256 63 HD2 LYS 10 HD2 LYS 10 -1.095 -2.980 -11.964 64 HD3 LYS 10 HD3 LYS 10 -1.098 -1.332 -12.597 65 HE2 LYS 10 HE2 LYS 10 1.289 -3.141 -12.845 66 HE3 LYS 10 HE3 LYS 10 -0.013 -3.141 -14.034 67 HZ1 LYS 10 HZ1 LYS 10 0.407 -0.862 -14.526 68 HZ2 LYS 10 HZ2 LYS 10 1.884 -1.680 -14.610 69 HZ3 LYS 10 HZ3 LYS 10 1.523 -0.722 -13.263 70 HA PRO 11 HA PRO 11 -0.194 -3.405 -5.058 71 HB2 PRO 11 HB2 PRO 11 -2.871 -2.967 -5.154 72 HB3 PRO 11 HB3 PRO 11 -1.703 -1.694 -4.781 73 HG2 PRO 11 HG2 PRO 11 -3.072 -2.309 -7.372 74 HG3 PRO 11 HG3 PRO 11 -2.777 -0.736 -6.607 75 HD2 PRO 11 HD2 PRO 11 -1.244 -1.685 -8.627 76 HD3 PRO 11 HD3 PRO 11 -0.595 -0.648 -7.340 77 H ASN 12 H ASN 12 -1.979 -4.981 -4.285 78 HA ASN 12 HA ASN 12 -2.812 -7.096 -4.356 79 HB2 ASN 12 HB2 ASN 12 -3.491 -6.119 -7.125 80 HB3 ASN 12 HB3 ASN 12 -3.962 -7.719 -6.561 81 HD21 ASN 12 HD21 ASN 12 -4.295 -4.278 -5.980 82 HD22 ASN 12 HD22 ASN 12 -5.798 -4.377 -5.134 83 H SER 13 H SER 13 -0.022 -6.787 -4.834 84 HA SER 13 HA SER 13 0.470 -9.290 -6.265 85 HB2 SER 13 HB2 SER 13 1.909 -6.686 -6.812 86 HB3 SER 13 HB3 SER 13 2.498 -8.261 -7.345 87 HG SER 13 HG SER 13 0.733 -6.699 -8.539 88 H CYS 14 H CYS 14 1.665 -10.604 -5.066 89 HA CYS 14 HA CYS 14 2.991 -9.573 -2.697 90 HB2 CYS 14 HB2 CYS 14 3.128 -11.826 -1.959 91 HB3 CYS 14 HB3 CYS 14 1.548 -11.661 -2.718 92 H CYS 15 H CYS 15 5.170 -10.547 -2.134 93 HA CYS 15 HA CYS 15 6.960 -10.078 -4.383 94 HB2 CYS 15 HB2 CYS 15 7.712 -10.580 -1.501 95 HB3 CYS 15 HB3 CYS 15 8.703 -9.843 -2.756 96 H VAL 16 H VAL 16 8.007 -11.631 -5.443 97 HA VAL 16 HA VAL 16 8.079 -14.328 -4.253 98 HB VAL 16 HB VAL 16 8.127 -15.144 -6.665 99 HG11 VAL 16 HG11 VAL 16 6.058 -15.732 -6.122 100 HG12 VAL 16 HG12 VAL 16 5.961 -14.404 -4.964 101 HG13 VAL 16 HG13 VAL 16 5.482 -14.148 -6.642 102 HG21 VAL 16 HG21 VAL 16 7.081 -12.357 -7.162 103 HG22 VAL 16 HG22 VAL 16 8.632 -12.991 -7.712 104 HG23 VAL 16 HG23 VAL 16 7.130 -13.670 -8.339 105 H GLN 17 H GLN 17 9.828 -15.723 -5.208 106 HA GLN 17 HA GLN 17 12.252 -14.116 -5.681 107 HB2 GLN 17 HB2 GLN 17 11.722 -16.415 -3.886 108 HB3 GLN 17 HB3 GLN 17 13.274 -16.410 -4.714 109 HG2 GLN 17 HG2 GLN 17 12.499 -13.878 -3.429 110 HG3 GLN 17 HG3 GLN 17 12.829 -15.228 -2.345 111 HE21 GLN 17 HE21 GLN 17 14.166 -13.373 -5.029 112 HE22 GLN 17 HE22 GLN 17 15.823 -13.596 -4.595 113 H ASN 18 H ASN 18 13.566 -14.662 -7.348 114 HA ASN 18 HA ASN 18 12.915 -17.093 -8.868 115 HB2 ASN 18 HB2 ASN 18 13.703 -14.555 -10.267 116 HB3 ASN 18 HB3 ASN 18 12.874 -15.966 -10.918 117 HD21 ASN 18 HD21 ASN 18 10.667 -16.307 -10.318 118 HD22 ASN 18 HD22 ASN 18 9.671 -14.963 -9.885 119 H SER 19 H SER 19 15.036 -16.511 -6.938 120 HA SER 19 HA SER 19 17.484 -15.975 -8.217 121 HB2 SER 19 HB2 SER 19 18.534 -16.738 -6.217 122 HB3 SER 19 HB3 SER 19 17.022 -15.980 -5.718 123 HG SER 19 HG SER 19 16.969 -17.862 -4.667 124 H HIS 20 H HIS 20 19.072 -17.308 -9.047 125 HA HIS 20 HA HIS 20 18.317 -20.119 -9.497 126 HB2 HIS 20 HB2 HIS 20 19.216 -18.049 -11.457 127 HB3 HIS 20 HB3 HIS 20 19.694 -19.725 -11.718 128 HD1 HIS 20 HD1 HIS 20 16.876 -17.407 -12.102 129 HD2 HIS 20 HD2 HIS 20 17.462 -21.520 -12.096 130 HE1 HIS 20 HE1 HIS 20 14.794 -18.384 -13.118 131 H GLY 21 H GLY 21 20.105 -18.792 -7.522 132 HA2 GLY 21 HA2 GLY 21 22.072 -19.395 -6.482 133 HA3 GLY 21 HA3 GLY 21 22.272 -20.640 -7.707 134 H LYS 22 H LYS 22 21.935 -17.192 -8.332 135 HA LYS 22 HA LYS 22 24.466 -17.233 -9.762 136 HB2 LYS 22 HB2 LYS 22 22.422 -16.190 -10.746 137 HB3 LYS 22 HB3 LYS 22 22.474 -14.977 -9.473 138 HG2 LYS 22 HG2 LYS 22 24.275 -13.904 -10.374 139 HG3 LYS 22 HG3 LYS 22 24.901 -15.366 -11.141 140 HD2 LYS 22 HD2 LYS 22 24.127 -14.033 -12.915 141 HD3 LYS 22 HD3 LYS 22 22.862 -15.239 -12.666 142 HE2 LYS 22 HE2 LYS 22 21.718 -13.205 -12.908 143 HE3 LYS 22 HE3 LYS 22 21.738 -13.511 -11.171 144 HZ1 LYS 22 HZ1 LYS 22 24.011 -12.010 -12.057 145 HZ2 LYS 22 HZ2 LYS 22 22.919 -11.677 -10.808 146 HZ3 LYS 22 HZ3 LYS 22 22.551 -11.223 -12.396 147 H GLY 23 H GLY 23 23.135 -16.050 -6.787 148 HA2 GLY 23 HA2 GLY 23 24.663 -15.576 -4.972 149 HA3 GLY 23 HA3 GLY 23 25.766 -14.878 -6.149 150 H LYS 24 H LYS 24 22.919 -13.803 -7.190 151 HA LYS 24 HA LYS 24 22.907 -11.462 -5.400 152 HB2 LYS 24 HB2 LYS 24 22.908 -11.596 -8.397 153 HB3 LYS 24 HB3 LYS 24 22.166 -10.229 -7.576 154 HG2 LYS 24 HG2 LYS 24 24.272 -9.716 -6.481 155 HG3 LYS 24 HG3 LYS 24 25.025 -11.119 -7.244 156 HD2 LYS 24 HD2 LYS 24 25.652 -9.227 -8.532 157 HD3 LYS 24 HD3 LYS 24 24.426 -10.087 -9.466 158 HE2 LYS 24 HE2 LYS 24 22.764 -8.505 -8.931 159 HE3 LYS 24 HE3 LYS 24 23.737 -7.803 -7.638 160 HZ1 LYS 24 HZ1 LYS 24 24.102 -7.528 -10.559 161 HZ2 LYS 24 HZ2 LYS 24 25.350 -7.178 -9.474 162 HZ3 LYS 24 HZ3 LYS 24 23.901 -6.308 -9.404 163 H ASP 25 H ASP 25 21.126 -12.129 -4.227 164 HA ASP 25 HA ASP 25 18.769 -13.213 -5.260 165 HB2 ASP 25 HB2 ASP 25 19.677 -12.749 -2.766 166 HB3 ASP 25 HB3 ASP 25 18.523 -11.426 -2.906 167 H SER 26 H SER 26 17.356 -12.364 -6.621 168 HA SER 26 HA SER 26 16.679 -9.519 -6.386 169 HB2 SER 26 HB2 SER 26 16.598 -9.433 -8.926 170 HB3 SER 26 HB3 SER 26 18.210 -9.510 -8.214 171 HG SER 26 HG SER 26 16.865 -11.358 -9.765 172 HA PRO 27 HA PRO 27 12.867 -12.082 -6.454 173 HB2 PRO 27 HB2 PRO 27 11.519 -10.490 -4.716 174 HB3 PRO 27 HB3 PRO 27 12.623 -11.767 -4.191 175 HG2 PRO 27 HG2 PRO 27 13.105 -8.821 -4.417 176 HG3 PRO 27 HG3 PRO 27 13.582 -9.937 -3.125 177 HD2 PRO 27 HD2 PRO 27 15.305 -9.106 -5.040 178 HD3 PRO 27 HD3 PRO 27 15.408 -10.714 -4.298 179 H ARG 28 H ARG 28 10.663 -11.486 -7.077 180 HA ARG 28 HA ARG 28 10.464 -8.887 -8.432 181 HB2 ARG 28 HB2 ARG 28 9.947 -11.611 -9.604 182 HB3 ARG 28 HB3 ARG 28 9.208 -10.162 -10.273 183 HG2 ARG 28 HG2 ARG 28 11.522 -9.224 -10.529 184 HG3 ARG 28 HG3 ARG 28 12.135 -10.821 -10.098 185 HD2 ARG 28 HD2 ARG 28 10.723 -11.731 -11.987 186 HD3 ARG 28 HD3 ARG 28 10.460 -10.059 -12.480 187 HE ARG 28 HE ARG 28 12.867 -11.610 -12.801 188 HH11 ARG 28 HH11 ARG 28 11.499 -8.413 -12.634 189 HH12 ARG 28 HH12 ARG 28 12.793 -7.672 -13.517 190 HH21 ARG 28 HH21 ARG 28 14.576 -10.646 -13.964 191 HH22 ARG 28 HH22 ARG 28 14.542 -8.944 -14.274 192 H CYS 29 H CYS 29 8.099 -8.595 -9.243 193 HA CYS 29 HA CYS 29 6.350 -9.281 -6.985 194 HB2 CYS 29 HB2 CYS 29 4.966 -7.366 -7.741 195 HB3 CYS 29 HB3 CYS 29 6.614 -6.895 -7.335 196 H HIS 30 H HIS 30 4.584 -10.504 -7.258 197 HA HIS 30 HA HIS 30 3.740 -11.121 -10.011 198 HB2 HIS 30 HB2 HIS 30 4.772 -12.904 -8.037 199 HB3 HIS 30 HB3 HIS 30 3.074 -13.294 -8.296 200 HD1 HIS 30 HD1 HIS 30 5.725 -12.249 -10.819 201 HD2 HIS 30 HD2 HIS 30 3.140 -15.396 -10.000 202 HE1 HIS 30 HE1 HIS 30 5.986 -13.851 -12.740 203 HA PRO 31 HA PRO 31 -0.314 -9.941 -8.799 204 HB2 PRO 31 HB2 PRO 31 -1.788 -11.464 -10.495 205 HB3 PRO 31 HB3 PRO 31 -0.867 -10.052 -11.026 206 HG2 PRO 31 HG2 PRO 31 -0.150 -12.954 -11.193 207 HG3 PRO 31 HG3 PRO 31 0.053 -11.680 -12.410 208 HD2 PRO 31 HD2 PRO 31 2.093 -12.545 -10.853 209 HD3 PRO 31 HD3 PRO 31 1.971 -10.867 -11.423 210 H LEU 32 H LEU 32 -1.958 -10.564 -7.452 211 HA LEU 32 HA LEU 32 -1.630 -12.733 -5.761 212 HB2 LEU 32 HB2 LEU 32 -4.007 -11.037 -6.434 213 HB3 LEU 32 HB3 LEU 32 -4.130 -12.359 -5.276 214 HG LEU 32 HG LEU 32 -2.188 -10.075 -4.980 215 HD11 LEU 32 HD11 LEU 32 -3.958 -9.499 -3.121 216 HD12 LEU 32 HD12 LEU 32 -5.058 -10.309 -4.237 217 HD13 LEU 32 HD13 LEU 32 -4.137 -8.903 -4.770 218 HD21 LEU 32 HD21 LEU 32 -3.264 -11.963 -2.900 219 HD22 LEU 32 HD22 LEU 32 -1.908 -10.843 -2.760 220 HD23 LEU 32 HD23 LEU 32 -1.775 -12.265 -3.795 221 H GLY 33 H GLY 33 -2.693 -14.733 -5.543 222 HA2 GLY 33 HA2 GLY 33 -3.086 -16.144 -7.971 223 HA3 GLY 33 HA3 GLY 33 -3.407 -16.759 -6.358 224 H LYS 34 H LYS 34 -4.982 -17.273 -8.669 225 HA LYS 34 HA LYS 34 -7.435 -15.749 -8.120 226 HB2 LYS 34 HB2 LYS 34 -8.229 -16.447 -10.283 227 HB3 LYS 34 HB3 LYS 34 -6.604 -15.799 -10.469 228 HG2 LYS 34 HG2 LYS 34 -5.683 -18.011 -10.643 229 HG3 LYS 34 HG3 LYS 34 -7.252 -18.733 -10.281 230 HD2 LYS 34 HD2 LYS 34 -7.184 -18.899 -12.582 231 HD3 LYS 34 HD3 LYS 34 -8.043 -17.372 -12.364 232 HE2 LYS 34 HE2 LYS 34 -6.001 -16.131 -12.744 233 HE3 LYS 34 HE3 LYS 34 -5.075 -17.628 -12.843 234 HZ1 LYS 34 HZ1 LYS 34 -5.750 -18.008 -14.935 235 HZ2 LYS 34 HZ2 LYS 34 -6.051 -16.344 -14.963 236 HZ3 LYS 34 HZ3 LYS 34 -7.316 -17.427 -14.671 237 H LEU 35 H LEU 35 -9.354 -17.453 -9.008 238 HA LEU 35 HA LEU 35 -9.614 -19.252 -6.808 239 HB2 LEU 35 HB2 LEU 35 -11.598 -18.240 -7.553 240 HB3 LEU 35 HB3 LEU 35 -11.279 -18.662 -9.233 241 HG LEU 35 HG LEU 35 -11.682 -21.048 -8.645 242 HD11 LEU 35 HD11 LEU 35 -12.294 -21.755 -6.572 243 HD12 LEU 35 HD12 LEU 35 -13.006 -20.204 -6.128 244 HD13 LEU 35 HD13 LEU 35 -11.254 -20.406 -6.111 245 HD21 LEU 35 HD21 LEU 35 -13.426 -19.319 -9.475 246 HD22 LEU 35 HD22 LEU 35 -14.081 -19.452 -7.843 247 HD23 LEU 35 HD23 LEU 35 -13.978 -20.882 -8.871 248 H ASN 36 H ASN 36 -9.767 -21.515 -6.844 249 HA ASN 36 HA ASN 36 -9.014 -23.598 -7.375 250 HB2 ASN 36 HB2 ASN 36 -9.778 -22.687 -10.160 251 HB3 ASN 36 HB3 ASN 36 -9.491 -24.358 -9.679 252 HD21 ASN 36 HD21 ASN 36 -11.887 -23.037 -10.752 253 HD22 ASN 36 HD22 ASN 36 -13.143 -23.351 -9.606 254 H ASN 37 H ASN 37 -7.045 -21.490 -7.286 255 HA ASN 37 HA ASN 37 -5.071 -22.553 -9.199 256 HB2 ASN 37 HB2 ASN 37 -5.821 -19.835 -8.572 257 HB3 ASN 37 HB3 ASN 37 -4.115 -20.098 -8.219 258 HD21 ASN 37 HD21 ASN 37 -6.417 -21.096 -10.734 259 HD22 ASN 37 HD22 ASN 37 -5.397 -20.683 -12.066 260 HA PRO 38 HA PRO 38 -2.508 -23.848 -5.882 261 HB2 PRO 38 HB2 PRO 38 -0.024 -23.261 -6.808 262 HB3 PRO 38 HB3 PRO 38 -1.005 -24.580 -7.459 263 HG2 PRO 38 HG2 PRO 38 -0.589 -21.817 -8.535 264 HG3 PRO 38 HG3 PRO 38 -0.618 -23.364 -9.403 265 HD2 PRO 38 HD2 PRO 38 -2.739 -21.682 -9.354 266 HD3 PRO 38 HD3 PRO 38 -2.921 -23.446 -9.437 267 H CYS 39 H CYS 39 -2.467 -22.827 -3.983 268 HA CYS 39 HA CYS 39 -0.992 -20.291 -3.790 269 HB2 CYS 39 HB2 CYS 39 -2.639 -19.334 -2.345 270 HB3 CYS 39 HB3 CYS 39 -3.485 -19.930 -3.769 271 H GLU 40 H GLU 40 -0.543 -19.765 -1.404 272 HA GLU 40 HA GLU 40 0.002 -22.231 0.105 273 HB2 GLU 40 HB2 GLU 40 2.096 -21.668 -0.901 274 HB3 GLU 40 HB3 GLU 40 1.913 -19.971 -0.478 275 HG2 GLU 40 HG2 GLU 40 2.242 -20.435 1.836 276 HG3 GLU 40 HG3 GLU 40 2.178 -22.173 1.551 277 H VAL 41 H VAL 41 -0.046 -22.054 2.344 278 HA VAL 41 HA VAL 41 -1.867 -20.319 3.481 279 HB VAL 41 HB VAL 41 0.442 -21.634 4.919 280 HG11 VAL 41 HG11 VAL 41 -0.391 -20.763 6.781 281 HG12 VAL 41 HG12 VAL 41 -1.596 -19.892 5.830 282 HG13 VAL 41 HG13 VAL 41 -1.955 -21.506 6.447 283 HG21 VAL 41 HG21 VAL 41 -2.235 -22.666 4.040 284 HG22 VAL 41 HG22 VAL 41 -0.641 -23.388 3.815 285 HG23 VAL 41 HG23 VAL 41 -1.384 -23.371 5.415 286 H GLU 42 H GLU 42 1.641 -20.193 4.129 287 HA GLU 42 HA GLU 42 1.515 -17.270 4.025 288 HB2 GLU 42 HB2 GLU 42 2.443 -18.910 6.374 289 HB3 GLU 42 HB3 GLU 42 2.983 -17.256 6.125 290 HG2 GLU 42 HG2 GLU 42 0.523 -16.629 6.042 291 HG3 GLU 42 HG3 GLU 42 0.207 -18.244 6.675 292 HA PRO 43 HA PRO 43 5.388 -17.551 1.982 293 HB2 PRO 43 HB2 PRO 43 6.613 -15.273 2.809 294 HB3 PRO 43 HB3 PRO 43 5.262 -15.279 1.668 295 HG2 PRO 43 HG2 PRO 43 5.252 -14.740 4.613 296 HG3 PRO 43 HG3 PRO 43 4.395 -13.886 3.317 297 HD2 PRO 43 HD2 PRO 43 3.184 -15.712 4.908 298 HD3 PRO 43 HD3 PRO 43 2.721 -15.466 3.211 299 H ASN 44 H ASN 44 7.874 -16.889 2.592 300 HA ASN 44 HA ASN 44 8.633 -18.836 4.547 301 HB2 ASN 44 HB2 ASN 44 10.581 -16.879 3.389 302 HB3 ASN 44 HB3 ASN 44 10.797 -18.590 3.748 303 HD21 ASN 44 HD21 ASN 44 11.227 -16.925 1.299 304 HD22 ASN 44 HD22 ASN 44 10.381 -17.763 0.049 305 H GLU 45 H GLU 45 10.831 -17.824 5.795 306 HA GLU 45 HA GLU 45 9.693 -16.417 7.972 307 HB2 GLU 45 HB2 GLU 45 11.857 -16.498 8.969 308 HB3 GLU 45 HB3 GLU 45 11.638 -18.008 8.094 309 HG2 GLU 45 HG2 GLU 45 12.981 -17.132 6.249 310 HG3 GLU 45 HG3 GLU 45 13.208 -15.625 7.135 311 H ASN 46 H ASN 46 10.968 -15.376 5.003 312 HA ASN 46 HA ASN 46 11.568 -12.693 6.010 313 HB2 ASN 46 HB2 ASN 46 12.008 -13.934 3.284 314 HB3 ASN 46 HB3 ASN 46 12.448 -12.285 3.719 315 HD21 ASN 46 HD21 ASN 46 13.896 -14.912 3.002 316 HD22 ASN 46 HD22 ASN 46 15.167 -14.984 4.169 317 H GLY 47 H GLY 47 9.247 -14.466 4.120 318 HA2 GLY 47 HA2 GLY 47 7.001 -13.648 3.913 319 HA3 GLY 47 HA3 GLY 47 7.639 -12.011 3.910 320 H ILE 48 H ILE 48 8.997 -14.623 2.008 321 HA ILE 48 HA ILE 48 8.000 -13.283 -0.421 322 HB ILE 48 HB ILE 48 10.621 -14.750 -0.102 323 HG12 ILE 48 HG12 ILE 48 10.118 -11.790 -0.470 324 HG13 ILE 48 HG13 ILE 48 10.512 -12.547 1.069 325 HG21 ILE 48 HG21 ILE 48 10.417 -14.986 -2.318 326 HG22 ILE 48 HG22 ILE 48 9.101 -13.816 -2.415 327 HG23 ILE 48 HG23 ILE 48 10.775 -13.261 -2.391 328 HD11 ILE 48 HD11 ILE 48 12.408 -13.215 -1.026 329 HD12 ILE 48 HD12 ILE 48 12.298 -11.481 -0.716 330 HD13 ILE 48 HD13 ILE 48 12.682 -12.590 0.600 331 H TYR 49 H TYR 49 7.317 -14.553 -2.133 332 HA TYR 49 HA TYR 49 6.756 -17.349 -1.435 333 HB2 TYR 49 HB2 TYR 49 5.432 -15.398 -3.309 334 HB3 TYR 49 HB3 TYR 49 5.122 -17.128 -3.413 335 HD1 TYR 49 HD1 TYR 49 4.850 -14.176 -1.197 336 HD2 TYR 49 HD2 TYR 49 3.650 -18.198 -1.897 337 HE1 TYR 49 HE1 TYR 49 3.148 -13.969 0.567 338 HE2 TYR 49 HE2 TYR 49 1.946 -18.002 -0.135 339 HH TYR 49 HH TYR 49 1.452 -14.951 1.613 340 H SER 50 H SER 50 6.366 -18.591 -3.727 341 HA SER 50 HA SER 50 9.021 -18.587 -4.950 342 HB2 SER 50 HB2 SER 50 6.916 -20.609 -4.496 343 HB3 SER 50 HB3 SER 50 7.773 -20.749 -6.031 344 HG SER 50 HG SER 50 9.175 -20.421 -3.606 345 H GLN 51 H GLN 51 5.884 -19.478 -6.345 346 HA GLN 51 HA GLN 51 6.430 -17.616 -8.561 347 HB2 GLN 51 HB2 GLN 51 5.647 -20.486 -8.587 348 HB3 GLN 51 HB3 GLN 51 4.951 -19.444 -9.820 349 HG2 GLN 51 HG2 GLN 51 7.903 -19.523 -9.322 350 HG3 GLN 51 HG3 GLN 51 7.107 -20.694 -10.373 351 HE21 GLN 51 HE21 GLN 51 5.571 -19.603 -11.996 352 HE22 GLN 51 HE22 GLN 51 6.220 -18.236 -12.828 353 H HIS 52 H HIS 52 3.776 -19.583 -7.210 354 HA HIS 52 HA HIS 52 1.785 -17.722 -8.101 355 HB2 HIS 52 HB2 HIS 52 0.227 -19.181 -6.784 356 HB3 HIS 52 HB3 HIS 52 1.180 -20.045 -7.987 357 HD1 HIS 52 HD1 HIS 52 0.825 -19.597 -4.278 358 HD2 HIS 52 HD2 HIS 52 2.927 -21.952 -6.978 359 HE1 HIS 52 HE1 HIS 52 1.874 -21.421 -2.902 360 H CYS 53 H CYS 53 0.254 -16.648 -6.661 361 HA CYS 53 HA CYS 53 1.580 -15.691 -4.212 362 HB2 CYS 53 HB2 CYS 53 -0.095 -14.325 -6.274 363 HB3 CYS 53 HB3 CYS 53 -0.153 -13.735 -4.617 364 HA PRO 54 HA PRO 54 -1.729 -17.085 -1.694 365 HB2 PRO 54 HB2 PRO 54 -1.991 -15.062 0.097 366 HB3 PRO 54 HB3 PRO 54 -0.620 -16.178 0.101 367 HG2 PRO 54 HG2 PRO 54 -0.805 -13.407 -1.018 368 HG3 PRO 54 HG3 PRO 54 0.506 -14.151 -0.085 369 HD2 PRO 54 HD2 PRO 54 0.601 -13.893 -2.779 370 HD3 PRO 54 HD3 PRO 54 1.361 -15.250 -1.921 371 H CYS 55 H CYS 55 -3.917 -16.557 -0.869 372 HA CYS 55 HA CYS 55 -5.517 -15.418 -2.914 373 HB2 CYS 55 HB2 CYS 55 -6.200 -16.281 -0.098 374 HB3 CYS 55 HB3 CYS 55 -7.394 -15.787 -1.293 375 H GLY 56 H GLY 56 -6.067 -13.368 -3.246 376 HA2 GLY 56 HA2 GLY 56 -6.356 -11.552 -0.979 377 HA3 GLY 56 HA3 GLY 56 -5.133 -11.134 -2.170 378 H GLU 57 H GLU 57 -7.894 -12.763 -3.372 379 HA GLU 57 HA GLU 57 -9.063 -10.205 -4.246 380 HB2 GLU 57 HB2 GLU 57 -9.471 -11.101 -6.437 381 HB3 GLU 57 HB3 GLU 57 -7.769 -11.327 -6.062 382 HG2 GLU 57 HG2 GLU 57 -8.105 -13.647 -5.609 383 HG3 GLU 57 HG3 GLU 57 -9.854 -13.467 -5.735 384 H GLY 58 H GLY 58 -9.782 -11.991 -2.028 385 HA2 GLY 58 HA2 GLY 58 -11.957 -12.270 -1.136 386 HA3 GLY 58 HA3 GLY 58 -12.590 -12.355 -2.773 387 H LEU 59 H LEU 59 -9.782 -14.213 -2.065 388 HA LEU 59 HA LEU 59 -11.426 -16.653 -2.113 389 HB2 LEU 59 HB2 LEU 59 -8.522 -16.330 -2.852 390 HB3 LEU 59 HB3 LEU 59 -9.490 -17.793 -3.020 391 HG LEU 59 HG LEU 59 -10.340 -15.330 -4.472 392 HD11 LEU 59 HD11 LEU 59 -8.213 -17.199 -5.501 393 HD12 LEU 59 HD12 LEU 59 -7.894 -15.586 -4.864 394 HD13 LEU 59 HD13 LEU 59 -8.881 -15.783 -6.312 395 HD21 LEU 59 HD21 LEU 59 -11.228 -16.909 -6.032 396 HD22 LEU 59 HD22 LEU 59 -11.696 -17.424 -4.411 397 HD23 LEU 59 HD23 LEU 59 -10.376 -18.241 -5.252 398 H SER 60 H SER 60 -9.990 -18.572 -1.148 399 HA SER 60 HA SER 60 -8.566 -17.799 1.254 400 HB2 SER 60 HB2 SER 60 -11.210 -17.974 1.600 401 HB3 SER 60 HB3 SER 60 -10.816 -19.686 1.750 402 HG SER 60 HG SER 60 -10.618 -17.886 3.613 403 H CYS 61 H CYS 61 -6.873 -19.098 1.377 404 HA CYS 61 HA CYS 61 -6.426 -21.318 -0.226 405 HB2 CYS 61 HB2 CYS 61 -5.115 -20.070 2.082 406 HB3 CYS 61 HB3 CYS 61 -4.815 -21.799 1.949 407 H THR 62 H THR 62 -7.665 -23.080 -0.258 408 HA THR 62 HA THR 62 -8.268 -24.393 2.310 409 HB THR 62 HB THR 62 -10.302 -23.381 1.268 410 HG1 THR 62 HG1 THR 62 -10.632 -25.150 2.591 411 HG21 THR 62 HG21 THR 62 -9.815 -25.447 -0.882 412 HG22 THR 62 HG22 THR 62 -9.671 -23.701 -1.085 413 HG23 THR 62 HG23 THR 62 -11.241 -24.421 -0.732 414 H LYS 63 H LYS 63 -7.848 -26.534 2.451 415 HA LYS 63 HA LYS 63 -6.150 -27.741 0.541 416 HB2 LYS 63 HB2 LYS 63 -5.943 -28.386 2.835 417 HB3 LYS 63 HB3 LYS 63 -7.636 -28.853 2.920 418 HG2 LYS 63 HG2 LYS 63 -7.262 -30.752 1.531 419 HG3 LYS 63 HG3 LYS 63 -5.619 -30.224 1.160 420 HD2 LYS 63 HD2 LYS 63 -6.343 -30.630 4.014 421 HD3 LYS 63 HD3 LYS 63 -6.118 -32.061 3.006 422 HE2 LYS 63 HE2 LYS 63 -3.983 -31.742 3.786 423 HE3 LYS 63 HE3 LYS 63 -3.924 -30.826 2.281 424 HZ1 LYS 63 HZ1 LYS 63 -3.358 -29.900 4.815 425 HZ2 LYS 63 HZ2 LYS 63 -4.841 -29.195 4.410 426 HZ3 LYS 63 HZ3 LYS 63 -3.499 -28.980 3.404 427 H VAL 64 H VAL 64 -6.608 -28.822 -1.256 428 HA VAL 64 HA VAL 64 -9.362 -29.807 -1.631 429 HB VAL 64 HB VAL 64 -8.981 -29.533 -4.070 430 HG11 VAL 64 HG11 VAL 64 -8.923 -27.210 -2.195 431 HG12 VAL 64 HG12 VAL 64 -8.889 -26.931 -3.937 432 HG13 VAL 64 HG13 VAL 64 -10.239 -27.802 -3.208 433 HG21 VAL 64 HG21 VAL 64 -6.457 -29.604 -3.829 434 HG22 VAL 64 HG22 VAL 64 -7.103 -28.398 -4.941 435 HG23 VAL 64 HG23 VAL 64 -6.555 -27.913 -3.336 436 H GLY 65 H GLY 65 -6.013 -30.586 -1.621 437 HA2 GLY 65 HA2 GLY 65 -6.684 -33.379 -2.185 438 HA3 GLY 65 HA3 GLY 65 -5.467 -32.621 -3.203 439 H GLU 66 H GLU 66 -4.082 -34.348 -2.373 440 HA GLU 66 HA GLU 66 -2.878 -33.565 0.195 441 HB2 GLU 66 HB2 GLU 66 -2.301 -36.143 0.278 442 HB3 GLU 66 HB3 GLU 66 -3.826 -35.529 0.901 443 HG2 GLU 66 HG2 GLU 66 -5.013 -36.258 -0.994 444 HG3 GLU 66 HG3 GLU 66 -3.532 -36.547 -1.906 445 HA PRO 67 HA PRO 67 -1.178 -34.951 1.341 446 HB2 PRO 67 HB2 PRO 67 1.081 -33.733 2.229 447 HB3 PRO 67 HB3 PRO 67 1.063 -35.386 1.604 448 HG2 PRO 67 HG2 PRO 67 1.851 -32.848 0.226 449 HG3 PRO 67 HG3 PRO 67 2.644 -34.433 0.189 450 HD2 PRO 67 HD2 PRO 67 1.040 -33.558 -1.810 451 HD3 PRO 67 HD3 PRO 67 1.169 -35.274 -1.371 452 H ASN 68 H ASN 68 0.173 -31.864 0.161 453 HA ASN 68 HA ASN 68 -1.833 -30.466 1.803 454 HB2 ASN 68 HB2 ASN 68 0.659 -30.399 2.588 455 HB3 ASN 68 HB3 ASN 68 0.859 -29.254 1.265 456 HD21 ASN 68 HD21 ASN 68 0.531 -27.205 1.722 457 HD22 ASN 68 HD22 ASN 68 -0.372 -26.594 3.061 458 H LYS 69 H LYS 69 -2.390 -31.108 -0.780 459 HA LYS 69 HA LYS 69 -1.627 -29.069 -2.627 460 HB2 LYS 69 HB2 LYS 69 -2.298 -31.301 -3.382 461 HB3 LYS 69 HB3 LYS 69 -3.911 -31.048 -2.728 462 HG2 LYS 69 HG2 LYS 69 -4.545 -29.691 -4.433 463 HG3 LYS 69 HG3 LYS 69 -2.914 -29.069 -4.694 464 HD2 LYS 69 HD2 LYS 69 -3.505 -30.417 -6.581 465 HD3 LYS 69 HD3 LYS 69 -2.295 -31.293 -5.642 466 HE2 LYS 69 HE2 LYS 69 -5.147 -31.800 -5.007 467 HE3 LYS 69 HE3 LYS 69 -4.534 -32.436 -6.533 468 HZ1 LYS 69 HZ1 LYS 69 -3.634 -33.066 -3.788 469 HZ2 LYS 69 HZ2 LYS 69 -2.662 -33.394 -5.134 470 HZ3 LYS 69 HZ3 LYS 69 -4.179 -34.128 -4.988 471 H LEU 70 H LEU 70 -2.125 -27.205 -1.268 472 HA LEU 70 HA LEU 70 -4.883 -26.613 -0.685 473 HB2 LEU 70 HB2 LEU 70 -2.262 -25.416 -0.144 474 HB3 LEU 70 HB3 LEU 70 -3.555 -24.246 -0.397 475 HG LEU 70 HG LEU 70 -4.826 -25.222 1.432 476 HD11 LEU 70 HD11 LEU 70 -3.789 -26.951 2.861 477 HD12 LEU 70 HD12 LEU 70 -2.505 -27.132 1.666 478 HD13 LEU 70 HD13 LEU 70 -4.169 -27.531 1.239 479 HD21 LEU 70 HD21 LEU 70 -3.736 -23.847 2.789 480 HD22 LEU 70 HD22 LEU 70 -2.386 -23.827 1.654 481 HD23 LEU 70 HD23 LEU 70 -2.421 -25.010 2.962 482 H ARG 71 H ARG 71 -6.219 -25.176 -1.717 483 HA ARG 71 HA ARG 71 -5.217 -23.831 -4.118 484 HB2 ARG 71 HB2 ARG 71 -6.516 -26.178 -4.395 485 HB3 ARG 71 HB3 ARG 71 -7.891 -25.081 -4.365 486 HG2 ARG 71 HG2 ARG 71 -7.409 -25.255 -6.618 487 HG3 ARG 71 HG3 ARG 71 -6.593 -23.760 -6.156 488 HD2 ARG 71 HD2 ARG 71 -4.953 -24.818 -7.378 489 HD3 ARG 71 HD3 ARG 71 -4.556 -25.334 -5.739 490 HE ARG 71 HE ARG 71 -6.223 -27.277 -6.676 491 HH11 ARG 71 HH11 ARG 71 -3.237 -25.863 -7.774 492 HH12 ARG 71 HH12 ARG 71 -2.689 -27.307 -8.557 493 HH21 ARG 71 HH21 ARG 71 -5.512 -29.186 -7.703 494 HH22 ARG 71 HH22 ARG 71 -3.984 -29.197 -8.518 495 H CYS 72 H CYS 72 -6.306 -21.951 -4.673 496 HA CYS 72 HA CYS 72 -7.580 -20.572 -2.552 497 HB2 CYS 72 HB2 CYS 72 -6.813 -19.983 -5.345 498 HB3 CYS 72 HB3 CYS 72 -8.152 -19.034 -4.711 499 H GLN 73 H GLN 73 -9.687 -20.174 -2.122 500 HA GLN 73 HA GLN 73 -11.729 -20.950 -4.052 501 HB2 GLN 73 HB2 GLN 73 -11.128 -22.895 -2.457 502 HB3 GLN 73 HB3 GLN 73 -11.957 -21.950 -1.228 503 HG2 GLN 73 HG2 GLN 73 -13.390 -23.657 -2.261 504 HG3 GLN 73 HG3 GLN 73 -14.006 -22.020 -2.477 505 HE21 GLN 73 HE21 GLN 73 -11.460 -23.745 -4.219 506 HE22 GLN 73 HE22 GLN 73 -12.213 -23.653 -5.770 507 H GLU 74 H GLU 74 -13.300 -19.483 -4.113 508 HA GLU 74 HA GLU 74 -13.298 -17.136 -2.665 509 HB2 GLU 74 HB2 GLU 74 -15.528 -18.558 -4.110 510 HB3 GLU 74 HB3 GLU 74 -15.749 -16.976 -3.374 511 HG2 GLU 74 HG2 GLU 74 -13.847 -16.154 -4.773 512 HG3 GLU 74 HG3 GLU 74 -13.873 -17.707 -5.605 513 H GLU 75 H GLU 75 -13.602 -16.770 -0.578 514 HA GLU 75 HA GLU 75 -14.652 -18.673 1.217 515 HB2 GLU 75 HB2 GLU 75 -13.098 -16.558 1.573 516 HB3 GLU 75 HB3 GLU 75 -14.631 -15.775 1.928 517 HG2 GLU 75 HG2 GLU 75 -14.024 -18.347 3.281 518 HG3 GLU 75 HG3 GLU 75 -13.174 -16.897 3.812 519 H SER 76 H SER 76 -16.570 -18.601 2.476 520 HA SER 76 HA SER 76 -18.900 -17.988 0.982 521 HB2 SER 76 HB2 SER 76 -18.829 -18.543 3.948 522 HB3 SER 76 HB3 SER 76 -20.130 -18.886 2.809 523 HG SER 76 HG SER 76 -18.957 -20.538 1.959 Start of MODEL 13 1 H1 SER 1 H SER 1 2.888 1.523 0.582 2 HA SER 1 HA SER 1 1.761 -0.285 -1.336 3 HB2 SER 1 HB2 SER 1 3.998 1.741 -1.525 4 HB3 SER 1 HB3 SER 1 3.421 0.794 -2.896 5 HG SER 1 HG SER 1 2.424 2.877 -2.719 6 H VAL 2 H VAL 2 2.869 -1.872 -2.547 7 HA VAL 2 HA VAL 2 4.650 -3.479 -1.012 8 HB VAL 2 HB VAL 2 3.930 -3.755 -3.933 9 HG11 VAL 2 HG11 VAL 2 4.365 -6.262 -2.839 10 HG12 VAL 2 HG12 VAL 2 5.461 -5.375 -3.899 11 HG13 VAL 2 HG13 VAL 2 5.644 -5.265 -2.148 12 HG21 VAL 2 HG21 VAL 2 1.863 -3.961 -2.999 13 HG22 VAL 2 HG22 VAL 2 2.432 -5.614 -2.769 14 HG23 VAL 2 HG23 VAL 2 2.497 -4.466 -1.433 15 H THR 3 H THR 3 6.806 -3.557 -1.003 16 HA THR 3 HA THR 3 8.294 -2.319 -3.210 17 HB THR 3 HB THR 3 8.860 -1.786 -0.287 18 HG1 THR 3 HG1 THR 3 7.176 -0.486 -0.910 19 HG21 THR 3 HG21 THR 3 10.347 -0.005 -1.697 20 HG22 THR 3 HG22 THR 3 10.419 -1.414 -2.756 21 HG23 THR 3 HG23 THR 3 10.959 -1.540 -1.082 22 H CYS 4 H CYS 4 9.533 -3.871 -4.018 23 HA CYS 4 HA CYS 4 11.115 -5.516 -2.183 24 HB2 CYS 4 HB2 CYS 4 9.151 -6.486 -4.208 25 HB3 CYS 4 HB3 CYS 4 10.637 -7.404 -3.987 26 H GLY 5 H GLY 5 13.000 -6.486 -3.178 27 HA2 GLY 5 HA2 GLY 5 14.871 -6.412 -4.505 28 HA3 GLY 5 HA3 GLY 5 13.791 -6.017 -5.834 29 H GLY 6 H GLY 6 13.654 -3.879 -3.171 30 HA2 GLY 6 HA2 GLY 6 14.787 -1.865 -2.756 31 HA3 GLY 6 HA3 GLY 6 15.701 -2.099 -4.238 32 H LYS 7 H LYS 7 12.895 -2.713 -5.454 33 HA LYS 7 HA LYS 7 12.208 0.114 -5.916 34 HB2 LYS 7 HB2 LYS 7 11.252 -0.778 -8.109 35 HB3 LYS 7 HB3 LYS 7 13.004 -0.737 -7.963 36 HG2 LYS 7 HG2 LYS 7 12.944 -3.147 -7.346 37 HG3 LYS 7 HG3 LYS 7 11.213 -3.141 -7.693 38 HD2 LYS 7 HD2 LYS 7 12.895 -2.013 -9.820 39 HD3 LYS 7 HD3 LYS 7 13.161 -3.729 -9.503 40 HE2 LYS 7 HE2 LYS 7 10.343 -2.909 -9.621 41 HE3 LYS 7 HE3 LYS 7 11.229 -2.739 -11.136 42 HZ1 LYS 7 HZ1 LYS 7 11.284 -4.933 -11.419 43 HZ2 LYS 7 HZ2 LYS 7 10.099 -5.026 -10.215 44 HZ3 LYS 7 HZ3 LYS 7 11.730 -5.235 -9.814 45 H GLN 8 H GLN 8 9.914 0.498 -6.525 46 HA GLN 8 HA GLN 8 8.178 -1.035 -4.748 47 HB2 GLN 8 HB2 GLN 8 8.114 1.698 -5.925 48 HB3 GLN 8 HB3 GLN 8 6.575 0.935 -5.551 49 HG2 GLN 8 HG2 GLN 8 6.935 0.982 -3.300 50 HG3 GLN 8 HG3 GLN 8 8.689 0.927 -3.467 51 HE21 GLN 8 HE21 GLN 8 9.272 2.663 -2.306 52 HE22 GLN 8 HE22 GLN 8 8.785 4.284 -2.650 53 H CYS 9 H CYS 9 6.067 -1.722 -5.431 54 HA CYS 9 HA CYS 9 5.775 -2.083 -8.335 55 HB2 CYS 9 HB2 CYS 9 5.875 -4.166 -6.208 56 HB3 CYS 9 HB3 CYS 9 4.727 -4.397 -7.523 57 H LYS 10 H LYS 10 3.477 -3.129 -8.724 58 HA LYS 10 HA LYS 10 1.590 -1.237 -7.642 59 HB2 LYS 10 HB2 LYS 10 1.725 -3.060 -9.910 60 HB3 LYS 10 HB3 LYS 10 0.150 -3.088 -9.130 61 HG2 LYS 10 HG2 LYS 10 0.287 -0.514 -9.276 62 HG3 LYS 10 HG3 LYS 10 1.546 -0.814 -10.476 63 HD2 LYS 10 HD2 LYS 10 -1.171 -2.096 -10.632 64 HD3 LYS 10 HD3 LYS 10 -0.827 -0.520 -11.348 65 HE2 LYS 10 HE2 LYS 10 -0.362 -1.820 -13.151 66 HE3 LYS 10 HE3 LYS 10 1.219 -1.881 -12.373 67 HZ1 LYS 10 HZ1 LYS 10 0.887 -4.019 -11.658 68 HZ2 LYS 10 HZ2 LYS 10 0.066 -4.056 -13.137 69 HZ3 LYS 10 HZ3 LYS 10 -0.802 -3.905 -11.693 70 HA PRO 11 HA PRO 11 -0.296 -3.660 -4.508 71 HB2 PRO 11 HB2 PRO 11 -2.929 -3.079 -4.820 72 HB3 PRO 11 HB3 PRO 11 -1.760 -1.921 -4.174 73 HG2 PRO 11 HG2 PRO 11 -2.868 -2.148 -6.946 74 HG3 PRO 11 HG3 PRO 11 -2.597 -0.697 -5.966 75 HD2 PRO 11 HD2 PRO 11 -0.893 -1.471 -7.922 76 HD3 PRO 11 HD3 PRO 11 -0.345 -0.631 -6.457 77 H ASN 12 H ASN 12 -1.923 -5.370 -4.066 78 HA ASN 12 HA ASN 12 -2.866 -7.395 -4.493 79 HB2 ASN 12 HB2 ASN 12 -3.267 -6.481 -7.341 80 HB3 ASN 12 HB3 ASN 12 -4.222 -7.648 -6.431 81 HD21 ASN 12 HD21 ASN 12 -3.933 -4.451 -7.399 82 HD22 ASN 12 HD22 ASN 12 -5.157 -3.766 -6.390 83 H SER 13 H SER 13 0.002 -6.878 -4.982 84 HA SER 13 HA SER 13 0.539 -9.308 -6.517 85 HB2 SER 13 HB2 SER 13 2.173 -8.330 -7.912 86 HB3 SER 13 HB3 SER 13 0.826 -7.192 -7.954 87 HG SER 13 HG SER 13 2.446 -5.875 -7.495 88 H CYS 14 H CYS 14 1.692 -10.615 -5.280 89 HA CYS 14 HA CYS 14 3.174 -9.559 -3.016 90 HB2 CYS 14 HB2 CYS 14 3.276 -11.791 -2.214 91 HB3 CYS 14 HB3 CYS 14 1.665 -11.598 -2.897 92 H CYS 15 H CYS 15 5.347 -10.588 -2.540 93 HA CYS 15 HA CYS 15 7.024 -10.257 -4.901 94 HB2 CYS 15 HB2 CYS 15 7.916 -10.663 -2.044 95 HB3 CYS 15 HB3 CYS 15 8.862 -10.016 -3.380 96 H VAL 16 H VAL 16 7.885 -11.899 -5.981 97 HA VAL 16 HA VAL 16 7.923 -14.551 -4.695 98 HB VAL 16 HB VAL 16 7.900 -15.438 -7.073 99 HG11 VAL 16 HG11 VAL 16 5.869 -14.835 -5.345 100 HG12 VAL 16 HG12 VAL 16 5.336 -14.054 -6.835 101 HG13 VAL 16 HG13 VAL 16 5.701 -15.780 -6.823 102 HG21 VAL 16 HG21 VAL 16 7.538 -14.096 -8.871 103 HG22 VAL 16 HG22 VAL 16 6.629 -12.905 -7.941 104 HG23 VAL 16 HG23 VAL 16 8.390 -12.936 -7.851 105 H GLN 17 H GLN 17 9.661 -15.985 -5.283 106 HA GLN 17 HA GLN 17 12.098 -14.546 -6.107 107 HB2 GLN 17 HB2 GLN 17 11.544 -16.296 -3.817 108 HB3 GLN 17 HB3 GLN 17 13.009 -16.714 -4.694 109 HG2 GLN 17 HG2 GLN 17 12.572 -13.866 -3.987 110 HG3 GLN 17 HG3 GLN 17 13.016 -14.988 -2.702 111 HE21 GLN 17 HE21 GLN 17 14.652 -12.901 -3.381 112 HE22 GLN 17 HE22 GLN 17 16.088 -13.506 -4.127 113 H ASN 18 H ASN 18 13.169 -15.317 -7.812 114 HA ASN 18 HA ASN 18 13.013 -18.117 -8.538 115 HB2 ASN 18 HB2 ASN 18 12.451 -17.298 -10.977 116 HB3 ASN 18 HB3 ASN 18 11.159 -17.595 -9.817 117 HD21 ASN 18 HD21 ASN 18 9.679 -16.084 -9.737 118 HD22 ASN 18 HD22 ASN 18 9.904 -14.409 -10.098 119 H SER 19 H SER 19 15.207 -18.291 -8.327 120 HA SER 19 HA SER 19 16.840 -16.619 -10.124 121 HB2 SER 19 HB2 SER 19 18.680 -17.613 -8.417 