NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575303 | 2ru1 | 11540 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 3.014 -0.503 -1.093 3 HA3 GLY 1 HA3 GLY 1 1.504 -0.539 -1.991 4 HA PRO 2 HA PRO 2 3.838 3.399 -2.943 5 HB2 PRO 2 HB2 PRO 2 3.861 3.052 -5.635 6 HB3 PRO 2 HB3 PRO 2 5.121 2.412 -4.574 7 HG2 PRO 2 HG2 PRO 2 2.760 1.013 -5.769 8 HG3 PRO 2 HG3 PRO 2 4.435 0.450 -5.617 9 HD2 PRO 2 HD2 PRO 2 2.473 -0.339 -3.925 10 HD3 PRO 2 HD3 PRO 2 4.162 -0.158 -3.410 11 H GLU 3 H GLU 3 3.111 4.848 -5.050 12 HA GLU 3 HA GLU 3 0.261 5.294 -4.590 13 HB2 GLU 3 HB2 GLU 3 2.528 6.985 -5.028 14 HB3 GLU 3 HB3 GLU 3 1.349 7.282 -6.298 15 HG2 GLU 3 HG2 GLU 3 0.567 8.749 -4.774 16 HG3 GLU 3 HG3 GLU 3 -0.301 7.320 -4.217 17 H LYS 4 H LYS 4 1.429 3.168 -6.370 18 HA LYS 4 HA LYS 4 0.964 2.180 -8.365 19 HB2 LYS 4 HB2 LYS 4 -1.377 3.789 -7.708 20 HB3 LYS 4 HB3 LYS 4 -1.195 3.550 -9.440 21 HG2 LYS 4 HG2 LYS 4 -1.329 1.213 -9.241 22 HG3 LYS 4 HG3 LYS 4 -1.079 1.268 -7.495 23 HD2 LYS 4 HD2 LYS 4 -3.267 2.629 -7.444 24 HD3 LYS 4 HD3 LYS 4 -3.520 2.006 -9.076 25 HE2 LYS 4 HE2 LYS 4 -4.482 0.261 -8.053 26 HE3 LYS 4 HE3 LYS 4 -2.832 -0.253 -7.704 27 HZ1 LYS 4 HZ1 LYS 4 -4.523 1.403 -5.909 28 HZ2 LYS 4 HZ2 LYS 4 -2.961 0.848 -5.572 29 HZ3 LYS 4 HZ3 LYS 4 -4.236 -0.254 -5.723 30 H MET 5 H MET 5 2.862 2.890 -9.383 31 HA MET 5 HA MET 5 2.587 5.261 -11.101 32 HB2 MET 5 HB2 MET 5 5.012 3.815 -10.041 33 HB3 MET 5 HB3 MET 5 5.111 5.017 -11.321 34 HG2 MET 5 HG2 MET 5 5.197 6.619 -9.808 35 HG3 MET 5 HG3 MET 5 3.605 6.148 -9.217 36 HE1 MET 5 HE1 MET 5 4.697 6.797 -6.172 37 HE2 MET 5 HE2 MET 5 6.418 6.919 -6.540 38 HE3 MET 5 HE3 MET 5 5.228 7.621 -7.638 39 H GLU 6 H GLU 6 1.361 2.743 -11.753 40 HA GLU 6 HA GLU 6 2.727 2.246 -14.297 41 HB2 GLU 6 HB2 GLU 6 1.559 -0.001 -12.661 42 HB3 GLU 6 HB3 GLU 6 2.534 -0.122 -14.119 43 HG2 GLU 6 HG2 GLU 6 4.455 0.790 -12.884 44 HG3 GLU 6 HG3 GLU 6 3.471 0.829 -11.422 45 H VAL 7 H VAL 7 0.870 3.848 -14.673 46 HA VAL 7 HA VAL 7 -1.813 3.094 -14.554 47 HB VAL 7 HB VAL 7 -2.221 4.778 -16.298 48 HG11 VAL 7 HG11 VAL 7 -1.192 6.712 -15.111 49 HG12 VAL 7 HG12 VAL 7 -2.008 5.568 -14.044 50 HG13 VAL 7 HG13 VAL 7 -0.248 5.567 -14.160 51 HG21 VAL 7 HG21 VAL 7 0.451 4.158 -17.030 52 HG22 VAL 7 HG22 VAL 7 -0.693 5.223 -17.847 53 HG23 VAL 7 HG23 VAL 7 0.382 5.869 -16.607 54 H LYS 8 H LYS 8 -3.168 2.892 -16.667 55 HA LYS 8 HA LYS 8 -1.896 1.103 -18.600 56 HB2 LYS 8 HB2 LYS 8 -3.313 0.040 -16.524 57 HB3 LYS 8 HB3 LYS 8 -4.571 0.219 -17.740 58 HG2 LYS 8 HG2 LYS 8 -2.153 -0.939 -18.840 59 HG3 LYS 8 HG3 LYS 8 -2.800 -1.884 -17.497 60 HD2 LYS 8 HD2 LYS 8 -5.035 -1.793 -18.632 61 HD3 LYS 8 HD3 LYS 8 -4.229 -1.063 -20.022 62 HE2 LYS 8 HE2 LYS 8 -2.826 -3.426 -19.174 63 HE3 LYS 8 HE3 LYS 8 -4.528 -3.792 -19.449 64 HZ1 LYS 8 HZ1 LYS 8 -2.983 -3.986 -21.423 65 HZ2 LYS 8 HZ2 LYS 8 -2.908 -2.296 -21.421 66 HZ3 LYS 8 HZ3 LYS 8 -4.390 -3.076 -21.659 67 H GLU 9 H GLU 9 -4.942 2.689 -17.665 68 HA GLU 9 HA GLU 9 -6.501 3.824 -18.872 69 HB2 GLU 9 HB2 GLU 9 -4.458 4.143 -21.058 70 HB3 GLU 9 HB3 GLU 9 -5.761 5.235 -20.611 71 HG2 GLU 9 HG2 GLU 9 -3.330 4.659 -18.934 72 HG3 GLU 9 HG3 GLU 9 -3.552 6.075 -19.959 73 H ILE 10 H ILE 10 -7.143 3.997 -21.509 74 HA ILE 10 HA ILE 10 -7.835 1.219 -22.125 75 HB ILE 10 HB ILE 10 -8.979 3.715 -23.374 76 HG12 ILE 10 HG12 ILE 10 -10.813 2.431 -21.603 77 HG13 ILE 10 HG13 ILE 10 -9.319 2.731 -20.722 78 HG21 ILE 10 HG21 ILE 10 -10.909 2.021 -23.725 79 HG22 ILE 10 HG22 ILE 10 -9.505 1.961 -24.789 80 HG23 ILE 10 HG23 ILE 10 -9.659 0.805 -23.467 81 HD11 ILE 10 HD11 ILE 10 -10.918 4.562 -20.491 82 HD12 ILE 10 HD12 ILE 10 -9.434 5.082 -21.290 83 HD13 ILE 10 HD13 ILE 10 -10.893 4.798 -22.239 84 H GLY 11 H GLY 11 -5.382 1.269 -22.792 85 HA2 GLY 11 HA2 GLY 11 -4.988 2.328 -25.481 86 HA3 GLY 11 HA3 GLY 11 -3.766 1.568 -24.471 87 H ARG 12 H ARG 12 -6.410 1.017 -26.694 88 HA ARG 12 HA ARG 12 -5.452 -1.748 -27.038 89 HB2 ARG 12 HB2 ARG 12 -8.255 -0.675 -26.951 90 HB3 ARG 12 HB3 ARG 12 -7.891 -2.150 -27.837 91 HG2 ARG 12 HG2 ARG 12 -6.680 -2.537 -25.382 92 HG3 ARG 12 HG3 ARG 12 -8.195 -1.721 -24.992 93 HD2 ARG 12 HD2 ARG 12 -8.117 -4.053 -26.876 94 HD3 ARG 12 HD3 ARG 12 -8.186 -4.290 -25.130 95 HE ARG 12 HE ARG 12 -10.327 -3.499 -26.836 96 HH11 ARG 12 HH11 ARG 12 -9.030 -3.137 -23.625 97 HH12 ARG 12 HH12 ARG 12 -10.566 -2.793 -22.902 98 HH21 ARG 12 HH21 ARG 12 -12.356 -3.048 -25.895 99 HH22 ARG 12 HH22 ARG 12 -12.458 -2.744 -24.194 100 H SER 13 H SER 13 -4.104 -0.214 -28.552 101 HA SER 13 HA SER 13 -5.009 -0.750 -31.215 102 HB2 SER 13 HB2 SER 13 -6.137 1.465 -30.492 103 HB3 SER 13 HB3 SER 13 -4.524 2.164 -30.636 104 HG SER 13 HG SER 13 -5.262 2.408 -32.632 105 H SER 14 H SER 14 -3.385 0.457 -32.808 106 HA SER 14 HA SER 14 -0.711 -0.133 -31.752 107 HB2 SER 14 HB2 SER 14 -1.922 -0.223 -34.494 108 HB3 SER 14 HB3 SER 14 -0.176 -0.051 -34.316 109 HG SER 14 HG SER 14 -0.999 -2.260 -34.462 110 H LYS 15 H LYS 15 -1.970 2.352 -31.139 111 HA LYS 15 HA LYS 15 -1.076 4.428 -32.853 112 HB2 LYS 15 HB2 LYS 15 -1.801 5.927 -31.184 113 HB3 LYS 15 HB3 LYS 15 -2.892 4.552 -31.065 114 HG2 LYS 15 HG2 LYS 15 -0.461 4.764 -29.328 115 HG3 LYS 15 HG3 LYS 15 -1.975 5.564 -28.902 116 HD2 LYS 15 HD2 LYS 15 -2.513 3.627 -27.914 117 HD3 LYS 15 HD3 LYS 15 -2.802 3.030 -29.549 118 HE2 LYS 15 HE2 LYS 15 -0.905 1.789 -29.575 119 HE3 LYS 15 HE3 LYS 15 -0.010 2.940 -28.584 120 HZ1 LYS 15 HZ1 LYS 15 -1.239 2.145 -26.646 121 HZ2 LYS 15 HZ2 LYS 15 -0.373 0.893 -27.384 122 HZ3 LYS 15 HZ3 LYS 15 -2.046 1.011 -27.608 123 H ILE 16 H ILE 16 0.712 5.761 -32.728 124 HA ILE 16 HA ILE 16 2.654 5.597 -30.659 125 HB ILE 16 HB ILE 16 4.407 4.814 -32.562 126 HG12 ILE 16 HG12 ILE 16 2.008 3.020 -32.957 127 HG13 ILE 16 HG13 ILE 16 2.457 4.296 -34.083 128 HG21 ILE 16 HG21 ILE 16 4.793 3.001 -31.214 129 HG22 ILE 16 HG22 ILE 16 3.837 4.009 -30.129 130 HG23 ILE 16 HG23 ILE 16 3.076 2.668 -30.985 131 HD11 ILE 16 HD11 ILE 16 3.394 1.636 -33.968 132 HD12 ILE 16 HD12 ILE 16 3.850 2.915 -35.093 133 HD13 ILE 16 HD13 ILE 16 4.749 2.700 -33.592 134 H ILE 17 H ILE 17 4.700 6.797 -31.300 135 HA ILE 17 HA ILE 17 4.000 8.959 -33.177 136 HB ILE 17 HB ILE 17 5.436 10.442 -31.842 137 HG12 ILE 17 HG12 ILE 17 6.711 8.327 -30.916 138 HG13 ILE 17 HG13 ILE 17 6.586 9.793 -29.949 139 HG21 ILE 17 HG21 ILE 17 3.092 9.073 -30.601 140 HG22 ILE 17 HG22 ILE 17 3.959 10.313 -29.697 141 HG23 ILE 17 HG23 ILE 17 3.224 10.707 -31.251 142 HD11 ILE 17 HD11 ILE 17 6.068 7.411 -28.951 143 HD12 ILE 17 HD12 ILE 17 5.170 8.843 -28.448 144 HD13 ILE 17 HD13 ILE 17 4.475 7.737 -29.632 145 H LEU 18 H LEU 18 5.903 10.084 -34.135 146 HA LEU 18 HA LEU 18 8.159 8.244 -34.571 147 HB2 LEU 18 HB2 LEU 18 6.715 8.124 -36.500 148 HB3 LEU 18 HB3 LEU 18 6.689 9.882 -36.630 149 HG LEU 18 HG LEU 18 8.173 8.456 -38.235 150 HD11 LEU 18 HD11 LEU 18 9.765 10.663 -37.116 151 HD12 LEU 18 HD12 LEU 18 8.104 11.064 -37.552 152 HD13 LEU 18 HD13 LEU 18 9.194 10.389 -38.763 153 HD21 LEU 18 HD21 LEU 18 10.201 7.714 -37.499 154 HD22 LEU 18 HD22 LEU 18 9.246 7.449 -36.040 155 HD23 LEU 18 HD23 LEU 18 10.273 8.877 -36.175 156 HA PRO 19 HA PRO 19 10.191 12.012 -33.182 157 HB2 PRO 19 HB2 PRO 19 12.605 10.832 -32.793 158 HB3 PRO 19 HB3 PRO 19 11.278 10.711 -31.631 159 HG2 PRO 19 HG2 PRO 19 12.162 8.744 -33.707 160 HG3 PRO 19 HG3 PRO 19 11.677 8.455 -32.027 161 HD2 PRO 19 HD2 PRO 19 10.012 8.026 -34.118 162 HD3 PRO 19 HD3 PRO 19 9.429 8.554 -32.526 163 H ALA 20 H ALA 20 11.603 13.445 -34.148 164 HA ALA 20 HA ALA 20 13.491 12.853 -36.119 165 HB1 ALA 20 HB1 ALA 20 11.920 12.224 -37.689 166 HB2 ALA 20 HB2 ALA 20 10.735 13.407 -37.133 167 HB3 ALA 20 HB3 ALA 20 12.140 13.935 -38.059 168 H CYS 21 H CYS 21 11.020 15.401 -36.254 169 HA CYS 21 HA CYS 21 13.016 17.327 -35.287 170 HB2 CYS 21 HB2 CYS 21 12.138 18.944 -37.018 171 HB3 CYS 21 HB3 CYS 21 13.086 17.604 -37.656 172 H MET 22 H MET 22 9.620 16.600 -35.910 173 HA MET 22 HA MET 22 8.903 18.493 -33.768 174 HB2 MET 22 HB2 MET 22 8.120 18.717 -36.369 175 HB3 MET 22 HB3 MET 22 6.791 17.784 -35.695 176 HG2 MET 22 HG2 MET 22 5.979 19.842 -35.275 177 HG3 MET 22 HG3 MET 22 6.955 19.662 -33.819 178 HE1 MET 22 HE1 MET 22 6.631 23.007 -34.455 179 HE2 MET 22 HE2 MET 22 6.781 23.115 -36.208 180 HE3 MET 22 HE3 MET 22 5.664 21.954 -35.489 181 H HIS 23 H HIS 23 6.276 17.795 -33.416 182 HA HIS 23 HA HIS 23 6.532 15.065 -32.355 183 HB2 HIS 23 HB2 HIS 23 5.226 17.536 -31.382 184 HB3 HIS 23 HB3 HIS 23 4.344 16.038 -31.094 185 HD1 HIS 23 HD1 HIS 23 5.612 14.210 -29.637 186 HD2 HIS 23 HD2 HIS 23 7.360 17.978 -29.713 187 HE1 HIS 23 HE1 HIS 23 7.233 14.238 -27.715 188 H GLU 24 H GLU 24 5.644 13.609 -33.668 189 HA GLU 24 HA GLU 24 3.011 14.224 -34.839 190 HB2 GLU 24 HB2 GLU 24 3.679 12.621 -36.683 191 HB3 GLU 24 HB3 GLU 24 4.517 14.166 -36.667 192 HG2 GLU 24 HG2 GLU 24 5.925 12.178 -35.113 193 HG3 GLU 24 HG3 GLU 24 5.664 11.648 -36.774 194 H THR 25 H THR 25 1.731 12.240 -35.361 195 HA THR 25 HA THR 25 2.349 9.852 -33.852 196 HB THR 25 HB THR 25 -0.249 11.191 -33.160 197 HG1 THR 25 HG1 THR 25 0.725 12.191 -31.445 198 HG21 THR 25 HG21 THR 25 1.459 9.054 -31.891 199 HG22 THR 25 HG22 THR 25 -0.146 8.872 -32.600 200 HG23 THR 25 HG23 THR 25 0.059 9.780 -31.102 201 H CYS 26 H CYS 26 0.726 8.144 -34.183 202 HA CYS 26 HA CYS 26 -1.237 8.527 -36.264 203 HB2 CYS 26 HB2 CYS 26 1.149 8.092 -37.294 204 HB3 CYS 26 HB3 CYS 26 0.804 6.422 -36.857 205 H SER 27 H SER 27 -2.765 6.889 -36.345 206 HA SER 27 HA SER 27 -2.420 4.403 -34.973 207 HB2 SER 27 HB2 SER 27 -2.781 6.004 -33.073 208 HB3 SER 27 HB3 SER 27 -4.371 6.363 -33.745 209 HG SER 27 HG SER 27 -4.591 4.763 -32.198 210 H GLY 28 H GLY 28 -3.452 3.053 -36.279 211 HA2 GLY 28 HA2 GLY 28 -6.126 3.822 -37.253 212 HA3 GLY 28 HA3 GLY 28 -4.931 3.164 -38.361 213 H GLY 29 H GLY 29 -7.592 2.389 -36.632 214 HA2 GLY 29 HA2 GLY 29 -7.846 -0.207 -37.187 215 HA3 GLY 29 HA3 GLY 29 -6.749 -0.275 -35.815 216 H PHE 30 H PHE 30 -7.943 2.030 -34.486 217 HA PHE 30 HA PHE 30 -10.705 1.408 -34.010 218 HB2 PHE 30 HB2 PHE 30 -9.569 -0.390 -32.734 219 HB3 PHE 30 HB3 PHE 30 -8.712 0.838 -31.808 220 HD1 PHE 30 HD1 PHE 30 -12.194 -0.118 -32.736 221 HD2 PHE 30 HD2 PHE 30 -9.578 1.471 -29.778 222 HE1 PHE 30 HE1 PHE 30 -14.062 -0.030 -31.136 223 HE2 PHE 30 HE2 PHE 30 -11.441 1.561 -28.174 224 HZ PHE 30 HZ PHE 30 -13.687 0.810 -28.852 225 H SER 31 H SER 31 -7.777 3.031 -32.885 226 HA SER 31 HA SER 31 -9.233 5.084 -31.491 227 HB2 SER 31 HB2 SER 31 -6.502 4.212 -31.676 228 HB3 SER 31 HB3 SER 31 -6.581 5.948 -31.978 229 HG SER 31 HG SER 31 -6.559 5.938 -29.846 230 H LEU 32 H LEU 32 -7.521 4.801 -34.570 231 HA LEU 32 HA LEU 32 -7.409 6.159 -36.396 232 HB2 LEU 32 HB2 LEU 32 -9.730 5.538 -36.566 233 HB3 LEU 32 HB3 LEU 32 -10.188 6.799 -35.423 234 HG LEU 32 HG LEU 32 -9.661 8.515 -37.030 235 HD11 LEU 32 HD11 LEU 32 -8.772 6.262 -38.824 236 HD12 LEU 32 HD12 LEU 32 -7.742 7.494 -38.097 237 HD13 LEU 32 HD13 LEU 32 -8.940 7.949 -39.308 238 HD21 LEU 32 HD21 LEU 32 -11.311 7.978 -38.776 239 HD22 LEU 32 HD22 LEU 32 -11.885 7.564 -37.160 240 HD23 LEU 32 HD23 LEU 32 -11.307 6.296 -38.243 241 H LYS 33 H LYS 33 -5.749 7.482 -35.499 242 HA LYS 33 HA LYS 33 -6.441 10.256 -35.443 243 HB2 LYS 33 HB2 LYS 33 -5.613 10.759 -33.200 244 HB3 LYS 33 HB3 LYS 33 -6.993 9.672 -33.125 245 HG2 LYS 33 HG2 LYS 33 -5.792 7.991 -32.239 246 HG3 LYS 33 HG3 LYS 33 -4.360 8.364 -33.201 247 HD2 LYS 33 HD2 LYS 33 -3.908 8.748 -30.849 248 HD3 LYS 33 HD3 LYS 33 -3.894 10.280 -31.725 249 HE2 LYS 33 HE2 LYS 33 -5.974 10.923 -30.855 250 HE3 LYS 33 HE3 LYS 33 -6.362 9.282 -30.339 251 HZ1 LYS 33 HZ1 LYS 33 -4.940 9.427 -28.534 252 HZ2 LYS 33 HZ2 LYS 33 -5.630 10.970 -28.581 253 HZ3 LYS 33 HZ3 LYS 33 -4.066 10.725 -29.176 254 H ASN 34 H ASN 34 -4.492 11.642 -35.183 255 HA ASN 34 HA ASN 34 -1.889 10.515 -35.253 256 HB2 ASN 34 HB2 ASN 34 -1.418 11.259 -37.656 257 HB3 ASN 34 HB3 ASN 34 -2.331 9.768 -37.450 258 HD21 ASN 34 HD21 ASN 34 -3.912 9.589 -38.846 259 HD22 ASN 34 HD22 ASN 34 -4.886 10.876 -39.462 260 H ASP 35 H ASP 35 -0.327 12.058 -34.986 261 HA ASP 35 HA ASP 35 -1.299 14.806 -34.686 262 HB2 ASP 35 HB2 ASP 35 -0.029 13.431 -32.852 263 HB3 ASP 35 HB3 ASP 35 1.404 13.892 -33.767 264 H CYS 36 H CYS 36 -0.604 16.436 -35.932 265 HA CYS 36 HA CYS 36 0.545 16.087 -38.392 266 HB2 CYS 36 HB2 CYS 36 -0.031 18.349 -36.654 267 HB3 CYS 36 HB3 CYS 36 1.391 18.634 -37.652 268 H TRP 37 H TRP 37 2.658 16.897 -39.206 269 HA TRP 37 HA TRP 37 4.819 16.134 -37.355 270 HB2 TRP 37 HB2 TRP 37 6.102 15.459 -39.347 271 HB3 TRP 37 HB3 TRP 37 4.584 14.575 -39.222 272 HD1 TRP 37 HD1 TRP 37 2.555 15.495 -40.897 273 HE1 TRP 37 HE1 TRP 37 2.744 16.420 -43.291 274 HE3 TRP 37 HE3 TRP 37 7.524 16.700 -40.913 275 HZ2 TRP 37 HZ2 TRP 37 4.735 17.514 -44.966 276 HZ3 TRP 37 HZ3 TRP 37 8.493 17.681 -42.951 277 HH2 TRP 37 HH2 TRP 37 7.126 18.078 -44.934 278 H CYS 38 H CYS 38 6.991 17.004 -38.780 279 HA CYS 38 HA CYS 38 7.369 19.587 -37.995 280 HB2 CYS 38 HB2 CYS 38 8.579 18.336 -40.470 281 HB3 CYS 38 HB3 CYS 38 9.235 19.696 -39.566 282 H CYS 39 H CYS 39 6.839 21.575 -38.683 283 HA CYS 39 HA CYS 39 4.834 21.875 -40.687 284 HB2 CYS 39 HB2 CYS 39 5.791 23.393 -38.531 285 HB3 CYS 39 HB3 CYS 39 6.110 24.368 -39.962 286 H LEU 40 H LEU 40 5.444 24.198 -42.002 287 HA LEU 40 HA LEU 40 6.765 23.371 -44.267 288 HB2 LEU 40 HB2 LEU 40 5.720 25.834 -43.234 289 HB3 LEU 40 HB3 LEU 40 7.240 26.136 -44.074 290 HG LEU 40 HG LEU 40 4.765 24.852 -45.226 291 HD11 LEU 40 HD11 LEU 40 4.196 26.865 -45.971 292 HD12 LEU 40 HD12 LEU 40 5.826 27.182 -46.564 293 HD13 LEU 40 HD13 LEU 40 5.417 27.529 -44.884 294 HD21 LEU 40 HD21 LEU 40 6.626 23.767 -46.225 295 HD22 LEU 40 HD22 LEU 40 7.508 25.285 -46.389 296 HD23 LEU 40 HD23 LEU 40 6.072 24.988 -47.370 297 H ARG 41 H ARG 41 8.159 25.830 -42.097 298 HA ARG 41 HA ARG 41 10.644 24.471 -41.816 299 HB2 ARG 41 HB2 ARG 41 12.061 25.798 -43.178 300 HB3 ARG 41 HB3 ARG 41 10.725 25.299 -44.208 301 HG2 ARG 41 HG2 ARG 41 9.915 27.723 -43.099 302 HG3 ARG 41 HG3 ARG 41 11.617 27.943 -43.510 303 HD2 ARG 41 HD2 ARG 41 9.359 27.124 -45.323 304 HD3 ARG 41 HD3 ARG 41 10.359 28.573 -45.422 305 HE ARG 41 HE ARG 41 12.146 26.553 -45.687 306 HH11 ARG 41 HH11 ARG 41 9.169 27.363 -47.301 307 HH12 ARG 41 HH12 ARG 41 9.646 26.661 -48.812 308 HH21 ARG 41 HH21 ARG 41 12.784 25.625 -47.670 309 HH22 ARG 41 HH22 ARG 41 11.701 25.672 -49.021 310 H LEU 42 H LEU 42 12.166 25.653 -40.508 311 HA LEU 42 HA LEU 42 11.396 28.214 -39.428 312 HB2 LEU 42 HB2 LEU 42 11.571 27.146 -37.049 313 HB3 LEU 42 HB3 LEU 42 10.043 27.151 -37.928 314 HG LEU 42 HG LEU 42 11.646 24.755 -38.403 315 HD11 LEU 42 HD11 LEU 42 11.802 23.876 -36.323 316 HD12 LEU 42 HD12 LEU 42 10.404 24.764 -35.719 317 HD13 LEU 42 HD13 LEU 42 11.961 25.576 -35.883 318 HD21 LEU 42 HD21 LEU 42 9.048 24.405 -37.196 319 HD22 LEU 42 HD22 LEU 42 9.616 23.940 -38.800 320 HD23 LEU 42 HD23 LEU 42 8.984 25.564 -38.524 321 H LYS 43 H LYS 43 12.965 28.864 -37.634 322 HA LYS 43 HA LYS 43 15.642 27.851 -38.328 323 HB2 LYS 43 HB2 LYS 43 16.415 30.122 -37.487 324 HB3 LYS 43 HB3 LYS 43 15.524 30.114 -39.003 325 HG2 LYS 43 HG2 LYS 43 13.475 30.719 -37.723 326 HG3 LYS 43 HG3 LYS 43 14.486 30.888 -36.286 327 HD2 LYS 43 HD2 LYS 43 15.240 32.892 -36.933 328 HD3 LYS 43 HD3 LYS 43 15.541 32.336 -38.581 329 HE2 LYS 43 HE2 LYS 43 12.769 32.925 -37.586 330 HE3 LYS 43 HE3 LYS 43 13.807 34.189 -38.243 331 HZ1 LYS 43 HZ1 LYS 43 12.193 32.964 -39.803 332 HZ2 LYS 43 HZ2 LYS 43 13.333 31.715 -39.771 333 HZ3 LYS 43 HZ3 LYS 43 13.774 33.247 -40.335 334 H THR 44 H THR 44 13.746 29.218 -35.646 335 HA THR 44 HA THR 44 15.564 27.871 -33.764 336 HB THR 44 HB THR 44 15.254 30.369 -33.546 337 HG1 THR 44 HG1 THR 44 15.010 30.198 -31.238 338 HG21 THR 44 HG21 THR 44 12.784 30.283 -34.047 339 HG22 THR 44 HG22 THR 44 13.231 31.244 -32.638 340 HG23 THR 44 HG23 THR 44 12.554 29.630 -32.426 341 H LYS 45 H LYS 45 12.215 28.237 -34.728 342 HA LYS 45 HA LYS 45 11.411 25.719 -33.893 343 HB2 LYS 45 HB2 LYS 45 11.662 26.263 -31.619 344 HB3 LYS 45 HB3 LYS 45 11.011 27.881 -31.843 345 HG2 LYS 45 HG2 LYS 45 8.792 26.964 -32.200 346 HG3 LYS 45 HG3 LYS 45 9.429 25.326 -32.043 347 HD2 LYS 45 HD2 LYS 45 10.328 26.467 -29.746 348 HD3 LYS 45 HD3 LYS 45 8.800 27.319 -29.977 349 HE2 LYS 45 HE2 LYS 45 9.078 24.320 -30.067 350 HE3 LYS 45 HE3 LYS 45 8.653 25.219 -28.611 351 HZ1 LYS 45 HZ1 LYS 45 7.103 25.011 -31.128 352 HZ2 LYS 45 HZ2 LYS 45 6.756 26.155 -29.931 353 HZ3 LYS 45 HZ3 LYS 45 6.644 24.504 -29.581 354 H GLN 46 H GLN 46 10.564 29.057 -34.478 355 HA GLN 46 HA GLN 46 8.210 28.145 -35.965 356 HB2 GLN 46 HB2 GLN 46 6.881 30.027 -35.092 357 HB3 GLN 46 HB3 GLN 46 7.350 28.904 -33.822 358 HG2 GLN 46 HG2 GLN 46 8.110 30.637 -32.680 359 HG3 GLN 46 HG3 GLN 46 9.386 30.797 -33.886 360 HE21 GLN 46 HE21 GLN 46 5.911 31.523 -33.743 361 HE22 GLN 46 HE22 GLN 46 6.054 33.147 -34.315 362 H ALA 47 H ALA 47 7.670 29.395 -37.754 363 HA ALA 47 HA ALA 47 8.693 31.918 -38.378 364 HB1 ALA 47 HB1 ALA 47 10.180 30.403 -40.273 365 HB2 ALA 47 HB2 ALA 47 10.764 31.576 -39.092 366 HB3 ALA 47 HB3 ALA 47 10.631 29.874 -38.652 367 H ARG 48 H ARG 48 8.611 28.991 -40.404 368 HA ARG 48 HA ARG 48 6.325 30.167 -41.845 369 HB2 ARG 48 HB2 ARG 48 8.904 29.427 -42.826 370 HB3 ARG 48 HB3 ARG 48 7.710 28.346 -43.533 371 HG2 ARG 48 HG2 ARG 48 6.410 30.364 -44.224 372 HG3 ARG 48 HG3 ARG 48 7.769 31.349 -43.680 373 HD2 ARG 48 HD2 ARG 48 8.328 29.109 -45.549 374 HD3 ARG 48 HD3 ARG 48 7.529 30.542 -46.195 375 HE ARG 48 HE ARG 48 9.878 31.115 -44.635 376 HH11 ARG 48 HH11 ARG 48 8.650 30.323 -47.795 377 HH12 ARG 48 HH12 ARG 48 10.001 31.009 -48.635 378 HH21 ARG 48 HH21 ARG 48 11.662 32.022 -45.729 379 HH22 ARG 48 HH22 ARG 48 11.714 31.974 -47.459 380 H CYS 49 H CYS 49 4.536 28.999 -41.716 381 HA CYS 49 HA CYS 49 4.781 26.096 -41.261 382 HB2 CYS 49 HB2 CYS 49 3.456 28.050 -39.706 383 HB3 CYS 49 HB3 CYS 49 2.200 27.104 -40.497 384 H TRP 50 H TRP 50 2.481 25.062 -41.806 385 HA TRP 50 HA TRP 50 1.906 25.879 -44.573 386 HB2 TRP 50 HB2 TRP 50 2.712 23.438 -43.671 387 HB3 TRP 50 HB3 TRP 50 0.962 23.237 -43.664 388 HD1 TRP 50 HD1 TRP 50 -0.115 24.313 -46.203 389 HE1 TRP 50 HE1 TRP 50 0.673 23.572 -48.539 390 HE3 TRP 50 HE3 TRP 50 4.474 22.435 -44.954 391 HZ2 TRP 50 HZ2 TRP 50 2.940 22.353 -49.698 392 HZ3 TRP 50 HZ3 TRP 50 5.890 21.500 -46.736 393 HH2 TRP 50 HH2 TRP 50 5.137 21.460 -49.058 394 H LYS 51 H LYS 51 0.013 26.801 -44.960 395 HA LYS 51 HA LYS 51 -2.056 26.794 -42.934 396 HB2 LYS 51 HB2 LYS 51 -1.294 28.478 -45.150 397 HB3 LYS 51 HB3 LYS 51 -3.007 28.093 -45.240 398 HG2 LYS 51 HG2 LYS 51 -3.127 29.943 -43.940 399 HG3 LYS 51 HG3 LYS 51 -2.903 28.737 -42.671 400 HD2 LYS 51 HD2 LYS 51 -0.456 29.889 -43.882 401 HD3 LYS 51 HD3 LYS 51 -1.415 30.951 -42.848 402 HE2 LYS 51 HE2 LYS 51 -1.252 29.397 -41.018 403 HE3 LYS 51 HE3 LYS 51 -0.453 28.208 -42.046 404 HZ1 LYS 51 HZ1 LYS 51 1.132 29.379 -40.654 405 HZ2 LYS 51 HZ2 LYS 51 0.647 30.865 -41.300 406 HZ3 LYS 51 HZ3 LYS 51 1.414 29.724 -42.286 407 H GLU 52 H GLU 52 -3.015 24.804 -42.884 408 HA GLU 52 HA GLU 52 -3.682 23.257 -45.138 409 HB2 GLU 52 HB2 GLU 52 -5.121 23.187 -42.487 410 HB3 GLU 52 HB3 GLU 52 -4.938 21.878 -43.647 411 HG2 GLU 52 HG2 GLU 52 -3.150 21.192 -42.553 412 HG3 GLU 52 HG3 GLU 52 -2.341 22.705 -42.959 413 H LYS 53 H LYS 53 -5.074 26.086 -43.896 414 HA LYS 53 HA LYS 53 -7.772 25.627 -44.732 415 HB2 LYS 53 HB2 LYS 53 -8.132 27.968 -44.237 416 HB3 LYS 53 HB3 LYS 53 -7.162 27.248 -42.959 417 HG2 LYS 53 HG2 LYS 53 -5.147 28.218 -43.927 418 HG3 LYS 53 HG3 LYS 53 -6.108 28.926 -45.228 419 HD2 LYS 53 HD2 LYS 53 -7.460 29.967 -43.230 420 HD3 LYS 53 HD3 LYS 53 -5.962 29.674 -42.343 421 HE2 LYS 53 HE2 LYS 53 -4.979 31.430 -43.293 422 HE3 LYS 53 HE3 LYS 53 -5.417 30.871 -44.907 423 HZ1 LYS 53 HZ1 LYS 53 -7.526 32.082 -43.292 424 HZ2 LYS 53 HZ2 LYS 53 -7.257 32.168 -44.960 425 HZ3 LYS 53 HZ3 LYS 53 -6.335 33.117 -43.905 426 H GLU 54 H GLU 54 -4.890 26.965 -46.198 427 HA GLU 54 HA GLU 54 -6.418 27.671 -48.604 428 HB2 GLU 54 HB2 GLU 54 -3.769 28.532 -47.506 429 HB3 GLU 54 HB3 GLU 54 -4.066 28.653 -49.234 430 HG2 GLU 54 HG2 GLU 54 -5.815 30.189 -48.937 431 HG3 GLU 54 HG3 GLU 54 -5.933 29.843 -47.213 432 H PHE 55 H PHE 55 -3.639 25.787 -47.497 433 HA PHE 55 HA PHE 55 -3.570 24.441 -50.112 434 HB2 PHE 55 HB2 PHE 55 -1.410 24.306 -48.014 435 HB3 PHE 55 HB3 PHE 55 -1.291 23.909 -49.725 436 HD1 PHE 55 HD2 PHE 55 -1.650 25.849 -51.388 437 HD2 PHE 55 HD1 PHE 55 -0.763 26.393 -47.261 438 HE1 PHE 55 HE2 PHE 55 -0.858 28.130 -51.862 439 HE2 PHE 55 HE1 PHE 55 0.029 28.675 -47.728 440 HZ PHE 55 HZ PHE 55 -0.017 29.546 -50.032 441 HA PRO 56 HA PRO 56 -5.462 21.081 -47.822 442 HB2 PRO 56 HB2 PRO 56 -5.877 19.515 -50.000 443 HB3 PRO 56 HB3 PRO 56 -6.921 20.880 -49.585 444 HG2 PRO 56 HG2 PRO 56 -4.695 20.736 -51.581 445 HG3 PRO 56 HG3 PRO 56 -6.291 21.491 -51.739 446 HD2 PRO 56 HD2 PRO 56 -4.053 22.917 -51.204 447 HD3 PRO 56 HD3 PRO 56 -5.651 23.382 -50.587 448 H ASN 57 H ASN 57 -2.636 21.070 -49.819 449 HA ASN 57 HA ASN 57 -1.843 18.413 -49.710 450 HB2 ASN 57 HB2 ASN 57 -0.759 20.652 -50.754 451 HB3 ASN 57 HB3 ASN 57 0.288 20.444 -49.353 452 HD21 ASN 57 HD21 ASN 57 0.399 17.704 -49.184 453 HD22 ASN 57 HD22 ASN 57 1.214 17.077 -50.573 454 H ALA 58 H ALA 58 -1.281 21.014 -47.365 455 HA ALA 58 HA ALA 58 0.325 19.580 -45.578 456 HB1 ALA 58 HB1 ALA 58 -0.941 22.124 -45.658 457 HB2 ALA 58 HB2 ALA 58 -1.277 21.384 -44.093 458 HB3 ALA 58 HB3 ALA 58 0.390 21.585 -44.634 459 H LYS 59 H LYS 59 -3.188 19.857 -45.828 460 HA LYS 59 HA LYS 59 -3.838 18.527 -43.436 461 HB2 LYS 59 HB2 LYS 59 -5.660 19.619 -44.316 462 HB3 LYS 59 HB3 LYS 59 -5.269 19.166 -45.970 463 HG2 LYS 59 HG2 LYS 59 -7.309 18.083 -45.211 464 HG3 LYS 59 HG3 LYS 59 -6.045 16.898 -45.547 465 HD2 LYS 59 HD2 LYS 59 -5.692 17.531 -42.869 466 HD3 LYS 59 HD3 LYS 59 -7.445 17.468 -43.071 467 HE2 LYS 59 HE2 LYS 59 -5.847 15.294 -44.302 468 HE3 LYS 59 HE3 LYS 59 -5.977 15.306 -42.544 469 HZ1 LYS 59 HZ1 LYS 59 -8.007 14.770 -44.548 470 HZ2 LYS 59 HZ2 LYS 59 -8.515 15.697 -43.228 471 HZ3 LYS 59 HZ3 LYS 59 -7.848 14.163 -42.977 472 H GLU 60 H GLU 60 -3.660 17.294 -46.776 473 HA GLU 60 HA GLU 60 -4.249 14.630 -46.214 474 HB2 GLU 60 HB2 GLU 60 -2.947 16.094 -48.427 475 HB3 GLU 60 HB3 GLU 60 -2.563 14.381 -48.320 476 HG2 GLU 60 HG2 GLU 60 -5.382 15.409 -48.318 477 HG3 GLU 60 HG3 GLU 60 -4.507 15.020 -49.798 478 H LEU 61 H LEU 61 -1.135 16.315 -46.244 479 HA LEU 61 HA LEU 61 0.459 14.034 -45.746 480 HB2 LEU 61 HB2 LEU 61 1.017 16.922 -45.086 481 HB3 LEU 61 HB3 LEU 61 2.210 15.626 -45.142 482 HG LEU 61 HG LEU 61 0.627 16.221 -47.597 483 HD11 LEU 61 HD11 LEU 61 2.289 17.913 -48.253 484 HD12 LEU 61 HD12 LEU 61 2.963 17.859 -46.624 485 HD13 LEU 61 HD13 LEU 61 1.312 18.425 -46.876 486 HD21 LEU 61 HD21 LEU 61 3.371 15.181 -46.949 487 HD22 LEU 61 HD22 LEU 61 2.913 15.681 -48.577 488 HD23 LEU 61 HD23 LEU 61 2.052 14.361 -47.785 489 H CYS 62 H CYS 62 -1.207 16.308 -43.650 490 HA CYS 62 HA CYS 62 -0.002 15.537 -41.219 491 HB2 CYS 62 HB2 CYS 62 -2.187 17.233 -42.070 492 HB3 CYS 62 HB3 CYS 62 -2.625 16.329 -40.624 493 H PHE 63 H PHE 63 -2.999 14.478 -42.806 494 HA PHE 63 HA PHE 63 -3.631 12.568 -40.776 495 HB2 PHE 63 HB2 PHE 63 -4.860 13.594 -43.177 496 HB3 PHE 63 HB3 PHE 63 -4.966 11.837 -43.142 497 HD1 PHE 63 HD1 PHE 63 -5.086 14.307 -40.362 498 HD2 PHE 63 HD2 PHE 63 -7.157 11.340 -42.604 499 HE1 PHE 63 HE1 PHE 63 -6.982 14.457 -38.802 500 HE2 PHE 63 HE2 PHE 63 -9.057 11.486 -41.048 501 HZ PHE 63 HZ PHE 63 -8.972 13.047 -39.144 502 H ALA 64 H ALA 64 -1.765 12.540 -43.704 503 HA ALA 64 HA ALA 64 -1.664 9.664 -43.906 504 HB1 ALA 64 HB1 ALA 64 -1.530 10.949 -45.934 505 HB2 ALA 64 HB2 ALA 64 -0.120 11.823 -45.335 506 HB3 ALA 64 HB3 ALA 64 -0.002 10.100 -45.693 507 H ASN 65 H ASN 65 0.108 12.147 -42.293 508 HA ASN 65 HA ASN 65 2.639 11.102 -42.042 509 HB2 ASN 65 HB2 ASN 65 2.605 13.094 -40.961 510 HB3 ASN 65 HB3 ASN 65 0.938 12.889 -40.430 511 HD21 ASN 65 HD21 ASN 65 0.515 11.981 -38.458 512 HD22 ASN 65 HD22 ASN 65 1.741 11.656 -37.285 513 H CYS 66 H CYS 66 3.423 9.262 -41.275 514 HA CYS 