122 HB3 SER 19 HB3 SER 19 17.827 -16.095 -8.138 123 HG SER 19 HG SER 19 17.878 -18.012 -6.489 124 H HIS 20 H HIS 20 18.817 -17.696 -10.954 125 HA HIS 20 HA HIS 20 18.165 -20.429 -11.779 126 HB2 HIS 20 HB2 HIS 20 18.741 -18.465 -13.399 127 HB3 HIS 20 HB3 HIS 20 20.407 -18.810 -12.944 128 HD1 HIS 20 HD1 HIS 20 21.255 -19.854 -15.057 129 HD2 HIS 20 HD2 HIS 20 17.702 -21.566 -13.748 130 HE1 HIS 20 HE1 HIS 20 20.885 -21.853 -16.538 131 H GLY 21 H GLY 21 19.340 -19.696 -9.148 132 HA2 GLY 21 HA2 GLY 21 20.861 -20.641 -7.707 133 HA3 GLY 21 HA3 GLY 21 21.238 -21.794 -8.979 134 H LYS 22 H LYS 22 21.555 -18.426 -9.667 135 HA LYS 22 HA LYS 22 24.380 -18.746 -10.129 136 HB2 LYS 22 HB2 LYS 22 22.351 -16.623 -10.640 137 HB3 LYS 22 HB3 LYS 22 24.044 -16.148 -10.586 138 HG2 LYS 22 HG2 LYS 22 23.167 -18.439 -12.296 139 HG3 LYS 22 HG3 LYS 22 22.979 -16.773 -12.849 140 HD2 LYS 22 HD2 LYS 22 25.609 -17.757 -11.798 141 HD3 LYS 22 HD3 LYS 22 25.134 -18.059 -13.471 142 HE2 LYS 22 HE2 LYS 22 25.141 -15.803 -14.013 143 HE3 LYS 22 HE3 LYS 22 24.979 -15.296 -12.332 144 HZ1 LYS 22 HZ1 LYS 22 27.393 -16.772 -13.021 145 HZ2 LYS 22 HZ2 LYS 22 27.187 -15.460 -11.973 146 HZ3 LYS 22 HZ3 LYS 22 27.270 -15.204 -13.643 147 H GLY 23 H GLY 23 22.341 -17.380 -7.665 148 HA2 GLY 23 HA2 GLY 23 23.231 -17.137 -5.434 149 HA3 GLY 23 HA3 GLY 23 24.766 -16.669 -6.149 150 H LYS 24 H LYS 24 22.046 -15.311 -7.675 151 HA LYS 24 HA LYS 24 22.461 -12.786 -6.211 152 HB2 LYS 24 HB2 LYS 24 22.159 -13.351 -9.135 153 HB3 LYS 24 HB3 LYS 24 21.606 -11.808 -8.496 154 HG2 LYS 24 HG2 LYS 24 23.853 -11.388 -7.603 155 HG3 LYS 24 HG3 LYS 24 24.399 -12.918 -8.294 156 HD2 LYS 24 HD2 LYS 24 25.042 -11.387 -9.909 157 HD3 LYS 24 HD3 LYS 24 23.483 -11.944 -10.521 158 HE2 LYS 24 HE2 LYS 24 22.422 -9.970 -9.996 159 HE3 LYS 24 HE3 LYS 24 23.574 -9.566 -8.724 160 HZ1 LYS 24 HZ1 LYS 24 25.087 -8.752 -10.230 161 HZ2 LYS 24 HZ2 LYS 24 23.632 -8.291 -10.956 162 HZ3 LYS 24 HZ3 LYS 24 24.468 -9.647 -11.525 163 H ASP 25 H ASP 25 20.756 -12.991 -4.795 164 HA ASP 25 HA ASP 25 18.188 -13.898 -5.392 165 HB2 ASP 25 HB2 ASP 25 17.532 -12.407 -3.389 166 HB3 ASP 25 HB3 ASP 25 18.684 -13.710 -3.109 167 H SER 26 H SER 26 16.964 -13.133 -6.990 168 HA SER 26 HA SER 26 16.461 -10.242 -7.081 169 HB2 SER 26 HB2 SER 26 17.032 -11.998 -9.481 170 HB3 SER 26 HB3 SER 26 16.468 -10.329 -9.565 171 HG SER 26 HG SER 26 18.659 -10.236 -9.728 172 HA PRO 27 HA PRO 27 12.490 -12.540 -6.882 173 HB2 PRO 27 HB2 PRO 27 11.247 -10.670 -5.355 174 HB3 PRO 27 HB3 PRO 27 12.264 -11.946 -4.675 175 HG2 PRO 27 HG2 PRO 27 12.939 -9.085 -5.238 176 HG3 PRO 27 HG3 PRO 27 13.341 -10.071 -3.821 177 HD2 PRO 27 HD2 PRO 27 15.117 -9.584 -5.806 178 HD3 PRO 27 HD3 PRO 27 15.111 -11.098 -4.879 179 H ARG 28 H ARG 28 10.330 -11.877 -7.589 180 HA ARG 28 HA ARG 28 10.303 -9.446 -9.239 181 HB2 ARG 28 HB2 ARG 28 10.625 -11.900 -10.359 182 HB3 ARG 28 HB3 ARG 28 8.871 -11.774 -10.354 183 HG2 ARG 28 HG2 ARG 28 8.883 -9.903 -11.750 184 HG3 ARG 28 HG3 ARG 28 10.591 -9.579 -11.447 185 HD2 ARG 28 HD2 ARG 28 9.845 -12.179 -12.683 186 HD3 ARG 28 HD3 ARG 28 9.765 -10.728 -13.682 187 HE ARG 28 HE ARG 28 12.219 -10.575 -12.544 188 HH11 ARG 28 HH11 ARG 28 10.550 -13.046 -14.341 189 HH12 ARG 28 HH12 ARG 28 11.996 -13.710 -15.024 190 HH21 ARG 28 HH21 ARG 28 14.132 -11.440 -13.438 191 HH22 ARG 28 HH22 ARG 28 14.033 -12.796 -14.510 192 H CYS 29 H CYS 29 7.962 -9.106 -10.105 193 HA CYS 29 HA CYS 29 6.169 -9.401 -7.798 194 HB2 CYS 29 HB2 CYS 29 6.340 -7.389 -10.026 195 HB3 CYS 29 HB3 CYS 29 4.865 -7.568 -9.083 196 H HIS 30 H HIS 30 4.355 -10.566 -7.927 197 HA HIS 30 HA HIS 30 3.377 -11.364 -10.582 198 HB2 HIS 30 HB2 HIS 30 4.558 -13.071 -8.621 199 HB3 HIS 30 HB3 HIS 30 2.849 -13.476 -8.749 200 HD1 HIS 30 HD1 HIS 30 5.045 -12.384 -11.625 201 HD2 HIS 30 HD2 HIS 30 3.076 -15.766 -10.235 202 HE1 HIS 30 HE1 HIS 30 5.250 -14.085 -13.466 203 HA PRO 31 HA PRO 31 -0.582 -10.150 -9.118 204 HB2 PRO 31 HB2 PRO 31 -2.168 -11.739 -10.643 205 HB3 PRO 31 HB3 PRO 31 -1.297 -10.347 -11.293 206 HG2 PRO 31 HG2 PRO 31 -0.579 -13.251 -11.403 207 HG3 PRO 31 HG3 PRO 31 -0.474 -12.023 -12.679 208 HD2 PRO 31 HD2 PRO 31 1.680 -12.824 -11.246 209 HD3 PRO 31 HD3 PRO 31 1.508 -11.170 -11.867 210 H LEU 32 H LEU 32 -2.149 -10.736 -7.656 211 HA LEU 32 HA LEU 32 -1.675 -12.835 -5.903 212 HB2 LEU 32 HB2 LEU 32 -4.072 -11.133 -6.462 213 HB3 LEU 32 HB3 LEU 32 -4.168 -12.450 -5.295 214 HG LEU 32 HG LEU 32 -2.191 -10.182 -5.107 215 HD11 LEU 32 HD11 LEU 32 -3.878 -9.699 -3.101 216 HD12 LEU 32 HD12 LEU 32 -5.015 -10.402 -4.250 217 HD13 LEU 32 HD13 LEU 32 -4.071 -8.983 -4.701 218 HD21 LEU 32 HD21 LEU 32 -3.102 -12.200 -3.060 219 HD22 LEU 32 HD22 LEU 32 -1.874 -10.953 -2.843 220 HD23 LEU 32 HD23 LEU 32 -1.589 -12.287 -3.962 221 H GLY 33 H GLY 33 -2.723 -14.823 -5.530 222 HA2 GLY 33 HA2 GLY 33 -3.178 -16.404 -7.796 223 HA3 GLY 33 HA3 GLY 33 -3.605 -16.848 -6.151 224 H LYS 34 H LYS 34 -5.052 -17.390 -8.615 225 HA LYS 34 HA LYS 34 -7.496 -15.811 -8.177 226 HB2 LYS 34 HB2 LYS 34 -8.173 -16.404 -10.406 227 HB3 LYS 34 HB3 LYS 34 -6.523 -15.797 -10.475 228 HG2 LYS 34 HG2 LYS 34 -5.645 -18.001 -10.718 229 HG3 LYS 34 HG3 LYS 34 -7.225 -18.722 -10.402 230 HD2 LYS 34 HD2 LYS 34 -7.184 -18.832 -12.689 231 HD3 LYS 34 HD3 LYS 34 -7.930 -17.247 -12.471 232 HE2 LYS 34 HE2 LYS 34 -4.957 -17.486 -12.679 233 HE3 LYS 34 HE3 LYS 34 -5.947 -17.539 -14.137 234 HZ1 LYS 34 HZ1 LYS 34 -6.907 -15.401 -12.732 235 HZ2 LYS 34 HZ2 LYS 34 -5.885 -15.334 -14.079 236 HZ3 LYS 34 HZ3 LYS 34 -5.232 -15.301 -12.519 237 H LEU 35 H LEU 35 -9.474 -17.304 -9.032 238 HA LEU 35 HA LEU 35 -9.805 -19.261 -6.997 239 HB2 LEU 35 HB2 LEU 35 -11.717 -18.051 -7.707 240 HB3 LEU 35 HB3 LEU 35 -11.451 -18.492 -9.392 241 HG LEU 35 HG LEU 35 -12.083 -20.791 -8.911 242 HD11 LEU 35 HD11 LEU 35 -11.878 -21.593 -6.857 243 HD12 LEU 35 HD12 LEU 35 -13.259 -20.612 -6.370 244 HD13 LEU 35 HD13 LEU 35 -11.624 -19.974 -6.206 245 HD21 LEU 35 HD21 LEU 35 -14.476 -20.300 -8.127 246 HD22 LEU 35 HD22 LEU 35 -13.910 -19.513 -9.601 247 HD23 LEU 35 HD23 LEU 35 -13.969 -18.611 -8.086 248 H ASN 36 H ASN 36 -9.880 -21.481 -7.116 249 HA ASN 36 HA ASN 36 -9.320 -23.568 -7.825 250 HB2 ASN 36 HB2 ASN 36 -9.915 -22.450 -10.573 251 HB3 ASN 36 HB3 ASN 36 -9.809 -24.157 -10.152 252 HD21 ASN 36 HD21 ASN 36 -12.013 -22.491 -11.237 253 HD22 ASN 36 HD22 ASN 36 -13.344 -22.757 -10.167 254 H ASN 37 H ASN 37 -7.216 -21.753 -7.410 255 HA ASN 37 HA ASN 37 -5.230 -22.834 -9.287 256 HB2 ASN 37 HB2 ASN 37 -5.890 -20.033 -8.800 257 HB3 ASN 37 HB3 ASN 37 -4.185 -20.379 -8.531 258 HD21 ASN 37 HD21 ASN 37 -6.794 -20.866 -10.864 259 HD22 ASN 37 HD22 ASN 37 -5.792 -20.775 -12.269 260 HA PRO 38 HA PRO 38 -2.848 -23.933 -5.770 261 HB2 PRO 38 HB2 PRO 38 -0.312 -23.488 -6.629 262 HB3 PRO 38 HB3 PRO 38 -1.304 -24.827 -7.218 263 HG2 PRO 38 HG2 PRO 38 -0.762 -22.170 -8.488 264 HG3 PRO 38 HG3 PRO 38 -0.801 -23.779 -9.232 265 HD2 PRO 38 HD2 PRO 38 -2.871 -22.043 -9.407 266 HD3 PRO 38 HD3 PRO 38 -3.103 -23.802 -9.361 267 H CYS 39 H CYS 39 -2.364 -22.973 -3.895 268 HA CYS 39 HA CYS 39 -0.972 -20.417 -3.859 269 HB2 CYS 39 HB2 CYS 39 -2.614 -19.285 -2.516 270 HB3 CYS 39 HB3 CYS 39 -3.421 -19.894 -3.958 271 H GLU 40 H GLU 40 -0.477 -19.755 -1.553 272 HA GLU 40 HA GLU 40 -0.127 -22.130 0.152 273 HB2 GLU 40 HB2 GLU 40 1.914 -20.792 -1.143 274 HB3 GLU 40 HB3 GLU 40 1.937 -20.086 0.467 275 HG2 GLU 40 HG2 GLU 40 3.442 -21.904 0.489 276 HG3 GLU 40 HG3 GLU 40 2.013 -22.413 1.387 277 H VAL 41 H VAL 41 -0.200 -21.801 2.386 278 HA VAL 41 HA VAL 41 -2.034 -19.974 3.354 279 HB VAL 41 HB VAL 41 0.218 -21.188 4.960 280 HG11 VAL 41 HG11 VAL 41 -2.534 -20.284 5.801 281 HG12 VAL 41 HG12 VAL 41 -1.289 -20.969 6.847 282 HG13 VAL 41 HG13 VAL 41 -1.038 -19.396 6.089 283 HG21 VAL 41 HG21 VAL 41 -0.840 -22.984 3.827 284 HG22 VAL 41 HG22 VAL 41 -1.499 -22.966 5.462 285 HG23 VAL 41 HG23 VAL 41 -2.445 -22.316 4.124 286 H GLU 42 H GLU 42 1.470 -19.845 4.028 287 HA GLU 42 HA GLU 42 1.382 -16.936 3.748 288 HB2 GLU 42 HB2 GLU 42 2.237 -18.425 6.223 289 HB3 GLU 42 HB3 GLU 42 2.800 -16.795 5.877 290 HG2 GLU 42 HG2 GLU 42 0.330 -16.177 5.680 291 HG3 GLU 42 HG3 GLU 42 0.013 -17.727 6.458 292 HA PRO 43 HA PRO 43 5.295 -17.400 1.820 293 HB2 PRO 43 HB2 PRO 43 6.530 -15.086 2.519 294 HB3 PRO 43 HB3 PRO 43 5.206 -15.153 1.351 295 HG2 PRO 43 HG2 PRO 43 5.137 -14.416 4.251 296 HG3 PRO 43 HG3 PRO 43 4.321 -13.642 2.881 297 HD2 PRO 43 HD2 PRO 43 3.050 -15.341 4.562 298 HD3 PRO 43 HD3 PRO 43 2.628 -15.206 2.843 299 H ASN 44 H ASN 44 7.775 -16.730 2.440 300 HA ASN 44 HA ASN 44 8.467 -18.551 4.536 301 HB2 ASN 44 HB2 ASN 44 10.461 -16.687 3.304 302 HB3 ASN 44 HB3 ASN 44 10.653 -18.373 3.777 303 HD21 ASN 44 HD21 ASN 44 11.105 -16.816 1.232 304 HD22 ASN 44 HD22 ASN 44 10.302 -17.749 0.019 305 H GLU 45 H GLU 45 10.640 -17.486 5.776 306 HA GLU 45 HA GLU 45 9.465 -15.934 7.830 307 HB2 GLU 45 HB2 GLU 45 11.623 -15.947 8.868 308 HB3 GLU 45 HB3 GLU 45 11.378 -17.521 8.126 309 HG2 GLU 45 HG2 GLU 45 12.676 -16.573 6.135 310 HG3 GLU 45 HG3 GLU 45 13.165 -15.290 7.240 311 H ASN 46 H ASN 46 10.850 -15.095 4.839 312 HA ASN 46 HA ASN 46 11.443 -12.359 5.690 313 HB2 ASN 46 HB2 ASN 46 12.032 -13.914 3.177 314 HB3 ASN 46 HB3 ASN 46 12.234 -12.166 3.253 315 HD21 ASN 46 HD21 ASN 46 13.390 -15.242 4.369 316 HD22 ASN 46 HD22 ASN 46 14.876 -14.668 5.041 317 H GLY 47 H GLY 47 9.144 -14.222 3.861 318 HA2 GLY 47 HA2 GLY 47 6.912 -13.397 3.553 319 HA3 GLY 47 HA3 GLY 47 7.568 -11.769 3.463 320 H ILE 48 H ILE 48 8.939 -14.506 1.758 321 HA ILE 48 HA ILE 48 8.026 -13.299 -0.772 322 HB ILE 48 HB ILE 48 10.597 -14.809 -0.289 323 HG12 ILE 48 HG12 ILE 48 10.184 -11.872 -0.886 324 HG13 ILE 48 HG13 ILE 48 10.513 -12.522 0.716 325 HG21 ILE 48 HG21 ILE 48 10.415 -15.208 -2.487 326 HG22 ILE 48 HG22 ILE 48 9.167 -13.982 -2.705 327 HG23 ILE 48 HG23 ILE 48 10.866 -13.513 -2.670 328 HD11 ILE 48 HD11 ILE 48 12.649 -13.439 -0.181 329 HD12 ILE 48 HD12 ILE 48 12.324 -12.565 -1.679 330 HD13 ILE 48 HD13 ILE 48 12.546 -11.678 -0.171 331 H TYR 49 H TYR 49 7.352 -14.653 -2.423 332 HA TYR 49 HA TYR 49 6.716 -17.394 -1.579 333 HB2 TYR 49 HB2 TYR 49 5.413 -15.478 -3.491 334 HB3 TYR 49 HB3 TYR 49 5.114 -17.207 -3.621 335 HD1 TYR 49 HD1 TYR 49 4.709 -14.246 -1.462 336 HD2 TYR 49 HD2 TYR 49 3.717 -18.343 -2.047 337 HE1 TYR 49 HE1 TYR 49 2.984 -14.072 0.283 338 HE2 TYR 49 HE2 TYR 49 1.988 -18.179 -0.305 339 HH TYR 49 HH TYR 49 1.270 -15.096 1.285 340 H SER 50 H SER 50 6.305 -18.739 -3.806 341 HA SER 50 HA SER 50 8.966 -18.891 -4.991 342 HB2 SER 50 HB2 SER 50 6.721 -20.772 -4.575 343 HB3 SER 50 HB3 SER 50 7.637 -20.997 -6.064 344 HG SER 50 HG SER 50 8.567 -22.190 -4.384 345 H GLN 51 H GLN 51 5.827 -19.635 -6.463 346 HA GLN 51 HA GLN 51 6.535 -17.840 -8.689 347 HB2 GLN 51 HB2 GLN 51 6.551 -20.491 -8.961 348 HB3 GLN 51 HB3 GLN 51 4.829 -20.226 -9.201 349 HG2 GLN 51 HG2 GLN 51 5.127 -19.134 -11.176 350 HG3 GLN 51 HG3 GLN 51 6.721 -18.530 -10.731 351 HE21 GLN 51 HE21 GLN 51 7.528 -19.196 -12.747 352 HE22 GLN 51 HE22 GLN 51 7.872 -20.856 -13.075 353 H HIS 52 H HIS 52 3.752 -19.637 -7.359 354 HA HIS 52 HA HIS 52 1.883 -17.694 -8.350 355 HB2 HIS 52 HB2 HIS 52 1.694 -20.210 -6.740 356 HB3 HIS 52 HB3 HIS 52 0.325 -19.101 -6.755 357 HD1 HIS 52 HD1 HIS 52 -1.108 -19.032 -8.849 358 HD2 HIS 52 HD2 HIS 52 2.275 -21.408 -9.259 359 HE1 HIS 52 HE1 HIS 52 -1.422 -20.282 -11.008 360 H CYS 53 H CYS 53 0.211 -16.772 -6.794 361 HA CYS 53 HA CYS 53 1.589 -15.718 -4.410 362 HB2 CYS 53 HB2 CYS 53 -0.094 -14.386 -6.483 363 HB3 CYS 53 HB3 CYS 53 -0.188 -13.790 -4.829 364 HA PRO 54 HA PRO 54 -1.685 -17.106 -1.844 365 HB2 PRO 54 HB2 PRO 54 -1.964 -15.057 -0.086 366 HB3 PRO 54 HB3 PRO 54 -0.577 -16.152 -0.073 367 HG2 PRO 54 HG2 PRO 54 -0.811 -13.404 -1.238 368 HG3 PRO 54 HG3 PRO 54 0.518 -14.113 -0.300 369 HD2 PRO 54 HD2 PRO 54 0.591 -13.899 -2.999 370 HD3 PRO 54 HD3 PRO 54 1.377 -15.231 -2.124 371 H CYS 55 H CYS 55 -3.875 -16.594 -1.012 372 HA CYS 55 HA CYS 55 -5.490 -15.474 -3.069 373 HB2 CYS 55 HB2 CYS 55 -6.146 -16.448 -0.285 374 HB3 CYS 55 HB3 CYS 55 -7.364 -15.899 -1.432 375 H GLY 56 H GLY 56 -6.147 -13.445 -3.345 376 HA2 GLY 56 HA2 GLY 56 -6.477 -11.681 -1.049 377 HA3 GLY 56 HA3 GLY 56 -5.249 -11.207 -2.214 378 H GLU 57 H GLU 57 -7.969 -12.872 -3.474 379 HA GLU 57 HA GLU 57 -9.160 -10.320 -4.335 380 HB2 GLU 57 HB2 GLU 57 -9.567 -11.227 -6.527 381 HB3 GLU 57 HB3 GLU 57 -7.860 -11.421 -6.153 382 HG2 GLU 57 HG2 GLU 57 -8.226 -13.759 -5.605 383 HG3 GLU 57 HG3 GLU 57 -9.950 -13.575 -5.925 384 H GLY 58 H GLY 58 -9.891 -12.063 -2.110 385 HA2 GLY 58 HA2 GLY 58 -12.051 -12.386 -1.220 386 HA3 GLY 58 HA3 GLY 58 -12.692 -12.446 -2.855 387 H LEU 59 H LEU 59 -9.883 -14.317 -2.132 388 HA LEU 59 HA LEU 59 -11.526 -16.755 -2.257 389 HB2 LEU 59 HB2 LEU 59 -8.602 -16.427 -2.909 390 HB3 LEU 59 HB3 LEU 59 -9.570 -17.883 -3.131 391 HG LEU 59 HG LEU 59 -10.329 -15.374 -4.566 392 HD11 LEU 59 HD11 LEU 59 -7.882 -15.756 -4.906 393 HD12 LEU 59 HD12 LEU 59 -8.855 -15.849 -6.374 394 HD13 LEU 59 HD13 LEU 59 -8.286 -17.327 -5.599 395 HD21 LEU 59 HD21 LEU 59 -11.762 -17.429 -4.534 396 HD22 LEU 59 HD22 LEU 59 -10.472 -18.266 -5.396 397 HD23 LEU 59 HD23 LEU 59 -11.280 -16.886 -6.141 398 H SER 60 H SER 60 -10.218 -18.694 -1.247 399 HA SER 60 HA SER 60 -8.859 -17.937 1.215 400 HB2 SER 60 HB2 SER 60 -11.506 -18.205 1.435 401 HB3 SER 60 HB3 SER 60 -11.068 -19.910 1.546 402 HG SER 60 HG SER 60 -11.142 -18.710 3.582 403 H CYS 61 H CYS 61 -7.095 -19.143 1.277 404 HA CYS 61 HA CYS 61 -6.560 -21.344 -0.326 405 HB2 CYS 61 HB2 CYS 61 -5.296 -20.041 1.979 406 HB3 CYS 61 HB3 CYS 61 -4.918 -21.754 1.837 407 H THR 62 H THR 62 -7.860 -23.082 -0.345 408 HA THR 62 HA THR 62 -8.400 -24.413 2.231 409 HB THR 62 HB THR 62 -10.441 -23.546 1.080 410 HG1 THR 62 HG1 THR 62 -11.485 -25.250 1.827 411 HG21 THR 62 HG21 THR 62 -9.639 -23.921 -1.238 412 HG22 THR 62 HG22 THR 62 -11.231 -24.619 -0.939 413 HG23 THR 62 HG23 THR 62 -9.807 -25.657 -0.983 414 H LYS 63 H LYS 63 -7.877 -26.527 2.446 415 HA LYS 63 HA LYS 63 -6.128 -27.688 0.495 416 HB2 LYS 63 HB2 LYS 63 -5.615 -28.076 2.797 417 HB3 LYS 63 HB3 LYS 63 -7.233 -28.687 3.118 418 HG2 LYS 63 HG2 LYS 63 -6.770 -30.624 1.681 419 HG3 LYS 63 HG3 LYS 63 -5.133 -30.017 1.417 420 HD2 LYS 63 HD2 LYS 63 -4.489 -30.436 3.608 421 HD3 LYS 63 HD3 LYS 63 -6.152 -30.454 4.197 422 HE2 LYS 63 HE2 LYS 63 -6.319 -32.526 2.555 423 HE3 LYS 63 HE3 LYS 63 -4.582 -32.590 2.850 424 HZ1 LYS 63 HZ1 LYS 63 -6.561 -32.467 5.049 425 HZ2 LYS 63 HZ2 LYS 63 -4.925 -32.887 5.141 426 HZ3 LYS 63 HZ3 LYS 63 -6.025 -33.931 4.392 427 H VAL 64 H VAL 64 -6.692 -28.906 -1.176 428 HA VAL 64 HA VAL 64 -9.313 -30.254 -1.112 429 HB VAL 64 HB VAL 64 -9.442 -30.037 -3.515 430 HG11 VAL 64 HG11 VAL 64 -9.558 -27.560 -3.707 431 HG12 VAL 64 HG12 VAL 64 -10.359 -28.199 -2.270 432 HG13 VAL 64 HG13 VAL 64 -8.771 -27.443 -2.135 433 HG21 VAL 64 HG21 VAL 64 -6.722 -28.766 -3.278 434 HG22 VAL 64 HG22 VAL 64 -7.154 -30.229 -4.163 435 HG23 VAL 64 HG23 VAL 64 -7.729 -28.657 -4.722 436 H GLY 65 H GLY 65 -5.924 -30.619 -1.459 437 HA2 GLY 65 HA2 GLY 65 -6.325 -33.478 -2.060 438 HA3 GLY 65 HA3 GLY 65 -5.093 -32.555 -2.907 439 H GLU 66 H GLU 66 -3.593 -34.143 -2.065 440 HA GLU 66 HA GLU 66 -2.646 -33.375 0.597 441 HB2 GLU 66 HB2 GLU 66 -2.053 -35.940 0.800 442 HB3 GLU 66 HB3 GLU 66 -3.625 -35.328 1.296 443 HG2 GLU 66 HG2 GLU 66 -4.639 -36.084 -0.724 444 HG3 GLU 66 HG3 GLU 66 -3.072 -36.496 -1.418 445 HA PRO 67 HA PRO 67 -1.008 -34.700 1.892 446 HB2 PRO 67 HB2 PRO 67 1.176 -33.427 2.878 447 HB3 PRO 67 HB3 PRO 67 1.216 -35.099 2.308 448 HG2 PRO 67 HG2 PRO 67 2.063 -32.597 0.900 449 HG3 PRO 67 HG3 PRO 67 2.873 -34.173 0.965 450 HD2 PRO 67 HD2 PRO 67 1.390 -33.382 -1.159 451 HD3 PRO 67 HD3 PRO 67 1.508 -35.081 -0.657 452 H ASN 68 H ASN 68 0.380 -31.637 0.694 453 HA ASN 68 HA ASN 68 -1.724 -30.212 2.185 454 HB2 ASN 68 HB2 ASN 68 0.729 -30.066 3.064 455 HB3 ASN 68 HB3 ASN 68 0.971 -28.980 1.697 456 HD21 ASN 68 HD21 ASN 68 1.127 -27.039 2.600 457 HD22 ASN 68 HD22 ASN 68 -0.044 -26.333 3.656 458 H LYS 69 H LYS 69 -2.356 -30.874 -0.289 459 HA LYS 69 HA LYS 69 -1.501 -28.923 -2.226 460 HB2 LYS 69 HB2 LYS 69 -2.187 -31.289 -2.774 461 HB3 LYS 69 HB3 LYS 69 -3.844 -30.818 -2.421 462 HG2 LYS 69 HG2 LYS 69 -4.038 -29.556 -4.312 463 HG3 LYS 69 HG3 LYS 69 -2.311 -29.199 -4.385 464 HD2 LYS 69 HD2 LYS 69 -1.996 -31.675 -4.919 465 HD3 LYS 69 HD3 LYS 69 -3.739 -31.719 -5.193 466 HE2 LYS 69 HE2 LYS 69 -2.559 -31.383 -7.289 467 HE3 LYS 69 HE3 LYS 69 -3.506 -29.953 -6.880 468 HZ1 LYS 69 HZ1 LYS 69 -1.606 -28.766 -6.309 469 HZ2 LYS 69 HZ2 LYS 69 -1.133 -29.613 -7.695 470 HZ3 LYS 69 HZ3 LYS 69 -0.647 -30.152 -6.166 471 H LEU 70 H LEU 70 -2.079 -27.025 -0.949 472 HA LEU 70 HA LEU 70 -4.870 -26.476 -0.481 473 HB2 LEU 70 HB2 LEU 70 -2.295 -25.201 0.119 474 HB3 LEU 70 HB3 LEU 70 -3.620 -24.079 -0.188 475 HG LEU 70 HG LEU 70 -4.908 -25.082 1.621 476 HD11 LEU 70 HD11 LEU 70 -3.794 -26.722 3.124 477 HD12 LEU 70 HD12 LEU 70 -2.520 -26.895 1.915 478 HD13 LEU 70 HD13 LEU 70 -4.176 -27.358 1.523 479 HD21 LEU 70 HD21 LEU 70 -2.493 -23.614 1.892 480 HD22 LEU 70 HD22 LEU 70 -2.610 -24.732 3.251 481 HD23 LEU 70 HD23 LEU 70 -3.919 -23.592 2.931 482 H ARG 71 H ARG 71 -6.196 -25.117 -1.616 483 HA ARG 71 HA ARG 71 -5.120 -23.795 -3.998 484 HB2 ARG 71 HB2 ARG 71 -7.557 -25.585 -4.013 485 HB3 ARG 71 HB3 ARG 71 -6.975 -24.630 -5.371 486 HG2 ARG 71 HG2 ARG 71 -4.758 -26.038 -4.838 487 HG3 ARG 71 HG3 ARG 71 -5.982 -27.181 -4.282 488 HD2 ARG 71 HD2 ARG 71 -6.857 -27.475 -6.375 489 HD3 ARG 71 HD3 ARG 71 -6.390 -25.861 -6.913 490 HE ARG 71 HE ARG 71 -4.043 -27.273 -6.517 491 HH11 ARG 71 HH11 ARG 71 -6.869 -27.503 -8.537 492 HH12 ARG 71 HH12 ARG 71 -6.032 -28.271 -9.845 493 HH21 ARG 71 HH21 ARG 71 -2.929 -28.284 -8.233 494 HH22 ARG 71 HH22 ARG 71 -3.792 -28.715 -9.671 495 H CYS 72 H CYS 72 -6.416 -22.065 -4.792 496 HA CYS 72 HA CYS 72 -7.718 -20.591 -2.735 497 HB2 CYS 72 HB2 CYS 72 -6.976 -20.152 -5.561 498 HB3 CYS 72 HB3 CYS 72 -8.368 -19.235 -4.996 499 H GLN 73 H GLN 73 -9.860 -20.152 -2.409 500 HA GLN 73 HA GLN 73 -11.860 -21.156 -4.252 501 HB2 GLN 73 HB2 GLN 73 -11.216 -23.057 -2.685 502 HB3 GLN 73 HB3 GLN 73 -11.928 -22.104 -1.391 503 HG2 GLN 73 HG2 GLN 73 -13.422 -23.850 -2.348 504 HG3 GLN 73 HG3 GLN 73 -14.082 -22.215 -2.378 505 HE21 GLN 73 HE21 GLN 73 -11.742 -23.774 -4.522 506 HE22 GLN 73 HE22 GLN 73 -12.677 -23.595 -5.963 507 H GLU 74 H GLU 74 -13.557 -19.825 -4.310 508 HA GLU 74 HA GLU 74 -13.651 -17.407 -2.983 509 HB2 GLU 74 HB2 GLU 74 -15.901 -19.020 -4.192 510 HB3 GLU 74 HB3 GLU 74 -16.078 -17.357 -3.646 511 HG2 GLU 74 HG2 GLU 74 -14.017 -16.977 -5.242 512 HG3 GLU 74 HG3 GLU 74 -14.640 -18.439 -6.004 513 H GLU 75 H GLU 75 -13.897 -16.957 -0.906 514 HA GLU 75 HA GLU 75 -14.759 -18.822 1.022 515 HB2 GLU 75 HB2 GLU 75 -13.333 -16.599 1.209 516 HB3 GLU 75 HB3 GLU 75 -14.901 -15.895 1.584 517 HG2 GLU 75 HG2 GLU 75 -13.967 -18.331 3.035 518 HG3 GLU 75 HG3 GLU 75 -13.376 -16.736 3.497 519 H SER 76 H SER 76 -16.643 -18.882 2.290 520 HA SER 76 HA SER 76 -19.037 -18.161 0.842 521 HB2 SER 76 HB2 SER 76 -18.467 -19.769 3.315 522 HB3 SER 76 HB3 SER 76 -20.116 -19.274 2.933 523 HG SER 76 HG SER 76 -18.398 -20.989 1.512 Start of MODEL 14 1 H1 SER 1 H SER 1 1.919 -0.050 0.623 2 HA SER 1 HA SER 1 1.592 -0.358 -2.281 3 HB2 SER 1 HB2 SER 1 3.786 1.163 -2.286 4 HB3 SER 1 HB3 SER 1 2.168 1.864 -2.341 5 HG SER 1 HG SER 1 3.817 2.623 -0.685 6 H VAL 2 H VAL 2 2.673 -2.057 -3.010 7 HA VAL 2 HA VAL 2 4.416 -3.567 -1.346 8 HB VAL 2 HB VAL 2 3.019 -4.635 -3.056 9 HG11 VAL 2 HG11 VAL 2 4.826 -3.218 -5.011 10 HG12 VAL 2 HG12 VAL 2 3.676 -4.488 -5.435 11 HG13 VAL 2 HG13 VAL 2 3.098 -2.953 -4.785 12 HG21 VAL 2 HG21 VAL 2 5.504 -5.360 -2.316 13 HG22 VAL 2 HG22 VAL 2 4.484 -6.327 -3.382 14 HG23 VAL 2 HG23 VAL 2 5.718 -5.268 -4.064 15 H THR 3 H THR 3 6.607 -3.748 -1.333 16 HA THR 3 HA THR 3 8.175 -2.236 -3.284 17 HB THR 3 HB THR 3 8.653 -1.926 -0.317 18 HG1 THR 3 HG1 THR 3 7.818 0.219 -0.685 19 HG21 THR 3 HG21 THR 3 9.860 -0.664 -2.773 20 HG22 THR 3 HG22 THR 3 10.674 -1.602 -1.522 21 HG23 THR 3 HG23 THR 3 10.054 0.007 -1.155 22 H CYS 4 H CYS 4 9.373 -3.819 -4.136 23 HA CYS 4 HA CYS 4 11.120 -5.336 -2.363 24 HB2 CYS 4 HB2 CYS 4 9.023 -6.529 -4.134 25 HB3 CYS 4 HB3 CYS 4 10.544 -7.388 -3.913 26 H GLY 5 H GLY 5 13.015 -6.100 -3.360 27 HA2 GLY 5 HA2 GLY 5 14.700 -6.159 -4.927 28 HA3 GLY 5 HA3 GLY 5 13.482 -5.877 -6.161 29 H GLY 6 H GLY 6 13.610 -3.605 -3.587 30 HA2 GLY 6 HA2 GLY 6 14.428 -1.455 -3.443 31 HA3 GLY 6 HA3 GLY 6 15.560 -1.855 -4.727 32 H LYS 7 H LYS 7 12.160 -2.326 -5.220 33 HA LYS 7 HA LYS 7 11.840 0.236 -6.557 34 HB2 LYS 7 HB2 LYS 7 12.132 -2.359 -7.965 35 HB3 LYS 7 HB3 LYS 7 10.849 -1.299 -8.534 36 HG2 LYS 7 HG2 LYS 7 13.621 -0.244 -8.160 37 HG3 LYS 7 HG3 LYS 7 13.194 -1.154 -9.611 38 HD2 LYS 7 HD2 LYS 7 11.205 0.476 -9.782 39 HD3 LYS 7 HD3 LYS 7 12.113 1.472 -8.643 40 HE2 LYS 7 HE2 LYS 7 14.067 1.049 -10.359 41 HE3 LYS 7 HE3 LYS 7 12.729 0.763 -11.470 42 HZ1 LYS 7 HZ1 LYS 7 12.260 2.924 -11.557 43 HZ2 LYS 7 HZ2 LYS 7 13.777 3.185 -10.858 44 HZ3 LYS 7 HZ3 LYS 7 12.395 3.132 -9.883 45 H GLN 8 H GLN 8 9.763 0.941 -6.565 46 HA GLN 8 HA GLN 8 7.858 -0.533 -5.000 47 HB2 GLN 8 HB2 GLN 8 8.011 2.181 -6.199 48 HB3 GLN 8 HB3 GLN 8 6.407 1.539 -5.868 49 HG2 GLN 8 HG2 GLN 8 6.662 1.672 -3.630 50 HG3 GLN 8 HG3 GLN 8 8.385 1.307 -3.693 51 HE21 GLN 8 HE21 GLN 8 9.253 2.932 -2.569 52 HE22 GLN 8 HE22 GLN 8 9.058 4.608 -2.938 53 H CYS 9 H CYS 9 6.159 -1.704 -5.672 54 HA CYS 9 HA CYS 9 5.628 -1.791 -8.570 55 HB2 CYS 9 HB2 CYS 9 5.922 -3.947 -6.543 56 HB3 CYS 9 HB3 CYS 9 4.705 -4.180 -7.794 57 H LYS 10 H LYS 10 3.363 -2.907 -8.922 58 HA LYS 10 HA LYS 10 1.441 -1.139 -7.722 59 HB2 LYS 10 HB2 LYS 10 1.550 -2.954 -10.002 60 HB3 LYS 10 HB3 LYS 10 0.010 -3.030 -9.157 61 HG2 LYS 10 HG2 LYS 10 0.006 -0.478 -9.316 62 HG3 LYS 10 HG3 LYS 10 1.293 -0.683 -10.508 63 HD2 LYS 10 HD2 LYS 10 -1.452 -1.931 -10.660 64 HD3 LYS 10 HD3 LYS 10 -0.923 -0.508 -11.559 65 HE2 LYS 10 HE2 LYS 10 0.928 -1.971 -12.496 66 HE3 LYS 10 HE3 LYS 10 0.054 -3.342 -11.813 67 HZ1 LYS 10 HZ1 LYS 10 -0.411 -2.025 -14.238 68 HZ2 LYS 10 HZ2 LYS 10 -1.762 -1.775 -13.251 69 HZ3 LYS 10 HZ3 LYS 10 -1.242 -3.350 -13.589 70 HA PRO 11 HA PRO 11 -0.192 -3.664 -4.528 71 HB2 PRO 11 HB2 PRO 11 -2.860 -3.200 -4.717 72 HB3 PRO 11 HB3 PRO 11 -1.716 -1.995 -4.114 73 HG2 PRO 11 HG2 PRO 11 -2.935 -2.254 -6.836 74 HG3 PRO 11 HG3 PRO 11 -2.686 -0.798 -5.857 75 HD2 PRO 11 HD2 PRO 11 -1.038 -1.483 -7.894 76 HD3 PRO 11 HD3 PRO 11 -0.464 -0.628 -6.446 77 H ASN 12 H ASN 12 -1.803 -5.413 -4.034 78 HA ASN 12 HA ASN 12 -2.686 -7.469 -4.439 79 HB2 ASN 12 HB2 ASN 12 -3.138 -6.524 -7.274 80 HB3 ASN 12 HB3 ASN 12 -4.006 -7.796 -6.418 81 HD21 ASN 12 HD21 ASN 12 -3.953 -4.548 -7.245 82 HD22 ASN 12 HD22 ASN 12 -5.222 -3.998 -6.210 83 H SER 13 H SER 13 0.160 -6.873 -4.947 84 HA SER 13 HA SER 13 0.755 -9.281 -6.507 85 HB2 SER 13 HB2 SER 13 2.653 -7.038 -6.883 86 HB3 SER 13 HB3 SER 13 2.111 -8.263 -8.030 87 HG SER 13 HG SER 13 0.747 -5.915 -7.220 88 H CYS 14 H CYS 14 1.867 -10.600 -5.243 89 HA CYS 14 HA CYS 14 3.338 -9.557 -2.965 90 HB2 CYS 14 HB2 CYS 14 3.428 -11.801 -2.173 91 HB3 CYS 14 HB3 CYS 14 1.812 -11.571 -2.832 92 H CYS 15 H CYS 15 5.498 -10.608 -2.473 93 HA CYS 15 HA CYS 15 7.192 -10.303 -4.823 94 HB2 CYS 15 HB2 CYS 15 8.068 -10.695 -1.959 95 HB3 CYS 15 HB3 CYS 15 9.021 -10.058 -3.296 96 H VAL 16 H VAL 16 8.225 -11.927 -5.811 97 HA VAL 16 HA VAL 16 8.230 -14.568 -4.502 98 HB VAL 16 HB VAL 16 8.106 -15.524 -6.847 99 HG11 VAL 16 HG11 VAL 16 5.991 -14.361 -5.217 100 HG12 VAL 16 HG12 VAL 16 5.528 -14.571 -6.908 101 HG13 VAL 16 HG13 VAL 16 6.097 -15.953 -5.969 102 HG21 VAL 16 HG21 VAL 16 8.365 -12.860 -7.580 103 HG22 VAL 16 HG22 VAL 16 7.960 -14.209 -8.641 104 HG23 VAL 16 HG23 VAL 16 6.676 -13.243 -7.913 105 H GLN 17 H GLN 17 10.186 -15.401 -4.222 106 HA GLN 17 HA GLN 17 12.499 -14.121 -5.355 107 HB2 GLN 17 HB2 GLN 17 12.225 -15.200 -3.004 108 HB3 GLN 17 HB3 GLN 17 12.579 -16.709 -3.837 109 HG2 GLN 17 HG2 GLN 17 14.670 -16.120 -3.168 110 HG3 GLN 17 HG3 GLN 17 14.627 -15.348 -4.752 111 HE21 GLN 17 HE21 GLN 17 14.363 -13.098 -4.876 112 HE22 GLN 17 HE22 GLN 17 14.709 -12.074 -3.528 113 H ASN 18 H ASN 18 13.518 -14.655 -7.168 114 HA ASN 18 HA ASN 18 13.087 -17.347 -8.282 115 HB2 ASN 18 HB2 ASN 18 13.182 -14.719 -9.777 116 HB3 ASN 18 HB3 ASN 18 13.192 -16.302 -10.550 117 HD21 ASN 18 HD21 ASN 18 11.364 -17.735 -9.319 118 HD22 ASN 18 HD22 ASN 18 9.801 -17.002 -9.407 119 H SER 19 H SER 19 15.266 -16.189 -6.634 120 HA SER 19 HA SER 19 17.532 -15.730 -8.277 121 HB2 SER 19 HB2 SER 19 17.758 -14.900 -6.101 122 HB3 SER 19 HB3 SER 19 17.147 -16.384 -5.369 123 HG SER 19 HG SER 19 19.228 -16.697 -5.088 124 H HIS 20 H HIS 20 19.423 -17.117 -8.448 125 HA HIS 20 HA HIS 20 18.665 -19.958 -8.634 126 HB2 HIS 20 HB2 HIS 20 19.361 -18.515 -10.720 127 HB3 HIS 20 HB3 HIS 20 20.993 -18.815 -10.129 128 HD1 HIS 20 HD1 HIS 20 21.375 -20.194 -12.347 129 HD2 HIS 20 HD2 HIS 20 18.565 -21.784 -9.734 130 HE1 HIS 20 HE1 HIS 20 21.015 -22.564 -13.108 131 H GLY 21 H GLY 21 19.742 -18.527 -6.277 132 HA2 GLY 21 HA2 GLY 21 21.148 -19.124 -4.549 133 HA3 GLY 21 HA3 GLY 21 21.689 -20.481 -5.525 134 H LYS 22 H LYS 22 21.859 -17.237 -6.761 135 HA LYS 22 HA LYS 22 24.728 -17.466 -7.013 136 HB2 LYS 22 HB2 LYS 22 22.715 -15.415 -7.917 137 HB3 LYS 22 HB3 LYS 22 24.446 -15.165 -8.102 138 HG2 LYS 22 HG2 LYS 22 24.644 -16.750 -9.730 139 HG3 LYS 22 HG3 LYS 22 23.277 -17.694 -9.131 140 HD2 LYS 22 HD2 LYS 22 22.497 -16.762 -11.128 141 HD3 LYS 22 HD3 LYS 22 21.831 -15.711 -9.875 142 HE2 LYS 22 HE2 LYS 22 23.759 -14.176 -10.236 143 HE3 LYS 22 HE3 LYS 22 24.256 -15.189 -11.591 144 HZ1 LYS 22 HZ1 LYS 22 22.900 -14.003 -12.855 145 HZ2 LYS 22 HZ2 LYS 22 22.299 -13.149 -11.525 146 HZ3 LYS 22 HZ3 LYS 22 21.580 -14.609 -11.987 147 H GLY 23 H GLY 23 22.455 -15.884 -4.932 148 HA2 GLY 23 HA2 GLY 23 23.216 -15.188 -2.743 149 HA3 GLY 23 HA3 GLY 23 24.718 -14.663 -3.489 150 H LYS 24 H LYS 24 21.930 -13.912 -5.288 151 HA LYS 24 HA LYS 24 21.953 -11.160 -4.232 152 HB2 LYS 24 HB2 LYS 24 21.923 -12.169 -7.057 153 HB3 LYS 24 HB3 LYS 24 21.217 -10.604 -6.674 154 HG2 LYS 24 HG2 LYS 24 23.236 -9.653 -6.190 155 HG3 LYS 24 HG3 LYS 24 23.969 -11.187 -5.714 156 HD2 LYS 24 HD2 LYS 24 23.788 -11.848 -8.168 157 HD3 LYS 24 HD3 LYS 24 23.442 -10.146 -8.487 158 HE2 LYS 24 HE2 LYS 24 25.836 -10.864 -6.860 159 HE3 LYS 24 HE3 LYS 24 25.896 -11.073 -8.608 160 HZ1 LYS 24 HZ1 LYS 24 25.599 -8.808 -8.964 161 HZ2 LYS 24 HZ2 LYS 24 26.662 -8.858 -7.650 162 HZ3 LYS 24 HZ3 LYS 24 25.023 -8.523 -7.400 163 H ASP 25 H ASP 25 20.142 -11.087 -3.026 164 HA ASP 25 HA ASP 25 17.744 -12.470 -3.663 165 HB2 ASP 25 HB2 ASP 25 18.250 -10.173 -1.760 166 HB3 ASP 25 HB3 ASP 25 16.749 -11.091 -1.843 167 H SER 26 H SER 26 16.844 -11.976 -5.594 168 HA SER 26 HA SER 26 15.949 -9.196 -5.956 169 HB2 SER 26 HB2 SER 26 16.338 -9.401 -8.379 170 HB3 SER 26 HB3 SER 26 17.837 -9.607 -7.474 171 HG SER 26 HG SER 26 17.045 -11.204 -9.260 172 HA PRO 27 HA PRO 27 12.296 -11.978 -6.070 173 HB2 PRO 27 HB2 PRO 27 10.638 -10.188 -4.882 174 HB3 PRO 27 HB3 PRO 27 11.697 -11.268 -3.969 175 HG2 PRO 27 HG2 PRO 27 12.092 -8.389 -4.686 176 HG3 PRO 27 HG3 PRO 27 12.411 -9.213 -3.149 177 HD2 PRO 27 HD2 PRO 27 14.371 -8.634 -4.925 178 HD3 PRO 27 HD3 PRO 27 14.423 -10.069 -3.880 179 H ARG 28 H ARG 28 10.162 -11.625 -7.069 180 HA ARG 28 HA ARG 28 10.228 -9.469 -9.077 181 HB2 ARG 28 HB2 ARG 28 10.439 -12.128 -9.637 182 HB3 ARG 28 HB3 ARG 28 8.699 -11.893 -9.756 183 HG2 ARG 28 HG2 ARG 28 9.658 -11.610 -11.925 184 HG3 ARG 28 HG3 ARG 28 9.117 -10.033 -11.346 185 HD2 ARG 28 HD2 ARG 28 11.286 -9.290 -10.966 186 HD3 ARG 28 HD3 ARG 28 11.939 -10.927 -10.912 187 HE ARG 28 HE ARG 28 11.512 -9.303 -13.249 188 HH11 ARG 28 HH11 ARG 28 11.873 -12.544 -12.030 189 HH12 ARG 28 HH12 ARG 28 12.405 -13.194 -13.544 190 HH21 ARG 28 HH21 ARG 28 12.212 -10.148 -15.249 191 HH22 ARG 28 HH22 ARG 28 12.599 -11.830 -15.374 192 H CYS 29 H CYS 29 7.963 -9.134 -10.056 193 HA CYS 29 HA CYS 29 6.048 -8.998 -7.827 194 HB2 CYS 29 HB2 CYS 29 6.451 -7.261 -10.256 195 HB3 CYS 29 HB3 CYS 29 4.972 -7.198 -9.304 196 H HIS 30 H HIS 30 4.673 -10.657 -7.928 197 HA HIS 30 HA HIS 30 3.519 -11.344 -10.551 198 HB2 HIS 30 HB2 HIS 30 4.748 -13.000 -8.578 199 HB3 HIS 30 HB3 HIS 30 3.043 -13.428 -8.671 200 HD1 HIS 30 HD1 HIS 30 5.271 -12.398 -11.559 201 HD2 HIS 30 HD2 HIS 30 3.186 -15.708 -10.161 202 HE1 HIS 30 HE1 HIS 30 5.447 -14.122 -13.381 203 HA PRO 31 HA PRO 31 -0.438 -10.155 -9.061 204 HB2 PRO 31 HB2 PRO 31 -2.022 -11.790 -10.540 205 HB3 PRO 31 HB3 PRO 31 -1.175 -10.398 -11.223 206 HG2 PRO 31 HG2 PRO 31 -0.421 -13.294 -11.293 207 HG3 PRO 31 HG3 PRO 31 -0.346 -12.087 -12.590 208 HD2 PRO 31 HD2 PRO 31 1.834 -12.836 -11.170 209 HD3 PRO 31 HD3 PRO 31 1.633 -11.196 -11.817 210 H LEU 32 H LEU 32 -2.118 -10.795 -7.694 211 HA LEU 32 HA LEU 32 -1.553 -12.863 -5.880 212 HB2 LEU 32 HB2 LEU 32 -3.948 -11.147 -6.398 213 HB3 LEU 32 HB3 LEU 32 -4.030 -12.459 -5.225 214 HG LEU 32 HG LEU 32 -2.016 -10.222 -5.077 215 HD11 LEU 32 HD11 LEU 32 -3.924 -9.010 -4.735 216 HD12 LEU 32 HD12 LEU 32 -3.633 -9.600 -3.099 217 HD13 LEU 32 HD13 LEU 32 -4.829 -10.395 -4.122 218 HD21 LEU 32 HD21 LEU 32 -1.749 -10.969 -2.782 219 HD22 LEU 32 HD22 LEU 32 -1.429 -12.295 -3.900 220 HD23 LEU 32 HD23 LEU 32 -2.962 -12.226 -3.030 221 H GLY 33 H GLY 33 -2.595 -14.847 -5.489 222 HA2 GLY 33 HA2 GLY 33 -3.110 -16.426 -7.743 223 HA3 GLY 33 HA3 GLY 33 -3.503 -16.867 -6.088 224 H LYS 34 H LYS 34 -4.990 -17.348 -8.574 225 HA LYS 34 HA LYS 34 -7.423 -15.780 -8.052 226 HB2 LYS 34 HB2 LYS 34 -8.147 -16.356 -10.277 227 HB3 LYS 34 HB3 LYS 34 -6.508 -15.724 -10.366 228 HG2 LYS 34 HG2 LYS 34 -5.623 -17.970 -10.573 229 HG3 LYS 34 HG3 LYS 34 -7.245 -18.644 -10.401 230 HD2 LYS 34 HD2 LYS 34 -7.800 -18.176 -12.534 231 HD3 LYS 34 HD3 LYS 34 -6.962 -16.623 -12.515 232 HE2 LYS 34 HE2 LYS 34 -4.898 -18.427 -12.377 233 HE3 LYS 34 HE3 LYS 34 -6.051 -19.243 -13.432 234 HZ1 LYS 34 HZ1 LYS 34 -5.059 -16.473 -13.830 235 HZ2 LYS 34 HZ2 LYS 34 -6.082 -17.331 -14.869 236 HZ3 LYS 34 HZ3 LYS 34 -4.481 -17.833 -14.653 237 H LEU 35 H LEU 35 -9.376 -17.338 -9.025 238 HA LEU 35 HA LEU 35 -9.722 -19.278 -6.964 239 HB2 LEU 35 HB2 LEU 35 -11.639 -18.090 -7.695 240 HB3 LEU 35 HB3 LEU 35 -11.347 -18.524 -9.379 241 HG LEU 35 HG LEU 35 -11.924 -20.856 -8.865 242 HD11 LEU 35 HD11 LEU 35 -11.461 -20.090 -6.227 243 HD12 LEU 35 HD12 LEU 35 -12.061 -21.647 -6.797 244 HD13 LEU 35 HD13 LEU 35 -13.198 -20.384 -6.325 245 HD21 LEU 35 HD21 LEU 35 -13.884 -20.080 -9.597 246 HD22 LEU 35 HD22 LEU 35 -13.730 -18.582 -8.680 247 HD23 LEU 35 HD23 LEU 35 -14.368 -20.030 -7.902 248 H ASN 36 H ASN 36 -9.877 -21.515 -7.123 249 HA ASN 36 HA ASN 36 -9.269 -23.593 -7.819 250 HB2 ASN 36 HB2 ASN 36 -10.099 -22.301 -10.403 251 HB3 ASN 36 HB3 ASN 36 -9.475 -23.948 -10.381 252 HD21 ASN 36 HD21 ASN 36 -12.177 -22.672 -10.895 253 HD22 ASN 36 HD22 ASN 36 -13.264 -23.596 -9.921 254 H ASN 37 H ASN 37 -7.196 -21.664 -7.416 255 HA ASN 37 HA ASN 37 -5.153 -22.779 -9.216 256 HB2 ASN 37 HB2 ASN 37 -5.836 -19.978 -8.736 257 HB3 ASN 37 HB3 ASN 37 -4.131 -20.323 -8.459 258 HD21 ASN 37 HD21 ASN 37 -6.729 -20.828 -10.805 259 HD22 ASN 37 HD22 ASN 37 -5.721 -20.727 -12.204 260 HA PRO 38 HA PRO 38 -2.839 -23.847 -5.645 261 HB2 PRO 38 HB2 PRO 38 -0.288 -23.374 -6.445 262 HB3 PRO 38 HB3 PRO 38 -1.252 -24.726 -7.055 263 HG2 PRO 38 HG2 PRO 38 -0.710 -22.064 -8.315 264 HG3 PRO 38 HG3 PRO 38 -0.714 -23.674 -9.058 265 HD2 PRO 38 HD2 PRO 38 -2.798 -21.960 -9.283 266 HD3 PRO 38 HD3 PRO 38 -3.011 -23.721 -9.241 267 H CYS 39 H CYS 39 -2.237 -22.933 -3.762 268 HA CYS 39 HA CYS 39 -1.008 -20.293 -3.734 269 HB2 CYS 39 HB2 CYS 39 -2.642 -19.288 -2.306 270 HB3 CYS 39 HB3 CYS 39 -3.505 -19.962 -3.684 271 H GLU 40 H GLU 40 -0.517 -19.646 -1.388 272 HA GLU 40 HA GLU 40 0.111 -22.034 0.213 273 HB2 GLU 40 HB2 GLU 40 2.021 -20.717 -1.157 274 HB3 GLU 40 HB3 GLU 40 2.016 -19.768 0.323 275 HG2 GLU 40 HG2 GLU 40 2.663 -21.583 1.632 276 HG3 GLU 40 HG3 GLU 40 2.208 -22.754 0.396 277 H VAL 41 H VAL 41 0.065 -21.785 2.443 278 HA VAL 41 HA VAL 41 -1.803 -20.052 3.527 279 HB VAL 41 HB VAL 41 0.512 -21.333 4.986 280 HG11 VAL 41 HG11 VAL 41 -0.869 -21.141 6.970 281 HG12 VAL 41 HG12 VAL 41 -0.614 -19.548 6.254 282 HG13 VAL 41 HG13 VAL 41 -2.153 -20.381 6.030 283 HG21 VAL 41 HG21 VAL 41 -2.173 -22.354 4.138 284 HG22 VAL 41 HG22 VAL 41 -0.590 -23.116 3.977 285 HG23 VAL 41 HG23 VAL 41 -1.363 -23.014 5.558 286 H GLU 42 H GLU 42 1.688 -19.876 4.240 287 HA GLU 42 HA GLU 42 1.542 -16.958 4.041 288 HB2 GLU 42 HB2 GLU 42 2.454 -18.525 6.447 289 HB3 GLU 42 HB3 GLU 42 2.977 -16.871 6.162 290 HG2 GLU 42 HG2 GLU 42 0.067 -17.503 6.133 291 HG3 GLU 42 HG3 GLU 42 0.913 -17.377 7.674 292 HA PRO 43 HA PRO 43 5.446 -17.257 2.062 293 HB2 PRO 43 HB2 PRO 43 6.636 -14.945 2.843 294 HB3 PRO 43 HB3 PRO 43 5.302 -14.994 1.684 295 HG2 PRO 43 HG2 PRO 43 5.246 -14.376 4.612 296 HG3 PRO 43 HG3 PRO 43 4.399 -13.566 3.281 297 HD2 PRO 43 HD2 PRO 43 3.182 -15.360 4.904 298 HD3 PRO 43 HD3 PRO 43 2.741 -15.165 3.196 299 H ASN 44 H ASN 44 7.916 -16.560 2.685 300 HA ASN 44 HA ASN 44 8.652 -18.432 4.730 301 HB2 ASN 44 HB2 ASN 44 10.627 -16.553 3.494 302 HB3 ASN 44 HB3 ASN 44 10.817 -18.251 3.922 303 HD21 ASN 44 HD21 ASN 44 11.246 -16.653 1.408 304 HD22 ASN 44 HD22 ASN 44 10.408 -17.543 0.188 305 H GLU 45 H GLU 45 10.851 -17.375 5.937 306 HA GLU 45 HA GLU 45 9.723 -15.870 8.045 307 HB2 GLU 45 HB2 GLU 45 11.898 -15.878 9.023 308 HB3 GLU 45 HB3 GLU 45 11.687 -17.430 8.223 309 HG2 GLU 45 HG2 GLU 45 13.007 -16.637 6.329 310 HG3 GLU 45 HG3 GLU 45 13.217 -15.080 7.128 311 H ASN 46 H ASN 46 11.020 -14.956 5.029 312 HA ASN 46 HA ASN 46 11.581 -12.224 5.905 313 HB2 ASN 46 HB2 ASN 46 12.238 -13.835 3.479 314 HB3 ASN 46 HB3 ASN 46 12.148 -12.083 3.318 315 HD21 ASN 46 HD21 ASN 46 13.904 -14.753 4.596 316 HD22 ASN 46 HD22 ASN 46 15.268 -13.859 5.169 317 H GLY 47 H GLY 47 9.254 -14.096 4.120 318 HA2 GLY 47 HA2 GLY 47 6.997 -13.297 3.915 319 HA3 GLY 47 HA3 GLY 47 7.628 -11.660 3.812 320 H ILE 48 H ILE 48 8.966 -14.369 2.036 321 HA ILE 48 HA ILE 48 7.911 -13.177 -0.447 322 HB ILE 48 HB ILE 48 10.538 -14.637 -0.198 323 HG12 ILE 48 HG12 ILE 48 10.023 -11.656 -0.284 324 HG13 ILE 48 HG13 ILE 48 10.604 -12.557 1.112 325 HG21 ILE 48 HG21 ILE 48 10.977 -13.649 -2.402 326 HG22 ILE 48 HG22 ILE 48 9.553 -14.690 -2.416 327 HG23 ILE 48 HG23 ILE 48 9.365 -12.936 -2.393 328 HD11 ILE 48 HD11 ILE 48 12.050 -11.540 -1.195 329 HD12 ILE 48 HD12 ILE 48 12.634 -11.981 0.410 330 HD13 ILE 48 HD13 ILE 48 12.418 -13.224 -0.823 331 H TYR 49 H TYR 49 7.272 -14.566 -2.097 332 HA TYR 49 HA TYR 49 6.733 -17.314 -1.221 333 HB2 TYR 49 HB2 TYR 49 5.432 -15.520 -3.260 334 HB3 TYR 49 HB3 TYR 49 5.129 -17.254 -3.228 335 HD1 TYR 49 HD1 TYR 49 4.927 -14.185 -1.138 336 HD2 TYR 49 HD2 TYR 49 3.524 -18.150 -1.777 337 HE1 TYR 49 HE1 TYR 49 3.196 -13.842 0.576 338 HE2 TYR 49 HE2 TYR 49 1.788 -17.818 -0.066 339 HH TYR 49 HH TYR 49 1.252 -16.451 1.770 340 H SER 50 H SER 50 6.398 -18.718 -3.426 341 HA SER 50 HA SER 50 9.077 -18.785 -4.589 342 HB2 SER 50 HB2 SER 50 7.000 -20.772 -3.991 343 HB3 SER 50 HB3 SER 50 7.772 -21.002 -5.560 344 HG SER 50 HG SER 50 9.777 -21.038 -4.506 345 H GLN 51 H GLN 51 5.965 -19.752 -5.995 346 HA GLN 51 HA GLN 51 6.577 -18.044 -8.317 347 HB2 GLN 51 HB2 GLN 51 5.276 -20.774 -8.338 348 HB3 GLN 51 HB3 GLN 51 5.524 -19.750 -9.747 349 HG2 GLN 51 HG2 GLN 51 7.817 -20.078 -9.742 350 HG3 GLN 51 HG3 GLN 51 7.839 -20.590 -8.055 351 HE21 GLN 51 HE21 GLN 51 6.622 -21.539 -11.238 352 HE22 GLN 51 HE22 GLN 51 6.784 -23.240 -10.988 353 H HIS 52 H HIS 52 3.872 -19.892 -6.897 354 HA HIS 52 HA HIS 52 1.926 -18.061 -7.947 355 HB2 HIS 52 HB2 HIS 52 1.465 -20.159 -5.827 356 HB3 HIS 52 HB3 HIS 52 0.284 -19.468 -6.935 357 HD1 HIS 52 HD1 HIS 52 1.861 -22.505 -6.459 358 HD2 HIS 52 HD2 HIS 52 1.440 -20.064 -9.796 359 HE1 HIS 52 HE1 HIS 52 2.212 -24.011 -8.442 360 H CYS 53 H CYS 53 0.434 -16.817 -6.662 361 HA CYS 53 HA CYS 53 1.706 -15.749 -4.235 362 HB2 CYS 53 HB2 CYS 53 0.030 -14.536 -6.388 363 HB3 CYS 53 HB3 CYS 53 -0.068 -13.850 -4.769 364 HA PRO 54 HA PRO 54 -1.588 -17.021 -1.634 365 HB2 PRO 54 HB2 PRO 54 -1.886 -14.888 0.020 366 HB3 PRO 54 HB3 PRO 54 -0.497 -15.979 0.099 367 HG2 PRO 54 HG2 PRO 54 -0.724 -13.292 -1.201 368 HG3 PRO 54 HG3 PRO 54 0.597 -13.952 -0.219 369 HD2 PRO 54 HD2 PRO 54 0.694 -13.870 -2.924 370 HD3 PRO 54 HD3 PRO 54 1.473 -15.156 -1.978 371 H CYS 55 H CYS 55 -3.785 -16.475 -0.849 372 HA CYS 55 HA CYS 55 -5.371 -15.420 -2.975 373 HB2 CYS 55 HB2 CYS 55 -6.082 -16.363 -0.194 374 HB3 CYS 55 HB3 CYS 55 -7.275 -15.849 -1.381 375 H GLY 56 H GLY 56 -6.029 -13.397 -3.292 376 HA2 GLY 56 HA2 GLY 56 -6.431 -11.612 -1.024 377 HA3 GLY 56 HA3 GLY 56 -5.182 -11.140 -2.167 378 H GLU 57 H GLU 57 -7.836 -12.847 -3.491 379 HA GLU 57 HA GLU 57 -9.041 -10.316 -4.399 380 HB2 GLU 57 HB2 GLU 57 -9.393 -11.259 -6.588 381 HB3 GLU 57 HB3 GLU 57 -7.692 -11.414 -6.176 382 HG2 GLU 57 HG2 GLU 57 -7.932 -13.735 -5.719 383 HG3 GLU 57 HG3 GLU 57 -9.688 -13.634 -5.835 384 H GLY 58 H GLY 58 -9.816 -12.018 -2.170 385 HA2 GLY 58 HA2 GLY 58 -11.990 -12.362 -1.329 386 HA3 GLY 58 HA3 GLY 58 -12.592 -12.445 -2.978 387 H LEU 59 H LEU 59 -9.783 -14.283 -2.190 388 HA LEU 59 HA LEU 59 -11.402 -16.736 -2.324 389 HB2 LEU 59 HB2 LEU 59 -8.461 -16.403 -2.892 390 HB3 LEU 59 HB3 LEU 59 -9.426 -17.855 -3.148 391 HG LEU 59 HG LEU 59 -10.108 -15.331 -4.603 392 HD11 LEU 59 HD11 LEU 59 -8.022 -17.328 -5.468 393 HD12 LEU 59 HD12 LEU 59 -7.705 -15.674 -4.947 394 HD13 LEU 59 HD13 LEU 59 -8.631 -15.972 -6.418 395 HD21 LEU 59 HD21 LEU 59 -10.342 -18.248 -5.334 396 HD22 LEU 59 HD22 LEU 59 -10.983 -16.878 -6.242 397 HD23 LEU 59 HD23 LEU 59 -11.638 -17.266 -4.650 398 H SER 60 H SER 60 -10.091 -18.654 -1.265 399 HA SER 60 HA SER 60 -8.795 -17.870 1.218 400 HB2 SER 60 HB2 SER 60 -11.416 -18.069 1.444 401 HB3 SER 60 HB3 SER 60 -11.071 -19.798 1.475 402 HG SER 60 HG SER 60 -10.456 -17.821 3.334 403 H CYS 61 H CYS 61 -7.063 -19.109 1.405 404 HA CYS 61 HA CYS 61 -6.473 -21.311 -0.181 405 HB2 CYS 61 HB2 CYS 61 -5.315 -20.047 2.213 406 HB3 CYS 61 HB3 CYS 61 -4.923 -21.754 2.026 407 H THR 62 H THR 62 -7.804 -23.026 -0.264 408 HA THR 62 HA THR 62 -8.416 -24.393 2.276 409 HB THR 62 HB THR 62 -10.433 -23.423 1.173 410 HG1 THR 62 HG1 THR 62 -11.630 -25.260 1.542 411 HG21 THR 62 HG21 THR 62 -11.267 -24.369 -0.881 412 HG22 THR 62 HG22 THR 62 -9.906 -25.487 -0.965 413 HG23 THR 62 HG23 THR 62 -9.639 -23.756 -1.163 414 H LYS 63 H LYS 63 -8.239 -26.625 2.337 415 HA LYS 63 HA LYS 63 -6.431 -27.762 0.390 416 HB2 LYS 63 HB2 LYS 63 -6.488 -28.100 2.992 417 HB3 LYS 63 HB3 LYS 63 -7.673 -29.343 2.610 418 HG2 LYS 63 HG2 LYS 63 -6.069 -30.505 1.232 419 HG3 LYS 63 HG3 LYS 63 -4.884 -29.219 1.479 420 HD2 LYS 63 HD2 LYS 63 -4.414 -29.876 3.615 421 HD3 LYS 63 HD3 LYS 63 -6.034 -30.523 3.888 422 HE2 LYS 63 HE2 LYS 63 -4.322 -31.875 1.873 423 HE3 LYS 63 HE3 LYS 63 -3.910 -32.090 3.574 424 HZ1 LYS 63 HZ1 LYS 63 -5.858 -33.428 2.133 425 HZ2 LYS 63 HZ2 LYS 63 -6.691 -32.417 3.203 426 HZ3 LYS 63 HZ3 LYS 63 -5.561 -33.527 3.796 427 H VAL 64 H VAL 64 -7.020 -28.890 -1.335 428 HA VAL 64 HA VAL 64 -9.657 -30.208 -1.327 429 HB VAL 64 HB VAL 64 -9.905 -29.706 -3.701 430 HG11 VAL 64 HG11 VAL 64 -10.612 -28.103 -1.809 431 HG12 VAL 64 HG12 VAL 64 -9.288 -27.087 -2.383 432 HG13 VAL 64 HG13 VAL 64 -10.615 -27.504 -3.467 433 HG21 VAL 64 HG21 VAL 64 -7.908 -27.651 -3.952 434 HG22 VAL 64 HG22 VAL 64 -7.154 -29.203 -3.593 435 HG23 VAL 64 HG23 VAL 64 -8.218 -29.042 -4.989 436 H GLY 65 H GLY 65 -6.631 -30.952 -1.022 437 HA2 GLY 65 HA2 GLY 65 -6.906 -33.484 -2.397 438 HA3 GLY 65 HA3 GLY 65 -5.611 -32.466 -3.008 439 H GLU 66 H GLU 66 -4.163 -34.173 -2.362 440 HA GLU 66 HA GLU 66 -3.138 -33.740 0.293 441 HB2 GLU 66 HB2 GLU 66 -3.120 -36.362 0.594 442 HB3 GLU 66 HB3 GLU 66 -4.494 -35.397 1.113 443 HG2 GLU 66 HG2 GLU 66 -5.703 -35.955 -0.893 444 HG3 GLU 66 HG3 GLU 66 -4.306 -36.819 -1.532 445 HA PRO 67 HA PRO 67 -1.781 -35.346 1.592 446 HB2 PRO 67 HB2 PRO 67 0.671 -34.555 2.448 447 HB3 PRO 67 HB3 PRO 67 0.315 -36.215 1.954 448 HG2 PRO 67 HG2 PRO 67 1.635 -34.020 0.404 449 HG3 PRO 67 HG3 PRO 67 2.077 -35.733 0.515 450 HD2 PRO 67 HD2 PRO 67 0.718 -34.713 -1.593 451 HD3 PRO 67 HD3 PRO 67 0.479 -36.375 -1.017 452 H ASN 68 H ASN 68 0.068 -32.708 0.077 453 HA ASN 68 HA ASN 68 -1.515 -30.804 1.670 454 HB2 ASN 68 HB2 ASN 68 0.876 -31.013 2.445 455 HB3 ASN 68 HB3 ASN 68 1.372 -30.394 0.872 456 HD21 ASN 68 HD21 ASN 68 1.701 -28.301 0.764 457 HD22 ASN 68 HD22 ASN 68 1.015 -27.105 1.804 458 H LYS 69 H LYS 69 -2.883 -30.892 -0.282 459 HA LYS 69 HA LYS 69 -1.778 -29.323 -2.513 460 HB2 LYS 69 HB2 LYS 69 -2.746 -31.612 -2.983 461 HB3 LYS 69 HB3 LYS 69 -4.315 -30.961 -2.527 462 HG2 LYS 69 HG2 LYS 69 -4.254 -29.391 -4.342 463 HG3 LYS 69 HG3 LYS 69 -2.601 -29.863 -4.745 464 HD2 LYS 69 HD2 LYS 69 -3.668 -31.170 -6.256 465 HD3 LYS 69 HD3 LYS 69 -3.789 -32.263 -4.876 466 HE2 LYS 69 HE2 LYS 69 -5.998 -30.902 -4.424 467 HE3 LYS 69 HE3 LYS 69 -5.877 -30.562 -6.150 468 HZ1 LYS 69 HZ1 LYS 69 -6.539 -32.610 -6.645 469 HZ2 LYS 69 HZ2 LYS 69 -6.970 -32.792 -5.020 470 HZ3 LYS 69 HZ3 LYS 69 -5.457 -33.326 -5.558 471 H LEU 70 H LEU 70 -2.063 -27.379 -1.212 472 HA LEU 70 HA LEU 70 -4.741 -26.554 -0.529 473 HB2 LEU 70 HB2 LEU 70 -2.275 -25.901 0.408 474 HB3 LEU 70 HB3 LEU 70 -2.627 -24.516 -0.626 475 HG LEU 70 HG LEU 70 -4.674 -24.089 0.650 476 HD11 LEU 70 HD11 LEU 70 -5.593 -25.603 1.983 477 HD12 LEU 70 HD12 LEU 70 -4.117 -25.722 2.938 478 HD13 LEU 70 HD13 LEU 70 -4.327 -26.735 1.509 479 HD21 LEU 70 HD21 LEU 70 -3.449 -23.672 2.913 480 HD22 LEU 70 HD22 LEU 70 -2.945 -22.803 1.464 481 HD23 LEU 70 HD23 LEU 70 -2.023 -24.201 2.020 482 H ARG 71 H ARG 71 -6.055 -25.199 -1.631 483 HA ARG 71 HA ARG 71 -5.031 -23.862 -4.026 484 HB2 ARG 71 HB2 ARG 71 -7.505 -25.602 -4.001 485 HB3 ARG 71 HB3 ARG 71 -6.945 -24.631 -5.356 486 HG2 ARG 71 HG2 ARG 71 -4.747 -26.074 -4.979 487 HG3 ARG 71 HG3 ARG 71 -5.927 -27.205 -4.314 488 HD2 ARG 71 HD2 ARG 71 -5.836 -26.031 -7.083 489 HD3 ARG 71 HD3 ARG 71 -5.688 -27.725 -6.619 490 HE ARG 71 HE ARG 71 -8.169 -26.846 -5.734 491 HH11 ARG 71 HH11 ARG 71 -6.498 -27.288 -8.755 492 HH12 ARG 71 HH12 ARG 71 -7.943 -27.603 -9.658 493 HH21 ARG 71 HH21 ARG 71 -10.078 -27.259 -6.910 494 HH22 ARG 71 HH22 ARG 71 -9.979 -27.585 -8.608 495 H CYS 72 H CYS 72 -6.418 -22.150 -4.807 496 HA CYS 72 HA CYS 72 -7.619 -20.691 -2.650 497 HB2 CYS 72 HB2 CYS 72 -6.897 -20.161 -5.470 498 HB3 CYS 72 HB3 CYS 72 -8.245 -19.224 -4.836 499 H GLN 73 H GLN 73 -9.754 -20.202 -2.313 500 HA GLN 73 HA GLN 73 -11.764 -21.179 -4.174 501 HB2 GLN 73 HB2 GLN 73 -11.241 -23.062 -2.596 502 HB3 GLN 73 HB3 GLN 73 -11.803 -22.039 -1.279 503 HG2 GLN 73 HG2 GLN 73 -13.452 -23.718 -2.172 504 HG3 GLN 73 HG3 GLN 73 -14.014 -22.049 -2.073 505 HE21 GLN 73 HE21 GLN 73 -11.962 -23.636 -4.474 506 HE22 GLN 73 HE22 GLN 73 -13.000 -23.332 -5.821 507 H GLU 74 H GLU 74 -13.376 -19.763 -4.336 508 HA GLU 74 HA GLU 74 -13.427 -17.316 -3.058 509 HB2 GLU 74 HB2 GLU 74 -15.684 -18.865 -4.333 510 HB3 GLU 74 HB3 GLU 74 -15.825 -17.190 -3.817 511 HG2 GLU 74 HG2 GLU 74 -13.860 -16.700 -5.333 512 HG3 GLU 74 HG3 GLU 74 -14.087 -18.321 -5.986 513 H GLU 75 H GLU 75 -13.737 -16.817 -1.000 514 HA GLU 75 HA GLU 75 -14.776 -18.617 0.912 515 HB2 GLU 75 HB2 GLU 75 -13.219 -16.482 1.134 516 HB3 GLU 75 HB3 GLU 75 -14.752 -15.684 1.453 517 HG2 GLU 75 HG2 GLU 75 -15.172 -17.084 3.338 518 HG3 GLU 75 HG3 GLU 75 -13.786 -18.102 2.954 519 H SER 76 H SER 76 -16.664 -18.307 2.269 520 HA SER 76 HA SER 76 -18.900 -17.078 0.793 521 HB2 SER 76 HB2 SER 76 -20.354 -18.806 1.637 522 HB3 SER 76 HB3 SER 76 -18.945 -19.586 0.918 523 HG SER 76 HG SER 76 -18.598 -20.464 2.782 Start of MODEL 15 1 H1 SER 1 H SER 1 2.370 -1.067 1.301 2 HA SER 1 HA SER 1 1.787 -0.883 -1.517 3 HB2 SER 1 HB2 SER 1 4.051 0.773 -0.376 4 HB3 SER 1 HB3 SER 1 3.647 0.595 -2.084 5 HG SER 1 HG SER 1 2.107 1.839 -0.054 6 H VAL 2 H VAL 2 2.895 -2.377 -2.654 7 HA VAL 2 HA VAL 2 4.486 -4.279 -1.227 8 HB VAL 2 HB VAL 2 3.018 -5.032 -3.009 9 HG11 VAL 2 HG11 VAL 2 3.003 -3.168 -4.489 10 HG12 VAL 2 HG12 VAL 2 4.741 -3.302 -4.771 11 HG13 VAL 2 HG13 VAL 2 3.649 -4.542 -5.388 12 HG21 VAL 2 HG21 VAL 2 5.890 -5.429 -3.835 13 HG22 VAL 2 HG22 VAL 2 5.110 -6.280 -2.502 14 HG23 VAL 2 HG23 VAL 2 4.532 -6.509 -4.152 15 H THR 3 H THR 3 6.657 -4.653 -1.314 16 HA THR 3 HA THR 3 8.303 -2.894 -2.992 17 HB THR 3 HB THR 3 8.898 -3.391 -0.070 18 HG1 THR 3 HG1 THR 3 7.812 -1.618 0.355 19 HG21 THR 3 HG21 THR 3 10.579 -2.654 -2.143 20 HG22 THR 3 HG22 THR 3 10.880 -2.414 -0.423 21 HG23 THR 3 HG23 THR 3 10.159 -1.121 -1.381 22 H CYS 4 H CYS 4 9.293 -4.312 -4.287 23 HA CYS 4 HA CYS 4 10.648 -6.606 -3.029 24 HB2 CYS 4 HB2 CYS 4 9.505 -6.617 -5.825 25 HB3 CYS 4 HB3 CYS 4 10.158 -7.983 -4.927 26 H GLY 5 H GLY 5 12.708 -7.082 -3.734 27 HA2 GLY 5 HA2 GLY 5 14.807 -6.582 -4.523 28 HA3 GLY 5 HA3 GLY 5 13.981 -6.206 -6.027 29 H GLY 6 H GLY 6 13.796 -4.569 -2.881 30 HA2 GLY 6 HA2 GLY 6 14.209 -2.390 -2.291 31 HA3 GLY 6 HA3 GLY 6 15.512 -2.437 -3.468 32 H LYS 7 H LYS 7 12.349 -3.096 -4.632 33 HA LYS 7 HA LYS 7 12.020 -0.321 -5.534 34 HB2 LYS 7 HB2 LYS 7 12.091 -2.799 -7.234 35 HB3 LYS 7 HB3 LYS 7 11.219 -1.365 -7.758 36 HG2 LYS 7 HG2 LYS 7 13.446 -0.134 -7.312 37 HG3 LYS 7 HG3 LYS 7 14.157 -1.749 -7.366 38 HD2 LYS 7 HD2 LYS 7 12.909 -2.009 -9.593 39 HD3 LYS 7 HD3 LYS 7 12.707 -0.258 -9.534 40 HE2 LYS 7 HE2 LYS 7 15.121 0.032 -9.421 41 HE3 LYS 7 HE3 LYS 7 15.346 -1.717 -9.411 42 HZ1 LYS 7 HZ1 LYS 7 13.900 -0.415 -11.625 43 HZ2 LYS 7 HZ2 LYS 7 14.720 -1.894 -11.612 44 HZ3 LYS 7 HZ3 LYS 7 15.592 -0.445 -11.614 45 H GLN 8 H GLN 8 9.934 0.395 -5.669 46 HA GLN 8 HA GLN 8 7.937 -1.238 -4.366 47 HB2 GLN 8 HB2 GLN 8 8.170 1.621 -5.174 48 HB3 GLN 8 HB3 GLN 8 6.556 0.956 -4.957 49 HG2 GLN 8 HG2 GLN 8 6.846 0.621 -2.701 50 HG3 GLN 8 HG3 GLN 8 8.603 0.558 -2.830 51 HE21 GLN 8 HE21 GLN 8 9.282 2.135 -1.537 52 HE22 GLN 8 HE22 GLN 8 8.786 3.787 -1.630 53 H CYS 9 H CYS 9 5.929 -1.827 -5.237 54 HA CYS 9 HA CYS 9 5.659 -1.604 -8.153 55 HB2 CYS 9 HB2 CYS 9 5.906 -4.060 -6.529 56 HB3 CYS 9 HB3 CYS 9 4.615 -4.072 -7.726 57 H LYS 10 H LYS 10 3.372 -2.634 -8.736 58 HA LYS 10 HA LYS 10 1.450 -0.963 -7.439 59 HB2 LYS 10 HB2 LYS 10 1.479 -2.816 -9.753 60 HB3 LYS 10 HB3 LYS 10 -0.081 -2.545 -8.989 61 HG2 LYS 10 HG2 LYS 10 0.421 -0.058 -9.232 62 HG3 LYS 10 HG3 LYS 10 1.716 -0.551 -10.325 63 HD2 LYS 10 HD2 LYS 10 -1.091 -1.541 -10.702 64 HD3 LYS 10 HD3 LYS 10 -0.588 0.032 -11.325 65 HE2 LYS 10 HE2 LYS 10 1.256 -1.102 -12.541 66 HE3 LYS 10 HE3 LYS 10 0.616 -2.651 -11.996 67 HZ1 LYS 10 HZ1 LYS 10 -1.497 -2.043 -13.122 68 HZ2 LYS 10 HZ2 LYS 10 -0.191 -2.242 -14.180 69 HZ3 LYS 10 HZ3 LYS 10 -0.721 -0.688 -13.774 70 HA PRO 11 HA PRO 11 -0.292 -3.650 -4.440 71 HB2 PRO 11 HB2 PRO 11 -2.947 -3.126 -4.653 72 HB3 PRO 11 HB3 PRO 11 -1.795 -1.982 -3.954 73 HG2 PRO 11 HG2 PRO 11 -2.961 -2.050 -6.710 74 HG3 PRO 11 HG3 PRO 11 -2.707 -0.662 -5.636 75 HD2 PRO 11 HD2 PRO 11 -1.030 -1.250 -7.680 76 HD3 PRO 11 HD3 PRO 11 -0.471 -0.497 -6.171 77 H ASN 12 H ASN 12 -2.006 -5.367 -4.095 78 HA ASN 12 HA ASN 12 -2.927 -7.372 -4.647 79 HB2 ASN 12 HB2 ASN 12 -3.206 -6.301 -7.458 80 HB3 ASN 12 HB3 ASN 12 -4.173 -7.552 -6.681 81 HD21 ASN 12 HD21 ASN 12 -3.774 -4.219 -7.242 82 HD22 ASN 12 HD22 ASN 12 -5.121 -3.663 -6.311 83 H SER 13 H SER 13 -0.037 -6.818 -5.012 84 HA SER 13 HA SER 13 0.569 -9.197 -6.601 85 HB2 SER 13 HB2 SER 13 2.291 -8.155 -7.871 86 HB3 SER 13 HB3 SER 13 0.890 -7.093 -8.001 87 HG SER 13 HG SER 13 2.267 -5.637 -7.354 88 H CYS 14 H CYS 14 1.665 -10.535 -5.343 89 HA CYS 14 HA CYS 14 3.067 -9.537 -3.006 90 HB2 CYS 14 HB2 CYS 14 3.164 -11.794 -2.274 91 HB3 CYS 14 HB3 CYS 14 1.576 -11.593 -3.007 92 H CYS 15 H CYS 15 5.232 -10.565 -2.486 93 HA CYS 15 HA CYS 15 6.982 -10.169 -4.787 94 HB2 CYS 15 HB2 CYS 15 7.706 -10.512 -1.870 95 HB3 CYS 15 HB3 CYS 15 8.784 -9.990 -3.161 96 H VAL 16 H VAL 16 8.162 -11.734 -5.722 97 HA VAL 16 HA VAL 16 8.251 -14.377 -4.430 98 HB VAL 16 HB VAL 16 8.076 -15.356 -6.772 99 HG11 VAL 16 HG11 VAL 16 6.141 -15.912 -5.811 100 HG12 VAL 16 HG12 VAL 16 5.996 -14.345 -5.011 101 HG13 VAL 16 HG13 VAL 16 5.443 -14.542 -6.675 102 HG21 VAL 16 HG21 VAL 16 7.446 -14.105 -8.564 103 HG22 VAL 16 HG22 VAL 16 6.558 -12.941 -7.581 104 HG23 VAL 16 HG23 VAL 16 8.318 -12.860 -7.670 105 H GLN 17 H GLN 17 10.161 -15.439 -4.556 106 HA GLN 17 HA GLN 17 12.401 -13.976 -5.716 107 HB2 GLN 17 HB2 GLN 17 12.393 -14.914 -3.344 108 HB3 GLN 17 HB3 GLN 17 12.550 -16.503 -4.081 109 HG2 GLN 17 HG2 GLN 17 14.742 -16.146 -3.873 110 HG3 GLN 17 HG3 GLN 17 14.549 -15.153 -5.317 111 HE21 GLN 17 HE21 GLN 17 15.383 -13.206 -5.191 112 HE22 GLN 17 HE22 GLN 17 15.627 -12.289 -3.747 113 H ASN 18 H ASN 18 13.477 -14.592 -7.487 114 HA ASN 18 HA ASN 18 12.972 -17.286 -8.562 115 HB2 ASN 18 HB2 ASN 18 13.111 -14.727 -10.173 116 HB3 ASN 18 HB3 ASN 18 12.909 -16.348 -10.830 117 HD21 ASN 18 HD21 ASN 18 10.927 -17.246 -10.884 118 HD22 ASN 18 HD22 ASN 18 9.490 -16.469 -10.320 119 H SER 19 H SER 19 15.135 -16.979 -7.057 120 HA SER 19 HA SER 19 17.418 -16.134 -8.611 121 HB2 SER 19 HB2 SER 19 17.702 -15.728 -6.320 122 HB3 SER 19 HB3 SER 19 17.051 -17.303 -5.864 123 HG SER 19 HG SER 19 19.238 -17.448 -5.637 124 H HIS 20 H HIS 20 18.828 -17.391 -9.708 125 HA HIS 20 HA HIS 20 18.125 -20.226 -9.987 126 HB2 HIS 20 HB2 HIS 20 19.506 -18.249 -11.771 127 HB3 HIS 20 HB3 HIS 20 19.750 -19.976 -12.015 128 HD1 HIS 20 HD1 HIS 20 18.413 -20.474 -14.049 129 HD2 HIS 20 HD2 HIS 20 16.303 -18.159 -11.320 130 HE1 HIS 20 HE1 HIS 20 16.085 -20.289 -14.982 131 H GLY 21 H GLY 21 19.725 -19.050 -7.771 132 HA2 GLY 21 HA2 GLY 21 21.447 -19.907 -6.480 133 HA3 GLY 21 HA3 GLY 21 21.812 -21.032 -7.781 134 H LYS 22 H LYS 22 21.616 -17.641 -8.465 135 HA LYS 22 HA LYS 22 24.405 -17.629 -9.242 136 HB2 LYS 22 HB2 LYS 22 22.457 -16.576 -10.546 137 HB3 LYS 22 HB3 LYS 22 22.525 -15.280 -9.360 138 HG2 LYS 22 HG2 LYS 22 23.868 -14.397 -10.964 139 HG3 LYS 22 HG3 LYS 22 25.079 -15.277 -10.028 140 HD2 LYS 22 HD2 LYS 22 25.053 -17.098 -11.581 141 HD3 LYS 22 HD3 LYS 22 23.667 -16.416 -12.437 142 HE2 LYS 22 HE2 LYS 22 25.265 -14.362 -12.750 143 HE3 LYS 22 HE3 LYS 22 26.526 -15.556 -12.450 144 HZ1 LYS 22 HZ1 LYS 22 25.835 -16.816 -14.311 145 HZ2 LYS 22 HZ2 LYS 22 25.932 -15.212 -14.836 146 HZ3 LYS 22 HZ3 LYS 22 24.423 -15.905 -14.510 147 H GLY 23 H GLY 23 22.407 -16.387 -6.673 148 HA2 GLY 23 HA2 GLY 23 23.392 -15.869 -4.544 149 HA3 GLY 23 HA3 GLY 23 24.836 -15.330 -5.389 150 H LYS 24 H LYS 24 21.922 -14.319 -6.823 151 HA LYS 24 HA LYS 24 22.161 -11.682 -5.530 152 HB2 LYS 24 HB2 LYS 24 21.987 -12.438 -8.404 153 HB3 LYS 24 HB3 LYS 24 21.150 -10.976 -7.897 154 HG2 LYS 24 HG2 LYS 24 24.000 -11.384 -7.120 155 HG3 LYS 24 HG3 LYS 24 23.601 -10.855 -8.756 156 HD2 LYS 24 HD2 LYS 24 22.385 -9.453 -6.415 157 HD3 LYS 24 HD3 LYS 24 24.051 -9.097 -6.872 158 HE2 LYS 24 HE2 LYS 24 21.715 -8.971 -8.772 159 HE3 LYS 24 HE3 LYS 24 22.341 -7.581 -7.889 160 HZ1 LYS 24 HZ1 LYS 24 23.556 -7.356 -9.758 161 HZ2 LYS 24 HZ2 LYS 24 23.472 -8.995 -10.165 162 HZ3 LYS 24 HZ3 LYS 24 24.574 -8.470 -8.994 163 H ASP 25 H ASP 25 20.489 -11.927 -4.090 164 HA ASP 25 HA ASP 25 17.969 -13.040 -4.730 165 HB2 ASP 25 HB2 ASP 25 18.776 -11.152 -2.508 166 HB3 ASP 25 HB3 ASP 25 17.220 -11.973 -2.605 167 H SER 26 H SER 26 17.068 -12.132 -6.540 168 HA SER 26 HA SER 26 16.157 -9.352 -6.241 169 HB2 SER 26 HB2 SER 26 16.481 -9.002 -8.664 170 HB3 SER 26 HB3 SER 26 18.003 -9.359 -7.850 171 HG SER 26 HG SER 26 18.092 -11.280 -8.806 172 HA PRO 27 HA PRO 27 12.523 -12.080 -6.918 173 HB2 PRO 27 HB2 PRO 27 10.880 -10.634 -5.313 174 HB3 PRO 27 HB3 PRO 27 11.969 -11.883 -4.697 175 HG2 PRO 27 HG2 PRO 27 12.325 -8.911 -4.737 176 HG3 PRO 27 HG3 PRO 27 12.686 -10.064 -3.439 177 HD2 PRO 27 HD2 PRO 27 14.600 -9.064 -5.074 178 HD3 PRO 27 HD3 PRO 27 14.687 -10.700 -4.389 179 H ARG 28 H ARG 28 10.393 -11.557 -7.806 180 HA ARG 28 HA ARG 28 10.348 -8.959 -9.195 181 HB2 ARG 28 HB2 ARG 28 9.387 -10.044 -11.143 182 HB3 ARG 28 HB3 ARG 28 10.920 -10.802 -10.735 183 HG2 ARG 28 HG2 ARG 28 9.970 -12.787 -10.350 184 HG3 ARG 28 HG3 ARG 28 8.604 -12.075 -9.490 185 HD2 ARG 28 HD2 ARG 28 7.439 -12.749 -11.294 186 HD3 ARG 28 HD3 ARG 28 8.075 -11.270 -12.012 187 HE ARG 28 HE ARG 28 9.833 -13.491 -12.371 188 HH11 ARG 28 HH11 ARG 28 6.956 -11.953 -13.590 189 HH12 ARG 28 HH12 ARG 28 7.134 -12.595 -15.189 190 HH21 ARG 28 HH21 ARG 28 10.077 -14.342 -14.473 191 HH22 ARG 28 HH22 ARG 28 8.908 -13.954 -15.691 192 H CYS 29 H CYS 29 8.043 -8.578 -10.135 193 HA CYS 29 HA CYS 29 6.185 -8.915 -7.901 194 HB2 CYS 29 HB2 CYS 29 5.838 -7.149 -10.327 195 HB3 CYS 29 HB3 CYS 29 4.967 -7.059 -8.799 196 H HIS 30 H HIS 30 4.436 -10.175 -8.009 197 HA HIS 30 HA HIS 30 3.535 -11.114 -10.646 198 HB2 HIS 30 HB2 HIS 30 4.762 -12.691 -8.614 199 HB3 HIS 30 HB3 HIS 30 3.069 -13.164 -8.717 200 HD1 HIS 30 HD1 HIS 30 5.362 -12.176 -11.576 201 HD2 HIS 30 HD2 HIS 30 3.232 -15.456 -10.172 202 HE1 HIS 30 HE1 HIS 30 5.589 -13.937 -13.356 203 HA PRO 31 HA PRO 31 -0.493 -9.996 -9.292 204 HB2 PRO 31 HB2 PRO 31 -1.989 -11.694 -10.793 205 HB3 PRO 31 HB3 PRO 31 -1.157 -10.289 -11.472 206 HG2 PRO 31 HG2 PRO 31 -0.329 -13.166 -11.475 207 HG3 PRO 31 HG3 PRO 31 -0.246 -11.976 -12.787 208 HD2 PRO 31 HD2 PRO 31 1.909 -12.648 -11.291 209 HD3 PRO 31 HD3 PRO 31 1.687 -11.023 -11.969 210 H LEU 32 H LEU 32 -2.257 -10.695 -8.030 211 HA LEU 32 HA LEU 32 -1.676 -12.724 -6.153 212 HB2 LEU 32 HB2 LEU 32 -4.065 -11.027 -6.742 213 HB3 LEU 32 HB3 LEU 32 -4.192 -12.354 -5.590 214 HG LEU 32 HG LEU 32 -2.203 -10.104 -5.336 215 HD11 LEU 32 HD11 LEU 32 -5.024 -10.363 -4.386 216 HD12 LEU 32 HD12 LEU 32 -4.198 -8.970 -5.082 217 HD13 LEU 32 HD13 LEU 32 -3.842 -9.470 -3.430 218 HD21 LEU 32 HD21 LEU 32 -1.582 -12.145 -4.170 219 HD22 LEU 32 HD22 LEU 32 -3.166 -12.207 -3.398 220 HD23 LEU 32 HD23 LEU 32 -2.051 -10.893 -3.020 221 H GLY 33 H GLY 33 -2.842 -14.675 -5.719 222 HA2 GLY 33 HA2 GLY 33 -3.233 -16.291 -8.003 223 HA3 GLY 33 HA3 GLY 33 -3.644 -16.732 -6.352 224 H LYS 34 H LYS 34 -5.166 -17.465 -8.600 225 HA LYS 34 HA LYS 34 -7.600 -15.846 -8.221 226 HB2 LYS 34 HB2 LYS 34 -8.309 -16.483 -10.429 227 HB3 LYS 34 HB3 LYS 34 -6.672 -15.847 -10.536 228 HG2 LYS 34 HG2 LYS 34 -5.767 -18.070 -10.713 229 HG3 LYS 34 HG3 LYS 34 -7.364 -18.776 -10.454 230 HD2 LYS 34 HD2 LYS 34 -7.122 -18.878 -12.762 231 HD3 LYS 34 HD3 LYS 34 -8.048 -17.394 -12.533 232 HE2 LYS 34 HE2 LYS 34 -6.388 -16.795 -14.062 233 HE3 LYS 34 HE3 LYS 34 -5.775 -16.209 -12.516 234 HZ1 LYS 34 HZ1 LYS 34 -4.029 -17.312 -13.711 235 HZ2 LYS 34 HZ2 LYS 34 -4.965 -18.707 -13.902 236 HZ3 LYS 34 