66 HA CYS 66 2.216 7.989 -38.960 515 HB2 CYS 66 HB2 CYS 66 1.909 6.985 -41.695 516 HB3 CYS 66 HB3 CYS 66 2.575 5.793 -40.583 517 HA PRO 67 HA PRO 67 6.333 6.817 -38.006 518 HB2 PRO 67 HB2 PRO 67 6.016 4.365 -36.885 519 HB3 PRO 67 HB3 PRO 67 5.522 5.860 -36.081 520 HG2 PRO 67 HG2 PRO 67 3.860 3.891 -37.605 521 HG3 PRO 67 HG3 PRO 67 3.501 4.709 -36.073 522 HD2 PRO 67 HD2 PRO 67 2.467 5.527 -38.438 523 HD3 PRO 67 HD3 PRO 67 2.846 6.655 -37.121 524 HA PRO 68 HA PRO 68 8.206 4.267 -41.059 525 HB2 PRO 68 HB2 PRO 68 10.251 3.100 -39.707 526 HB3 PRO 68 HB3 PRO 68 10.243 4.812 -40.147 527 HG2 PRO 68 HG2 PRO 68 9.564 3.525 -37.531 528 HG3 PRO 68 HG3 PRO 68 10.519 4.986 -37.845 529 HD2 PRO 68 HD2 PRO 68 7.932 5.080 -37.051 530 HD3 PRO 68 HD3 PRO 68 8.647 6.303 -38.121 531 H LEU 69 H LEU 69 8.600 2.092 -41.769 532 HA LEU 69 HA LEU 69 7.306 0.036 -40.104 533 HB2 LEU 69 HB2 LEU 69 6.536 -0.994 -42.249 534 HB3 LEU 69 HB3 LEU 69 5.770 0.538 -41.832 535 HG LEU 69 HG LEU 69 8.111 0.599 -43.666 536 HD11 LEU 69 HD11 LEU 69 5.508 -0.690 -44.256 537 HD12 LEU 69 HD12 LEU 69 7.113 -1.024 -44.904 538 HD13 LEU 69 HD13 LEU 69 6.199 0.366 -45.489 539 HD21 LEU 69 HD21 LEU 69 7.353 2.649 -44.133 540 HD22 LEU 69 HD22 LEU 69 6.353 2.461 -42.692 541 HD23 LEU 69 HD23 LEU 69 5.685 2.098 -44.284 542 H GLU 70 H GLU 70 10.071 0.553 -40.113 543 HA GLU 70 HA GLU 70 11.088 -1.853 -41.478 544 HB2 GLU 70 HB2 GLU 70 12.418 0.811 -41.016 545 HB3 GLU 70 HB3 GLU 70 13.337 -0.640 -41.391 546 HG2 GLU 70 HG2 GLU 70 11.704 -0.805 -43.418 547 HG3 GLU 70 HG3 GLU 70 11.466 0.914 -43.110 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -2.833 -4.250 5.528 2 HA2 GLY 1 HA2 GLY 1 -2.422 -3.983 3.117 3 HA3 GLY 1 HA3 GLY 1 -2.786 -2.425 3.843 4 HA PRO 2 HA PRO 2 2.025 -2.618 3.288 5 HB2 PRO 2 HB2 PRO 2 2.964 -4.636 1.733 6 HB3 PRO 2 HB3 PRO 2 2.789 -4.776 3.487 7 HG2 PRO 2 HG2 PRO 2 0.974 -5.757 1.317 8 HG3 PRO 2 HG3 PRO 2 1.486 -6.577 2.804 9 HD2 PRO 2 HD2 PRO 2 -0.925 -5.368 2.562 10 HD3 PRO 2 HD3 PRO 2 -0.048 -5.448 4.103 11 H GLU 3 H GLU 3 3.528 -2.551 1.206 12 HA GLU 3 HA GLU 3 2.146 -0.922 -0.687 13 HB2 GLU 3 HB2 GLU 3 4.896 -1.557 -0.023 14 HB3 GLU 3 HB3 GLU 3 4.652 -1.531 -1.764 15 HG2 GLU 3 HG2 GLU 3 3.881 0.710 -1.712 16 HG3 GLU 3 HG3 GLU 3 3.780 0.700 0.048 17 H LYS 4 H LYS 4 0.781 -1.850 -2.079 18 HA LYS 4 HA LYS 4 1.670 -4.276 -3.495 19 HB2 LYS 4 HB2 LYS 4 -1.130 -3.271 -2.955 20 HB3 LYS 4 HB3 LYS 4 -0.747 -4.675 -3.944 21 HG2 LYS 4 HG2 LYS 4 0.398 -5.640 -1.914 22 HG3 LYS 4 HG3 LYS 4 -0.331 -4.325 -0.989 23 HD2 LYS 4 HD2 LYS 4 -1.771 -6.205 -0.774 24 HD3 LYS 4 HD3 LYS 4 -2.561 -5.079 -1.880 25 HE2 LYS 4 HE2 LYS 4 -1.916 -6.381 -3.776 26 HE3 LYS 4 HE3 LYS 4 -0.875 -7.405 -2.787 27 HZ1 LYS 4 HZ1 LYS 4 -2.594 -8.653 -2.140 28 HZ2 LYS 4 HZ2 LYS 4 -3.411 -7.992 -3.465 29 HZ3 LYS 4 HZ3 LYS 4 -3.626 -7.329 -1.924 30 H MET 5 H MET 5 0.207 -4.378 -5.673 31 HA MET 5 HA MET 5 -0.084 -1.874 -7.024 32 HB2 MET 5 HB2 MET 5 2.498 -2.897 -6.989 33 HB3 MET 5 HB3 MET 5 1.864 -3.411 -8.546 34 HG2 MET 5 HG2 MET 5 1.198 -1.037 -8.960 35 HG3 MET 5 HG3 MET 5 2.073 -0.605 -7.493 36 HE1 MET 5 HE1 MET 5 5.590 -0.250 -8.498 37 HE2 MET 5 HE2 MET 5 4.210 0.305 -7.550 38 HE3 MET 5 HE3 MET 5 4.877 -1.306 -7.279 39 H GLU 6 H GLU 6 -1.761 -2.164 -8.325 40 HA GLU 6 HA GLU 6 -1.926 -4.296 -10.196 41 HB2 GLU 6 HB2 GLU 6 -4.022 -5.313 -9.303 42 HB3 GLU 6 HB3 GLU 6 -2.601 -5.631 -8.318 43 HG2 GLU 6 HG2 GLU 6 -3.437 -4.559 -6.547 44 HG3 GLU 6 HG3 GLU 6 -4.081 -3.241 -7.525 45 H VAL 7 H VAL 7 -3.203 -3.724 -11.864 46 HA VAL 7 HA VAL 7 -5.549 -2.185 -11.687 47 HB VAL 7 HB VAL 7 -4.051 -0.346 -11.108 48 HG11 VAL 7 HG11 VAL 7 -2.034 -1.231 -12.220 49 HG12 VAL 7 HG12 VAL 7 -2.743 -0.823 -13.784 50 HG13 VAL 7 HG13 VAL 7 -2.351 0.454 -12.632 51 HG21 VAL 7 HG21 VAL 7 -6.092 -0.095 -12.647 52 HG22 VAL 7 HG22 VAL 7 -4.944 1.241 -12.570 53 HG23 VAL 7 HG23 VAL 7 -4.914 0.132 -13.941 54 H LYS 8 H LYS 8 -6.687 -2.405 -13.525 55 HA LYS 8 HA LYS 8 -5.235 -3.303 -15.929 56 HB2 LYS 8 HB2 LYS 8 -7.689 -4.343 -14.608 57 HB3 LYS 8 HB3 LYS 8 -7.658 -4.349 -16.367 58 HG2 LYS 8 HG2 LYS 8 -5.509 -5.605 -16.255 59 HG3 LYS 8 HG3 LYS 8 -5.729 -5.718 -14.507 60 HD2 LYS 8 HD2 LYS 8 -8.114 -6.631 -15.288 61 HD3 LYS 8 HD3 LYS 8 -7.168 -7.095 -16.704 62 HE2 LYS 8 HE2 LYS 8 -6.105 -8.726 -15.596 63 HE3 LYS 8 HE3 LYS 8 -5.860 -7.720 -14.169 64 HZ1 LYS 8 HZ1 LYS 8 -8.367 -9.149 -14.873 65 HZ2 LYS 8 HZ2 LYS 8 -8.144 -8.174 -13.510 66 HZ3 LYS 8 HZ3 LYS 8 -7.268 -9.612 -13.673 67 H GLU 9 H GLU 9 -5.211 -1.647 -17.311 68 HA GLU 9 HA GLU 9 -7.625 0.009 -17.573 69 HB2 GLU 9 HB2 GLU 9 -4.899 0.663 -18.678 70 HB3 GLU 9 HB3 GLU 9 -6.255 1.752 -18.424 71 HG2 GLU 9 HG2 GLU 9 -5.851 0.876 -15.905 72 HG3 GLU 9 HG3 GLU 9 -4.210 0.804 -16.543 73 H ILE 10 H ILE 10 -7.274 1.087 -20.044 74 HA ILE 10 HA ILE 10 -7.471 -1.258 -21.818 75 HB ILE 10 HB ILE 10 -8.850 1.378 -22.289 76 HG12 ILE 10 HG12 ILE 10 -9.722 0.531 -20.200 77 HG13 ILE 10 HG13 ILE 10 -10.915 0.245 -21.462 78 HG21 ILE 10 HG21 ILE 10 -9.246 0.445 -24.268 79 HG22 ILE 10 HG22 ILE 10 -8.573 -1.098 -23.743 80 HG23 ILE 10 HG23 ILE 10 -10.269 -0.725 -23.434 81 HD11 ILE 10 HD11 ILE 10 -9.191 -1.708 -20.012 82 HD12 ILE 10 HD12 ILE 10 -10.932 -1.736 -20.295 83 HD13 ILE 10 HD13 ILE 10 -9.818 -2.094 -21.614 84 H GLY 11 H GLY 11 -4.982 -0.460 -21.600 85 HA2 GLY 11 HA2 GLY 11 -4.357 1.639 -23.505 86 HA3 GLY 11 HA3 GLY 11 -3.204 0.698 -22.571 87 H ARG 12 H ARG 12 -5.408 0.534 -25.338 88 HA ARG 12 HA ARG 12 -3.534 -1.357 -26.592 89 HB2 ARG 12 HB2 ARG 12 -6.549 -1.471 -26.569 90 HB3 ARG 12 HB3 ARG 12 -5.570 -2.364 -27.724 91 HG2 ARG 12 HG2 ARG 12 -5.116 -3.958 -26.246 92 HG3 ARG 12 HG3 ARG 12 -4.684 -2.786 -25.000 93 HD2 ARG 12 HD2 ARG 12 -6.582 -4.174 -24.318 94 HD3 ARG 12 HD3 ARG 12 -7.033 -2.475 -24.454 95 HE ARG 12 HE ARG 12 -7.675 -3.507 -26.880 96 HH11 ARG 12 HH11 ARG 12 -8.453 -4.370 -23.599 97 HH12 ARG 12 HH12 ARG 12 -10.002 -5.033 -24.002 98 HH21 ARG 12 HH21 ARG 12 -9.712 -4.377 -27.424 99 HH22 ARG 12 HH22 ARG 12 -10.717 -5.037 -26.179 100 H SER 13 H SER 13 -2.891 0.986 -27.256 101 HA SER 13 HA SER 13 -4.218 1.543 -29.823 102 HB2 SER 13 HB2 SER 13 -3.456 3.998 -29.318 103 HB3 SER 13 HB3 SER 13 -4.944 3.382 -28.598 104 HG SER 13 HG SER 13 -3.911 3.131 -26.671 105 H SER 14 H SER 14 -2.892 2.158 -31.520 106 HA SER 14 HA SER 14 -0.053 1.557 -31.120 107 HB2 SER 14 HB2 SER 14 -1.896 1.475 -33.480 108 HB3 SER 14 HB3 SER 14 -0.161 1.644 -33.747 109 HG SER 14 HG SER 14 -0.712 -0.538 -33.721 110 H LYS 15 H LYS 15 -1.212 4.104 -30.318 111 HA LYS 15 HA LYS 15 -0.592 6.119 -32.213 112 HB2 LYS 15 HB2 LYS 15 -1.004 7.673 -30.487 113 HB3 LYS 15 HB3 LYS 15 -2.082 6.323 -30.154 114 HG2 LYS 15 HG2 LYS 15 0.606 6.505 -28.850 115 HG3 LYS 15 HG3 LYS 15 -0.786 7.377 -28.205 116 HD2 LYS 15 HD2 LYS 15 -1.265 5.500 -27.091 117 HD3 LYS 15 HD3 LYS 15 -1.769 4.836 -28.647 118 HE2 LYS 15 HE2 LYS 15 -0.208 3.344 -27.503 119 HE3 LYS 15 HE3 LYS 15 0.474 3.954 -29.010 120 HZ1 LYS 15 HZ1 LYS 15 1.889 3.944 -26.854 121 HZ2 LYS 15 HZ2 LYS 15 1.045 5.364 -26.495 122 HZ3 LYS 15 HZ3 LYS 15 1.975 5.267 -27.905 123 H ILE 16 H ILE 16 1.203 7.438 -32.415 124 HA ILE 16 HA ILE 16 3.463 7.300 -30.702 125 HB ILE 16 HB ILE 16 4.851 6.430 -32.867 126 HG12 ILE 16 HG12 ILE 16 2.442 4.615 -32.719 127 HG13 ILE 16 HG13 ILE 16 2.626 5.860 -33.949 128 HG21 ILE 16 HG21 ILE 16 4.121 5.443 -30.268 129 HG22 ILE 16 HG22 ILE 16 4.307 4.108 -31.405 130 HG23 ILE 16 HG23 ILE 16 5.631 5.246 -31.157 131 HD11 ILE 16 HD11 ILE 16 3.537 4.195 -35.133 132 HD12 ILE 16 HD12 ILE 16 4.981 4.563 -34.190 133 HD13 ILE 16 HD13 ILE 16 3.919 3.244 -33.699 134 H ILE 17 H ILE 17 5.371 8.472 -31.677 135 HA ILE 17 HA ILE 17 4.401 10.565 -33.512 136 HB ILE 17 HB ILE 17 6.038 12.081 -32.462 137 HG12 ILE 17 HG12 ILE 17 7.399 9.981 -31.627 138 HG13 ILE 17 HG13 ILE 17 7.428 11.488 -30.718 139 HG21 ILE 17 HG21 ILE 17 3.932 12.413 -31.589 140 HG22 ILE 17 HG22 ILE 17 3.866 10.810 -30.858 141 HG23 ILE 17 HG23 ILE 17 4.865 12.069 -30.133 142 HD11 ILE 17 HD11 ILE 17 7.023 9.167 -29.549 143 HD12 ILE 17 HD12 ILE 17 6.209 10.632 -29.000 144 HD13 ILE 17 HD13 ILE 17 5.355 9.482 -30.028 145 H LEU 18 H LEU 18 6.184 11.666 -34.742 146 HA LEU 18 HA LEU 18 8.265 9.731 -35.520 147 HB2 LEU 18 HB2 LEU 18 6.337 10.059 -37.147 148 HB3 LEU 18 HB3 LEU 18 6.970 11.684 -37.402 149 HG LEU 18 HG LEU 18 8.610 9.205 -37.878 150 HD11 LEU 18 HD11 LEU 18 7.426 8.774 -39.700 151 HD12 LEU 18 HD12 LEU 18 7.848 10.368 -40.323 152 HD13 LEU 18 HD13 LEU 18 6.371 10.151 -39.383 153 HD21 LEU 18 HD21 LEU 18 10.185 10.797 -37.979 154 HD22 LEU 18 HD22 LEU 18 9.004 12.097 -38.133 155 HD23 LEU 18 HD23 LEU 18 9.482 11.167 -39.554 156 HA PRO 19 HA PRO 19 10.724 13.281 -34.244 157 HB2 PRO 19 HB2 PRO 19 13.073 11.921 -34.210 158 HB3 PRO 19 HB3 PRO 19 11.895 11.837 -32.894 159 HG2 PRO 19 HG2 PRO 19 12.367 9.914 -35.140 160 HG3 PRO 19 HG3 PRO 19 12.073 9.580 -33.423 161 HD2 PRO 19 HD2 PRO 19 10.135 9.366 -35.302 162 HD3 PRO 19 HD3 PRO 19 9.794 9.857 -33.630 163 H ALA 20 H ALA 20 11.994 14.698 -35.368 164 HA ALA 20 HA ALA 20 13.644 14.094 -37.543 165 HB1 ALA 20 HB1 ALA 20 10.799 14.616 -38.215 166 HB2 ALA 20 HB2 ALA 20 12.039 15.322 -39.253 167 HB3 ALA 20 HB3 ALA 20 11.980 13.576 -39.011 168 H CYS 21 H CYS 21 11.241 16.704 -37.369 169 HA CYS 21 HA CYS 21 13.308 18.558 -36.452 170 HB2 CYS 21 HB2 CYS 21 12.516 20.200 -38.236 171 HB3 CYS 21 HB3 CYS 21 13.523 18.865 -38.788 172 H MET 22 H MET 22 9.907 18.050 -37.291 173 HA MET 22 HA MET 22 9.163 20.100 -35.318 174 HB2 MET 22 HB2 MET 22 8.251 19.622 -37.935 175 HB3 MET 22 HB3 MET 22 6.940 19.126 -36.874 176 HG2 MET 22 HG2 MET 22 6.649 21.425 -37.492 177 HG3 MET 22 HG3 MET 22 7.027 21.321 -35.774 178 HE1 MET 22 HE1 MET 22 7.474 24.276 -36.636 179 HE2 MET 22 HE2 MET 22 7.801 23.412 -35.134 180 HE3 MET 22 HE3 MET 22 9.058 24.406 -35.871 181 H HIS 23 H HIS 23 6.599 19.376 -34.752 182 HA HIS 23 HA HIS 23 6.963 16.803 -33.366 183 HB2 HIS 23 HB2 HIS 23 5.324 19.226 -32.607 184 HB3 HIS 23 HB3 HIS 23 5.242 17.684 -31.759 185 HD1 HIS 23 HD1 HIS 23 7.517 16.917 -30.563 186 HD2 HIS 23 HD2 HIS 23 7.350 20.877 -31.809 187 HE1 HIS 23 HE1 HIS 23 9.368 18.089 -29.328 188 H GLU 24 H GLU 24 5.943 15.235 -34.433 189 HA GLU 24 HA GLU 24 3.198 15.760 -35.366 190 HB2 GLU 24 HB2 GLU 24 3.645 14.057 -37.160 191 HB3 GLU 24 HB3 GLU 24 4.534 15.563 -37.332 192 HG2 GLU 24 HG2 GLU 24 6.413 14.292 -36.068 193 HG3 GLU 24 HG3 GLU 24 5.530 12.855 -36.580 194 H THR 25 H THR 25 1.884 13.743 -35.576 195 HA THR 25 HA THR 25 2.690 11.464 -34.003 196 HB THR 25 HB THR 25 0.238 12.902 -33.026 197 HG1 THR 25 HG1 THR 25 1.493 13.913 -31.481 198 HG21 THR 25 HG21 THR 25 2.046 10.754 -31.935 199 HG22 THR 25 HG22 THR 25 0.331 10.636 -32.331 200 HG23 THR 25 HG23 THR 25 0.853 11.594 -30.945 201 H CYS 26 H CYS 26 0.993 9.778 -33.955 202 HA CYS 26 HA CYS 26 -1.226 10.064 -35.782 203 HB2 CYS 26 HB2 CYS 26 1.077 9.388 -36.993 204 HB3 CYS 26 HB3 CYS 26 0.545 7.788 -36.488 205 H SER 27 H SER 27 -2.801 8.506 -35.498 206 HA SER 27 HA SER 27 -2.374 6.093 -34.051 207 HB2 SER 27 HB2 SER 27 -2.251 7.767 -32.195 208 HB3 SER 27 HB3 SER 27 -3.902 8.252 -32.580 209 HG SER 27 HG SER 27 -4.057 6.740 -30.984 210 H GLY 28 H GLY 28 -3.898 4.686 -34.646 211 HA2 GLY 28 HA2 GLY 28 -6.590 5.647 -35.276 212 HA3 GLY 28 HA3 GLY 28 -5.698 4.843 -36.559 213 H GLY 29 H GLY 29 -7.888 4.400 -34.105 214 HA2 GLY 29 HA2 GLY 29 -8.884 2.110 -34.164 215 HA3 GLY 29 HA3 GLY 29 -7.244 1.520 -33.937 216 H PHE 30 H PHE 30 -8.581 4.328 -32.307 217 HA PHE 30 HA PHE 30 -9.443 3.086 -29.952 218 HB2 PHE 30 HB2 PHE 30 -7.182 2.379 -29.576 219 HB3 PHE 30 HB3 PHE 30 -6.559 3.985 -29.940 220 HD1 PHE 30 HD2 PHE 30 -8.421 1.979 -27.477 221 HD2 PHE 30 HD1 PHE 30 -6.489 5.683 -28.288 222 HE1 PHE 30 HE2 PHE 30 -8.534 2.557 -25.088 223 HE2 PHE 30 HE1 PHE 30 -6.598 6.267 -25.900 224 HZ PHE 30 HZ PHE 30 -7.623 4.703 -24.297 225 H SER 31 H SER 31 -7.384 5.901 -30.713 226 HA SER 31 HA SER 31 -9.486 7.617 -29.562 227 HB2 SER 31 HB2 SER 31 -6.489 7.812 -29.470 228 HB3 SER 31 HB3 SER 31 -7.482 9.257 -29.284 229 HG SER 31 HG SER 31 -7.129 8.421 -27.257 230 H LEU 32 H LEU 32 -7.457 6.970 -32.281 231 HA LEU 32 HA LEU 32 -7.302 7.871 -34.364 232 HB2 LEU 32 HB2 LEU 32 -9.693 7.372 -34.365 233 HB3 LEU 32 HB3 LEU 32 -10.027 8.950 -33.655 234 HG LEU 32 HG LEU 32 -8.676 9.639 -35.924 235 HD11 LEU 32 HD11 LEU 32 -10.386 7.247 -36.592 236 HD12 LEU 32 HD12 LEU 32 -8.629 7.330 -36.713 237 HD13 LEU 32 HD13 LEU 32 -9.632 8.341 -37.752 238 HD21 LEU 32 HD21 LEU 32 -10.819 10.528 -34.970 239 HD22 LEU 32 HD22 LEU 32 -11.653 9.203 -35.783 240 HD23 LEU 32 HD23 LEU 32 -10.778 10.408 -36.730 241 H LYS 33 H LYS 33 -5.597 9.276 -34.012 242 HA LYS 33 HA LYS 33 -6.236 12.070 -34.265 243 HB2 LYS 33 HB2 LYS 33 -5.003 12.834 -32.313 244 HB3 LYS 33 HB3 LYS 33 -6.321 11.779 -31.818 245 HG2 LYS 33 HG2 LYS 33 -4.932 10.329 -30.863 246 HG3 LYS 33 HG3 LYS 33 -3.847 10.325 -32.256 247 HD2 LYS 33 HD2 LYS 33 -2.660 11.141 -30.318 248 HD3 LYS 33 HD3 LYS 33 -2.888 12.465 -31.462 249 HE2 LYS 33 HE2 LYS 33 -4.424 13.534 -30.126 250 HE3 LYS 33 HE3 LYS 33 -4.913 12.046 -29.316 251 HZ1 LYS 33 HZ1 LYS 33 -2.162 12.818 -28.876 252 HZ2 LYS 33 HZ2 LYS 33 -3.323 12.269 -27.775 253 HZ3 LYS 33 HZ3 LYS 33 -3.301 13.895 -28.240 254 H ASN 34 H ASN 34 -4.241 13.398 -34.553 255 HA ASN 34 HA ASN 34 -1.728 12.157 -34.989 256 HB2 ASN 34 HB2 ASN 34 -1.888 12.790 -37.570 257 HB3 ASN 34 HB3 ASN 34 -2.351 11.198 -36.978 258 HD21 ASN 34 HD21 ASN 34 -3.952 14.363 -36.981 259 HD22 ASN 34 HD22 ASN 34 -5.393 13.822 -37.766 260 H ASP 35 H ASP 35 -0.129 13.655 -35.131 261 HA ASP 35 HA ASP 35 -0.982 16.466 -35.164 262 HB2 ASP 35 HB2 ASP 35 1.040 14.958 -33.670 263 HB3 ASP 35 HB3 ASP 35 1.644 16.473 -34.337 264 H CYS 36 H CYS 36 -0.331 17.822 -36.721 265 HA CYS 36 HA CYS 36 0.656 16.978 -39.146 266 HB2 CYS 36 HB2 CYS 36 0.166 19.534 -37.850 267 HB3 CYS 36 HB3 CYS 36 1.540 19.613 -38.947 268 H TRP 37 H TRP 37 2.732 17.739 -40.199 269 HA TRP 37 HA TRP 37 4.982 17.197 -38.376 270 HB2 TRP 37 HB2 TRP 37 6.173 16.289 -40.325 271 HB3 TRP 37 HB3 TRP 37 4.655 15.439 -40.050 272 HD1 TRP 37 HD1 TRP 37 2.581 16.152 -41.752 273 HE1 TRP 37 HE1 TRP 37 2.684 16.824 -44.235 274 HE3 TRP 37 HE3 TRP 37 7.531 17.395 -42.052 275 HZ2 TRP 37 HZ2 TRP 37 4.609 17.757 -46.076 276 HZ3 TRP 37 HZ3 TRP 37 8.424 18.168 -44.210 277 HH2 TRP 37 HH2 TRP 37 6.992 18.344 -46.180 278 H CYS 38 H CYS 38 7.087 17.905 -39.961 279 HA CYS 38 HA CYS 38 7.456 20.573 -39.509 280 HB2 CYS 38 HB2 CYS 38 8.836 18.513 -40.918 281 HB3 CYS 38 HB3 CYS 38 8.850 19.962 -41.918 282 H CYS 39 H CYS 39 7.035 22.471 -40.525 283 HA CYS 39 HA CYS 39 4.952 22.481 -42.503 284 HB2 CYS 39 HB2 CYS 39 5.915 24.277 -40.559 285 HB3 CYS 39 HB3 CYS 39 6.166 25.068 -42.112 286 H LEU 40 H LEU 40 5.513 24.617 -44.107 287 HA LEU 40 HA LEU 40 6.868 23.534 -46.243 288 HB2 LEU 40 HB2 LEU 40 5.373 25.646 -46.050 289 HB3 LEU 40 HB3 LEU 40 6.896 26.489 -45.775 290 HG LEU 40 HG LEU 40 7.017 24.810 -48.133 291 HD11 LEU 40 HD11 LEU 40 5.079 27.088 -48.336 292 HD12 LEU 40 HD12 LEU 40 4.540 25.442 -48.007 293 HD13 LEU 40 HD13 LEU 40 5.408 25.804 -49.499 294 HD21 LEU 40 HD21 LEU 40 7.615 27.602 -47.313 295 HD22 LEU 40 HD22 LEU 40 7.449 27.258 -49.035 296 HD23 LEU 40 HD23 LEU 40 8.654 26.398 -48.076 297 H ARG 41 H ARG 41 8.158 26.220 -44.278 298 HA ARG 41 HA ARG 41 10.700 24.997 -43.928 299 HB2 ARG 41 HB2 ARG 41 12.046 26.431 -45.336 300 HB3 ARG 41 HB3 ARG 41 10.859 25.594 -46.327 301 HG2 ARG 41 HG2 ARG 41 9.947 27.500 -47.018 302 HG3 ARG 41 HG3 ARG 41 9.890 28.159 -45.382 303 HD2 ARG 41 HD2 ARG 41 12.273 28.136 -47.229 304 HD3 ARG 41 HD3 ARG 41 11.295 29.538 -46.798 305 HE ARG 41 HE ARG 41 12.308 28.375 -44.453 306 HH11 ARG 41 HH11 ARG 41 13.391 30.138 -47.253 307 HH12 ARG 41 HH12 ARG 41 14.739 30.860 -46.439 308 HH21 ARG 41 HH21 ARG 41 14.079 29.320 -43.370 309 HH22 ARG 41 HH22 ARG 41 15.130 30.394 -44.230 310 H LEU 42 H LEU 42 12.200 26.371 -42.754 311 HA LEU 42 HA LEU 42 11.312 28.946 -41.826 312 HB2 LEU 42 HB2 LEU 42 11.587 27.978 -39.376 313 HB3 LEU 42 HB3 LEU 42 10.035 28.007 -40.210 314 HG LEU 42 HG LEU 42 11.565 25.551 -40.649 315 HD11 LEU 42 HD11 LEU 42 10.374 25.812 -37.928 316 HD12 LEU 42 HD12 LEU 42 12.031 26.350 -38.206 317 HD13 LEU 42 HD13 LEU 42 11.582 24.674 -38.526 318 HD21 LEU 42 HD21 LEU 42 8.792 26.451 -40.224 319 HD22 LEU 42 HD22 LEU 42 9.174 24.832 -39.636 320 HD23 LEU 42 HD23 LEU 42 9.439 25.241 -41.332 321 H LYS 43 H LYS 43 12.908 30.057 -40.597 322 HA LYS 43 HA LYS 43 15.597 29.170 -41.202 323 HB2 LYS 43 HB2 LYS 43 15.041 31.500 -41.585 324 HB3 LYS 43 HB3 LYS 43 14.550 31.694 -39.908 325 HG2 LYS 43 HG2 LYS 43 17.220 30.709 -39.962 326 HG3 LYS 43 HG3 LYS 43 17.100 32.096 -41.048 327 HD2 LYS 43 HD2 LYS 43 15.737 33.081 -38.979 328 HD3 LYS 43 HD3 LYS 43 16.767 31.945 -38.104 329 HE2 LYS 43 HE2 LYS 43 18.681 33.012 -39.497 330 HE3 LYS 43 HE3 LYS 43 17.536 34.330 -39.740 331 HZ1 LYS 43 HZ1 LYS 43 17.870 33.413 -37.002 332 HZ2 LYS 43 HZ2 LYS 43 17.697 34.984 -37.605 333 HZ3 LYS 43 HZ3 LYS 43 19.200 34.210 -37.680 334 H THR 44 H THR 44 14.047 30.415 -38.236 335 HA THR 44 HA THR 44 15.928 28.788 -36.669 336 HB THR 44 HB THR 44 15.844 31.270 -36.251 337 HG1 THR 44 HG1 THR 44 15.002 29.947 -33.911 338 HG21 THR 44 HG21 THR 44 13.218 31.157 -36.439 339 HG22 THR 44 HG22 THR 44 13.998 32.324 -35.371 340 HG23 THR 44 HG23 THR 44 13.328 30.833 -34.710 341 H LYS 45 H LYS 45 12.523 29.466 -37.183 342 HA LYS 45 HA LYS 45 11.684 26.925 -36.337 343 HB2 LYS 45 HB2 LYS 45 10.706 27.299 -34.224 344 HB3 LYS 45 HB3 LYS 45 12.314 28.005 -34.113 345 HG2 LYS 45 HG2 LYS 45 11.179 29.725 -33.214 346 HG3 LYS 45 HG3 LYS 45 10.935 30.163 -34.906 347 HD2 LYS 45 HD2 LYS 45 8.765 29.148 -34.922 348 HD3 LYS 45 HD3 LYS 45 9.019 28.464 -33.314 349 HE2 LYS 45 HE2 LYS 45 9.415 31.323 -33.305 350 HE3 LYS 45 HE3 LYS 45 7.826 30.907 -33.945 351 HZ1 LYS 45 HZ1 LYS 45 8.706 29.559 -31.505 352 HZ2 LYS 45 HZ2 LYS 45 7.154 30.040 -31.973 353 HZ3 LYS 45 HZ3 LYS 45 8.250 31.184 -31.380 354 H GLN 46 H GLN 46 10.944 30.286 -36.932 355 HA GLN 46 HA GLN 46 8.409 29.449 -38.162 356 HB2 GLN 46 HB2 GLN 46 7.366 31.547 -37.381 357 HB3 GLN 46 HB3 GLN 46 7.839 30.498 -36.052 358 HG2 GLN 46 HG2 GLN 46 9.879 31.860 -35.756 359 HG3 GLN 46 HG3 GLN 46 9.296 32.948 -37.015 360 HE21 GLN 46 HE21 GLN 46 6.617 33.058 -36.395 361 HE22 GLN 46 HE22 GLN 46 6.414 33.840 -34.867 362 H ALA 47 H ALA 47 7.887 30.432 -40.076 363 HA ALA 47 HA ALA 47 8.952 32.815 -41.072 364 HB1 ALA 47 HB1 ALA 47 10.287 30.951 -42.792 365 HB2 ALA 47 HB2 ALA 47 10.950 32.321 -41.900 366 HB3 ALA 47 HB3 ALA 47 10.839 30.738 -41.130 367 H ARG 48 H ARG 48 8.690 29.664 -42.706 368 HA ARG 48 HA ARG 48 6.353 30.717 -44.160 369 HB2 ARG 48 HB2 ARG 48 8.839 29.965 -45.219 370 HB3 ARG 48 HB3 ARG 48 7.748 28.643 -45.611 371 HG2 ARG 48 HG2 ARG 48 7.367 31.549 -46.299 372 HG3 ARG 48 HG3 ARG 48 7.783 30.243 -47.410 373 HD2 ARG 48 HD2 ARG 48 5.591 29.156 -46.585 374 HD3 ARG 48 HD3 ARG 48 5.194 30.770 -45.996 375 HE ARG 48 HE ARG 48 5.981 30.999 -48.662 376 HH11 ARG 48 HH11 ARG 48 3.408 29.585 -46.790 377 HH12 ARG 48 HH12 ARG 48 2.232 29.732 -48.054 378 HH21 ARG 48 HH21 ARG 48 4.442 31.199 -50.333 379 HH22 ARG 48 HH22 ARG 48 2.821 30.650 -50.069 380 H CYS 49 H CYS 49 4.667 29.300 -44.598 381 HA CYS 49 HA CYS 49 4.859 26.586 -43.512 382 HB2 CYS 49 HB2 CYS 49 3.509 28.704 -42.212 383 HB3 CYS 49 HB3 CYS 49 2.266 27.664 -42.901 384 H TRP 50 H TRP 50 2.545 25.508 -43.952 385 HA TRP 50 HA TRP 50 2.025 25.974 -46.809 386 HB2 TRP 50 HB2 TRP 50 2.783 23.659 -45.596 387 HB3 TRP 50 HB3 TRP 50 1.031 23.482 -45.580 388 HD1 TRP 50 HD1 TRP 50 -0.028 24.197 -48.236 389 HE1 TRP 50 HE1 TRP 50 0.776 23.167 -50.454 390 HE3 TRP 50 HE3 TRP 50 4.566 22.530 -46.737 391 HZ2 TRP 50 HZ2 TRP 50 3.056 21.825 -51.437 392 HZ3 TRP 50 HZ3 TRP 50 5.997 21.382 -48.377 393 HH2 TRP 50 HH2 TRP 50 5.256 21.038 -50.678 394 H LYS 51 H LYS 51 0.153 26.864 -47.346 395 HA LYS 51 HA LYS 51 -1.944 27.163 -45.377 396 HB2 LYS 51 HB2 LYS 51 -1.251 28.369 -47.973 397 HB3 LYS 51 HB3 LYS 51 -2.976 28.204 -47.678 398 HG2 LYS 51 HG2 LYS 51 -2.713 30.221 -46.720 399 HG3 LYS 51 HG3 LYS 51 -2.219 29.254 -45.329 400 HD2 LYS 51 HD2 LYS 51 0.116 29.479 -46.738 401 HD3 LYS 51 HD3 LYS 51 -0.650 31.041 -47.035 402 HE2 LYS 51 HE2 LYS 51 -0.600 29.973 -44.255 403 HE3 LYS 51 HE3 LYS 51 0.885 30.642 -44.929 404 HZ1 LYS 51 HZ1 LYS 51 0.124 32.684 -44.617 405 HZ2 LYS 51 HZ2 LYS 51 -1.206 32.038 -43.797 406 HZ3 LYS 51 HZ3 LYS 51 -1.309 32.356 -45.455 407 H GLU 52 H GLU 52 -2.890 25.183 -45.051 408 HA GLU 52 HA GLU 52 -3.572 23.352 -47.076 409 HB2 GLU 52 HB2 GLU 52 -4.999 23.638 -44.434 410 HB3 GLU 52 HB3 GLU 52 -4.822 22.187 -45.410 411 HG2 GLU 52 HG2 GLU 52 -3.032 21.650 -44.237 412 HG3 GLU 52 HG3 GLU 52 -2.221 23.091 -44.850 413 H LYS 53 H LYS 53 -4.952 26.325 -46.213 414 HA LYS 53 HA LYS 53 -7.655 25.767 -46.968 415 HB2 LYS 53 HB2 LYS 53 -8.015 28.145 -46.772 416 HB3 LYS 53 HB3 LYS 53 -7.013 27.610 -45.429 417 HG2 LYS 53 HG2 LYS 53 -5.047 28.324 -46.992 418 HG3 LYS 53 HG3 LYS 53 -6.294 29.295 -47.778 419 HD2 LYS 53 HD2 LYS 53 -6.841 30.049 -45.339 420 HD3 LYS 53 HD3 LYS 53 -5.201 29.490 -45.002 421 HE2 LYS 53 HE2 LYS 53 -4.370 31.372 -45.835 422 HE3 LYS 53 HE3 LYS 53 -5.158 31.057 -47.380 423 HZ1 LYS 53 HZ1 LYS 53 -6.783 32.149 -45.204 424 HZ2 LYS 53 HZ2 LYS 53 -6.902 32.403 -46.872 425 HZ3 LYS 53 HZ3 LYS 53 -5.700 33.192 -45.981 426 H GLU 54 H GLU 54 -4.777 26.886 -48.613 427 HA GLU 54 HA GLU 54 -6.316 27.275 -51.084 428 HB2 GLU 54 HB2 GLU 54 -3.587 28.189 -50.205 429 HB3 GLU 54 HB3 GLU 54 -4.062 28.219 -51.897 430 HG2 GLU 54 HG2 GLU 54 -6.099 29.438 -50.296 431 HG3 GLU 54 HG3 GLU 54 -4.534 30.166 -49.942 432 H PHE 55 H PHE 55 -3.544 25.536 -49.748 433 HA PHE 55 HA PHE 55 -3.493 23.858 -52.165 434 HB2 PHE 55 HB2 PHE 55 -1.326 23.974 -50.073 435 HB3 PHE 55 HB3 PHE 55 -1.216 23.372 -51.724 436 HD1 PHE 55 HD2 PHE 55 -1.577 25.102 -53.607 437 HD2 PHE 55 HD1 PHE 55 -0.655 26.128 -49.581 438 HE1 PHE 55 HE2 PHE 55 -0.773 27.303 -54.356 439 HE2 PHE 55 HE1 PHE 55 0.150 28.331 -50.323 440 HZ PHE 55 HZ PHE 55 0.093 28.921 -52.714 441 HA PRO 56 HA PRO 56 -5.401 20.840 -49.452 442 HB2 PRO 56 HB2 PRO 56 -5.829 19.004 -51.405 443 HB3 PRO 56 HB3 PRO 56 -6.864 20.418 -51.172 444 HG2 PRO 56 HG2 PRO 56 -4.642 19.999 -53.134 445 HG3 PRO 56 HG3 PRO 56 -6.234 20.737 -53.388 446 HD2 PRO 56 HD2 PRO 56 -3.985 22.206 -53.047 447 HD3 PRO 56 HD3 PRO 56 -5.579 22.758 -52.495 448 H ASN 57 H ASN 57 -2.582 20.542 -51.440 449 HA ASN 57 HA ASN 57 -1.807 17.918 -50.976 450 HB2 ASN 57 HB2 ASN 57 -0.717 19.960 -52.338 451 HB3 ASN 57 HB3 ASN 57 0.324 19.987 -50.917 452 HD21 ASN 57 HD21 ASN 57 0.564 17.371 -50.287 453 HD22 ASN 57 HD22 ASN 57 1.351 16.515 -51.565 454 H ALA 58 H ALA 58 -1.242 20.807 -49.002 455 HA ALA 58 HA ALA 58 0.385 19.643 -47.049 456 HB1 ALA 58 HB1 ALA 58 0.415 21.745 -46.350 457 HB2 ALA 58 HB2 ALA 58 -0.901 22.136 -47.458 458 HB3 ALA 58 HB3 ALA 58 -1.260 21.601 -45.817 459 H LYS 59 H LYS 59 -3.140 19.887 -47.267 460 HA LYS 59 HA LYS 59 -3.722 18.811 -44.731 461 HB2 LYS 59 HB2 LYS 59 -5.292 20.037 -46.334 462 HB3 LYS 59 HB3 LYS 59 -5.466 18.499 -47.170 463 HG2 LYS 59 HG2 LYS 59 -5.889 18.020 -44.415 464 HG3 LYS 59 HG3 LYS 59 -6.832 19.442 -44.866 465 HD2 LYS 59 HD2 LYS 59 -8.284 17.680 -45.310 466 HD3 LYS 59 HD3 LYS 59 -7.578 18.024 -46.891 467 HE2 LYS 59 HE2 LYS 59 -6.073 16.173 -46.692 468 HE3 LYS 59 HE3 LYS 59 -6.542 15.907 -45.014 469 HZ1 LYS 59 HZ1 LYS 59 -8.487 14.927 -45.612 470 HZ2 LYS 59 HZ2 LYS 59 -7.560 14.496 -46.959 471 HZ3 LYS 59 HZ3 LYS 59 -8.635 15.798 -47.055 472 H GLU 60 H GLU 60 -3.414 17.286 -47.920 473 HA GLU 60 HA GLU 60 -4.108 14.682 -47.134 474 HB2 GLU 60 HB2 GLU 60 -3.104 15.974 -49.484 475 HB3 GLU 60 HB3 GLU 60 -2.169 14.513 -49.196 476 HG2 GLU 60 HG2 GLU 60 -5.145 14.400 -49.077 477 HG3 GLU 60 HG3 GLU 60 -4.331 14.434 -50.640 478 H LEU 61 H LEU 61 -0.989 16.346 -47.220 479 HA LEU 61 HA LEU 61 0.550 14.079 -46.460 480 HB2 LEU 61 HB2 LEU 61 1.212 17.003 -46.148 