HZ3 LYS 34 -4.435 -18.249 -12.362 237 H LEU 35 H LEU 35 -9.560 -17.401 -9.056 238 HA LEU 35 HA LEU 35 -9.837 -19.324 -6.977 239 HB2 LEU 35 HB2 LEU 35 -11.764 -18.125 -7.720 240 HB3 LEU 35 HB3 LEU 35 -11.530 -18.672 -9.379 241 HG LEU 35 HG LEU 35 -12.157 -20.926 -8.761 242 HD11 LEU 35 HD11 LEU 35 -11.600 -19.972 -6.107 243 HD12 LEU 35 HD12 LEU 35 -11.817 -21.625 -6.684 244 HD13 LEU 35 HD13 LEU 35 -13.217 -20.674 -6.188 245 HD21 LEU 35 HD21 LEU 35 -14.133 -18.947 -7.633 246 HD22 LEU 35 HD22 LEU 35 -14.487 -20.558 -8.258 247 HD23 LEU 35 HD23 LEU 35 -13.917 -19.294 -9.348 248 H ASN 36 H ASN 36 -9.847 -21.542 -7.052 249 HA ASN 36 HA ASN 36 -9.255 -23.630 -7.734 250 HB2 ASN 36 HB2 ASN 36 -9.929 -22.588 -10.494 251 HB3 ASN 36 HB3 ASN 36 -9.792 -24.280 -10.030 252 HD21 ASN 36 HD21 ASN 36 -12.038 -22.651 -11.106 253 HD22 ASN 36 HD22 ASN 36 -13.344 -22.915 -10.007 254 H ASN 37 H ASN 37 -7.187 -21.757 -7.405 255 HA ASN 37 HA ASN 37 -5.224 -22.810 -9.323 256 HB2 ASN 37 HB2 ASN 37 -5.929 -20.029 -8.818 257 HB3 ASN 37 HB3 ASN 37 -4.214 -20.334 -8.563 258 HD21 ASN 37 HD21 ASN 37 -6.820 -20.960 -10.876 259 HD22 ASN 37 HD22 ASN 37 -5.837 -20.810 -12.289 260 HA PRO 38 HA PRO 38 -2.735 -23.887 -5.874 261 HB2 PRO 38 HB2 PRO 38 -0.230 -23.385 -6.790 262 HB3 PRO 38 HB3 PRO 38 -1.210 -24.739 -7.366 263 HG2 PRO 38 HG2 PRO 38 -0.751 -22.063 -8.626 264 HG3 PRO 38 HG3 PRO 38 -0.776 -23.666 -9.383 265 HD2 PRO 38 HD2 PRO 38 -2.883 -21.970 -9.494 266 HD3 PRO 38 HD3 PRO 38 -3.079 -23.734 -9.456 267 H CYS 39 H CYS 39 -2.363 -22.885 -4.004 268 HA CYS 39 HA CYS 39 -0.932 -20.350 -3.954 269 HB2 CYS 39 HB2 CYS 39 -2.589 -19.174 -2.687 270 HB3 CYS 39 HB3 CYS 39 -3.386 -19.819 -4.118 271 H GLU 40 H GLU 40 -0.486 -19.673 -1.643 272 HA GLU 40 HA GLU 40 -0.220 -22.034 0.097 273 HB2 GLU 40 HB2 GLU 40 1.896 -20.990 -1.171 274 HB3 GLU 40 HB3 GLU 40 1.870 -19.927 0.229 275 HG2 GLU 40 HG2 GLU 40 3.358 -21.818 0.572 276 HG3 GLU 40 HG3 GLU 40 2.015 -21.842 1.713 277 H VAL 41 H VAL 41 -0.253 -21.646 2.343 278 HA VAL 41 HA VAL 41 -2.086 -19.759 3.237 279 HB VAL 41 HB VAL 41 0.083 -21.053 4.893 280 HG11 VAL 41 HG11 VAL 41 -1.106 -19.163 5.966 281 HG12 VAL 41 HG12 VAL 41 -2.627 -20.020 5.719 282 HG13 VAL 41 HG13 VAL 41 -1.389 -20.707 6.771 283 HG21 VAL 41 HG21 VAL 41 -1.082 -22.790 3.752 284 HG22 VAL 41 HG22 VAL 41 -1.709 -22.739 5.399 285 HG23 VAL 41 HG23 VAL 41 -2.644 -22.040 4.078 286 H GLU 42 H GLU 42 1.399 -19.744 4.014 287 HA GLU 42 HA GLU 42 1.393 -16.827 3.741 288 HB2 GLU 42 HB2 GLU 42 2.237 -18.390 6.171 289 HB3 GLU 42 HB3 GLU 42 2.866 -16.781 5.846 290 HG2 GLU 42 HG2 GLU 42 0.434 -16.038 5.710 291 HG3 GLU 42 HG3 GLU 42 0.043 -17.596 6.437 292 HA PRO 43 HA PRO 43 5.259 -17.348 1.733 293 HB2 PRO 43 HB2 PRO 43 6.570 -15.087 2.463 294 HB3 PRO 43 HB3 PRO 43 5.224 -15.089 1.319 295 HG2 PRO 43 HG2 PRO 43 5.229 -14.421 4.237 296 HG3 PRO 43 HG3 PRO 43 4.409 -13.591 2.900 297 HD2 PRO 43 HD2 PRO 43 3.122 -15.296 4.565 298 HD3 PRO 43 HD3 PRO 43 2.674 -15.107 2.857 299 H ASN 44 H ASN 44 7.768 -16.752 2.328 300 HA ASN 44 HA ASN 44 8.453 -18.653 4.348 301 HB2 ASN 44 HB2 ASN 44 10.464 -16.779 3.159 302 HB3 ASN 44 HB3 ASN 44 10.634 -18.483 3.570 303 HD21 ASN 44 HD21 ASN 44 11.135 -16.907 1.079 304 HD22 ASN 44 HD22 ASN 44 10.280 -17.760 -0.156 305 H GLU 45 H GLU 45 10.665 -17.668 5.594 306 HA GLU 45 HA GLU 45 9.539 -16.164 7.716 307 HB2 GLU 45 HB2 GLU 45 11.713 -16.258 8.729 308 HB3 GLU 45 HB3 GLU 45 11.400 -17.808 7.962 309 HG2 GLU 45 HG2 GLU 45 12.686 -16.767 5.956 310 HG3 GLU 45 HG3 GLU 45 13.312 -15.660 7.177 311 H ASN 46 H ASN 46 10.885 -15.254 4.738 312 HA ASN 46 HA ASN 46 11.605 -12.578 5.672 313 HB2 ASN 46 HB2 ASN 46 12.160 -14.169 3.209 314 HB3 ASN 46 HB3 ASN 46 12.166 -12.413 3.084 315 HD21 ASN 46 HD21 ASN 46 14.064 -15.018 3.568 316 HD22 ASN 46 HD22 ASN 46 15.367 -14.284 4.432 317 H GLY 47 H GLY 47 9.168 -14.277 3.860 318 HA2 GLY 47 HA2 GLY 47 6.959 -13.351 3.683 319 HA3 GLY 47 HA3 GLY 47 7.679 -11.749 3.620 320 H ILE 48 H ILE 48 8.858 -14.481 1.767 321 HA ILE 48 HA ILE 48 7.809 -13.208 -0.676 322 HB ILE 48 HB ILE 48 10.471 -14.611 -0.429 323 HG12 ILE 48 HG12 ILE 48 9.887 -11.653 -0.697 324 HG13 ILE 48 HG13 ILE 48 10.410 -12.447 0.785 325 HG21 ILE 48 HG21 ILE 48 10.866 -13.686 -2.678 326 HG22 ILE 48 HG22 ILE 48 9.504 -14.805 -2.639 327 HG23 ILE 48 HG23 ILE 48 9.215 -13.066 -2.693 328 HD11 ILE 48 HD11 ILE 48 12.327 -13.218 -1.006 329 HD12 ILE 48 HD12 ILE 48 11.957 -11.570 -1.515 330 HD13 ILE 48 HD13 ILE 48 12.464 -11.889 0.144 331 H TYR 49 H TYR 49 7.156 -14.561 -2.347 332 HA TYR 49 HA TYR 49 6.650 -17.332 -1.530 333 HB2 TYR 49 HB2 TYR 49 5.314 -15.495 -3.505 334 HB3 TYR 49 HB3 TYR 49 5.036 -17.233 -3.536 335 HD1 TYR 49 HD1 TYR 49 4.730 -14.211 -1.408 336 HD2 TYR 49 HD2 TYR 49 3.525 -18.243 -2.034 337 HE1 TYR 49 HE1 TYR 49 3.005 -13.959 0.328 338 HE2 TYR 49 HE2 TYR 49 1.797 -18.002 -0.301 339 HH TYR 49 HH TYR 49 1.186 -16.675 1.517 340 H SER 50 H SER 50 6.304 -18.688 -3.765 341 HA SER 50 HA SER 50 8.977 -18.735 -4.935 342 HB2 SER 50 HB2 SER 50 6.836 -20.713 -4.478 343 HB3 SER 50 HB3 SER 50 7.710 -20.902 -5.997 344 HG SER 50 HG SER 50 9.262 -21.736 -4.875 345 H GLN 51 H GLN 51 5.861 -19.605 -6.393 346 HA GLN 51 HA GLN 51 6.509 -17.818 -8.644 347 HB2 GLN 51 HB2 GLN 51 5.714 -20.673 -8.604 348 HB3 GLN 51 HB3 GLN 51 4.985 -19.674 -9.854 349 HG2 GLN 51 HG2 GLN 51 7.418 -18.919 -10.318 350 HG3 GLN 51 HG3 GLN 51 7.853 -20.380 -9.435 351 HE21 GLN 51 HE21 GLN 51 6.484 -22.342 -10.186 352 HE22 GLN 51 HE22 GLN 51 6.406 -22.561 -11.898 353 H HIS 52 H HIS 52 3.777 -19.677 -7.294 354 HA HIS 52 HA HIS 52 1.856 -17.791 -8.291 355 HB2 HIS 52 HB2 HIS 52 1.440 -20.014 -6.284 356 HB3 HIS 52 HB3 HIS 52 0.194 -19.193 -7.219 357 HD1 HIS 52 HD1 HIS 52 0.370 -19.595 -9.901 358 HD2 HIS 52 HD2 HIS 52 2.446 -22.247 -7.467 359 HE1 HIS 52 HE1 HIS 52 0.857 -21.594 -11.346 360 H CYS 53 H CYS 53 0.277 -16.703 -6.880 361 HA CYS 53 HA CYS 53 1.589 -15.677 -4.450 362 HB2 CYS 53 HB2 CYS 53 -0.109 -14.381 -6.542 363 HB3 CYS 53 HB3 CYS 53 -0.161 -13.749 -4.899 364 HA PRO 54 HA PRO 54 -1.706 -17.049 -1.899 365 HB2 PRO 54 HB2 PRO 54 -1.988 -14.987 -0.155 366 HB3 PRO 54 HB3 PRO 54 -0.605 -16.087 -0.126 367 HG2 PRO 54 HG2 PRO 54 -0.820 -13.346 -1.310 368 HG3 PRO 54 HG3 PRO 54 0.499 -14.054 -0.360 369 HD2 PRO 54 HD2 PRO 54 0.590 -13.857 -3.059 370 HD3 PRO 54 HD3 PRO 54 1.365 -15.186 -2.172 371 H CYS 55 H CYS 55 -3.897 -16.522 -1.083 372 HA CYS 55 HA CYS 55 -5.509 -15.443 -3.154 373 HB2 CYS 55 HB2 CYS 55 -6.186 -16.263 -0.322 374 HB3 CYS 55 HB3 CYS 55 -7.384 -15.805 -1.529 375 H GLY 56 H GLY 56 -6.148 -13.420 -3.506 376 HA2 GLY 56 HA2 GLY 56 -6.428 -11.562 -1.277 377 HA3 GLY 56 HA3 GLY 56 -5.222 -11.147 -2.486 378 H GLU 57 H GLU 57 -7.999 -12.840 -3.591 379 HA GLU 57 HA GLU 57 -9.194 -10.318 -4.532 380 HB2 GLU 57 HB2 GLU 57 -9.620 -11.271 -6.688 381 HB3 GLU 57 HB3 GLU 57 -7.915 -11.498 -6.328 382 HG2 GLU 57 HG2 GLU 57 -8.273 -13.804 -5.790 383 HG3 GLU 57 HG3 GLU 57 -10.018 -13.611 -5.935 384 H GLY 58 H GLY 58 -9.849 -12.087 -2.256 385 HA2 GLY 58 HA2 GLY 58 -11.999 -12.364 -1.307 386 HA3 GLY 58 HA3 GLY 58 -12.676 -12.452 -2.926 387 H LEU 59 H LEU 59 -9.852 -14.309 -2.207 388 HA LEU 59 HA LEU 59 -11.498 -16.749 -2.258 389 HB2 LEU 59 HB2 LEU 59 -8.590 -16.445 -2.985 390 HB3 LEU 59 HB3 LEU 59 -9.574 -17.895 -3.168 391 HG LEU 59 HG LEU 59 -10.357 -15.402 -4.615 392 HD11 LEU 59 HD11 LEU 59 -7.936 -15.729 -5.025 393 HD12 LEU 59 HD12 LEU 59 -8.927 -15.944 -6.467 394 HD13 LEU 59 HD13 LEU 59 -8.289 -17.352 -5.618 395 HD21 LEU 59 HD21 LEU 59 -11.792 -17.444 -4.548 396 HD22 LEU 59 HD22 LEU 59 -10.509 -18.311 -5.391 397 HD23 LEU 59 HD23 LEU 59 -11.311 -16.946 -6.170 398 H SER 60 H SER 60 -10.208 -18.670 -1.228 399 HA SER 60 HA SER 60 -8.764 -17.872 1.174 400 HB2 SER 60 HB2 SER 60 -11.414 -18.120 1.460 401 HB3 SER 60 HB3 SER 60 -10.970 -19.819 1.622 402 HG SER 60 HG SER 60 -10.998 -18.441 3.597 403 H CYS 61 H CYS 61 -7.009 -19.093 1.213 404 HA CYS 61 HA CYS 61 -6.543 -21.337 -0.353 405 HB2 CYS 61 HB2 CYS 61 -5.197 -19.989 1.880 406 HB3 CYS 61 HB3 CYS 61 -4.842 -21.710 1.772 407 H THR 62 H THR 62 -7.799 -23.095 -0.296 408 HA THR 62 HA THR 62 -8.296 -24.346 2.328 409 HB THR 62 HB THR 62 -10.364 -23.498 1.214 410 HG1 THR 62 HG1 THR 62 -10.194 -26.338 1.427 411 HG21 THR 62 HG21 THR 62 -11.219 -24.667 -0.748 412 HG22 THR 62 HG22 THR 62 -9.749 -25.640 -0.826 413 HG23 THR 62 HG23 THR 62 -9.673 -23.901 -1.113 414 H LYS 63 H LYS 63 -7.785 -26.459 2.581 415 HA LYS 63 HA LYS 63 -6.043 -27.673 0.679 416 HB2 LYS 63 HB2 LYS 63 -5.642 -28.095 2.998 417 HB3 LYS 63 HB3 LYS 63 -7.285 -28.671 3.241 418 HG2 LYS 63 HG2 LYS 63 -6.839 -30.634 1.913 419 HG3 LYS 63 HG3 LYS 63 -5.222 -30.040 1.528 420 HD2 LYS 63 HD2 LYS 63 -4.434 -30.416 3.676 421 HD3 LYS 63 HD3 LYS 63 -6.053 -30.395 4.381 422 HE2 LYS 63 HE2 LYS 63 -6.393 -32.511 2.867 423 HE3 LYS 63 HE3 LYS 63 -4.633 -32.585 2.935 424 HZ1 LYS 63 HZ1 LYS 63 -4.691 -33.319 5.020 425 HZ2 LYS 63 HZ2 LYS 63 -6.343 -33.598 4.791 426 HZ3 LYS 63 HZ3 LYS 63 -5.820 -32.157 5.506 427 H VAL 64 H VAL 64 -6.548 -28.898 -1.008 428 HA VAL 64 HA VAL 64 -9.220 -30.143 -1.087 429 HB VAL 64 HB VAL 64 -9.197 -29.943 -3.497 430 HG11 VAL 64 HG11 VAL 64 -8.354 -27.233 -2.550 431 HG12 VAL 64 HG12 VAL 64 -9.660 -27.677 -3.651 432 HG13 VAL 64 HG13 VAL 64 -9.819 -27.982 -1.920 433 HG21 VAL 64 HG21 VAL 64 -6.485 -28.670 -3.150 434 HG22 VAL 64 HG22 VAL 64 -6.822 -30.228 -3.903 435 HG23 VAL 64 HG23 VAL 64 -7.390 -28.741 -4.662 436 H GLY 65 H GLY 65 -5.826 -30.636 -1.270 437 HA2 GLY 65 HA2 GLY 65 -6.306 -33.497 -1.776 438 HA3 GLY 65 HA3 GLY 65 -5.064 -32.651 -2.687 439 H GLU 66 H GLU 66 -3.534 -34.158 -1.823 440 HA GLU 66 HA GLU 66 -2.568 -33.329 0.812 441 HB2 GLU 66 HB2 GLU 66 -1.969 -35.888 1.073 442 HB3 GLU 66 HB3 GLU 66 -3.534 -35.264 1.574 443 HG2 GLU 66 HG2 GLU 66 -4.525 -36.011 -0.512 444 HG3 GLU 66 HG3 GLU 66 -2.956 -36.595 -1.062 445 HA PRO 67 HA PRO 67 -0.915 -34.622 2.123 446 HB2 PRO 67 HB2 PRO 67 1.278 -33.322 3.056 447 HB3 PRO 67 HB3 PRO 67 1.313 -35.008 2.527 448 HG2 PRO 67 HG2 PRO 67 2.144 -32.541 1.048 449 HG3 PRO 67 HG3 PRO 67 2.955 -34.116 1.143 450 HD2 PRO 67 HD2 PRO 67 1.450 -33.379 -0.984 451 HD3 PRO 67 HD3 PRO 67 1.575 -35.064 -0.440 452 H ASN 68 H ASN 68 0.457 -31.588 0.836 453 HA ASN 68 HA ASN 68 -1.627 -30.127 2.318 454 HB2 ASN 68 HB2 ASN 68 0.713 -29.896 3.273 455 HB3 ASN 68 HB3 ASN 68 1.148 -29.062 1.784 456 HD21 ASN 68 HD21 ASN 68 1.482 -27.051 2.507 457 HD22 ASN 68 HD22 ASN 68 0.294 -26.081 3.303 458 H LYS 69 H LYS 69 -2.224 -30.902 -0.169 459 HA LYS 69 HA LYS 69 -1.435 -28.972 -2.147 460 HB2 LYS 69 HB2 LYS 69 -2.044 -31.326 -2.696 461 HB3 LYS 69 HB3 LYS 69 -3.704 -30.969 -2.237 462 HG2 LYS 69 HG2 LYS 69 -4.022 -29.537 -4.060 463 HG3 LYS 69 HG3 LYS 69 -2.288 -29.401 -4.364 464 HD2 LYS 69 HD2 LYS 69 -2.367 -31.924 -4.820 465 HD3 LYS 69 HD3 LYS 69 -4.118 -31.717 -4.918 466 HE2 LYS 69 HE2 LYS 69 -3.990 -30.423 -6.825 467 HE3 LYS 69 HE3 LYS 69 -2.332 -29.919 -6.498 468 HZ1 LYS 69 HZ1 LYS 69 -1.737 -31.469 -7.952 469 HZ2 LYS 69 HZ2 LYS 69 -3.281 -32.157 -7.994 470 HZ3 LYS 69 HZ3 LYS 69 -2.177 -32.630 -6.802 471 H LEU 70 H LEU 70 -2.039 -27.054 -0.914 472 HA LEU 70 HA LEU 70 -4.841 -26.544 -0.454 473 HB2 LEU 70 HB2 LEU 70 -2.286 -25.187 0.099 474 HB3 LEU 70 HB3 LEU 70 -3.666 -24.126 -0.174 475 HG LEU 70 HG LEU 70 -4.859 -25.152 1.671 476 HD11 LEU 70 HD11 LEU 70 -3.510 -26.743 3.148 477 HD12 LEU 70 HD12 LEU 70 -2.492 -26.993 1.730 478 HD13 LEU 70 HD13 LEU 70 -4.208 -27.395 1.665 479 HD21 LEU 70 HD21 LEU 70 -2.418 -23.686 1.895 480 HD22 LEU 70 HD22 LEU 70 -2.565 -24.780 3.271 481 HD23 LEU 70 HD23 LEU 70 -3.850 -23.622 2.923 482 H ARG 71 H ARG 71 -6.110 -24.989 -1.507 483 HA ARG 71 HA ARG 71 -5.067 -23.783 -3.947 484 HB2 ARG 71 HB2 ARG 71 -7.474 -25.615 -3.914 485 HB3 ARG 71 HB3 ARG 71 -6.986 -24.617 -5.277 486 HG2 ARG 71 HG2 ARG 71 -4.709 -25.921 -4.950 487 HG3 ARG 71 HG3 ARG 71 -5.788 -27.115 -4.224 488 HD2 ARG 71 HD2 ARG 71 -5.852 -26.003 -7.018 489 HD3 ARG 71 HD3 ARG 71 -5.602 -27.674 -6.519 490 HE ARG 71 HE ARG 71 -8.085 -26.995 -5.566 491 HH11 ARG 71 HH11 ARG 71 -6.532 -27.088 -8.681 492 HH12 ARG 71 HH12 ARG 71 -7.996 -27.421 -9.546 493 HH21 ARG 71 HH21 ARG 71 -10.019 -27.433 -6.693 494 HH22 ARG 71 HH22 ARG 71 -9.979 -27.616 -8.414 495 H CYS 72 H CYS 72 -6.357 -22.056 -4.752 496 HA CYS 72 HA CYS 72 -7.652 -20.560 -2.706 497 HB2 CYS 72 HB2 CYS 72 -6.855 -20.141 -5.504 498 HB3 CYS 72 HB3 CYS 72 -8.304 -19.262 -5.027 499 H GLN 73 H GLN 73 -9.778 -20.206 -2.311 500 HA GLN 73 HA GLN 73 -11.787 -21.209 -4.162 501 HB2 GLN 73 HB2 GLN 73 -11.149 -23.069 -2.552 502 HB3 GLN 73 HB3 GLN 73 -11.840 -22.078 -1.275 503 HG2 GLN 73 HG2 GLN 73 -13.352 -23.843 -2.181 504 HG3 GLN 73 HG3 GLN 73 -14.006 -22.206 -2.224 505 HE21 GLN 73 HE21 GLN 73 -11.706 -23.801 -4.382 506 HE22 GLN 73 HE22 GLN 73 -12.665 -23.640 -5.811 507 H GLU 74 H GLU 74 -13.447 -19.844 -4.283 508 HA GLU 74 HA GLU 74 -13.546 -17.407 -2.991 509 HB2 GLU 74 HB2 GLU 74 -15.967 -17.356 -3.699 510 HB3 GLU 74 HB3 GLU 74 -14.813 -17.695 -4.981 511 HG2 GLU 74 HG2 GLU 74 -15.868 -19.568 -5.474 512 HG3 GLU 74 HG3 GLU 74 -15.634 -20.162 -3.831 513 H GLU 75 H GLU 75 -13.880 -16.892 -0.942 514 HA GLU 75 HA GLU 75 -14.761 -18.722 1.011 515 HB2 GLU 75 HB2 GLU 75 -13.359 -16.512 1.214 516 HB3 GLU 75 HB3 GLU 75 -14.933 -15.766 1.445 517 HG2 GLU 75 HG2 GLU 75 -15.334 -17.400 3.299 518 HG3 GLU 75 HG3 GLU 75 -13.650 -17.893 3.135 519 H SER 76 H SER 76 -16.655 -18.591 2.361 520 HA SER 76 HA SER 76 -19.038 -18.069 0.792 521 HB2 SER 76 HB2 SER 76 -20.101 -18.999 3.016 522 HB3 SER 76 HB3 SER 76 -19.281 -20.089 1.899 523 HG SER 76 HG SER 76 -18.733 -20.080 4.298 Start of MODEL 16 1 H1 SER 1 H SER 1 2.157 -0.067 1.318 2 HA SER 1 HA SER 1 2.209 -0.035 -1.624 3 HB2 SER 1 HB2 SER 1 4.448 1.022 0.072 4 HB3 SER 1 HB3 SER 1 3.970 1.492 -1.559 5 HG SER 1 HG SER 1 2.951 2.297 0.904 6 H VAL 2 H VAL 2 3.110 -1.706 -2.612 7 HA VAL 2 HA VAL 2 4.523 -3.720 -1.107 8 HB VAL 2 HB VAL 2 4.078 -3.615 -4.091 9 HG11 VAL 2 HG11 VAL 2 4.786 -5.835 -2.183 10 HG12 VAL 2 HG12 VAL 2 4.242 -6.108 -3.839 11 HG13 VAL 2 HG13 VAL 2 5.740 -5.226 -3.534 12 HG21 VAL 2 HG21 VAL 2 1.904 -3.568 -3.356 13 HG22 VAL 2 HG22 VAL 2 2.204 -5.306 -3.363 14 HG23 VAL 2 HG23 VAL 2 2.278 -4.404 -1.850 15 H THR 3 H THR 3 6.659 -4.310 -1.296 16 HA THR 3 HA THR 3 8.393 -2.748 -3.059 17 HB THR 3 HB THR 3 9.072 -3.075 -0.137 18 HG1 THR 3 HG1 THR 3 8.042 -1.257 0.263 19 HG21 THR 3 HG21 THR 3 10.797 -1.454 -0.592 20 HG22 THR 3 HG22 THR 3 10.208 -1.230 -2.239 21 HG23 THR 3 HG23 THR 3 10.932 -2.765 -1.762 22 H CYS 4 H CYS 4 9.509 -4.189 -4.186 23 HA CYS 4 HA CYS 4 10.633 -6.514 -2.782 24 HB2 CYS 4 HB2 CYS 4 9.499 -6.635 -5.580 25 HB3 CYS 4 HB3 CYS 4 10.097 -7.978 -4.611 26 H GLY 5 H GLY 5 12.736 -6.884 -3.174 27 HA2 GLY 5 HA2 GLY 5 14.841 -6.671 -4.067 28 HA3 GLY 5 HA3 GLY 5 14.062 -6.298 -5.597 29 H GLY 6 H GLY 6 13.276 -4.315 -2.890 30 HA2 GLY 6 HA2 GLY 6 14.217 -2.267 -2.197 31 HA3 GLY 6 HA3 GLY 6 15.309 -2.329 -3.573 32 H LYS 7 H LYS 7 12.862 -3.019 -5.271 33 HA LYS 7 HA LYS 7 12.064 -0.232 -5.706 34 HB2 LYS 7 HB2 LYS 7 12.246 -2.653 -7.447 35 HB3 LYS 7 HB3 LYS 7 11.099 -1.391 -7.877 36 HG2 LYS 7 HG2 LYS 7 13.208 0.157 -7.535 37 HG3 LYS 7 HG3 LYS 7 14.067 -1.345 -7.883 38 HD2 LYS 7 HD2 LYS 7 11.815 -0.527 -9.657 39 HD3 LYS 7 HD3 LYS 7 13.368 0.297 -9.817 40 HE2 LYS 7 HE2 LYS 7 13.261 -2.690 -9.755 41 HE3 LYS 7 HE3 LYS 7 12.861 -1.829 -11.241 42 HZ1 LYS 7 HZ1 LYS 7 15.153 -0.638 -10.481 43 HZ2 LYS 7 HZ2 LYS 7 15.051 -1.902 -11.599 44 HZ3 LYS 7 HZ3 LYS 7 15.423 -2.232 -9.983 45 H GLN 8 H GLN 8 9.888 0.357 -5.982 46 HA GLN 8 HA GLN 8 8.028 -1.357 -4.528 47 HB2 GLN 8 HB2 GLN 8 8.183 1.543 -5.163 48 HB3 GLN 8 HB3 GLN 8 6.581 0.847 -4.963 49 HG2 GLN 8 HG2 GLN 8 6.906 0.381 -2.740 50 HG3 GLN 8 HG3 GLN 8 8.660 0.320 -2.899 51 HE21 GLN 8 HE21 GLN 8 9.278 1.782 -1.425 52 HE22 GLN 8 HE22 GLN 8 8.824 3.448 -1.439 53 H CYS 9 H CYS 9 6.019 -1.990 -5.337 54 HA CYS 9 HA CYS 9 5.599 -1.611 -8.223 55 HB2 CYS 9 HB2 CYS 9 5.775 -4.171 -6.686 56 HB3 CYS 9 HB3 CYS 9 4.666 -4.075 -8.049 57 H LYS 10 H LYS 10 3.336 -2.337 -8.863 58 HA LYS 10 HA LYS 10 1.449 -0.867 -7.373 59 HB2 LYS 10 HB2 LYS 10 1.376 -2.644 -9.753 60 HB3 LYS 10 HB3 LYS 10 -0.149 -2.364 -8.922 61 HG2 LYS 10 HG2 LYS 10 0.259 0.084 -9.148 62 HG3 LYS 10 HG3 LYS 10 1.667 -0.297 -10.142 63 HD2 LYS 10 HD2 LYS 10 -1.095 -1.312 -10.775 64 HD3 LYS 10 HD3 LYS 10 -0.484 0.229 -11.382 65 HE2 LYS 10 HE2 LYS 10 1.358 -0.916 -12.482 66 HE3 LYS 10 HE3 LYS 10 0.811 -2.459 -11.829 67 HZ1 LYS 10 HZ1 LYS 10 -0.674 -2.671 -13.448 68 HZ2 LYS 10 HZ2 LYS 10 0.092 -1.381 -14.230 69 HZ3 LYS 10 HZ3 LYS 10 -1.257 -1.095 -13.251 70 HA PRO 11 HA PRO 11 -0.169 -3.683 -4.424 71 HB2 PRO 11 HB2 PRO 11 -2.832 -3.166 -4.514 72 HB3 PRO 11 HB3 PRO 11 -1.660 -2.045 -3.813 73 HG2 PRO 11 HG2 PRO 11 -2.930 -2.007 -6.524 74 HG3 PRO 11 HG3 PRO 11 -2.640 -0.662 -5.405 75 HD2 PRO 11 HD2 PRO 11 -1.040 -1.157 -7.532 76 HD3 PRO 11 HD3 PRO 11 -0.427 -0.463 -6.017 77 H ASN 12 H ASN 12 -1.970 -5.369 -4.098 78 HA ASN 12 HA ASN 12 -2.917 -7.348 -4.699 79 HB2 ASN 12 HB2 ASN 12 -3.161 -6.233 -7.493 80 HB3 ASN 12 HB3 ASN 12 -4.171 -7.454 -6.723 81 HD21 ASN 12 HD21 ASN 12 -3.539 -4.094 -7.112 82 HD22 ASN 12 HD22 ASN 12 -4.914 -3.513 -6.241 83 H SER 13 H SER 13 -0.009 -6.800 -5.073 84 HA SER 13 HA SER 13 0.566 -9.176 -6.680 85 HB2 SER 13 HB2 SER 13 2.303 -8.134 -7.943 86 HB3 SER 13 HB3 SER 13 0.891 -7.087 -8.084 87 HG SER 13 HG SER 13 1.980 -6.066 -6.087 88 H CYS 14 H CYS 14 1.675 -10.529 -5.450 89 HA CYS 14 HA CYS 14 3.110 -9.549 -3.121 90 HB2 CYS 14 HB2 CYS 14 3.187 -11.810 -2.390 91 HB3 CYS 14 HB3 CYS 14 1.588 -11.577 -3.089 92 H CYS 15 H CYS 15 5.265 -10.607 -2.627 93 HA CYS 15 HA CYS 15 7.000 -10.213 -4.933 94 HB2 CYS 15 HB2 CYS 15 7.825 -10.728 -2.075 95 HB3 CYS 15 HB3 CYS 15 8.802 -10.035 -3.365 96 H VAL 16 H VAL 16 8.164 -11.772 -5.911 97 HA VAL 16 HA VAL 16 8.146 -14.466 -4.724 98 HB VAL 16 HB VAL 16 8.002 -15.348 -7.099 99 HG11 VAL 16 HG11 VAL 16 5.944 -15.837 -6.429 100 HG12 VAL 16 HG12 VAL 16 5.972 -14.481 -5.300 101 HG13 VAL 16 HG13 VAL 16 5.401 -14.242 -6.951 102 HG21 VAL 16 HG21 VAL 16 6.814 -12.660 -7.730 103 HG22 VAL 16 HG22 VAL 16 8.498 -13.050 -8.080 104 HG23 VAL 16 HG23 VAL 16 7.202 -13.976 -8.838 105 H GLN 17 H GLN 17 10.041 -15.540 -4.782 106 HA GLN 17 HA GLN 17 12.336 -14.133 -5.919 107 HB2 GLN 17 HB2 GLN 17 12.144 -15.092 -3.490 108 HB3 GLN 17 HB3 GLN 17 12.558 -16.617 -4.261 109 HG2 GLN 17 HG2 GLN 17 14.644 -15.935 -3.746 110 HG3 GLN 17 HG3 GLN 17 14.487 -15.116 -5.300 111 HE21 GLN 17 HE21 GLN 17 15.213 -13.126 -5.255 112 HE22 GLN 17 HE22 GLN 17 15.127 -12.032 -3.920 113 H ASN 18 H ASN 18 13.223 -14.748 -7.770 114 HA ASN 18 HA ASN 18 12.909 -17.544 -8.631 115 HB2 ASN 18 HB2 ASN 18 11.495 -15.593 -9.804 116 HB3 ASN 18 HB3 ASN 18 12.988 -15.436 -10.727 117 HD21 ASN 18 HD21 ASN 18 10.157 -17.265 -10.191 118 HD22 ASN 18 HD22 ASN 18 10.440 -18.479 -11.387 119 H SER 19 H SER 19 15.133 -16.610 -7.274 120 HA SER 19 HA SER 19 17.200 -15.747 -9.034 121 HB2 SER 19 HB2 SER 19 18.710 -16.400 -7.124 122 HB3 SER 19 HB3 SER 19 17.429 -15.267 -6.691 123 HG SER 19 HG SER 19 17.941 -17.604 -5.597 124 H HIS 20 H HIS 20 19.061 -16.955 -9.693 125 HA HIS 20 HA HIS 20 18.449 -19.797 -10.158 126 HB2 HIS 20 HB2 HIS 20 18.808 -18.032 -12.085 127 HB3 HIS 20 HB3 HIS 20 20.511 -18.323 -11.747 128 HD1 HIS 20 HD1 HIS 20 21.523 -20.451 -12.641 129 HD2 HIS 20 HD2 HIS 20 17.388 -20.345 -13.028 130 HE1 HIS 20 HE1 HIS 20 20.930 -22.430 -14.076 131 H GLY 21 H GLY 21 19.759 -18.594 -7.777 132 HA2 GLY 21 HA2 GLY 21 21.396 -19.333 -6.329 133 HA3 GLY 21 HA3 GLY 21 21.886 -20.498 -7.550 134 H LYS 22 H LYS 22 21.710 -17.101 -8.283 135 HA LYS 22 HA LYS 22 24.544 -17.083 -8.884 136 HB2 LYS 22 HB2 LYS 22 22.606 -16.022 -10.266 137 HB3 LYS 22 HB3 LYS 22 22.746 -14.692 -9.122 138 HG2 LYS 22 HG2 LYS 22 24.105 -14.001 -10.845 139 HG3 LYS 22 HG3 LYS 22 25.261 -14.750 -9.742 140 HD2 LYS 22 HD2 LYS 22 25.912 -15.735 -11.697 141 HD3 LYS 22 HD3 LYS 22 24.689 -16.898 -11.180 142 HE2 LYS 22 HE2 LYS 22 24.150 -16.515 -13.409 143 HE3 LYS 22 HE3 LYS 22 23.052 -15.444 -12.541 144 HZ1 LYS 22 HZ1 LYS 22 25.538 -14.175 -13.145 145 HZ2 LYS 22 HZ2 LYS 22 23.961 -13.671 -13.494 146 HZ3 LYS 22 HZ3 LYS 22 24.764 -14.726 -14.545 147 H GLY 23 H GLY 23 22.360 -15.772 -6.491 148 HA2 GLY 23 HA2 GLY 23 23.237 -15.281 -4.289 149 HA3 GLY 23 HA3 GLY 23 24.703 -14.695 -5.060 150 H LYS 24 H LYS 24 21.834 -13.771 -6.637 151 HA LYS 24 HA LYS 24 21.955 -11.120 -5.354 152 HB2 LYS 24 HB2 LYS 24 21.809 -11.916 -8.227 153 HB3 LYS 24 HB3 LYS 24 20.981 -10.446 -7.729 154 HG2 LYS 24 HG2 LYS 24 23.842 -10.892 -6.988 155 HG3 LYS 24 HG3 LYS 24 23.408 -10.305 -8.596 156 HD2 LYS 24 HD2 LYS 24 22.459 -8.337 -7.744 157 HD3 LYS 24 HD3 LYS 24 22.358 -8.992 -6.108 158 HE2 LYS 24 HE2 LYS 24 24.155 -7.470 -6.071 159 HE3 LYS 24 HE3 LYS 24 24.891 -9.070 -6.134 160 HZ1 LYS 24 HZ1 LYS 24 24.414 -7.469 -8.575 161 HZ2 LYS 24 HZ2 LYS 24 25.438 -8.800 -8.379 162 HZ3 LYS 24 HZ3 LYS 24 25.834 -7.317 -7.669 163 H ASP 25 H ASP 25 20.254 -11.249 -3.973 164 HA ASP 25 HA ASP 25 17.801 -12.526 -4.536 165 HB2 ASP 25 HB2 ASP 25 18.473 -10.375 -2.519 166 HB3 ASP 25 HB3 ASP 25 16.958 -11.274 -2.552 167 H SER 26 H SER 26 16.911 -11.858 -6.457 168 HA SER 26 HA SER 26 15.933 -9.081 -6.504 169 HB2 SER 26 HB2 SER 26 17.659 -9.199 -8.168 170 HB3 SER 26 HB3 SER 26 17.022 -10.716 -8.803 171 HG SER 26 HG SER 26 15.376 -9.657 -9.735 172 HA PRO 27 HA PRO 27 12.295 -11.882 -6.647 173 HB2 PRO 27 HB2 PRO 27 10.696 -10.214 -5.223 174 HB3 PRO 27 HB3 PRO 27 11.811 -11.355 -4.463 175 HG2 PRO 27 HG2 PRO 27 12.149 -8.422 -4.960 176 HG3 PRO 27 HG3 PRO 27 12.558 -9.367 -3.516 177 HD2 PRO 27 HD2 PRO 27 14.411 -8.623 -5.344 178 HD3 PRO 27 HD3 PRO 27 14.531 -10.137 -4.426 179 H ARG 28 H ARG 28 10.106 -11.469 -7.491 180 HA ARG 28 HA ARG 28 9.998 -9.109 -9.250 181 HB2 ARG 28 HB2 ARG 28 10.411 -11.616 -10.186 182 HB3 ARG 28 HB3 ARG 28 8.654 -11.569 -10.189 183 HG2 ARG 28 HG2 ARG 28 9.932 -9.201 -11.346 184 HG3 ARG 28 HG3 ARG 28 10.237 -10.706 -12.215 185 HD2 ARG 28 HD2 ARG 28 8.045 -10.978 -12.792 186 HD3 ARG 28 HD3 ARG 28 7.452 -10.137 -11.360 187 HE ARG 28 HE ARG 28 7.546 -8.154 -12.517 188 HH11 ARG 28 HH11 ARG 28 9.235 -10.625 -14.295 189 HH12 ARG 28 HH12 ARG 28 9.413 -9.661 -15.722 190 HH21 ARG 28 HH21 ARG 28 7.773 -6.873 -14.391 191 HH22 ARG 28 HH22 ARG 28 8.581 -7.526 -15.775 192 H CYS 29 H CYS 29 7.794 -8.546 -9.960 193 HA CYS 29 HA CYS 29 5.919 -8.900 -7.745 194 HB2 CYS 29 HB2 CYS 29 5.649 -7.020 -10.093 195 HB3 CYS 29 HB3 CYS 29 4.793 -6.950 -8.556 196 H HIS 30 H HIS 30 4.606 -10.594 -7.944 197 HA HIS 30 HA HIS 30 3.504 -11.216 -10.603 198 HB2 HIS 30 HB2 HIS 30 4.664 -12.872 -8.593 199 HB3 HIS 30 HB3 HIS 30 2.965 -13.309 -8.745 200 HD1 HIS 30 HD1 HIS 30 5.449 -12.339 -11.459 201 HD2 HIS 30 HD2 HIS 30 3.007 -15.505 -10.328 202 HE1 HIS 30 HE1 HIS 30 5.653 -14.039 -13.303 203 HA PRO 31 HA PRO 31 -0.520 -10.055 -9.276 204 HB2 PRO 31 HB2 PRO 31 -2.029 -11.686 -10.836 205 HB3 PRO 31 HB3 PRO 31 -1.161 -10.283 -11.471 206 HG2 PRO 31 HG2 PRO 31 -0.389 -13.175 -11.532 207 HG3 PRO 31 HG3 PRO 31 -0.264 -11.957 -12.813 208 HD2 PRO 31 HD2 PRO 31 1.856 -12.707 -11.306 209 HD3 PRO 31 HD3 PRO 31 1.676 -11.061 -11.948 210 H LEU 32 H LEU 32 -2.154 -10.669 -7.889 211 HA LEU 32 HA LEU 32 -1.691 -12.742 -6.093 212 HB2 LEU 32 HB2 LEU 32 -4.122 -11.118 -6.748 213 HB3 LEU 32 HB3 LEU 32 -4.183 -12.394 -5.534 214 HG LEU 32 HG LEU 32 -2.288 -10.053 -5.406 215 HD11 LEU 32 HD11 LEU 32 -5.106 -10.357 -4.503 216 HD12 LEU 32 HD12 LEU 32 -4.268 -8.943 -5.142 217 HD13 LEU 32 HD13 LEU 32 -3.978 -9.464 -3.482 218 HD21 LEU 32 HD21 LEU 32 -1.567 -11.997 -4.146 219 HD22 LEU 32 HD22 LEU 32 -3.148 -12.109 -3.372 220 HD23 LEU 32 HD23 LEU 32 -2.102 -10.724 -3.049 221 H GLY 33 H GLY 33 -2.731 -14.740 -5.733 222 HA2 GLY 33 HA2 GLY 33 -3.140 -16.300 -8.055 223 HA3 GLY 33 HA3 GLY 33 -3.472 -16.807 -6.405 224 H LYS 34 H LYS 34 -4.982 -17.264 -8.899 225 HA LYS 34 HA LYS 34 -7.469 -15.817 -8.318 226 HB2 LYS 34 HB2 LYS 34 -8.199 -16.370 -10.508 227 HB3 LYS 34 HB3 LYS 34 -6.523 -15.866 -10.666 228 HG2 LYS 34 HG2 LYS 34 -5.837 -18.224 -10.732 229 HG3 LYS 34 HG3 LYS 34 -7.534 -18.702 -10.634 230 HD2 LYS 34 HD2 LYS 34 -6.636 -16.827 -12.782 231 HD3 LYS 34 HD3 LYS 34 -6.350 -18.560 -12.954 232 HE2 LYS 34 HE2 LYS 34 -8.428 -18.746 -13.726 233 HE3 LYS 34 HE3 LYS 34 -9.000 -18.336 -12.110 234 HZ1 LYS 34 HZ1 LYS 34 -9.347 -16.881 -14.442 235 HZ2 LYS 34 HZ2 LYS 34 -8.269 -15.986 -13.493 236 HZ3 LYS 34 HZ3 LYS 34 -9.780 -16.424 -12.871 237 H LEU 35 H LEU 35 -9.374 -17.487 -9.232 238 HA LEU 35 HA LEU 35 -9.614 -19.372 -7.101 239 HB2 LEU 35 HB2 LEU 35 -11.587 -18.277 -7.832 240 HB3 LEU 35 HB3 LEU 35 -11.309 -18.754 -9.506 241 HG LEU 35 HG LEU 35 -11.746 -21.110 -8.851 242 HD11 LEU 35 HD11 LEU 35 -12.393 -21.746 -6.742 243 HD12 LEU 35 HD12 LEU 35 -12.915 -20.124 -6.293 244 HD13 LEU 35 HD13 LEU 35 -11.195 -20.507 -6.369 245 HD21 LEU 35 HD21 LEU 35 -14.224 -19.971 -7.938 246 HD22 LEU 35 HD22 LEU 35 -13.845 -20.745 -9.477 247 HD23 LEU 35 HD23 LEU 35 -13.554 -19.018 -9.261 248 H ASN 36 H ASN 36 -9.702 -21.620 -7.200 249 HA ASN 36 HA ASN 36 -9.056 -23.699 -7.857 250 HB2 ASN 36 HB2 ASN 36 -10.043 -22.451 -10.375 251 HB3 ASN 36 HB3 ASN 36 -9.151 -23.964 -10.510 252 HD21 ASN 36 HD21 ASN 36 -11.377 -22.829 -8.008 253 HD22 ASN 36 HD22 ASN 36 -12.513 -24.118 -8.189 254 H ASN 37 H ASN 37 -7.109 -21.424 -7.730 255 HA ASN 37 HA ASN 37 -5.005 -22.570 -9.446 256 HB2 ASN 37 HB2 ASN 37 -5.797 -19.830 -8.930 257 HB3 ASN 37 HB3 ASN 37 -4.104 -20.086 -8.517 258 HD21 ASN 37 HD21 ASN 37 -6.383 -21.008 -11.080 259 HD22 ASN 37 HD22 ASN 37 -5.301 -20.689 -12.388 260 HA PRO 38 HA PRO 38 -2.641 -23.730 -5.937 261 HB2 PRO 38 HB2 PRO 38 -0.109 -23.155 -6.729 262 HB3 PRO 38 HB3 PRO 38 -1.040 -24.502 -7.392 263 HG2 PRO 38 HG2 PRO 38 -0.576 -21.775 -8.536 264 HG3 PRO 38 HG3 PRO 38 -0.543 -23.350 -9.350 265 HD2 PRO 38 HD2 PRO 38 -2.673 -21.685 -9.489 266 HD3 PRO 38 HD3 PRO 38 -2.839 -23.452 -9.522 267 H CYS 39 H CYS 39 -2.470 -22.753 -4.028 268 HA CYS 39 HA CYS 39 -1.061 -20.203 -3.826 269 HB2 CYS 39 HB2 CYS 39 -2.795 -19.118 -2.586 270 HB3 CYS 39 HB3 CYS 39 -3.525 -19.741 -4.063 271 H GLU 40 H GLU 40 -0.620 -19.620 -1.526 272 HA GLU 40 HA GLU 40 -0.439 -22.011 0.183 273 HB2 GLU 40 HB2 GLU 40 1.728 -21.111 -1.034 274 HB3 GLU 40 HB3 GLU 40 1.712 -19.941 0.278 275 HG2 GLU 40 HG2 GLU 40 3.137 -21.810 0.829 276 HG3 GLU 40 HG3 GLU 40 1.741 -21.764 1.905 277 H VAL 41 H VAL 41 -0.306 -21.584 2.469 278 HA VAL 41 HA VAL 41 -2.154 -19.677 3.364 279 HB VAL 41 HB VAL 41 -0.017 -20.984 5.050 280 HG11 VAL 41 HG11 VAL 41 -1.227 -20.400 6.889 281 HG12 VAL 41 HG12 VAL 41 -1.663 -19.054 5.835 282 HG13 VAL 41 HG13 VAL 41 -2.763 -20.421 6.024 283 HG21 VAL 41 HG21 VAL 41 -0.941 -22.883 4.228 284 HG22 VAL 41 HG22 VAL 41 -2.164 -22.537 5.449 285 HG23 VAL 41 HG23 VAL 41 -2.444 -22.084 3.768 286 H GLU 42 H GLU 42 1.360 -19.756 4.001 287 HA GLU 42 HA GLU 42 1.409 -16.836 3.817 288 HB2 GLU 42 HB2 GLU 42 2.291 -18.468 6.188 289 HB3 GLU 42 HB3 GLU 42 2.941 -16.864 5.877 290 HG2 GLU 42 HG2 GLU 42 0.521 -16.074 5.830 291 HG3 GLU 42 HG3 GLU 42 0.123 -17.639 6.539 292 HA PRO 43 HA PRO 43 5.198 -17.405 1.682 293 HB2 PRO 43 HB2 PRO 43 6.584 -15.189 