481 HB3 LEU 61 HB3 LEU 61 2.353 15.661 -46.088 482 HG LEU 61 HG LEU 61 0.747 16.047 -48.567 483 HD11 LEU 61 HD11 LEU 61 1.490 18.295 -48.111 484 HD12 LEU 61 HD12 LEU 61 2.453 17.611 -49.420 485 HD13 LEU 61 HD13 LEU 61 3.129 17.725 -47.795 486 HD21 LEU 61 HD21 LEU 61 2.140 14.132 -48.521 487 HD22 LEU 61 HD22 LEU 61 3.504 15.051 -47.884 488 HD23 LEU 61 HD23 LEU 61 2.956 15.318 -49.540 489 H CYS 62 H CYS 62 -1.071 16.648 -44.700 490 HA CYS 62 HA CYS 62 0.102 16.155 -42.175 491 HB2 CYS 62 HB2 CYS 62 -1.998 17.827 -43.261 492 HB3 CYS 62 HB3 CYS 62 -2.477 17.145 -41.710 493 H PHE 63 H PHE 63 -2.874 14.984 -43.702 494 HA PHE 63 HA PHE 63 -3.690 13.439 -41.444 495 HB2 PHE 63 HB2 PHE 63 -4.647 13.905 -44.193 496 HB3 PHE 63 HB3 PHE 63 -5.025 12.315 -43.538 497 HD1 PHE 63 HD1 PHE 63 -4.889 15.699 -41.978 498 HD2 PHE 63 HD2 PHE 63 -7.237 12.276 -42.921 499 HE1 PHE 63 HE1 PHE 63 -6.786 16.665 -40.744 500 HE2 PHE 63 HE2 PHE 63 -9.138 13.237 -41.689 501 HZ PHE 63 HZ PHE 63 -8.914 15.434 -40.600 502 H ALA 64 H ALA 64 -1.933 12.760 -44.424 503 HA ALA 64 HA ALA 64 -1.817 9.933 -44.005 504 HB1 ALA 64 HB1 ALA 64 -0.523 11.840 -45.906 505 HB2 ALA 64 HB2 ALA 64 0.071 10.184 -45.778 506 HB3 ALA 64 HB3 ALA 64 -1.605 10.487 -46.235 507 H ASN 65 H ASN 65 0.022 12.645 -42.918 508 HA ASN 65 HA ASN 65 2.526 11.592 -42.464 509 HB2 ASN 65 HB2 ASN 65 2.828 13.586 -41.495 510 HB3 ASN 65 HB3 ASN 65 1.100 13.883 -41.655 511 HD21 ASN 65 HD21 ASN 65 -0.267 13.415 -39.894 512 HD22 ASN 65 HD22 ASN 65 0.353 13.322 -38.284 513 H CYS 66 H CYS 66 3.373 10.096 -41.154 514 HA CYS 66 HA CYS 66 2.189 9.369 -38.651 515 HB2 CYS 66 HB2 CYS 66 1.596 7.796 -41.063 516 HB3 CYS 66 HB3 CYS 66 2.211 6.845 -39.715 517 HA PRO 67 HA PRO 67 6.326 8.179 -37.796 518 HB2 PRO 67 HB2 PRO 67 5.949 6.304 -35.870 519 HB3 PRO 67 HB3 PRO 67 5.702 8.032 -35.590 520 HG2 PRO 67 HG2 PRO 67 3.683 5.899 -36.168 521 HG3 PRO 67 HG3 PRO 67 3.608 7.220 -34.988 522 HD2 PRO 67 HD2 PRO 67 2.339 7.328 -37.378 523 HD3 PRO 67 HD3 PRO 67 2.990 8.772 -36.577 524 HA PRO 68 HA PRO 68 7.554 4.526 -39.914 525 HB2 PRO 68 HB2 PRO 68 9.601 3.584 -38.402 526 HB3 PRO 68 HB3 PRO 68 9.731 5.042 -39.391 527 HG2 PRO 68 HG2 PRO 68 9.223 4.786 -36.452 528 HG3 PRO 68 HG3 PRO 68 10.290 5.914 -37.309 529 HD2 PRO 68 HD2 PRO 68 7.839 6.627 -36.407 530 HD3 PRO 68 HD3 PRO 68 8.555 7.321 -37.875 531 H LEU 69 H LEU 69 8.270 2.114 -39.417 532 HA LEU 69 HA LEU 69 6.574 0.994 -37.301 533 HB2 LEU 69 HB2 LEU 69 6.049 -0.847 -39.055 534 HB3 LEU 69 HB3 LEU 69 5.128 0.656 -39.051 535 HG LEU 69 HG LEU 69 6.506 1.482 -40.916 536 HD11 LEU 69 HD11 LEU 69 7.724 -1.275 -40.857 537 HD12 LEU 69 HD12 LEU 69 8.544 0.231 -40.449 538 HD13 LEU 69 HD13 LEU 69 7.991 -0.051 -42.099 539 HD21 LEU 69 HD21 LEU 69 5.694 -1.028 -42.104 540 HD22 LEU 69 HD22 LEU 69 5.030 0.591 -42.324 541 HD23 LEU 69 HD23 LEU 69 4.480 -0.413 -40.983 542 H GLU 70 H GLU 70 9.486 1.371 -37.646 543 HA GLU 70 HA GLU 70 10.640 -1.183 -38.204 544 HB2 GLU 70 HB2 GLU 70 12.719 -0.215 -37.436 545 HB3 GLU 70 HB3 GLU 70 11.879 0.946 -38.456 546 HG2 GLU 70 HG2 GLU 70 10.958 1.850 -36.197 547 HG3 GLU 70 HG3 GLU 70 12.342 1.000 -35.512 Start of MODEL 3 1 H1 GLY 1 H GLY 1 3.783 -1.109 -1.233 2 HA2 GLY 1 HA2 GLY 1 1.298 -1.002 -0.438 3 HA3 GLY 1 HA3 GLY 1 1.664 0.714 -0.341 4 HA PRO 2 HA PRO 2 0.134 -0.475 -4.633 5 HB2 PRO 2 HB2 PRO 2 -2.106 1.058 -4.599 6 HB3 PRO 2 HB3 PRO 2 -2.079 -0.616 -4.031 7 HG2 PRO 2 HG2 PRO 2 -1.946 1.922 -2.450 8 HG3 PRO 2 HG3 PRO 2 -2.872 0.446 -2.121 9 HD2 PRO 2 HD2 PRO 2 -0.536 1.009 -0.872 10 HD3 PRO 2 HD3 PRO 2 -1.049 -0.651 -1.236 11 H GLU 3 H GLU 3 -0.779 1.340 -6.262 12 HA GLU 3 HA GLU 3 -0.274 3.193 -7.480 13 HB2 GLU 3 HB2 GLU 3 -0.918 4.134 -5.031 14 HB3 GLU 3 HB3 GLU 3 0.730 4.732 -5.160 15 HG2 GLU 3 HG2 GLU 3 0.230 6.169 -6.854 16 HG3 GLU 3 HG3 GLU 3 -1.095 5.174 -7.457 17 H LYS 4 H LYS 4 1.787 1.174 -6.814 18 HA LYS 4 HA LYS 4 4.160 2.833 -7.362 19 HB2 LYS 4 HB2 LYS 4 3.878 1.447 -5.079 20 HB3 LYS 4 HB3 LYS 4 4.543 0.175 -6.095 21 HG2 LYS 4 HG2 LYS 4 6.438 1.684 -6.644 22 HG3 LYS 4 HG3 LYS 4 5.794 2.843 -5.478 23 HD2 LYS 4 HD2 LYS 4 6.761 1.749 -3.800 24 HD3 LYS 4 HD3 LYS 4 5.953 0.251 -4.268 25 HE2 LYS 4 HE2 LYS 4 7.728 -0.422 -5.622 26 HE3 LYS 4 HE3 LYS 4 8.387 1.209 -5.730 27 HZ1 LYS 4 HZ1 LYS 4 8.519 0.733 -3.094 28 HZ2 LYS 4 HZ2 LYS 4 9.795 0.474 -4.173 29 HZ3 LYS 4 HZ3 LYS 4 8.802 -0.816 -3.713 30 H MET 5 H MET 5 2.506 1.866 -9.378 31 HA MET 5 HA MET 5 4.394 0.242 -10.843 32 HB2 MET 5 HB2 MET 5 2.805 -1.325 -9.561 33 HB3 MET 5 HB3 MET 5 1.566 -0.773 -10.680 34 HG2 MET 5 HG2 MET 5 2.232 -2.276 -12.149 35 HG3 MET 5 HG3 MET 5 3.812 -1.500 -12.221 36 HE1 MET 5 HE1 MET 5 5.210 -3.026 -12.700 37 HE2 MET 5 HE2 MET 5 5.974 -4.123 -11.550 38 HE3 MET 5 HE3 MET 5 4.685 -4.707 -12.603 39 H GLU 6 H GLU 6 4.469 0.907 -12.893 40 HA GLU 6 HA GLU 6 2.758 2.987 -13.805 41 HB2 GLU 6 HB2 GLU 6 5.255 2.301 -14.442 42 HB3 GLU 6 HB3 GLU 6 4.423 1.456 -15.740 43 HG2 GLU 6 HG2 GLU 6 3.326 3.589 -16.360 44 HG3 GLU 6 HG3 GLU 6 4.301 4.400 -15.136 45 H VAL 7 H VAL 7 0.689 2.579 -14.265 46 HA VAL 7 HA VAL 7 0.090 0.616 -16.330 47 HB VAL 7 HB VAL 7 -0.196 -0.605 -14.188 48 HG11 VAL 7 HG11 VAL 7 -0.992 1.597 -13.038 49 HG12 VAL 7 HG12 VAL 7 -2.587 1.081 -13.589 50 HG13 VAL 7 HG13 VAL 7 -1.645 0.044 -12.517 51 HG21 VAL 7 HG21 VAL 7 -1.980 -1.749 -14.984 52 HG22 VAL 7 HG22 VAL 7 -2.970 -0.300 -15.160 53 HG23 VAL 7 HG23 VAL 7 -1.752 -0.688 -16.375 54 H LYS 8 H LYS 8 -1.571 1.215 -17.630 55 HA LYS 8 HA LYS 8 -3.206 3.515 -16.802 56 HB2 LYS 8 HB2 LYS 8 -2.126 3.173 -19.597 57 HB3 LYS 8 HB3 LYS 8 -2.953 4.573 -18.926 58 HG2 LYS 8 HG2 LYS 8 -1.015 4.846 -17.359 59 HG3 LYS 8 HG3 LYS 8 -0.183 3.595 -18.285 60 HD2 LYS 8 HD2 LYS 8 0.024 4.930 -20.155 61 HD3 LYS 8 HD3 LYS 8 -1.353 5.942 -19.713 62 HE2 LYS 8 HE2 LYS 8 -0.024 6.891 -17.866 63 HE3 LYS 8 HE3 LYS 8 1.354 5.921 -18.382 64 HZ1 LYS 8 HZ1 LYS 8 1.639 8.064 -19.293 65 HZ2 LYS 8 HZ2 LYS 8 0.047 8.132 -19.858 66 HZ3 LYS 8 HZ3 LYS 8 1.154 7.076 -20.578 67 H GLU 9 H GLU 9 -4.801 3.785 -18.984 68 HA GLU 9 HA GLU 9 -5.996 1.133 -19.412 69 HB2 GLU 9 HB2 GLU 9 -7.172 3.467 -18.069 70 HB3 GLU 9 HB3 GLU 9 -8.189 2.771 -19.322 71 HG2 GLU 9 HG2 GLU 9 -7.955 0.566 -18.225 72 HG3 GLU 9 HG3 GLU 9 -7.054 1.348 -16.927 73 H ILE 10 H ILE 10 -7.962 1.519 -21.055 74 HA ILE 10 HA ILE 10 -8.520 1.900 -23.228 75 HB ILE 10 HB ILE 10 -7.016 4.501 -22.973 76 HG12 ILE 10 HG12 ILE 10 -8.552 4.215 -21.062 77 HG13 ILE 10 HG13 ILE 10 -9.090 5.493 -22.146 78 HG21 ILE 10 HG21 ILE 10 -7.699 4.725 -25.081 79 HG22 ILE 10 HG22 ILE 10 -8.737 3.304 -24.973 80 HG23 ILE 10 HG23 ILE 10 -9.334 4.875 -24.438 81 HD11 ILE 10 HD11 ILE 10 -10.587 3.367 -21.193 82 HD12 ILE 10 HD12 ILE 10 -11.029 4.480 -22.489 83 HD13 ILE 10 HD13 ILE 10 -10.240 2.950 -22.871 84 H GLY 11 H GLY 11 -6.663 0.149 -23.303 85 HA2 GLY 11 HA2 GLY 11 -4.532 1.157 -25.080 86 HA3 GLY 11 HA3 GLY 11 -4.387 -0.272 -24.067 87 H ARG 12 H ARG 12 -7.169 0.579 -26.057 88 HA ARG 12 HA ARG 12 -6.758 -1.915 -27.551 89 HB2 ARG 12 HB2 ARG 12 -9.241 -0.230 -27.185 90 HB3 ARG 12 HB3 ARG 12 -9.158 -1.699 -28.148 91 HG2 ARG 12 HG2 ARG 12 -8.789 -3.042 -26.237 92 HG3 ARG 12 HG3 ARG 12 -8.497 -1.630 -25.219 93 HD2 ARG 12 HD2 ARG 12 -10.861 -0.928 -25.686 94 HD3 ARG 12 HD3 ARG 12 -11.100 -2.490 -26.467 95 HE ARG 12 HE ARG 12 -10.119 -3.101 -23.992 96 HH11 ARG 12 HH11 ARG 12 -12.830 -1.277 -25.193 97 HH12 ARG 12 HH12 ARG 12 -13.833 -1.616 -23.821 98 HH21 ARG 12 HH21 ARG 12 -11.429 -3.555 -22.181 99 HH22 ARG 12 HH22 ARG 12 -13.034 -2.911 -22.109 100 H SER 13 H SER 13 -5.097 0.021 -28.397 101 HA SER 13 HA SER 13 -5.987 0.449 -31.103 102 HB2 SER 13 HB2 SER 13 -6.943 2.441 -30.155 103 HB3 SER 13 HB3 SER 13 -5.459 2.798 -29.273 104 HG SER 13 HG SER 13 -6.096 3.678 -31.626 105 H SER 14 H SER 14 -4.269 1.145 -32.515 106 HA SER 14 HA SER 14 -1.639 0.395 -31.457 107 HB2 SER 14 HB2 SER 14 -1.828 0.787 -34.350 108 HB3 SER 14 HB3 SER 14 -1.241 -0.604 -33.438 109 HG SER 14 HG SER 14 -3.030 -1.401 -34.308 110 H LYS 15 H LYS 15 -2.694 2.985 -30.893 111 HA LYS 15 HA LYS 15 -1.652 4.946 -32.657 112 HB2 LYS 15 HB2 LYS 15 -2.237 6.533 -31.014 113 HB3 LYS 15 HB3 LYS 15 -3.438 5.256 -30.865 114 HG2 LYS 15 HG2 LYS 15 -0.989 5.295 -29.141 115 HG3 LYS 15 HG3 LYS 15 -2.427 6.229 -28.725 116 HD2 LYS 15 HD2 LYS 15 -3.125 4.366 -27.697 117 HD3 LYS 15 HD3 LYS 15 -3.471 3.764 -29.320 118 HE2 LYS 15 HE2 LYS 15 -1.694 2.358 -29.322 119 HE3 LYS 15 HE3 LYS 15 -0.691 3.453 -28.372 120 HZ1 LYS 15 HZ1 LYS 15 -2.858 1.705 -27.340 121 HZ2 LYS 15 HZ2 LYS 15 -2.000 2.823 -26.406 122 HZ3 LYS 15 HZ3 LYS 15 -1.197 1.502 -27.093 123 H ILE 16 H ILE 16 0.241 6.123 -32.584 124 HA ILE 16 HA ILE 16 2.178 5.869 -30.522 125 HB ILE 16 HB ILE 16 3.845 4.876 -32.410 126 HG12 ILE 16 HG12 ILE 16 1.310 3.261 -32.710 127 HG13 ILE 16 HG13 ILE 16 1.833 4.461 -33.886 128 HG21 ILE 16 HG21 ILE 16 2.633 3.986 -29.977 129 HG22 ILE 16 HG22 ILE 16 2.841 2.618 -31.068 130 HG23 ILE 16 HG23 ILE 16 4.229 3.612 -30.628 131 HD11 ILE 16 HD11 ILE 16 2.807 2.709 -34.873 132 HD12 ILE 16 HD12 ILE 16 4.066 2.952 -33.662 133 HD13 ILE 16 HD13 ILE 16 2.808 1.745 -33.396 134 H ILE 17 H ILE 17 4.326 6.853 -31.238 135 HA ILE 17 HA ILE 17 3.772 9.033 -33.142 136 HB ILE 17 HB ILE 17 5.428 10.370 -31.900 137 HG12 ILE 17 HG12 ILE 17 6.476 8.129 -30.969 138 HG13 ILE 17 HG13 ILE 17 6.578 9.625 -30.048 139 HG21 ILE 17 HG21 ILE 17 3.154 10.730 -31.330 140 HG22 ILE 17 HG22 ILE 17 3.100 9.267 -30.347 141 HG23 ILE 17 HG23 ILE 17 4.050 10.654 -29.814 142 HD11 ILE 17 HD11 ILE 17 5.830 7.378 -28.928 143 HD12 ILE 17 HD12 ILE 17 5.094 8.914 -28.471 144 HD13 ILE 17 HD13 ILE 17 4.258 7.832 -29.584 145 H LEU 18 H LEU 18 5.731 9.941 -34.209 146 HA LEU 18 HA LEU 18 7.845 7.949 -34.625 147 HB2 LEU 18 HB2 LEU 18 6.265 7.635 -36.427 148 HB3 LEU 18 HB3 LEU 18 6.288 9.361 -36.786 149 HG LEU 18 HG LEU 18 7.613 7.694 -38.283 150 HD11 LEU 18 HD11 LEU 18 9.268 10.012 -37.433 151 HD12 LEU 18 HD12 LEU 18 7.650 10.319 -38.061 152 HD13 LEU 18 HD13 LEU 18 8.832 9.463 -39.051 153 HD21 LEU 18 HD21 LEU 18 9.861 8.247 -36.422 154 HD22 LEU 18 HD22 LEU 18 9.645 6.934 -37.581 155 HD23 LEU 18 HD23 LEU 18 8.781 6.905 -36.043 156 HA PRO 19 HA PRO 19 10.045 11.799 -33.861 157 HB2 PRO 19 HB2 PRO 19 12.454 10.607 -33.481 158 HB3 PRO 19 HB3 PRO 19 11.207 10.672 -32.231 159 HG2 PRO 19 HG2 PRO 19 11.908 8.435 -34.093 160 HG3 PRO 19 HG3 PRO 19 11.531 8.373 -32.361 161 HD2 PRO 19 HD2 PRO 19 9.720 7.734 -34.270 162 HD3 PRO 19 HD3 PRO 19 9.257 8.474 -32.724 163 H ALA 20 H ALA 20 11.435 13.054 -35.081 164 HA ALA 20 HA ALA 20 13.148 12.140 -37.099 165 HB1 ALA 20 HB1 ALA 20 10.387 12.890 -38.019 166 HB2 ALA 20 HB2 ALA 20 11.793 12.963 -39.081 167 HB3 ALA 20 HB3 ALA 20 11.301 11.424 -38.374 168 H CYS 21 H CYS 21 10.816 14.799 -37.379 169 HA CYS 21 HA CYS 21 13.039 16.685 -36.945 170 HB2 CYS 21 HB2 CYS 21 12.169 18.128 -38.631 171 HB3 CYS 21 HB3 CYS 21 12.215 16.512 -39.329 172 H MET 22 H MET 22 9.748 15.827 -36.285 173 HA MET 22 HA MET 22 9.666 17.795 -34.148 174 HB2 MET 22 HB2 MET 22 8.378 18.302 -36.595 175 HB3 MET 22 HB3 MET 22 7.107 17.822 -35.478 176 HG2 MET 22 HG2 MET 22 8.448 19.544 -33.922 177 HG3 MET 22 HG3 MET 22 8.802 20.230 -35.505 178 HE1 MET 22 HE1 MET 22 5.805 22.049 -33.410 179 HE2 MET 22 HE2 MET 22 6.142 20.508 -32.621 180 HE3 MET 22 HE3 MET 22 7.473 21.543 -33.139 181 H HIS 23 H HIS 23 7.077 17.527 -33.338 182 HA HIS 23 HA HIS 23 7.025 14.725 -32.499 183 HB2 HIS 23 HB2 HIS 23 5.682 17.204 -31.419 184 HB3 HIS 23 HB3 HIS 23 5.323 15.585 -30.826 185 HD1 HIS 23 HD1 HIS 23 6.243 16.178 -28.481 186 HD2 HIS 23 HD2 HIS 23 9.041 16.486 -31.537 187 HE1 HIS 23 HE1 HIS 23 8.473 16.365 -27.334 188 H GLU 24 H GLU 24 5.873 13.436 -33.785 189 HA GLU 24 HA GLU 24 3.231 14.384 -34.683 190 HB2 GLU 24 HB2 GLU 24 3.536 12.857 -36.656 191 HB3 GLU 24 HB3 GLU 24 4.601 14.255 -36.631 192 HG2 GLU 24 HG2 GLU 24 5.974 12.207 -35.296 193 HG3 GLU 24 HG3 GLU 24 5.259 11.473 -36.731 194 H THR 25 H THR 25 1.702 12.571 -35.163 195 HA THR 25 HA THR 25 2.198 10.098 -33.717 196 HB THR 25 HB THR 25 -0.285 11.638 -33.006 197 HG1 THR 25 HG1 THR 25 0.811 12.416 -31.187 198 HG21 THR 25 HG21 THR 25 -0.420 9.337 -32.445 199 HG22 THR 25 HG22 THR 25 -0.049 10.184 -30.944 200 HG23 THR 25 HG23 THR 25 1.223 9.322 -31.808 201 H CYS 26 H CYS 26 0.417 8.526 -34.009 202 HA CYS 26 HA CYS 26 -1.495 9.050 -36.110 203 HB2 CYS 26 HB2 CYS 26 0.765 8.436 -37.198 204 HB3 CYS 26 HB3 CYS 26 0.456 6.811 -36.596 205 H SER 27 H SER 27 -3.174 7.570 -36.162 206 HA SER 27 HA SER 27 -3.086 5.078 -34.777 207 HB2 SER 27 HB2 SER 27 -3.221 6.706 -32.869 208 HB3 SER 27 HB3 SER 27 -4.778 7.239 -33.503 209 HG SER 27 HG SER 27 -4.181 4.556 -32.802 210 H GLY 28 H GLY 28 -4.370 3.813 -35.936 211 HA2 GLY 28 HA2 GLY 28 -6.949 4.877 -36.863 212 HA3 GLY 28 HA3 GLY 28 -5.862 4.136 -38.029 213 H GLY 29 H GLY 29 -7.946 3.571 -35.273 214 HA2 GLY 29 HA2 GLY 29 -8.700 1.004 -36.170 215 HA3 GLY 29 HA3 GLY 29 -7.500 0.837 -34.897 216 H PHE 30 H PHE 30 -8.360 3.201 -33.449 217 HA PHE 30 HA PHE 30 -11.120 2.751 -32.728 218 HB2 PHE 30 HB2 PHE 30 -10.069 0.968 -31.457 219 HB3 PHE 30 HB3 PHE 30 -8.889 2.094 -30.794 220 HD1 PHE 30 HD1 PHE 30 -9.527 3.701 -29.083 221 HD2 PHE 30 HD2 PHE 30 -12.315 0.875 -30.616 222 HE1 PHE 30 HE1 PHE 30 -11.020 4.147 -27.179 223 HE2 PHE 30 HE2 PHE 30 -13.814 1.317 -28.716 224 HZ PHE 30 HZ PHE 30 -13.168 2.956 -26.994 225 H SER 31 H SER 31 -8.041 4.294 -31.932 226 HA SER 31 HA SER 31 -9.292 6.466 -30.519 227 HB2 SER 31 HB2 SER 31 -6.504 5.705 -31.248 228 HB3 SER 31 HB3 SER 31 -6.823 7.403 -30.895 229 HG SER 31 HG SER 31 -6.564 5.350 -29.191 230 H LEU 32 H LEU 32 -7.934 5.940 -33.729 231 HA LEU 32 HA LEU 32 -7.933 7.199 -35.627 232 HB2 LEU 32 HB2 LEU 32 -10.284 6.773 -35.552 233 HB3 LEU 32 HB3 LEU 32 -10.531 8.059 -34.373 234 HG LEU 32 HG LEU 32 -10.070 9.739 -36.042 235 HD11 LEU 32 HD11 LEU 32 -8.573 9.134 -37.598 236 HD12 LEU 32 HD12 LEU 32 -9.987 8.568 -38.486 237 HD13 LEU 32 HD13 LEU 32 -9.035 7.433 -37.530 238 HD21 LEU 32 HD21 LEU 32 -11.984 9.434 -37.460 239 HD22 LEU 32 HD22 LEU 32 -12.357 8.787 -35.862 240 HD23 LEU 32 HD23 LEU 32 -11.963 7.692 -37.187 241 H LYS 33 H LYS 33 -6.117 8.464 -35.165 242 HA LYS 33 HA LYS 33 -6.547 11.257 -35.173 243 HB2 LYS 33 HB2 LYS 33 -5.472 11.830 -33.033 244 HB3 LYS 33 HB3 LYS 33 -6.977 10.952 -32.796 245 HG2 LYS 33 HG2 LYS 33 -5.669 8.883 -32.447 246 HG3 LYS 33 HG3 LYS 33 -4.189 9.838 -32.571 247 HD2 LYS 33 HD2 LYS 33 -6.216 10.807 -30.652 248 HD3 LYS 33 HD3 LYS 33 -5.413 9.291 -30.240 249 HE2 LYS 33 HE2 LYS 33 -3.244 10.606 -30.847 250 HE3 LYS 33 HE3 LYS 33 -4.255 12.025 -30.579 251 HZ1 LYS 33 HZ1 LYS 33 -4.797 11.062 -28.363 252 HZ2 LYS 33 HZ2 LYS 33 -3.177 11.511 -28.547 253 HZ3 LYS 33 HZ3 LYS 33 -3.618 9.880 -28.633 254 H ASN 34 H ASN 34 -4.461 12.478 -35.123 255 HA ASN 34 HA ASN 34 -1.982 11.110 -35.290 256 HB2 ASN 34 HB2 ASN 34 -1.745 11.850 -37.827 257 HB3 ASN 34 HB3 ASN 34 -2.407 10.277 -37.391 258 HD21 ASN 34 HD21 ASN 34 -3.691 13.585 -37.531 259 HD22 ASN 34 HD22 ASN 34 -5.065 13.190 -38.501 260 H ASP 35 H ASP 35 -0.344 12.519 -35.023 261 HA ASP 35 HA ASP 35 -1.022 15.370 -35.037 262 HB2 ASP 35 HB2 ASP 35 0.703 13.664 -33.405 263 HB3 ASP 35 HB3 ASP 35 1.496 15.150 -33.920 264 H CYS 36 H CYS 36 -0.368 16.600 -36.661 265 HA CYS 36 HA CYS 36 1.129 15.735 -38.828 266 HB2 CYS 36 HB2 CYS 36 -0.217 18.076 -38.103 267 HB3 CYS 36 HB3 CYS 36 1.441 18.587 -38.405 268 H TRP 37 H TRP 37 3.182 17.077 -39.543 269 HA TRP 37 HA TRP 37 5.148 16.812 -37.364 270 HB2 TRP 37 HB2 TRP 37 6.782 16.506 -39.347 271 HB3 TRP 37 HB3 TRP 37 5.725 15.164 -38.920 272 HD1 TRP 37 HD1 TRP 37 3.568 14.760 -40.565 273 HE1 TRP 37 HE1 TRP 37 3.300 15.234 -43.081 274 HE3 TRP 37 HE3 TRP 37 7.444 18.034 -41.192 275 HZ2 TRP 37 HZ2 TRP 37 4.564 16.789 -45.068 276 HZ3 TRP 37 HZ3 TRP 37 7.847 18.969 -43.432 277 HH2 TRP 37 HH2 TRP 37 6.436 18.358 -45.329 278 H CYS 38 H CYS 38 7.290 18.058 -38.182 279 HA CYS 38 HA CYS 38 6.846 20.750 -37.792 280 HB2 CYS 38 HB2 CYS 38 9.149 21.052 -38.839 281 HB3 CYS 38 HB3 CYS 38 9.049 19.941 -37.477 282 H CYS 39 H CYS 39 5.436 21.873 -39.004 283 HA CYS 39 HA CYS 39 5.353 21.570 -41.881 284 HB2 CYS 39 HB2 CYS 39 3.527 23.240 -41.761 285 HB3 CYS 39 HB3 CYS 39 3.255 21.866 -40.694 286 H LEU 40 H LEU 40 6.144 22.953 -43.377 287 HA LEU 40 HA LEU 40 7.508 24.539 -44.275 288 HB2 LEU 40 HB2 LEU 40 5.638 25.848 -42.543 289 HB3 LEU 40 HB3 LEU 40 7.170 26.719 -42.524 290 HG LEU 40 HG LEU 40 5.711 27.692 -44.172 291 HD11 LEU 40 HD11 LEU 40 7.851 26.055 -45.524 292 HD12 LEU 40 HD12 LEU 40 8.111 27.579 -44.678 293 HD13 LEU 40 HD13 LEU 40 7.120 27.539 -46.136 294 HD21 LEU 40 HD21 LEU 40 4.698 25.184 -44.505 295 HD22 LEU 40 HD22 LEU 40 5.653 25.384 -45.975 296 HD23 LEU 40 HD23 LEU 40 4.390 26.550 -45.577 297 H ARG 41 H ARG 41 9.121 26.468 -43.444 298 HA ARG 41 HA ARG 41 11.000 25.059 -41.692 299 HB2 ARG 41 HB2 ARG 41 12.729 26.133 -42.789 300 HB3 ARG 41 HB3 ARG 41 11.547 25.967 -44.080 301 HG2 ARG 41 HG2 ARG 41 11.902 28.445 -42.409 302 HG3 ARG 41 HG3 ARG 41 12.636 28.188 -43.993 303 HD2 ARG 41 HD2 ARG 41 10.109 27.645 -44.628 304 HD3 ARG 41 HD3 ARG 41 9.811 28.719 -43.262 305 HE ARG 41 HE ARG 41 11.684 29.758 -45.184 306 HH11 ARG 41 HH11 ARG 41 8.327 29.476 -44.304 307 HH12 ARG 41 HH12 ARG 41 7.842 30.884 -45.188 308 HH21 ARG 41 HH21 ARG 41 11.057 31.614 -46.352 309 HH22 ARG 41 HH22 ARG 41 9.395 32.099 -46.354 310 H LEU 42 H LEU 42 11.970 26.051 -39.923 311 HA LEU 42 HA LEU 42 10.901 28.662 -39.110 312 HB2 LEU 42 HB2 LEU 42 10.789 27.727 -36.758 313 HB3 LEU 42 HB3 LEU 42 9.535 27.211 -37.883 314 HG LEU 42 HG LEU 42 11.863 25.420 -37.705 315 HD11 LEU 42 HD11 LEU 42 11.560 26.221 -35.351 316 HD12 LEU 42 HD12 LEU 42 11.327 24.489 -35.585 317 HD13 LEU 42 HD13 LEU 42 9.930 25.549 -35.401 318 HD21 LEU 42 HD21 LEU 42 8.879 25.201 -37.857 319 HD22 LEU 42 HD22 LEU 42 9.872 23.801 -37.448 320 HD23 LEU 42 HD23 LEU 42 10.099 24.623 -38.992 321 H LYS 43 H LYS 43 12.110 29.159 -36.832 322 HA LYS 43 HA LYS 43 14.942 28.468 -37.077 323 HB2 LYS 43 HB2 LYS 43 14.056 31.333 -36.755 324 HB3 LYS 43 HB3 LYS 43 15.685 30.735 -37.039 325 HG2 LYS 43 HG2 LYS 43 15.188 31.430 -39.137 326 HG3 LYS 43 HG3 LYS 43 14.552 29.786 -39.238 327 HD2 LYS 43 HD2 LYS 43 12.685 30.816 -39.966 328 HD3 LYS 43 HD3 LYS 43 12.402 31.104 -38.247 329 HE2 LYS 43 HE2 LYS 43 12.099 33.175 -39.399 330 HE3 LYS 43 HE3 LYS 43 13.607 33.277 -38.492 331 HZ1 LYS 43 HZ1 LYS 43 14.353 32.301 -40.927 332 HZ2 LYS 43 HZ2 LYS 43 14.523 33.900 -40.403 333 HZ3 LYS 43 HZ3 LYS 43 13.170 33.448 -41.312 334 H THR 44 H THR 44 12.452 30.169 -35.212 335 HA THR 44 HA THR 44 13.951 29.552 -32.755 336 HB THR 44 HB THR 44 13.505 31.938 -33.052 337 HG1 THR 44 HG1 THR 44 13.232 30.712 -30.922 338 HG21 THR 44 HG21 THR 44 10.670 30.995 -33.331 339 HG22 THR 44 HG22 THR 44 11.581 32.095 -34.366 340 HG23 THR 44 HG23 THR 44 11.034 32.629 -32.777 341 H LYS 45 H LYS 45 12.552 27.473 -33.918 342 HA LYS 45 HA LYS 45 11.196 25.765 -33.238 343 HB2 LYS 45 HB2 LYS 45 10.854 25.610 -31.031 344 HB3 LYS 45 HB3 LYS 45 11.594 27.200 -30.897 345 HG2 LYS 45 HG2 LYS 45 9.264 28.145 -31.267 346 HG3 LYS 45 HG3 LYS 45 8.677 26.504 -30.988 347 HD2 LYS 45 HD2 LYS 45 10.588 27.371 -28.972 348 HD3 LYS 45 HD3 LYS 45 9.167 28.414 -29.054 349 HE2 LYS 45 HE2 LYS 45 8.727 25.479 -29.091 350 HE3 LYS 45 HE3 LYS 45 9.236 26.208 -27.568 351 HZ1 LYS 45 HZ1 LYS 45 6.774 26.047 -27.937 352 HZ2 LYS 45 HZ2 LYS 45 6.940 27.223 -29.141 353 HZ3 LYS 45 HZ3 LYS 45 7.345 27.590 -27.540 354 H GLN 46 H GLN 46 10.269 28.721 -34.291 355 HA GLN 46 HA GLN 46 7.818 27.790 -35.363 356 HB2 GLN 46 HB2 GLN 46 6.212 29.002 -34.164 357 HB3 GLN 46 HB3 GLN 46 7.252 28.327 -32.916 358 HG2 GLN 46 HG2 GLN 46 8.434 30.470 -32.760 359 HG3 GLN 46 HG3 GLN 46 7.352 31.141 -33.979 360 HE21 GLN 46 HE21 GLN 46 6.789 29.073 -31.156 361 HE22 GLN 46 HE22 GLN 46 5.638 30.119 -30.403 362 H ALA 47 H ALA 47 6.943 29.205 -36.910 363 HA ALA 47 HA ALA 47 7.661 31.882 -37.274 364 HB1 ALA 47 HB1 ALA 47 9.746 31.756 -38.036 365 HB2 ALA 47 HB2 ALA 47 9.675 29.996 -38.133 366 HB3 ALA 47 HB3 ALA 47 9.093 30.978 -39.478 367 H ARG 48 H ARG 48 7.727 29.325 -39.738 368 HA ARG 48 HA ARG 48 5.154 30.351 -40.746 369 HB2 ARG 48 HB2 ARG 48 7.446 29.252 -42.384 370 HB3 ARG 48 HB3 ARG 48 5.917 29.851 -43.013 371 HG2 ARG 48 HG2 ARG 48 7.188 31.831 -41.351 372 HG3 ARG 48 HG3 ARG 48 8.267 31.290 -42.638 373 HD2 ARG 48 HD2 ARG 48 6.185 31.605 -44.158 374 HD3 ARG 48 HD3 ARG 48 5.589 32.609 -42.837 375 HE ARG 48 HE ARG 48 8.060 33.600 -43.281 376 HH11 ARG 48 HH11 ARG 48 5.361 32.923 -45.373 377 HH12 ARG 48 HH12 ARG 48 5.745 34.187 -46.494 378 HH21 ARG 48 HH21 ARG 48 8.576 35.267 -44.749 379 HH22 ARG 48 HH22 ARG 48 7.575 35.519 -46.138 380 H CYS 49 H CYS 49 3.671 28.864 -41.540 381 HA CYS 49 HA CYS 49 4.324 26.026 -41.104 382 HB2 CYS 49 HB2 CYS 49 2.651 27.439 -39.479 383 HB3 CYS 49 HB3 CYS 49 1.515 26.805 -40.666 384 H TRP 50 H TRP 50 2.300 24.701 -42.050 385 HA TRP 50 HA TRP 50 2.152 25.524 -44.854 386 HB2 TRP 50 HB2 TRP 50 2.824 23.130 -43.810 387 HB3 TRP 50 HB3 TRP 50 1.092 22.885 -44.019 388 HD1 TRP 50 HD1 TRP 50 0.301 23.795 -46.702 389 HE1 TRP 50 HE1 TRP 50 1.407 23.025 -48.895 390 HE3 TRP 50 HE3 TRP 50 4.791 22.214 -44.836 391 HZ2 TRP 50 HZ2 TRP 50 3.858 21.897 -49.724 392 HZ3 TRP 50 HZ3 TRP 50 6.461 21.302 -46.396 393 HH2 TRP 50 HH2 TRP 50 6.002 21.147 -48.789 394 H LYS 51 H LYS 51 0.367 26.417 -45.629 395 HA LYS 51 HA LYS 51 -2.045 26.496 -44.049 396 HB2 LYS 51 HB2 LYS 51 -1.510 27.596 -46.815 397 HB3 LYS 51 HB3 LYS 51 -2.895 27.978 -45.800 398 HG2 LYS 51 HG2 LYS 51 -1.492 29.088 -44.202 399 HG3 LYS 51 HG3 LYS 51 -0.038 28.576 -45.063 400 HD2 LYS 51 HD2 LYS 51 -1.262 29.827 -47.067 401 HD3 LYS 51 HD3 LYS 51 -1.993 30.710 -45.724 402 HE2 LYS 51 HE2 LYS 51 0.873 30.372 -45.400 403 HE3 LYS 51 HE3 LYS 51 0.465 31.220 -46.891 404 HZ1 LYS 51 HZ1 LYS 51 0.643 32.353 -44.439 405 HZ2 LYS 51 HZ2 LYS 51 -1.025 32.136 -44.611 406 HZ3 LYS 51 HZ3 LYS 51 -0.164 33.023 -45.766 407 H GLU 52 H GLU 52 -2.896 24.434 -44.008 408 HA GLU 52 HA GLU 52 -3.183 22.753 -46.246 409 HB2 GLU 52 HB2 GLU 52 -5.006 22.743 -43.845 410 HB3 GLU 52 HB3 GLU 52 -4.563 21.387 -44.874 411 HG2 GLU 52 HG2 GLU 52 -2.988 20.876 -43.413 412 HG3 GLU 52 HG3 GLU 52 -2.152 22.360 -43.867 413 H LYS 53 H LYS 53 -4.832 25.580 -45.366 414 HA LYS 53 HA LYS 53 -7.365 24.974 -46.551 415 HB2 LYS 53 HB2 LYS 53 -7.805 27.383 -46.312 416 HB3 LYS 53 HB3 LYS 53 -7.183 26.682 -44.824 417 HG2 LYS 53 HG2 LYS 53 -4.982 27.590 -45.286 418 HG3 LYS 53 HG3 LYS 53 -5.558 28.245 -46.821 419 HD2 LYS 53 HD2 LYS 53 -7.353 29.191 -44.904 420 HD3 LYS 53 HD3 LYS 53 -5.761 29.344 -44.158 421 HE2 LYS 53 HE2 LYS 53 -5.623 31.270 -45.292 422 HE3 LYS 53 HE3 LYS 53 -5.297 30.252 -46.693 423 HZ1 LYS 53 HZ1 LYS 53 -7.370 30.571 -47.527 424 HZ2 LYS 53 HZ2 LYS 53 -7.208 32.038 -46.700 425 HZ3 LYS 53 HZ3 LYS 53 -8.092 30.772 -46.010 426 H GLU 54 H GLU 54 -4.347 26.348 -47.664 427 HA GLU 54 HA GLU 54 -5.536 26.880 -50.295 428 HB2 GLU 54 HB2 GLU 54 -2.971 27.801 -49.005 429 HB3 GLU 54 HB3 GLU 54 -3.299 28.024 -50.717 430 HG2 GLU 54 HG2 GLU 54 -5.558 28.980 -49.356 431 HG3 GLU 54 HG3 GLU 54 -4.154 29.595 -48.487 432 H PHE 55 H PHE 55 -2.892 25.154 -48.707 433 HA PHE 55 HA PHE 55 -2.405 23.691 -51.214 434 HB2 PHE 55 HB2 PHE 55 -0.565 23.698 -48.830 435 HB3 PHE 55 HB3 PHE 55 -0.191 23.284 -50.499 436 HD1 PHE 55 HD2 PHE 55 -0.395 25.193 -52.231 437 HD2 PHE 55 HD1 PHE 55 -0.088 25.811 -48.030 438 HE1 PHE 55 HE2 PHE 55 0.376 27.495 -52.629 439 HE2 PHE 55 HE1 PHE 55 0.682 28.114 -48.422 440 HZ PHE 55 HZ PHE 55 0.916 28.959 -50.724 441 HA PRO 56 HA PRO 56 -4.515 20.376 -49.051 442 HB2 PRO 56 HB2 PRO 56 -4.566 18.698 -51.185 443 HB3 PRO 56 HB3 PRO 56 -5.697 20.043 -50.993 444 HG2 PRO 56 HG2 PRO 56 -3.202 19.887 -52.640 445 HG3 PRO 56 HG3 PRO 56 -4.779 20.577 -53.062 446 HD2 PRO 56 HD2 PRO 56 -2.682 22.103 -52.285 447 HD3 PRO 56 HD3 PRO 56 -4.365 22.540 -51.927 448 H ASN 57 H ASN 57 -1.424 20.388 -50.596 449 HA ASN 57 HA