2.416 294 HB3 PRO 43 HB3 PRO 43 5.204 -15.137 1.313 295 HG2 PRO 43 HG2 PRO 43 5.311 -14.529 4.243 296 HG3 PRO 43 HG3 PRO 43 4.472 -13.654 2.948 297 HD2 PRO 43 HD2 PRO 43 3.196 -15.362 4.617 298 HD3 PRO 43 HD3 PRO 43 2.701 -15.129 2.928 299 H ASN 44 H ASN 44 7.738 -16.877 2.212 300 HA ASN 44 HA ASN 44 8.444 -18.838 4.163 301 HB2 ASN 44 HB2 ASN 44 10.451 -16.959 2.972 302 HB3 ASN 44 HB3 ASN 44 10.610 -18.674 3.337 303 HD21 ASN 44 HD21 ASN 44 11.039 -17.012 0.872 304 HD22 ASN 44 HD22 ASN 44 10.151 -17.837 -0.360 305 H GLU 45 H GLU 45 10.701 -17.927 5.381 306 HA GLU 45 HA GLU 45 9.650 -16.463 7.571 307 HB2 GLU 45 HB2 GLU 45 11.807 -16.674 8.559 308 HB3 GLU 45 HB3 GLU 45 11.504 -18.165 7.677 309 HG2 GLU 45 HG2 GLU 45 12.903 -17.389 5.848 310 HG3 GLU 45 HG3 GLU 45 13.179 -15.867 6.692 311 H ASN 46 H ASN 46 10.943 -15.497 4.590 312 HA ASN 46 HA ASN 46 11.749 -12.866 5.581 313 HB2 ASN 46 HB2 ASN 46 12.169 -14.361 3.019 314 HB3 ASN 46 HB3 ASN 46 12.300 -12.605 3.027 315 HD21 ASN 46 HD21 ASN 46 13.984 -15.403 3.330 316 HD22 ASN 46 HD22 ASN 46 15.362 -14.820 4.195 317 H GLY 47 H GLY 47 9.235 -14.457 3.777 318 HA2 GLY 47 HA2 GLY 47 7.043 -13.476 3.682 319 HA3 GLY 47 HA3 GLY 47 7.799 -11.890 3.642 320 H ILE 48 H ILE 48 8.870 -14.599 1.692 321 HA ILE 48 HA ILE 48 7.782 -13.247 -0.691 322 HB ILE 48 HB ILE 48 10.413 -14.721 -0.611 323 HG12 ILE 48 HG12 ILE 48 9.924 -11.735 -0.561 324 HG13 ILE 48 HG13 ILE 48 10.500 -12.692 0.800 325 HG21 ILE 48 HG21 ILE 48 9.092 -12.968 -2.676 326 HG22 ILE 48 HG22 ILE 48 10.759 -13.532 -2.772 327 HG23 ILE 48 HG23 ILE 48 9.433 -14.694 -2.798 328 HD11 ILE 48 HD11 ILE 48 12.435 -11.763 -0.039 329 HD12 ILE 48 HD12 ILE 48 12.418 -13.357 -0.794 330 HD13 ILE 48 HD13 ILE 48 11.917 -11.940 -1.715 331 H TYR 49 H TYR 49 7.193 -14.577 -2.446 332 HA TYR 49 HA TYR 49 6.615 -17.348 -1.662 333 HB2 TYR 49 HB2 TYR 49 5.303 -15.459 -3.605 334 HB3 TYR 49 HB3 TYR 49 4.996 -17.191 -3.656 335 HD1 TYR 49 HD1 TYR 49 4.686 -14.162 -1.556 336 HD2 TYR 49 HD2 TYR 49 3.532 -18.221 -2.099 337 HE1 TYR 49 HE1 TYR 49 2.971 -13.902 0.188 338 HE2 TYR 49 HE2 TYR 49 1.813 -17.971 -0.357 339 HH TYR 49 HH TYR 49 1.270 -16.586 1.509 340 H SER 50 H SER 50 6.247 -18.659 -3.918 341 HA SER 50 HA SER 50 8.913 -18.687 -5.117 342 HB2 SER 50 HB2 SER 50 6.823 -20.697 -4.595 343 HB3 SER 50 HB3 SER 50 7.642 -20.876 -6.146 344 HG SER 50 HG SER 50 8.540 -21.819 -4.003 345 H GLN 51 H GLN 51 5.778 -19.606 -6.505 346 HA GLN 51 HA GLN 51 6.355 -17.823 -8.779 347 HB2 GLN 51 HB2 GLN 51 5.484 -20.676 -8.715 348 HB3 GLN 51 HB3 GLN 51 4.884 -19.651 -10.012 349 HG2 GLN 51 HG2 GLN 51 6.754 -20.488 -10.996 350 HG3 GLN 51 HG3 GLN 51 7.423 -19.033 -10.260 351 HE21 GLN 51 HE21 GLN 51 9.421 -19.533 -9.685 352 HE22 GLN 51 HE22 GLN 51 9.888 -20.910 -8.751 353 H HIS 52 H HIS 52 3.667 -19.709 -7.379 354 HA HIS 52 HA HIS 52 1.705 -17.854 -8.340 355 HB2 HIS 52 HB2 HIS 52 0.125 -19.242 -6.976 356 HB3 HIS 52 HB3 HIS 52 1.067 -20.162 -8.147 357 HD1 HIS 52 HD1 HIS 52 0.690 -19.595 -4.459 358 HD2 HIS 52 HD2 HIS 52 2.808 -22.041 -7.063 359 HE1 HIS 52 HE1 HIS 52 1.717 -21.381 -3.018 360 H CYS 53 H CYS 53 0.172 -16.728 -6.931 361 HA CYS 53 HA CYS 53 1.516 -15.677 -4.529 362 HB2 CYS 53 HB2 CYS 53 -0.183 -14.400 -6.629 363 HB3 CYS 53 HB3 CYS 53 -0.240 -13.749 -4.993 364 HA PRO 54 HA PRO 54 -1.759 -16.988 -1.922 365 HB2 PRO 54 HB2 PRO 54 -2.018 -14.895 -0.212 366 HB3 PRO 54 HB3 PRO 54 -0.638 -16.000 -0.178 367 HG2 PRO 54 HG2 PRO 54 -0.855 -13.278 -1.407 368 HG3 PRO 54 HG3 PRO 54 0.470 -13.975 -0.457 369 HD2 PRO 54 HD2 PRO 54 0.536 -13.826 -3.160 370 HD3 PRO 54 HD3 PRO 54 1.315 -15.141 -2.256 371 H CYS 55 H CYS 55 -3.942 -16.440 -1.096 372 HA CYS 55 HA CYS 55 -5.561 -15.369 -3.173 373 HB2 CYS 55 HB2 CYS 55 -6.239 -16.189 -0.342 374 HB3 CYS 55 HB3 CYS 55 -7.434 -15.749 -1.559 375 H GLY 56 H GLY 56 -6.208 -13.346 -3.514 376 HA2 GLY 56 HA2 GLY 56 -6.478 -11.497 -1.274 377 HA3 GLY 56 HA3 GLY 56 -5.283 -11.074 -2.492 378 H GLU 57 H GLU 57 -8.041 -12.774 -3.613 379 HA GLU 57 HA GLU 57 -9.273 -10.253 -4.506 380 HB2 GLU 57 HB2 GLU 57 -9.681 -11.168 -6.681 381 HB3 GLU 57 HB3 GLU 57 -7.974 -11.384 -6.323 382 HG2 GLU 57 HG2 GLU 57 -8.312 -13.704 -5.826 383 HG3 GLU 57 HG3 GLU 57 -10.058 -13.526 -5.980 384 H GLY 58 H GLY 58 -9.886 -12.116 -2.275 385 HA2 GLY 58 HA2 GLY 58 -12.042 -12.422 -1.331 386 HA3 GLY 58 HA3 GLY 58 -12.712 -12.504 -2.953 387 H LEU 59 H LEU 59 -9.854 -14.315 -2.255 388 HA LEU 59 HA LEU 59 -11.452 -16.785 -2.335 389 HB2 LEU 59 HB2 LEU 59 -8.563 -16.372 -3.090 390 HB3 LEU 59 HB3 LEU 59 -9.466 -17.880 -3.227 391 HG LEU 59 HG LEU 59 -10.462 -15.490 -4.701 392 HD11 LEU 59 HD11 LEU 59 -8.971 -15.777 -6.509 393 HD12 LEU 59 HD12 LEU 59 -8.274 -17.234 -5.802 394 HD13 LEU 59 HD13 LEU 59 -7.967 -15.662 -5.063 395 HD21 LEU 59 HD21 LEU 59 -11.274 -17.125 -6.228 396 HD22 LEU 59 HD22 LEU 59 -11.659 -17.689 -4.602 397 HD23 LEU 59 HD23 LEU 59 -10.302 -18.395 -5.482 398 H SER 60 H SER 60 -10.225 -18.692 -1.292 399 HA SER 60 HA SER 60 -8.760 -17.897 1.108 400 HB2 SER 60 HB2 SER 60 -11.378 -18.146 1.429 401 HB3 SER 60 HB3 SER 60 -10.982 -19.864 1.476 402 HG SER 60 HG SER 60 -10.855 -18.250 3.469 403 H CYS 61 H CYS 61 -7.015 -19.124 1.240 404 HA CYS 61 HA CYS 61 -6.501 -21.340 -0.381 405 HB2 CYS 61 HB2 CYS 61 -5.172 -19.968 1.844 406 HB3 CYS 61 HB3 CYS 61 -4.796 -21.686 1.751 407 H THR 62 H THR 62 -7.822 -23.066 -0.316 408 HA THR 62 HA THR 62 -8.287 -24.334 2.304 409 HB THR 62 HB THR 62 -10.350 -23.541 1.141 410 HG1 THR 62 HG1 THR 62 -10.380 -25.365 2.577 411 HG21 THR 62 HG21 THR 62 -9.627 -23.935 -1.167 412 HG22 THR 62 HG22 THR 62 -11.140 -24.773 -0.822 413 HG23 THR 62 HG23 THR 62 -9.624 -25.672 -0.872 414 H LYS 63 H LYS 63 -7.852 -26.485 2.560 415 HA LYS 63 HA LYS 63 -6.032 -27.670 0.679 416 HB2 LYS 63 HB2 LYS 63 -5.790 -27.900 3.147 417 HB3 LYS 63 HB3 LYS 63 -7.252 -28.877 3.170 418 HG2 LYS 63 HG2 LYS 63 -6.061 -30.427 1.549 419 HG3 LYS 63 HG3 LYS 63 -4.590 -29.537 1.951 420 HD2 LYS 63 HD2 LYS 63 -4.574 -30.294 4.135 421 HD3 LYS 63 HD3 LYS 63 -6.308 -30.623 4.143 422 HE2 LYS 63 HE2 LYS 63 -5.647 -32.385 2.306 423 HE3 LYS 63 HE3 LYS 63 -4.062 -32.261 3.066 424 HZ1 LYS 63 HZ1 LYS 63 -4.760 -33.342 4.882 425 HZ2 LYS 63 HZ2 LYS 63 -6.007 -33.905 3.888 426 HZ3 LYS 63 HZ3 LYS 63 -6.270 -32.580 4.905 427 H VAL 64 H VAL 64 -6.511 -28.998 -0.939 428 HA VAL 64 HA VAL 64 -9.167 -30.280 -0.957 429 HB VAL 64 HB VAL 64 -8.897 -30.298 -3.475 430 HG11 VAL 64 HG11 VAL 64 -9.919 -28.217 -3.712 431 HG12 VAL 64 HG12 VAL 64 -10.247 -28.646 -2.032 432 HG13 VAL 64 HG13 VAL 64 -8.967 -27.495 -2.415 433 HG21 VAL 64 HG21 VAL 64 -7.136 -29.367 -4.499 434 HG22 VAL 64 HG22 VAL 64 -7.116 -27.981 -3.410 435 HG23 VAL 64 HG23 VAL 64 -6.338 -29.490 -2.932 436 H GLY 65 H GLY 65 -5.762 -30.722 -1.171 437 HA2 GLY 65 HA2 GLY 65 -6.191 -33.614 -1.461 438 HA3 GLY 65 HA3 GLY 65 -5.049 -32.820 -2.535 439 H GLU 66 H GLU 66 -3.808 -34.656 -1.332 440 HA GLU 66 HA GLU 66 -2.564 -33.476 1.065 441 HB2 GLU 66 HB2 GLU 66 -1.847 -35.996 1.387 442 HB3 GLU 66 HB3 GLU 66 -3.417 -35.421 1.933 443 HG2 GLU 66 HG2 GLU 66 -3.627 -37.545 0.796 444 HG3 GLU 66 HG3 GLU 66 -4.447 -36.272 -0.105 445 HA PRO 67 HA PRO 67 -0.801 -34.652 2.340 446 HB2 PRO 67 HB2 PRO 67 1.376 -33.232 3.124 447 HB3 PRO 67 HB3 PRO 67 1.458 -34.934 2.652 448 HG2 PRO 67 HG2 PRO 67 2.116 -32.489 1.054 449 HG3 PRO 67 HG3 PRO 67 2.996 -34.024 1.163 450 HD2 PRO 67 HD2 PRO 67 1.368 -33.425 -0.915 451 HD3 PRO 67 HD3 PRO 67 1.587 -35.084 -0.321 452 H ASN 68 H ASN 68 0.390 -31.612 0.895 453 HA ASN 68 HA ASN 68 -1.747 -30.193 2.333 454 HB2 ASN 68 HB2 ASN 68 1.167 -29.749 2.450 455 HB3 ASN 68 HB3 ASN 68 0.204 -28.294 2.207 456 HD21 ASN 68 HD21 ASN 68 -0.074 -31.266 4.133 457 HD22 ASN 68 HD22 ASN 68 -0.435 -30.467 5.622 458 H LYS 69 H LYS 69 -2.602 -30.703 0.056 459 HA LYS 69 HA LYS 69 -1.617 -28.900 -2.002 460 HB2 LYS 69 HB2 LYS 69 -2.344 -31.267 -2.484 461 HB3 LYS 69 HB3 LYS 69 -3.992 -30.760 -2.138 462 HG2 LYS 69 HG2 LYS 69 -3.193 -28.891 -3.961 463 HG3 LYS 69 HG3 LYS 69 -2.359 -30.343 -4.519 464 HD2 LYS 69 HD2 LYS 69 -5.123 -30.848 -3.753 465 HD3 LYS 69 HD3 LYS 69 -4.978 -29.665 -5.055 466 HE2 LYS 69 HE2 LYS 69 -3.538 -32.304 -5.096 467 HE3 LYS 69 HE3 LYS 69 -5.169 -32.107 -5.735 468 HZ1 LYS 69 HZ1 LYS 69 -3.125 -31.850 -7.287 469 HZ2 LYS 69 HZ2 LYS 69 -3.042 -30.292 -6.637 470 HZ3 LYS 69 HZ3 LYS 69 -4.437 -30.796 -7.449 471 H LEU 70 H LEU 70 -2.159 -26.961 -0.767 472 HA LEU 70 HA LEU 70 -4.964 -26.357 -0.383 473 HB2 LEU 70 HB2 LEU 70 -2.381 -25.055 0.275 474 HB3 LEU 70 HB3 LEU 70 -3.797 -24.019 0.112 475 HG LEU 70 HG LEU 70 -4.906 -25.130 1.915 476 HD11 LEU 70 HD11 LEU 70 -2.562 -27.027 1.980 477 HD12 LEU 70 HD12 LEU 70 -4.190 -27.411 1.421 478 HD13 LEU 70 HD13 LEU 70 -3.913 -27.005 3.114 479 HD21 LEU 70 HD21 LEU 70 -2.453 -25.061 3.380 480 HD22 LEU 70 HD22 LEU 70 -3.773 -23.890 3.364 481 HD23 LEU 70 HD23 LEU 70 -2.460 -23.757 2.192 482 H ARG 71 H ARG 71 -6.188 -24.944 -1.562 483 HA ARG 71 HA ARG 71 -4.949 -23.583 -3.838 484 HB2 ARG 71 HB2 ARG 71 -7.314 -25.455 -4.020 485 HB3 ARG 71 HB3 ARG 71 -6.837 -24.346 -5.298 486 HG2 ARG 71 HG2 ARG 71 -4.521 -25.559 -5.041 487 HG3 ARG 71 HG3 ARG 71 -5.525 -26.841 -4.362 488 HD2 ARG 71 HD2 ARG 71 -6.876 -26.881 -6.382 489 HD3 ARG 71 HD3 ARG 71 -5.937 -25.548 -7.055 490 HE ARG 71 HE ARG 71 -4.282 -27.760 -6.367 491 HH11 ARG 71 HH11 ARG 71 -6.494 -26.571 -8.778 492 HH12 ARG 71 HH12 ARG 71 -5.801 -27.505 -10.062 493 HH21 ARG 71 HH21 ARG 71 -3.361 -28.995 -8.049 494 HH22 ARG 71 HH22 ARG 71 -4.020 -28.885 -9.646 495 H CYS 72 H CYS 72 -6.283 -21.890 -4.752 496 HA CYS 72 HA CYS 72 -7.640 -20.401 -2.734 497 HB2 CYS 72 HB2 CYS 72 -6.789 -19.973 -5.523 498 HB3 CYS 72 HB3 CYS 72 -8.234 -19.085 -5.049 499 H GLN 73 H GLN 73 -9.755 -20.230 -2.301 500 HA GLN 73 HA GLN 73 -11.714 -21.175 -4.250 501 HB2 GLN 73 HB2 GLN 73 -11.053 -23.046 -2.636 502 HB3 GLN 73 HB3 GLN 73 -11.851 -22.101 -1.386 503 HG2 GLN 73 HG2 GLN 73 -13.252 -23.898 -2.374 504 HG3 GLN 73 HG3 GLN 73 -13.955 -22.285 -2.478 505 HE21 GLN 73 HE21 GLN 73 -11.471 -23.830 -4.463 506 HE22 GLN 73 HE22 GLN 73 -12.337 -23.712 -5.953 507 H GLU 74 H GLU 74 -13.424 -19.866 -4.358 508 HA GLU 74 HA GLU 74 -13.592 -17.448 -3.039 509 HB2 GLU 74 HB2 GLU 74 -15.736 -19.110 -4.356 510 HB3 GLU 74 HB3 GLU 74 -16.037 -17.492 -3.740 511 HG2 GLU 74 HG2 GLU 74 -13.999 -16.848 -5.230 512 HG3 GLU 74 HG3 GLU 74 -14.381 -18.355 -6.060 513 H GLU 75 H GLU 75 -13.907 -16.995 -0.972 514 HA GLU 75 HA GLU 75 -14.815 -18.882 0.925 515 HB2 GLU 75 HB2 GLU 75 -13.368 -16.683 1.172 516 HB3 GLU 75 HB3 GLU 75 -14.935 -15.954 1.499 517 HG2 GLU 75 HG2 GLU 75 -15.185 -17.911 3.195 518 HG3 GLU 75 HG3 GLU 75 -13.429 -17.988 3.073 519 H SER 76 H SER 76 -16.739 -18.989 2.097 520 HA SER 76 HA SER 76 -19.106 -18.643 0.681 521 HB2 SER 76 HB2 SER 76 -20.204 -19.458 2.563 522 HB3 SER 76 HB3 SER 76 -18.567 -20.062 2.816 523 HG SER 76 HG SER 76 -19.299 -19.102 4.707 Start of MODEL 17 1 H1 SER 1 H SER 1 1.588 -0.184 0.879 2 HA SER 1 HA SER 1 1.642 -0.997 -1.851 3 HB2 SER 1 HB2 SER 1 3.777 0.527 -1.802 4 HB3 SER 1 HB3 SER 1 2.181 1.249 -1.596 5 HG SER 1 HG SER 1 3.905 1.839 -0.033 6 H VAL 2 H VAL 2 2.810 -2.530 -2.803 7 HA VAL 2 HA VAL 2 4.468 -4.275 -1.286 8 HB VAL 2 HB VAL 2 3.191 -5.126 -3.170 9 HG11 VAL 2 HG11 VAL 2 3.840 -4.577 -5.483 10 HG12 VAL 2 HG12 VAL 2 3.224 -3.175 -4.606 11 HG13 VAL 2 HG13 VAL 2 4.960 -3.363 -4.863 12 HG21 VAL 2 HG21 VAL 2 5.979 -5.432 -4.148 13 HG22 VAL 2 HG22 VAL 2 5.625 -5.931 -2.493 14 HG23 VAL 2 HG23 VAL 2 4.747 -6.655 -3.841 15 H THR 3 H THR 3 6.638 -4.392 -1.099 16 HA THR 3 HA THR 3 8.338 -2.744 -2.803 17 HB THR 3 HB THR 3 8.614 -2.562 0.196 18 HG1 THR 3 HG1 THR 3 6.841 -1.378 -0.015 19 HG21 THR 3 HG21 THR 3 10.192 -1.718 -2.050 20 HG22 THR 3 HG22 THR 3 10.549 -1.588 -0.328 21 HG23 THR 3 HG23 THR 3 9.645 -0.310 -1.140 22 H CYS 4 H CYS 4 9.647 -4.262 -3.604 23 HA CYS 4 HA CYS 4 11.255 -5.825 -1.745 24 HB2 CYS 4 HB2 CYS 4 9.480 -7.023 -3.866 25 HB3 CYS 4 HB3 CYS 4 10.883 -7.876 -3.232 26 H GLY 5 H GLY 5 13.278 -6.373 -2.529 27 HA2 GLY 5 HA2 GLY 5 15.101 -6.352 -3.938 28 HA3 GLY 5 HA3 GLY 5 13.992 -6.131 -5.283 29 H GLY 6 H GLY 6 13.778 -3.879 -2.688 30 HA2 GLY 6 HA2 GLY 6 14.500 -1.698 -2.456 31 HA3 GLY 6 HA3 GLY 6 15.703 -2.011 -3.699 32 H LYS 7 H LYS 7 12.373 -2.673 -4.371 33 HA LYS 7 HA LYS 7 11.997 -0.103 -5.698 34 HB2 LYS 7 HB2 LYS 7 12.304 -2.727 -7.075 35 HB3 LYS 7 HB3 LYS 7 11.098 -1.612 -7.700 36 HG2 LYS 7 HG2 LYS 7 13.838 -0.584 -7.184 37 HG3 LYS 7 HG3 LYS 7 13.568 -1.608 -8.596 38 HD2 LYS 7 HD2 LYS 7 12.144 -0.082 -9.592 39 HD3 LYS 7 HD3 LYS 7 11.734 0.691 -8.060 40 HE2 LYS 7 HE2 LYS 7 13.115 2.277 -8.967 41 HE3 LYS 7 HE3 LYS 7 14.286 1.317 -8.064 42 HZ1 LYS 7 HZ1 LYS 7 14.691 0.069 -10.165 43 HZ2 LYS 7 HZ2 LYS 7 15.170 1.690 -10.215 44 HZ3 LYS 7 HZ3 LYS 7 13.738 1.208 -10.976 45 H GLN 8 H GLN 8 9.793 0.312 -6.303 46 HA GLN 8 HA GLN 8 7.904 -1.198 -4.645 47 HB2 GLN 8 HB2 GLN 8 8.068 1.619 -5.580 48 HB3 GLN 8 HB3 GLN 8 6.463 0.933 -5.369 49 HG2 GLN 8 HG2 GLN 8 6.674 0.772 -3.106 50 HG3 GLN 8 HG3 GLN 8 8.427 0.594 -3.170 51 HE21 GLN 8 HE21 GLN 8 9.013 2.172 -1.790 52 HE22 GLN 8 HE22 GLN 8 8.684 3.851 -2.030 53 H CYS 9 H CYS 9 5.794 -1.702 -5.470 54 HA CYS 9 HA CYS 9 5.519 -1.698 -8.384 55 HB2 CYS 9 HB2 CYS 9 5.763 -4.093 -6.635 56 HB3 CYS 9 HB3 CYS 9 4.577 -4.160 -7.934 57 H LYS 10 H LYS 10 3.268 -2.636 -8.968 58 HA LYS 10 HA LYS 10 1.325 -1.028 -7.664 59 HB2 LYS 10 HB2 LYS 10 1.324 -2.996 -9.900 60 HB3 LYS 10 HB3 LYS 10 -0.220 -2.616 -9.148 61 HG2 LYS 10 HG2 LYS 10 -0.070 -1.131 -10.931 62 HG3 LYS 10 HG3 LYS 10 0.403 -0.166 -9.532 63 HD2 LYS 10 HD2 LYS 10 1.979 0.355 -11.197 64 HD3 LYS 10 HD3 LYS 10 2.804 -0.781 -10.127 65 HE2 LYS 10 HE2 LYS 10 2.046 -2.599 -11.737 66 HE3 LYS 10 HE3 LYS 10 1.621 -1.295 -12.844 67 HZ1 LYS 10 HZ1 LYS 10 4.144 -0.666 -12.088 68 HZ2 LYS 10 HZ2 LYS 10 3.723 -1.455 -13.523 69 HZ3 LYS 10 HZ3 LYS 10 4.205 -2.355 -12.174 70 HA PRO 11 HA PRO 11 -0.335 -3.661 -4.572 71 HB2 PRO 11 HB2 PRO 11 -3.002 -3.192 -4.770 72 HB3 PRO 11 HB3 PRO 11 -1.864 -2.008 -4.116 73 HG2 PRO 11 HG2 PRO 11 -3.058 -2.174 -6.856 74 HG3 PRO 11 HG3 PRO 11 -2.819 -0.752 -5.824 75 HD2 PRO 11 HD2 PRO 11 -1.153 -1.367 -7.869 76 HD3 PRO 11 HD3 PRO 11 -0.593 -0.562 -6.389 77 H ASN 12 H ASN 12 -2.077 -5.368 -4.170 78 HA ASN 12 HA ASN 12 -2.930 -7.421 -4.649 79 HB2 ASN 12 HB2 ASN 12 -3.326 -6.286 -7.427 80 HB3 ASN 12 HB3 ASN 12 -4.140 -7.693 -6.749 81 HD21 ASN 12 HD21 ASN 12 -4.068 -4.283 -6.979 82 HD22 ASN 12 HD22 ASN 12 -5.473 -3.962 -6.026 83 H SER 13 H SER 13 -0.066 -6.836 -5.083 84 HA SER 13 HA SER 13 0.544 -9.224 -6.659 85 HB2 SER 13 HB2 SER 13 2.197 -8.180 -7.995 86 HB3 SER 13 HB3 SER 13 0.806 -7.097 -8.064 87 HG SER 13 HG SER 13 3.280 -6.573 -7.217 88 H CYS 14 H CYS 14 1.708 -10.532 -5.432 89 HA CYS 14 HA CYS 14 3.147 -9.481 -3.134 90 HB2 CYS 14 HB2 CYS 14 3.267 -11.722 -2.354 91 HB3 CYS 14 HB3 CYS 14 1.658 -11.534 -3.043 92 H CYS 15 H CYS 15 5.326 -10.493 -2.648 93 HA CYS 15 HA CYS 15 7.027 -10.103 -4.975 94 HB2 CYS 15 HB2 CYS 15 7.896 -10.610 -2.128 95 HB3 CYS 15 HB3 CYS 15 8.844 -9.899 -3.430 96 H VAL 16 H VAL 16 8.130 -11.662 -6.001 97 HA VAL 16 HA VAL 16 8.231 -14.339 -4.782 98 HB VAL 16 HB VAL 16 7.939 -15.266 -7.123 99 HG11 VAL 16 HG11 VAL 16 5.353 -14.055 -6.684 100 HG12 VAL 16 HG12 VAL 16 5.860 -15.733 -6.481 101 HG13 VAL 16 HG13 VAL 16 6.084 -14.577 -5.167 102 HG21 VAL 16 HG21 VAL 16 6.689 -13.821 -8.701 103 HG22 VAL 16 HG22 VAL 16 6.974 -12.452 -7.625 104 HG23 VAL 16 HG23 VAL 16 8.334 -13.260 -8.404 105 H GLN 17 H GLN 17 10.229 -15.112 -4.681 106 HA GLN 17 HA GLN 17 12.405 -13.740 -5.952 107 HB2 GLN 17 HB2 GLN 17 12.271 -15.039 -3.644 108 HB3 GLN 17 HB3 GLN 17 12.778 -16.394 -4.643 109 HG2 GLN 17 HG2 GLN 17 14.233 -13.830 -4.103 110 HG3 GLN 17 HG3 GLN 17 14.747 -15.481 -3.762 111 HE21 GLN 17 HE21 GLN 17 14.657 -12.947 -6.048 112 HE22 GLN 17 HE22 GLN 17 15.504 -13.754 -7.319 113 H ASN 18 H ASN 18 13.204 -14.128 -7.901 114 HA ASN 18 HA ASN 18 12.882 -16.814 -9.055 115 HB2 ASN 18 HB2 ASN 18 12.568 -14.215 -10.572 116 HB3 ASN 18 HB3 ASN 18 12.406 -15.837 -11.237 117 HD21 ASN 18 HD21 ASN 18 10.791 -17.210 -9.885 118 HD22 ASN 18 HD22 ASN 18 9.278 -16.437 -9.568 119 H SER 19 H SER 19 15.046 -17.237 -8.419 120 HA SER 19 HA SER 19 17.132 -15.624 -9.686 121 HB2 SER 19 HB2 SER 19 18.649 -17.189 -8.318 122 HB3 SER 19 HB3 SER 19 17.657 -16.037 -7.423 123 HG SER 19 HG SER 19 16.803 -17.683 -6.458 124 H HIS 20 H HIS 20 18.983 -16.825 -10.673 125 HA HIS 20 HA HIS 20 18.076 -19.246 -12.081 126 HB2 HIS 20 HB2 HIS 20 18.156 -16.955 -13.385 127 HB3 HIS 20 HB3 HIS 20 19.882 -17.299 -13.456 128 HD1 HIS 20 HD1 HIS 20 20.479 -18.382 -15.582 129 HD2 HIS 20 HD2 HIS 20 16.694 -19.517 -14.298 130 HE1 HIS 20 HE1 HIS 20 19.628 -19.981 -17.327 131 H GLY 21 H GLY 21 19.815 -18.808 -9.705 132 HA2 GLY 21 HA2 GLY 21 21.653 -19.920 -8.863 133 HA3 GLY 21 HA3 GLY 21 21.885 -20.641 -10.448 134 H LYS 22 H LYS 22 21.697 -17.188 -10.060 135 HA LYS 22 HA LYS 22 24.442 -16.963 -11.015 136 HB2 LYS 22 HB2 LYS 22 22.627 -15.679 -12.117 137 HB3 LYS 22 HB3 LYS 22 22.357 -14.811 -10.612 138 HG2 LYS 22 HG2 LYS 22 24.620 -13.901 -10.727 139 HG3 LYS 22 HG3 LYS 22 24.894 -14.773 -12.236 140 HD2 LYS 22 HD2 LYS 22 22.567 -12.909 -11.984 141 HD3 LYS 22 HD3 LYS 22 24.182 -12.268 -12.296 142 HE2 LYS 22 HE2 LYS 22 22.802 -14.373 -13.959 143 HE3 LYS 22 HE3 LYS 22 22.873 -12.658 -14.359 144 HZ1 LYS 22 HZ1 LYS 22 24.828 -12.997 -15.305 145 HZ2 LYS 22 HZ2 LYS 22 24.762 -14.642 -14.918 146 HZ3 LYS 22 HZ3 LYS 22 25.475 -13.549 -13.843 147 H GLY 23 H GLY 23 22.466 -16.124 -8.227 148 HA2 GLY 23 HA2 GLY 23 23.498 -16.120 -6.040 149 HA3 GLY 23 HA3 GLY 23 24.952 -15.469 -6.781 150 H LYS 24 H LYS 24 22.060 -14.108 -7.948 151 HA LYS 24 HA LYS 24 22.351 -11.808 -6.130 152 HB2 LYS 24 HB2 LYS 24 22.104 -11.870 -9.123 153 HB3 LYS 24 HB3 LYS 24 21.574 -10.463 -8.211 154 HG2 LYS 24 HG2 LYS 24 23.842 -10.285 -7.244 155 HG3 LYS 24 HG3 LYS 24 24.351 -11.628 -8.272 156 HD2 LYS 24 HD2 LYS 24 24.994 -9.786 -9.517 157 HD3 LYS 24 HD3 LYS 24 23.412 -10.165 -10.204 158 HE2 LYS 24 HE2 LYS 24 22.539 -8.495 -8.406 159 HE3 LYS 24 HE3 LYS 24 24.208 -7.927 -8.384 160 HZ1 LYS 24 HZ1 LYS 24 23.503 -6.627 -10.051 161 HZ2 LYS 24 HZ2 LYS 24 22.173 -7.606 -10.417 162 HZ3 LYS 24 HZ3 LYS 24 23.706 -8.005 -11.010 163 H ASP 25 H ASP 25 20.611 -12.278 -4.841 164 HA ASP 25 HA ASP 25 18.134 -13.252 -5.619 165 HB2 ASP 25 HB2 ASP 25 17.307 -11.984 -3.524 166 HB3 ASP 25 HB3 ASP 25 18.527 -13.237 -3.312 167 H SER 26 H SER 26 16.951 -12.427 -7.223 168 HA SER 26 HA SER 26 16.251 -9.575 -7.083 169 HB2 SER 26 HB2 SER 26 16.942 -11.085 -9.616 170 HB3 SER 26 HB3 SER 26 16.360 -9.422 -9.540 171 HG SER 26 HG SER 26 18.756 -9.881 -9.648 172 HA PRO 27 HA PRO 27 12.423 -12.112 -7.192 173 HB2 PRO 27 HB2 PRO 27 11.027 -10.447 -5.564 174 HB3 PRO 27 HB3 PRO 27 12.101 -11.711 -4.953 175 HG2 PRO 27 HG2 PRO 27 12.616 -8.780 -5.269 176 HG3 PRO 27 HG3 PRO 27 13.038 -9.850 -3.920 177 HD2 PRO 27 HD2 PRO 27 14.834 -9.102 -5.804 178 HD3 PRO 27 HD3 PRO 27 14.897 -10.684 -4.998 179 H ARG 28 H ARG 28 10.218 -11.486 -7.860 180 HA ARG 28 HA ARG 28 10.139 -8.974 -9.387 181 HB2 ARG 28 HB2 ARG 28 9.816 -11.750 -10.365 182 HB3 ARG 28 HB3 ARG 28 8.656 -10.577 -10.974 183 HG2 ARG 28 HG2 ARG 28 11.504 -9.792 -11.047 184 HG3 ARG 28 HG3 ARG 28 10.991 -11.062 -12.159 185 HD2 ARG 28 HD2 ARG 28 10.540 -9.256 -13.464 186 HD3 ARG 28 HD3 ARG 28 9.011 -9.345 -12.589 187 HE ARG 28 HE ARG 28 10.809 -7.712 -11.169 188 HH11 ARG 28 HH11 ARG 28 8.912 -7.732 -14.087 189 HH12 ARG 28 HH12 ARG 28 8.732 -6.009 -14.138 190 HH21 ARG 28 HH21 ARG 28 10.578 -5.443 -11.223 191 HH22 ARG 28 HH22 ARG 28 9.681 -4.709 -12.507 192 H CYS 29 H CYS 29 7.786 -8.630 -10.224 193 HA CYS 29 HA CYS 29 6.023 -9.006 -7.909 194 HB2 CYS 29 HB2 CYS 29 5.638 -7.101 -10.220 195 HB3 CYS 29 HB3 CYS 29 4.797 -7.090 -8.674 196 H HIS 30 H HIS 30 4.474 -10.479 -8.026 197 HA HIS 30 HA HIS 30 3.421 -11.207 -10.681 198 HB2 HIS 30 HB2 HIS 30 4.632 -12.855 -8.694 199 HB3 HIS 30 HB3 HIS 30 2.932 -13.299 -8.810 200 HD1 HIS 30 HD1 HIS 30 5.292 -12.290 -11.612 201 HD2 HIS 30 HD2 HIS 30 3.014 -15.530 -10.355 202 HE1 HIS 30 HE1 HIS 30 5.482 -13.999 -13.448 203 HA PRO 31 HA PRO 31 -0.578 -10.062 -9.269 204 HB2 PRO 31 HB2 PRO 31 -2.112 -11.702 -10.795 205 HB3 PRO 31 HB3 PRO 31 -1.265 -10.296 -11.449 206 HG2 PRO 31 HG2 PRO 31 -0.481 -13.184 -11.523 207 HG3 PRO 31 HG3 PRO 31 -0.390 -11.967 -12.809 208 HD2 PRO 31 HD2 PRO 31 1.765 -12.705 -11.347 209 HD3 PRO 31 HD3 PRO 31 1.564 -11.061 -11.987 210 H LEU 32 H LEU 32 -2.219 -10.698 -7.884 211 HA LEU 32 HA LEU 32 -1.692 -12.780 -6.093 212 HB2 LEU 32 HB2 LEU 32 -4.108 -11.102 -6.654 213 HB3 LEU 32 HB3 LEU 32 -4.178 -12.410 -5.474 214 HG LEU 32 HG LEU 32 -2.212 -10.131 -5.315 215 HD11 LEU 32 HD11 LEU 32 -3.812 -9.443 -3.406 216 HD12 LEU 32 HD12 LEU 32 -5.010 -10.389 -4.288 217 HD13 LEU 32 HD13 LEU 32 -4.226 -9.013 -5.065 218 HD21 LEU 32 HD21 LEU 32 -1.580 -10.967 -3.289 219 HD22 LEU 32 HD22 LEU 32 -1.980 -12.473 -4.116 220 HD23 LEU 32 HD23 LEU 32 -3.136 -11.747 -2.997 221 H GLY 33 H GLY 33 -2.693 -14.785 -5.741 222 HA2 GLY 33 HA2 GLY 33 -3.176 -16.338 -8.028 223 HA3 GLY 33 HA3 GLY 33 -3.539 -16.821 -6.378 224 H LYS 34 H LYS 34 -5.081 -17.430 -8.715 225 HA LYS 34 HA LYS 34 -7.521 -15.855 -8.239 226 HB2 LYS 34 HB2 LYS 34 -8.281 -16.551 -10.420 227 HB3 LYS 34 HB3 LYS 34 -6.657 -15.892 -10.571 228 HG2 LYS 34 HG2 LYS 34 -5.712 -18.069 -10.785 229 HG3 LYS 34 HG3 LYS 34 -7.251 -18.835 -10.381 230 HD2 LYS 34 HD2 LYS 34 -7.143 -19.011 -12.704 231 HD3 LYS 34 HD3 LYS 34 -8.166 -17.596 -12.444 232 HE2 LYS 34 HE2 LYS 34 -6.311 -16.120 -12.874 233 HE3 LYS 34 HE3 LYS 34 -5.199 -17.485 -12.971 234 HZ1 LYS 34 HZ1 LYS 34 -5.599 -17.473 -15.139 235 HZ2 LYS 34 HZ2 LYS 34 -6.888 -16.389 -14.987 236 HZ3 LYS 34 HZ3 LYS 34 -7.154 -18.049 -14.801 237 H LEU 35 H LEU 35 -9.470 -17.480 -9.094 238 HA LEU 35 HA LEU 35 -9.733 -19.337 -6.942 239 HB2 LEU 35 HB2 LEU 35 -11.704 -18.248 -7.602 240 HB3 LEU 35 HB3 LEU 35 -11.438 -18.618 -9.304 241 HG LEU 35 HG LEU 35 -11.936 -20.985 -8.846 242 HD11 LEU 35 HD11 LEU 35 -12.086 -21.834 -6.797 243 HD12 LEU 35 HD12 LEU 35 -13.191 -20.563 -6.273 244 HD13 LEU 35 HD13 LEU 35 -11.449 -20.298 -6.206 245 HD21 LEU 35 HD21 LEU 35 -13.733 -19.616 -9.629 246 HD22 LEU 35 HD22 LEU 35 -14.017 -18.971 -8.013 247 HD23 LEU 35 HD23 LEU 35 -14.363 -20.666 -8.361 248 H ASN 36 H ASN 36 -9.845 -21.576 -7.002 249 HA ASN 36 HA ASN 36 -9.233 -23.673 -7.638 250 HB2 ASN 36 HB2 ASN 36 -10.195 -22.507 -10.239 251 HB3 ASN 36 HB3 ASN 36 -9.555 -24.146 -10.167 252 HD21 ASN 36 HD21 ASN 36 -12.260 -23.108 -10.742 253 HD22 ASN 36 HD22 ASN 36 -13.305 -23.919 -9.631 254 H ASN 37 H ASN 37 -7.157 -21.789 -7.348 255 HA ASN 37 HA ASN 37 -5.197 -22.890 -9.245 256 HB2 ASN 37 HB2 ASN 37 -5.873 -20.094 -8.753 257 HB3 ASN 37 HB3 ASN 37 -4.157 -20.423 -8.528 258 HD21 ASN 37 HD21 ASN 37 -6.813 -21.036 -10.788 259 HD22 ASN 37 HD22 ASN 37 -5.855 -20.906 -12.219 260 HA PRO 38 HA PRO 38 -2.720 -23.946 -5.780 261 HB2 PRO 38 HB2 PRO 38 -0.209 -23.473 -6.699 262 HB3 PRO 38 HB3 PRO 38 -1.199 -24.827 -7.259 263 HG2 PRO 38 HG2 PRO 38 -0.718 -22.169 -8.551 264 HG3 PRO 38 HG3 PRO 38 -0.754 -23.781 -9.289 265 HD2 PRO 38 HD2 PRO 38 -2.850 -22.071 -9.422 266 HD3 PRO 38 HD3 PRO 38 -3.058 -23.832 -9.364 267 H CYS 39 H CYS 39 -2.493 -22.866 -3.934 268 HA CYS 39 HA CYS 39 -1.082 -20.293 -3.949 269 HB2 CYS 39 HB2 CYS 39 -2.708 -19.256 -2.524 270 HB3 CYS 39 HB3 CYS 39 -3.564 -19.922 -3.910 271 H GLU 40 H GLU 40 -0.513 -19.613 -1.660 272 HA GLU 40 HA GLU 40 0.063 -21.970 0.006 273 HB2 GLU 40 HB2 GLU 40 2.125 -21.412 -1.068 274 HB3 GLU 40 HB3 GLU 40 1.910 -19.701 -0.727 275 HG2 GLU 40 HG2 GLU 40 2.463 -19.939 1.504 276 HG3 GLU 40 HG3 GLU 40 2.107 -21.665 1.513 277 H VAL 41 H VAL 41 -0.020 -21.689 2.219 278 HA VAL 41 HA VAL 41 -1.834 -19.886 3.269 279 HB VAL 41 HB VAL 41 0.447 -21.156 4.789 280 HG11 VAL 41 HG11 VAL 41 -0.912 -20.908 6.737 281 HG12 VAL 41 HG12 VAL 41 -0.828 -19.336 5.939 282 HG13 VAL 41 HG13 VAL 41 -2.275 -20.331 5.779 283 HG21 VAL 41 HG21 VAL 41 -0.674 -22.905 3.638 284 HG22 VAL 41 HG22 VAL 41 -1.269 -22.927 5.298 285 HG23 VAL 41 HG23 VAL 41 -2.259 -22.228 4.015 286 H GLU 42 H GLU 42 1.665 -19.782 3.960 287 HA GLU 42 HA GLU 42 1.585 -16.865 3.724 288 HB2 GLU 42 HB2 GLU 42 2.469 -18.417 6.149 289 HB3 GLU 42 HB3 GLU 42 3.032 -16.782 5.837 290 HG2 GLU 42 HG2 GLU 42 0.557 -16.158 5.683 291 HG3 GLU 42 HG3 GLU 42 0.254 -17.723 6.438 292 HA PRO 43 HA PRO 43 5.471 -17.284 1.733 293 HB2 PRO 43 HB2 PRO 43 6.719 -14.991 2.475 294 HB3 PRO 43 HB3 PRO 43 5.379 -15.025 1.322 295 HG2 PRO 43 HG2 PRO 43 5.351 -14.363 4.242 296 HG3 PRO 43 HG3 PRO 43 4.517 -13.553 2.903 297 HD2 PRO 43 HD2 PRO 43 3.266 -15.294 4.557 298 HD3 PRO 43 HD3 PRO 43 2.822 -15.113 2.848 299 H ASN 44 H ASN 44 7.961 -16.616 2.346 300 HA ASN 44 HA ASN 44 8.658 -18.478 4.419 301 HB2 ASN 44 HB2 ASN 44 10.690 -16.690 3.153 302 HB3 ASN 44 HB3 ASN 44 10.809 -18.395 3.578 303 HD21 ASN 44 HD21 ASN 44 11.220 -16.730 1.058 304 HD22 ASN 44 HD22 ASN 44 10.367 -17.615 -0.156 305 H GLU 45 H GLU 45 10.907 -17.440 5.572 306 HA GLU 45 HA GLU 45 9.851 -15.901 7.682 307 HB2 GLU 45 HB2 GLU 45 12.785 -16.100 7.032 308 HB3 GLU 45 HB3 GLU 45 12.029 -15.920 8.609 309 HG2 GLU 45 HG2 GLU 45 10.968 -18.278 7.647 310 HG3 GLU 45 HG3 GLU 45 12.643 -18.316 7.102 311 H ASN 46 H ASN 46 11.289 -15.034 4.660 312 HA ASN 46 HA ASN 46 11.790 -12.289 5.469 313 HB2 ASN 46 HB2 ASN 46 12.189 -13.808 2.896 314 HB3 ASN 46 HB3 ASN 46 12.395 -12.061 2.985 315 HD21 ASN 46 HD21 ASN 46 13.596 -15.147 4.079 316 HD22 ASN 46 HD22 ASN 46 15.144 -14.582 4.596 317 H GLY 47 H GLY 47 9.375 -14.154 3.793 318 HA2 GLY 47 HA2 GLY 47 7.119 -13.353 3.661 319 HA3 GLY 47 HA3 GLY 47 7.746 -11.714 3.561 320 H ILE 48 H ILE 48 9.021 -14.397 1.699 321 HA ILE 48 HA ILE 48 7.876 -13.175 -0.727 322 HB ILE 48 HB ILE 48 10.540 -14.582 -0.526 323 HG12 ILE 48 HG12 ILE 48 9.968 -11.627 -0.843 324 HG13 ILE 48 HG13 ILE 48 10.492 -12.391 0.655 325 HG21 ILE 48 HG21 ILE 48 9.534 -14.813 -2.709 326 HG22 ILE 48 HG22 ILE 48 9.221 -13.080 -2.781 327 HG23 ILE 48 HG23 ILE 48 10.881 -13.677 -2.797 328 HD11 ILE 48 HD11 ILE 48 12.026 -11.682 -1.745 329 HD12 ILE 48 HD12 ILE 48 12.520 -11.755 -0.054 330 HD13 ILE 48 HD13 ILE 48 12.428 -13.233 -1.011 331 H TYR 49 H TYR 49 7.194 -14.544 -2.378 332 HA TYR 49 HA TYR 49 6.667 -17.295 -1.514 333 HB2 TYR 49 HB2 TYR 49 5.358 -15.491 -3.539 334 HB3 TYR 49 HB3 TYR 49 5.045 -17.222 -3.505 335 HD1 TYR 49 HD1 TYR 49 4.919 -14.178 -1.366 336 HD2 TYR 49 HD2 TYR 49 3.406 -18.088 -2.088 337 HE1 TYR 49 HE1 TYR 49 3.206 -13.828 0.364 338 HE2 TYR 49 HE2 TYR 49 1.688 -17.750 -0.361 339 HH TYR 49 HH TYR 49 1.046 -16.426 1.364 340 H SER 50 H SER 50 6.301 -18.689 -3.723 341 HA SER 50 HA SER 50 8.977 -18.828 -4.866 342 HB2 SER 50 HB2 SER 50 6.720 -20.712 -4.503 343 HB3 SER 50 HB3 SER 50 7.694 -20.947 -5.954 344 HG SER 50 HG SER 50 8.552 -22.121 -4.215 345 H GLN 51 H GLN 51 5.866 -19.582 -6.394 346 HA GLN 51 HA GLN 51 6.619 -17.803 -8.619 347 HB2 GLN 51 HB2 GLN 51 5.187 -20.458 -8.817 348 HB3 GLN 51 HB3 GLN 51 5.571 -19.394 -10.162 349 HG2 GLN 51 HG2 GLN 51 7.877 -19.802 -9.966 350 HG3 GLN 51 HG3 GLN 51 7.690 -20.540 -8.375 351 HE21 GLN 51 HE21 GLN 51 7.312 -20.975 -11.804 352 HE22 GLN 51 HE22 GLN 51 7.119 -22.691 -11.770 353 H HIS 52 H HIS 52 3.809 -19.580 -7.320 354 HA HIS 52 HA HIS 52 1.960 -17.650 -8.365 355 HB2 HIS 52 HB2 HIS 52 1.759 -20.158 -6.762 356 HB3 HIS 52 HB3 HIS 52 0.399 -19.039 -6.724 357 HD1 HIS 52 HD1 HIS 52 -1.103 -18.961 -8.758 358 HD2 HIS 52 HD2 HIS 52 2.289 -21.289 -9.332 359 HE1 HIS 52 HE1 HIS 52 -1.477 -20.167 -10.933 360 H CYS 53 H CYS 53 0.272 -16.688 -6.856 361 HA CYS 53 HA CYS 53 1.624 -15.583 -4.483 362 HB2 CYS 53 HB2 CYS 53 -0.096 -14.319 -6.573 363 HB3 CYS 53 HB3 CYS 53 -0.165 -13.683 -4.932 364 HA PRO 54 HA PRO 54 -1.628 -16.972 -1.889 365 HB2 PRO 54 HB2 PRO 54 -1.930 -14.896 -0.165 366 HB3 PRO 54 HB3 PRO 54 -0.530 -15.974 -0.136 367 HG2 PRO 54 HG2 PRO 54 -0.797 -13.250 -1.346 368 HG3 PRO 54 HG3 PRO 54 0.541 -13.926 -0.400 369 HD2 PRO 54 HD2 PRO 54 0.608 -13.758 -3.101 370 HD3 PRO 54 HD3 PRO 54 1.410 -15.064 -2.206 371 H CYS 55 H CYS 55 -3.822 -16.469 -1.060 372 HA CYS 55 HA CYS 55 -5.458 -15.414 -3.132 373 HB2 CYS 55 HB2 CYS 55 -6.107 -16.298 -0.315 374 HB3 CYS 55 HB3 CYS 55 -7.323 -15.828 -1.499 375 H GLY 56 H GLY 56 -6.121 -13.396 -3.463 376 HA2 GLY 56 HA2 GLY 56 -6.465 -11.576 -1.213 377 HA3 GLY 56 HA3 GLY 56 -5.245 -11.122 -2.393 378 H GLU 57 H GLU 57 -7.966 -12.843 -3.583 379 HA GLU 57 HA GLU 57 -9.173 -10.325 -4.520 380 HB2 GLU 57 HB2 GLU 57 -9.579 -11.290 -6.680 381 HB3 GLU 57 HB3 GLU 57 -7.874 -11.492 -6.305 382 HG2 GLU 57 HG2 GLU 57 -8.200 -13.801 -5.767 383 HG3 GLU 57 HG3 GLU 57 -9.948 -13.635 -5.919 384 H GLY 58 H GLY 58 -9.851 -12.085 -2.250 385 HA2 GLY 58 HA2 GLY 58 -12.008 -12.372 -1.325 386 HA3 GLY 58 HA3 GLY 58 -12.668 -12.462 -2.951 387 H LEU 59 H LEU 59 -9.848 -14.314 -2.212 388 HA LEU 59 HA LEU 59 -11.485 -16.756 -2.292 389 HB2 LEU 59 HB2 LEU 59 -8.559 -16.453 -2.941 390 HB3 LEU 59 HB3 LEU 59 -9.546 -17.896 -3.165 391 HG LEU 59 HG LEU 59 -10.260 -15.379 -4.611 392 HD11 LEU 59 HD11 LEU 59 -7.828 -15.768 -4.953 393 HD12 LEU 59 HD12 LEU 59 -8.791 -15.915 -6.424 394 HD13 LEU 59 HD13 LEU 59 -8.220 -17.363 -5.596 395 HD21 LEU 59 HD21 LEU 59 -11.739 -17.387 -4.596 396 HD22 LEU 59 HD22 LEU 59 -10.450 -18.281 -5.404 397 HD23 LEU 59 HD23 LEU 59 -11.201 -16.898 -6.202 398 H SER 60 H SER 60 -10.141 -18.675 -1.262 399 HA SER 60 HA SER 60 -8.776 -17.881 1.180 400 HB2 SER 60 HB2 SER 60 -11.418 -18.101 1.440 401 HB3 SER 60 HB3 SER 60 -11.016 -19.813 1.565 402 HG SER 60 HG SER 60 -10.426 -19.422 3.530 403 H CYS 61 H CYS 61 -7.042 -19.127 1.308 404 HA CYS 61 HA CYS 61 -6.524 -21.351 -0.270 405 HB2 CYS 61 HB2 CYS 61 -5.268 -20.057 2.052 406 HB3 CYS 61 HB3 CYS 61 -4.904 -21.772 1.897 407 H THR 62 H THR 62 -7.757 -23.123 -0.288 408 HA THR 62 HA THR 62 -8.339 -24.420 2.295 409 HB THR 62 HB THR 62 -10.384 -23.491 1.203 410 HG1 THR 62 HG1 THR 62 -11.060 -25.125 2.387 411 HG21 THR 62 HG21 THR 62 -9.700 -23.827 -1.133 412 HG22 THR 62 HG22 THR 62 -11.257 -24.584 -0.798 413 HG23 THR 62 HG23 THR 62 -9.800 -25.572 -0.907 414 H LYS 63 H LYS 63 -7.866 -26.547 2.481 415 HA LYS 63 HA LYS 63 -6.157 -27.737 0.531 416 HB2 LYS 63 HB2 LYS 63 -6.166 -28.047 3.103 417 HB3 LYS 63 HB3 LYS 63 -7.426 -29.238 2.804 418 HG2 LYS 63 HG2 LYS 63 -5.892 -30.475 1.343 419 HG3 LYS 63 HG3 LYS 63 -4.629 -29.291 1.686 420 HD2 LYS 63 HD2 LYS 63 -4.071 -30.803 3.278 421 HD3 LYS 63 HD3 LYS 63 -5.311 -29.945 4.195 422 HE2 LYS 63 HE2 LYS 63 -6.164 -32.203 2.460 423 HE3 LYS 63 HE3 LYS 63 -5.311 -32.586 3.955 424 HZ1 LYS 63 HZ1 LYS 63 -7.282 -32.400 4.933 425 HZ2 LYS 63 HZ2 LYS 63 -7.997 -31.683 3.578 426 HZ3 LYS 63 HZ3 LYS 63 -7.164 -30.729 4.698 427 H VAL 64 H VAL 64 -6.676 -28.969 -1.152 428 HA VAL 64 HA VAL 64 -9.333 -30.246 -1.192 429 HB VAL 64 HB VAL 64 -9.430 -29.879 -3.616 430 HG11 VAL 64 HG11 VAL 64 -10.164 -27.669 -3.528 431 HG12 VAL 64 HG12 VAL 64 -10.288 -28.213 -1.853 432 HG13 VAL 64 HG13 VAL 64 -8.929 -27.206 -2.356 433 HG21 VAL 64 HG21 VAL 64 -7.480 -27.808 -3.879 434 HG22 VAL 64 HG22 VAL 64 -6.689 -29.277 -3.307 435 HG23 VAL 64 HG23 VAL 64 -7.635 -29.307 -4.795 436 H GLY 65 H GLY 65 -6.341 -31.030 -0.707 437 HA2 GLY 65 HA2 GLY 65 -6.605 -33.659 -1.816 438 HA3 GLY 65 HA3 GLY 65 -5.378 -32.715 -2.646 439 H GLU 66 H GLU 66 -3.885 -34.355 -1.886 440 HA GLU 66 HA GLU 66 -2.902 -33.708 0.798 441 HB2 GLU 66 HB2 GLU 66 -2.570 -36.531 0.076 442 HB3 GLU 66 HB3 GLU 66 -3.031 -35.807 1.611 443 HG2 GLU 66 HG2 GLU 66 -5.317 -35.471 0.694 444 HG3 GLU 66 HG3 GLU 66 -4.821 -36.365 -0.742 445 HA PRO 67 HA PRO 67 -1.250 -35.115 1.999 446 HB2 PRO 67 HB2 PRO 67 0.945 -33.902 3.040 447 HB3 PRO 67 HB3 PRO 67 0.978 -35.537 2.370 448 HG2 PRO 67 HG2 PRO 67 1.812 -32.954 1.107 449 HG3 PRO 67 HG3 PRO 67 2.622 -34.532 1.068 450 HD2 PRO 67 HD2 PRO 67 1.120 -33.615 -0.990 451 HD3 PRO 67 HD3 PRO 67 1.241 -35.341 -0.592 452 H ASN 68 H ASN 68 -0.003 -31.990 0.833 453 HA ASN 68 HA ASN 68 -2.049 -30.657 2.471 454 HB2 ASN 68 HB2 ASN 68 0.366 -30.533 3.387 455 HB3 ASN 68 HB3 ASN 68 0.668 -29.437 2.042 456 HD21 ASN 68 HD21 ASN 68 -1.895 -29.931 4.451 457 HD22 ASN 68 HD22 ASN 68 -2.008 -28.271 4.917 458 H LYS 69 H LYS 69 -2.590 -31.239 -0.093 459 HA LYS 69 HA LYS 69 -1.768 -29.247 -1.952 460 HB2 LYS 69 HB2 LYS 69 -2.740 -31.590 -2.419 461 HB3 LYS 69 HB3 LYS 69 -4.312 -30.841 -2.170 462 HG2 LYS 69 HG2 LYS 69 -3.154 -29.120 -3.935 463 HG3 LYS 69 HG3 LYS 69 -2.484 -30.672 -4.444 464 HD2 LYS 69 HD2 LYS 69 -5.367 -30.685 -3.859 465 HD3 LYS 69 HD3 LYS 69 -4.887 -29.701 -5.244 466 HE2 LYS 69 HE2 LYS 69 -4.155 -32.598 -4.821 467 HE3 LYS 69 HE3 LYS 69 -5.448 -32.019 -5.871 468 HZ1 LYS 69 HZ1 LYS 69 -3.657 -30.701 -7.037 469 HZ2 LYS 69 HZ2 LYS 69 -3.612 -32.377 -7.259 470 HZ3 LYS 69 HZ3 LYS 69 -2.530 -31.637 -6.189 471 H LEU 70 H LEU 70 -2.153 -27.187 -1.279 472 HA LEU 70 HA LEU 70 -4.864 -26.473 -0.427 473 HB2 LEU 70 HB2 LEU 70 -2.186 -25.455 0.094 474 HB3 LEU 70 HB3 LEU 70 -3.333 -24.180 -0.313 475 HG LEU 70 HG LEU 70 -4.780 -24.894 1.528 476 HD11 LEU 70 HD11 LEU 70 -2.606 -26.910 2.073 477 HD12 LEU 70 HD12 LEU 70 -4.263 -27.253 1.575 478 HD13 LEU 70 HD13 LEU 70 -3.948 -26.540 3.157 479 HD21 LEU 70 HD21 LEU 70 -2.338 -24.697 3.063 480 HD22 LEU 70 HD22 LEU 70 -3.657 -23.539 2.888 481 HD23 LEU 70 HD23 LEU 70 -2.346 -23.567 1.708 482 H ARG 71 H ARG 71 -6.180 -25.168 -1.588 483 HA ARG 71 HA ARG 71 -5.124 -23.865 -3.989 484 HB2 ARG 71 HB2 ARG 71 -7.431 -25.809 -3.909 485 HB3 ARG 71 HB3 ARG 71 -7.193 -24.668 -5.226 486 HG2 ARG 71 HG2 ARG 71 -4.782 -25.755 -5.248 487 HG3 ARG 71 HG3 ARG 71 -5.658 -27.104 -4.521 488 HD2 ARG 71 HD2 ARG 71 -6.169 -25.783 -7.178 489 HD3 ARG 71 HD3 ARG 71 -5.655 -27.444 -6.878 490 HE ARG 71 HE ARG 71 -8.094 -27.096 -5.596 491 HH11 ARG 71 HH11 ARG 71 -6.836 -27.048 -8.843 492 HH12 ARG 71 HH12 ARG 71 -8.319 -27.578 -9.565 493 HH21 ARG 71 HH21 ARG 71 -10.052 -27.794 -6.536 494 HH22 ARG 71 HH22 ARG 71 -10.147 -28.002 -8.252 495 H CYS 72 H CYS 72 -6.345 -22.087 -4.720 496 HA CYS 72 HA CYS 72 -7.650 -20.625 -2.668 497 HB2 CYS 72 HB2 CYS 72 -6.916 -20.175 -5.496 498 HB3 CYS 72 HB3 CYS 72 -8.286 -19.239 -4.909 499 H GLN 73 H GLN 73 -9.777 -20.231 -2.287 500 HA GLN 73 HA GLN 73 -11.788 -21.222 -4.145 501 HB2 GLN 73 HB2 GLN 73 -11.212 -23.093 -2.558 502 HB3 GLN 73 HB3 GLN 73 -11.814 -22.082 -1.251 503 HG2 GLN 73 HG2 GLN 73 -13.415 -23.797 -2.135 504 HG3 GLN 73 HG3 GLN 73 -14.017 -22.141 -2.087 505 HE21 GLN 73 HE21 GLN 73 -11.882 -23.726 -4.415 506 HE22 GLN 73 HE22 GLN 73 -12.904 -23.482 -5.787 507 H GLU 74 H GLU 74 -13.416 -19.825 -4.295 508 HA GLU 74 HA GLU 74 -13.495 -17.387 -3.000 509 HB2 GLU 74 HB2 GLU 74 -15.946 -17.355 -3.726 510 HB3 GLU 74 HB3 GLU 74 -14.739 -17.569 -4.987 511 HG2 GLU 74 HG2 GLU 74 -15.344 -19.724 -5.400 512 HG3 GLU 74 HG3 GLU 74 -15.907 -20.000 -3.753 513 H GLU 75 H GLU 75 -13.815 -16.908 -0.939 514 HA GLU 75 HA GLU 75 -14.856 -18.743 0.947 515 HB2 GLU 75 HB2 GLU 75 -13.272 -16.637 1.210 516 HB3 GLU 75 HB3 GLU 75 -14.793 -15.818 1.536 517 HG2 GLU 75 HG2 GLU 75 -15.174 -17.756 3.220 518 HG3 GLU 75 HG3 GLU 75 -13.427 -17.959 3.098 519 H SER 76 H SER 76 -16.757 -18.519 2.256 520 HA SER 76 HA SER 76 -18.896 -16.851 1.167 521 HB2 SER 76 HB2 SER 76 -18.897 -19.851 1.274 522 HB3 SER 76 HB3 SER 76 -20.411 -18.962 1.436 523 HG SER 76 HG SER 76 -20.268 -19.186 -0.695 Start of MODEL 18 1 H1 SER 1 H SER 1 2.059 0.442 0.637 2 HA SER 1 HA SER 1 1.778 -0.330 -2.174 3 HB2 SER 1 HB2 SER 1 3.734 1.456 -0.727 4 HB3 SER 1 HB3 SER 1 3.968 0.960 -2.403 5 HG SER 1 HG SER 1 2.455 2.296 -3.006 6 H VAL 2 H VAL 2 2.944 -1.921 -3.099 7 HA VAL 2 HA VAL 2 4.375 -3.730 -1.366 8 HB VAL 2 HB VAL 2 3.911 -3.869 -4.348 9 HG11 VAL 2 HG11 VAL 2 5.372 -5.581 -2.451 10 HG12 VAL 2 HG12 VAL 2 4.280 -6.422 -3.553 11 HG13 VAL 2 HG13 VAL 2 5.563 -5.394 -4.194 12 HG21 VAL 2 HG21 VAL 2 1.851 -3.893 -2.961 13 HG22 VAL 2 HG22 VAL 2 2.116 -5.393 -3.851 14 HG23 VAL 2 HG23 VAL 2 2.474 -5.316 -2.126 15 H THR 3 H THR 3 6.538 -4.225 -1.411 16 HA THR 3 HA THR 3 8.263 -2.690 -3.219 17 HB THR 3 HB THR 3 8.836 -2.934 -0.263 18 HG1 THR 3 HG1 THR 3 7.160 -1.501 -0.401 19 HG21 THR 3 HG21 THR 3 10.898 -2.563 -1.173 20 HG22 THR 3 HG22 THR 3 10.338 -0.894 -1.078 21 HG23 THR 3 HG23 THR 3 10.243 -1.771 -2.605 22 H CYS 4 H CYS 4 9.324 -4.188 -4.336 23 HA CYS 4 HA CYS 4 10.561 -6.410 -2.857 24 HB2 CYS 4 HB2 CYS 4 9.415 -6.684 -5.637 25 HB3 CYS 4 HB3 CYS 4 10.031 -7.965 -4.599 26 H GLY 5 H GLY 5 12.681 -6.633 -3.200 27 HA2 GLY 5 HA2 GLY 5 14.770 -6.387 -4.125 28 HA3 GLY 5 HA3 GLY 5 13.969 -6.174 -5.675 29 H GLY 6 H GLY 6 13.618 -4.166 -2.783 30 HA2 GLY 6 HA2 GLY 6 14.095 -1.951 -2.410 31 HA3 GLY 6 HA3 GLY 6 15.402 -2.128 -3.572 32 H LYS 7 H LYS 7 12.224 -2.897 -4.640 33 HA LYS 7 HA LYS 7 11.915 -0.245 -5.861 34 HB2 LYS 7 HB2 LYS 7 12.131 -2.882 -7.238 35 HB3 LYS 7 HB3 LYS 7 11.024 -1.687 -7.899 36 HG2 LYS 7 HG2 LYS 7 13.794 -0.827 -7.270 37 HG3 LYS 7 HG3 LYS 7 13.533 -1.846 -8.686 38 HD2 LYS 7 HD2 LYS 7 11.985 -0.257 -9.612 39 HD3 LYS 7 HD3 LYS 7 12.037 0.715 -8.140 40 HE2 LYS 7 HE2 LYS 7 13.503 1.891 -9.441 41 HE3 LYS 7 HE3 LYS 7 14.619 0.762 -8.675 42 HZ1 LYS 7 HZ1 LYS 7 13.878 1.008 -11.437 43 HZ2 LYS 7 HZ2 LYS 7 13.774 -0.582 -10.872 44 HZ3 LYS 7 HZ3 LYS 7 15.231 0.266 -10.744 45 H GLN 8 H GLN 8 9.812 0.432 -6.174 46 HA GLN 8 HA GLN 8 7.803 -1.071 -4.698 47 HB2 GLN 8 HB2 GLN 8 8.112 1.747 -5.602 48 HB3 GLN 8 HB3 GLN 8 6.476 1.136 -5.395 49 HG2 GLN 8 HG2 GLN 8 6.708 0.881 -3.127 50 HG3 GLN 8 HG3 GLN 8 8.463 0.737 -3.213 51 HE21 GLN 8 HE21 GLN 8 9.242 2.335 -2.024 52 HE22 GLN 8 HE22 GLN 8 8.799 4.000 -2.158 53 H CYS 9 H CYS 9 6.030 -2.006 -5.568 54 HA CYS 9 HA CYS 9 5.648 -1.746 -8.478 55 HB2 CYS 9 HB2 CYS 9 5.791 -4.187 -6.757 56 HB3 CYS 9 HB3 CYS 9 4.727 -4.202 -8.161 57 H LYS 10 H LYS 10 3.416 -2.541 -9.149 58 HA LYS 10 HA LYS 10 1.462 -0.991 -7.840 59 HB2 LYS 10 HB2 LYS 10 1.500 -2.926 -10.091 60 HB3 LYS 10 HB3 LYS 10 -0.059 -2.621 -9.338 61 HG2 LYS 10 HG2 LYS 10 0.349 -0.175 -9.701 62 HG3 LYS 10 HG3 LYS 10 1.762 -0.627 -10.659 63 HD2 LYS 10 HD2 LYS 10 0.299 -1.950 -12.140 64 HD3 LYS 10 HD3 LYS 10 -1.100 -1.423 -11.202 65 HE2 LYS 10 HE2 LYS 10 -0.289 0.961 -11.732 66 HE3 LYS 10 HE3 LYS 10 0.701 0.196 -12.974 67 HZ1 LYS 10 HZ1 LYS 10 -1.055 0.078 -14.292 68 HZ2 LYS 10 HZ2 LYS 10 -1.977 0.906 -13.141 69 HZ3 LYS 10 HZ3 LYS 10 -1.935 -0.785 -13.134 70 HA PRO 11 HA PRO 11 -0.242 -3.607 -4.759 71 HB2 PRO 11 HB2 PRO 11 -2.904 -3.126 -4.984 72 HB3 PRO 11 HB3 PRO 11 -1.767 -1.946 -4.322 73 HG2 PRO 11 HG2 PRO 11 -2.936 -2.114 -7.074 74 HG3 PRO 11 HG3 PRO 11 -2.700 -0.690 -6.044 75 HD2 PRO 11 HD2 PRO 11 -1.016 -1.318 -8.070 76 HD3 PRO 11 HD3 PRO 11 -0.467 -0.512 -6.587 77 H ASN 12 H ASN 12 -2.025 -5.292 -4.376 78 HA ASN 12 HA ASN 12 -2.905 -7.332 -4.863 79 HB2 ASN 12 HB2 ASN 12 -3.162 -6.287 -7.689 80 HB3 ASN 12 HB3 ASN 12 -4.073 -7.607 -6.962 81 HD21 ASN 12 HD21 ASN 12 -3.765 -4.208 -7.326 82 HD22 ASN 12 HD22 ASN 12 -5.195 -3.764 -6.462 83 H SER 13 H SER 13 -0.021 -6.818 -5.167 84 HA SER 13 HA SER 13 0.612 -9.224 -6.704 85 HB2 SER 13 HB2 SER 13 2.336 -8.226 -7.974 86 HB3 SER 13 HB3 SER 13 0.989 -7.093 -8.090 87 HG SER 13 HG SER 13 3.448 -6.671 -7.132 88 H CYS 14 H CYS 14 1.781 -10.552 -5.500 89 HA CYS 14 HA CYS 14 3.063 -9.550 -3.087 90 HB2 CYS 14 HB2 CYS 14 3.174 -11.812 -2.366 91 HB3 CYS 14 HB3 CYS 14 1.602 -11.623 -3.135 92 H CYS 15 H CYS 15 5.226 -10.548 -2.507 93 HA CYS 15 HA CYS 15 7.045 -10.090 -4.735 94 HB2 CYS 15 HB2 CYS 15 7.717 -10.559 -1.824 95 HB3 CYS 15 HB3 CYS 15 8.783 -9.914 -3.068 96 H VAL 16 H VAL 16 7.906 -11.696 -5.859 97 HA VAL 16 HA VAL 16 8.092 -14.357 -4.599 98 HB VAL 16 HB VAL 16 7.926 -15.268 -6.948 99 HG11 VAL 16 HG11 VAL 16 5.326 -14.121 -6.790 100 HG12 VAL 16 HG12 VAL 16 5.852 -15.737 -6.315 101 HG13 VAL 16 HG13 VAL 16 5.912 -14.412 -5.153 102 HG21 VAL 16 HG21 VAL 16 6.971 -12.467 -7.534 103 HG22 VAL 16 HG22 VAL 16 8.445 -13.211 -8.152 104 HG23 VAL 16 HG23 VAL 16 6.870 -13.840 -8.637 105 H GLN 17 H GLN 17 10.037 -15.304 -4.567 106 HA GLN 17 HA GLN 17 12.300 -13.855 -5.640 107 HB2 GLN 17 HB2 GLN 17 12.045 -15.174 -3.353 108 HB3 GLN 17 HB3 GLN 17 12.596 -16.523 -4.338 109 HG2 GLN 17 HG2 GLN 17 14.036 -13.927 -3.854 110 HG3 GLN 17 HG3 GLN 17 14.475 -15.521 -3.242 111 HE21 GLN 17 HE21 GLN 17 14.772 -13.298 -5.784 112 HE22 GLN 17 HE22 GLN 17 15.675 -14.292 -6.870 113 H ASN 18 H ASN 18 13.250 -14.256 -7.521 114 HA ASN 18 HA ASN 18 13.265 -16.939 -8.632 115 HB2 ASN 18 HB2 ASN 18 11.875 -14.609 -9.939 116 HB3 ASN 18 HB3 ASN 18 12.508 -15.949 -10.889 117 HD21 ASN 18 HD21 ASN 18 9.914 -14.793 -9.108 118 HD22 ASN 18 HD22 ASN 18 8.996 -16.254 -9.014 119 H SER 19 H SER 19 15.394 -17.190 -8.867 120 HA SER 19 HA SER 19 16.909 -15.029 -10.183 121 HB2 SER 19 HB2 SER 19 17.591 -16.839 -7.914 122 HB3 SER 19 HB3 SER 19 18.887 -16.383 -9.020 123 HG SER 19 HG SER 19 18.324 -14.186 -8.607 124 H HIS 20 H HIS 20 18.931 -15.898 -11.305 125 HA HIS 20 HA HIS 20 18.127 -18.208 -12.931 126 HB2 HIS 20 HB2 HIS 20 20.062 -15.953 -13.491 127 HB3 HIS 20 HB3 HIS 20 19.817 -17.328 -14.563 128 HD1 HIS 20 HD1 HIS 20 17.808 -17.269 -16.095 129 HD2 HIS 20 HD2 HIS 20 17.817 -14.184 -13.312 130 HE1 HIS 20 HE1 HIS 20 15.962 -15.717 -16.805 131 H GLY 21 H GLY 21 19.427 -18.350 -10.271 132 HA2 GLY 21 HA2 GLY 21 20.981 -19.715 -9.269 133 HA3 GLY 21 HA3 GLY 21 21.285 -20.409 -10.855 134 H LYS 22 H LYS 22 21.646 -17.005 -10.540 135 HA LYS 22 HA LYS 22 24.467 -17.218 -11.113 136 HB2 LYS 22 HB2 LYS 22 22.787 -15.515 -12.093 137 HB3 LYS 22 HB3 LYS 22 22.995 -14.650 -10.576 138 HG2 LYS 22 HG2 LYS 22 24.585 -13.600 -11.793 139 HG3 LYS 22 HG3 LYS 22 25.557 -14.948 -11.200 140 HD2 LYS 22 HD2 LYS 22 24.053 -15.202 -13.773 141 HD3 LYS 22 HD3 LYS 22 25.596 -14.345 -13.732 142 HE2 LYS 22 HE2 LYS 22 26.443 -16.462 -12.490 143 HE3 LYS 22 HE3 LYS 22 25.014 -17.229 -13.179 144 HZ1 LYS 22 HZ1 LYS 22 26.205 -15.848 -15.248 145 HZ2 LYS 22 HZ2 LYS 22 26.189 -17.524 -15.018 146 HZ3 LYS 22 HZ3 LYS 22 27.479 -16.603 -14.429 147 H GLY 23 H GLY 23 22.452 -16.558 -8.365 148 HA2 GLY 23 HA2 GLY 23 23.389 -16.908 -6.161 149 HA3 GLY 23 HA3 GLY 23 24.890 -16.205 -6.743 150 H LYS 24 H LYS 24 22.089 -14.597 -7.811 151 HA LYS 24 HA LYS 24 22.354 -12.599 -5.661 152 HB2 LYS 24 HB2 LYS 24 22.345 -12.232 -8.632 153 HB3 LYS 24 HB3 LYS 24 21.685 -10.965 -7.607 154 HG2 LYS 24 HG2 LYS 24 23.728 -10.457 -6.684 155 HG3 LYS 24 HG3 LYS 24 24.394 -12.058 -7.015 156 HD2 LYS 24 HD2 LYS 24 25.420 -10.438 -8.485 157 HD3 LYS 24 HD3 LYS 24 24.391 -11.518 -9.429 158 HE2 LYS 24 HE2 LYS 24 22.715 -9.876 -9.664 159 HE3 LYS 24 HE3 LYS 24 23.419 -8.865 -8.403 160 HZ1 LYS 24 HZ1 LYS 24 24.442 -9.334 -11.142 161 HZ2 LYS 24 HZ2 LYS 24 25.398 -8.651 -9.925 162 HZ3 LYS 24 HZ3 LYS 24 23.988 -7.866 -10.434 163 H ASP 25 H ASP 25 20.531 -12.930 -4.520 164 HA ASP 25 HA ASP 25 18.083 -13.837 -5.459 165 HB2 ASP 25 HB2 ASP 25 17.167 -12.596 -3.382 166 HB3 ASP 25 HB3 ASP 25 18.341 -13.886 -3.134 167 H SER 26 H SER 26 17.107 -12.932 -7.172 168 HA SER 26 HA SER 26 16.508 -10.051 -7.021 169 HB2 SER 26 HB2 SER 26 18.193 -10.816 -8.828 170 HB3 SER 26 HB3 SER 26 16.790 -11.516 -9.637 171 HG SER 26 HG SER 26 16.724 -8.841 -8.773 172 HA PRO 27 HA PRO 27 12.507 -12.307 -7.049 173 HB2 PRO 27 HB2 PRO 27 11.247 -10.508 -5.454 174 HB3 PRO 27 HB3 PRO 27 12.230 -11.832 -4.818 175 HG2 PRO 27 HG2 PRO 27 12.952 -8.953 -5.208 176 HG3 PRO 27 HG3 PRO 27 13.306 -10.019 -3.836 177 HD2 PRO 27 HD2 PRO 27 15.138 -9.447 -5.746 178 HD3 PRO 27 HD3 PRO 27 15.092 -11.009 -4.904 179 H ARG 28 H ARG 28 10.353 -11.549 -7.731 180 HA ARG 28 HA ARG 28 10.385 -9.033 -9.237 181 HB2 ARG 28 HB2 ARG 28 10.814 -11.337 -10.549 182 HB3 ARG 28 HB3 ARG 28 9.055 -11.344 -10.536 183 HG2 ARG 28 HG2 ARG 28 8.903 -9.450 -11.847 184 HG3 ARG 28 HG3 ARG 28 10.529 -8.905 -11.426 185 HD2 ARG 28 HD2 ARG 28 10.115 -11.452 -12.946 186 HD3 ARG 28 HD3 ARG 28 10.094 -9.899 -13.779 187 HE ARG 28 HE ARG 28 12.384 -11.262 -12.719 188 HH11 ARG 28 HH11 ARG 28 11.057 -8.159 -13.571 189 HH12 ARG 28 HH12 ARG 28 12.604 -7.417 -13.813 190 HH21 ARG 28 HH21 ARG 28 14.428 -10.297 -13.036 191 HH22 ARG 28 HH22 ARG 28 14.520 -8.635 -13.509 192 H CYS 29 H CYS 29 8.075 -8.646 -10.165 193 HA CYS 29 HA CYS 29 6.228 -9.002 -7.925 194 HB2 CYS 29 HB2 CYS 29 5.884 -7.219 -10.339 195 HB3 CYS 29 HB3 CYS 29 4.993 -7.150 -8.821 196 H HIS 30 H HIS 30 4.517 -10.305 -8.024 197 HA HIS 30 HA HIS 30 3.612 -11.239 -10.666 198 HB2 HIS 30 HB2 HIS 30 4.798 -12.796 -8.593 199 HB3 HIS 30 HB3 HIS 30 3.105 -13.263 -8.724 200 HD1 HIS 30 HD1 HIS 30 5.616 -12.392 -11.452 201 HD2 HIS 30 HD2 HIS 30 3.130 -15.496 -10.248 202 HE1 HIS 30 HE1 HIS 30 5.830 -14.155 -13.232 203 HA PRO 31 HA PRO 31 -0.425 -10.081 -9.378 204 HB2 PRO 31 HB2 PRO 31 -1.914 -11.793 -10.869 205 HB3 PRO 31 HB3 PRO 31 -1.066 -10.406 -11.560 206 HG2 PRO 31 HG2 PRO 31 -0.254 -13.286 -11.508 207 HG3 PRO 31 HG3 PRO 31 -0.149 -12.118 -12.838 208 HD2 PRO 31 HD2 PRO 31 1.984 -12.778 -11.306 209 HD3 PRO 31 HD3 PRO 31 1.780 -11.162 -12.012 210 H LEU 32 H LEU 32 -2.144 -10.711 -8.057 211 HA LEU 32 HA LEU 32 -1.618 -12.705 -6.156 212 HB2 LEU 32 HB2 LEU 32 -4.029 -11.071 -6.839 213 HB3 LEU 32 HB3 LEU 32 -4.131 -12.344 -5.625 214 HG LEU 32 HG LEU 32 -2.181 -10.052 -5.465 215 HD11 LEU 32 HD11 LEU 32 -4.123 -8.871 -5.249 216 HD12 LEU 32 HD12 LEU 32 -3.909 -9.411 -3.584 217 HD13 LEU 32 HD13 LEU 32 -5.032 -10.258 -4.647 218 HD21 LEU 32 HD21 LEU 32 -1.773 -10.754 -3.274 219 HD22 LEU 32 HD22 LEU 32 -1.806 -12.251 -4.207 220 HD23 LEU 32 HD23 LEU 32 -3.205 -11.784 -3.238 221 H GLY 33 H GLY 33 -2.794 -14.649 -5.685 222 HA2 GLY 33 HA2 GLY 33 -3.167 -16.298 -7.972 223 HA3 GLY 33 HA3 GLY 33 -3.500 -16.749 -6.306 224 H LYS 34 H LYS 34 -5.053 -17.417 -8.634 225 HA LYS 34 HA LYS 34 -7.519 -15.888 -8.145 226 HB2 LYS 34 HB2 LYS 34 -8.287 -16.605 -10.306 227 HB3 LYS 34 HB3 LYS 34 -6.663 -15.956 -10.488 228 HG2 LYS 34 HG2 LYS 34 -5.731 -18.146 -10.669 229 HG3 LYS 34 HG3 LYS 34 -7.274 -18.892 -10.249 230 HD2 LYS 34 HD2 LYS 34 -7.271 -19.107 -12.545 231 HD3 LYS 34 HD3 LYS 34 -8.146 -17.588 -12.338 232 HE2 LYS 34 HE2 LYS 34 -6.016 -16.371 -12.698 233 HE3 LYS 34 HE3 LYS 34 -5.224 -17.914 -13.017 234 HZ1 LYS 34 HZ1 LYS 34 -7.496 -17.766 -14.631 235 HZ2 LYS 34 HZ2 LYS 34 -5.875 -17.759 -15.111 236 HZ3 LYS 34 HZ3 LYS 34 -6.670 -16.300 -14.796 237 H LEU 35 H LEU 35 -9.436 -17.581 -8.980 238 HA LEU 35 HA LEU 35 -9.671 -19.384 -6.784 239 HB2 LEU 35 HB2 LEU 35 -11.657 -18.362 -7.536 240 HB3 LEU 35 HB3 LEU 35 -11.356 -18.830 -9.208 241 HG LEU 35 HG LEU 35 -11.779 -21.186 -8.582 242 HD11 LEU 35 HD11 LEU 35 -11.298 -20.439 -6.042 243 HD12 LEU 35 HD12 LEU 35 -12.201 -21.887 -6.484 244 HD13 LEU 35 HD13 LEU 35 -13.062 -20.411 -6.047 245 HD21 LEU 35 HD21 LEU 35 -14.102 -21.010 -8.659 246 HD22 LEU 35 HD22 LEU 35 -13.543 -19.504 -9.388 247 HD23 LEU 35 HD23 LEU 35 -14.116 -19.518 -7.719 248 H ASN 36 H ASN 36 -9.773 -21.638 -6.795 249 HA ASN 36 HA ASN 36 -9.039 -23.724 -7.334 250 HB2 ASN 36 HB2 ASN 36 -9.803 -22.818 -10.119 251 HB3 ASN 36 HB3 ASN 36 -9.510 -24.486 -9.640 252 HD21 ASN 36 HD21 ASN 36 -11.910 -23.180 -10.715 253 HD22 ASN 36 HD22 ASN 36 -13.165 -23.498 -9.572 254 H ASN 37 H ASN 37 -7.084 -21.588 -7.265 255 HA ASN 37 HA ASN 37 -5.091 -22.687 -9.138 256 HB2 ASN 37 HB2 ASN 37 -5.879 -19.956 -8.627 257 HB3 ASN 37 HB3 ASN 37 -4.171 -20.181 -8.262 258 HD21 ASN 37 HD21 ASN 37 -6.506 -21.187 -10.740 259 HD22 ASN 37 HD22 ASN 37 -5.470 -20.865 -12.086 260 HA PRO 38 HA PRO 38 -2.527 -23.806 -5.758 261 HB2 PRO 38 HB2 PRO 38 -0.047 -23.225 -6.696 262 HB3 PRO 38 HB3 PRO 38 -1.006 -24.583 -7.295 263 HG2 PRO 38 HG2 PRO 38 -0.622 -21.863 -8.486 264 HG3 PRO 38 HG3 PRO 38 -0.626 -23.446 -9.288 265 HD2 PRO 38 HD2 PRO 38 -2.770 -21.792 -9.320 266 HD3 PRO 38 HD3 PRO 38 -2.928 -23.561 -9.329 267 H CYS 39 H CYS 39 -2.495 -22.711 -3.901 268 HA CYS 39 HA CYS 39 -1.035 -20.164 -3.799 269 HB2 CYS 39 HB2 CYS 39 -2.714 -19.141 -2.421 270 HB3 CYS 39 HB3 CYS 39 -3.508 -19.757 -3.867 271 H GLU 40 H GLU 40 -0.611 -19.528 -1.449 272 HA GLU 40 HA GLU 40 -0.135 -21.919 0.197 273 HB2 GLU 40 HB2 GLU 40 1.986 -21.401 -0.781 274 HB3 GLU 40 HB3 GLU 40 1.799 -19.690 -0.428 275 HG2 GLU 40 HG2 GLU 40 2.324 -19.941 1.784 276 HG3 GLU 40 HG3 GLU 40 1.796 -21.622 1.831 277 H VAL 41 H VAL 41 -0.181 -21.617 2.439 278 HA VAL 41 HA VAL 41 -2.039 -19.796 3.425 279 HB VAL 41 HB VAL 41 0.156 -21.081 5.052 280 HG11 VAL 41 HG11 VAL 41 -2.057 -21.099 6.598 281 HG12 VAL 41 HG12 VAL 41 -0.852 -19.810 6.618 282 HG13 VAL 41 HG13 VAL 41 -2.328 -19.625 5.669 283 HG21 VAL 41 HG21 VAL 41 -1.942 -22.305 3.529 284 HG22 VAL 41 HG22 VAL 41 -0.689 -23.064 4.511 285 HG23 VAL 41 HG23 VAL 41 -2.214 -22.576 5.250 286 H GLU 42 H GLU 42 1.464 -19.771 4.123 287 HA GLU 42 HA GLU 42 1.434 -16.851 3.972 288 HB2 GLU 42 HB2 GLU 42 2.384 -16.509 6.097 289 HB3 GLU 42 HB3 GLU 42 1.079 -17.655 6.371 290 HG2 GLU 42 HG2 GLU 42 2.694 -19.489 6.388 291 HG3 GLU 42 HG3 GLU 42 4.000 -18.337 6.123 292 HA PRO 43 HA PRO 43 5.310 -17.334 1.972 293 HB2 PRO 43 HB2 PRO 43 6.559 -15.030 2.678 294 HB3 PRO 43 HB3 PRO 43 5.223 -15.083 1.522 295 HG2 PRO 43 HG2 PRO 43 5.185 -14.371 4.429 296 HG3 PRO 43 HG3 PRO 43 4.358 -13.583 3.073 297 HD2 PRO 43 HD2 PRO 43 3.099 -15.292 4.753 298 HD3 PRO 43 HD3 PRO 43 2.659 -15.141 3.040 299 H ASN 44 H ASN 44 7.798 -16.676 2.573 300 HA ASN 44 HA ASN 44 8.508 -18.520 4.640 301 HB2 ASN 44 HB2 ASN 44 10.488 -16.636 3.414 302 HB3 ASN 44 HB3 ASN 44 10.691 -18.325 3.870 303 HD21 ASN 44 HD21 ASN 44 11.023 -16.655 1.326 304 HD22 ASN 44 HD22 ASN 44 10.250 -17.615 0.115 305 H GLU 45 H GLU 45 10.696 -17.464 5.872 306 HA GLU 45 HA GLU 45 9.533 -15.944 7.960 307 HB2 GLU 45 HB2 GLU 45 11.704 -15.963 8.975 308 HB3 GLU 45 HB3 GLU 45 11.450 -17.530 8.221 309 HG2 GLU 45 HG2 GLU 45 12.801 -16.805 6.302 310 HG3 GLU 45 HG3 GLU 45 13.093 -15.267 7.112 311 H ASN 46 H ASN 46 10.915 -15.064 4.973 312 HA ASN 46 HA ASN 46 11.519 -12.343 5.852 313 HB2 ASN 46 HB2 ASN 46 12.034 -13.854 3.294 314 HB3 ASN 46 HB3 ASN 46 12.256 -12.109 3.404 315 HD21 ASN 46 HD21 ASN 46 13.937 -14.792 3.330 316 HD22 ASN 46 HD22 ASN 46 15.239 -14.414 4.403 317 H GLY 47 H GLY 47 9.171 -14.163 4.038 318 HA2 GLY 47 HA2 GLY 47 6.936 -13.327 3.794 319 HA3 GLY 47 HA3 GLY 47 7.593 -11.697 3.730 320 H ILE 48 H ILE 48 8.920 -14.397 1.931 321 HA ILE 48 HA ILE 48 7.942 -13.138 -0.549 322 HB ILE 48 HB ILE 48 10.525 -14.667 -0.241 323 HG12 ILE 48 HG12 ILE 48 10.091 -11.678 -0.427 324 HG13 ILE 48 HG13 ILE 48 10.571 -12.547 1.027 325 HG21 ILE 48 HG21 ILE 48 11.028 -13.682 -2.455 326 HG22 ILE 48 HG22 ILE 48 9.639 -14.768 -2.480 327 HG23 ILE 48 HG23 ILE 48 9.393 -13.022 -2.499 328 HD11 ILE 48 HD11 ILE 48 12.599 -11.818 0.312 329 HD12 ILE 48 HD12 ILE 48 12.531 -13.362 -0.538 330 HD13 ILE 48 HD13 ILE 48 12.145 -11.868 -1.391 331 H TYR 49 H TYR 49 7.337 -14.487 -2.259 332 HA TYR 49 HA TYR 49 6.695 -17.235 -1.440 333 HB2 TYR 49 HB2 TYR 49 5.445 -15.361 -3.439 334 HB3 TYR 49 HB3 TYR 49 5.097 -17.086 -3.443 335 HD1 TYR 49 HD1 TYR 49 4.865 -14.002 -1.406 336 HD2 TYR 49 HD2 TYR 49 3.570 -18.025 -1.900 337 HE1 TYR 49 HE1 TYR 49 3.140 -13.651 0.311 338 HE2 TYR 49 HE2 TYR 49 1.841 -17.685 -0.184 339 HH TYR 49 HH TYR 49 1.340 -16.247 1.665 340 H SER 50 H SER 50 6.330 -18.566 -3.688 341 HA SER 50 HA SER 50 9.009 -18.648 -4.859 342 HB2 SER 50 HB2 SER 50 6.916 -20.630 -4.283 343 HB3 SER 50 HB3 SER 50 7.697 -20.844 -5.850 344 HG SER 50 HG SER 50 9.091 -21.865 -4.605 345 H GLN 51 H GLN 51 5.881 -19.578 -6.252 346 HA GLN 51 HA GLN 51 6.481 -17.842 -8.555 347 HB2 GLN 51 HB2 GLN 51 5.583 -20.688 -8.447 348 HB3 GLN 51 HB3 GLN 51 5.031 -19.679 -9.778 349 HG2 GLN 51 HG2 GLN 51 6.915 -20.592 -10.684 350 HG3 GLN 51 HG3 GLN 51 7.567 -19.101 -10.004 351 HE21 GLN 51 HE21 GLN 51 7.541 -22.534 -9.864 352 HE22 GLN 51 HE22 GLN 51 8.770 -22.714 -8.663 353 H HIS 52 H HIS 52 3.774 -19.700 -7.153 354 HA HIS 52 HA HIS 52 1.826 -17.857 -8.163 355 HB2 HIS 52 HB2 HIS 52 0.231 -19.218 -6.789 356 HB3 HIS 52 HB3 HIS 52 1.184 -20.161 -7.930 357 HD1 HIS 52 HD1 HIS 52 0.813 -19.488 -4.253 358 HD2 HIS 52 HD2 HIS 52 2.866 -22.051 -6.797 359 HE1 HIS 52 HE1 HIS 52 1.810 -21.254 -2.766 360 H CYS 53 H CYS 53 0.309 -16.664 -6.817 361 HA CYS 53 HA CYS 53 1.630 -15.576 -4.422 362 HB2 CYS 53 HB2 CYS 53 -0.100 -14.353 -6.535 363 HB3 CYS 53 HB3 CYS 53 -0.106 -13.655 -4.918 364 HA PRO 54 HA PRO 54 -1.641 -16.850 -1.792 365 HB2 PRO 54 HB2 PRO 54 -1.897 -14.730 -0.117 366 HB3 PRO 54 HB3 PRO 54 -0.518 -15.834 -0.064 367 HG2 PRO 54 HG2 PRO 54 -0.735 -13.134 -1.338 368 HG3 PRO 54 HG3 PRO 54 0.591 -13.815 -0.378 369 HD2 PRO 54 HD2 PRO 54 0.654 -13.710 -3.083 370 HD3 PRO 54 HD3 PRO 54 1.433 -15.011 -2.160 371 H CYS 55 H CYS 55 -3.823 -16.287 -0.973 372 HA CYS 55 HA CYS 55 -5.455 -15.277 -3.061 373 HB2 CYS 55 HB2 CYS 55 -6.123 -15.950 -0.188 374 HB3 CYS 55 HB3 CYS 55 -7.314 -15.591 -1.434 375 H GLY 56 H GLY 56 -6.163 -13.279 -3.458 376 HA2 GLY 56 HA2 GLY 56 -6.336 -11.328 -1.298 377 HA3 GLY 56 HA3 GLY 56 -5.203 -10.960 -2.590 378 H GLU 57 H GLU 57 -7.980 -12.720 -3.527 379 HA GLU 57 HA GLU 57 -9.289 -10.249 -4.446 380 HB2 GLU 57 HB2 GLU 57 -9.766 -11.233 -6.577 381 HB3 GLU 57 HB3 GLU 57 -8.042 -11.408 -6.280 382 HG2 GLU 57 HG2 GLU 57 -8.316 -13.719 -5.700 383 HG3 GLU 57 HG3 GLU 57 -10.070 -13.576 -5.798 384 H GLY 58 H GLY 58 -9.789 -12.039 -2.138 385 HA2 GLY 58 HA2 GLY 58 -11.881 -12.384 -1.092 386 HA3 GLY 58 HA3 GLY 58 -12.632 -12.476 -2.679 387 H LEU 59 H LEU 59 -9.731 -14.266 -2.078 388 HA LEU 59 HA LEU 59 -11.313 -16.747 -2.115 389 HB2 LEU 59 HB2 LEU 59 -8.441 -16.310 -2.919 390 HB3 LEU 59 HB3 LEU 59 -9.329 -17.829 -3.032 391 HG LEU 59 HG LEU 59 -10.335 -15.437 -4.509 392 HD11 LEU 59 HD11 LEU 59 -8.917 -15.841 -6.367 393 HD12 LEU 59 HD12 LEU 59 -8.216 -17.269 -5.607 394 HD13 LEU 59 HD13 LEU 59 -7.874 -15.667 -4.954 395 HD21 LEU 59 HD21 LEU 59 -10.312 -18.379 -5.166 396 HD22 LEU 59 HD22 LEU 59 -11.188 -17.107 -6.017 397 HD23 LEU 59 HD23 LEU 59 -11.640 -17.537 -4.368 398 H SER 60 H SER 60 -10.020 -18.643 -1.102 399 HA SER 60 HA SER 60 -8.481 -17.866 1.241 400 HB2 SER 60 HB2 SER 60 -11.158 -18.067 1.591 401 HB3 SER 60 HB3 SER 60 -10.685 -19.744 1.863 402 HG SER 60 HG SER 60 -9.741 -17.440 3.222 403 H CYS 61 H CYS 61 -6.807 -19.192 1.359 404 HA CYS 61 HA CYS 61 -6.416 -21.428 -0.239 405 HB2 CYS 61 HB2 CYS 61 -5.072 -20.248 2.116 406 HB3 CYS 61 HB3 CYS 61 -4.737 -21.951 1.824 407 H THR 62 H THR 62 -7.576 -23.232 -0.239 408 HA THR 62 HA THR 62 -8.194 -24.495 2.349 409 HB THR 62 HB THR 62 -10.235 -23.483 1.327 410 