ASN 57 -0.574 17.768 -50.263 450 HB2 ASN 57 HB2 ASN 57 0.589 20.000 -51.220 451 HB3 ASN 57 HB3 ASN 57 1.404 19.897 -49.662 452 HD21 ASN 57 HD21 ASN 57 1.586 17.175 -49.344 453 HD22 ASN 57 HD22 ASN 57 2.636 16.526 -50.553 454 H ALA 58 H ALA 58 -0.489 20.460 -47.958 455 HA ALA 58 HA ALA 58 0.887 19.190 -45.890 456 HB1 ALA 58 HB1 ALA 58 -1.065 20.888 -44.737 457 HB2 ALA 58 HB2 ALA 58 0.647 21.211 -45.012 458 HB3 ALA 58 HB3 ALA 58 -0.538 21.623 -46.252 459 H LYS 59 H LYS 59 -2.579 19.258 -46.622 460 HA LYS 59 HA LYS 59 -3.443 17.858 -44.338 461 HB2 LYS 59 HB2 LYS 59 -4.869 19.173 -45.973 462 HB3 LYS 59 HB3 LYS 59 -4.769 17.784 -47.048 463 HG2 LYS 59 HG2 LYS 59 -5.574 16.653 -44.684 464 HG3 LYS 59 HG3 LYS 59 -6.410 18.207 -44.680 465 HD2 LYS 59 HD2 LYS 59 -7.942 17.057 -45.884 466 HD3 LYS 59 HD3 LYS 59 -6.859 17.453 -47.221 467 HE2 LYS 59 HE2 LYS 59 -5.695 15.272 -46.795 468 HE3 LYS 59 HE3 LYS 59 -6.979 14.884 -45.650 469 HZ1 LYS 59 HZ1 LYS 59 -7.053 14.240 -48.232 470 HZ2 LYS 59 HZ2 LYS 59 -7.857 15.726 -48.283 471 HZ3 LYS 59 HZ3 LYS 59 -8.439 14.484 -47.293 472 H GLU 60 H GLU 60 -2.565 16.740 -47.589 473 HA GLU 60 HA GLU 60 -3.184 14.033 -47.231 474 HB2 GLU 60 HB2 GLU 60 -1.338 15.527 -49.054 475 HB3 GLU 60 HB3 GLU 60 -1.281 13.770 -49.017 476 HG2 GLU 60 HG2 GLU 60 -3.919 14.112 -49.284 477 HG3 GLU 60 HG3 GLU 60 -3.353 15.582 -50.076 478 H LEU 61 H LEU 61 -0.204 15.831 -46.594 479 HA LEU 61 HA LEU 61 1.337 13.571 -45.837 480 HB2 LEU 61 HB2 LEU 61 1.729 16.441 -45.009 481 HB3 LEU 61 HB3 LEU 61 2.940 15.161 -44.991 482 HG LEU 61 HG LEU 61 1.704 15.804 -47.606 483 HD11 LEU 61 HD11 LEU 61 2.301 17.935 -47.698 484 HD12 LEU 61 HD12 LEU 61 3.946 17.527 -47.212 485 HD13 LEU 61 HD13 LEU 61 2.724 17.871 -45.987 486 HD21 LEU 61 HD21 LEU 61 4.559 15.313 -46.771 487 HD22 LEU 61 HD22 LEU 61 3.912 15.306 -48.412 488 HD23 LEU 61 HD23 LEU 61 3.431 14.051 -47.269 489 H CYS 62 H CYS 62 -0.730 15.810 -44.084 490 HA CYS 62 HA CYS 62 0.017 15.017 -41.475 491 HB2 CYS 62 HB2 CYS 62 -2.268 16.510 -42.677 492 HB3 CYS 62 HB3 CYS 62 -2.451 15.904 -41.034 493 H PHE 63 H PHE 63 -2.491 13.903 -43.699 494 HA PHE 63 HA PHE 63 -3.661 12.075 -41.842 495 HB2 PHE 63 HB2 PHE 63 -4.314 13.085 -44.381 496 HB3 PHE 63 HB3 PHE 63 -4.130 11.347 -44.597 497 HD1 PHE 63 HD2 PHE 63 -5.931 13.942 -42.684 498 HD2 PHE 63 HD1 PHE 63 -5.757 9.841 -43.810 499 HE1 PHE 63 HE2 PHE 63 -8.181 13.594 -41.751 500 HE2 PHE 63 HE1 PHE 63 -8.007 9.487 -42.881 501 HZ PHE 63 HZ PHE 63 -9.222 11.364 -41.848 502 H ALA 64 H ALA 64 -1.282 11.818 -44.435 503 HA ALA 64 HA ALA 64 -1.044 8.968 -44.238 504 HB1 ALA 64 HB1 ALA 64 0.851 9.233 -45.765 505 HB2 ALA 64 HB2 ALA 64 -0.568 10.114 -46.331 506 HB3 ALA 64 HB3 ALA 64 0.763 10.983 -45.567 507 H ASN 65 H ASN 65 0.308 11.660 -42.579 508 HA ASN 65 HA ASN 65 2.785 10.773 -41.768 509 HB2 ASN 65 HB2 ASN 65 2.278 12.935 -41.080 510 HB3 ASN 65 HB3 ASN 65 0.697 12.476 -40.455 511 HD21 ASN 65 HD21 ASN 65 0.495 12.106 -38.352 512 HD22 ASN 65 HD22 ASN 65 1.802 11.970 -37.230 513 H CYS 66 H CYS 66 3.156 8.721 -41.169 514 HA CYS 66 HA CYS 66 1.893 7.778 -38.716 515 HB2 CYS 66 HB2 CYS 66 1.410 6.645 -41.373 516 HB3 CYS 66 HB3 CYS 66 1.966 5.455 -40.200 517 HA PRO 67 HA PRO 67 5.872 6.212 -37.740 518 HB2 PRO 67 HB2 PRO 67 5.296 3.910 -36.423 519 HB3 PRO 67 HB3 PRO 67 5.003 5.510 -35.732 520 HG2 PRO 67 HG2 PRO 67 3.082 3.643 -37.067 521 HG3 PRO 67 HG3 PRO 67 2.862 4.614 -35.600 522 HD2 PRO 67 HD2 PRO 67 1.871 5.364 -38.006 523 HD3 PRO 67 HD3 PRO 67 2.414 6.537 -36.788 524 HA PRO 68 HA PRO 68 7.348 3.234 -40.618 525 HB2 PRO 68 HB2 PRO 68 9.291 1.953 -39.220 526 HB3 PRO 68 HB3 PRO 68 9.461 3.614 -39.800 527 HG2 PRO 68 HG2 PRO 68 8.724 2.627 -37.071 528 HG3 PRO 68 HG3 PRO 68 9.827 3.940 -37.527 529 HD2 PRO 68 HD2 PRO 68 7.292 4.391 -36.687 530 HD3 PRO 68 HD3 PRO 68 8.106 5.435 -37.870 531 H LEU 69 H LEU 69 8.077 0.780 -40.689 532 HA LEU 69 HA LEU 69 6.167 -0.820 -39.123 533 HB2 LEU 69 HB2 LEU 69 6.789 -1.393 -42.002 534 HB3 LEU 69 HB3 LEU 69 5.487 -2.046 -41.010 535 HG LEU 69 HG LEU 69 4.790 0.538 -40.981 536 HD11 LEU 69 HD11 LEU 69 6.440 0.143 -43.449 537 HD12 LEU 69 HD12 LEU 69 6.443 1.491 -42.312 538 HD13 LEU 69 HD13 LEU 69 5.089 1.277 -43.422 539 HD21 LEU 69 HD21 LEU 69 3.019 -0.137 -42.214 540 HD22 LEU 69 HD22 LEU 69 3.733 -1.728 -41.946 541 HD23 LEU 69 HD23 LEU 69 4.026 -0.873 -43.461 542 H GLU 70 H GLU 70 9.066 -0.331 -38.849 543 HA GLU 70 HA GLU 70 10.271 -2.869 -39.604 544 HB2 GLU 70 HB2 GLU 70 11.228 -0.226 -38.943 545 HB3 GLU 70 HB3 GLU 70 12.053 -1.437 -37.972 546 HG2 GLU 70 HG2 GLU 70 12.605 -2.660 -40.054 547 HG3 GLU 70 HG3 GLU 70 11.890 -1.337 -40.974 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -6.901 -4.263 -0.449 2 HA2 GLY 1 HA2 GLY 1 -4.263 -5.467 -0.975 3 HA3 GLY 1 HA3 GLY 1 -4.858 -4.166 -1.995 4 HA PRO 2 HA PRO 2 -4.065 -2.278 2.402 5 HB2 PRO 2 HB2 PRO 2 -2.611 -3.815 4.103 6 HB3 PRO 2 HB3 PRO 2 -4.377 -3.858 4.041 7 HG2 PRO 2 HG2 PRO 2 -2.392 -5.725 2.801 8 HG3 PRO 2 HG3 PRO 2 -3.903 -6.101 3.650 9 HD2 PRO 2 HD2 PRO 2 -3.712 -6.094 0.949 10 HD3 PRO 2 HD3 PRO 2 -5.202 -5.643 1.803 11 H GLU 3 H GLU 3 -1.576 -4.520 1.218 12 HA GLU 3 HA GLU 3 0.371 -2.312 1.361 13 HB2 GLU 3 HB2 GLU 3 2.126 -4.024 1.515 14 HB3 GLU 3 HB3 GLU 3 0.975 -4.155 2.837 15 HG2 GLU 3 HG2 GLU 3 -0.063 -5.833 0.911 16 HG3 GLU 3 HG3 GLU 3 1.678 -6.076 0.785 17 H LYS 4 H LYS 4 -1.485 -2.791 -0.804 18 HA LYS 4 HA LYS 4 0.344 -3.637 -2.950 19 HB2 LYS 4 HB2 LYS 4 -2.448 -4.130 -2.452 20 HB3 LYS 4 HB3 LYS 4 -2.255 -3.302 -3.991 21 HG2 LYS 4 HG2 LYS 4 -0.678 -5.751 -3.259 22 HG3 LYS 4 HG3 LYS 4 -2.249 -5.823 -4.061 23 HD2 LYS 4 HD2 LYS 4 -1.222 -4.229 -5.788 24 HD3 LYS 4 HD3 LYS 4 0.332 -4.674 -5.080 25 HE2 LYS 4 HE2 LYS 4 0.245 -6.288 -6.664 26 HE3 LYS 4 HE3 LYS 4 -0.701 -7.118 -5.429 27 HZ1 LYS 4 HZ1 LYS 4 -1.510 -6.623 -7.968 28 HZ2 LYS 4 HZ2 LYS 4 -2.278 -5.393 -7.097 29 HZ3 LYS 4 HZ3 LYS 4 -2.529 -7.012 -6.675 30 H MET 5 H MET 5 0.066 -2.443 -5.038 31 HA MET 5 HA MET 5 -1.090 0.107 -5.180 32 HB2 MET 5 HB2 MET 5 1.362 0.038 -3.725 33 HB3 MET 5 HB3 MET 5 1.652 0.870 -5.247 34 HG2 MET 5 HG2 MET 5 -0.793 1.821 -4.162 35 HG3 MET 5 HG3 MET 5 0.434 1.857 -2.897 36 HE1 MET 5 HE1 MET 5 0.833 5.452 -3.581 37 HE2 MET 5 HE2 MET 5 0.146 4.159 -2.598 38 HE3 MET 5 HE3 MET 5 1.896 4.333 -2.728 39 H GLU 6 H GLU 6 -1.593 -0.109 -7.271 40 HA GLU 6 HA GLU 6 0.466 0.026 -9.250 41 HB2 GLU 6 HB2 GLU 6 0.327 -2.445 -8.652 42 HB3 GLU 6 HB3 GLU 6 -1.283 -2.428 -9.360 43 HG2 GLU 6 HG2 GLU 6 -0.465 -2.009 -11.506 44 HG3 GLU 6 HG3 GLU 6 1.110 -1.498 -10.901 45 H VAL 7 H VAL 7 -0.327 0.565 -11.315 46 HA VAL 7 HA VAL 7 -3.227 1.003 -11.508 47 HB VAL 7 HB VAL 7 -2.746 3.185 -12.657 48 HG11 VAL 7 HG11 VAL 7 -3.492 2.934 -10.268 49 HG12 VAL 7 HG12 VAL 7 -1.802 3.135 -9.798 50 HG13 VAL 7 HG13 VAL 7 -2.647 4.436 -10.641 51 HG21 VAL 7 HG21 VAL 7 -0.119 3.309 -11.286 52 HG22 VAL 7 HG22 VAL 7 -0.205 2.416 -12.804 53 HG23 VAL 7 HG23 VAL 7 -0.670 4.116 -12.755 54 H LYS 8 H LYS 8 -4.078 1.011 -13.615 55 HA LYS 8 HA LYS 8 -2.306 0.488 -15.854 56 HB2 LYS 8 HB2 LYS 8 -3.164 -1.691 -14.500 57 HB3 LYS 8 HB3 LYS 8 -4.498 -1.487 -15.627 58 HG2 LYS 8 HG2 LYS 8 -2.800 -1.445 -17.475 59 HG3 LYS 8 HG3 LYS 8 -1.595 -1.918 -16.275 60 HD2 LYS 8 HD2 LYS 8 -3.788 -3.661 -15.957 61 HD3 LYS 8 HD3 LYS 8 -3.473 -3.551 -17.691 62 HE2 LYS 8 HE2 LYS 8 -1.055 -3.997 -17.174 63 HE3 LYS 8 HE3 LYS 8 -1.543 -4.334 -15.513 64 HZ1 LYS 8 HZ1 LYS 8 -1.952 -6.399 -16.155 65 HZ2 LYS 8 HZ2 LYS 8 -1.667 -6.024 -17.779 66 HZ3 LYS 8 HZ3 LYS 8 -3.215 -5.829 -17.126 67 H GLU 9 H GLU 9 -3.228 0.931 -17.848 68 HA GLU 9 HA GLU 9 -5.984 1.970 -17.781 69 HB2 GLU 9 HB2 GLU 9 -5.331 3.708 -19.354 70 HB3 GLU 9 HB3 GLU 9 -4.346 3.801 -17.901 71 HG2 GLU 9 HG2 GLU 9 -3.097 2.121 -19.874 72 HG3 GLU 9 HG3 GLU 9 -3.467 3.710 -20.540 73 H ILE 10 H ILE 10 -6.401 2.482 -20.404 74 HA ILE 10 HA ILE 10 -6.516 -0.204 -21.515 75 HB ILE 10 HB ILE 10 -7.709 2.316 -22.667 76 HG12 ILE 10 HG12 ILE 10 -9.673 0.646 -21.455 77 HG13 ILE 10 HG13 ILE 10 -8.407 0.935 -20.268 78 HG21 ILE 10 HG21 ILE 10 -9.322 0.519 -23.590 79 HG22 ILE 10 HG22 ILE 10 -7.741 0.717 -24.346 80 HG23 ILE 10 HG23 ILE 10 -8.019 -0.609 -23.217 81 HD11 ILE 10 HD11 ILE 10 -9.816 3.102 -21.803 82 HD12 ILE 10 HD12 ILE 10 -10.262 2.567 -20.182 83 HD13 ILE 10 HD13 ILE 10 -8.684 3.303 -20.466 84 H GLY 11 H GLY 11 -4.011 0.162 -21.684 85 HA2 GLY 11 HA2 GLY 11 -3.231 1.651 -24.057 86 HA3 GLY 11 HA3 GLY 11 -2.158 0.784 -22.968 87 H ARG 12 H ARG 12 -4.422 0.435 -25.638 88 HA ARG 12 HA ARG 12 -2.944 -1.940 -26.496 89 HB2 ARG 12 HB2 ARG 12 -5.103 -3.062 -27.088 90 HB3 ARG 12 HB3 ARG 12 -4.821 -2.901 -25.360 91 HG2 ARG 12 HG2 ARG 12 -6.690 -1.741 -25.085 92 HG3 ARG 12 HG3 ARG 12 -6.271 -0.631 -26.391 93 HD2 ARG 12 HD2 ARG 12 -8.336 -1.718 -26.945 94 HD3 ARG 12 HD3 ARG 12 -7.076 -2.328 -28.015 95 HE ARG 12 HE ARG 12 -7.128 -4.108 -25.952 96 HH11 ARG 12 HH11 ARG 12 -9.496 -2.863 -28.179 97 HH12 ARG 12 HH12 ARG 12 -10.451 -4.309 -28.175 98 HH21 ARG 12 HH21 ARG 12 -8.376 -6.017 -25.938 99 HH22 ARG 12 HH22 ARG 12 -9.813 -6.102 -26.899 100 H SER 13 H SER 13 -2.534 0.486 -27.583 101 HA SER 13 HA SER 13 -3.910 0.296 -30.181 102 HB2 SER 13 HB2 SER 13 -3.080 2.823 -28.733 103 HB3 SER 13 HB3 SER 13 -3.722 2.764 -30.374 104 HG SER 13 HG SER 13 -5.090 1.788 -28.087 105 H SER 14 H SER 14 -2.613 1.577 -31.897 106 HA SER 14 HA SER 14 0.212 0.800 -31.613 107 HB2 SER 14 HB2 SER 14 -1.663 0.840 -33.953 108 HB3 SER 14 HB3 SER 14 0.073 0.984 -34.225 109 HG SER 14 HG SER 14 -0.093 -1.133 -34.183 110 H LYS 15 H LYS 15 -0.897 3.304 -30.665 111 HA LYS 15 HA LYS 15 -0.329 5.406 -32.481 112 HB2 LYS 15 HB2 LYS 15 -0.677 6.876 -30.669 113 HB3 LYS 15 HB3 LYS 15 -1.751 5.516 -30.368 114 HG2 LYS 15 HG2 LYS 15 0.977 5.622 -29.142 115 HG3 LYS 15 HG3 LYS 15 -0.389 6.469 -28.413 116 HD2 LYS 15 HD2 LYS 15 -0.846 4.544 -27.376 117 HD3 LYS 15 HD3 LYS 15 -1.402 3.957 -28.945 118 HE2 LYS 15 HE2 LYS 15 0.184 2.404 -27.924 119 HE3 LYS 15 HE3 LYS 15 0.825 3.084 -29.418 120 HZ1 LYS 15 HZ1 LYS 15 2.530 3.970 -28.332 121 HZ2 LYS 15 HZ2 LYS 15 2.076 3.047 -26.989 122 HZ3 LYS 15 HZ3 LYS 15 1.540 4.645 -27.137 123 H ILE 16 H ILE 16 1.465 6.730 -32.673 124 HA ILE 16 HA ILE 16 3.778 6.495 -31.043 125 HB ILE 16 HB ILE 16 5.087 5.737 -33.300 126 HG12 ILE 16 HG12 ILE 16 2.668 3.934 -33.152 127 HG13 ILE 16 HG13 ILE 16 2.837 5.222 -34.340 128 HG21 ILE 16 HG21 ILE 16 4.440 4.612 -30.730 129 HG22 ILE 16 HG22 ILE 16 4.606 3.345 -31.944 130 HG23 ILE 16 HG23 ILE 16 5.926 4.481 -31.670 131 HD11 ILE 16 HD11 ILE 16 4.197 2.606 -34.166 132 HD12 ILE 16 HD12 ILE 16 3.628 3.504 -35.574 133 HD13 ILE 16 HD13 ILE 16 5.135 3.966 -34.783 134 H ILE 17 H ILE 17 5.710 7.619 -32.169 135 HA ILE 17 HA ILE 17 4.655 9.886 -33.730 136 HB ILE 17 HB ILE 17 6.429 11.264 -32.760 137 HG12 ILE 17 HG12 ILE 17 7.842 9.075 -32.317 138 HG13 ILE 17 HG13 ILE 17 8.047 10.502 -31.308 139 HG21 ILE 17 HG21 ILE 17 4.651 9.830 -30.800 140 HG22 ILE 17 HG22 ILE 17 5.580 11.273 -30.397 141 HG23 ILE 17 HG23 ILE 17 4.333 11.347 -31.641 142 HD11 ILE 17 HD11 ILE 17 6.056 8.458 -30.485 143 HD12 ILE 17 HD12 ILE 17 7.772 8.118 -30.260 144 HD13 ILE 17 HD13 ILE 17 7.048 9.535 -29.501 145 H LEU 18 H LEU 18 6.309 10.981 -35.105 146 HA LEU 18 HA LEU 18 8.251 9.056 -36.197 147 HB2 LEU 18 HB2 LEU 18 6.123 9.446 -37.562 148 HB3 LEU 18 HB3 LEU 18 6.768 11.056 -37.877 149 HG LEU 18 HG LEU 18 8.120 8.465 -38.633 150 HD11 LEU 18 HD11 LEU 18 7.469 9.903 -40.918 151 HD12 LEU 18 HD12 LEU 18 6.025 9.990 -39.909 152 HD13 LEU 18 HD13 LEU 18 6.704 8.421 -40.343 153 HD21 LEU 18 HD21 LEU 18 8.896 11.320 -38.747 154 HD22 LEU 18 HD22 LEU 18 9.283 10.326 -40.152 155 HD23 LEU 18 HD23 LEU 18 9.893 9.877 -38.558 156 HA PRO 19 HA PRO 19 10.843 12.586 -35.139 157 HB2 PRO 19 HB2 PRO 19 13.179 11.226 -35.396 158 HB3 PRO 19 HB3 PRO 19 12.158 11.119 -33.957 159 HG2 PRO 19 HG2 PRO 19 12.369 9.235 -36.275 160 HG3 PRO 19 HG3 PRO 19 12.272 8.871 -34.542 161 HD2 PRO 19 HD2 PRO 19 10.132 8.689 -36.190 162 HD3 PRO 19 HD3 PRO 19 9.985 9.150 -34.482 163 H ALA 20 H ALA 20 11.296 14.105 -36.593 164 HA ALA 20 HA ALA 20 12.871 13.484 -38.939 165 HB1 ALA 20 HB1 ALA 20 9.994 13.847 -39.097 166 HB2 ALA 20 HB2 ALA 20 10.876 14.991 -40.109 167 HB3 ALA 20 HB3 ALA 20 11.129 13.257 -40.311 168 H CYS 21 H CYS 21 10.656 16.184 -38.315 169 HA CYS 21 HA CYS 21 12.995 17.925 -37.907 170 HB2 CYS 21 HB2 CYS 21 11.634 19.710 -39.110 171 HB3 CYS 21 HB3 CYS 21 12.296 18.424 -40.114 172 H MET 22 H MET 22 9.518 17.487 -37.408 173 HA MET 22 HA MET 22 9.749 19.135 -34.976 174 HB2 MET 22 HB2 MET 22 8.078 19.560 -37.223 175 HB3 MET 22 HB3 MET 22 7.039 19.037 -35.905 176 HG2 MET 22 HG2 MET 22 7.204 21.447 -35.959 177 HG3 MET 22 HG3 MET 22 7.936 20.808 -34.489 178 HE1 MET 22 HE1 MET 22 8.231 23.370 -34.820 179 HE2 MET 22 HE2 MET 22 9.937 23.518 -34.397 180 HE3 MET 22 HE3 MET 22 9.357 24.123 -35.950 181 H HIS 23 H HIS 23 7.325 18.653 -33.836 182 HA HIS 23 HA HIS 23 7.586 15.840 -33.091 183 HB2 HIS 23 HB2 HIS 23 6.454 18.272 -31.777 184 HB3 HIS 23 HB3 HIS 23 5.838 16.693 -31.299 185 HD1 HIS 23 HD1 HIS 23 8.248 14.986 -31.064 186 HD2 HIS 23 HD2 HIS 23 8.270 18.979 -29.915 187 HE1 HIS 23 HE1 HIS 23 10.149 15.205 -29.432 188 H GLU 24 H GLU 24 6.391 14.481 -34.258 189 HA GLU 24 HA GLU 24 3.600 15.235 -34.831 190 HB2 GLU 24 HB2 GLU 24 3.778 13.743 -36.838 191 HB3 GLU 24 HB3 GLU 24 4.765 15.196 -36.918 192 HG2 GLU 24 HG2 GLU 24 6.664 13.720 -36.039 193 HG3 GLU 24 HG3 GLU 24 5.629 12.364 -36.482 194 H THR 25 H THR 25 2.146 13.334 -35.127 195 HA THR 25 HA THR 25 2.956 10.866 -33.849 196 HB THR 25 HB THR 25 0.598 12.273 -32.627 197 HG1 THR 25 HG1 THR 25 1.904 13.240 -31.168 198 HG21 THR 25 HG21 THR 25 2.393 9.986 -31.846 199 HG22 THR 25 HG22 THR 25 0.650 9.968 -32.113 200 HG23 THR 25 HG23 THR 25 1.317 10.777 -30.695 201 H CYS 26 H CYS 26 1.175 9.251 -33.849 202 HA CYS 26 HA CYS 26 -1.100 9.777 -35.545 203 HB2 CYS 26 HB2 CYS 26 0.814 9.331 -37.129 204 HB3 CYS 26 HB3 CYS 26 0.906 7.709 -36.452 205 H SER 27 H SER 27 -2.725 8.263 -35.319 206 HA SER 27 HA SER 27 -2.329 5.715 -34.107 207 HB2 SER 27 HB2 SER 27 -2.076 7.231 -32.126 208 HB3 SER 27 HB3 SER 27 -3.729 7.783 -32.396 209 HG SER 27 HG SER 27 -4.295 5.476 -32.230 210 H GLY 28 H GLY 28 -3.767 4.531 -35.166 211 HA2 GLY 28 HA2 GLY 28 -6.497 5.602 -35.481 212 HA3 GLY 28 HA3 GLY 28 -5.663 4.859 -36.838 213 H GLY 29 H GLY 29 -6.259 4.052 -33.408 214 HA2 GLY 29 HA2 GLY 29 -7.363 1.478 -34.316 215 HA3 GLY 29 HA3 GLY 29 -6.100 1.501 -33.095 216 H PHE 30 H PHE 30 -6.935 3.714 -31.601 217 HA PHE 30 HA PHE 30 -9.682 3.273 -30.806 218 HB2 PHE 30 HB2 PHE 30 -8.573 1.477 -29.594 219 HB3 PHE 30 HB3 PHE 30 -7.391 2.609 -28.946 220 HD1 PHE 30 HD2 PHE 30 -11.062 1.993 -29.032 221 HD2 PHE 30 HD1 PHE 30 -7.739 3.538 -26.866 222 HE1 PHE 30 HE2 PHE 30 -12.518 2.394 -27.090 223 HE2 PHE 30 HE1 PHE 30 -9.190 3.941 -24.920 224 HZ PHE 30 HZ PHE 30 -11.584 3.370 -25.031 225 H SER 31 H SER 31 -6.578 4.808 -30.096 226 HA SER 31 HA SER 31 -7.680 6.920 -28.536 227 HB2 SER 31 HB2 SER 31 -5.013 6.454 -29.848 228 HB3 SER 31 HB3 SER 31 -5.387 8.000 -29.086 229 HG SER 31 HG SER 31 -4.621 6.930 -27.408 230 H LEU 32 H LEU 32 -6.926 6.507 -31.942 231 HA LEU 32 HA LEU 32 -7.296 7.807 -33.776 232 HB2 LEU 32 HB2 LEU 32 -9.576 7.393 -33.373 233 HB3 LEU 32 HB3 LEU 32 -9.617 8.500 -32.003 234 HG LEU 32 HG LEU 32 -8.923 9.918 -34.409 235 HD11 LEU 32 HD11 LEU 32 -11.050 9.654 -35.591 236 HD12 LEU 32 HD12 LEU 32 -11.498 8.353 -34.489 237 HD13 LEU 32 HD13 LEU 32 -10.122 8.155 -35.573 238 HD21 LEU 32 HD21 LEU 32 -10.334 11.468 -33.545 239 HD22 LEU 32 HD22 LEU 32 -10.085 10.513 -32.083 240 HD23 LEU 32 HD23 LEU 32 -11.534 10.270 -33.060 241 H LYS 33 H LYS 33 -5.432 9.078 -33.647 242 HA LYS 33 HA LYS 33 -5.864 11.865 -33.515 243 HB2 LYS 33 HB2 LYS 33 -4.371 12.384 -31.603 244 HB3 LYS 33 HB3 LYS 33 -5.849 11.565 -31.117 245 HG2 LYS 33 HG2 LYS 33 -4.558 9.429 -31.070 246 HG3 LYS 33 HG3 LYS 33 -3.095 10.377 -31.349 247 HD2 LYS 33 HD2 LYS 33 -4.986 10.810 -29.039 248 HD3 LYS 33 HD3 LYS 33 -3.519 9.834 -28.951 249 HE2 LYS 33 HE2 LYS 33 -2.328 11.945 -29.828 250 HE3 LYS 33 HE3 LYS 33 -3.797 12.793 -29.348 251 HZ1 LYS 33 HZ1 LYS 33 -3.160 11.239 -27.190 252 HZ2 LYS 33 HZ2 LYS 33 -2.898 12.903 -27.335 253 HZ3 LYS 33 HZ3 LYS 33 -1.663 11.816 -27.727 254 H ASN 34 H ASN 34 -3.869 13.104 -33.923 255 HA ASN 34 HA ASN 34 -1.416 11.807 -34.501 256 HB2 ASN 34 HB2 ASN 34 -1.420 11.920 -36.923 257 HB3 ASN 34 HB3 ASN 34 -2.778 10.932 -36.390 258 HD21 ASN 34 HD21 ASN 34 -4.832 11.585 -36.807 259 HD22 ASN 34 HD22 ASN 34 -5.221 12.972 -37.760 260 H ASP 35 H ASP 35 0.196 13.273 -34.637 261 HA ASP 35 HA ASP 35 -0.588 16.102 -34.644 262 HB2 ASP 35 HB2 ASP 35 1.507 14.539 -33.290 263 HB3 ASP 35 HB3 ASP 35 2.047 16.092 -33.923 264 H CYS 36 H CYS 36 -0.096 17.381 -36.301 265 HA CYS 36 HA CYS 36 0.964 16.431 -38.699 266 HB2 CYS 36 HB2 CYS 36 -0.078 18.896 -37.702 267 HB3 CYS 36 HB3 CYS 36 1.419 19.238 -38.563 268 H TRP 37 H TRP 37 2.853 18.023 -39.692 269 HA TRP 37 HA TRP 37 5.184 17.520 -37.961 270 HB2 TRP 37 HB2 TRP 37 6.413 17.548 -40.258 271 HB3 TRP 37 HB3 TRP 37 5.506 16.113 -39.787 272 HD1 TRP 37 HD1 TRP 37 3.018 15.843 -40.961 273 HE1 TRP 37 HE1 TRP 37 2.240 16.551 -43.310 274 HE3 TRP 37 HE3 TRP 37 6.702 19.214 -42.055 275 HZ2 TRP 37 HZ2 TRP 37 3.078 18.306 -45.356 276 HZ3 TRP 37 HZ3 TRP 37 6.642 20.363 -44.229 277 HH2 TRP 37 HH2 TRP 37 4.866 19.917 -45.845 278 H CYS 38 H CYS 38 7.137 18.911 -39.072 279 HA CYS 38 HA CYS 38 6.808 21.510 -38.206 280 HB2 CYS 38 HB2 CYS 38 8.832 22.011 -39.671 281 HB3 CYS 38 HB3 CYS 38 9.021 20.719 -38.491 282 H CYS 39 H CYS 39 7.204 23.487 -39.697 283 HA CYS 39 HA CYS 39 4.982 23.558 -41.563 284 HB2 CYS 39 HB2 CYS 39 6.503 25.508 -39.992 285 HB3 CYS 39 HB3 CYS 39 6.131 26.062 -41.622 286 H LEU 40 H LEU 40 5.591 25.302 -43.458 287 HA LEU 40 HA LEU 40 6.911 23.887 -45.410 288 HB2 LEU 40 HB2 LEU 40 5.853 26.544 -45.097 289 HB3 LEU 40 HB3 LEU 40 7.342 26.584 -46.038 290 HG LEU 40 HG LEU 40 4.953 24.865 -46.699 291 HD11 LEU 40 HD11 LEU 40 5.574 27.031 -48.525 292 HD12 LEU 40 HD12 LEU 40 5.123 27.613 -46.923 293 HD13 LEU 40 HD13 LEU 40 4.031 26.554 -47.816 294 HD21 LEU 40 HD21 LEU 40 7.031 25.606 -48.676 295 HD22 LEU 40 HD22 LEU 40 6.089 24.123 -48.519 296 HD23 LEU 40 HD23 LEU 40 7.468 24.409 -47.456 297 H ARG 41 H ARG 41 8.279 26.890 -44.069 298 HA ARG 41 HA ARG 41 10.869 25.591 -43.761 299 HB2 ARG 41 HB2 ARG 41 12.047 27.266 -45.078 300 HB3 ARG 41 HB3 ARG 41 10.864 26.430 -46.075 301 HG2 ARG 41 HG2 ARG 41 9.666 28.291 -46.443 302 HG3 ARG 41 HG3 ARG 41 9.894 28.889 -44.798 303 HD2 ARG 41 HD2 ARG 41 11.152 30.426 -45.902 304 HD3 ARG 41 HD3 ARG 41 12.385 29.188 -45.670 305 HE ARG 41 HE ARG 41 11.164 28.613 -48.076 306 HH11 ARG 41 HH11 ARG 41 12.955 31.261 -46.697 307 HH12 ARG 41 HH12 ARG 41 13.613 31.777 -48.214 308 HH21 ARG 41 HH21 ARG 41 12.023 29.283 -50.080 309 HH22 ARG 41 HH22 ARG 41 13.081 30.652 -50.138 310 H LEU 42 H LEU 42 12.350 26.783 -42.454 311 HA LEU 42 HA LEU 42 11.531 29.264 -41.247 312 HB2 LEU 42 HB2 LEU 42 11.789 28.115 -38.912 313 HB3 LEU 42 HB3 LEU 42 10.241 28.117 -39.754 314 HG LEU 42 HG LEU 42 11.870 25.777 -40.370 315 HD11 LEU 42 HD11 LEU 42 12.071 24.791 -38.324 316 HD12 LEU 42 HD12 LEU 42 10.758 25.731 -37.615 317 HD13 LEU 42 HD13 LEU 42 12.338 26.473 -37.866 318 HD21 LEU 42 HD21 LEU 42 9.072 26.499 -39.760 319 HD22 LEU 42 HD22 LEU 42 9.566 24.857 -39.347 320 HD23 LEU 42 HD23 LEU 42 9.728 25.436 -41.005 321 H LYS 43 H LYS 43 13.194 30.291 -40.123 322 HA LYS 43 HA LYS 43 15.845 29.171 -40.636 323 HB2 LYS 43 HB2 LYS 43 16.628 31.484 -40.053 324 HB3 LYS 43 HB3 LYS 43 15.567 31.401 -41.453 325 HG2 LYS 43 HG2 LYS 43 13.696 32.164 -40.115 326 HG3 LYS 43 HG3 LYS 43 14.713 32.182 -38.672 327 HD2 LYS 43 HD2 LYS 43 15.746 34.107 -39.266 328 HD3 LYS 43 HD3 LYS 43 15.716 33.717 -40.987 329 HE2 LYS 43 HE2 LYS 43 13.160 34.350 -39.582 330 HE3 LYS 43 HE3 LYS 43 14.247 35.665 -40.028 331 HZ1 LYS 43 HZ1 LYS 43 12.430 34.927 -41.673 332 HZ2 LYS 43 HZ2 LYS 43 13.472 33.643 -42.025 333 HZ3 LYS 43 HZ3 LYS 43 13.984 35.237 -42.266 334 H THR 44 H THR 44 13.848 30.389 -37.994 335 HA THR 44 HA THR 44 15.838 29.337 -36.089 336 HB THR 44 HB THR 44 15.431 31.809 -35.961 337 HG1 THR 44 HG1 THR 44 15.328 31.765 -33.703 338 HG21 THR 44 HG21 THR 44 12.732 31.026 -34.863 339 HG22 THR 44 HG22 THR 44 12.983 31.646 -36.495 340 HG23 THR 44 HG23 THR 44 13.366 32.654 -35.100 341 H LYS 45 H LYS 45 12.436 29.511 -36.946 342 HA LYS 45 HA LYS 45 11.789 26.985 -35.992 343 HB2 LYS 45 HB2 LYS 45 12.096 27.637 -33.752 344 HB3 LYS 45 HB3 LYS 45 11.347 29.207 -34.014 345 HG2 LYS 45 HG2 LYS 45 9.172 28.155 -34.251 346 HG3 LYS 45 HG3 LYS 45 9.906 26.561 -34.056 347 HD2 LYS 45 HD2 LYS 45 10.823 27.762 -31.833 348 HD3 LYS 45 HD3 LYS 45 9.306 28.640 -32.042 349 HE2 LYS 45 HE2 LYS 45 9.295 25.669 -32.269 350 HE3 LYS 45 HE3 LYS 45 9.407 26.398 -30.667 351 HZ1 LYS 45 HZ1 LYS 45 7.239 26.759 -30.715 352 HZ2 LYS 45 HZ2 LYS 45 7.129 26.043 -32.243 353 HZ3 LYS 45 HZ3 LYS 45 7.391 27.708 -32.107 354 H GLN 46 H GLN 46 10.741 30.260 -36.638 355 HA GLN 46 HA GLN 46 8.370 29.173 -37.983 356 HB2 GLN 46 HB2 GLN 46 7.035 31.091 -37.176 357 HB3 GLN 46 HB3 GLN 46 7.575 30.047 -35.868 358 HG2 GLN 46 HG2 GLN 46 8.356 31.846 -34.852 359 HG3 GLN 46 HG3 GLN 46 9.570 31.970 -36.124 360 HE21 GLN 46 HE21 GLN 46 6.145 32.743 -35.600 361 HE22 GLN 46 HE22 GLN 46 6.204 34.295 -36.357 362 H ALA 47 H ALA 47 7.712 30.271 -39.826 363 HA ALA 47 HA ALA 47 8.701 32.775 -40.654 364 HB1 ALA 47 HB1 ALA 47 10.085 30.418 -41.930 365 HB2 ALA 47 HB2 ALA 47 10.263 32.111 -42.394 366 HB3 ALA 47 HB3 ALA 47 10.827 31.565 -40.815 367 H ARG 48 H ARG 48 8.392 29.793 -42.564 368 HA ARG 48 HA ARG 48 5.964 30.934 -43.786 369 HB2 ARG 48 HB2 ARG 48 7.917 29.131 -45.210 370 HB3 ARG 48 HB3 ARG 48 6.608 30.073 -45.910 371 HG2 ARG 48 HG2 ARG 48 7.873 32.129 -45.099 372 HG3 ARG 48 HG3 ARG 48 9.236 31.038 -44.841 373 HD2 ARG 48 HD2 ARG 48 9.153 30.377 -47.192 374 HD3 ARG 48 HD3 ARG 48 7.780 31.452 -47.450 375 HE ARG 48 HE ARG 48 9.826 33.004 -46.411 376 HH11 ARG 48 HH11 ARG 48 9.241 31.073 -49.248 377 HH12 ARG 48 HH12 ARG 48 10.271 32.023 -50.267 378 HH21 ARG 48 HH21 ARG 48 11.184 34.263 -47.742 379 HH22 ARG 48 HH22 ARG 48 11.376 33.837 -49.409 380 H CYS 49 H CYS 49 4.196 29.742 -43.564 381 HA CYS 49 HA CYS 49 4.505 26.900 -42.856 382 HB2 CYS 49 HB2 CYS 49 2.869 29.033 -41.775 383 HB3 CYS 49 HB3 CYS 49 1.874 27.674 -42.287 384 H TRP 50 H TRP 50 2.466 25.594 -43.466 385 HA TRP 50 HA TRP 50 2.049 25.992 -46.326 386 HB2 TRP 50 HB2 TRP 50 2.649 23.750 -44.972 387 HB3 TRP 50 HB3 TRP 50 0.892 23.634 -44.941 388 HD1 TRP 50 HD1 TRP 50 -0.153 24.173 -47.642 389 HE1 TRP 50 HE1 TRP 50 0.608 22.948 -49.774 390 HE3 TRP 50 HE3 TRP 50 4.391 22.479 -46.025 391 HZ2 TRP 50 HZ2 TRP 50 2.840 21.460 -50.653 392 HZ3 TRP 50 HZ3 TRP 50 5.778 21.162 -47.573 393 HH2 TRP 50 HH2 TRP 50 5.016 20.663 -49.839 394 H LYS 51 H LYS 51 0.274 26.921 -47.079 395 HA LYS 51 HA LYS 51 -1.960 27.462 -45.334 396 HB2 LYS 51 HB2 LYS 51 -0.958 28.449 -47.889 397 HB3 LYS 51 HB3 LYS 51 -2.705 28.249 -47.886 398 HG2 LYS 51 HG2 LYS 51 -2.378 30.444 -47.193 399 HG3 LYS 51 HG3 LYS 51 -2.669 29.562 -45.692 400 HD2 LYS 51 HD2 LYS 51 0.075 29.394 -46.057 401 HD3 LYS 51 HD3 LYS 51 -0.325 31.040 -46.555 402 HE2 LYS 51 HE2 LYS 51 -1.787 30.863 -44.303 403 HE3 LYS 51 HE3 LYS 51 -0.470 29.765 -43.894 404 HZ1 LYS 51 HZ1 LYS 51 0.769 31.521 -43.431 405 HZ2 LYS 51 HZ2 LYS 51 -0.469 32.575 -43.897 406 HZ3 LYS 51 HZ3 LYS 51 0.660 32.039 -45.038 407 H GLU 52 H GLU 52 -2.939 25.497 -44.902 408 HA GLU 52 HA GLU 52 -3.582 23.550 -46.829 409 HB2 GLU 52 HB2 GLU 52 -3.523 23.204 -44.345 410 HB3 GLU 52 HB3 GLU 52 -5.044 24.079 -44.239 411 HG2 GLU 52 HG2 GLU 52 -5.498 22.136 -46.165 412 HG3 GLU 52 HG3 GLU 52 -4.542 21.323 -44.927 413 H LYS 53 H LYS 53 -4.921 26.604 -46.224 414 HA LYS 53 HA LYS 53 -7.602 26.056 -47.065 415 HB2 LYS 53 HB2 LYS 53 -7.893 28.467 -47.066 416 HB3 LYS 53 HB3 LYS 53 -7.032 27.972 -45.615 