HG1 THR 62 HG1 THR 62 -10.640 -25.203 2.644 411 HG21 THR 62 HG21 THR 62 -9.636 -23.816 -1.031 412 HG22 THR 62 HG22 THR 62 -11.206 -24.528 -0.656 413 HG23 THR 62 HG23 THR 62 -9.785 -25.560 -0.820 414 H LYS 63 H LYS 63 -7.787 -26.639 2.502 415 HA LYS 63 HA LYS 63 -6.138 -27.870 0.553 416 HB2 LYS 63 HB2 LYS 63 -6.387 -28.264 3.156 417 HB3 LYS 63 HB3 LYS 63 -7.542 -29.485 2.638 418 HG2 LYS 63 HG2 LYS 63 -5.857 -30.627 1.371 419 HG3 LYS 63 HG3 LYS 63 -4.689 -29.341 1.687 420 HD2 LYS 63 HD2 LYS 63 -4.316 -30.020 3.832 421 HD3 LYS 63 HD3 LYS 63 -5.950 -30.656 4.030 422 HE2 LYS 63 HE2 LYS 63 -4.112 -31.999 2.110 423 HE3 LYS 63 HE3 LYS 63 -3.865 -32.258 3.836 424 HZ1 LYS 63 HZ1 LYS 63 -6.592 -32.537 3.300 425 HZ2 LYS 63 HZ2 LYS 63 -5.501 -33.725 3.808 426 HZ3 LYS 63 HZ3 LYS 63 -5.755 -33.461 2.156 427 H VAL 64 H VAL 64 -6.666 -28.997 -1.198 428 HA VAL 64 HA VAL 64 -9.377 -30.141 -1.372 429 HB VAL 64 HB VAL 64 -9.412 -29.638 -3.767 430 HG11 VAL 64 HG11 VAL 64 -9.103 -26.960 -3.290 431 HG12 VAL 64 HG12 VAL 64 -10.550 -27.903 -2.926 432 HG13 VAL 64 HG13 VAL 64 -9.349 -27.607 -1.668 433 HG21 VAL 64 HG21 VAL 64 -6.757 -28.332 -3.203 434 HG22 VAL 64 HG22 VAL 64 -7.099 -29.645 -4.330 435 HG23 VAL 64 HG23 VAL 64 -7.705 -28.022 -4.657 436 H GLY 65 H GLY 65 -6.434 -31.078 -0.863 437 HA2 GLY 65 HA2 GLY 65 -6.779 -33.636 -2.098 438 HA3 GLY 65 HA3 GLY 65 -5.507 -32.706 -2.874 439 H GLU 66 H GLU 66 -4.018 -34.341 -2.201 440 HA GLU 66 HA GLU 66 -2.923 -33.788 0.425 441 HB2 GLU 66 HB2 GLU 66 -2.720 -36.406 0.698 442 HB3 GLU 66 HB3 GLU 66 -4.147 -35.542 1.253 443 HG2 GLU 66 HG2 GLU 66 -5.363 -36.171 -0.719 444 HG3 GLU 66 HG3 GLU 66 -3.922 -36.908 -1.418 445 HA PRO 67 HA PRO 67 -1.436 -35.312 1.680 446 HB2 PRO 67 HB2 PRO 67 0.974 -34.366 2.497 447 HB3 PRO 67 HB3 PRO 67 0.721 -36.040 1.991 448 HG2 PRO 67 HG2 PRO 67 1.858 -33.744 0.443 449 HG3 PRO 67 HG3 PRO 67 2.419 -35.424 0.526 450 HD2 PRO 67 HD2 PRO 67 0.952 -34.477 -1.545 451 HD3 PRO 67 HD3 PRO 67 0.837 -36.158 -0.983 452 H ASN 68 H ASN 68 0.327 -32.540 0.285 453 HA ASN 68 HA ASN 68 -1.401 -30.763 1.877 454 HB2 ASN 68 HB2 ASN 68 0.982 -30.825 2.659 455 HB3 ASN 68 HB3 ASN 68 1.463 -30.200 1.084 456 HD21 ASN 68 HD21 ASN 68 1.858 -28.122 1.114 457 HD22 ASN 68 HD22 ASN 68 1.048 -26.938 2.076 458 H LYS 69 H LYS 69 -2.771 -30.898 -0.072 459 HA LYS 69 HA LYS 69 -1.772 -29.235 -2.283 460 HB2 LYS 69 HB2 LYS 69 -2.569 -31.496 -2.895 461 HB3 LYS 69 HB3 LYS 69 -4.149 -31.104 -2.231 462 HG2 LYS 69 HG2 LYS 69 -4.576 -30.651 -4.402 463 HG3 LYS 69 HG3 LYS 69 -3.926 -29.077 -3.938 464 HD2 LYS 69 HD2 LYS 69 -2.068 -31.199 -4.922 465 HD3 LYS 69 HD3 LYS 69 -3.048 -30.299 -6.083 466 HE2 LYS 69 HE2 LYS 69 -2.151 -28.213 -4.815 467 HE3 LYS 69 HE3 LYS 69 -0.901 -29.316 -4.244 468 HZ1 LYS 69 HZ1 LYS 69 -0.599 -27.953 -6.441 469 HZ2 LYS 69 HZ2 LYS 69 -1.476 -29.233 -7.116 470 HZ3 LYS 69 HZ3 LYS 69 -0.015 -29.535 -6.317 471 H LEU 70 H LEU 70 -2.157 -27.201 -1.450 472 HA LEU 70 HA LEU 70 -4.868 -26.553 -0.568 473 HB2 LEU 70 HB2 LEU 70 -2.193 -25.435 -0.147 474 HB3 LEU 70 HB3 LEU 70 -3.447 -24.225 -0.410 475 HG LEU 70 HG LEU 70 -4.697 -25.062 1.490 476 HD11 LEU 70 HD11 LEU 70 -4.159 -27.413 1.345 477 HD12 LEU 70 HD12 LEU 70 -3.737 -26.804 2.943 478 HD13 LEU 70 HD13 LEU 70 -2.475 -27.083 1.745 479 HD21 LEU 70 HD21 LEU 70 -3.489 -23.819 2.890 480 HD22 LEU 70 HD22 LEU 70 -2.304 -23.690 1.591 481 HD23 LEU 70 HD23 LEU 70 -2.123 -24.934 2.828 482 H ARG 71 H ARG 71 -6.186 -25.093 -1.597 483 HA ARG 71 HA ARG 71 -5.226 -23.827 -4.051 484 HB2 ARG 71 HB2 ARG 71 -6.518 -26.182 -4.276 485 HB3 ARG 71 HB3 ARG 71 -7.898 -25.092 -4.245 486 HG2 ARG 71 HG2 ARG 71 -7.457 -25.279 -6.499 487 HG3 ARG 71 HG3 ARG 71 -6.609 -23.792 -6.071 488 HD2 ARG 71 HD2 ARG 71 -5.048 -24.941 -7.352 489 HD3 ARG 71 HD3 ARG 71 -4.570 -25.322 -5.699 490 HE ARG 71 HE ARG 71 -6.334 -27.303 -6.581 491 HH11 ARG 71 HH11 ARG 71 -3.128 -26.121 -7.249 492 HH12 ARG 71 HH12 ARG 71 -2.531 -27.658 -7.780 493 HH21 ARG 71 HH21 ARG 71 -5.560 -29.332 -7.278 494 HH22 ARG 71 HH22 ARG 71 -3.915 -29.484 -7.797 495 H CYS 72 H CYS 72 -6.325 -21.960 -4.629 496 HA CYS 72 HA CYS 72 -7.594 -20.556 -2.516 497 HB2 CYS 72 HB2 CYS 72 -6.766 -19.992 -5.284 498 HB3 CYS 72 HB3 CYS 72 -8.162 -19.069 -4.737 499 H GLN 73 H GLN 73 -9.690 -20.262 -2.035 500 HA GLN 73 HA GLN 73 -11.732 -21.024 -3.984 501 HB2 GLN 73 HB2 GLN 73 -11.136 -22.949 -2.376 502 HB3 GLN 73 HB3 GLN 73 -11.938 -21.987 -1.143 503 HG2 GLN 73 HG2 GLN 73 -13.403 -23.691 -2.128 504 HG3 GLN 73 HG3 GLN 73 -14.007 -22.051 -2.364 505 HE21 GLN 73 HE21 GLN 73 -11.502 -23.832 -4.108 506 HE22 GLN 73 HE22 GLN 73 -12.274 -23.759 -5.652 507 H GLU 74 H GLU 74 -13.352 -19.603 -4.044 508 HA GLU 74 HA GLU 74 -13.354 -17.213 -2.668 509 HB2 GLU 74 HB2 GLU 74 -15.710 -16.969 -3.407 510 HB3 GLU 74 HB3 GLU 74 -14.633 -17.487 -4.696 511 HG2 GLU 74 HG2 GLU 74 -15.421 -19.878 -3.952 512 HG3 GLU 74 HG3 GLU 74 -16.798 -18.982 -3.316 513 H GLU 75 H GLU 75 -13.616 -16.791 -0.586 514 HA GLU 75 HA GLU 75 -14.683 -18.675 1.252 515 HB2 GLU 75 HB2 GLU 75 -12.977 -16.667 1.558 516 HB3 GLU 75 HB3 GLU 75 -14.442 -15.794 1.981 517 HG2 GLU 75 HG2 GLU 75 -14.817 -17.896 3.535 518 HG3 GLU 75 HG3 GLU 75 -13.062 -17.996 3.408 519 H SER 76 H SER 76 -16.530 -18.403 2.630 520 HA SER 76 HA SER 76 -18.663 -16.759 1.436 521 HB2 SER 76 HB2 SER 76 -20.250 -18.504 1.737 522 HB3 SER 76 HB3 SER 76 -18.842 -19.267 1.001 523 HG SER 76 HG SER 76 -19.501 -20.530 2.716 Start of MODEL 19 1 H1 SER 1 H SER 1 2.419 -0.284 1.667 2 HA SER 1 HA SER 1 1.659 -0.584 -1.140 3 HB2 SER 1 HB2 SER 1 3.920 0.734 -1.587 4 HB3 SER 1 HB3 SER 1 2.388 1.586 -1.395 5 HG SER 1 HG SER 1 3.131 2.464 0.358 6 H VAL 2 H VAL 2 2.990 -1.948 -2.327 7 HA VAL 2 HA VAL 2 4.602 -3.754 -0.727 8 HB VAL 2 HB VAL 2 3.917 -3.893 -3.666 9 HG11 VAL 2 HG11 VAL 2 4.414 -6.441 -2.612 10 HG12 VAL 2 HG12 VAL 2 5.412 -5.535 -3.751 11 HG13 VAL 2 HG13 VAL 2 5.715 -5.409 -2.018 12 HG21 VAL 2 HG21 VAL 2 1.874 -4.050 -2.513 13 HG22 VAL 2 HG22 VAL 2 2.347 -5.718 -2.836 14 HG23 VAL 2 HG23 VAL 2 2.578 -5.031 -1.228 15 H THR 3 H THR 3 6.762 -3.847 -0.704 16 HA THR 3 HA THR 3 8.284 -2.518 -2.826 17 HB THR 3 HB THR 3 8.871 -2.060 0.104 18 HG1 THR 3 HG1 THR 3 7.180 -0.754 -0.209 19 HG21 THR 3 HG21 THR 3 10.847 -1.313 -0.600 20 HG22 THR 3 HG22 THR 3 10.035 -0.131 -1.627 21 HG23 THR 3 HG23 THR 3 10.423 -1.732 -2.259 22 H CYS 4 H CYS 4 9.500 -4.094 -3.637 23 HA CYS 4 HA CYS 4 11.107 -5.710 -1.795 24 HB2 CYS 4 HB2 CYS 4 9.255 -6.742 -3.927 25 HB3 CYS 4 HB3 CYS 4 10.668 -7.669 -3.434 26 H GLY 5 H GLY 5 13.105 -6.358 -2.597 27 HA2 GLY 5 HA2 GLY 5 14.965 -6.314 -3.949 28 HA3 GLY 5 HA3 GLY 5 13.882 -6.077 -5.313 29 H GLY 6 H GLY 6 13.666 -3.822 -2.720 30 HA2 GLY 6 HA2 GLY 6 14.466 -1.666 -2.464 31 HA3 GLY 6 HA3 GLY 6 15.621 -1.981 -3.751 32 H LYS 7 H LYS 7 12.194 -2.487 -4.179 33 HA LYS 7 HA LYS 7 11.783 0.081 -5.442 34 HB2 LYS 7 HB2 LYS 7 11.949 -2.476 -7.021 35 HB3 LYS 7 HB3 LYS 7 11.008 -1.104 -7.590 36 HG2 LYS 7 HG2 LYS 7 13.250 0.197 -7.168 37 HG3 LYS 7 HG3 LYS 7 13.954 -1.413 -7.337 38 HD2 LYS 7 HD2 LYS 7 13.997 -0.676 -9.517 39 HD3 LYS 7 HD3 LYS 7 12.447 -1.519 -9.475 40 HE2 LYS 7 HE2 LYS 7 11.235 0.425 -9.543 41 HE3 LYS 7 HE3 LYS 7 12.507 1.373 -8.775 42 HZ1 LYS 7 HZ1 LYS 7 13.375 0.378 -11.283 43 HZ2 LYS 7 HZ2 LYS 7 13.272 1.979 -10.750 44 HZ3 LYS 7 HZ3 LYS 7 11.930 1.238 -11.467 45 H GLN 8 H GLN 8 9.584 0.520 -5.900 46 HA GLN 8 HA GLN 8 7.753 -1.113 -4.323 47 HB2 GLN 8 HB2 GLN 8 7.762 1.688 -5.335 48 HB3 GLN 8 HB3 GLN 8 6.202 0.920 -5.064 49 HG2 GLN 8 HG2 GLN 8 6.475 0.838 -2.804 50 HG3 GLN 8 HG3 GLN 8 8.233 0.759 -2.906 51 HE21 GLN 8 HE21 GLN 8 8.326 2.378 -1.290 52 HE22 GLN 8 HE22 GLN 8 8.061 4.039 -1.684 53 H CYS 9 H CYS 9 6.080 -2.255 -5.137 54 HA CYS 9 HA CYS 9 5.761 -2.248 -8.067 55 HB2 CYS 9 HB2 CYS 9 5.383 -4.512 -6.097 56 HB3 CYS 9 HB3 CYS 9 4.994 -4.607 -7.811 57 H LYS 10 H LYS 10 3.624 -2.680 -8.895 58 HA LYS 10 HA LYS 10 1.631 -1.097 -7.782 59 HB2 LYS 10 HB2 LYS 10 1.761 -3.132 -9.931 60 HB3 LYS 10 HB3 LYS 10 0.160 -2.778 -9.296 61 HG2 LYS 10 HG2 LYS 10 0.441 -1.349 -11.132 62 HG3 LYS 10 HG3 LYS 10 0.688 -0.336 -9.708 63 HD2 LYS 10 HD2 LYS 10 3.217 -1.260 -10.230 64 HD3 LYS 10 HD3 LYS 10 2.544 -1.054 -11.848 65 HE2 LYS 10 HE2 LYS 10 2.026 1.144 -9.955 66 HE3 LYS 10 HE3 LYS 10 3.710 0.925 -10.426 67 HZ1 LYS 10 HZ1 LYS 10 2.172 2.432 -11.832 68 HZ2 LYS 10 HZ2 LYS 10 1.617 0.978 -12.491 69 HZ3 LYS 10 HZ3 LYS 10 3.252 1.393 -12.615 70 HA PRO 11 HA PRO 11 -0.405 -3.466 -4.700 71 HB2 PRO 11 HB2 PRO 11 -3.022 -2.901 -5.152 72 HB3 PRO 11 HB3 PRO 11 -1.889 -1.726 -4.472 73 HG2 PRO 11 HG2 PRO 11 -2.858 -2.011 -7.290 74 HG3 PRO 11 HG3 PRO 11 -2.639 -0.539 -6.326 75 HD2 PRO 11 HD2 PRO 11 -0.839 -1.346 -8.181 76 HD3 PRO 11 HD3 PRO 11 -0.367 -0.476 -6.707 77 H ASN 12 H ASN 12 -1.926 -5.227 -4.289 78 HA ASN 12 HA ASN 12 -2.823 -7.272 -4.718 79 HB2 ASN 12 HB2 ASN 12 -3.270 -6.300 -7.543 80 HB3 ASN 12 HB3 ASN 12 -4.147 -7.571 -6.695 81 HD21 ASN 12 HD21 ASN 12 -3.895 -4.230 -7.325 82 HD22 ASN 12 HD22 ASN 12 -5.227 -3.712 -6.354 83 H SER 13 H SER 13 0.016 -6.749 -5.149 84 HA SER 13 HA SER 13 0.601 -9.116 -6.764 85 HB2 SER 13 HB2 SER 13 2.368 -6.706 -7.062 86 HB3 SER 13 HB3 SER 13 2.185 -8.092 -8.139 87 HG SER 13 HG SER 13 0.378 -5.946 -7.738 88 H CYS 14 H CYS 14 1.670 -10.464 -5.493 89 HA CYS 14 HA CYS 14 3.127 -9.479 -3.186 90 HB2 CYS 14 HB2 CYS 14 3.192 -11.730 -2.439 91 HB3 CYS 14 HB3 CYS 14 1.600 -11.511 -3.159 92 H CYS 15 H CYS 15 5.281 -10.545 -2.692 93 HA CYS 15 HA CYS 15 7.007 -10.172 -5.012 94 HB2 CYS 15 HB2 CYS 15 7.843 -10.627 -2.145 95 HB3 CYS 15 HB3 CYS 15 8.815 -9.959 -3.452 96 H VAL 16 H VAL 16 7.955 -11.788 -6.071 97 HA VAL 16 HA VAL 16 7.956 -14.460 -4.823 98 HB VAL 16 HB VAL 16 7.935 -15.327 -7.208 99 HG11 VAL 16 HG11 VAL 16 5.878 -14.635 -5.477 100 HG12 VAL 16 HG12 VAL 16 5.355 -14.030 -7.050 101 HG13 VAL 16 HG13 VAL 16 5.775 -15.732 -6.854 102 HG21 VAL 16 HG21 VAL 16 6.828 -12.618 -7.890 103 HG22 VAL 16 HG22 VAL 16 8.525 -13.030 -8.141 104 HG23 VAL 16 HG23 VAL 16 7.265 -13.935 -8.981 105 H GLN 17 H GLN 17 9.830 -15.568 -4.769 106 HA GLN 17 HA GLN 17 12.223 -14.195 -5.705 107 HB2 GLN 17 HB2 GLN 17 12.342 -14.946 -3.442 108 HB3 GLN 17 HB3 GLN 17 11.793 -16.558 -3.880 109 HG2 GLN 17 HG2 GLN 17 14.247 -16.304 -3.370 110 HG3 GLN 17 HG3 GLN 17 13.839 -17.100 -4.888 111 HE21 GLN 17 HE21 GLN 17 14.263 -13.760 -3.755 112 HE22 GLN 17 HE22 GLN 17 15.295 -13.272 -5.052 113 H ASN 18 H ASN 18 13.304 -14.762 -7.473 114 HA ASN 18 HA ASN 18 13.301 -17.495 -8.425 115 HB2 ASN 18 HB2 ASN 18 11.827 -15.298 -9.809 116 HB3 ASN 18 HB3 ASN 18 12.689 -16.473 -10.797 117 HD21 ASN 18 HD21 ASN 18 9.828 -15.777 -9.280 118 HD22 ASN 18 HD22 ASN 18 9.126 -17.356 -9.278 119 H SER 19 H SER 19 15.438 -17.761 -8.555 120 HA SER 19 HA SER 19 17.012 -15.696 -9.952 121 HB2 SER 19 HB2 SER 19 18.951 -16.926 -8.652 122 HB3 SER 19 HB3 SER 19 17.968 -15.705 -7.845 123 HG SER 19 HG SER 19 18.335 -18.137 -7.048 124 H HIS 20 H HIS 20 19.114 -16.691 -10.877 125 HA HIS 20 HA HIS 20 18.387 -19.165 -12.303 126 HB2 HIS 20 HB2 HIS 20 19.915 -16.732 -13.208 127 HB3 HIS 20 HB3 HIS 20 20.030 -18.267 -14.062 128 HD1 HIS 20 HD1 HIS 20 18.527 -15.302 -14.682 129 HD2 HIS 20 HD2 HIS 20 16.926 -19.112 -14.250 130 HE1 HIS 20 HE1 HIS 20 16.312 -15.241 -15.873 131 H GLY 21 H GLY 21 19.821 -18.861 -9.726 132 HA2 GLY 21 HA2 GLY 21 21.527 -20.008 -8.686 133 HA3 GLY 21 HA3 GLY 21 21.897 -20.749 -10.236 134 H LYS 22 H LYS 22 21.815 -17.293 -9.946 135 HA LYS 22 HA LYS 22 24.643 -17.181 -10.605 136 HB2 LYS 22 HB2 LYS 22 22.961 -15.798 -11.819 137 HB3 LYS 22 HB3 LYS 22 22.653 -14.922 -10.325 138 HG2 LYS 22 HG2 LYS 22 24.755 -13.913 -10.340 139 HG3 LYS 22 HG3 LYS 22 25.408 -15.082 -11.489 140 HD2 LYS 22 HD2 LYS 22 25.081 -13.179 -12.790 141 HD3 LYS 22 HD3 LYS 22 23.639 -14.144 -13.115 142 HE2 LYS 22 HE2 LYS 22 22.724 -12.065 -12.731 143 HE3 LYS 22 HE3 LYS 22 22.631 -12.789 -11.126 144 HZ1 LYS 22 HZ1 LYS 22 25.054 -11.298 -11.778 145 HZ2 LYS 22 HZ2 LYS 22 24.219 -11.417 -10.313 146 HZ3 LYS 22 HZ3 LYS 22 23.642 -10.398 -11.534 147 H GLY 23 H GLY 23 22.508 -16.469 -7.933 148 HA2 GLY 23 HA2 GLY 23 23.376 -16.517 -5.689 149 HA3 GLY 23 HA3 GLY 23 24.881 -15.849 -6.303 150 H LYS 24 H LYS 24 22.083 -14.425 -7.617 151 HA LYS 24 HA LYS 24 22.270 -12.191 -5.704 152 HB2 LYS 24 HB2 LYS 24 22.371 -12.202 -8.680 153 HB3 LYS 24 HB3 LYS 24 21.515 -10.876 -7.902 154 HG2 LYS 24 HG2 LYS 24 24.246 -11.570 -6.946 155 HG3 LYS 24 HG3 LYS 24 24.068 -10.701 -8.472 156 HD2 LYS 24 HD2 LYS 24 24.234 -8.961 -6.968 157 HD3 LYS 24 HD3 LYS 24 22.484 -9.159 -7.082 158 HE2 LYS 24 HE2 LYS 24 22.378 -10.295 -5.019 159 HE3 LYS 24 HE3 LYS 24 24.122 -10.550 -4.981 160 HZ1 LYS 24 HZ1 LYS 24 24.517 -8.415 -4.318 161 HZ2 LYS 24 HZ2 LYS 24 23.023 -8.676 -3.568 162 HZ3 LYS 24 HZ3 LYS 24 23.102 -7.800 -5.014 163 H ASP 25 H ASP 25 20.448 -12.416 -4.539 164 HA ASP 25 HA ASP 25 18.020 -13.474 -5.421 165 HB2 ASP 25 HB2 ASP 25 17.060 -12.187 -3.429 166 HB3 ASP 25 HB3 ASP 25 18.338 -13.348 -3.086 167 H SER 26 H SER 26 16.887 -12.718 -7.086 168 HA SER 26 HA SER 26 16.267 -9.843 -7.144 169 HB2 SER 26 HB2 SER 26 17.826 -10.019 -8.900 170 HB3 SER 26 HB3 SER 26 17.206 -11.588 -9.413 171 HG SER 26 HG SER 26 15.875 -10.579 -10.672 172 HA PRO 27 HA PRO 27 12.348 -12.240 -7.116 173 HB2 PRO 27 HB2 PRO 27 11.001 -10.412 -5.629 174 HB3 PRO 27 HB3 PRO 27 12.021 -11.667 -4.916 175 HG2 PRO 27 HG2 PRO 27 12.647 -8.786 -5.437 176 HG3 PRO 27 HG3 PRO 27 13.016 -9.771 -4.009 177 HD2 PRO 27 HD2 PRO 27 14.856 -9.227 -5.919 178 HD3 PRO 27 HD3 PRO 27 14.852 -10.747 -5.001 179 H ARG 28 H ARG 28 10.176 -11.587 -7.858 180 HA ARG 28 HA ARG 28 10.181 -9.173 -9.530 181 HB2 ARG 28 HB2 ARG 28 10.580 -11.580 -10.656 182 HB3 ARG 28 HB3 ARG 28 8.821 -11.573 -10.622 183 HG2 ARG 28 HG2 ARG 28 10.038 -9.107 -11.639 184 HG3 ARG 28 HG3 ARG 28 10.331 -10.545 -12.618 185 HD2 ARG 28 HD2 ARG 28 7.702 -10.840 -12.128 186 HD3 ARG 28 HD3 ARG 28 7.823 -9.081 -12.088 187 HE ARG 28 HE ARG 28 8.209 -9.082 -14.352 188 HH11 ARG 28 HH11 ARG 28 8.502 -12.325 -13.118 189 HH12 ARG 28 HH12 ARG 28 8.584 -13.054 -14.688 190 HH21 ARG 28 HH21 ARG 28 8.315 -10.030 -16.424 191 HH22 ARG 28 HH22 ARG 28 8.478 -11.748 -16.567 192 H CYS 29 H CYS 29 7.995 -8.516 -10.218 193 HA CYS 29 HA CYS 29 6.120 -8.887 -8.023 194 HB2 CYS 29 HB2 CYS 29 5.780 -7.073 -10.411 195 HB3 CYS 29 HB3 CYS 29 4.993 -6.954 -8.840 196 H HIS 30 H HIS 30 4.595 -10.384 -8.122 197 HA HIS 30 HA HIS 30 3.523 -11.132 -10.763 198 HB2 HIS 30 HB2 HIS 30 4.740 -12.767 -8.774 199 HB3 HIS 30 HB3 HIS 30 3.035 -13.200 -8.859 200 HD1 HIS 30 HD1 HIS 30 5.481 -12.310 -11.639 201 HD2 HIS 30 HD2 HIS 30 2.953 -15.385 -10.447 202 HE1 HIS 30 HE1 HIS 30 5.597 -14.026 -13.473 203 HA PRO 31 HA PRO 31 -0.460 -9.944 -9.339 204 HB2 PRO 31 HB2 PRO 31 -2.014 -11.580 -10.848 205 HB3 PRO 31 HB3 PRO 31 -1.158 -10.185 -11.515 206 HG2 PRO 31 HG2 PRO 31 -0.397 -13.080 -11.576 207 HG3 PRO 31 HG3 PRO 31 -0.302 -11.870 -12.869 208 HD2 PRO 31 HD2 PRO 31 1.854 -12.617 -11.412 209 HD3 PRO 31 HD3 PRO 31 1.662 -10.975 -12.060 210 H LEU 32 H LEU 32 -2.216 -10.618 -8.057 211 HA LEU 32 HA LEU 32 -1.669 -12.651 -6.197 212 HB2 LEU 32 HB2 LEU 32 -4.094 -11.014 -6.833 213 HB3 LEU 32 HB3 LEU 32 -4.176 -12.310 -5.642 214 HG LEU 32 HG LEU 32 -2.262 -9.988 -5.466 215 HD11 LEU 32 HD11 LEU 32 -4.069 -9.618 -3.472 216 HD12 LEU 32 HD12 LEU 32 -5.101 -10.208 -4.774 217 HD13 LEU 32 HD13 LEU 32 -4.097 -8.780 -5.023 218 HD21 LEU 32 HD21 LEU 32 -1.644 -12.072 -4.271 219 HD22 LEU 32 HD22 LEU 32 -3.162 -11.969 -3.379 220 HD23 LEU 32 HD23 LEU 32 -1.943 -10.707 -3.195 221 H GLY 33 H GLY 33 -2.681 -14.657 -5.823 222 HA2 GLY 33 HA2 GLY 33 -3.109 -16.232 -8.126 223 HA3 GLY 33 HA3 GLY 33 -3.432 -16.727 -6.471 224 H LYS 34 H LYS 34 -4.988 -17.361 -8.803 225 HA LYS 34 HA LYS 34 -7.467 -15.865 -8.274 226 HB2 LYS 34 HB2 LYS 34 -8.221 -16.468 -10.449 227 HB3 LYS 34 HB3 LYS 34 -6.564 -15.910 -10.628 228 HG2 LYS 34 HG2 LYS 34 -5.772 -18.187 -10.779 229 HG3 LYS 34 HG3 LYS 34 -7.402 -18.799 -10.486 230 HD2 LYS 34 HD2 LYS 34 -6.968 -16.918 -12.756 231 HD3 LYS 34 HD3 LYS 34 -6.434 -18.591 -12.932 232 HE2 LYS 34 HE2 LYS 34 -8.760 -19.263 -12.185 233 HE3 LYS 34 HE3 LYS 34 -9.214 -17.573 -12.391 234 HZ1 LYS 34 HZ1 LYS 34 -8.609 -17.700 -14.704 235 HZ2 LYS 34 HZ2 LYS 34 -9.718 -18.926 -14.350 236 HZ3 LYS 34 HZ3 LYS 34 -8.077 -19.296 -14.525 237 H LEU 35 H LEU 35 -9.385 -17.529 -9.103 238 HA LEU 35 HA LEU 35 -9.552 -19.422 -6.974 239 HB2 LEU 35 HB2 LEU 35 -11.547 -18.319 -7.627 240 HB3 LEU 35 HB3 LEU 35 -11.333 -18.789 -9.311 241 HG LEU 35 HG LEU 35 -11.741 -21.151 -8.638 242 HD11 LEU 35 HD11 LEU 35 -11.699 -19.922 -6.000 243 HD12 LEU 35 HD12 LEU 35 -11.505 -21.611 -6.469 244 HD13 LEU 35 HD13 LEU 35 -13.121 -20.930 -6.272 245 HD21 LEU 35 HD21 LEU 35 -14.031 -19.401 -7.794 246 HD22 LEU 35 HD22 LEU 35 -14.078 -20.949 -8.639 247 HD23 LEU 35 HD23 LEU 35 -13.502 -19.506 -9.473 248 H ASN 36 H ASN 36 -9.654 -21.671 -7.082 249 HA ASN 36 HA ASN 36 -9.058 -23.752 -7.780 250 HB2 ASN 36 HB2 ASN 36 -10.139 -22.463 -10.221 251 HB3 ASN 36 HB3 ASN 36 -9.179 -23.917 -10.469 252 HD21 ASN 36 HD21 ASN 36 -11.407 -22.994 -7.879 253 HD22 ASN 36 HD22 ASN 36 -12.466 -24.344 -8.073 254 H ASN 37 H ASN 37 -7.094 -21.464 -7.699 255 HA ASN 37 HA ASN 37 -5.026 -22.641 -9.436 256 HB2 ASN 37 HB2 ASN 37 -5.788 -19.888 -8.919 257 HB3 ASN 37 HB3 ASN 37 -4.083 -20.159 -8.569 258 HD21 ASN 37 HD21 ASN 37 -6.491 -21.005 -11.036 259 HD22 ASN 37 HD22 ASN 37 -5.448 -20.735 -12.388 260 HA PRO 38 HA PRO 38 -2.607 -23.769 -5.954 261 HB2 PRO 38 HB2 PRO 38 -0.087 -23.216 -6.797 262 HB3 PRO 38 HB3 PRO 38 -1.035 -24.568 -7.427 263 HG2 PRO 38 HG2 PRO 38 -0.579 -21.857 -8.613 264 HG3 PRO 38 HG3 PRO 38 -0.566 -23.442 -9.407 265 HD2 PRO 38 HD2 PRO 38 -2.691 -21.768 -9.530 266 HD3 PRO 38 HD3 PRO 38 -2.865 -23.534 -9.539 267 H CYS 39 H CYS 39 -2.458 -22.747 -4.068 268 HA CYS 39 HA CYS 39 -1.079 -20.160 -3.951 269 HB2 CYS 39 HB2 CYS 39 -2.766 -19.167 -2.582 270 HB3 CYS 39 HB3 CYS 39 -3.579 -19.833 -3.995 271 H GLU 40 H GLU 40 -0.668 -19.542 -1.587 272 HA GLU 40 HA GLU 40 -0.184 -21.926 0.059 273 HB2 GLU 40 HB2 GLU 40 1.931 -21.510 -0.974 274 HB3 GLU 40 HB3 GLU 40 1.815 -19.784 -0.662 275 HG2 GLU 40 HG2 GLU 40 2.313 -20.019 1.581 276 HG3 GLU 40 HG3 GLU 40 1.842 -21.718 1.612 277 H VAL 41 H VAL 41 -0.213 -21.599 2.284 278 HA VAL 41 HA VAL 41 -1.970 -19.721 3.298 279 HB VAL 41 HB VAL 41 0.279 -21.031 4.833 280 HG11 VAL 41 HG11 VAL 41 -2.399 -20.060 5.818 281 HG12 VAL 41 HG12 VAL 41 -1.068 -20.696 6.785 282 HG13 VAL 41 HG13 VAL 41 -0.899 -19.146 5.962 283 HG21 VAL 41 HG21 VAL 41 -1.606 -22.669 5.418 284 HG22 VAL 41 HG22 VAL 41 -2.429 -22.023 3.999 285 HG23 VAL 41 HG23 VAL 41 -0.860 -22.810 3.826 286 H GLU 42 H GLU 42 1.534 -19.704 3.977 287 HA GLU 42 HA GLU 42 1.530 -16.789 3.688 288 HB2 GLU 42 HB2 GLU 42 2.395 -18.331 6.124 289 HB3 GLU 42 HB3 GLU 42 3.015 -16.722 5.780 290 HG2 GLU 42 HG2 GLU 42 0.578 -15.992 5.657 291 HG3 GLU 42 HG3 GLU 42 0.203 -17.543 6.406 292 HA PRO 43 HA PRO 43 5.378 -17.340 1.653 293 HB2 PRO 43 HB2 PRO 43 6.699 -15.072 2.350 294 HB3 PRO 43 HB3 PRO 43 5.344 -15.084 1.216 295 HG2 PRO 43 HG2 PRO 43 5.372 -14.386 4.126 296 HG3 PRO 43 HG3 PRO 43 4.544 -13.569 2.788 297 HD2 PRO 43 HD2 PRO 43 3.267 -15.253 4.480 298 HD3 PRO 43 HD3 PRO 43 2.805 -15.082 2.775 299 H ASN 44 H ASN 44 7.893 -16.725 2.230 300 HA ASN 44 HA ASN 44 8.582 -18.599 4.286 301 HB2 ASN 44 HB2 ASN 44 10.618 -16.804 3.031 302 HB3 ASN 44 HB3 ASN 44 10.737 -18.511 3.450 303 HD21 ASN 44 HD21 ASN 44 11.126 -16.821 0.934 304 HD22 ASN 44 HD22 ASN 44 10.275 -17.707 -0.281 305 H GLU 45 H GLU 45 10.841 -17.594 5.448 306 HA GLU 45 HA GLU 45 9.791 -16.059 7.572 307 HB2 GLU 45 HB2 GLU 45 12.726 -16.322 6.960 308 HB3 GLU 45 HB3 GLU 45 11.951 -16.151 8.528 309 HG2 GLU 45 HG2 GLU 45 10.851 -18.467 7.523 310 HG3 GLU 45 HG3 GLU 45 12.528 -18.537 6.985 311 H ASN 46 H ASN 46 11.257 -15.201 4.568 312 HA ASN 46 HA ASN 46 11.835 -12.480 5.407 313 HB2 ASN 46 HB2 ASN 46 12.307 -14.079 2.919 314 HB3 ASN 46 HB3 ASN 46 12.347 -12.319 2.832 315 HD21 ASN 46 HD21 ASN 46 14.164 -15.022 3.301 316 HD22 ASN 46 HD22 ASN 46 15.521 -14.317 4.105 317 H GLY 47 H GLY 47 9.379 -14.262 3.704 318 HA2 GLY 47 HA2 GLY 47 7.147 -13.400 3.565 319 HA3 GLY 47 HA3 GLY 47 7.819 -11.778 3.486 320 H ILE 48 H ILE 48 9.031 -14.474 1.602 321 HA ILE 48 HA ILE 48 7.936 -13.193 -0.816 322 HB ILE 48 HB ILE 48 10.543 -14.705 -0.658 323 HG12 ILE 48 HG12 ILE 48 10.087 -11.715 -0.764 324 HG13 ILE 48 HG13 ILE 48 10.638 -12.609 0.650 325 HG21 ILE 48 HG21 ILE 48 9.563 -14.772 -2.851 326 HG22 ILE 48 HG22 ILE 48 9.278 -13.033 -2.822 327 HG23 ILE 48 HG23 ILE 48 10.927 -13.655 -2.872 328 HD11 ILE 48 HD11 ILE 48 12.089 -12.062 -1.908 329 HD12 ILE 48 HD12 ILE 48 12.575 -11.697 -0.253 330 HD13 ILE 48 HD13 ILE 48 12.584 -13.364 -0.826 331 H TYR 49 H TYR 49 7.281 -14.539 -2.516 332 HA TYR 49 HA TYR 49 6.670 -17.286 -1.681 333 HB2 TYR 49 HB2 TYR 49 5.376 -15.410 -3.648 334 HB3 TYR 49 HB3 TYR 49 5.038 -17.137 -3.667 335 HD1 TYR 49 HD1 TYR 49 4.764 -14.054 -1.652 336 HD2 TYR 49 HD2 TYR 49 3.602 -18.128 -2.046 337 HE1 TYR 49 HE1 TYR 49 3.067 -13.733 0.099 338 HE2 TYR 49 HE2 TYR 49 1.901 -17.819 -0.297 339 HH TYR 49 HH TYR 49 1.426 -16.343 1.568 340 H SER 50 H SER 50 6.260 -18.631 -3.911 341 HA SER 50 HA SER 50 8.916 -18.740 -5.123 342 HB2 SER 50 HB2 SER 50 6.812 -20.687 -4.516 343 HB3 SER 50 HB3 SER 50 7.520 -20.898 -6.117 344 HG SER 50 HG SER 50 8.780 -20.988 -3.596 345 H GLN 51 H GLN 51 5.768 -19.613 -6.504 346 HA GLN 51 HA GLN 51 6.372 -17.854 -8.789 347 HB2 GLN 51 HB2 GLN 51 5.440 -20.693 -8.715 348 HB3 GLN 51 HB3 GLN 51 4.910 -19.661 -10.035 349 HG2 GLN 51 HG2 GLN 51 7.398 -19.122 -10.346 350 HG3 GLN 51 HG3 GLN 51 7.684 -20.538 -9.335 351 HE21 GLN 51 HE21 GLN 51 8.192 -19.917 -12.226 352 HE22 GLN 51 HE22 GLN 51 7.492 -21.243 -13.084 353 H HIS 52 H HIS 52 3.664 -19.700 -7.374 354 HA HIS 52 HA HIS 52 1.727 -17.822 -8.352 355 HB2 HIS 52 HB2 HIS 52 0.120 -19.201 -7.011 356 HB3 HIS 52 HB3 HIS 52 1.063 -20.125 -8.176 357 HD1 HIS 52 HD1 HIS 52 0.753 -19.506 -4.476 358 HD2 HIS 52 HD2 HIS 52 2.675 -22.092 -7.099 359 HE1 HIS 52 HE1 HIS 52 1.722 -21.326 -3.037 360 H CYS 53 H CYS 53 0.224 -16.648 -6.975 361 HA CYS 53 HA CYS 53 1.564 -15.627 -4.562 362 HB2 CYS 53 HB2 CYS 53 -0.157 -14.350 -6.643 363 HB3 CYS 53 HB3 CYS 53 -0.195 -13.700 -5.008 364 HA PRO 54 HA PRO 54 -1.690 -16.945 -1.932 365 HB2 PRO 54 HB2 PRO 54 -1.943 -14.853 -0.220 366 HB3 PRO 54 HB3 PRO 54 -0.560 -15.955 -0.194 367 HG2 PRO 54 HG2 PRO 54 -0.793 -13.234 -1.421 368 HG3 PRO 54 HG3 PRO 54 0.541 -13.927 -0.480 369 HD2 PRO 54 HD2 PRO 54 0.588 -13.777 -3.183 370 HD3 PRO 54 HD3 PRO 54 1.376 -15.091 -2.287 371 H CYS 55 H CYS 55 -3.869 -16.403 -1.090 372 HA CYS 55 HA CYS 55 -5.513 -15.356 -3.152 373 HB2 CYS 55 HB2 CYS 55 -6.168 -16.101 -0.294 374 HB3 CYS 55 HB3 CYS 55 -7.365 -15.715 -1.525 375 H GLY 56 H GLY 56 -6.190 -13.344 -3.513 376 HA2 GLY 56 HA2 GLY 56 -6.395 -11.450 -1.304 377 HA3 GLY 56 HA3 GLY 56 -5.246 -11.049 -2.573 378 H GLU 57 H GLU 57 -8.016 -12.784 -3.582 379 HA GLU 57 HA GLU 57 -9.307 -10.289 -4.462 380 HB2 GLU 57 HB2 GLU 57 -9.768 -11.231 -6.617 381 HB3 GLU 57 HB3 GLU 57 -8.047 -11.414 -6.307 382 HG2 GLU 57 HG2 GLU 57 -8.329 -13.736 -5.780 383 HG3 GLU 57 HG3 GLU 57 -10.083 -13.588 -5.885 384 H GLY 58 H GLY 58 -9.839 -12.117 -2.194 385 HA2 GLY 58 HA2 GLY 58 -11.943 -12.476 -1.177 386 HA3 GLY 58 HA3 GLY 58 -12.678 -12.535 -2.772 387 H LEU 59 H LEU 59 -9.790 -14.348 -2.178 388 HA LEU 59 HA LEU 59 -11.380 -16.821 -2.281 389 HB2 LEU 59 HB2 LEU 59 -8.495 -16.387 -3.037 390 HB3 LEU 59 HB3 LEU 59 -9.395 -17.893 -3.200 391 HG LEU 59 HG LEU 59 -10.353 -15.453 -4.632 392 HD11 LEU 59 HD11 LEU 59 -7.883 -15.724 -5.043 393 HD12 LEU 59 HD12 LEU 59 -8.911 -15.813 -6.472 394 HD13 LEU 59 HD13 LEU 59 -8.257 -17.290 -5.763 395 HD21 LEU 59 HD21 LEU 59 -10.330 -18.339 -5.481 396 HD22 LEU 59 HD22 LEU 59 -11.307 -17.018 -6.124 397 HD23 LEU 59 HD23 LEU 59 -11.620 -17.638 -4.502 398 H SER 60 H SER 60 -10.161 -18.741 -1.268 399 HA SER 60 HA SER 60 -8.676 -17.988 1.133 400 HB2 SER 60 HB2 SER 60 -11.339 -18.306 1.392 401 HB3 SER 60 HB3 SER 60 -10.829 -19.983 1.573 402 HG SER 60 HG SER 60 -10.896 -18.385 3.487 403 H CYS 61 H CYS 61 -7.026 -19.324 1.473 404 HA CYS 61 HA CYS 61 -6.492 -21.492 -0.260 405 HB2 CYS 61 HB2 CYS 61 -5.171 -20.197 2.032 406 HB3 CYS 61 HB3 CYS 61 -4.784 -21.902 1.831 407 H THR 62 H THR 62 -7.723 -23.267 -0.231 408 HA THR 62 HA THR 62 -8.226 -24.553 2.374 409 HB THR 62 HB THR 62 -10.300 -23.684 1.284 410 HG1 THR 62 HG1 THR 62 -10.432 -26.498 1.231 411 HG21 THR 62 HG21 THR 62 -9.563 -24.086 -1.056 412 HG22 THR 62 HG22 THR 62 -11.159 -24.751 -0.703 413 HG23 THR 62 HG23 THR 62 -9.756 -25.816 -0.782 414 H LYS 63 H LYS 63 -7.945 -26.762 2.527 415 HA LYS 63 HA LYS 63 -6.163 -27.923 0.578 416 HB2 LYS 63 HB2 LYS 63 -6.040 -28.176 3.137 417 HB3 LYS 63 HB3 LYS 63 -7.335 -29.352 2.954 418 HG2 LYS 63 HG2 LYS 63 -5.856 -30.591 1.354 419 HG3 LYS 63 HG3 LYS 63 -4.555 -29.491 1.817 420 HD2 LYS 63 HD2 LYS 63 -4.167 -31.205 3.283 421 HD3 LYS 63 HD3 LYS 63 -5.270 -30.222 4.250 422 HE2 LYS 63 HE2 LYS 63 -7.078 -31.717 3.012 423 HE3 LYS 63 HE3 LYS 63 -5.718 -32.836 2.907 424 HZ1 LYS 63 HZ1 LYS 63 -6.601 -33.428 4.907 425 HZ2 LYS 63 HZ2 LYS 63 -7.157 -31.873 5.271 426 HZ3 LYS 63 HZ3 LYS 63 -5.514 -32.244 5.434 427 H VAL 64 H VAL 64 -6.750 -29.137 -1.089 428 HA VAL 64 HA VAL 64 -9.459 -30.293 -1.096 429 HB VAL 64 HB VAL 64 -9.308 -30.301 -3.549 430 HG11 VAL 64 HG11 VAL 64 -9.747 -28.019 -3.863 431 HG12 VAL 64 HG12 VAL 64 -10.147 -28.321 -2.171 432 HG13 VAL 64 HG13 VAL 64 -8.624 -27.539 -2.592 433 HG21 VAL 64 HG21 VAL 64 -6.862 -30.511 -3.714 434 HG22 VAL 64 HG22 VAL 64 -7.485 -29.188 -4.700 435 HG23 VAL 64 HG23 VAL 64 -6.695 -28.844 -3.161 436 H GLY 65 H GLY 65 -6.075 -30.983 -1.353 437 HA2 GLY 65 HA2 GLY 65 -6.734 -33.845 -1.601 438 HA3 GLY 65 HA3 GLY 65 -5.466 -33.141 -2.596 439 H GLU 66 H GLU 66 -4.106 -34.784 -1.587 440 HA GLU 66 HA GLU 66 -3.095 -33.857 1.018 441 HB2 GLU 66 HB2 GLU 66 -2.423 -36.401 1.227 442 HB3 GLU 66 HB3 GLU 66 -4.018 -35.840 1.711 443 HG2 GLU 66 HG2 GLU 66 -5.047 -36.749 -0.156 444 HG3 GLU 66 HG3 GLU 66 -3.538 -36.844 -1.063 445 HA PRO 67 HA PRO 67 -1.423 -35.126 2.321 446 HB2 PRO 67 HB2 PRO 67 0.715 -33.780 3.317 447 HB3 PRO 67 HB3 PRO 67 0.811 -35.452 2.750 448 HG2 PRO 67 HG2 PRO 67 1.585 -32.926 1.341 449 HG3 PRO 67 HG3 PRO 67 2.444 -34.475 1.413 450 HD2 PRO 67 HD2 PRO 67 0.948 -33.736 -0.720 451 HD3 PRO 67 HD3 PRO 67 1.118 -35.429 -0.213 452 H ASN 68 H ASN 68 -0.270 -32.042 0.967 453 HA ASN 68 HA ASN 68 -2.446 -30.680 2.379 454 HB2 ASN 68 HB2 ASN 68 -0.607 -28.775 2.662 455 HB3 ASN 68 HB3 ASN 68 -0.832 -30.032 3.876 456 HD21 ASN 68 HD21 ASN 68 0.771 -30.019 0.714 457 HD22 ASN 68 HD22 ASN 68 2.308 -30.546 1.301 458 H LYS 69 H LYS 69 -3.026 -31.084 -0.032 459 HA LYS 69 HA LYS 69 -1.839 -29.246 -1.909 460 HB2 LYS 69 HB2 LYS 69 -2.666 -31.408 -2.682 461 HB3 LYS 69 HB3 LYS 69 -4.286 -31.010 -2.127 462 HG2 LYS 69 HG2 LYS 69 -4.713 -29.659 -3.894 463 HG3 LYS 69 HG3 LYS 69 -3.032 -29.143 -4.048 464 HD2 LYS 69 HD2 LYS 69 -3.350 -31.974 -4.592 465 HD3 LYS 69 HD3 LYS 69 -4.357 -30.983 -5.650 466 HE2 LYS 69 HE2 LYS 69 -2.470 -30.882 -6.884 467 HE3 LYS 69 HE3 LYS 69 -2.063 -29.588 -5.760 468 HZ1 LYS 69 HZ1 LYS 69 -0.279 -31.261 -6.090 469 HZ2 LYS 69 HZ2 LYS 69 -1.274 -32.419 -5.364 470 HZ3 LYS 69 HZ3 LYS 69 -0.751 -31.079 -4.476 471 H LEU 70 H LEU 70 -2.234 -27.288 -0.679 472 HA LEU 70 HA LEU 70 -4.942 -26.409 -0.265 473 HB2 LEU 70 HB2 LEU 70 -2.231 -25.351 0.250 474 HB3 LEU 70 HB3 LEU 70 -3.512 -24.160 0.035 475 HG LEU 70 HG LEU 70 -4.726 -25.051 1.911 476 HD11 LEU 70 HD11 LEU 70 -2.585 -27.166 1.963 477 HD12 LEU 70 HD12 LEU 70 -4.314 -27.390 1.698 478 HD13 LEU 70 HD13 LEU 70 -3.723 -26.880 3.280 479 HD21 LEU 70 HD21 LEU 70 -3.481 -23.842 3.296 480 HD22 LEU 70 HD22 LEU 70 -2.217 -23.821 2.066 481 HD23 LEU 70 HD23 LEU 70 -2.215 -25.069 3.312 482 H ARG 71 H ARG 71 -6.025 -24.762 -1.356 483 HA ARG 71 HA ARG 71 -4.833 -23.568 -3.710 484 HB2 ARG 71 HB2 ARG 71 -7.178 -25.464 -3.891 485 HB3 ARG 71 HB3 ARG 71 -6.732 -24.340 -5.168 486 HG2 ARG 71 HG2 ARG 71 -4.423 -25.469 -5.068 487 HG3 ARG 71 HG3 ARG 71 -5.258 -26.750 -4.186 488 HD2 ARG 71 HD2 ARG 71 -5.538 -27.560 -6.286 489 HD3 ARG 71 HD3 ARG 71 -6.944 -26.499 -6.233 490 HE ARG 71 HE ARG 71 -5.012 -24.890 -7.213 491 HH11 ARG 71 HH11 ARG 71 -6.141 -28.062 -8.098 492 HH12 ARG 71 HH12 ARG 71 -5.754 -27.874 -9.777 493 HH21 ARG 71 HH21 ARG 71 -4.498 -24.631 -9.420 494 HH22 ARG 71 HH22 ARG 71 -4.820 -25.922 -10.527 495 H CYS 72 H CYS 72 -6.209 -21.910 -4.671 496 HA CYS 72 HA CYS 72 -7.557 -20.392 -2.664 497 HB2 CYS 72 HB2 CYS 72 -6.694 -20.000 -5.446 498 HB3 CYS 72 HB3 CYS 72 -8.175 -19.145 -5.026 499 H GLN 73 H GLN 73 -9.652 -20.332 -2.164 500 HA GLN 73 HA GLN 73 -11.620 -21.308 -4.101 501 HB2 GLN 73 HB2 GLN 73 -10.974 -23.145 -2.493 502 HB3 GLN 73 HB3 GLN 73 -11.651 -22.158 -1.204 503 HG2 GLN 73 HG2 GLN 73 -13.150 -23.953 -2.109 504 HG3 GLN 73 HG3 GLN 73 -13.831 -22.327 -2.087 505 HE21 GLN 73 HE21 GLN 73 -11.573 -23.824 -4.356 506 HE22 GLN 73 HE22 GLN 73 -12.576 -23.639 -5.750 507 H GLU 74 H GLU 74 -13.289 -19.965 -4.279 508 HA GLU 74 HA GLU 74 -13.485 -17.535 -2.989 509 HB2 GLU 74 HB2 GLU 74 -15.924 -17.600 -3.742 510 HB3 GLU 74 HB3 GLU 74 -14.698 -17.774 -4.989 511 HG2 GLU 74 HG2 GLU 74 -15.061 -20.125 -5.126 512 HG3 GLU 74 HG3 GLU 74 -16.109 -20.099 -3.710 513 H GLU 75 H GLU 75 -13.853 -17.060 -0.935 514 HA GLU 75 HA GLU 75 -14.812 -18.923 0.958 515 HB2 GLU 75 HB2 GLU 75 -13.373 -16.720 1.218 516 HB3 GLU 75 HB3 GLU 75 -14.948 -15.989 1.496 517 HG2 GLU 75 HG2 GLU 75 -14.139 -18.426 3.017 518 HG3 GLU 75 HG3 GLU 75 -13.552 -16.837 3.501 519 H SER 76 H SER 76 -16.751 -18.894 2.180 520 HA SER 76 HA SER 76 -19.046 -17.929 0.634 521 HB2 SER 76 HB2 SER 76 -20.359 -19.499 2.074 522 HB3 SER 76 HB3 SER 76 -19.104 -20.297 1.127 523 HG SER 76 HG SER 76 -19.436 -20.343 3.749 Start of MODEL 20 1 H1 SER 1 H SER 1 1.747 0.183 -0.435 2 HA SER 1 HA SER 1 1.488 -0.521 -3.281 3 HB2 SER 1 HB2 SER 1 3.677 1.008 -3.408 4 HB3 SER 1 HB3 SER 1 2.057 1.678 -3.601 5 HG SER 1 HG SER 1 3.876 2.002 -1.553 6 H VAL 2 H VAL 2 2.693 -2.201 -3.872 7 HA VAL 2 HA VAL 2 4.327 -3.574 -1.992 8 HB VAL 2 HB VAL 2 3.080 -4.780 -3.719 9 HG11 VAL 2 HG11 VAL 2 3.142 -3.339 -5.584 10 HG12 VAL 2 HG12 VAL 2 4.905 -3.297 -5.592 11 HG13 VAL 2 HG13 VAL 2 4.056 -4.769 -6.060 12 HG21 VAL 2 HG21 VAL 2 5.805 -5.453 -4.559 13 HG22 VAL 2 HG22 VAL 2 5.586 -5.347 -2.813 14 HG23 VAL 2 HG23 VAL 2 4.585 -6.446 -3.763 15 H THR 3 H THR 3 6.541 -3.846 -1.928 16 HA THR 3 HA THR 3 8.240 -2.475 -3.835 17 HB THR 3 HB THR 3 8.487 -1.724 -0.922 18 HG1 THR 3 HG1 THR 3 7.071 -0.186 -1.252 19 HG21 THR 3 HG21 THR 3 9.912 0.067 -1.809 20 HG22 THR 3 HG22 THR 3 9.666 -0.547 -3.443 21 HG23 THR 3 HG23 THR 3 10.526 -1.524 -2.255 22 H CYS 4 H CYS 4 9.617 -4.056 -4.316 23 HA CYS 4 HA CYS 4 11.173 -5.269 -2.178 24 HB2 CYS 4 HB2 CYS 4 9.386 -6.810 -4.042 25 HB3 CYS 4 HB3 CYS 4 10.830 -7.549 -3.360 26 H GLY 5 H GLY 5 13.252 -5.561 -2.745 27 HA2 GLY 5 HA2 GLY 5 15.122 -5.817 -4.085 28 HA3 GLY 5 HA3 GLY 5 14.055 -6.017 -5.469 29 H GLY 6 H GLY 6 13.564 -3.227 -3.518 30 HA2 GLY 6 HA2 GLY 6 14.094 -1.003 -3.820 31 HA3 GLY 6 HA3 GLY 6 15.400 -1.507 -4.880 32 H LYS 7 H LYS 7 12.100 -2.491 -5.434 33 HA LYS 7 HA LYS 7 11.762 -0.451 -7.502 34 HB2 LYS 7 HB2 LYS 7 12.060 -3.375 -7.952 35 HB3 LYS 7 HB3 LYS 7 10.833 -2.540 -8.896 36 HG2 LYS 7 HG2 LYS 7 13.566 -1.376 -8.778 37 HG3 LYS 7 HG3 LYS 7 13.291 -2.806 -9.777 38 HD2 LYS 7 HD2 LYS 7 12.830 -1.172 -11.308 39 HD3 LYS 7 HD3 LYS 7 11.222 -1.384 -10.610 40 HE2 LYS 7 HE2 LYS 7 11.321 0.596 -9.446 41 HE3 LYS 7 HE3 LYS 7 13.082 0.592 -9.376 42 HZ1 LYS 7 HZ1 LYS 7 11.486 1.093 -11.830 43 HZ2 LYS 7 HZ2 LYS 7 13.169 1.179 -11.694 44 HZ3 LYS 7 HZ3 LYS 7 12.197 2.296 -10.877 45 H GLN 8 H GLN 8 9.705 0.237 -7.712 46 HA GLN 8 HA GLN 8 7.728 -0.899 -5.907 47 HB2 GLN 8 HB2 GLN 8 8.078 1.675 -7.339 48 HB3 GLN 8 HB3 GLN 8 6.423 1.156 -7.047 49 HG2 GLN 8 HG2 GLN 8 6.590 1.406 -4.793 50 HG3 GLN 8 HG3 GLN 8 8.320 1.065 -4.772 51 HE21 GLN 8 HE21 GLN 8 8.857 2.838 -3.553 52 HE22 GLN 8 HE22 GLN 8 8.756 4.456 -4.149 53 H CYS 9 H CYS 9 5.616 -1.502 -6.565 54 HA CYS 9 HA CYS 9 5.156 -1.902 -9.418 55 HB2 CYS 9 HB2 CYS 9 5.678 -4.060 -7.457 56 HB3 CYS 9 HB3 CYS 9 4.321 -4.319 -8.548 57 H LYS 10 H LYS 10 2.903 -2.897 -9.746 58 HA LYS 10 HA LYS 10 1.004 -1.205 -8.542 59 HB2 LYS 10 HB2 LYS 10 0.939 -3.496 -10.422 60 HB3 LYS 10 HB3 LYS 10 -0.560 -3.143 -9.572 61 HG2 LYS 10 HG2 LYS 10 -0.175 -0.719 -10.361 62 HG3 LYS 10 HG3 LYS 10 0.953 -1.441 -11.511 63 HD2 LYS 10 HD2 LYS 10 -0.720 -2.600 -12.620 64 HD3 LYS 10 HD3 LYS 10 -1.819 -2.535 -11.241 65 HE2 LYS 10 HE2 LYS 10 -1.804 0.013 -11.633 66 HE3 LYS 10 HE3 LYS 10 -1.139 -0.385 -13.217 67 HZ1 LYS 10 HZ1 LYS 10 -3.390 -2.006 -12.659 68 HZ2 LYS 10 HZ2 LYS 10 -3.148 -0.926 -13.937 69 HZ3 LYS 10 HZ3 LYS 10 -3.800 -0.374 -12.477 70 HA PRO 11 HA PRO 11 -0.292 -3.275 -4.897 71 HB2 PRO 11 HB2 PRO 11 -2.984 -2.925 -4.946 72 HB3 PRO 11 HB3 PRO 11 -1.850 -1.610 -4.615 73 HG2 PRO 11 HG2 PRO 11 -3.250 -2.308 -7.167 74 HG3 PRO 11 HG3 PRO 11 -2.991 -0.715 -6.433 75 HD2 PRO 11 HD2 PRO 11 -1.468 -1.645 -8.469 76 HD3 PRO 11 HD3 PRO 11 -0.827 -0.569 -7.212 77 H ASN 12 H ASN 12 -1.922 -4.929 -4.048 78 HA ASN 12 HA ASN 12 -2.690 -7.070 -4.071 79 HB2 ASN 12 HB2 ASN 12 -3.537 -6.128 -6.806 80 HB3 ASN 12 HB3 ASN 12 -3.907 -7.752 -6.230 81 HD21 ASN 12 HD21 ASN 12 -4.260 -4.335 -5.424 82 HD22 ASN 12 HD22 ASN 12 -5.760 -4.506 -4.584 83 H SER 13 H SER 13 0.053 -6.704 -4.620 84 HA SER 13 HA SER 13 0.572 -9.162 -6.123 85 HB2 SER 13 HB2 SER 13 2.399 -8.172 -7.372 86 HB3 SER 13 HB3 SER 13 0.936 -7.233 -7.668 87 HG SER 13 HG SER 13 2.493 -5.757 -7.227 88 H CYS 14 H CYS 14 1.790 -10.484 -4.959 89 HA CYS 14 HA CYS 14 3.170 -9.468 -2.609 90 HB2 CYS 14 HB2 CYS 14 3.323 -11.734 -1.891 91 HB3 CYS 14 HB3 CYS 14 1.715 -11.541 -2.582 92 H CYS 15 H CYS 15 5.355 -10.461 -2.106 93 HA CYS 15 HA CYS 15 7.098 -9.963 -4.375 94 HB2 CYS 15 HB2 CYS 15 7.902 -10.598 -1.534 95 HB3 CYS 15 HB3 CYS 15 8.884 -9.836 -2.779 96 H VAL 16 H VAL 16 8.287 -11.452 -5.424 97 HA VAL 16 HA VAL 16 8.329 -14.197 -4.362 98 HB VAL 16 HB VAL 16 8.194 -14.969 -6.780 99 HG11 VAL 16 HG11 VAL 16 5.687 -13.610 -5.833 100 HG12 VAL 16 HG12 VAL 16 5.847 -15.128 -6.717 101 HG13 VAL 16 HG13 VAL 16 6.350 -15.032 -5.029 102 HG21 VAL 16 HG21 VAL 16 7.177 -13.500 -8.393 103 HG22 VAL 16 HG22 VAL 16 7.043 -12.212 -7.196 104 HG23 VAL 16 HG23 VAL 16 8.632 -12.729 -7.760 105 H GLN 17 H GLN 17 10.278 -15.131 -4.352 106 HA GLN 17 HA GLN 17 12.506 -13.670 -5.549 107 HB2 GLN 17 HB2 GLN 17 12.326 -14.643 -3.091 108 HB3 GLN 17 HB3 GLN 17 12.905 -16.106 -3.874 109 HG2 GLN 17 HG2 GLN 17 14.271 -13.456 -3.607 110 HG3 GLN 17 HG3 GLN 17 14.828 -15.048 -3.093 111 HE21 GLN 17 HE21 GLN 17 14.755 -12.746 -5.601 112 HE22 GLN 17 HE22 GLN 17 15.637 -13.652 -6.777 113 H ASN 18 H ASN 18 13.391 -14.292 -7.398 114 HA ASN 18 HA ASN 18 13.535 -17.110 -8.093 115 HB2 ASN 18 HB2 ASN 18 12.692 -16.395 -10.476 116 HB3 ASN 18 HB3 ASN 18 11.533 -16.801 -9.213 117 HD21 ASN 18 HD21 ASN 18 9.859 -15.505 -9.319 118 HD22 ASN 18 HD22 ASN 18 9.902 -13.800 -9.605 119 H SER 19 H SER 19 15.542 -17.474 -8.735 120 HA SER 19 HA SER 19 16.953 -15.364 -10.232 121 HB2 SER 19 HB2 SER 19 19.032 -16.575 -9.079 122 HB3 SER 19 HB3 SER 19 18.169 -15.257 -8.287 123 HG SER 19 HG SER 19 18.228 -17.964 -7.687 124 H HIS 20 H HIS 20 19.102 -16.469 -11.157 125 HA HIS 20 HA HIS 20 18.306 -19.008 -12.421 126 HB2 HIS 20 HB2 HIS 20 19.605 -16.610 -13.727 127 HB3 HIS 20 HB3 HIS 20 19.470 -18.192 -14.490 128 HD1 HIS 20 HD1 HIS 20 17.330 -15.329 -13.282 129 HD2 HIS 20 HD2 HIS 20 17.036 -18.726 -15.657 130 HE1 HIS 20 HE1 HIS 20 15.087 -15.169 -14.411 131 H GLY 21 H GLY 21 20.032 -18.463 -10.103 132 HA2 GLY 21 HA2 GLY 21 21.961 -19.396 -9.258 133 HA3 GLY 21 HA3 GLY 21 22.189 -20.188 -10.811 134 H LYS 22 H LYS 22 21.915 -16.714 -10.299 135 HA LYS 22 HA LYS 22 24.524 -16.368 -11.554 136 HB2 LYS 22 HB2 LYS 22 22.426 -14.326 -10.794 137 HB3 LYS 22 HB3 LYS 22 23.895 -13.991 -11.701 138 HG2 LYS 22 HG2 LYS 22 22.958 -15.813 -13.323 139 HG3 LYS 22 HG3 LYS 22 21.420 -15.412 -12.555 140 HD2 LYS 22 HD2 LYS 22 23.281 -13.426 -13.862 141 HD3 LYS 22 HD3 LYS 22 21.833 -14.105 -14.611 142 HE2 LYS 22 HE2 LYS 22 20.476 -13.148 -12.793 143 HE3 LYS 22 HE3 LYS 22 21.930 -12.435 -12.099 144 HZ1 LYS 22 HZ1 LYS 22 21.438 -11.818 -14.891 145 HZ2 LYS 22 HZ2 LYS 22 21.977 -10.817 -13.639 146 HZ3 LYS 22 HZ3 LYS 22 20.328 -11.160 -13.798 147 H GLY 23 H GLY 23 22.926 -15.916 -8.479 148 HA2 GLY 23 HA2 GLY 23 24.271 -16.015 -6.469 149 HA3 GLY 23 HA3 GLY 23 25.530 -15.144 -7.330 150 H LYS 24 H LYS 24 22.854 -13.642 -8.318 151 HA LYS 24 HA LYS 24 22.899 -11.731 -6.073 152 HB2 LYS 24 HB2 LYS 24 22.618 -11.231 -9.039 153 HB3 LYS 24 HB3 LYS 24 22.303 -10.006 -7.817 154 HG2 LYS 24 HG2 LYS 24 24.459 -9.504 -8.339 155 HG3 LYS 24 HG3 LYS 24 24.726 -10.648 -7.021 156 HD2 LYS 24 HD2 LYS 24 25.106 -12.437 -8.608 157 HD3 LYS 24 HD3 LYS 24 24.724 -11.362 -9.954 158 HE2 LYS 24 HE2 LYS 24 26.683 -10.113 -9.655 159 HE3 LYS 24 HE3 LYS 24 26.941 -10.741 -8.029 160 HZ1 LYS 24 HZ1 LYS 24 27.191 -12.984 -9.204 161 HZ2 LYS 24 HZ2 LYS 24 28.472 -11.884 -9.315 162 HZ3 LYS 24 HZ3 LYS 24 27.409 -12.079 -10.617 163 H ASP 25 H ASP 25 21.120 -12.525 -4.986 164 HA ASP 25 HA ASP 25 18.719 -13.393 -6.036 165 HB2 ASP 25 HB2 ASP 25 17.756 -12.477 -3.802 166 HB3 ASP 25 HB3 ASP 25 18.968 -13.754 -3.746 167 H SER 26 H SER 26 17.302 -12.424 -7.312 168 HA SER 26 HA SER 26 16.719 -9.577 -6.890 169 HB2 SER 26 HB2 SER 26 17.554 -10.915 -9.440 170 HB3 SER 26 HB3 SER 26 16.459 -9.533 -9.498 171 HG SER 26 HG SER 26 18.258 -8.440 -9.418 172 HA PRO 27 HA PRO 27 12.816 -11.998 -6.918 173 HB2 PRO 27 HB2 PRO 27 11.600 -10.447 -5.051 174 HB3 PRO 27 HB3 PRO 27 12.675 -11.786 -4.635 175 HG2 PRO 27 HG2 PRO 27 13.257 -8.851 -4.739 176 HG3 PRO 27 HG3 PRO 27 13.745 -10.046 -3.523 177 HD2 PRO 27 HD2 PRO 27 15.418 -9.181 -5.469 178 HD3 PRO 27 HD3 PRO 27 15.491 -10.828 -4.810 179 H ARG 28 H ARG 28 10.595 -11.271 -7.376 180 HA ARG 28 HA ARG 28 10.414 -8.597 -8.564 181 HB2 ARG 28 HB2 ARG 28 10.879 -10.704 -10.174 182 HB3 ARG 28 HB3 ARG 28 9.125 -10.794 -10.080 183 HG2 ARG 28 HG2 ARG 28 8.823 -8.825 -11.198 184 HG3 ARG 28 HG3 ARG 28 10.378 -8.168 -10.682 185 HD2 ARG 28 HD2 ARG 28 11.487 -9.840 -12.167 186 HD3 ARG 28 HD3 ARG 28 9.892 -10.288 -12.768 187 HE ARG 28 HE ARG 28 9.937 -8.434 -14.090 188 HH11 ARG 28 HH11 ARG 28 12.201 -7.989 -11.483 189 HH12 ARG 28 HH12 ARG 28 12.811 -6.488 -12.094 190 HH21 ARG 28 HH21 ARG 28 10.732 -6.458 -14.907 191 HH22 ARG 28 HH22 ARG 28 11.974 -5.617 -14.042 192 H CYS 29 H CYS 29 8.037 -8.236 -9.317 193 HA CYS 29 HA CYS 29 6.337 -9.014 -7.062 194 HB2 CYS 29 HB2 CYS 29 4.897 -7.131 -7.779 195 HB3 CYS 29 HB3 CYS 29 6.545 -6.621 -7.428 196 H HIS 30 H HIS 30 4.633 -10.319 -7.296 197 HA HIS 30 HA HIS 30 3.736 -10.955 -10.030 198 HB2 HIS 30 HB2 HIS 30 4.823 -12.698 -8.041 199 HB3 HIS 30 HB3 HIS 30 3.134 -13.128 -8.298 200 HD1 HIS 30 HD1 HIS 30 5.703 -12.007 -10.865 201 HD2 HIS 30 HD2 HIS 30 3.305 -15.273 -9.949 202 HE1 HIS 30 HE1 HIS 30 6.014 -13.623 -12.765 203 HA PRO 31 HA PRO 31 -0.324 -9.850 -8.769 204 HB2 PRO 31 HB2 PRO 31 -1.792 -11.433 -10.417 205 HB3 PRO 31 HB3 PRO 31 -0.910 -10.010 -10.986 206 HG2 PRO 31 HG2 PRO 31 -0.133 -12.898 -11.117 207 HG3 PRO 31 HG3 PRO 31 0.022 -11.640 -12.357 208 HD2 PRO 31 HD2 PRO 31 2.106 -12.436 -10.821 209 HD3 PRO 31 HD3 PRO 31 1.939 -10.771 -11.416 210 H LEU 32 H LEU 32 -1.972 -10.500 -7.424 211 HA LEU 32 HA LEU 32 -1.549 -12.658 -5.710 212 HB2 LEU 32 HB2 LEU 32 -3.904 -10.909 -6.289 213 HB3 LEU 32 HB3 LEU 32 -4.068 -12.276 -5.191 214 HG LEU 32 HG LEU 32 -2.065 -10.057 -4.807 215 HD11 LEU 32 HD11 LEU 32 -4.900 -10.336 -3.885 216 HD12 LEU 32 HD12 LEU 32 -4.090 -8.938 -4.588 217 HD13 LEU 32 HD13 LEU 32 -3.718 -9.434 -2.937 218 HD21 LEU 32 HD21 LEU 32 -1.473 -11.067 -2.871 219 HD22 LEU 32 HD22 LEU 32 -2.003 -12.510 -3.736 220 HD23 LEU 32 HD23 LEU 32 -3.087 -11.721 -2.588 221 H GLY 33 H GLY 33 -2.622 -14.651 -5.449 222 HA2 GLY 33 HA2 GLY 33 -3.032 -16.118 -7.815 223 HA3 GLY 33 HA3 GLY 33 -3.453 -16.656 -6.195 224 H LYS 34 H LYS 34 -4.967 -17.273 -8.471 225 HA LYS 34 HA LYS 34 -7.393 -15.655 -8.046 226 HB2 LYS 34 HB2 LYS 34 -8.096 -16.221 -10.273 227 HB3 LYS 34 HB3 LYS 34 -6.450 -15.604 -10.357 228 HG2 LYS 34 HG2 LYS 34 -5.569 -17.814 -10.620 229 HG3 LYS 34 HG3 LYS 34 -7.156 -18.530 -10.333 230 HD2 LYS 34 HD2 LYS 34 -6.824 -16.571 -12.559 231 HD3 LYS 34 HD3 LYS 34 -6.244 -18.224 -12.775 232 HE2 LYS 34 HE2 LYS 34 -8.447 -19.096 -12.288 233 HE3 LYS 34 HE3 LYS 34 -9.043 -17.475 -11.936 234 HZ1 LYS 34 HZ1 LYS 34 -9.137 -16.933 -14.123 235 HZ2 LYS 34 HZ2 LYS 34 -9.374 -18.600 -14.279 236 HZ3 LYS 34 HZ3 LYS 34 -7.845 -17.933 -14.562 237 H LEU 35 H LEU 35 -9.316 -17.247 -9.051 238 HA LEU 35 HA LEU 35 -9.658 -19.184 -6.982 239 HB2 LEU 35 HB2 LEU 35 -11.592 -18.043 -7.706 240 HB3 LEU 35 HB3 LEU 35 -11.272 -18.418 -9.397 241 HG LEU 35 HG LEU 35 -11.825 -20.765 -8.982 242 HD11 LEU 35 HD11 LEU 35 -13.112 -20.490 -6.441 243 HD12 LEU 35 HD12 LEU 35 -11.407 -20.066 -6.294 244 HD13 LEU 35 HD13 LEU 35 -11.872 -21.637 -6.946 245 HD21 LEU 35 HD21 LEU 35 -14.277 -20.323 -8.270 246 HD22 LEU 35 HD22 LEU 35 -13.668 -19.602 -9.760 247 HD23 LEU 35 HD23 LEU 35 -13.800 -18.626 -8.295 248 H ASN 36 H ASN 36 -9.727 -21.414 -7.118 249 HA ASN 36 HA ASN 36 -9.078 -23.483 -7.805 250 HB2 ASN 36 HB2 ASN 36 -9.991 -22.243 -10.389 251 HB3 ASN 36 HB3 ASN 36 -9.335 -23.878 -10.354 252 HD21 ASN 36 HD21 ASN 36 -12.105 -22.336 -10.527 253 HD22 ASN 36 HD22 ASN 36 -13.140 -23.394 -9.635 254 H ASN 37 H ASN 37 -7.039 -21.544 -7.437 255 HA ASN 37 HA ASN 37 -5.022 -22.568 -9.321 256 HB2 ASN 37 HB2 ASN 37 -5.743 -19.807 -8.728 257 HB3 ASN 37 HB3 ASN 37 -4.032 -20.121 -8.453 258 HD21 ASN 37 HD21 ASN 37 -6.581 -20.728 -10.838 259 HD22 ASN 37 HD22 ASN 37 -5.575 -20.501 -12.224 260 HA PRO 38 HA PRO 38 -2.607 -23.763 -5.859 261 HB2 PRO 38 HB2 PRO 38 -0.083 -23.221 -6.699 262 HB3 PRO 38 HB3 PRO 38 -1.044 -24.556 -7.347 263 HG2 PRO 38 HG2 PRO 38 -0.566 -21.834 -8.496 264 HG3 PRO 38 HG3 PRO 38 -0.570 -23.409 -9.312 265 HD2 PRO 38 HD2 PRO 38 -2.679 -21.714 -9.408 266 HD3 PRO 38 HD3 PRO 38 -2.870 -23.480 -9.439 267 H CYS 39 H CYS 39 -2.434 -22.772 -3.959 268 HA CYS 39 HA CYS 39 -1.066 -20.177 -3.825 269 HB2 CYS 39 HB2 CYS 39 -2.726 -19.247 -2.372 270 HB3 CYS 39 HB3 CYS 39 -3.566 -19.880 -3.783 271 H GLU 40 H GLU 40 -0.445 -19.612 -1.552 272 HA GLU 40 HA GLU 40 0.141 -22.038 0.015 273 HB2 GLU 40 HB2 GLU 40 2.196 -21.406 -1.028 274 HB3 GLU 40 HB3 GLU 40 1.955 -19.713 -0.621 275 HG2 GLU 40 HG2 GLU 40 2.487 -20.042 1.614 276 HG3 GLU 40 HG3 GLU 40 2.203 -21.779 1.526 277 H VAL 41 H VAL 41 0.095 -21.851 2.248 278 HA VAL 41 HA VAL 41 -1.751 -20.116 3.378 279 HB VAL 41 HB VAL 41 0.527 -21.460 4.838 280 HG11 VAL 41 HG11 VAL 41 -0.726 -19.723 6.100 281 HG12 VAL 41 HG12 VAL 41 -2.201 -20.655 5.840 282 HG13 VAL 41 HG13 VAL 41 -0.878 -21.341 6.784 283 HG21 VAL 41 HG21 VAL 41 -1.132 -23.280 5.228 284 HG22 VAL 41 HG22 VAL 41 -2.192 -22.501 4.055 285 HG23 VAL 41 HG23 VAL 41 -0.621 -23.122 3.548 286 H GLU 42 H GLU 42 1.746 -20.048 4.091 287 HA GLU 42 HA GLU 42 1.659 -17.122 4.018 288 HB2 GLU 42 HB2 GLU 42 2.559 -18.814 6.341 289 HB3 GLU 42 HB3 GLU 42 3.123 -17.163 6.123 290 HG2 GLU 42 HG2 GLU 42 0.661 -16.514 6.034 291 HG3 GLU 42 HG3 GLU 42 0.339 -18.128 6.664 292 HA PRO 43 HA PRO 43 5.534 -17.409 1.982 293 HB2 PRO 43 HB2 PRO 43 6.783 -15.161 2.854 294 HB3 PRO 43 HB3 PRO 43 5.436 -15.129 1.711 295 HG2 PRO 43 HG2 PRO 43 5.425 -14.647 4.665 296 HG3 PRO 43 HG3 PRO 43 4.581 -13.757 3.383 297 HD2 PRO 43 HD2 PRO 43 3.343 -15.599 4.935 298 HD3 PRO 43 HD3 PRO 43 2.889 -15.316 3.243 299 H ASN 44 H ASN 44 8.027 -16.769 2.621 300 HA ASN 44 HA ASN 44 8.757 -18.768 4.540 301 HB2 ASN 44 HB2 ASN 44 10.746 -16.824 3.440 302 HB3 ASN 44 HB3 ASN 44 10.915 -18.553 3.733 303 HD21 ASN 44 HD21 ASN 44 11.261 -16.663 1.353 304 HD22 ASN 44 HD22 ASN 44 10.449 -17.485 0.068 305 H GLU 45 H GLU 45 10.977 -17.786 5.794 306 HA GLU 45 HA GLU 45 9.866 -16.447 8.017 307 HB2 GLU 45 HB2 GLU 45 12.812 -16.573 7.412 308 HB3 GLU 45 HB3 GLU 45 12.022 -16.544 8.982 309 HG2 GLU 45 HG2 GLU 45 11.001 -18.811 7.795 310 HG3 GLU 45 HG3 GLU 45 12.684 -18.789 7.270 311 H ASN 46 H ASN 46 11.324 -15.321 5.099 312 HA ASN 46 HA ASN 46 11.823 -12.657 6.141 313 HB2 ASN 46 HB2 ASN 46 12.175 -13.886 3.403 314 HB3 ASN 46 HB3 ASN 46 12.497 -12.189 3.747 315 HD21 ASN 46 HD21 ASN 46 13.295 -15.424 4.956 316 HD22 ASN 46 HD22 ASN 46 14.946 -15.066 5.321 317 H GLY 47 H GLY 47 9.410 -14.370 4.310 318 HA2 GLY 47 HA2 GLY 47 7.154 -13.550 4.255 319 HA3 GLY 47 HA3 GLY 47 7.789 -11.913 4.271 320 H ILE 48 H ILE 48 9.043 -14.460 2.216 321 HA ILE 48 HA ILE 48 7.872 -13.077 -0.111 322 HB ILE 48 HB ILE 48 10.550 -14.466 -0.096 323 HG12 ILE 48 HG12 ILE 48 9.964 -11.503 0.078 324 HG13 ILE 48 HG13 ILE 48 10.583 -12.495 1.392 325 HG21 ILE 48 HG21 ILE 48 9.170 -12.673 -2.086 326 HG22 ILE 48 HG22 ILE 48 10.851 -13.193 -2.210 327 HG23 ILE 48 HG23 ILE 48 9.552 -14.384 -2.277 328 HD11 ILE 48 HD11 ILE 48 12.400 -12.997 -0.558 329 HD12 ILE 48 HD12 ILE 48 11.967 -11.321 -0.898 330 HD13 ILE 48 HD13 ILE 48 12.575 -11.770 0.696 331 H TYR 49 H TYR 49 7.314 -14.358 -1.910 332 HA TYR 49 HA TYR 49 6.808 -17.166 -1.223 333 HB2 TYR 49 HB2 TYR 49 5.493 -15.267 -3.157 334 HB3 TYR 49 HB3 TYR 49 5.209 -17.002 -3.220 335 HD1 TYR 49 HD1 TYR 49 4.922 -14.028 -1.016 336 HD2 TYR 49 HD2 TYR 49 3.652 -18.017 -1.779 337 HE1 TYR 49 HE1 TYR 49 3.181 -13.797 0.707 338 HE2 TYR 49 HE2 TYR 49 1.907 -17.796 -0.060 339 HH TYR 49 HH TYR 49 1.394 -14.738 1.656 340 H SER 50 H SER 50 6.506 -18.418 -3.525 341 HA SER 50 HA SER 50 9.192 -18.357 -4.675 342 HB2 SER 50 HB2 SER 50 7.148 -20.422 -4.229 343 HB3 SER 50 HB3 SER 50 7.957 -20.536 -5.792 344 HG SER 50 HG SER 50 9.953 -20.527 -4.661 345 H GLN 51 H GLN 51 6.107 -19.299 -6.153 346 HA GLN 51 HA GLN 51 6.686 -17.433 -8.356 347 HB2 GLN 51 HB2 GLN 51 5.951 -20.313 -8.393 348 HB3 GLN 51 HB3 GLN 51 5.246 -19.288 -9.637 349 HG2 GLN 51 HG2 GLN 51 7.482 -18.581 -10.322 350 HG3 GLN 51 HG3 GLN 51 8.186 -19.614 -9.079 351 HE21 GLN 51 HE21 GLN 51 6.837 -21.903 -9.259 352 HE22 GLN 51 HE22 GLN 51 7.026 -22.621 -10.820 353 H HIS 52 H HIS 52 4.018 -19.428 -7.075 354 HA HIS 52 HA HIS 52 2.030 -17.592 -8.018 355 HB2 HIS 52 HB2 HIS 52 1.726 -19.875 -6.057 356 HB3 HIS 52 HB3 HIS 52 0.427 -19.066 -6.930 357 HD1 HIS 52 HD1 HIS 52 0.563 -19.363 -9.635 358 HD2 HIS 52 HD2 HIS 52 2.745 -22.046 -7.333 359 HE1 HIS 52 HE1 HIS 52 1.067 -21.300 -11.157 360 H CYS 53 H CYS 53 0.441 -16.546 -6.609 361 HA CYS 53 HA CYS 53 1.710 -15.541 -4.147 362 HB2 CYS 53 HB2 CYS 53 0.030 -14.237 -6.244 363 HB3 CYS 53 HB3 CYS 53 -0.082 -13.640 -4.591 364 HA PRO 54 HA PRO 54 -1.588 -17.006 -1.654 365 HB2 PRO 54 HB2 PRO 54 -1.931 -14.976 0.114 366 HB3 PRO 54 HB3 PRO 54 -0.527 -16.051 0.145 367 HG2 PRO 54 HG2 PRO 54 -0.781 -13.297 -1.003 368 HG3 PRO 54 HG3 PRO 54 0.540 -13.993 -0.046 369 HD2 PRO 54 HD2 PRO 54 0.660 -13.757 -2.741 370 HD3 PRO 54 HD3 PRO 54 1.449 -15.082 -1.864 371 H CYS 55 H CYS 55 -3.800 -16.534 -0.859 372 HA CYS 55 HA CYS 55 -5.397 -15.427 -2.937 373 HB2 CYS 55 HB2 CYS 55 -6.098 -16.401 -0.163 374 HB3 CYS 55 HB3 CYS 55 -7.293 -15.892 -1.351 375 H GLY 56 H GLY 56 -6.028 -13.396 -3.230 376 HA2 GLY 56 HA2 GLY 56 -6.435 -11.646 -0.932 377 HA3 GLY 56 HA3 GLY 56 -5.197 -11.154 -2.078 378 H GLU 57 H GLU 57 -7.909 -12.850 -3.338 379 HA GLU 57 HA GLU 57 -9.109 -10.311 -4.229 380 HB2 GLU 57 HB2 GLU 57 -9.470 -11.207 -6.424 381 HB3 GLU 57 HB3 GLU 57 -7.770 -11.416 -6.026 382 HG2 GLU 57 HG2 GLU 57 -8.098 -13.743 -5.566 383 HG3 GLU 57 HG3 GLU 57 -9.844 -13.576 -5.749 384 H GLY 58 H GLY 58 -9.817 -12.134 -2.024 385 HA2 GLY 58 HA2 GLY 58 -11.983 -12.472 -1.144 386 HA3 GLY 58 HA3 GLY 58 -12.618 -12.507 -2.783 387 H LEU 59 H LEU 59 -9.799 -14.372 -2.066 388 HA LEU 59 HA LEU 59 -11.422 -16.818 -2.261 389 HB2 LEU 59 HB2 LEU 59 -8.487 -16.468 -2.848 390 HB3 LEU 59 HB3 LEU 59 -9.452 -17.916 -3.130 391 HG LEU 59 HG LEU 59 -10.168 -15.365 -4.514 392 HD11 LEU 59 HD11 LEU 59 -8.692 -15.944 -6.357 393 HD12 LEU 59 HD12 LEU 59 -8.042 -17.296 -5.431 394 HD13 LEU 59 HD13 LEU 59 -7.768 -15.641 -4.886 395 HD21 LEU 59 HD21 LEU 59 -11.045 -16.866 -6.178 396 HD22 LEU 59 HD22 LEU 59 -11.653 -17.346 -4.594 397 HD23 LEU 59 HD23 LEU 59 -10.344 -18.256 -5.350 398 H SER 60 H SER 60 -10.251 -18.766 -1.218 399 HA SER 60 HA SER 60 -8.880 -18.057 1.259 400 HB2 SER 60 HB2 SER 60 -11.514 -18.253 1.471 401 HB3 SER 60 HB3 SER 60 -11.156 -19.978 1.500 402 HG SER 60 HG SER 60 -10.604 -19.719 3.499 403 H CYS 61 H CYS 61 -7.151 -19.309 1.381 404 HA CYS 61 HA CYS 61 -6.607 -21.488 -0.253 405 HB2 CYS 61 HB2 CYS 61 -5.390 -20.254 2.117 406 HB3 CYS 61 HB3 CYS 61 -5.037 -21.971 1.947 407 H THR 62 H THR 62 -7.966 -23.183 -0.340 408 HA THR 62 HA THR 62 -8.581 -24.566 2.191 409 HB THR 62 HB THR 62 -10.582 -23.613 1.044 410 HG1 THR 62 HG1 THR 62 -10.490 -26.464 1.093 411 HG21 THR 62 HG21 THR 62 -11.378 -24.628 -1.015 412 HG22 THR 62 HG22 THR 62 -9.949 -25.660 -1.085 413 HG23 THR 62 HG23 THR 62 -9.786 -23.914 -1.272 414 H LYS 63 H LYS 63 -8.450 -26.817 2.238 415 HA LYS 63 HA LYS 63 -6.625 -27.946 0.276 416 HB2 LYS 63 HB2 LYS 63 -6.612 -28.198 2.913 417 HB3 LYS 63 HB3 LYS 63 -7.703 -29.532 2.563 418 HG2 LYS 63 HG2 LYS 63 -6.064 -30.665 1.293 419 HG3 LYS 63 HG3 LYS 63 -5.010 -29.249 1.262 420 HD2 LYS 63 HD2 LYS 63 -3.998 -30.475 2.914 421 HD3 LYS 63 HD3 LYS 63 -5.127 -29.522 3.881 422 HE2 LYS 63 HE2 LYS 63 -6.730 -31.552 3.420 423 HE3 LYS 63 HE3 LYS 63 -5.215 -32.411 3.142 424 HZ1 LYS 63 HZ1 LYS 63 -5.069 -32.649 5.326 425 HZ2 LYS 63 HZ2 LYS 63 -6.409 -31.654 5.595 426 HZ3 LYS 63 HZ3 LYS 63 -4.864 -30.977 5.475 427 H VAL 64 H VAL 64 -7.246 -29.184 -1.364 428 HA VAL 64 HA VAL 64 -9.866 -30.525 -1.203 429 HB VAL 64 HB VAL 64 -10.236 -30.126 -3.560 430 HG11 VAL 64 HG11 VAL 64 -11.139 -28.127 -3.159 431 HG12 VAL 64 HG12 VAL 64 -10.350 -28.202 -1.582 432 HG13 VAL 64 HG13 VAL 64 -9.563 -27.373 -2.925 433 HG21 VAL 64 HG21 VAL 64 -7.601 -28.658 -3.511 434 HG22 VAL 64 HG22 VAL 64 -7.934 -30.180 -4.336 435 HG23 VAL 64 HG23 VAL 64 -8.723 -28.697 -4.871 436 H GLY 65 H GLY 65 -6.826 -31.228 -0.952 437 HA2 GLY 65 HA2 GLY 65 -7.116 -33.835 -2.168 438 HA3 GLY 65 HA3 GLY 65 -5.862 -32.842 -2.894 439 H GLU 66 H GLU 66 -4.424 -34.572 -2.189 440 HA GLU 66 HA GLU 66 -3.335 -33.970 0.432 441 HB2 GLU 66 HB2 GLU 66 -3.154 -36.587 0.746 442 HB3 GLU 66 HB3 GLU 66 -4.577 -35.703 1.279 443 HG2 GLU 66 HG2 GLU 66 -5.773 -36.341 -0.716 444 HG3 GLU 66 HG3 GLU 66 -4.335 -37.133 -1.357 445 HA PRO 67 HA PRO 67 -1.868 -35.486 1.723 446 HB2 PRO 67 HB2 PRO 67 0.541 -34.542 2.545 447 HB3 PRO 67 HB3 PRO 67 0.281 -36.223 2.064 448 HG2 PRO 67 HG2 PRO 67 1.447 -33.961 0.488 449 HG3 PRO 67 HG3 PRO 67 1.994 -35.643 0.602 450 HD2 PRO 67 HD2 PRO 67 0.551 -34.719 -1.494 451 HD3 PRO 67 HD3 PRO 67 0.419 -36.390 -0.907 452 H ASN 68 H ASN 68 -0.067 -32.749 0.305 453 HA ASN 68 HA ASN 68 -1.811 -30.933 1.836 454 HB2 ASN 68 HB2 ASN 68 0.687 -31.125 2.530 455 HB3 ASN 68 HB3 ASN 68 0.998 -30.192 1.069 456 HD21 ASN 68 HD21 ASN 68 1.144 -28.104 1.382 457 HD22 ASN 68 HD22 ASN 68 0.344 -27.194 2.612 458 H LYS 69 H LYS 69 -3.096 -31.144 -0.195 459 HA LYS 69 HA LYS 69 -2.014 -29.583 -2.426 460 HB2 LYS 69 HB2 LYS 69 -2.983 -31.743 -3.010 461 HB3 LYS 69 HB3 LYS 69 -4.496 -31.299 -2.232 462 HG2 LYS 69 HG2 LYS 69 -5.226 -30.287 -4.063 463 HG3 LYS 69 HG3 LYS 69 -3.742 -29.341 -4.208 464 HD2 LYS 69 HD2 LYS 69 -3.485 -30.534 -6.108 465 HD3 LYS 69 HD3 LYS 69 -2.851 -31.759 -5.007 466 HE2 LYS 69 HE2 LYS 69 -4.385 -32.995 -6.181 467 HE3 LYS 69 HE3 LYS 69 -5.375 -32.452 -4.828 468 HZ1 LYS 69 HZ1 LYS 69 -6.343 -32.219 -7.145 469 HZ2 LYS 69 HZ2 LYS 69 -5.254 -30.945 -7.370 470 HZ3 LYS 69 HZ3 LYS 69 -6.421 -30.854 -6.148 471 H LEU 70 H LEU 70 -2.193 -27.594 -1.172 472 HA LEU 70 HA LEU 70 -4.849 -26.645 -0.520 473 HB2 LEU 70 HB2 LEU 70 -2.332 -26.106 0.438 474 HB3 LEU 70 HB3 LEU 70 -2.693 -24.677 -0.527 475 HG LEU 70 HG LEU 70 -4.727 -24.308 0.794 476 HD11 LEU 70 HD11 LEU 70 -5.618 -25.882 2.074 477 HD12 LEU 70 HD12 LEU 70 -4.130 -26.023 3.009 478 HD13 LEU 70 HD13 LEU 70 -4.348 -26.985 1.546 479 HD21 LEU 70 HD21 LEU 70 -3.073 -23.023 1.690 480 HD22 LEU 70 HD22 LEU 70 -2.026 -24.403 2.025 481 HD23 LEU 70 HD23 LEU 70 -3.401 -24.063 3.076 482 H ARG 71 H ARG 71 -5.995 -25.073 -1.580 483 HA ARG 71 HA ARG 71 -4.850 -23.764 -3.908 484 HB2 ARG 71 HB2 ARG 71 -7.232 -25.614 -4.094 485 HB3 ARG 71 HB3 ARG 71 -6.760 -24.480 -5.353 486 HG2 ARG 71 HG2 ARG 71 -4.453 -25.734 -5.141 487 HG3 ARG 71 HG3 ARG 71 -5.480 -27.021 -4.503 488 HD2 ARG 71 HD2 ARG 71 -5.730 -25.659 -7.181 489 HD3 ARG 71 HD3 ARG 71 -5.202 -27.314 -6.882 490 HE ARG 71 HE ARG 71 -7.790 -26.882 -5.816 491 HH11 ARG 71 HH11 ARG 71 -6.098 -27.351 -8.822 492 HH12 ARG 71 HH12 ARG 71 -7.463 -28.043 -9.633 493 HH21 ARG 71 HH21 ARG 71 -9.595 -27.790 -6.874 494 HH22 ARG 71 HH22 ARG 71 -9.453 -28.291 -8.525 495 H CYS 72 H CYS 72 -6.286 -22.095 -4.794 496 HA CYS 72 HA CYS 72 -7.581 -20.658 -2.677 497 HB2 CYS 72 HB2 CYS 72 -6.797 -20.122 -5.481 498 HB3 CYS 72 HB3 CYS 72 -8.184 -19.213 -4.884 499 H GLN 73 H GLN 73 -9.731 -20.257 -2.376 500 HA GLN 73 HA GLN 73 -11.674 -21.245 -4.299 501 HB2 GLN 73 HB2 GLN 73 -11.124 -23.158 -2.764 502 HB3 GLN 73 HB3 GLN 73 -11.746 -22.191 -1.432 503 HG2 GLN 73 HG2 GLN 73 -13.324 -23.891 -2.405 504 HG3 GLN 73 HG3 GLN 73 -13.938 -22.244 -2.277 505 HE21 GLN 73 HE21 GLN 73 -11.784 -23.702 -4.670 506 HE22 GLN 73 HE22 GLN 73 -12.801 -23.395 -6.032 507 H GLU 74 H GLU 74 -13.318 -19.868 -4.455 508 HA GLU 74 HA GLU 74 -13.468 -17.465 -3.107 509 HB2 GLU 74 HB2 GLU 74 -15.853 -17.385 -3.912 510 HB3 GLU 74 HB3 GLU 74 -14.654 -17.711 -5.155 511 HG2 GLU 74 HG2 GLU 74 -15.760 -19.528 -5.737 512 HG3 GLU 74 HG3 GLU 74 -15.489 -20.203 -4.132 513 H GLU 75 H GLU 75 -13.925 -16.972 -1.075 514 HA GLU 75 HA GLU 75 -14.852 -18.852 0.811 515 HB2 GLU 75 HB2 GLU 75 -13.499 -16.629 1.116 516 HB3 GLU 75 HB3 GLU 75 -15.091 -15.902 1.274 517 HG2 GLU 75 HG2 GLU 75 -15.445 -17.838 3.012 518 HG3 GLU 75 HG3 GLU 75 -13.684 -17.799 3.076 519 H SER 76 H SER 76 -16.817 -18.949 1.958 520 HA SER 76 HA SER 76 -19.108 -17.798 0.505 521 HB2 SER 76 HB2 SER 76 -20.332 -19.748 0.843 522 HB3 SER 76 HB3 SER 76 -18.707 -20.384 0.591 523 HG SER 76 HG SER 76 -18.910 -21.255 2.481
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