417 HG2 LYS 53 HG2 LYS 53 -4.915 28.648 -46.658 418 HG3 LYS 53 HG3 LYS 53 -5.806 29.185 -48.084 419 HD2 LYS 53 HD2 LYS 53 -7.125 30.679 -46.496 420 HD3 LYS 53 HD3 LYS 53 -5.882 30.314 -45.298 421 HE2 LYS 53 HE2 LYS 53 -4.593 31.897 -46.168 422 HE3 LYS 53 HE3 LYS 53 -4.566 31.025 -47.700 423 HZ1 LYS 53 HZ1 LYS 53 -6.990 32.507 -47.277 424 HZ2 LYS 53 HZ2 LYS 53 -5.965 32.474 -48.622 425 HZ3 LYS 53 HZ3 LYS 53 -5.614 33.491 -47.317 426 H GLU 54 H GLU 54 -4.627 27.004 -48.640 427 HA GLU 54 HA GLU 54 -6.043 27.270 -51.199 428 HB2 GLU 54 HB2 GLU 54 -3.396 28.249 -50.192 429 HB3 GLU 54 HB3 GLU 54 -3.660 28.068 -51.920 430 HG2 GLU 54 HG2 GLU 54 -5.805 29.500 -50.563 431 HG3 GLU 54 HG3 GLU 54 -4.235 30.291 -50.440 432 H PHE 55 H PHE 55 -3.383 25.561 -49.623 433 HA PHE 55 HA PHE 55 -3.239 23.744 -51.933 434 HB2 PHE 55 HB2 PHE 55 -1.195 23.900 -49.728 435 HB3 PHE 55 HB3 PHE 55 -1.006 23.249 -51.353 436 HD1 PHE 55 HD1 PHE 55 -1.254 24.947 -53.298 437 HD2 PHE 55 HD2 PHE 55 -0.464 26.037 -49.260 438 HE1 PHE 55 HE1 PHE 55 -0.356 27.107 -54.060 439 HE2 PHE 55 HE2 PHE 55 0.434 28.199 -50.016 440 HZ PHE 55 HZ PHE 55 0.489 28.737 -52.418 441 HA PRO 56 HA PRO 56 -5.385 20.937 -49.168 442 HB2 PRO 56 HB2 PRO 56 -5.772 19.012 -51.043 443 HB3 PRO 56 HB3 PRO 56 -6.772 20.466 -50.939 444 HG2 PRO 56 HG2 PRO 56 -4.468 19.879 -52.757 445 HG3 PRO 56 HG3 PRO 56 -6.021 20.648 -53.132 446 HD2 PRO 56 HD2 PRO 56 -3.747 22.068 -52.751 447 HD3 PRO 56 HD3 PRO 56 -5.349 22.694 -52.312 448 H ASN 57 H ASN 57 -2.450 20.508 -50.922 449 HA ASN 57 HA ASN 57 -1.767 17.882 -50.356 450 HB2 ASN 57 HB2 ASN 57 -0.509 20.000 -51.552 451 HB3 ASN 57 HB3 ASN 57 0.453 19.793 -50.092 452 HD21 ASN 57 HD21 ASN 57 0.310 17.068 -49.756 453 HD22 ASN 57 HD22 ASN 57 1.128 16.287 -51.063 454 H ALA 58 H ALA 58 -1.317 20.783 -48.370 455 HA ALA 58 HA ALA 58 0.116 19.640 -46.272 456 HB1 ALA 58 HB1 ALA 58 -1.695 21.598 -45.242 457 HB2 ALA 58 HB2 ALA 58 0.041 21.727 -45.524 458 HB3 ALA 58 HB3 ALA 58 -1.094 22.123 -46.815 459 H LYS 59 H LYS 59 -3.368 19.795 -46.838 460 HA LYS 59 HA LYS 59 -4.166 18.738 -44.345 461 HB2 LYS 59 HB2 LYS 59 -5.943 19.713 -45.415 462 HB3 LYS 59 HB3 LYS 59 -5.441 19.142 -47.001 463 HG2 LYS 59 HG2 LYS 59 -7.515 18.090 -46.310 464 HG3 LYS 59 HG3 LYS 59 -6.221 16.897 -46.449 465 HD2 LYS 59 HD2 LYS 59 -6.067 17.743 -43.817 466 HD3 LYS 59 HD3 LYS 59 -7.801 17.672 -44.136 467 HE2 LYS 59 HE2 LYS 59 -6.151 15.396 -45.075 468 HE3 LYS 59 HE3 LYS 59 -6.388 15.554 -43.336 469 HZ1 LYS 59 HZ1 LYS 59 -8.192 14.603 -45.290 470 HZ2 LYS 59 HZ2 LYS 59 -8.865 15.943 -44.510 471 HZ3 LYS 59 HZ3 LYS 59 -8.356 14.607 -43.606 472 H GLU 60 H GLU 60 -3.777 17.178 -47.525 473 HA GLU 60 HA GLU 60 -4.423 14.583 -46.758 474 HB2 GLU 60 HB2 GLU 60 -3.680 15.767 -49.094 475 HB3 GLU 60 HB3 GLU 60 -2.246 14.818 -48.732 476 HG2 GLU 60 HG2 GLU 60 -4.752 13.353 -48.405 477 HG3 GLU 60 HG3 GLU 60 -4.448 13.911 -50.049 478 H LEU 61 H LEU 61 -1.309 16.262 -46.675 479 HA LEU 61 HA LEU 61 0.213 14.031 -45.824 480 HB2 LEU 61 HB2 LEU 61 0.773 16.962 -45.400 481 HB3 LEU 61 HB3 LEU 61 1.942 15.649 -45.279 482 HG LEU 61 HG LEU 61 0.528 16.007 -47.868 483 HD11 LEU 61 HD11 LEU 61 2.967 17.619 -47.548 484 HD12 LEU 61 HD12 LEU 61 1.526 18.251 -46.753 485 HD13 LEU 61 HD13 LEU 61 1.508 17.934 -48.487 486 HD21 LEU 61 HD21 LEU 61 2.126 14.172 -47.469 487 HD22 LEU 61 HD22 LEU 61 3.387 15.364 -47.149 488 HD23 LEU 61 HD23 LEU 61 2.654 15.263 -48.751 489 H CYS 62 H CYS 62 -1.525 16.571 -44.112 490 HA CYS 62 HA CYS 62 -0.549 16.067 -41.531 491 HB2 CYS 62 HB2 CYS 62 -2.412 17.797 -42.690 492 HB3 CYS 62 HB3 CYS 62 -3.342 16.855 -41.529 493 H PHE 63 H PHE 63 -3.435 14.813 -43.187 494 HA PHE 63 HA PHE 63 -4.174 13.111 -41.012 495 HB2 PHE 63 HB2 PHE 63 -5.248 13.844 -43.607 496 HB3 PHE 63 HB3 PHE 63 -5.402 12.115 -43.314 497 HD1 PHE 63 HD2 PHE 63 -5.589 14.955 -40.923 498 HD2 PHE 63 HD1 PHE 63 -7.644 11.769 -42.858 499 HE1 PHE 63 HE2 PHE 63 -7.560 15.374 -39.512 500 HE2 PHE 63 HE1 PHE 63 -9.619 12.184 -41.450 501 HZ PHE 63 HZ PHE 63 -9.578 13.987 -39.774 502 H ALA 64 H ALA 64 -2.534 12.634 -44.111 503 HA ALA 64 HA ALA 64 -2.291 9.817 -43.883 504 HB1 ALA 64 HB1 ALA 64 -0.513 11.652 -45.478 505 HB2 ALA 64 HB2 ALA 64 -0.830 9.940 -45.764 506 HB3 ALA 64 HB3 ALA 64 -2.112 11.127 -46.007 507 H ASN 65 H ASN 65 -0.646 12.414 -42.397 508 HA ASN 65 HA ASN 65 1.929 11.545 -42.040 509 HB2 ASN 65 HB2 ASN 65 2.082 13.106 -40.377 510 HB3 ASN 65 HB3 ASN 65 0.544 13.616 -41.066 511 HD21 ASN 65 HD21 ASN 65 2.070 13.052 -38.264 512 HD22 ASN 65 HD22 ASN 65 0.727 12.644 -37.257 513 H CYS 66 H CYS 66 2.964 10.021 -40.868 514 HA CYS 66 HA CYS 66 1.999 8.720 -38.594 515 HB2 CYS 66 HB2 CYS 66 0.905 7.714 -41.067 516 HB3 CYS 66 HB3 CYS 66 1.884 6.476 -40.288 517 HA PRO 67 HA PRO 67 6.226 7.516 -38.550 518 HB2 PRO 67 HB2 PRO 67 6.120 5.524 -36.707 519 HB3 PRO 67 HB3 PRO 67 5.975 7.234 -36.283 520 HG2 PRO 67 HG2 PRO 67 3.825 5.183 -36.644 521 HG3 PRO 67 HG3 PRO 67 3.987 6.424 -35.388 522 HD2 PRO 67 HD2 PRO 67 2.341 6.714 -37.519 523 HD3 PRO 67 HD3 PRO 67 3.159 8.089 -36.751 524 HA PRO 68 HA PRO 68 6.949 4.005 -41.097 525 HB2 PRO 68 HB2 PRO 68 9.245 2.978 -40.075 526 HB3 PRO 68 HB3 PRO 68 9.192 4.491 -40.987 527 HG2 PRO 68 HG2 PRO 68 9.272 4.067 -38.024 528 HG3 PRO 68 HG3 PRO 68 10.161 5.243 -39.011 529 HD2 PRO 68 HD2 PRO 68 7.944 5.902 -37.602 530 HD3 PRO 68 HD3 PRO 68 8.363 6.679 -39.142 531 H LEU 69 H LEU 69 7.170 1.645 -41.155 532 HA LEU 69 HA LEU 69 6.106 0.373 -38.719 533 HB2 LEU 69 HB2 LEU 69 5.104 -1.294 -40.377 534 HB3 LEU 69 HB3 LEU 69 4.343 0.289 -40.229 535 HG LEU 69 HG LEU 69 6.366 -0.112 -42.377 536 HD11 LEU 69 HD11 LEU 69 4.843 -2.107 -42.406 537 HD12 LEU 69 HD12 LEU 69 4.811 -1.116 -43.864 538 HD13 LEU 69 HD13 LEU 69 3.505 -0.993 -42.686 539 HD21 LEU 69 HD21 LEU 69 3.782 1.234 -42.822 540 HD22 LEU 69 HD22 LEU 69 5.413 1.717 -43.288 541 HD23 LEU 69 HD23 LEU 69 4.851 1.988 -41.638 542 H GLU 70 H GLU 70 8.898 0.686 -39.504 543 HA GLU 70 HA GLU 70 10.825 -0.522 -39.580 544 HB2 GLU 70 HB2 GLU 70 9.278 -1.749 -37.751 545 HB3 GLU 70 HB3 GLU 70 9.474 -3.070 -38.894 546 HG2 GLU 70 HG2 GLU 70 11.985 -1.746 -38.333 547 HG3 GLU 70 HG3 GLU 70 11.215 -2.358 -36.871 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -5.685 -6.843 -1.949 2 HA2 GLY 1 HA2 GLY 1 -3.562 -7.282 -0.804 3 HA3 GLY 1 HA3 GLY 1 -2.762 -6.454 -2.132 4 HA PRO 2 HA PRO 2 -3.744 -3.559 1.495 5 HB2 PRO 2 HB2 PRO 2 -1.201 -3.208 2.378 6 HB3 PRO 2 HB3 PRO 2 -2.264 -4.479 2.992 7 HG2 PRO 2 HG2 PRO 2 -0.093 -4.654 0.939 8 HG3 PRO 2 HG3 PRO 2 -0.469 -5.767 2.267 9 HD2 PRO 2 HD2 PRO 2 -1.216 -6.246 -0.291 10 HD3 PRO 2 HD3 PRO 2 -2.180 -6.779 1.101 11 H GLU 3 H GLU 3 -0.957 -3.620 -0.712 12 HA GLU 3 HA GLU 3 -1.618 -0.907 -1.559 13 HB2 GLU 3 HB2 GLU 3 0.729 -0.177 -1.384 14 HB3 GLU 3 HB3 GLU 3 0.037 -0.559 0.186 15 HG2 GLU 3 HG2 GLU 3 1.113 -2.848 -0.074 16 HG3 GLU 3 HG3 GLU 3 2.020 -2.141 -1.411 17 H LYS 4 H LYS 4 -2.095 -3.231 -2.952 18 HA LYS 4 HA LYS 4 0.030 -3.315 -4.985 19 HB2 LYS 4 HB2 LYS 4 -2.171 -5.278 -4.333 20 HB3 LYS 4 HB3 LYS 4 -1.120 -5.424 -5.735 21 HG2 LYS 4 HG2 LYS 4 -0.151 -5.360 -2.886 22 HG3 LYS 4 HG3 LYS 4 -0.442 -6.833 -3.815 23 HD2 LYS 4 HD2 LYS 4 1.674 -6.670 -4.505 24 HD3 LYS 4 HD3 LYS 4 1.153 -5.292 -5.477 25 HE2 LYS 4 HE2 LYS 4 1.985 -3.755 -3.988 26 HE3 LYS 4 HE3 LYS 4 1.834 -4.847 -2.612 27 HZ1 LYS 4 HZ1 LYS 4 4.135 -4.277 -3.911 28 HZ2 LYS 4 HZ2 LYS 4 3.699 -5.758 -4.601 29 HZ3 LYS 4 HZ3 LYS 4 3.884 -5.628 -2.924 30 H MET 5 H MET 5 -3.329 -2.597 -4.417 31 HA MET 5 HA MET 5 -4.340 -2.605 -7.001 32 HB2 MET 5 HB2 MET 5 -4.985 -0.970 -4.566 33 HB3 MET 5 HB3 MET 5 -5.821 -0.680 -6.086 34 HG2 MET 5 HG2 MET 5 -5.687 -3.434 -4.936 35 HG3 MET 5 HG3 MET 5 -6.863 -2.267 -4.336 36 HE1 MET 5 HE1 MET 5 -9.645 -2.843 -5.955 37 HE2 MET 5 HE2 MET 5 -9.046 -4.501 -5.985 38 HE3 MET 5 HE3 MET 5 -8.641 -3.442 -4.634 39 H GLU 6 H GLU 6 -4.818 -0.773 -8.422 40 HA GLU 6 HA GLU 6 -3.448 1.688 -8.236 41 HB2 GLU 6 HB2 GLU 6 -1.795 1.362 -10.035 42 HB3 GLU 6 HB3 GLU 6 -1.457 0.355 -8.634 43 HG2 GLU 6 HG2 GLU 6 -2.501 -1.553 -9.792 44 HG3 GLU 6 HG3 GLU 6 -2.735 -0.533 -11.210 45 H VAL 7 H VAL 7 -3.411 2.800 -10.487 46 HA VAL 7 HA VAL 7 -6.061 2.467 -11.602 47 HB VAL 7 HB VAL 7 -5.287 4.724 -11.165 48 HG11 VAL 7 HG11 VAL 7 -3.404 5.158 -13.230 49 HG12 VAL 7 HG12 VAL 7 -3.166 5.291 -11.487 50 HG13 VAL 7 HG13 VAL 7 -2.861 3.758 -12.305 51 HG21 VAL 7 HG21 VAL 7 -6.602 3.941 -13.362 52 HG22 VAL 7 HG22 VAL 7 -6.236 5.630 -13.014 53 HG23 VAL 7 HG23 VAL 7 -5.212 4.717 -14.121 54 H LYS 8 H LYS 8 -6.573 1.761 -13.614 55 HA LYS 8 HA LYS 8 -4.710 1.477 -15.734 56 HB2 LYS 8 HB2 LYS 8 -4.845 -1.056 -15.824 57 HB3 LYS 8 HB3 LYS 8 -3.803 -0.380 -14.579 58 HG2 LYS 8 HG2 LYS 8 -5.107 -1.125 -12.887 59 HG3 LYS 8 HG3 LYS 8 -6.601 -0.939 -13.808 60 HD2 LYS 8 HD2 LYS 8 -6.095 -2.942 -15.082 61 HD3 LYS 8 HD3 LYS 8 -4.546 -3.106 -14.251 62 HE2 LYS 8 HE2 LYS 8 -5.598 -3.600 -12.192 63 HE3 LYS 8 HE3 LYS 8 -7.174 -3.084 -12.789 64 HZ1 LYS 8 HZ1 LYS 8 -6.918 -5.517 -12.682 65 HZ2 LYS 8 HZ2 LYS 8 -5.674 -5.427 -13.825 66 HZ3 LYS 8 HZ3 LYS 8 -7.246 -4.966 -14.248 67 H GLU 9 H GLU 9 -5.878 1.709 -17.517 68 HA GLU 9 HA GLU 9 -8.672 0.774 -17.492 69 HB2 GLU 9 HB2 GLU 9 -9.214 2.572 -19.025 70 HB3 GLU 9 HB3 GLU 9 -8.441 3.232 -17.590 71 HG2 GLU 9 HG2 GLU 9 -6.380 3.539 -18.759 72 HG3 GLU 9 HG3 GLU 9 -6.998 2.684 -20.171 73 H ILE 10 H ILE 10 -9.302 0.978 -20.126 74 HA ILE 10 HA ILE 10 -7.782 -1.235 -21.253 75 HB ILE 10 HB ILE 10 -10.250 0.072 -22.394 76 HG12 ILE 10 HG12 ILE 10 -10.822 -2.452 -21.209 77 HG13 ILE 10 HG13 ILE 10 -9.977 -1.479 -20.010 78 HG21 ILE 10 HG21 ILE 10 -9.304 -1.210 -24.082 79 HG22 ILE 10 HG22 ILE 10 -8.743 -2.450 -22.961 80 HG23 ILE 10 HG23 ILE 10 -10.460 -2.319 -23.345 81 HD11 ILE 10 HD11 ILE 10 -12.439 -1.280 -19.917 82 HD12 ILE 10 HD12 ILE 10 -11.616 0.257 -20.185 83 HD13 ILE 10 HD13 ILE 10 -12.406 -0.567 -21.529 84 H GLY 11 H GLY 11 -5.999 0.560 -21.406 85 HA2 GLY 11 HA2 GLY 11 -6.260 1.933 -24.006 86 HA3 GLY 11 HA3 GLY 11 -5.193 2.447 -22.708 87 H ARG 12 H ARG 12 -5.581 0.398 -25.448 88 HA ARG 12 HA ARG 12 -2.743 -0.312 -25.279 89 HB2 ARG 12 HB2 ARG 12 -5.053 -2.200 -25.552 90 HB3 ARG 12 HB3 ARG 12 -3.520 -2.587 -26.320 91 HG2 ARG 12 HG2 ARG 12 -2.537 -2.097 -23.954 92 HG3 ARG 12 HG3 ARG 12 -4.194 -2.395 -23.425 93 HD2 ARG 12 HD2 ARG 12 -3.560 -4.546 -23.363 94 HD3 ARG 12 HD3 ARG 12 -3.783 -4.487 -25.111 95 HE ARG 12 HE ARG 12 -1.209 -3.668 -24.725 96 HH11 ARG 12 HH11 ARG 12 -3.057 -6.478 -23.826 97 HH12 ARG 12 HH12 ARG 12 -1.692 -7.545 -23.854 98 HH21 ARG 12 HH21 ARG 12 0.595 -5.063 -24.766 99 HH22 ARG 12 HH22 ARG 12 0.384 -6.739 -24.388 100 H SER 13 H SER 13 -3.002 1.628 -26.801 101 HA SER 13 HA SER 13 -3.841 0.824 -29.488 102 HB2 SER 13 HB2 SER 13 -2.940 3.470 -29.591 103 HB3 SER 13 HB3 SER 13 -4.617 2.929 -29.523 104 HG SER 13 HG SER 13 -4.654 3.936 -27.684 105 H SER 14 H SER 14 -2.332 2.096 -31.197 106 HA SER 14 HA SER 14 0.419 1.207 -30.625 107 HB2 SER 14 HB2 SER 14 -1.268 0.987 -33.094 108 HB3 SER 14 HB3 SER 14 0.487 1.067 -33.244 109 HG SER 14 HG SER 14 0.401 -0.993 -32.849 110 H LYS 15 H LYS 15 -0.617 3.815 -30.037 111 HA LYS 15 HA LYS 15 0.087 5.684 -32.049 112 HB2 LYS 15 HB2 LYS 15 -0.285 7.356 -30.429 113 HB3 LYS 15 HB3 LYS 15 -1.407 6.066 -30.017 114 HG2 LYS 15 HG2 LYS 15 1.281 6.267 -28.710 115 HG3 LYS 15 HG3 LYS 15 -0.104 7.191 -28.125 116 HD2 LYS 15 HD2 LYS 15 -0.568 5.378 -26.894 117 HD3 LYS 15 HD3 LYS 15 -1.146 4.669 -28.403 118 HE2 LYS 15 HE2 LYS 15 0.659 3.313 -28.614 119 HE3 LYS 15 HE3 LYS 15 1.758 4.484 -27.887 120 HZ1 LYS 15 HZ1 LYS 15 0.955 2.265 -26.665 121 HZ2 LYS 15 HZ2 LYS 15 -0.227 3.337 -26.106 122 HZ3 LYS 15 HZ3 LYS 15 1.410 3.668 -25.836 123 H ILE 16 H ILE 16 1.932 6.914 -32.324 124 HA ILE 16 HA ILE 16 4.174 6.801 -30.583 125 HB ILE 16 HB ILE 16 5.556 5.755 -32.658 126 HG12 ILE 16 HG12 ILE 16 3.050 4.075 -32.500 127 HG13 ILE 16 HG13 ILE 16 3.353 5.234 -33.790 128 HG21 ILE 16 HG21 ILE 16 6.073 4.046 -31.224 129 HG22 ILE 16 HG22 ILE 16 5.346 5.193 -30.100 130 HG23 ILE 16 HG23 ILE 16 4.403 3.830 -30.703 131 HD11 ILE 16 HD11 ILE 16 4.206 2.543 -33.584 132 HD12 ILE 16 HD12 ILE 16 4.481 3.692 -34.893 133 HD13 ILE 16 HD13 ILE 16 5.634 3.576 -33.565 134 H ILE 17 H ILE 17 6.165 7.773 -31.697 135 HA ILE 17 HA ILE 17 5.249 9.874 -33.548 136 HB ILE 17 HB ILE 17 7.081 11.268 -32.677 137 HG12 ILE 17 HG12 ILE 17 8.324 9.065 -31.897 138 HG13 ILE 17 HG13 ILE 17 8.580 10.595 -31.064 139 HG21 ILE 17 HG21 ILE 17 5.116 10.185 -30.671 140 HG22 ILE 17 HG22 ILE 17 6.121 11.603 -30.377 141 HG23 ILE 17 HG23 ILE 17 4.947 11.612 -31.693 142 HD11 ILE 17 HD11 ILE 17 8.100 8.387 -29.742 143 HD12 ILE 17 HD12 ILE 17 7.433 9.930 -29.207 144 HD13 ILE 17 HD13 ILE 17 6.422 8.794 -30.101 145 H LEU 18 H LEU 18 6.980 10.761 -34.977 146 HA LEU 18 HA LEU 18 8.993 8.758 -35.717 147 HB2 LEU 18 HB2 LEU 18 7.122 8.393 -37.197 148 HB3 LEU 18 HB3 LEU 18 7.057 10.109 -37.590 149 HG LEU 18 HG LEU 18 8.109 8.414 -39.266 150 HD11 LEU 18 HD11 LEU 18 8.203 11.089 -39.004 151 HD12 LEU 18 HD12 LEU 18 8.993 10.204 -40.309 152 HD13 LEU 18 HD13 LEU 18 9.922 10.707 -38.897 153 HD21 LEU 18 HD21 LEU 18 10.251 7.706 -38.934 154 HD22 LEU 18 HD22 LEU 18 9.683 7.702 -37.264 155 HD23 LEU 18 HD23 LEU 18 10.649 9.051 -37.864 156 HA PRO 19 HA PRO 19 11.284 12.622 -35.467 157 HB2 PRO 19 HB2 PRO 19 13.726 11.437 -35.515 158 HB3 PRO 19 HB3 PRO 19 12.732 11.530 -34.056 159 HG2 PRO 19 HG2 PRO 19 13.083 9.252 -35.965 160 HG3 PRO 19 HG3 PRO 19 13.034 9.229 -34.193 161 HD2 PRO 19 HD2 PRO 19 10.903 8.549 -35.718 162 HD3 PRO 19 HD3 PRO 19 10.732 9.323 -34.130 163 H ALA 20 H ALA 20 12.311 13.870 -36.981 164 HA ALA 20 HA ALA 20 13.696 12.948 -39.232 165 HB1 ALA 20 HB1 ALA 20 12.059 12.280 -40.582 166 HB2 ALA 20 HB2 ALA 20 10.815 12.918 -39.506 167 HB3 ALA 20 HB3 ALA 20 11.576 13.972 -40.698 168 H CYS 21 H CYS 21 11.192 15.471 -39.068 169 HA CYS 21 HA CYS 21 13.339 17.481 -39.270 170 HB2 CYS 21 HB2 CYS 21 12.156 17.476 -41.345 171 HB3 CYS 21 HB3 CYS 21 10.596 17.440 -40.529 172 H MET 22 H MET 22 10.069 16.837 -38.059 173 HA MET 22 HA MET 22 10.617 18.655 -35.826 174 HB2 MET 22 HB2 MET 22 8.948 19.380 -37.891 175 HB3 MET 22 HB3 MET 22 7.826 18.716 -36.711 176 HG2 MET 22 HG2 MET 22 8.014 21.075 -36.370 177 HG3 MET 22 HG3 MET 22 8.764 20.238 -35.013 178 HE1 MET 22 HE1 MET 22 10.459 20.839 -34.027 179 HE2 MET 22 HE2 MET 22 12.044 21.298 -34.650 180 HE3 MET 22 HE3 MET 22 10.834 22.538 -34.315 181 H HIS 23 H HIS 23 8.261 18.446 -34.468 182 HA HIS 23 HA HIS 23 8.359 15.673 -33.591 183 HB2 HIS 23 HB2 HIS 23 7.212 18.196 -32.417 184 HB3 HIS 23 HB3 HIS 23 6.818 16.614 -31.750 185 HD1 HIS 23 HD1 HIS 23 8.044 16.892 -29.551 186 HD2 HIS 23 HD2 HIS 23 10.466 17.550 -32.862 187 HE1 HIS 23 HE1 HIS 23 10.389 17.026 -28.653 188 H GLU 24 H GLU 24 7.073 14.301 -34.640 189 HA GLU 24 HA GLU 24 4.296 15.137 -35.165 190 HB2 GLU 24 HB2 GLU 24 4.353 13.536 -37.101 191 HB3 GLU 24 HB3 GLU 24 5.366 14.960 -37.289 192 HG2 GLU 24 HG2 GLU 24 6.988 13.011 -36.099 193 HG3 GLU 24 HG3 GLU 24 6.086 12.191 -37.372 194 H THR 25 H THR 25 2.772 13.268 -35.336 195 HA THR 25 HA THR 25 3.558 10.873 -33.886 196 HB THR 25 HB THR 25 1.158 12.371 -32.870 197 HG1 THR 25 HG1 THR 25 2.729 12.947 -31.103 198 HG21 THR 25 HG21 THR 25 2.915 10.159 -31.824 199 HG22 THR 25 HG22 THR 25 1.192 10.099 -32.196 200 HG23 THR 25 HG23 THR 25 1.764 11.024 -30.808 201 H CYS 26 H CYS 26 1.796 9.248 -33.837 202 HA CYS 26 HA CYS 26 -0.419 9.629 -35.650 203 HB2 CYS 26 HB2 CYS 26 1.732 8.987 -36.990 204 HB3 CYS 26 HB3 CYS 26 1.434 7.376 -36.344 205 H SER 27 H SER 27 -2.042 8.111 -35.384 206 HA SER 27 HA SER 27 -1.676 5.684 -33.934 207 HB2 SER 27 HB2 SER 27 -1.565 7.405 -32.098 208 HB3 SER 27 HB3 SER 27 -3.226 7.846 -32.494 209 HG SER 27 HG SER 27 -3.895 5.816 -31.893 210 H GLY 28 H GLY 28 -3.113 4.332 -34.774 211 HA2 GLY 28 HA2 GLY 28 -5.822 5.309 -35.353 212 HA3 GLY 28 HA3 GLY 28 -4.911 4.536 -36.642 213 H GLY 29 H GLY 29 -6.556 4.061 -33.594 214 HA2 GLY 29 HA2 GLY 29 -7.391 1.457 -34.237 215 HA3 GLY 29 HA3 GLY 29 -5.978 1.341 -33.199 216 H PHE 30 H PHE 30 -6.607 3.758 -31.704 217 HA PHE 30 HA PHE 30 -9.177 3.291 -30.471 218 HB2 PHE 30 HB2 PHE 30 -7.806 1.579 -29.375 219 HB3 PHE 30 HB3 PHE 30 -6.629 2.805 -28.915 220 HD1 PHE 30 HD2 PHE 30 -10.316 2.279 -28.638 221 HD2 PHE 30 HD1 PHE 30 -6.706 3.491 -26.737 222 HE1 PHE 30 HE2 PHE 30 -11.554 2.675 -26.549 223 HE2 PHE 30 HE1 PHE 30 -7.938 3.889 -24.644 224 HZ PHE 30 HZ PHE 30 -10.365 3.482 -24.548 225 H SER 31 H SER 31 -6.044 4.921 -30.315 226 HA SER 31 HA SER 31 -7.072 7.128 -28.782 227 HB2 SER 31 HB2 SER 31 -4.453 6.300 -29.869 228 HB3 SER 31 HB3 SER 31 -4.705 8.042 -29.761 229 HG SER 31 HG SER 31 -4.021 6.436 -27.823 230 H LEU 32 H LEU 32 -6.294 6.495 -32.162 231 HA LEU 32 HA LEU 32 -6.666 7.673 -34.076 232 HB2 LEU 32 HB2 LEU 32 -8.956 7.197 -33.542 233 HB3 LEU 32 HB3 LEU 32 -9.022 8.553 -32.418 234 HG LEU 32 HG LEU 32 -8.782 10.105 -34.323 235 HD11 LEU 32 HD11 LEU 32 -7.809 9.200 -36.132 236 HD12 LEU 32 HD12 LEU 32 -9.454 8.723 -36.553 237 HD13 LEU 32 HD13 LEU 32 -8.380 7.574 -35.757 238 HD21 LEU 32 HD21 LEU 32 -10.999 9.329 -33.420 239 HD22 LEU 32 HD22 LEU 32 -11.066 8.194 -34.768 240 HD23 LEU 32 HD23 LEU 32 -11.025 9.930 -35.077 241 H LYS 33 H LYS 33 -4.835 8.996 -33.995 242 HA LYS 33 HA LYS 33 -5.327 11.771 -34.053 243 HB2 LYS 33 HB2 LYS 33 -3.797 12.385 -32.136 244 HB3 LYS 33 HB3 LYS 33 -5.373 11.753 -31.678 245 HG2 LYS 33 HG2 LYS 33 -4.371 9.563 -31.258 246 HG3 LYS 33 HG3 LYS 33 -2.789 10.204 -31.708 247 HD2 LYS 33 HD2 LYS 33 -4.455 11.384 -29.496 248 HD3 LYS 33 HD3 LYS 33 -3.293 10.083 -29.225 249 HE2 LYS 33 HE2 LYS 33 -1.800 11.860 -30.646 250 HE3 LYS 33 HE3 LYS 33 -2.852 12.941 -29.734 251 HZ1 LYS 33 HZ1 LYS 33 -1.845 10.870 -28.075 252 HZ2 LYS 33 HZ2 LYS 33 -1.702 12.546 -27.897 253 HZ3 LYS 33 HZ3 LYS 33 -0.572 11.695 -28.825 254 H ASN 34 H ASN 34 -3.294 13.032 -34.390 255 HA ASN 34 HA ASN 34 -0.834 11.706 -34.875 256 HB2 ASN 34 HB2 ASN 34 -1.015 12.314 -37.451 257 HB3 ASN 34 HB3 ASN 34 -1.553 10.753 -36.839 258 HD21 ASN 34 HD21 ASN 34 -2.928 14.025 -36.975 259 HD22 ASN 34 HD22 ASN 34 -4.429 13.547 -37.683 260 H ASP 35 H ASP 35 0.774 13.163 -34.882 261 HA ASP 35 HA ASP 35 0.026 15.993 -34.956 262 HB2 ASP 35 HB2 ASP 35 2.008 14.413 -33.508 263 HB3 ASP 35 HB3 ASP 35 2.695 15.868 -34.225 264 H CYS 36 H CYS 36 0.435 17.180 -36.691 265 HA CYS 36 HA CYS 36 1.627 16.209 -39.017 266 HB2 CYS 36 HB2 CYS 36 1.386 19.113 -38.208 267 HB3 CYS 36 HB3 CYS 36 1.528 18.484 -39.846 268 H TRP 37 H TRP 37 3.451 17.828 -40.036 269 HA TRP 37 HA TRP 37 5.743 17.605 -38.197 270 HB2 TRP 37 HB2 TRP 37 7.045 17.520 -40.461 271 HB3 TRP 37 HB3 TRP 37 6.236 16.072 -39.868 272 HD1 TRP 37 HD1 TRP 37 3.803 15.503 -41.058 273 HE1 TRP 37 HE1 TRP 37 3.042 15.914 -43.482 274 HE3 TRP 37 HE3 TRP 37 7.266 19.012 -42.412 275 HZ2 TRP 37 HZ2 TRP 37 3.808 17.513 -45.678 276 HZ3 TRP 37 HZ3 TRP 37 7.183 19.932 -44.692 277 HH2 TRP 37 HH2 TRP 37 5.489 19.197 -46.290 278 H CYS 38 H CYS 38 7.653 19.019 -39.310 279 HA CYS 38 HA CYS 38 7.179 21.643 -38.693 280 HB2 CYS 38 HB2 CYS 38 9.164 22.144 -40.221 281 HB3 CYS 38 HB3 CYS 38 9.432 20.974 -38.933 282 H CYS 39 H CYS 39 7.169 23.570 -40.114 283 HA CYS 39 HA CYS 39 5.023 23.384 -41.999 284 HB2 CYS 39 HB2 CYS 39 6.391 25.464 -40.546 285 HB3 CYS 39 HB3 CYS 39 6.237 25.914 -42.241 286 H LEU 40 H LEU 40 5.576 25.093 -44.009 287 HA LEU 40 HA LEU 40 6.780 23.567 -45.948 288 HB2 LEU 40 HB2 LEU 40 5.624 26.102 -45.792 289 HB3 LEU 40 HB3 LEU 40 7.230 26.371 -46.467 290 HG LEU 40 HG LEU 40 5.994 24.174 -47.821 291 HD11 LEU 40 HD11 LEU 40 3.938 25.452 -46.949 292 HD12 LEU 40 HD12 LEU 40 4.019 25.060 -48.666 293 HD13 LEU 40 HD13 LEU 40 4.400 26.692 -48.116 294 HD21 LEU 40 HD21 LEU 40 7.163 26.829 -48.449 295 HD22 LEU 40 HD22 LEU 40 6.164 26.056 -49.680 296 HD23 LEU 40 HD23 LEU 40 7.592 25.229 -49.055 297 H ARG 41 H ARG 41 8.270 26.234 -44.119 298 HA ARG 41 HA ARG 41 10.783 24.995 -43.926 299 HB2 ARG 41 HB2 ARG 41 12.080 26.453 -45.456 300 HB3 ARG 41 HB3 ARG 41 10.978 25.377 -46.306 301 HG2 ARG 41 HG2 ARG 41 9.629 27.827 -45.771 302 HG3 ARG 41 HG3 ARG 41 11.193 28.181 -46.507 303 HD2 ARG 41 HD2 ARG 41 9.404 26.067 -47.648 304 HD3 ARG 41 HD3 ARG 41 9.146 27.768 -48.034 305 HE ARG 41 HE ARG 41 11.848 26.850 -48.443 306 HH11 ARG 41 HH11 ARG 41 8.688 27.241 -49.851 307 HH12 ARG 41 HH12 ARG 41 9.272 27.240 -51.482 308 HH21 ARG 41 HH21 ARG 41 12.629 26.848 -50.586 309 HH22 ARG 41 HH22 ARG 41 11.514 27.016 -51.899 310 H LEU 42 H LEU 42 11.392 25.773 -42.026 311 HA LEU 42 HA LEU 42 11.582 28.641 -41.627 312 HB2 LEU 42 HB2 LEU 42 10.362 28.631 -39.531 313 HB3 LEU 42 HB3 LEU 42 9.323 28.137 -40.866 314 HG LEU 42 HG LEU 42 10.631 26.091 -39.109 315 HD11 LEU 42 HD11 LEU 42 8.995 28.049 -38.074 316 HD12 LEU 42 HD12 LEU 42 9.282 26.456 -37.374 317 HD13 LEU 42 HD13 LEU 42 7.882 26.724 -38.412 318 HD21 LEU 42 HD21 LEU 42 9.643 24.898 -40.749 319 HD22 LEU 42 HD22 LEU 42 8.516 26.191 -41.163 320 HD23 LEU 42 HD23 LEU 42 8.198 25.154 -39.771 321 H LYS 43 H LYS 43 12.358 28.927 -39.155 322 HA LYS 43 HA LYS 43 14.516 26.959 -38.755 323 HB2 LYS 43 HB2 LYS 43 14.633 29.892 -38.045 324 HB3 LYS 43 HB3 LYS 43 15.953 28.731 -37.991 325 HG2 LYS 43 HG2 LYS 43 16.018 28.580 -40.367 326 HG3 LYS 43 HG3 LYS 43 14.531 29.518 -40.523 327 HD2 LYS 43 HD2 LYS 43 15.604 31.499 -39.758 328 HD3 LYS 43 HD3 LYS 43 17.043 30.603 -39.262 329 HE2 LYS 43 HE2 LYS 43 17.877 31.214 -41.248 330 HE3 LYS 43 HE3 LYS 43 16.842 29.949 -41.909 331 HZ1 LYS 43 HZ1 LYS 43 16.196 31.715 -43.168 332 HZ2 LYS 43 HZ2 LYS 43 16.485 32.856 -41.953 333 HZ3 LYS 43 HZ3 LYS 43 15.100 31.887 -41.891 334 H THR 44 H THR 44 11.725 28.242 -37.475 335 HA THR 44 HA THR 44 11.991 26.847 -35.025 336 HB THR 44 HB THR 44 13.169 28.437 -33.918 337 HG1 THR 44 HG1 THR 44 11.654 30.049 -33.003 338 HG21 THR 44 HG21 THR 44 13.849 29.946 -35.502 339 HG22 THR 44 HG22 THR 44 12.755 30.971 -34.572 340 HG23 THR 44 HG23 THR 44 12.211 30.241 -36.083 341 H LYS 45 H LYS 45 10.389 29.898 -35.951 342 HA LYS 45 HA LYS 45 7.833 28.560 -36.176 343 HB2 LYS 45 HB2 LYS 45 6.735 29.535 -34.383 344 HB3 LYS 45 HB3 LYS 45 8.312 29.181 -33.690 345 HG2 LYS 45 HG2 LYS 45 7.327 31.845 -34.685 346 HG3 LYS 45 HG3 LYS 45 7.631 31.374 -33.011 347 HD2 LYS 45 HD2 LYS 45 10.007 31.112 -33.509 348 HD3 LYS 45 HD3 LYS 45 9.710 31.552 -35.193 349 HE2 LYS 45 HE2 LYS 45 9.684 33.736 -34.720 350 HE3 LYS 45 HE3 LYS 45 8.645 33.502 -33.315 351 HZ1 LYS 45 HZ1 LYS 45 10.740 32.668 -32.174 352 HZ2 LYS 45 HZ2 LYS 45 10.629 34.332 -32.457 353 HZ3 LYS 45 HZ3 LYS 45 11.594 33.367 -33.457 354 H GLN 46 H GLN 46 9.858 30.445 -37.565 355 HA GLN 46 HA GLN 46 7.875 32.446 -38.429 356 HB2 GLN 46 HB2 GLN 46 9.658 33.971 -38.911 357 HB3 GLN 46 HB3 GLN 46 9.896 33.371 -37.275 358 HG2 GLN 46 HG2 GLN 46 11.493 31.680 -38.292 359 HG3 GLN 46 HG3 GLN 46 11.413 32.654 -39.759 360 HE21 GLN 46 HE21 GLN 46 11.918 33.046 -36.269 361 HE22 GLN 46 HE22 GLN 46 13.180 34.217 -36.410 362 H ALA 47 H ALA 47 9.440 33.322 -40.657 363 HA ALA 47 HA ALA 47 9.855 32.863 -42.852 364 HB1 ALA 47 HB1 ALA 47 11.247 31.002 -41.818 365 HB2 ALA 47 HB2 ALA 47 9.893 29.934 -42.188 366 HB3 ALA 47 HB3 ALA 47 10.731 30.779 -43.489 367 H ARG 48 H ARG 48 8.982 30.806 -44.502 368 HA ARG 48 HA ARG 48 6.155 31.411 -44.620 369 HB2 ARG 48 HB2 ARG 48 7.720 29.633 -46.489 370 HB3 ARG 48 HB3 ARG 48 6.198 30.455 -46.807 371 HG2 ARG 48 HG2 ARG 48 8.818 31.853 -46.314 372 HG3 ARG 48 HG3 ARG 48 8.150 31.501 -47.909 373 HD2 ARG 48 HD2 ARG 48 6.988 33.389 -47.810 374 HD3 ARG 48 HD3 ARG 48 6.106 32.750 -46.424 375 HE ARG 48 HE ARG 48 8.456 33.713 -45.393 376 HH11 ARG 48 HH11 ARG 48 5.825 35.028 -47.255 377 HH12 ARG 48 HH12 ARG 48 5.990 36.625 -46.604 378 HH21 ARG 48 HH21 ARG 48 8.684 35.811 -44.529 379 HH22 ARG 48 HH22 ARG 48 7.618 37.069 -45.054 380 H CYS 49 H CYS 49 4.475 29.921 -44.556 381 HA CYS 49 HA CYS 49 5.162 27.213 -43.634 382 HB2 CYS 49 HB2 CYS 49 4.272 29.025 -41.887 383 HB3 CYS 49 HB3 CYS 49 2.718 28.509 -42.533 384 H TRP 50 H TRP 50 3.201 25.736 -43.745 385 HA TRP 50 HA TRP 50 1.970 26.099 -46.364 386 HB2 TRP 50 HB2 TRP 50 3.097 23.910 -45.182 387 HB3 TRP 50 HB3 TRP 50 1.387 23.629 -44.868 388 HD1 TRP 50 HD1 TRP 50 -0.062 24.313 -47.420 389 HE1 TRP 50 HE1 TRP 50 0.412 23.136 -49.660 390 HE3 TRP 50 HE3 TRP 50 4.643 22.569 -46.441 391 HZ2 TRP 50 HZ2 TRP 50 2.503 21.663 -50.853 392 HZ3 TRP 50 HZ3 TRP 50 5.811 21.285 -48.185 393 HH2 TRP 50 HH2 TRP 50 4.761 20.842 -50.344 394 H LYS 51 H LYS 51 -0.025 26.846 -46.573 395 HA LYS 51 HA LYS 51 -1.766 26.967 -44.235 396 HB2 LYS 51 HB2 LYS 51 -1.396 28.545 -46.641 397 HB3 LYS 51 HB3 LYS 51 -3.090 28.137 -46.401 398 HG2 LYS 51 HG2 LYS 51 -3.163 29.213 -44.312 399 HG3 LYS 51 HG3 LYS 51 -1.404 29.319 -44.217 400 HD2 LYS 51 HD2 LYS 51 -2.644 30.617 -46.557 401 HD3 LYS 51 HD3 LYS 51 -2.996 31.356 -44.993 402 HE2 LYS 51 HE2 LYS 51 -0.180 30.630 -45.431 403 HE3 LYS 51 HE3 LYS 51 -0.799 31.894 -46.492 404 HZ1 LYS 51 HZ1 LYS 51 -1.173 31.992 -43.559 405 HZ2 LYS 51 HZ2 LYS 51 -1.317 33.253 -44.678 406 HZ3 LYS 51 HZ3 LYS 51 0.208 32.623 -44.305 407 H GLU 52 H GLU 52 -2.857 25.122 -43.907 408 HA GLU 52 HA GLU 52 -3.625 23.303 -45.913 409 HB2 GLU 52 HB2 GLU 52 -4.794 23.669 -43.149 410 HB3 GLU 52 HB3 GLU 52 -5.006 22.256 -44.174 411 HG2 GLU 52 HG2 GLU 52 -2.932 21.461 -43.752 412 HG3 GLU 52 HG3 GLU 52 -2.228 23.068 -43.581 413 H LYS 53 H LYS 53 -4.931 26.295 -45.009 414 HA LYS 53 HA LYS 53 -7.664 25.777 -45.685 415 HB2 LYS 53 HB2 LYS 53 -7.930 28.216 -45.562 416 HB3 LYS 53 HB3 LYS 53 -7.080 27.587 -44.157 417 HG2 LYS 53 HG2 LYS 53 -4.935 28.226 -45.333 418 HG3 LYS 53 HG3 LYS 53 -5.944 29.105 -46.485 419 HD2 LYS 53 HD2 LYS 53 -6.681 29.723 -43.760 420 HD3 LYS 53 HD3 LYS 53 -4.968 30.040 -44.046 421 HE2 LYS 53 HE2 LYS 53 -5.728 32.017 -44.813 422 HE3 LYS 53 HE3 LYS 53 -6.042 31.099 -46.284 423 HZ1 LYS 53 HZ1 LYS 53 -7.893 32.295 -44.448 424 HZ2 LYS 53 HZ2 LYS 53 -8.268 30.682 -44.791 425 HZ3 LYS 53 HZ3 LYS 53 -8.127 31.803 -46.050 426 H GLU 54 H GLU 54 -4.860 27.096 -47.373 427 HA GLU 54 HA GLU 54 -6.448 27.450 -49.803 428 HB2 GLU 54 HB2 GLU 54 -3.679 28.306 -48.993 429 HB3 GLU 54 HB3 GLU 54 -4.207 28.374 -50.669 430 HG2 GLU 54 HG2 GLU 54 -6.029 29.866 -50.046 431 HG3 GLU 54 HG3 GLU 54 -5.522 29.787 -48.359 432 H PHE 55 H PHE 55 -3.647 25.661 -48.594 433 HA PHE 55 HA PHE 55 -3.732 23.998 -51.022 434 HB2 PHE 55 HB2 PHE 55 -1.441 24.119 -49.067 435 HB3 PHE 55 HB3 PHE 55 -1.432 23.505 -50.717 436 HD1 PHE 55 HD1 PHE 55 -1.817 25.183 -52.602 437 HD2 PHE 55 HD2 PHE 55 -0.829 26.314 -48.620 438 HE1 PHE 55 HE1 PHE 55 -1.059 27.377 -53.417 439 HE2 PHE 55 HE2 PHE 55 -0.071 28.510 -49.428 440 HZ PHE 55 HZ PHE 55 -0.186 29.045 -51.830 441 HA PRO 56 HA PRO 56 -5.472 20.984 -48.190 442 HB2 PRO 56 HB2 PRO 56 -6.050 19.160 -50.116 443 HB3 PRO 56 HB3 PRO 56 -7.056 20.580 -49.804 444 HG2 PRO 56 HG2 PRO 56 -4.981 20.156 -51.920 445 HG3 PRO 56 HG3 PRO 56 -6.583 20.905 -52.057 446 HD2 PRO 56 HD2 PRO 56 -4.306 22.359 -51.871 447 HD3 PRO 56 HD3 PRO 56 -5.853 22.918 -51.204 448 H ASN 57 H ASN 57 -2.797 20.687 -50.364 449 HA ASN 57 HA ASN 57 -2.008 18.055 -49.976 450 HB2 ASN 57 HB2 ASN 57 -0.989 20.164 -51.347 451 HB3 ASN 57 HB3 ASN 57 0.173 20.050 -50.028 452 HD21 ASN 57 HD21 ASN 57 0.227 17.338 -49.604 453 HD22 ASN 57 HD22 ASN 57 0.894 16.554 -50.991 454 H ALA 58 H ALA 58 -1.288 20.924 -48.022 455 HA ALA 58 HA ALA 58 0.460 19.741 -46.194 456 HB1 ALA 58 HB1 ALA 58 -1.087 21.676 -44.818 457 HB2 ALA 58 HB2 ALA 58 0.534 21.844 -45.494 458 HB3 ALA 58 HB3 ALA 58 -0.877 22.233 -46.479 459 H LYS 59 H LYS 59 -3.073 20.003 -46.148 460 HA LYS 59 HA LYS 59 -3.475 18.883 -43.598 461 HB2 LYS 59 HB2 LYS 59 -5.204 20.131 -44.845 462 HB3 LYS 59 HB3 LYS 59 -5.314 18.807 -45.998 463 HG2 LYS 59 HG2 LYS 59 -5.678 17.615 -43.511 464 HG3 LYS 59 HG3 LYS 59 -6.589 19.125 -43.434 465 HD2 LYS 59 HD2 LYS 59 -8.202 17.888 -44.416 466 HD3 LYS 59 HD3 LYS 59 -7.301 18.260 -45.888 467 HE2 LYS 59 HE2 LYS 59 -6.040 16.024 -44.769 468 HE3 LYS 59 HE3 LYS 59 -7.770 15.719 -44.617 469 HZ1 LYS 59 HZ1 LYS 59 -8.070 15.868 -46.909 470 HZ2 LYS 59 HZ2 LYS 59 -6.633 14.990 -46.752 471 HZ3 LYS 59 HZ3 LYS 59 -6.581 16.630 -47.165 472 H GLU 60 H GLU 60 -3.450 17.402 -46.827 473 HA GLU 60 HA GLU 60 -4.083 14.793 -46.039 474 HB2 GLU 60 HB2 GLU 60 -3.018 16.103 -48.421 475 HB3 GLU 60 HB3 GLU 60 -2.393 14.475 -48.206 476 HG2 GLU 60 HG2 GLU 60 -5.044 14.104 -47.735 477 HG3 GLU 60 HG3 GLU 60 -5.071 15.383 -48.947 478 H LEU 61 H LEU 61 -0.956 16.425 -46.326 479 HA LEU 61 HA LEU 61 0.630 14.160 -45.732 480 HB2 LEU 61 HB2 LEU 61 1.282 17.067 -45.281 481 HB3 LEU 61 HB3 LEU 61 2.436 15.738 -45.372 482 HG LEU 61 HG LEU 61 0.706 16.167 -47.738 483 HD11 LEU 61 HD11 LEU 61 3.079 17.852 -47.796 484 HD12 LEU 61 HD12 LEU 61 1.869 18.394 -46.633 485 HD13 LEU 61 HD13 LEU 61 1.433 18.190 -48.330 486 HD21 LEU 61 HD21 LEU 61 2.729 15.542 -48.907 487 HD22 LEU 61 HD22 LEU 61 2.407 14.389 -47.612 488 HD23 LEU 61 HD23 LEU 61 3.654 15.620 -47.407 489 H CYS 62 H CYS 62 -0.895 16.624 -43.743 490 HA CYS 62 HA CYS 62 0.407 15.985 -41.317 491 HB2 CYS 62 HB2 CYS 62 -0.873 18.092 -41.771 492 HB3 CYS 62 HB3 CYS 62 -2.360 17.157 -41.652 493 H PHE 63 H PHE 63 -2.696 14.948 -42.696 494 HA PHE 63 HA PHE 63 -3.320 13.225 -40.500 495 HB2 PHE 63 HB2 PHE 63 -4.602 14.109 -42.940 496 HB3 PHE 63 HB3 PHE 63 -4.803 12.374 -42.720 497 HD1 PHE 63 HD2 PHE 63 -5.524 15.686 -41.333 498 HD2 PHE 63 HD1 PHE 63 -6.119 11.492 -40.917 499 HE1 PHE 63 HE2 PHE 63 -7.334 16.107 -39.721 500 HE2 PHE 63 HE1 PHE 63 -7.931 11.906 -39.304 501 HZ PHE 63 HZ PHE 63 -8.540 14.215 -38.703 502 H ALA 64 H ALA 64 -1.716 12.859 -43.586 503 HA ALA 64 HA ALA 64 -1.699 9.986 -43.516 504 HB1 ALA 64 HB1 ALA 64 0.055 11.752 -45.206 505 HB2 ALA 64 HB2 ALA 64 -0.440 10.088 -45.519 506 HB3 ALA 64 HB3 ALA 64 -1.625 11.392 -45.607 507 H ASN 65 H ASN 65 0.268 12.518 -42.248 508 HA ASN 65 HA ASN 65 2.774 11.398 -42.084 509 HB2 ASN 65 HB2 ASN 65 2.793 13.519 -41.227 510 HB3 ASN 65 HB3 ASN 65 1.241 13.321 -40.417 511 HD21 ASN 65 HD21 ASN 65 1.176 12.611 -38.337 512 HD22 ASN 65 HD22 ASN 65 2.584 12.371 -37.365 513 H CYS 66 H CYS 66 3.423 9.495 -41.353 514 HA CYS 66 HA CYS 66 2.509 8.528 -38.776 515 HB2 CYS 66 HB2 CYS 66 1.597 7.390 -41.314 516 HB3 CYS 66 HB3 CYS 66 2.334 6.200 -40.245 517 HA PRO 67 HA PRO 67 6.591 6.956 -38.448 518 HB2 PRO 67 HB2 PRO 67 6.228 4.673 -37.024 519 HB3 PRO 67 HB3 PRO 67 6.061 6.284 -36.316 520 HG2 PRO 67 HG2 PRO 67 3.937 4.414 -37.293 521 HG3 PRO 67 HG3 PRO 67 3.966 5.404 -35.822 522 HD2 PRO 67 HD2 PRO 67 2.597 6.132 -38.042 523 HD3 PRO 67 HD3 PRO 67 3.338 7.316 -36.945 524 HA PRO 68 HA PRO 68 7.557 3.935 -41.494 525 HB2 PRO 68 HB2 PRO 68 9.703 2.664 -40.422 526 HB3 PRO 68 HB3 PRO 68 9.778 4.317 -41.045 527 HG2 PRO 68 HG2 PRO 68 9.505 3.369 -38.219 528 HG3 PRO 68 HG3 PRO 68 10.518 4.670 -38.869 529 HD2 PRO 68 HD2 PRO 68 8.161 5.144 -37.624 530 HD3 PRO 68 HD3 PRO 68 8.768 6.168 -38.941 531 H LEU 69 H LEU 69 7.208 1.814 -42.086 532 HA LEU 69 HA LEU 69 6.373 -0.027 -39.943 533 HB2 LEU 69 HB2 LEU 69 5.190 -0.072 -42.696 534 HB3 LEU 69 HB3 LEU 69 4.567 -0.796 -41.215 535 HG LEU 69 HG LEU 69 4.424 1.772 -40.504 536 HD11 LEU 69 HD11 LEU 69 5.192 2.891 -42.371 537 HD12 LEU 69 HD12 LEU 69 3.447 2.903 -42.626 538 HD13 LEU 69 HD13 LEU 69 4.456 1.745 -43.492 539 HD21 LEU 69 HD21 LEU 69 2.392 0.867 -40.282 540 HD22 LEU 69 HD22 LEU 69 2.598 -0.168 -41.695 541 HD23 LEU 69 HD23 LEU 69 2.077 1.506 -41.895 542 H GLU 70 H GLU 70 8.957 0.303 -41.367 543 HA GLU 70 HA GLU 70 9.114 -2.357 -42.625 544 HB2 GLU 70 HB2 GLU 70 9.648 -0.392 -44.097 545 HB3 GLU 70 HB3 GLU 70 11.012 -0.046 -43.044 546 HG2 GLU 70 HG2 GLU 70 11.715 -1.248 -45.032 547 HG3 GLU 70 HG3 GLU 70 11.995 -2.205 -43.578 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.009 18.891 -19.162 2 HA2 GLY 1 HA2 GLY 1 -1.973 18.626 -17.054 3 HA3 GLY 1 HA3 GLY 1 -1.864 16.883 -17.250 4 HA PRO 2 HA PRO 2 1.364 18.335 -14.205 5 HB2 PRO 2 HB2 PRO 2 0.628 16.641 -12.215 6 HB3 PRO 2 HB3 PRO 2 -0.085 18.245 -12.424 7 HG2 PRO 2 HG2 PRO 2 -1.150 15.574 -13.258 8 HG3 PRO 2 HG3 PRO 2 -2.004 16.934 -12.504 9 HD2 PRO 2 HD2 PRO 2 -2.134 16.424 -15.160 10 HD3 PRO 2 HD3 PRO 2 -2.216 18.069 -14.499 11 H GLU 3 H GLU 3 0.143 14.999 -14.567 12 HA GLU 3 HA GLU 3 2.644 14.064 -15.584 13 HB2 GLU 3 HB2 GLU 3 3.345 12.666 -13.797 14 HB3 GLU 3 HB3 GLU 3 3.064 14.255 -13.099 15 HG2 GLU 3 HG2 GLU 3 0.628 12.938 -12.862 16 HG3 GLU 3 HG3 GLU 3 1.844 11.724 -12.466 17 H LYS 4 H LYS 4 2.435 11.373 -15.000 18 HA LYS 4 HA LYS 4 -0.223 10.401 -15.409 19 HB2 LYS 4 HB2 LYS 4 1.368 11.097 -17.721 20 HB3 LYS 4 HB3 LYS 4 1.019 9.374 -17.706 21 HG2 LYS 4 HG2 LYS 4 -1.217 9.679 -17.996 22 HG3 LYS 4 HG3 LYS 4 -1.224 11.241 -17.174 23 HD2 LYS 4 HD2 LYS 4 -0.697 12.389 -19.062 24 HD3 LYS 4 HD3 LYS 4 0.291 11.078 -19.712 25 HE2 LYS 4 HE2 LYS 4 -1.410 10.692 -21.106 26 HE3 LYS 4 HE3 LYS 4 -2.241 10.005 -19.711 27 HZ1 LYS 4 HZ1 LYS 4 -2.856 12.524 -19.346 28 HZ2 LYS 4 HZ2 LYS 4 -3.772 11.528 -20.359 29 HZ3 LYS 4 HZ3 LYS 4 -2.632 12.588 -21.022 30 H MET 5 H MET 5 -0.029 7.963 -16.182 31 HA MET 5 HA MET 5 2.301 6.757 -14.849 32 HB2 MET 5 HB2 MET 5 0.836 5.047 -13.879 33 HB3 MET 5 HB3 MET 5 0.392 6.656 -13.326 34 HG2 MET 5 HG2 MET 5 -1.323 6.593 -15.251 35 HG3 MET 5 HG3 MET 5 -1.041 4.854 -15.229 36 HE1 MET 5 HE1 MET 5 -4.021 4.335 -14.072 37 HE2 MET 5 HE2 MET 5 -4.469 6.001 -13.708 38 HE3 MET 5 HE3 MET 5 -3.575 5.631 -15.183 39 H GLU 6 H GLU 6 2.095 4.202 -15.289 40 HA GLU 6 HA GLU 6 1.441 3.810 -18.126 41 HB2 GLU 6 HB2 GLU 6 3.960 4.240 -17.544 42 HB3 GLU 6 HB3 GLU 6 3.918 2.576 -16.978 43 HG2 GLU 6 HG2 GLU 6 4.553 2.181 -19.105 44 HG3 GLU 6 HG3 GLU 6 2.810 2.207 -19.365 45 H VAL 7 H VAL 7 -0.353 2.967 -16.439 46 HA VAL 7 HA VAL 7 0.118 0.068 -16.210 47 HB VAL 7 HB VAL 7 -1.486 1.747 -14.276 48 HG11 VAL 7 HG11 VAL 7 -0.878 -1.203 -14.362 49 HG12 VAL 7 HG12 VAL 7 -1.562 -0.373 -12.964 50 HG13 VAL 7 HG13 VAL 7 -2.458 -0.432 -14.482 51 HG21 VAL 7 HG21 VAL 7 1.254 0.525 -14.096 52 HG22 VAL 7 HG22 VAL 7 0.780 2.201 -13.823 53 HG23 VAL 7 HG23 VAL 7 0.317 0.954 -12.665 54 H LYS 8 H LYS 8 -1.294 -1.133 -17.293 55 HA LYS 8 HA LYS 8 -4.068 -0.542 -17.465 56 HB2 LYS 8 HB2 LYS 8 -4.276 -0.060 -19.808 57 HB3 LYS 8 HB3 LYS 8 -3.149 1.097 -19.113 58 HG2 LYS 8 HG2 LYS 8 -1.335 -0.576 -19.910 59 HG3 LYS 8 HG3 LYS 8 -2.616 -1.188 -20.959 60 HD2 LYS 8 HD2 LYS 8 -1.754 0.392 -22.353 61 HD3 LYS 8 HD3 LYS 8 -2.894 1.411 -21.469 62 HE2 LYS 8 HE2 LYS 8 -0.326 1.185 -20.127 63 HE3 LYS 8 HE3 LYS 8 -0.177 1.845 -21.755 64 HZ1 LYS 8 HZ1 LYS 8 -1.610 3.610 -21.234 65 HZ2 LYS 8 HZ2 LYS 8 -0.569 3.491 -19.906 66 HZ3 LYS 8 HZ3 LYS 8 -2.145 2.884 -19.802 67 H GLU 9 H GLU 9 -5.267 -2.268 -18.272 68 HA GLU 9 HA GLU 9 -3.690 -4.675 -18.905 69 HB2 GLU 9 HB2 GLU 9 -5.327 -6.008 -17.805 70 HB3 GLU 9 HB3 GLU 9 -4.945 -4.679 -16.721 71 HG2 GLU 9 HG2 GLU 9 -7.054 -3.682 -18.150 72 HG3 GLU 9 HG3 GLU 9 -7.462 -5.390 -18.003 73 H ILE 10 H ILE 10 -5.676 -2.414 -20.241 74 HA ILE 10 HA ILE 10 -6.799 -4.324 -22.184 75 HB ILE 10 HB ILE 10 -7.779 -1.516 -21.686 76 HG12 ILE 10 HG12 ILE 10 -8.084 -2.898 -19.669 77 HG13 ILE 10 HG13 ILE 10 -9.625 -2.514 -20.429 78 HG21 ILE 10 HG21 ILE 10 -9.754 -3.246 -22.747 79 HG22 ILE 10 HG22 ILE 10 -9.002 -1.844 -23.506 80 HG23 ILE 10 HG23 ILE 10 -8.290 -3.444 -23.710 81 HD11 ILE 10 HD11 ILE 10 -8.723 -4.958 -21.522 82 HD12 ILE 10 HD12 ILE 10 -8.549 -5.051 -19.769 83 HD13 ILE 10 HD13 ILE 10 -10.115 -4.664 -20.481 84 H GLY 11 H GLY 11 -4.396 -4.042 -22.905 85 HA2 GLY 11 HA2 GLY 11 -4.107 -1.660 -24.604 86 HA3 GLY 11 HA3 GLY 11 -2.806 -2.740 -24.125 87 H ARG 12 H ARG 12 -5.724 -2.535 -26.119 88 HA ARG 12 HA ARG 12 -4.567 -4.599 -27.875 89 HB2 ARG 12 HB2 ARG 12 -7.466 -3.833 -27.481 90 HB3 ARG 12 HB3 ARG 12 -6.886 -5.015 -28.646 91 HG2 ARG 12 HG2 ARG 12 -5.801 -5.849 -26.237 92 HG3 ARG 12 HG3 ARG 12 -7.430 -5.312 -25.825 93 HD2 ARG 12 HD2 ARG 12 -8.390 -6.777 -27.467 94 HD3 ARG 12 HD3 ARG 12 -6.793 -7.207 -28.080 95 HE ARG 12 HE ARG 12 -7.098 -7.822 -25.306 96 HH11 ARG 12 HH11 ARG 12 -7.781 -8.938 -28.533 97 HH12 ARG 12 HH12 ARG 12 -7.854 -10.609 -28.079 98 HH21 ARG 12 HH21 ARG 12 -7.191 -10.018 -24.697 99 HH22 ARG 12 HH22 ARG 12 -7.519 -11.222 -25.897 100 H SER 13 H SER 13 -3.578 -2.112 -28.217 101 HA SER 13 HA SER 13 -4.815 -1.281 -30.751 102 HB2 SER 13 HB2 SER 13 -5.417 0.351 -28.991 103 HB3 SER 13 HB3 SER 13 -3.705 0.606 -28.658 104 HG SER 13 HG SER 13 -4.624 0.923 -31.283 105 H SER 14 H SER 14 -3.371 -0.355 -32.286 106 HA SER 14 HA SER 14 -0.597 -1.237 -31.893 107 HB2 SER 14 HB2 SER 14 -2.352 -0.937 -34.303 108 HB3 SER 14 HB3 SER 14 -0.601 -0.840 -34.494 109 HG SER 14 HG SER 14 -0.552 -2.924 -34.343 110 H LYS 15 H LYS 15 -1.625 1.258 -30.822 111 HA LYS 15 HA LYS 15 -0.840 3.444 -32.446 112 HB2 LYS 15 HB2 LYS 15 -1.212 4.801 -30.555 113 HB3 LYS 15 HB3 LYS 15 -2.368 3.484 -30.402 114 HG2 LYS 15 HG2 LYS 15 0.297 3.384 -29.037 115 HG3 LYS 15 HG3 LYS 15 -1.083 4.215 -28.316 116 HD2 LYS 15 HD2 LYS 15 -1.604 2.219 -27.445 117 HD3 LYS 15 HD3 LYS 15 -2.165 1.810 -29.068 118 HE2 LYS 15 HE2 LYS 15 -0.382 0.476 -29.492 119 HE3 LYS 15 HE3 LYS 15 0.724 1.471 -28.547 120 HZ1 LYS 15 HZ1 LYS 15 0.009 0.482 -26.560 121 HZ2 LYS 15 HZ2 LYS 15 0.201 -0.806 -27.638 122 HZ3 LYS 15 HZ3 LYS 15 -1.347 -0.225 -27.283 123 H ILE 16 H ILE 16 1.033 4.666 -32.454 124 HA ILE 16 HA ILE 16 3.236 4.183 -30.728 125 HB ILE 16 HB ILE 16 4.637 3.507 -32.943 126 HG12 ILE 16 HG12 ILE 16 2.114 1.857 -33.123 127 HG13 ILE 16 HG13 ILE 16 2.424 3.243 -34.163 128 HG21 ILE 16 HG21 ILE 16 5.102 1.556 -31.837 129 HG22 ILE 16 HG22 ILE 16 4.378 2.495 -30.532 130 HG23 ILE 16 HG23 ILE 16 3.420 1.283 -31.383 131 HD11 ILE 16 HD11 ILE 16 3.608 1.980 -35.531 132 HD12 ILE 16 HD12 ILE 16 4.686 1.508 -34.217 133 HD13 ILE 16 HD13 ILE 16 3.222 0.578 -34.534 134 H ILE 17 H ILE 17 5.270 5.295 -31.616 135 HA ILE 17 HA ILE 17 4.431 7.725 -33.055 136 HB ILE 17 HB ILE 17 6.282 8.884 -31.919 137 HG12 ILE 17 HG12 ILE 17 7.457 6.543 -31.544 138 HG13 ILE 17 HG13 ILE 17 7.734 7.884 -30.439 139 HG21 ILE 17 HG21 ILE 17 5.290 8.815 -29.609 140 HG22 ILE 17 HG22 ILE 17 4.142 9.101 -30.917 141 HG23 ILE 17 HG23 ILE 17 4.254 7.505 -30.176 142 HD11 ILE 17 HD11 ILE 17 5.517 5.997 -29.853 143 HD12 ILE 17 HD12 ILE 17 7.178 5.485 -29.555 144 HD13 ILE 17 HD13 ILE 17 6.540 6.920 -28.753 145 H LEU 18 H LEU 18 6.208 8.820 -34.270 146 HA LEU 18 HA LEU 18 8.257 7.002 -35.288 147 HB2 LEU 18 HB2 LEU 18 6.426 6.689 -36.813 148 HB3 LEU 18 HB3 LEU 18 6.223 8.431 -36.990 149 HG LEU 18 HG LEU 18 7.389 7.041 -38.863 150 HD11 LEU 18 HD11 LEU 18 9.066 9.365 -38.318 151 HD12 LEU 18 HD12 LEU 18 7.339 9.689 -38.177 152 HD13 LEU 18 HD13 LEU 18 7.992 9.030 -39.677 153 HD21 LEU 18 HD21 LEU 18 9.887 7.708 -37.402 154 HD22 LEU 18 HD22 LEU 18 9.581 6.467 -38.618 155 HD23 LEU 18 HD23 LEU 18 9.038 6.227 -36.957 156 HA PRO 19 HA PRO 19 10.336 10.931 -34.601 157 HB2 PRO 19 HB2 PRO 19 12.839 9.896 -34.793 158 HB3 PRO 19 HB3 PRO 19 11.855 9.765 -33.331 159 HG2 PRO 19 HG2 PRO 19 12.312 7.747 -35.495 160 HG3 PRO 19 HG3 PRO 19 12.281 7.515 -33.737 161 HD2 PRO 19 HD2 PRO 19 10.176 6.900 -35.325 162 HD3 PRO 19 HD3 PRO 19 9.978 7.474 -33.656 163 H ALA 20 H ALA 20 11.289 12.400 -35.960 164 HA ALA 20 HA ALA 20 12.695 11.822 -38.310 165 HB1 ALA 20 HB1 ALA 20 10.681 12.816 -39.781 166 HB2 ALA 20 HB2 ALA 20 10.970 11.089 -39.569 167 HB3 ALA 20 HB3 ALA 20 9.759 11.908 -38.582 168 H CYS 21 H CYS 21 10.071 14.174 -37.809 169 HA CYS 21 HA CYS 21 12.100 16.309 -37.898 170 HB2 CYS 21 HB2 CYS 21 10.300 16.100 -39.757 171 HB3 CYS 21 HB3 CYS 21 9.195 16.735 -38.542 172 H MET 22 H MET 22 9.467 14.925 -36.137 173 HA MET 22 HA MET 22 10.088 16.435 -33.806 174 HB2 MET 22 HB2 MET 22 8.209 17.606 -35.567 175 HB3 MET 22 HB3 MET 22 7.300 16.989 -34.193 176 HG2 MET 22 HG2 MET 22 9.584 18.284 -33.164 177 HG3 MET 22 HG3 MET 22 8.886 19.343 -34.387 178 HE1 MET 22 HE1 MET 22 7.458 21.223 -31.606 179 HE2 MET 22 HE2 MET 22 8.655 20.167 -30.856 180 HE3 MET 22 HE3 MET 22 8.956 20.845 -32.457 181 H HIS 23 H HIS 23 7.791 16.146 -32.342 182 HA HIS 23 HA HIS 23 7.707 13.266 -32.014 183 HB2 HIS 23 HB2 HIS 23 6.820 15.614 -30.377 184 HB3 HIS 23 HB3 HIS 23 6.168 14.016 -30.027 185 HD1 HIS 23 HD1 HIS 23 7.356 13.799 -27.776 186 HD2 HIS 23 HD2 HIS 23 9.943 14.447 -30.961 187 HE1 HIS 23 HE1 HIS 23 9.660 13.364 -26.869 188 H GLU 24 H GLU 24 6.355 12.202 -33.319 189 HA GLU 24 HA GLU 24 3.601 13.220 -33.564 190 HB2 GLU 24 HB2 GLU 24 3.561 12.064 -35.807 191 HB3 GLU 24 HB3 GLU 24 4.582 13.492 -35.712 192 HG2 GLU 24 HG2 GLU 24 6.521 11.938 -35.312 193 HG3 GLU 24 HG3 GLU 24 5.436 10.613 -35.729 194 H THR 25 H THR 25 2.010 11.476 -34.107 195 HA THR 25 HA THR 25 2.756 8.810 -33.197 196 HB THR 25 HB THR 25 0.344 10.068 -31.930 197 HG1 THR 25 HG1 THR 25 1.730 10.535 -30.117 198 HG21 THR 25 HG21 THR 25 0.420 7.717 -31.680 199 HG22 THR 25 HG22 THR 25 0.990 8.374 -30.145 200 HG23 THR 25 HG23 THR 25 2.144 7.735 -31.315 201 H CYS 26 H CYS 26 0.957 7.241 -33.484 202 HA CYS 26 HA CYS 26 -1.216 8.019 -35.220 203 HB2 CYS 26 HB2 CYS 26 0.892 7.642 -36.666 204 HB3 CYS 26 HB3 CYS 26 0.674 5.936 -36.289 205 H SER 27 H SER 27 -2.873 6.517 -35.280 206 HA SER 27 HA SER 27 -2.582 3.847 -34.320 207 HB2 SER 27 HB2 SER 27 -2.485 5.192 -32.187 208 HB3 SER 27 HB3 SER 27 -4.134 5.719 -32.522 209 HG SER 27 HG SER 27 -4.675 3.432 -32.577 210 H GLY 28 H GLY 28 -4.025 2.709 -35.425 211 HA2 GLY 28 HA2 GLY 28 -6.688 3.867 -35.893 212 HA3 GLY 28 HA3 GLY 28 -5.763 3.263 -37.260 213 H GLY 29 H GLY 29 -6.520 2.080 -33.975 214 HA2 GLY 29 HA2 GLY 29 -7.661 -0.335 -35.207 215 HA3 GLY 29 HA3 GLY 29 -6.392 -0.507 -34.003 216 H PHE 30 H PHE 30 -6.905 0.914 -31.951 217 HA PHE 30 HA PHE 30 -9.731 0.473 -31.247 218 HB2 PHE 30 HB2 PHE 30 -8.472 -1.251 -30.153 219 HB3 PHE 30 HB3 PHE 30 -7.266 -0.095 -29.596 220 HD1 PHE 30 HD2 PHE 30 -10.663 -1.374 -29.096 221 HD2 PHE 30 HD1 PHE 30 -7.658 1.283 -27.674 222 HE1 PHE 30 HE2 PHE 30 -11.913 -1.090 -26.996 223 HE2 PHE 30 HE1 PHE 30 -8.903 1.572 -25.571 224 HZ PHE 30 HZ PHE 30 -11.034 0.385 -25.231 225 H SER 31 H SER 31 -6.814 2.368 -30.737 226 HA SER 31 HA SER 31 -8.135 4.270 -29.016 227 HB2 SER 31 HB2 SER 31 -5.399 3.746 -29.917 228 HB3 SER 31 HB3 SER 31 -5.782 5.465 -29.826 229 HG SER 31 HG SER 31 -4.976 4.526 -27.841 230 H LEU 32 H LEU 32 -7.058 4.128 -32.376 231 HA LEU 32 HA LEU 32 -7.470 5.450 -34.181 232 HB2 LEU 32 HB2 LEU 32 -9.747 4.744 -33.765 233 HB3 LEU 32 HB3 LEU 32 -9.959 6.037 -32.586 234 HG LEU 32 HG LEU 32 -9.230 7.316 -34.964 235 HD11 LEU 32 HD11 LEU 32 -9.668 5.450 -36.333 236 HD12 LEU 32 HD12 LEU 32 -11.097 6.476 -36.454 237 HD13 LEU 32 HD13 LEU 32 -11.129 5.036 -35.438 238 HD21 LEU 32 HD21 LEU 32 -11.899 6.929 -33.617 239 HD22 LEU 32 HD22 LEU 32 -11.581 8.114 -34.884 240 HD23 LEU 32 HD23 LEU 32 -10.742 8.230 -33.337 241 H LYS 33 H LYS 33 -5.612 6.735 -33.306 242 HA LYS 33 HA LYS 33 -6.394 9.528 -33.184 243 HB2 LYS 33 HB2 LYS 33 -4.584 8.365 -31.062 244 HB3 LYS 33 HB3 LYS 33 -5.110 10.037 -31.199 245 HG2 LYS 33 HG2 LYS 33 -7.404 9.371 -30.743 246 HG3 LYS 33 HG3 LYS 33 -6.904 7.681 -30.647 247 HD2 LYS 33 HD2 LYS 33 -6.878 8.213 -28.425 248 HD3 LYS 33 HD3 LYS 33 -5.223 8.655 -28.851 249 HE2 LYS 33 HE2 LYS 33 -6.478 10.967 -29.406 250 HE3 LYS 33 HE3 LYS 33 -7.524 10.360 -28.123 251 HZ1 LYS 33 HZ1 LYS 33 -5.801 11.703 -27.175 252 HZ2 LYS 33 HZ2 LYS 33 -4.594 10.810 -27.953 253 HZ3 LYS 33 HZ3 LYS 33 -5.523 10.093 -26.734 254 H ASN 34 H ASN 34 -4.236 10.889 -32.996 255 HA ASN 34 HA ASN 34 -1.847 9.769 -34.008 256 HB2 ASN 34 HB2 ASN 34 -2.210 11.271 -36.234 257 HB3 ASN 34 HB3 ASN 34 -2.519 9.539 -36.163 258 HD21 ASN 34 HD21 ASN 34 -4.248 12.468 -35.142 259 HD22 ASN 34 HD22 ASN 34 -5.743 12.052 -35.900 260 H ASP 35 H ASP 35 -0.163 11.262 -34.084 261 HA ASP 35 HA ASP 35 -0.863 13.958 -33.120 262 HB2 ASP 35 HB2 ASP 35 0.609 12.137 -31.767 263 HB3 ASP 35 HB3 ASP 35 1.884 12.950 -32.671 264 H CYS 36 H CYS 36 -0.415 15.580 -34.445 265 HA CYS 36 HA CYS 36 0.646 15.327 -36.981 266 HB2 CYS 36 HB2 CYS 36 -0.178 17.486 -35.256 267 HB3 CYS 36 HB3 CYS 36 1.261 17.948 -36.159 268 H TRP 37 H TRP 37 2.635 16.687 -37.725 269 HA TRP 37 HA TRP 37 4.921 15.935 -36.023 270 HB2 TRP 37 HB2 TRP 37 6.209 15.724 -38.171 271 HB3 TRP 37 HB3 TRP 37 4.929 14.531 -37.967 272 HD1 TRP 37 HD1 TRP 37 2.555 15.163 -39.343 273 HE1 TRP 37 HE1 TRP 37 2.316 16.177 -41.696 274 HE3 TRP 37 HE3 TRP 37 7.226 17.182 -39.835 275 HZ2 TRP 37 HZ2 TRP 37 3.898 17.640 -43.520 276 HZ3 TRP 37 HZ3 TRP 37 7.783 18.373 -41.915 277 HH2 TRP 37 HH2 TRP 37 6.153 18.595 -43.719 278 H CYS 38 H CYS 38 6.967 17.190 -37.194 279 HA CYS 38 HA CYS 38 6.905 19.767 -36.248 280 HB2 CYS 38 HB2 CYS 38 9.026 19.964 -37.061 281 HB3 CYS 38 HB3 CYS 38 8.842 18.226 -37.277 282 H CYS 39 H CYS 39 6.768 21.829 -37.233 283 HA CYS 39 HA CYS 39 4.709 21.994 -39.239 284 HB2 CYS 39 HB2 CYS 39 5.656 23.651 -37.168 285 HB3 CYS 39 HB3 CYS 39 5.951 24.531 -38.664 286 H LEU 40 H LEU 40 5.375 24.253 -40.661 287 HA LEU 40 HA LEU 40 6.687 23.310 -42.871 288 HB2 LEU 40 HB2 LEU 40 5.829 25.890 -41.887 289 HB3 LEU 40 HB3 LEU 40 7.308 26.025 -42.836 290 HG LEU 40 HG LEU 40 4.734 24.771 -43.792 291 HD11 LEU 40 HD11 LEU 40 5.511 27.504 -43.579 292 HD12 LEU 40 HD12 LEU 40 4.037 26.819 -44.264 293 HD13 LEU 40 HD13 LEU 40 5.456 27.057 -45.284 294 HD21 LEU 40 HD21 LEU 40 6.645 23.778 -44.871 295 HD22 LEU 40 HD22 LEU 40 7.337 25.368 -45.194 296 HD23 LEU 40 HD23 LEU 40 5.847 24.874 -46.001 297 H ARG 41 H ARG 41 8.206 25.817 -40.853 298 HA ARG 41 HA ARG 41 10.661 24.296 -40.664 299 HB2 ARG 41 HB2 ARG 41 12.063 25.889 -41.796 300 HB3 ARG 41 HB3 ARG 41 10.784 25.394 -42.898 301 HG2 ARG 41 HG2 ARG 41 9.976 27.715 -41.410 302 HG3 ARG 41 HG3 ARG 41 11.526 27.993 -42.206 303 HD2 ARG 41 HD2 ARG 41 9.054 26.934 -43.569 304 HD3 ARG 41 HD3 ARG 41 9.574 28.618 -43.599 305 HE ARG 41 HE ARG 41 10.624 26.466 -45.159 306 HH11 ARG 41 HH11 ARG 41 11.409 29.510 -43.664 307 HH12 ARG 41 HH12 ARG 41 12.700 29.866 -44.764 308 HH21 ARG 41 HH21 ARG 41 12.321 26.923 -46.613 309 HH22 ARG 41 HH22 ARG 41 13.217 28.394 -46.441 310 H LEU 42 H LEU 42 12.327 25.488 -39.389 311 HA LEU 42 HA LEU 42 11.583 27.802 -37.902 312 HB2 LEU 42 HB2 LEU 42 11.789 26.381 -35.688 313 HB3 LEU 42 HB3 LEU 42 10.242 26.636 -36.491 314 HG LEU 42 HG LEU 42 11.670 24.229 -37.366 315 HD11 LEU 42 HD11 LEU 42 10.418 24.026 -34.673 316 HD12 LEU 42 HD12 LEU 42 12.090 24.571 -34.798 317 HD13 LEU 42 HD13 LEU 42 11.626 22.995 -35.440 318 HD21 LEU 42 HD21 LEU 42 8.927 25.164 -36.816 319 HD22 LEU 42 HD22 LEU 42 9.230 23.448 -36.549 320 HD23 LEU 42 HD23 LEU 42 9.547 24.164 -38.130 321 H LYS 43 H LYS 43 13.276 28.605 -36.621 322 HA LYS 43 HA LYS 43 15.880 27.492 -37.304 323 HB2 LYS 43 HB2 LYS 43 16.777 29.606 -36.430 324 HB3 LYS 43 HB3 LYS 43 15.538 29.883 -37.648 325 HG2 LYS 43 HG2 LYS 43 14.004 29.966 -35.465 326 HG3 LYS 43 HG3 LYS 43 15.533 30.492 -34.757 327 HD2 LYS 43 HD2 LYS 43 14.647 31.732 -37.316 328 HD3 LYS 43 HD3 LYS 43 13.844 32.219 -35.821 329 HE2 LYS 43 HE2 LYS 43 15.799 33.091 -34.912 330 HE3 LYS 43 HE3 LYS 43 16.833 32.163 -35.998 331 HZ1 LYS 43 HZ1 LYS 43 16.561 34.642 -36.441 332 HZ2 LYS 43 HZ2 LYS 43 15.021 34.257 -37.026 333 HZ3 LYS 43 HZ3 LYS 43 16.394 33.594 -37.759 334 H THR 44 H THR 44 13.966 28.313 -34.445 335 HA THR 44 HA THR 44 15.864 26.748 -32.820 336 HB THR 44 HB THR 44 15.735 29.208 -32.268 337 HG1 THR 44 HG1 THR 44 15.153 27.153 -30.415 338 HG21 THR 44 HG21 THR 44 13.258 29.367 -32.649 339 HG22 THR 44 HG22 THR 44 13.815 30.070 -31.130 340 HG23 THR 44 HG23 THR 44 13.032 28.489 -31.137 341 H LYS 45 H LYS 45 12.490 27.498 -33.469 342 HA LYS 45 HA LYS 45 11.582 24.911 -32.895 343 HB2 LYS 45 HB2 LYS 45 10.570 25.063 -30.789 344 HB3 LYS 45 HB3 LYS 45 12.144 25.812 -30.553 345 HG2 LYS 45 HG2 LYS 45 11.028 28.032 -30.910 346 HG3 LYS 45 HG3 LYS 45 9.484 27.178 -30.856 347 HD2 LYS 45 HD2 LYS 45 9.572 27.557 -28.647 348 HD3 LYS 45 HD3 LYS 45 10.738 26.232 -28.619 349 HE2 LYS 45 HE2 LYS 45 12.566 27.693 -28.572 350 HE3 LYS 45 HE3 LYS 45 11.599 29.063 -29.113 351 HZ1 LYS 45 HZ1 LYS 45 11.616 29.573 -26.942 352 HZ2 LYS 45 HZ2 LYS 45 11.958 27.993 -26.446 353 HZ3 LYS 45 HZ3 LYS 45 10.371 28.433 -26.830 354 H GLN 46 H GLN 46 10.893 28.330 -33.151 355 HA GLN 46 HA GLN 46 8.459 27.670 -34.649 356 HB2 GLN 46 HB2 GLN 46 7.289 29.583 -33.602 357 HB3 GLN 46 HB3 GLN 46 7.684 28.315 -32.449 358 HG2 GLN 46 HG2 GLN 46 9.830 29.802 -32.080 359 HG3 GLN 46 HG3 GLN 46 8.765 31.067 -32.693 360 HE21 GLN 46 HE21 GLN 46 6.356 30.330 -31.656 361 HE22 GLN 46 HE22 GLN 46 6.404 30.421 -29.931 362 H ALA 47 H ALA 47 8.039 28.969 -36.394 363 HA ALA 47 HA ALA 47 9.191 31.503 -36.846 364 HB1 ALA 47 HB1 ALA 47 10.914 31.064 -38.396 365 HB2 ALA 47 HB2 ALA 47 11.221 29.999 -37.023 366 HB3 ALA 47 HB3 ALA 47 10.495 29.354 -38.495 367 H ARG 48 H ARG 48 8.804 28.749 -39.070 368 HA ARG 48 HA ARG 48 6.556 30.192 -40.315 369 HB2 ARG 48 HB2 ARG 48 9.028 29.512 -41.472 370 HB3 ARG 48 HB3 ARG 48 7.860 28.381 -42.142 371 HG2 ARG 48 HG2 ARG 48 7.676 31.386 -42.205 372 HG3 ARG 48 HG3 ARG 48 8.062 30.325 -43.561 373 HD2 ARG 48 HD2 ARG 48 5.670 29.337 -42.526 374 HD3 ARG 48 HD3 ARG 48 5.491 31.091 -42.489 375 HE ARG 48 HE ARG 48 6.504 30.080 -44.983 376 HH11 ARG 48 HH11 ARG 48 3.646 30.790 -43.126 377 HH12 ARG 48 HH12 ARG 48 2.627 30.962 -44.516 378 HH21 ARG 48 HH21 ARG 48 5.172 30.303 -46.821 379 HH22 ARG 48 HH22 ARG 48 3.496 30.684 -46.618 380 H CYS 49 H CYS 49 4.699 29.132 -40.204 381 HA CYS 49 HA CYS 49 4.764 26.208 -39.868 382 HB2 CYS 49 HB2 CYS 49 3.437 28.232 -38.393 383 HB3 CYS 49 HB3 CYS 49 2.196 27.323 -39.249 384 H TRP 50 H TRP 50 2.792 25.077 -40.733 385 HA TRP 50 HA TRP 50 2.343 25.985 -43.469 386 HB2 TRP 50 HB2 TRP 50 2.938 23.528 -42.521 387 HB3 TRP 50 HB3 TRP 50 1.181 23.420 -42.550 388 HD1 TRP 50 HD1 TRP 50 0.216 24.487 -45.135 389 HE1 TRP 50 HE1 TRP 50 1.014 23.654 -47.435 390 HE3 TRP 50 HE3 TRP 50 4.675 22.410 -43.742 391 HZ2 TRP 50 HZ2 TRP 50 3.240 22.296 -48.517 392 HZ3 TRP 50 HZ3 TRP 50 6.079 21.364 -45.470 393 HH2 TRP 50 HH2 TRP 50 5.375 21.308 -47.807 394 H LYS 51 H LYS 51 0.558 27.026 -44.027 395 HA LYS 51 HA LYS 51 -1.658 27.235 -42.186 396 HB2 LYS 51 HB2 LYS 51 -1.405 28.385 -44.969 397 HB3 LYS 51 HB3 LYS 51 -2.547 28.876 -43.725 398 HG2 LYS 51 HG2 LYS 51 0.018 29.117 -42.596 399 HG3 LYS 51 HG3 LYS 51 0.104 29.815 -44.215 400 HD2 LYS 51 HD2 LYS 51 -1.825 31.228 -43.714 401 HD3 LYS 51 HD3 LYS 51 -1.937 30.516 -42.103 402 HE2 LYS 51 HE2 LYS 51 0.693 31.628 -42.826 403 HE3 LYS 51 HE3 LYS 51 -0.611 32.804 -42.667 404 HZ1 LYS 51 HZ1 LYS 51 0.643 31.135 -40.633 405 HZ2 LYS 51 HZ2 LYS 51 -1.020 31.402 -40.476 406 HZ3 LYS 51 HZ3 LYS 51 0.047 32.714 -40.520 407 H GLU 52 H GLU 52 -2.681 25.260 -42.113 408 HA GLU 52 HA GLU 52 -3.317 23.675 -44.349 409 HB2 GLU 52 HB2 GLU 52 -4.894 23.745 -41.781 410 HB3 GLU 52 HB3 GLU 52 -4.681 22.391 -42.881 411 HG2 GLU 52 HG2 GLU 52 -3.035 21.696 -41.581 412 HG3 GLU 52 HG3 GLU 52 -2.102 23.093 -42.115 413 H LYS 53 H LYS 53 -4.632 26.601 -43.255 414 HA LYS 53 HA LYS 53 -7.307 26.238 -44.204 415 HB2 LYS 53 HB2 LYS 53 -7.536 28.652 -43.851 416 HB3 LYS 53 HB3 LYS 53 -6.791 27.876 -42.460 417 HG2 LYS 53 HG2 LYS 53 -4.569 28.591 -43.358 418 HG3 LYS 53 HG3 LYS 53 -5.436 29.526 -44.579 419 HD2 LYS 53 HD2 LYS 53 -6.686 30.367 -42.334 420 HD3 LYS 53 HD3 LYS 53 -5.073 30.037 -41.698 421 HE2 LYS 53 HE2 LYS 53 -4.137 31.751 -42.828 422 HE3 LYS 53 HE3 LYS 53 -5.150 31.502 -44.250 423 HZ1 LYS 53 HZ1 LYS 53 -6.500 33.111 -43.590 424 HZ2 LYS 53 HZ2 LYS 53 -5.417 33.475 -42.342 425 HZ3 LYS 53 HZ3 LYS 53 -6.705 32.414 -42.062 426 H GLU 54 H GLU 54 -4.303 27.402 -45.570 427 HA GLU 54 HA GLU 54 -5.685 28.101 -48.064 428 HB2 GLU 54 HB2 GLU 54 -3.007 28.836 -46.919 429 HB3 GLU 54 HB3 GLU 54 -3.323 29.005 -48.640 430 HG2 GLU 54 HG2 GLU 54 -5.216 30.209 -46.679 431 HG3 GLU 54 HG3 GLU 54 -3.685 31.013 -47.022 432 H PHE 55 H PHE 55 -3.047 26.132 -46.775 433 HA PHE 55 HA PHE 55 -2.925 24.702 -49.344 434 HB2 PHE 55 HB2 PHE 55 -0.858 24.501 -47.165 435 HB3 PHE 55 HB3 PHE 55 -0.688 24.122 -48.876 436 HD1 PHE 55 HD1 PHE 55 -0.912 26.097 -50.522 437 HD2 PHE 55 HD2 PHE 55 -0.153 26.548 -46.358 438 HE1 PHE 55 HE1 PHE 55 -0.013 28.351 -50.933 439 HE2 PHE 55 HE2 PHE 55 0.745 28.802 -46.763 440 HZ PHE 55 HZ PHE 55 0.816 29.707 -49.052 441 HA PRO 56 HA PRO 56 -5.057 21.507 -47.025 442 HB2 PRO 56 HB2 PRO 56 -5.475 19.899 -49.172 443 HB3 PRO 56 HB3 PRO 56 -6.466 21.322 -48.830 444 HG2 PRO 56 HG2 PRO 56 -4.185 21.017 -50.745 445 HG3 PRO 56 HG3 PRO 56 -5.738 21.840 -50.977 446 HD2 PRO 56 HD2 PRO 56 -3.453 23.175 -50.407 447 HD3 PRO 56 HD3 PRO 56 -5.046 23.732 -49.857 448 H ASN 57 H ASN 57 -2.152 21.334 -48.878 449 HA ASN 57 HA ASN 57 -1.485 18.645 -48.707 450 HB2 ASN 57 HB2 ASN 57 -0.253 20.799 -49.735 451 HB3 ASN 57 HB3 ASN 57 0.698 20.612 -48.265 452 HD21 ASN 57 HD21 ASN 57 0.832 17.935 -47.953 453 HD22 ASN 57 HD22 ASN 57 1.669 17.215 -49.283 454 H ALA 58 H ALA 58 -0.957 21.242 -46.354 455 HA ALA 58 HA ALA 58 0.528 19.821 -44.475 456 HB1 ALA 58 HB1 ALA 58 0.496 21.809 -43.496 457 HB2 ALA 58 HB2 ALA 58 -0.754 22.345 -44.620 458 HB3 ALA 58 HB3 ALA 58 -1.207 21.593 -43.091 459 H LYS 59 H LYS 59 -2.988 20.137 -44.817 460 HA LYS 59 HA LYS 59 -3.675 18.673 -42.507 461 HB2 LYS 59 HB2 LYS 59 -5.075 20.141 -44.296 462 HB3 LYS 59 HB3 LYS 59 -5.502 18.521 -44.831 463 HG2 LYS 59 HG2 LYS 59 -5.896 19.665 -42.075 464 HG3 LYS 59 HG3 LYS 59 -7.148 19.327 -43.272 465 HD2 LYS 59 HD2 LYS 59 -5.351 17.278 -41.973 466 HD3 LYS 59 HD3 LYS 59 -7.039 17.580 -41.555 467 HE2 LYS 59 HE2 LYS 59 -6.041 16.675 -44.254 468 HE3 LYS 59 HE3 LYS 59 -6.765 15.629 -43.034 469 HZ1 LYS 59 HZ1 LYS 59 -8.539 16.116 -44.392 470 HZ2 LYS 59 HZ2 LYS 59 -8.040 17.705 -44.684 471 HZ3 LYS 59 HZ3 LYS 59 -8.715 17.293 -43.189 472 H GLU 60 H GLU 60 -3.294 17.696 -45.898 473 HA GLU 60 HA GLU 60 -4.084 15.036 -45.645 474 HB2 GLU 60 HB2 GLU 60 -2.394 16.565 -47.548 475 HB3 GLU 60 HB3 GLU 60 -2.235 14.815 -47.575 476 HG2 GLU 60 HG2 GLU 60 -4.963 15.217 -47.549 477 HG3 GLU 60 HG3 GLU 60 -4.358 16.506 -48.587 478 H LEU 61 H LEU 61 -0.894 16.514 -45.202 479 HA LEU 61 HA LEU 61 0.487 14.092 -44.708 480 HB2 LEU 61 HB2 LEU 61 1.184 16.871 -43.771 481 HB3 LEU 61 HB3 LEU 61 2.280 15.494 -43.870 482 HG LEU 61 HG LEU 61 0.935 16.469 -46.351 483 HD11 LEU 61 HD11 LEU 61 3.557 17.644 -45.859 484 HD12 LEU 61 HD12 LEU 61 2.302 18.245 -44.777 485 HD13 LEU 61 HD13 LEU 61 2.093 18.369 -46.523 486 HD21 LEU 61 HD21 LEU 61 3.150 15.748 -47.288 487 HD22 LEU 61 HD22 LEU 61 2.182 14.458 -46.573 488 HD23 LEU 61 HD23 LEU 61 3.549 15.132 -45.684 489 H CYS 62 H CYS 62 -1.070 16.459 -42.593 490 HA CYS 62 HA CYS 62 -0.230 15.448 -40.132 491 HB2 CYS 62 HB2 CYS 62 -1.882 17.495 -40.970 492 HB3 CYS 62 HB3 CYS 62 -2.991 16.418 -40.128 493 H PHE 63 H PHE 63 -3.132 14.663 -42.029 494 HA PHE 63 HA PHE 63 -4.035 12.677 -40.182 495 HB2 PHE 63 HB2 PHE 63 -5.051 13.973 -42.512 496 HB3 PHE 63 HB3 PHE 63 -5.160 12.233 -42.760 497 HD1 PHE 63 HD1 PHE 63 -5.994 14.896 -40.305 498 HD2 PHE 63 HD2 PHE 63 -6.919 11.037 -41.844 499 HE1 PHE 63 HE1 PHE 63 -8.021 14.830 -38.912 500 HE2 PHE 63 HE2 PHE 63 -8.948 10.966 -40.454 501 HZ PHE 63 HZ PHE 63 -9.502 12.864 -38.986 502 H ALA 64 H ALA 64 -2.333 12.613 -43.284 503 HA ALA 64 HA ALA 64 -2.260 9.792 -43.533 504 HB1 ALA 64 HB1 ALA 64 -1.923 11.389 -45.406 505 HB2 ALA 64 HB2 ALA 64 -0.341 11.782 -44.733 506 HB3 ALA 64 HB3 ALA 64 -0.676 10.146 -45.301 507 H ASN 65 H ASN 65 -0.569 11.952 -41.523 508 HA ASN 65 HA ASN 65 1.950 10.903 -41.249 509 HB2 ASN 65 HB2 ASN 65 2.083 12.036 -39.246 510 HB3 ASN 65 HB3 ASN 65 0.690 12.837 -39.967 511 HD21 ASN 65 HD21 ASN 65 1.777 11.754 -37.170 512 HD22 ASN 65 HD22 ASN 65 0.307 11.255 -36.411 513 H CYS 66 H CYS 66 2.846 9.099 -40.436 514 HA CYS 66 HA CYS 66 1.725 7.436 -38.477 515 HB2 CYS 66 HB2 CYS 66 0.766 6.972 -41.178 516 HB3 CYS 66 HB3 CYS 66 1.583 5.553 -40.532 517 HA PRO 67 HA PRO 67 5.824 5.871 -38.482 518 HB2 PRO 67 HB2 PRO 67 5.460 3.387 -37.449 519 HB3 PRO 67 HB3 PRO 67 5.320 4.859 -36.481 520 HG2 PRO 67 HG2 PRO 67 3.162 3.193 -37.717 521 HG3 PRO 67 HG3 PRO 67 3.224 3.926 -36.103 522 HD2 PRO 67 HD2 PRO 67 1.828 5.022 -38.148 523 HD3 PRO 67 HD3 PRO 67 2.599 6.002 -36.884 524 HA PRO 68 HA PRO 68 6.710 3.388 -42.001 525 HB2 PRO 68 HB2 PRO 68 8.860 1.941 -41.191 526 HB3 PRO 68 HB3 PRO 68 8.942 3.673 -41.534 527 HG2 PRO 68 HG2 PRO 68 8.703 2.273 -38.899 528 HG3 PRO 68 HG3 PRO 68 9.720 3.656 -39.343 529 HD2 PRO 68 HD2 PRO 68 7.388 3.936 -37.996 530 HD3 PRO 68 HD3 PRO 68 7.985 5.159 -39.136 531 H LEU 69 H LEU 69 6.165 1.466 -42.922 532 HA LEU 69 HA LEU 69 5.220 -0.645 -41.105 533 HB2 LEU 69 HB2 LEU 69 4.478 -0.273 -43.997 534 HB3 LEU 69 HB3 LEU 69 3.706 -1.328 -42.815 535 HG LEU 69 HG LEU 69 3.258 1.003 -41.610 536 HD11 LEU 69 HD11 LEU 69 4.396 1.853 -43.992 537 HD12 LEU 69 HD12 LEU 69 3.470 2.832 -42.854 538 HD13 LEU 69 HD13 LEU 69 2.663 2.076 -44.228 539 HD21 LEU 69 HD21 LEU 69 1.108 1.054 -43.110 540 HD22 LEU 69 HD22 LEU 69 1.400 -0.285 -42.000 541 HD23 LEU 69 HD23 LEU 69 1.753 -0.470 -43.719 542 H GLU 70 H GLU 70 7.996 -0.237 -42.053 543 HA GLU 70 HA GLU 70 8.362 -2.893 -43.258 544 HB2 GLU 70 HB2 GLU 70 10.063 -2.109 -44.728 545 HB3 GLU 70 HB3 GLU 70 8.682 -1.041 -44.936 546 HG2 GLU 70 HG2 GLU 70 10.149 0.613 -44.707 547 HG3 GLU 70 HG3 GLU 70 10.104 0.235 -42.986 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.201 -3.363 -3.187 2 HA2 GLY 1 HA2 GLY 1 -7.879 -2.546 -4.553 3 HA3 GLY 1 HA3 GLY 1 -7.288 -3.805 -5.627 4 HA PRO 2 HA PRO 2 -11.041 -5.718 -3.240 5 HB2 PRO 2 HB2 PRO 2 -12.524 -4.003 -1.747 6 HB3 PRO 2 HB3 PRO 2 -11.151 -4.904 -1.094 7 HG2 PRO 2 HG2 PRO 2 -11.278 -2.066 -2.038 8 HG3 PRO 2 HG3 PRO 2 -10.483 -2.732 -0.600 9 HD2 PRO 2 HD2 PRO 2 -9.126 -2.114 -2.860 10 HD3 PRO 2 HD3 PRO 2 -8.646 -3.450 -1.793 11 H GLU 3 H GLU 3 -11.542 -2.284 -4.050 12 HA GLU 3 HA GLU 3 -13.727 -3.122 -5.841 13 HB2 GLU 3 HB2 GLU 3 -14.445 -1.808 -3.813 14 HB3 GLU 3 HB3 GLU 3 -13.523 -0.452 -4.446 15 HG2 GLU 3 HG2 GLU 3 -14.936 -0.670 -6.545 16 HG3 GLU 3 HG3 GLU 3 -15.974 -1.737 -5.600 17 H LYS 4 H LYS 4 -11.985 -3.345 -7.432 18 HA LYS 4 HA LYS 4 -11.706 -0.917 -8.965 19 HB2 LYS 4 HB2 LYS 4 -9.779 -0.727 -7.478 20 HB3 LYS 4 HB3 LYS 4 -9.257 -2.348 -7.916 21 HG2 LYS 4 HG2 LYS 4 -8.611 -1.695 -10.056 22 HG3 LYS 4 HG3 LYS 4 -9.561 -0.208 -9.989 23 HD2 LYS 4 HD2 LYS 4 -7.433 -0.528 -7.955 24 HD3 LYS 4 HD3 LYS 4 -6.910 -0.264 -9.620 25 HE2 LYS 4 HE2 LYS 4 -9.047 1.533 -8.993 26 HE3 LYS 4 HE3 LYS 4 -7.803 1.648 -7.750 27 HZ1 LYS 4 HZ1 LYS 4 -6.181 1.846 -9.659 28 HZ2 LYS 4 HZ2 LYS 4 -7.194 3.175 -9.397 29 HZ3 LYS 4 HZ3 LYS 4 -7.521 2.099 -10.660 30 H MET 5 H MET 5 -12.314 -1.561 -10.917 31 HA MET 5 HA MET 5 -11.181 -4.052 -11.989 32 HB2 MET 5 HB2 MET 5 -13.860 -3.716 -11.302 33 HB3 MET 5 HB3 MET 5 -13.828 -3.486 -13.045 34 HG2 MET 5 HG2 MET 5 -13.926 -5.692 -13.211 35 HG3 MET 5 HG3 MET 5 -12.250 -5.711 -12.666 36 HE1 MET 5 HE1 MET 5 -12.364 -7.791 -9.651 37 HE2 MET 5 HE2 MET 5 -12.084 -7.974 -11.383 38 HE3 MET 5 HE3 MET 5 -11.419 -6.584 -10.523 39 H GLU 6 H GLU 6 -10.493 -1.195 -12.313 40 HA GLU 6 HA GLU 6 -10.847 -1.028 -15.232 41 HB2 GLU 6 HB2 GLU 6 -11.791 0.801 -13.347 42 HB3 GLU 6 HB3 GLU 6 -10.332 1.542 -13.990 43 HG2 GLU 6 HG2 GLU 6 -11.271 1.967 -15.971 44 HG3 GLU 6 HG3 GLU 6 -12.086 0.406 -16.031 45 H VAL 7 H VAL 7 -8.983 -1.295 -16.247 46 HA VAL 7 HA VAL 7 -6.472 -0.932 -14.842 47 HB VAL 7 HB VAL 7 -6.923 -1.806 -17.698 48 HG11 VAL 7 HG11 VAL 7 -4.669 -2.734 -17.521 49 HG12 VAL 7 HG12 VAL 7 -4.665 -0.990 -17.251 50 HG13 VAL 7 HG13 VAL 7 -4.531 -2.096 -15.883 51 HG21 VAL 7 HG21 VAL 7 -6.860 -3.339 -15.124 52 HG22 VAL 7 HG22 VAL 7 -8.017 -3.442 -16.451 53 HG23 VAL 7 HG23 VAL 7 -6.392 -4.098 -16.645 54 H LYS 8 H LYS 8 -4.855 0.507 -15.395 55 HA LYS 8 HA LYS 8 -4.899 2.219 -17.629 56 HB2 LYS 8 HB2 LYS 8 -6.832 3.212 -16.477 57 HB3 LYS 8 HB3 LYS 8 -5.846 3.474 -15.045 58 HG2 LYS 8 HG2 LYS 8 -4.747 5.247 -15.950 59 HG3 LYS 8 HG3 LYS 8 -4.896 4.640 -17.601 60 HD2 LYS 8 HD2 LYS 8 -7.450 5.087 -17.203 61 HD3 LYS 8 HD3 LYS 8 -6.851 6.185 -15.957 62 HE2 LYS 8 HE2 LYS 8 -6.538 7.710 -17.543 63 HE3 LYS 8 HE3 LYS 8 -5.280 6.678 -18.220 64 HZ1 LYS 8 HZ1 LYS 8 -7.509 7.438 -19.519 65 HZ2 LYS 8 HZ2 LYS 8 -7.961 5.910 -18.952 66 HZ3 LYS 8 HZ3 LYS 8 -6.582 6.080 -19.917 67 H GLU 9 H GLU 9 -2.742 1.322 -17.451 68 HA GLU 9 HA GLU 9 -0.869 3.138 -16.454 69 HB2 GLU 9 HB2 GLU 9 0.164 1.668 -14.678 70 HB3 GLU 9 HB3 GLU 9 -1.357 2.432 -14.241 71 HG2 GLU 9 HG2 GLU 9 -1.921 -0.096 -15.415 72 HG3 GLU 9 HG3 GLU 9 -0.683 -0.307 -14.178 73 H ILE 10 H ILE 10 -1.593 -0.162 -17.385 74 HA ILE 10 HA ILE 10 1.021 -0.295 -18.742 75 HB ILE 10 HB ILE 10 -0.590 -2.650 -17.755 76 HG12 ILE 10 HG12 ILE 10 1.952 -2.366 -16.464 77 HG13 ILE 10 HG13 ILE 10 1.056 -0.861 -16.291 78 HG21 ILE 10 HG21 ILE 10 0.684 -3.420 -19.537 79 HG22 ILE 10 HG22 ILE 10 2.038 -2.357 -19.156 80 HG23 ILE 10 HG23 ILE 10 1.706 -3.760 -18.141 81 HD11 ILE 10 HD11 ILE 10 0.635 -2.311 -14.413 82 HD12 ILE 10 HD12 ILE 10 -0.836 -2.124 -15.368 83 HD13 ILE 10 HD13 ILE 10 0.114 -3.604 -15.492 84 H GLY 11 H GLY 11 -0.366 0.896 -20.397 85 HA2 GLY 11 HA2 GLY 11 -2.132 -0.891 -21.902 86 HA3 GLY 11 HA3 GLY 11 -1.955 0.840 -22.151 87 H ARG 12 H ARG 12 0.814 1.028 -22.373 88 HA ARG 12 HA ARG 12 2.466 0.923 -23.933 89 HB2 ARG 12 HB2 ARG 12 1.549 -1.844 -23.591 90 HB3 ARG 12 HB3 ARG 12 2.348 -1.544 -25.129 91 HG2 ARG 12 HG2 ARG 12 4.365 -1.030 -24.135 92 HG3 ARG 12 HG3 ARG 12 3.616 -0.619 -22.591 93 HD2 ARG 12 HD2 ARG 12 4.425 -2.652 -22.009 94 HD3 ARG 12 HD3 ARG 12 2.913 -3.195 -22.736 95 HE ARG 12 HE ARG 12 4.132 -4.218 -24.366 96 HH11 ARG 12 HH11 ARG 12 6.109 -1.772 -22.874 97 HH12 ARG 12 HH12 ARG 12 7.537 -2.202 -23.756 98 HH21 ARG 12 HH21 ARG 12 6.005 -4.795 -25.534 99 HH22 ARG 12 HH22 ARG 12 7.476 -3.921 -25.269 100 H SER 13 H SER 13 1.419 2.479 -25.254 101 HA SER 13 HA SER 13 -0.361 1.639 -27.354 102 HB2 SER 13 HB2 SER 13 -0.328 3.925 -26.160 103 HB3 SER 13 HB3 SER 13 1.026 4.310 -27.223 104 HG SER 13 HG SER 13 -0.456 4.805 -28.619 105 H SER 14 H SER 14 0.394 3.012 -29.559 106 HA SER 14 HA SER 14 2.955 1.755 -30.303 107 HB2 SER 14 HB2 SER 14 0.351 1.965 -31.778 108 HB3 SER 14 HB3 SER 14 1.861 1.846 -32.681 109 HG SER 14 HG SER 14 1.660 -0.215 -32.348 110 H LYS 15 H LYS 15 2.577 4.424 -29.237 111 HA LYS 15 HA LYS 15 2.644 6.354 -31.312 112 HB2 LYS 15 HB2 LYS 15 3.179 7.929 -29.639 113 HB3 LYS 15 HB3 LYS 15 2.155 6.742 -28.840 114 HG2 LYS 15 HG2 LYS 15 5.139 6.522 -28.734 115 HG3 LYS 15 HG3 LYS 15 4.257 7.575 -27.625 116 HD2 LYS 15 HD2 LYS 15 4.018 5.772 -26.328 117 HD3 LYS 15 HD3 LYS 15 2.845 5.205 -27.519 118 HE2 LYS 15 HE2 LYS 15 4.517 3.492 -27.029 119 HE3 LYS 15 HE3 LYS 15 4.610 4.019 -28.709 120 HZ1 LYS 15 HZ1 LYS 15 6.694 4.676 -28.421 121 HZ2 LYS 15 HZ2 LYS 15 6.675 3.924 -26.906 122 HZ3 LYS 15 HZ3 LYS 15 6.311 5.571 -27.037 123 H ILE 16 H ILE 16 4.365 7.405 -32.280 124 HA ILE 16 HA ILE 16 7.082 6.926 -31.614 125 HB ILE 16 HB ILE 16 7.348 5.894 -34.109 126 HG12 ILE 16 HG12 ILE 16 4.974 4.450 -32.926 127 HG13 ILE 16 HG13 ILE 16 4.825 5.661 -34.194 128 HG21 ILE 16 HG21 ILE 16 7.603 4.990 -31.394 129 HG22 ILE 16 HG22 ILE 16 7.126 3.656 -32.444 130 HG23 ILE 16 HG23 ILE 16 8.580 4.585 -32.805 131 HD11 ILE 16 HD11 ILE 16 5.759 2.882 -34.331 132 HD12 ILE 16 HD12 ILE 16 4.934 3.870 -35.536 133 HD13 ILE 16 HD13 ILE 16 6.672 4.044 -35.293 134 H ILE 17 H ILE 17 8.568 7.793 -33.374 135 HA ILE 17 HA ILE 17 7.232 10.032 -34.751 136 HB ILE 17 HB ILE 17 9.314 11.310 -34.502 137 HG12 ILE 17 HG12 ILE 17 10.639 9.045 -34.227 138 HG13 ILE 17 HG13 ILE 17 11.221 10.523 -33.468 139 HG21 ILE 17 HG21 ILE 17 8.075 10.249 -31.973 140 HG22 ILE 17 HG22 ILE 17 9.186 11.617 -32.013 141 HG23 ILE 17 HG23 ILE 17 7.643 11.709 -32.861 142 HD11 ILE 17 HD11 ILE 17 11.077 8.261 -32.146 143 HD12 ILE 17 HD12 ILE 17 10.715 9.802 -31.367 144 HD13 ILE 17 HD13 ILE 17 9.402 8.762 -31.918 145 H LEU 18 H LEU 18 8.468 10.869 -36.652 146 HA LEU 18 HA LEU 18 9.838 8.685 -38.077 147 HB2 LEU 18 HB2 LEU 18 7.447 9.228 -38.798 148 HB3 LEU 18 HB3 LEU 18 8.109 10.736 -39.426 149 HG LEU 18 HG LEU 18 9.051 8.011 -40.302 150 HD11 LEU 18 HD11 LEU 18 6.599 9.346 -40.909 151 HD12 LEU 18 HD12 LEU 18 7.205 7.802 -41.508 152 HD13 LEU 18 HD13 LEU 18 7.613 9.295 -42.352 153 HD21 LEU 18 HD21 LEU 18 9.752 10.799 -40.941 154 HD22 LEU 18 HD22 LEU 18 9.564 9.721 -42.324 155 HD23 LEU 18 HD23 LEU 18 10.719 9.328 -41.050 156 HA PRO 19 HA PRO 19 12.943 11.944 -38.142 157 HB2 PRO 19 HB2 PRO 19 14.949 10.322 -38.988 158 HB3 PRO 19 HB3 PRO 19 14.416 10.393 -37.304 159 HG2 PRO 19 HG2 PRO 19 13.726 8.397 -39.426 160 HG3 PRO 19 HG3 PRO 19 14.135 8.123 -37.723 161 HD2 PRO 19 HD2 PRO 19 11.584 8.108 -38.629 162 HD3 PRO 19 HD3 PRO 19 12.014 8.658 -36.997 163 H ALA 20 H ALA 20 13.822 13.167 -39.772 164 HA ALA 20 HA ALA 20 14.316 12.334 -42.396 165 HB1 ALA 20 HB1 ALA 20 11.535 13.069 -41.833 166 HB2 ALA 20 HB2 ALA 20 12.247 13.895 -43.219 167 HB3 ALA 20 HB3 ALA 20 12.218 12.133 -43.163 168 H CYS 21 H CYS 21 12.567 15.261 -41.403 169 HA CYS 21 HA CYS 21 15.056 16.796 -41.611 170 HB2 CYS 21 HB2 CYS 21 13.738 18.566 -42.875 171 HB3 CYS 21 HB3 CYS 21 14.145 17.110 -43.778 172 H MET 22 H MET 22 11.643 16.753 -40.683 173 HA MET 22 HA MET 22 12.245 18.779 -38.631 174 HB2 MET 22 HB2 MET 22 10.333 18.932 -40.562 175 HB3 MET 22 HB3 MET 22 9.417 18.219 -39.242 176 HG2 MET 22 HG2 MET 22 10.869 20.297 -38.085 177 HG3 MET 22 HG3 MET 22 10.282 20.933 -39.620 178 HE1 MET 22 HE1 MET 22 7.956 20.763 -40.426 179 HE2 MET 22 HE2 MET 22 6.565 21.049 -39.380 180 HE3 MET 22 HE3 MET 22 7.842 22.261 -39.501 181 H HIS 23 H HIS 23 10.093 18.467 -36.983 182 HA HIS 23 HA HIS 23 10.573 15.790 -35.864 183 HB2 HIS 23 HB2 HIS 23 9.941 18.447 -34.620 184 HB3 HIS 23 HB3 HIS 23 9.576 16.958 -33.754 185 HD1 HIS 23 HD1 HIS 23 11.631 18.880 -32.595 186 HD2 HIS 23 HD2 HIS 23 12.604 15.743 -35.138 187 HE1 HIS 23 HE1 HIS 23 14.052 18.373 -32.141 188 H GLU 24 H GLU 24 9.005 14.406 -36.360 189 HA GLU 24 HA GLU 24 6.217 15.346 -36.193 190 HB2 GLU 24 HB2 GLU 24 5.673 13.630 -37.920 191 HB3 GLU 24 HB3 GLU 24 6.707 14.925 -38.507 192 HG2 GLU 24 HG2 GLU 24 8.567 13.134 -37.739 193 HG3 GLU 24 HG3 GLU 24 7.253 12.054 -38.202 194 H THR 25 H THR 25 4.649 13.558 -35.762 195 HA THR 25 HA THR 25 5.657 11.186 -34.469 196 HB THR 25 HB THR 25 4.008 12.994 -32.723 197 HG1 THR 25 HG1 THR 25 5.811 13.944 -31.962 198 HG21 THR 25 HG21 THR 25 4.033 10.770 -31.938 199 HG22 THR 25 HG22 THR 25 5.239 11.613 -30.965 200 HG23 THR 25 HG23 THR 25 5.748 10.577 -32.298 201 H CYS 26 H CYS 26 3.880 9.798 -33.661 202 HA CYS 26 HA CYS 26 1.195 10.427 -34.514 203 HB2 CYS 26 HB2 CYS 26 2.723 9.403 -36.477 204 HB3 CYS 26 HB3 CYS 26 2.197 7.904 -35.716 205 H SER 27 H SER 27 -0.349 9.145 -33.542 206 HA SER 27 HA SER 27 0.243 6.681 -32.248 207 HB2 SER 27 HB2 SER 27 0.601 7.271 -30.088 208 HB3 SER 27 HB3 SER 27 1.110 8.810 -30.782 209 HG SER 27 HG SER 27 -0.873 8.385 -29.108 210 H GLY 28 H GLY 28 -1.588 5.548 -32.151 211 HA2 GLY 28 HA2 GLY 28 -4.127 6.947 -31.721 212 HA3 GLY 28 HA3 GLY 28 -3.949 6.004 -33.193 213 H GLY 29 H GLY 29 -4.932 5.941 -29.993 214 HA2 GLY 29 HA2 GLY 29 -6.246 3.859 -29.508 215 HA3 GLY 29 HA3 GLY 29 -4.778 2.990 -29.932 216 H PHE 30 H PHE 30 -4.826 5.978 -28.093 217 HA PHE 30 HA PHE 30 -4.838 4.894 -25.511 218 HB2 PHE 30 HB2 PHE 30 -2.780 3.782 -26.048 219 HB3 PHE 30 HB3 PHE 30 -2.099 5.254 -26.732 220 HD1 PHE 30 HD2 PHE 30 -3.197 3.665 -23.581 221 HD2 PHE 30 HD1 PHE 30 -0.966 6.808 -25.386 222 HE1 PHE 30 HE2 PHE 30 -2.219 4.223 -21.393 223 HE2 PHE 30 HE1 PHE 30 0.017 7.370 -23.202 224 HZ PHE 30 HZ PHE 30 -0.610 6.077 -21.201 225 H SER 31 H SER 31 -2.742 7.272 -27.149 226 HA SER 31 HA SER 31 -3.846 9.333 -25.359 227 HB2 SER 31 HB2 SER 31 -1.136 8.825 -26.445 228 HB3 SER 31 HB3 SER 31 -1.633 10.515 -26.362 229 HG SER 31 HG SER 31 -1.458 10.445 -24.269 230 H LEU 32 H LEU 32 -3.399 8.378 -28.651 231 HA LEU 32 HA LEU 32 -4.044 9.273 -30.640 232 HB2 LEU 32 HB2 LEU 32 -6.222 9.173 -29.450 233 HB3 LEU 32 HB3 LEU 32 -5.974 10.840 -28.936 234 HG LEU 32 HG LEU 32 -5.729 10.727 -31.772 235 HD11 LEU 32 HD11 LEU 32 -7.551 9.621 -32.545 236 HD12 LEU 32 HD12 LEU 32 -8.467 9.857 -31.056 237 HD13 LEU 32 HD13 LEU 32 -7.217 8.616 -31.134 238 HD21 LEU 32 HD21 LEU 32 -7.969 11.853 -30.102 239 HD22 LEU 32 HD22 LEU 32 -7.441 12.384 -31.700 240 HD23 LEU 32 HD23 LEU 32 -6.401 12.637 -30.297 241 H LYS 33 H LYS 33 -2.187 10.394 -31.173 242 HA LYS 33 HA LYS 33 -2.454 13.228 -31.379 243 HB2 LYS 33 HB2 LYS 33 -0.491 13.869 -30.085 244 HB3 LYS 33 HB3 LYS 33 -1.674 13.079 -29.051 245 HG2 LYS 33 HG2 LYS 33 -0.240 11.485 -28.478 246 HG3 LYS 33 HG3 LYS 33 0.214 11.186 -30.157 247 HD2 LYS 33 HD2 LYS 33 2.178 11.883 -28.994 248 HD3 LYS 33 HD3 LYS 33 1.674 13.219 -30.032 249 HE2 LYS 33 HE2 LYS 33 0.781 14.424 -28.200 250 HE3 LYS 33 HE3 LYS 33 0.887 13.023 -27.135 251 HZ1 LYS 33 HZ1 LYS 33 3.251 13.171 -27.139 252 HZ2 LYS 33 HZ2 LYS 33 2.647 14.708 -26.773 253 HZ3 LYS 33 HZ3 LYS 33 3.244 14.380 -28.322 254 H ASN 34 H ASN 34 -0.572 14.211 -32.509 255 HA ASN 34 HA ASN 34 1.439 12.586 -33.673 256 HB2 ASN 34 HB2 ASN 34 0.623 12.699 -36.027 257 HB3 ASN 34 HB3 ASN 34 -0.364 11.667 -34.997 258 HD21 ASN 34 HD21 ASN 34 -2.373 12.524 -34.208 259 HD22 ASN 34 HD22 ASN 34 -3.219 13.714 -35.131 260 H ASP 35 H ASP 35 3.032 13.818 -34.550 261 HA ASP 35 HA ASP 35 2.575 16.717 -34.555 262 HB2 ASP 35 HB2 ASP 35 4.851 14.985 -33.862 263 HB3 ASP 35 HB3 ASP 35 5.282 16.412 -34.799 264 H CYS 36 H CYS 36 2.566 17.829 -36.395 265 HA CYS 36 HA CYS 36 2.519 16.689 -38.905 266 HB2 CYS 36 HB2 CYS 36 2.770 19.424 -37.839 267 HB3 CYS 36 HB3 CYS 36 3.384 19.213 -39.476 268 H TRP 37 H TRP 37 4.071 17.326 -40.740 269 HA TRP 37 HA TRP 37 6.815 16.717 -39.858 270 HB2 TRP 37 HB2 TRP 37 7.148 15.699 -42.078 271 HB3 TRP 37 HB3 TRP 37 5.829 14.929 -41.200 272 HD1 TRP 37 HD1 TRP 37 3.279 15.715 -41.997 273 HE1 TRP 37 HE1 TRP 37 2.437 16.286 -44.362 274 HE3 TRP 37 HE3 TRP 37 7.771 16.634 -44.259 275 HZ2 TRP 37 HZ2 TRP 37 3.532 17.027 -46.856 276 HZ3 TRP 37 HZ3 TRP 37 7.786 17.268 -46.636 277 HH2 TRP 37 HH2 TRP 37 5.710 17.459 -47.906 278 H CYS 38 H CYS 38 8.189 17.251 -42.165 279 HA CYS 38 HA CYS 38 8.848 19.891 -42.009 280 HB2 CYS 38 HB2 CYS 38 8.917 18.239 -44.542 281 HB3 CYS 38 HB3 CYS 38 9.886 19.670 -44.208 282 H CYS 39 H CYS 39 8.362 21.775 -43.171 283 HA CYS 39 HA CYS 39 5.698 21.758 -44.427 284 HB2 CYS 39 HB2 CYS 39 6.560 23.224 -42.257 285 HB3 CYS 39 HB3 CYS 39 6.732 24.365 -43.586 286 H LEU 40 H LEU 40 5.764 24.285 -45.559 287 HA LEU 40 HA LEU 40 6.793 23.865 -48.065 288 HB2 LEU 40 HB2 LEU 40 5.420 25.888 -46.811 289 HB3 LEU 40 HB3 LEU 40 6.933 26.668 -47.266 290 HG LEU 40 HG LEU 40 5.098 25.231 -49.182 291 HD11 LEU 40 HD11 LEU 40 5.194 28.029 -48.216 292 HD12 LEU 40 HD12 LEU 40 3.827 27.065 -48.773 293 HD13 LEU 40 HD13 LEU 40 4.940 27.775 -49.943 294 HD21 LEU 40 HD21 LEU 40 6.814 27.111 -50.422 295 HD22 LEU 40 HD22 LEU 40 6.779 25.359 -50.622 296 HD23 LEU 40 HD23 LEU 40 7.803 26.085 -49.382 297 H ARG 41 H ARG 41 8.348 25.610 -45.388 298 HA ARG 41 HA ARG 41 10.936 24.753 -46.005 299 HB2 ARG 41 HB2 ARG 41 11.872 26.944 -46.825 300 HB3 ARG 41 HB3 ARG 41 10.877 26.074 -47.985 301 HG2 ARG 41 HG2 ARG 41 8.960 27.544 -47.266 302 HG3 ARG 41 HG3 ARG 41 10.148 28.510 -46.388 303 HD2 ARG 41 HD2 ARG 41 9.959 28.028 -49.350 304 HD3 ARG 41 HD3 ARG 41 9.856 29.561 -48.486 305 HE ARG 41 HE ARG 41 12.332 28.717 -47.868 306 HH11 ARG 41 HH11 ARG 41 10.636 29.002 -50.895 307 HH12 ARG 41 HH12 ARG 41 12.070 29.308 -51.819 308 HH21 ARG 41 HH21 ARG 41 14.226 29.119 -49.073 309 HH22 ARG 41 HH22 ARG 41 14.111 29.373 -50.782 310 H LEU 42 H LEU 42 11.979 24.885 -44.136 311 HA LEU 42 HA LEU 42 11.691 27.264 -42.470 312 HB2 LEU 42 HB2 LEU 42 11.511 25.650 -40.464 313 HB3 LEU 42 HB3 LEU 42 10.065 26.028 -41.399 314 HG LEU 42 HG LEU 42 11.347 23.677 -42.454 315 HD11 LEU 42 HD11 LEU 42 11.572 22.284 -40.686 316 HD12 LEU 42 HD12 LEU 42 10.333 23.104 -39.737 317 HD13 LEU 42 HD13 LEU 42 11.952 23.793 -39.856 318 HD21 LEU 42 HD21 LEU 42 9.128 23.887 -42.991 319 HD22 LEU 42 HD22 LEU 42 8.685 24.500 -41.398 320 HD23 LEU 42 HD23 LEU 42 9.023 22.783 -41.621 321 H LYS 43 H LYS 43 13.446 27.678 -41.142 322 HA LYS 43 HA LYS 43 15.839 26.098 -41.754 323 HB2 LYS 43 HB2 LYS 43 15.770 28.783 -40.388 324 HB3 LYS 43 HB3 LYS 43 17.127 28.014 -41.200 325 HG2 LYS 43 HG2 LYS 43 16.593 29.349 -42.907 326 HG3 LYS 43 HG3 LYS 43 15.311 28.175 -43.218 327 HD2 LYS 43 HD2 LYS 43 13.731 29.499 -41.970 328 HD3 LYS 43 HD3 LYS 43 15.002 30.619 -41.475 329 HE2 LYS 43 HE2 LYS 43 15.108 31.620 -43.530 330 HE3 LYS 43 HE3 LYS 43 14.578 30.171 -44.384 331 HZ1 LYS 43 HZ1 LYS 43 12.494 30.881 -44.338 332 HZ2 LYS 43 HZ2 LYS 43 13.043 32.358 -43.725 333 HZ3 LYS 43 HZ3 LYS 43 12.536 31.139 -42.667 334 H THR 44 H THR 44 13.838 27.205 -39.106 335 HA THR 44 HA THR 44 15.556 25.732 -37.220 336 HB THR 44 HB THR 44 15.351 28.062 -36.592 337 HG1 THR 44 HG1 THR 44 13.682 26.457 -34.926 338 HG21 THR 44 HG21 THR 44 13.170 28.431 -37.786 339 HG22 THR 44 HG22 THR 44 13.262 29.149 -36.178 340 HG23 THR 44 HG23 THR 44 12.368 27.650 -36.424 341 H LYS 45 H LYS 45 12.193 26.344 -38.148 342 HA LYS 45 HA LYS 45 11.341 23.715 -37.858 343 HB2 LYS 45 HB2 LYS 45 11.640 23.783 -35.521 344 HB3 LYS 45 HB3 LYS 45 10.996 25.415 -35.400 345 HG2 LYS 45 HG2 LYS 45 8.767 24.595 -35.916 346 HG3 LYS 45 HG3 LYS 45 9.400 22.957 -36.095 347 HD2 LYS 45 HD2 LYS 45 10.322 23.533 -33.639 348 HD3 LYS 45 HD3 LYS 45 8.870 24.537 -33.653 349 HE2 LYS 45 HE2 LYS 45 9.000 21.574 -34.206 350 HE3 LYS 45 HE3 LYS 45 8.390 22.333 -32.737 351 HZ1 LYS 45 HZ1 LYS 45 7.168 22.177 -35.393 352 HZ2 LYS 45 HZ2 LYS 45 6.845 23.544 -34.450 353 HZ3 LYS 45 HZ3 LYS 45 6.457 22.003 -33.867 354 H GLN 46 H GLN 46 10.545 27.119 -37.677 355 HA GLN 46 HA GLN 46 8.127 26.573 -39.254 356 HB2 GLN 46 HB2 GLN 46 6.949 28.374 -38.028 357 HB3 GLN 46 HB3 GLN 46 7.360 27.007 -37.001 358 HG2 GLN 46 HG2 GLN 46 8.277 28.438 -35.589 359 HG3 GLN 46 HG3 GLN 46 9.527 28.742 -36.793 360 HE21 GLN 46 HE21 GLN 46 9.744 30.744 -37.498 361 HE22 GLN 46 HE22 GLN 46 8.578 32.008 -37.331 362 H ALA 47 H ALA 47 7.490 28.254 -40.678 363 HA ALA 47 HA ALA 47 8.747 30.733 -40.943 364 HB1 ALA 47 HB1 ALA 47 9.998 29.970 -43.163 365 HB2 ALA 47 HB2 ALA 47 10.789 29.974 -41.586 366 HB3 ALA 47 HB3 ALA 47 10.147 28.470 -42.247 367 H ARG 48 H ARG 48 8.201 28.349 -43.520 368 HA ARG 48 HA ARG 48 5.887 29.953 -44.392 369 HB2 ARG 48 HB2 ARG 48 8.288 29.205 -45.815 370 HB3 ARG 48 HB3 ARG 48 6.865 28.563 -46.624 371 HG2 ARG 48 HG2 ARG 48 7.324 31.446 -45.888 372 HG3 ARG 48 HG3 ARG 48 7.475 30.746 -47.501 373 HD2 ARG 48 HD2 ARG 48 5.070 30.057 -47.321 374 HD3 ARG 48 HD3 ARG 48 4.979 31.001 -45.835 375 HE ARG 48 HE ARG 48 5.974 32.512 -48.053 376 HH11 ARG 48 HH11 ARG 48 3.095 31.356 -46.475 377 HH12 ARG 48 HH12 ARG 48 2.088 32.621 -47.098 378 HH21 ARG 48 HH21 ARG 48 4.659 34.183 -48.880 379 HH22 ARG 48 HH22 ARG 48 2.979 34.228 -48.466 380 H CYS 49 H CYS 49 4.030 28.889 -44.335 381 HA CYS 49 HA CYS 49 3.865 26.125 -45.165 382 HB2 CYS 49 HB2 CYS 49 4.232 26.623 -42.458 383 HB3 CYS 49 HB3 CYS 49 2.490 26.413 -42.611 384 H TRP 50 H TRP 50 1.425 25.394 -44.655 385 HA TRP 50 HA TRP 50 -0.279 27.621 -45.562 386 HB2 TRP 50 HB2 TRP 50 -1.679 25.727 -46.595 387 HB3 TRP 50 HB3 TRP 50 -0.158 26.140 -47.383 388 HD1 TRP 50 HD1 TRP 50 -1.990 23.269 -45.849 389 HE1 TRP 50 HE1 TRP 50 -0.496 21.173 -45.852 390 HE3 TRP 50 HE3 TRP 50 2.466 25.449 -47.086 391 HZ2 TRP 50 HZ2 TRP 50 2.212 20.528 -46.317 392 HZ3 TRP 50 HZ3 TRP 50 4.461 24.022 -47.289 393 HH2 TRP 50 HH2 TRP 50 4.335 21.613 -46.911 394 H LYS 51 H LYS 51 -2.146 28.013 -44.503 395 HA LYS 51 HA LYS 51 -2.544 26.821 -41.943 396 HB2 LYS 51 HB2 LYS 51 -4.469 28.600 -43.443 397 HB3 LYS 51 HB3 LYS 51 -4.387 28.343 -41.705 398 HG2 LYS 51 HG2 LYS 51 -1.884 29.252 -42.216 399 HG3 LYS 51 HG3 LYS 51 -2.825 30.126 -43.427 400 HD2 LYS 51 HD2 LYS 51 -3.940 31.348 -41.873 401 HD3 LYS 51 HD3 LYS 51 -3.947 30.036 -40.691 402 HE2 LYS 51 HE2 LYS 51 -1.342 31.297 -41.367 403 HE3 LYS 51 HE3 LYS 51 -2.470 32.215 -40.371 404 HZ1 LYS 51 HZ1 LYS 51 -1.245 31.052 -38.823 405 HZ2 LYS 51 HZ2 LYS 51 -1.135 29.659 -39.776 406 HZ3 LYS 51 HZ3 LYS 51 -2.593 30.047 -39.011 407 H GLU 52 H GLU 52 -3.935 25.269 -41.301 408 HA GLU 52 HA GLU 52 -5.012 23.482 -43.198 409 HB2 GLU 52 HB2 GLU 52 -5.914 23.645 -40.331 410 HB3 GLU 52 HB3 GLU 52 -5.811 22.226 -41.364 411 HG2 GLU 52 HG2 GLU 52 -3.218 23.163 -41.291 412 HG3 GLU 52 HG3 GLU 52 -3.809 23.432 -39.652 413 H LYS 53 H LYS 53 -6.256 26.338 -41.737 414 HA LYS 53 HA LYS 53 -9.032 25.749 -42.130 415 HB2 LYS 53 HB2 LYS 53 -9.383 28.127 -41.600 416 HB3 LYS 53 HB3 LYS 53 -8.340 27.341 -40.422 417 HG2 LYS 53 HG2 LYS 53 -6.428 28.270 -41.951 418 HG3 LYS 53 HG3 LYS 53 -7.680 29.404 -42.462 419 HD2 LYS 53 HD2 LYS 53 -7.924 29.388 -39.716 420 HD3 LYS 53 HD3 LYS 53 -6.180 29.271 -39.967 421 HE2 LYS 53 HE2 LYS 53 -6.243 31.497 -40.182 422 HE3 LYS 53 HE3 LYS 53 -6.910 31.186 -41.784 423 HZ1 LYS 53 HZ1 LYS 53 -8.138 32.431 -39.569 424 HZ2 LYS 53 HZ2 LYS 53 -9.027 31.058 -40.000 425 HZ3 LYS 53 HZ3 LYS 53 -8.721 32.262 -41.148 426 H GLU 54 H GLU 54 -6.543 27.486 -43.930 427 HA GLU 54 HA GLU 54 -8.455 28.122 -46.045 428 HB2 GLU 54 HB2 GLU 54 -5.573 28.908 -45.607 429 HB3 GLU 54 HB3 GLU 54 -6.483 29.333 -47.050 430 HG2 GLU 54 HG2 GLU 54 -8.181 30.328 -45.340 431 HG3 GLU 54 HG3 GLU 54 -6.791 30.321 -44.257 432 H PHE 55 H PHE 55 -6.334 25.666 -45.220 433 HA PHE 55 HA PHE 55 -6.424 24.616 -47.951 434 HB2 PHE 55 HB2 PHE 55 -3.987 25.223 -46.369 435 HB3 PHE 55 HB3 PHE 55 -3.997 23.698 -47.248 436 HD1 PHE 55 HD2 PHE 55 -4.725 27.316 -47.768 437 HD2 PHE 55 HD1 PHE 55 -3.276 23.675 -49.431 438 HE1 PHE 55 HE2 PHE 55 -4.107 28.507 -49.830 439 HE2 PHE 55 HE1 PHE 55 -2.655 24.861 -51.495 440 HZ PHE 55 HZ PHE 55 -3.071 27.280 -51.697 441 HA PRO 56 HA PRO 56 -7.935 21.232 -45.438 442 HB2 PRO 56 HB2 PRO 56 -8.686 19.685 -47.538 443 HB3 PRO 56 HB3 PRO 56 -9.646 21.052 -46.960 444 HG2 PRO 56 HG2 PRO 56 -7.750 20.911 -49.272 445 HG3 PRO 56 HG3 PRO 56 -9.347 21.676 -49.180 446 HD2 PRO 56 HD2 PRO 56 -7.044 23.086 -48.983 447 HD3 PRO 56 HD3 PRO 56 -8.527 23.554 -48.127 448 H ASN 57 H ASN 57 -5.589 21.075 -48.037 449 HA ASN 57 HA ASN 57 -4.791 18.406 -47.784 450 HB2 ASN 57 HB2 ASN 57 -3.920 20.718 -49.201 451 HB3 ASN 57 HB3 ASN 57 -2.514 20.011 -48.411 452 HD21 ASN 57 HD21 ASN 57 -2.524 17.509 -48.598 453 HD22 ASN 57 HD22 ASN 57 -2.806 16.903 -50.191 454 H ALA 58 H ALA 58 -3.934 21.263 -45.946 455 HA ALA 58 HA ALA 58 -1.671 20.340 -44.613 456 HB1 ALA 58 HB1 ALA 58 -3.342 21.922 -42.870 457 HB2 ALA 58 HB2 ALA 58 -1.793 22.322 -43.614 458 HB3 ALA 58 HB3 ALA 58 -3.294 22.599 -44.498 459 H LYS 59 H LYS 59 -5.091 20.090 -43.659 460 HA LYS 59 HA LYS 59 -4.591 18.647 -41.273 461 HB2 LYS 59 HB2 LYS 59 -6.675 19.883 -41.652 462 HB3 LYS 59 HB3 LYS 59 -7.097 18.787 -42.961 463 HG2 LYS 59 HG2 LYS 59 -6.638 17.110 -40.808 464 HG3 LYS 59 HG3 LYS 59 -7.474 18.498 -40.108 465 HD2 LYS 59 HD2 LYS 59 -9.259 17.201 -40.745 466 HD3 LYS 59 HD3 LYS 59 -9.049 18.195 -42.188 467 HE2 LYS 59 HE2 LYS 59 -7.469 16.259 -42.940 468 HE3 LYS 59 HE3 LYS 59 -8.357 15.322 -41.739 469 HZ1 LYS 59 HZ1 LYS 59 -10.427 16.083 -42.902 470 HZ2 LYS 59 HZ2 LYS 59 -9.455 15.018 -43.787 471 HZ3 LYS 59 HZ3 LYS 59 -9.440 16.672 -44.144 472 H GLU 60 H GLU 60 -5.340 17.667 -44.582 473 HA GLU 60 HA GLU 60 -5.689 14.920 -44.076 474 HB2 GLU 60 HB2 GLU 60 -5.930 16.530 -46.272 475 HB3 GLU 60 HB3 GLU 60 -4.485 15.611 -46.668 476 HG2 GLU 60 HG2 GLU 60 -5.611 13.605 -46.737 477 HG3 GLU 60 HG3 GLU 60 -6.920 14.184 -45.707 478 H LEU 61 H LEU 61 -2.827 16.775 -45.065 479 HA LEU 61 HA LEU 61 -1.075 14.563 -45.201 480 HB2 LEU 61 HB2 LEU 61 -0.419 17.455 -44.665 481 HB3 LEU 61 HB3 LEU 61 0.715 16.213 -45.191 482 HG LEU 61 HG LEU 61 -1.633 16.753 -46.927 483 HD11 LEU 61 HD11 LEU 61 0.770 18.568 -46.880 484 HD12 LEU 61 HD12 LEU 61 -0.814 18.995 -46.234 485 HD13 LEU 61 HD13 LEU 61 -0.625 18.665 -47.955 486 HD21 LEU 61 HD21 LEU 61 0.001 16.298 -48.674 487 HD22 LEU 61 HD22 LEU 61 -0.005 15.008 -47.471 488 HD23 LEU 61 HD23 LEU 61 1.285 16.213 -47.469 489 H CYS 62 H CYS 62 -1.803 16.882 -42.624 490 HA CYS 62 HA CYS 62 0.114 15.970 -40.779 491 HB2 CYS 62 HB2 CYS 62 -2.228 17.729 -40.745 492 HB3 CYS 62 HB3 CYS 62 -1.962 16.895 -39.218 493 H PHE 63 H PHE 63 -3.227 14.996 -41.383 494 HA PHE 63 HA PHE 63 -3.431 13.225 -39.180 495 HB2 PHE 63 HB2 PHE 63 -5.013 13.819 -41.610 496 HB3 PHE 63 HB3 PHE 63 -5.240 12.217 -40.916 497 HD1 PHE 63 HD1 PHE 63 -4.860 15.688 -39.586 498 HD2 PHE 63 HD2 PHE 63 -7.077 12.054 -39.568 499 HE1 PHE 63 HE1 PHE 63 -6.395 16.636 -37.913 500 HE2 PHE 63 HE2 PHE 63 -8.616 12.997 -37.896 501 HZ PHE 63 HZ PHE 63 -8.277 15.292 -37.067 502 H ALA 64 H ALA 64 -2.546 12.772 -42.575 503 HA ALA 64 HA ALA 64 -2.256 9.939 -42.372 504 HB1 ALA 64 HB1 ALA 64 -1.350 10.039 -44.595 505 HB2 ALA 64 HB2 ALA 64 -2.732 11.130 -44.495 506 HB3 ALA 64 HB3 ALA 64 -1.093 11.778 -44.457 507 H ASN 65 H ASN 65 -0.181 12.675 -41.812 508 HA ASN 65 HA ASN 65 2.340 11.593 -42.064 509 HB2 ASN 65 HB2 ASN 65 2.518 13.799 -41.524 510 HB3 ASN 65 HB3 ASN 65 1.141 13.750 -40.427 511 HD21 ASN 65 HD21 ASN 65 1.463 13.382 -38.287 512 HD22 ASN 65 HD22 ASN 65 3.026 13.259 -37.560 513 H CYS 66 H CYS 66 3.175 9.799 -41.248 514 HA CYS 66 HA CYS 66 3.054 9.244 -38.434 515 HB2 CYS 66 HB2 CYS 66 1.283 7.834 -40.316 516 HB3 CYS 66 HB3 CYS 66 2.227 6.777 -39.271 517 HA PRO 67 HA PRO 67 6.931 7.380 -39.307 518 HB2 PRO 67 HB2 PRO 67 7.113 5.589 -37.275 519 HB3 PRO 67 HB3 PRO 67 7.280 7.333 -37.037 520 HG2 PRO 67 HG2 PRO 67 4.899 5.578 -36.575 521 HG3 PRO 67 HG3 PRO 67 5.536 6.889 -35.564 522 HD2 PRO 67 HD2 PRO 67 3.413 7.220 -37.211 523 HD3 PRO 67 HD3 PRO 67 4.558 8.529 -36.854 524 HA PRO 68 HA PRO 68 6.561 3.580 -41.489 525 HB2 PRO 68 HB2 PRO 68 8.883 2.297 -40.908 526 HB3 PRO 68 HB3 PRO 68 8.806 3.717 -41.959 527 HG2 PRO 68 HG2 PRO 68 9.557 3.540 -39.067 528 HG3 PRO 68 HG3 PRO 68 10.322 4.473 -40.366 529 HD2 PRO 68 HD2 PRO 68 8.626 5.589 -38.574 530 HD3 PRO 68 HD3 PRO 68 8.752 6.157 -40.251 531 H LEU 69 H LEU 69 6.359 1.251 -41.319 532 HA LEU 69 HA LEU 69 5.493 0.442 -38.642 533 HB2 LEU 69 HB2 LEU 69 4.444 -1.476 -39.895 534 HB3 LEU 69 HB3 LEU 69 3.794 0.126 -40.237 535 HG LEU 69 HG LEU 69 5.908 -0.855 -42.059 536 HD11 LEU 69 HD11 LEU 69 3.509 -1.860 -43.107 537 HD12 LEU 69 HD12 LEU 69 3.614 -2.462 -41.453 538 HD13 LEU 69 HD13 LEU 69 4.928 -2.770 -42.588 539 HD21 LEU 69 HD21 LEU 69 4.371 1.311 -42.064 540 HD22 LEU 69 HD22 LEU 69 3.285 0.223 -42.929 541 HD23 LEU 69 HD23 LEU 69 4.905 0.534 -43.555 542 H GLU 70 H GLU 70 8.306 0.548 -39.328 543 HA GLU 70 HA GLU 70 8.998 -2.313 -39.279 544 HB2 GLU 70 HB2 GLU 70 10.057 -0.164 -40.781 545 HB3 GLU 70 HB3 GLU 70 11.291 -0.618 -39.614 546 HG2 GLU 70 HG2 GLU 70 11.838 -2.392 -40.810 547 HG3 GLU 70 HG3 GLU 70 10.175 -2.975 -40.781 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.859 12.000 -16.226 2 HA2 GLY 1 HA2 GLY 1 9.029 12.096 -14.285 3 HA3 GLY 1 HA3 GLY 1 7.450 12.598 -13.700 4 HA PRO 2 HA PRO 2 7.926 7.997 -13.122 5 HB2 PRO 2 HB2 PRO 2 7.246 7.999 -10.494 6 HB3 PRO 2 HB3 PRO 2 8.904 8.239 -11.057 7 HG2 PRO 2 HG2 PRO 2 6.884 10.273 -10.193 8 HG3 PRO 2 HG3 PRO 2 8.614 10.182 -9.813 9 HD2 PRO 2 HD2 PRO 2 7.625 11.835 -11.716 10 HD3 PRO 2 HD3 PRO 2 9.235 11.096 -11.835 11 H GLU 3 H GLU 3 5.488 10.269 -11.907 12 HA GLU 3 HA GLU 3 3.419 8.263 -12.527 13 HB2 GLU 3 HB2 GLU 3 3.785 9.107 -10.081 14 HB3 GLU 3 HB3 GLU 3 2.947 10.546 -10.643 15 HG2 GLU 3 HG2 GLU 3 1.430 8.332 -11.497 16 HG3 GLU 3 HG3 GLU 3 1.868 8.044 -9.813 17 H LYS 4 H LYS 4 3.794 9.266 -14.736 18 HA LYS 4 HA LYS 4 1.986 11.570 -15.042 19 HB2 LYS 4 HB2 LYS 4 4.699 11.603 -15.592 20 HB3 LYS 4 HB3 LYS 4 3.973 11.308 -17.166 21 HG2 LYS 4 HG2 LYS 4 4.086 13.608 -17.090 22 HG3 LYS 4 HG3 LYS 4 2.432 13.296 -16.560 23 HD2 LYS 4 HD2 LYS 4 2.869 14.484 -14.730 24 HD3 LYS 4 HD3 LYS 4 3.992 13.214 -14.238 25 HE2 LYS 4 HE2 LYS 4 5.831 14.382 -14.932 26 HE3 LYS 4 HE3 LYS 4 4.944 15.247 -16.186 27 HZ1 LYS 4 HZ1 LYS 4 4.171 16.796 -14.697 28 HZ2 LYS 4 HZ2 LYS 4 5.711 16.491 -14.070 29 HZ3 LYS 4 HZ3 LYS 4 4.352 15.782 -13.355 30 H MET 5 H MET 5 3.535 8.893 -16.816 31 HA MET 5 HA MET 5 1.032 8.586 -18.339 32 HB2 MET 5 HB2 MET 5 3.887 8.412 -19.133 33 HB3 MET 5 HB3 MET 5 2.786 7.260 -19.877 34 HG2 MET 5 HG2 MET 5 1.900 8.804 -21.208 35 HG3 MET 5 HG3 MET 5 1.747 9.970 -19.897 36 HE1 MET 5 HE1 MET 5 2.172 10.360 -22.791 37 HE2 MET 5 HE2 MET 5 2.802 11.949 -22.358 38 HE3 MET 5 HE3 MET 5 3.765 10.860 -23.358 39 H GLU 6 H GLU 6 -0.091 6.810 -17.914 40 HA GLU 6 HA GLU 6 1.147 4.257 -17.563 41 HB2 GLU 6 HB2 GLU 6 0.763 5.815 -15.233 42 HB3 GLU 6 HB3 GLU 6 -0.465 4.557 -15.208 43 HG2 GLU 6 HG2 GLU 6 1.019 2.945 -14.785 44 HG3 GLU 6 HG3 GLU 6 2.198 3.595 -15.922 45 H VAL 7 H VAL 7 -1.766 6.220 -17.172 46 HA VAL 7 HA VAL 7 -3.545 3.992 -17.561 47 HB VAL 7 HB VAL 7 -4.162 6.948 -17.658 48 HG11 VAL 7 HG11 VAL 7 -6.437 5.834 -16.844 49 HG12 VAL 7 HG12 VAL 7 -6.055 6.060 -18.552 50 HG13 VAL 7 HG13 VAL 7 -5.808 4.487 -17.793 51 HG21 VAL 7 HG21 VAL 7 -3.421 6.728 -15.503 52 HG22 VAL 7 HG22 VAL 7 -5.109 6.262 -15.295 53 HG23 VAL 7 HG23 VAL 7 -3.860 5.022 -15.408 54 H LYS 8 H LYS 8 -4.651 3.417 -19.379 55 HA LYS 8 HA LYS 8 -4.835 4.976 -21.726 56 HB2 LYS 8 HB2 LYS 8 -3.366 3.578 -23.183 57 HB3 LYS 8 HB3 LYS 8 -2.487 4.554 -22.013 58 HG2 LYS 8 HG2 LYS 8 -2.110 2.644 -20.614 59 HG3 LYS 8 HG3 LYS 8 -3.145 1.641 -21.634 60 HD2 LYS 8 HD2 LYS 8 -0.757 3.025 -22.795 61 HD3 LYS 8 HD3 LYS 8 -0.567 1.509 -21.912 62 HE2 LYS 8 HE2 LYS 8 -2.547 0.760 -23.498 63 HE3 LYS 8 HE3 LYS 8 -1.900 2.046 -24.516 64 HZ1 LYS 8 HZ1 LYS 8 -0.507 0.480 -25.238 65 HZ2 LYS 8 HZ2 LYS 8 -0.813 -0.554 -23.935 66 HZ3 LYS 8 HZ3 LYS 8 0.318 0.695 -23.776 67 H GLU 9 H GLU 9 -6.817 3.794 -20.485 68 HA GLU 9 HA GLU 9 -7.397 1.125 -21.056 69 HB2 GLU 9 HB2 GLU 9 -9.640 1.611 -20.472 70 HB3 GLU 9 HB3 GLU 9 -8.646 2.680 -19.493 71 HG2 GLU 9 HG2 GLU 9 -9.099 4.523 -21.008 72 HG3 GLU 9 HG3 GLU 9 -10.057 3.457 -22.035 73 H ILE 10 H ILE 10 -8.778 0.181 -22.640 74 HA ILE 10 HA ILE 10 -9.311 -0.279 -24.809 75 HB ILE 10 HB ILE 10 -10.028 2.630 -25.082 76 HG12 ILE 10 HG12 ILE 10 -10.897 1.875 -22.925 77 HG13 ILE 10 HG13 ILE 10 -12.212 2.083 -24.076 78 HG21 ILE 10 HG21 ILE 10 -10.572 0.163 -26.537 79 HG22 ILE 10 HG22 ILE 10 -12.022 1.097 -26.176 80 HG23 ILE 10 HG23 ILE 10 -10.694 1.841 -27.065 81 HD11 ILE 10 HD11 ILE 10 -11.473 -0.226 -22.575 82 HD12 ILE 10 HD12 ILE 10 -12.878 0.031 -23.612 83 HD13 ILE 10 HD13 ILE 10 -11.375 -0.587 -24.298 84 H GLY 11 H GLY 11 -6.617 0.148 -24.517 85 HA2 GLY 11 HA2 GLY 11 -5.839 1.900 -26.744 86 HA3 GLY 11 HA3 GLY 11 -4.754 1.245 -25.526 87 H ARG 12 H ARG 12 -7.025 -0.002 -27.981 88 HA ARG 12 HA ARG 12 -4.969 -1.983 -28.709 89 HB2 ARG 12 HB2 ARG 12 -7.981 -2.181 -28.877 90 HB3 ARG 12 HB3 ARG 12 -6.872 -3.373 -29.541 91 HG2 ARG 12 HG2 ARG 12 -6.822 -4.401 -27.586 92 HG3 ARG 12 HG3 ARG 12 -6.139 -2.952 -26.845 93 HD2 ARG 12 HD2 ARG 12 -8.102 -3.471 -25.626 94 HD3 ARG 12 HD3 ARG 12 -8.495 -2.085 -26.643 95 HE ARG 12 HE ARG 12 -9.161 -4.552 -27.905 96 HH11 ARG 12 HH11 ARG 12 -10.230 -2.252 -25.520 97 HH12 ARG 12 HH12 ARG 12 -11.906 -2.654 -25.694 98 HH21 ARG 12 HH21 ARG 12 -11.365 -5.090 -28.143 99 HH22 ARG 12 HH22 ARG 12 -12.550 -4.269 -27.185 100 H SER 13 H SER 13 -4.512 0.300 -29.897 101 HA SER 13 HA SER 13 -5.542 -0.072 -32.628 102 HB2 SER 13 HB2 SER 13 -5.183 2.536 -31.142 103 HB3 SER 13 HB3 SER 13 -5.403 2.437 -32.889 104 HG SER 13 HG SER 13 -7.355 1.094 -32.175 105 H SER 14 H SER 14 -2.943 -0.358 -30.770 106 HA SER 14 HA SER 14 -0.694 -0.405 -31.107 107 HB2 SER 14 HB2 SER 14 -1.759 -0.519 -33.909 108 HB3 SER 14 HB3 SER 14 -0.021 -0.396 -33.637 109 HG SER 14 HG SER 14 -0.127 -2.301 -32.425 110 H LYS 15 H LYS 15 -1.795 2.089 -30.503 111 HA LYS 15 HA LYS 15 -0.869 4.143 -32.229 112 HB2 LYS 15 HB2 LYS 15 -1.510 5.658 -30.539 113 HB3 LYS 15 HB3 LYS 15 -2.650 4.324 -30.414 114 HG2 LYS 15 HG2 LYS 15 -0.188 4.406 -28.713 115 HG3 LYS 15 HG3 LYS 15 -1.643 5.298 -28.261 116 HD2 LYS 15 HD2 LYS 15 -2.329 3.408 -27.289 117 HD3 LYS 15 HD3 LYS 15 -2.602 2.795 -28.921 118 HE2 LYS 15 HE2 LYS 15 -1.268 1.236 -27.595 119 HE3 LYS 15 HE3 LYS 15 -0.348 1.867 -28.959 120 HZ1 LYS 15 HZ1 LYS 15 0.755 1.765 -26.657 121 HZ2 LYS 15 HZ2 LYS 15 -0.154 3.149 -26.313 122 HZ3 LYS 15 HZ3 LYS 15 0.959 3.163 -27.587 123 H ILE 16 H ILE 16 0.967 5.408 -32.138 124 HA ILE 16 HA ILE 16 2.937 5.177 -30.101 125 HB ILE 16 HB ILE 16 4.636 4.336 -32.020 126 HG12 ILE 16 HG12 ILE 16 2.133 2.690 -32.433 127 HG13 ILE 16 HG13 ILE 16 2.714 3.907 -33.565 128 HG21 ILE 16 HG21 ILE 16 4.962 2.502 -30.690 129 HG22 ILE 16 HG22 ILE 16 4.038 3.526 -29.592 130 HG23 ILE 16 HG23 ILE 16 3.235 2.221 -30.465 131 HD11 ILE 16 HD11 ILE 16 4.907 2.279 -33.151 132 HD12 ILE 16 HD12 ILE 16 3.541 1.164 -33.208 133 HD13 ILE 16 HD13 ILE 16 3.834 2.271 -34.550 134 H ILE 17 H ILE 17 5.078 6.218 -30.904 135 HA ILE 17 HA ILE 17 4.365 8.487 -32.646 136 HB ILE 17 HB ILE 17 6.022 9.817 -31.420 137 HG12 ILE 17 HG12 ILE 17 7.247 7.593 -30.710 138 HG13 ILE 17 HG13 ILE 17 7.324 9.023 -29.687 139 HG21 ILE 17 HG21 ILE 17 4.779 9.681 -29.125 140 HG22 ILE 17 HG22 ILE 17 3.922 10.209 -30.572 141 HG23 ILE 17 HG23 ILE 17 3.731 8.556 -29.989 142 HD11 ILE 17 HD11 ILE 17 6.032 8.100 -28.068 143 HD12 ILE 17 HD12 ILE 17 5.123 7.101 -29.203 144 HD13 ILE 17 HD13 ILE 17 6.755 6.633 -28.726 145 H LEU 18 H LEU 18 6.244 9.504 -33.759 146 HA LEU 18 HA LEU 18 8.316 7.535 -34.456 147 HB2 LEU 18 HB2 LEU 18 6.700 7.511 -36.234 148 HB3 LEU 18 HB3 LEU 18 6.719 9.271 -36.331 149 HG LEU 18 HG LEU 18 7.991 7.797 -38.092 150 HD11 LEU 18 HD11 LEU 18 7.997 10.407 -37.462 151 HD12 LEU 18 HD12 LEU 18 8.992 9.711 -38.741 152 HD13 LEU 18 HD13 LEU 18 9.688 10.017 -37.150 153 HD21 LEU 18 HD21 LEU 18 10.105 7.082 -37.573 154 HD22 LEU 18 HD22 LEU 18 9.282 6.779 -36.042 155 HD23 LEU 18 HD23 LEU 18 10.283 8.219 -36.237 156 HA PRO 19 HA PRO 19 10.698 11.161 -33.255 157 HB2 PRO 19 HB2 PRO 19 13.064 9.837 -33.122 158 HB3 PRO 19 HB3 PRO 19 11.858 9.779 -31.832 159 HG2 PRO 19 HG2 PRO 19 12.409 7.791 -34.001 160 HG3 PRO 19 HG3 PRO 19 12.080 7.508 -32.282 161 HD2 PRO 19 HD2 PRO 19 10.189 7.204 -34.195 162 HD3 PRO 19 HD3 PRO 19 9.803 7.744 -32.548 163 H ALA 20 H ALA 20 12.081 12.524 -34.351 164 HA ALA 20 HA ALA 20 13.725 11.850 -36.507 165 HB1 ALA 20 HB1 ALA 20 10.907 12.236 -37.193 166 HB2 ALA 20 HB2 ALA 20 12.023 13.218 -38.142 167 HB3 ALA 20 HB3 ALA 20 12.205 11.464 -38.105 168 H CYS 21 H CYS 21 11.397 14.530 -36.368 169 HA CYS 21 HA CYS 21 13.574 16.334 -35.576 170 HB2 CYS 21 HB2 CYS 21 12.652 18.010 -37.233 171 HB3 CYS 21 HB3 CYS 21 13.489 16.631 -37.938 172 H MET 22 H MET 22 10.102 15.817 -35.952 173 HA MET 22 HA MET 22 9.660 17.725 -33.751 174 HB2 MET 22 HB2 MET 22 8.623 17.844 -36.352 175 HB3 MET 22 HB3 MET 22 7.294 17.273 -35.352 176 HG2 MET 22 HG2 MET 22 8.584 19.422 -34.007 177 HG3 MET 22 HG3 MET 22 8.252 19.907 -35.668 178 HE1 MET 22 HE1 MET 22 6.092 21.452 -35.814 179 HE2 MET 22 HE2 MET 22 6.044 19.972 -36.772 180 HE3 MET 22 HE3 MET 22 4.615 20.490 -35.875 181 H HIS 23 H HIS 23 7.038 17.195 -33.196 182 HA HIS 23 HA HIS 23 7.198 14.450 -32.165 183 HB2 HIS 23 HB2 HIS 23 6.103 16.987 -31.123 184 HB3 HIS 23 HB3 HIS 23 5.126 15.557 -30.802 185 HD1 HIS 23 HD1 HIS 23 5.771 16.046 -28.252 186 HD2 HIS 23 HD2 HIS 23 8.886 14.828 -30.717 187 HE1 HIS 23 HE1 HIS 23 7.614 15.324 -26.700 188 H GLU 24 H GLU 24 6.166 13.039 -33.421 189 HA GLU 24 HA GLU 24 3.504 13.784 -34.442 190 HB2 GLU 24 HB2 GLU 24 3.980 12.166 -36.324 191 HB3 GLU 24 HB3 GLU 24 4.910 13.658 -36.350 192 HG2 GLU 24 HG2 GLU 24 6.274 11.573 -34.884 193 HG3 GLU 24 HG3 GLU 24 5.897 11.081 -36.534 194 H THR 25 H THR 25 2.101 11.866 -34.887 195 HA THR 25 HA THR 25 2.694 9.475 -33.350 196 HB THR 25 HB THR 25 0.112 10.851 -32.695 197 HG1 THR 25 HG1 THR 25 2.667 11.343 -31.558 198 HG21 THR 25 HG21 THR 25 0.261 8.561 -32.018 199 HG22 THR 25 HG22 THR 25 0.449 9.553 -30.572 200 HG23 THR 25 HG23 THR 25 1.862 8.813 -31.324 201 H CYS 26 H CYS 26 1.037 7.795 -33.634 202 HA CYS 26 HA CYS 26 -0.924 8.162 -35.720 203 HB2 CYS 26 HB2 CYS 26 1.486 7.620 -36.705 204 HB3 CYS 26 HB3 CYS 26 1.022 5.975 -36.286 205 H SER 27 H SER 27 -2.487 6.558 -35.749 206 HA SER 27 HA SER 27 -2.189 4.097 -34.324 207 HB2 SER 27 HB2 SER 27 -2.489 5.736 -32.451 208 HB3 SER 27 HB3 SER 27 -4.071 6.139 -33.118 209 HG SER 27 HG SER 27 -4.552 4.580 -31.712 210 H GLY 28 H GLY 28 -3.218 2.782 -35.673 211 HA2 GLY 28 HA2 GLY 28 -5.878 3.613 -36.654 212 HA3 GLY 28 HA3 GLY 28 -4.713 2.820 -37.704 213 H GLY 29 H GLY 29 -7.445 2.293 -36.026 214 HA2 GLY 29 HA2 GLY 29 -7.651 -0.395 -36.399 215 HA3 GLY 29 HA3 GLY 29 -6.836 -0.263 -34.847 216 H PHE 30 H PHE 30 -8.126 2.028 -33.860 217 HA PHE 30 HA PHE 30 -10.974 1.613 -33.953 218 HB2 PHE 30 HB2 PHE 30 -10.220 -0.187 -32.411 219 HB3 PHE 30 HB3 PHE 30 -9.510 1.041 -31.368 220 HD1 PHE 30 HD2 PHE 30 -12.766 0.181 -32.968 221 HD2 PHE 30 HD1 PHE 30 -10.748 1.827 -29.601 222 HE1 PHE 30 HE2 PHE 30 -14.919 0.428 -31.803 223 HE2 PHE 30 HE1 PHE 30 -12.898 2.076 -28.430 224 HZ PHE 30 HZ PHE 30 -14.987 1.377 -29.531 225 H SER 31 H SER 31 -8.228 3.105 -32.304 226 HA SER 31 HA SER 31 -9.779 5.298 -31.288 227 HB2 SER 31 HB2 SER 31 -6.800 4.805 -31.446 228 HB3 SER 31 HB3 SER 31 -7.507 6.246 -30.715 229 HG SER 31 HG SER 31 -8.291 3.657 -29.911 230 H LEU 32 H LEU 32 -7.633 4.754 -34.030 231 HA LEU 32 HA LEU 32 -7.120 6.012 -35.860 232 HB2 LEU 32 HB2 LEU 32 -9.414 5.598 -36.402 233 HB3 LEU 32 HB3 LEU 32 -9.951 6.896 -35.337 234 HG LEU 32 HG LEU 32 -8.666 8.459 -36.916 235 HD11 LEU 32 HD11 LEU 32 -9.071 6.261 -38.909 236 HD12 LEU 32 HD12 LEU 32 -7.553 6.424 -38.028 237 HD13 LEU 32 HD13 LEU 32 -8.120 7.739 -39.057 238 HD21 LEU 32 HD21 LEU 32 -10.611 8.901 -38.034 239 HD22 LEU 32 HD22 LEU 32 -11.232 7.890 -36.728 240 HD23 LEU 32 HD23 LEU 32 -10.962 7.197 -38.327 241 H LYS 33 H LYS 33 -5.487 7.246 -34.856 242 HA LYS 33 HA LYS 33 -6.055 10.078 -34.816 243 HB2 LYS 33 HB2 LYS 33 -5.187 10.486 -32.582 244 HB3 LYS 33 HB3 LYS 33 -6.575 9.409 -32.501 245 HG2 LYS 33 HG2 LYS 33 -5.365 7.690 -31.703 246 HG3 LYS 33 HG3 LYS 33 -3.956 8.084 -32.690 247 HD2 LYS 33 HD2 LYS 33 -3.468 8.379 -30.319 248 HD3 LYS 33 HD3 LYS 33 -3.407 9.924 -31.171 249 HE2 LYS 33 HE2 LYS 33 -5.450 10.630 -30.265 250 HE3 LYS 33 HE3 LYS 33 -5.898 8.997 -29.778 251 HZ1 LYS 33 HZ1 LYS 33 -5.243 10.247 -27.859 252 HZ2 LYS 33 HZ2 LYS 33 -3.771 10.680 -28.572 253 HZ3 LYS 33 HZ3 LYS 33 -4.066 9.067 -28.154 254 H ASN 34 H ASN 34 -4.086 11.383 -34.691 255 HA ASN 34 HA ASN 34 -1.509 10.200 -34.764 256 HB2 ASN 34 HB2 ASN 34 -1.067 10.840 -37.204 257 HB3 ASN 34 HB3 ASN 34 -2.001 9.374 -36.921 258 HD21 ASN 34 HD21 ASN 34 -3.621 9.163 -38.266 259 HD22 ASN 34 HD22 ASN 34 -4.581 10.441 -38.923 260 H ASP 35 H ASP 35 0.069 11.717 -34.530 261 HA ASP 35 HA ASP 35 -0.837 14.498 -34.362 262 HB2 ASP 35 HB2 ASP 35 0.393 13.191 -32.462 263 HB3 ASP 35 HB3 ASP 35 1.840 13.546 -33.401 264 H CYS 36 H CYS 36 -0.095 16.062 -35.667 265 HA CYS 36 HA CYS 36 1.035 15.582 -38.115 266 HB2 CYS 36 HB2 CYS 36 0.764 17.985 -36.393 267 HB3 CYS 36 HB3 CYS 36 1.904 18.098 -37.730 268 H TRP 37 H TRP 37 3.169 16.329 -38.959 269 HA TRP 37 HA TRP 37 5.315 15.590 -37.079 270 HB2 TRP 37 HB2 TRP 37 6.560 14.714 -38.982 271 HB3 TRP 37 HB3 TRP 37 4.974 13.952 -38.898 272 HD1 TRP 37 HD1 TRP 37 3.070 15.225 -40.615 273 HE1 TRP 37 HE1 TRP 37 3.444 15.942 -43.059 274 HE3 TRP 37 HE3 TRP 37 8.178 15.422 -40.630 275 HZ2 TRP 37 HZ2 TRP 37 5.617 16.514 -44.767 276 HZ3 TRP 37 HZ3 TRP 37 9.328 16.062 -42.709 277 HH2 TRP 37 HH2 TRP 37 8.072 16.596 -44.734 278 H CYS 38 H CYS 38 7.487 16.311 -38.635 279 HA CYS 38 HA CYS 38 7.996 18.898 -37.967 280 HB2 CYS 38 HB2 CYS 38 9.018 17.533 -40.467 281 HB3 CYS 38 HB3 CYS 38 9.771 18.896 -39.645 282 H CYS 39 H CYS 39 8.139 20.880 -39.193 283 HA CYS 39 HA CYS 39 6.054 21.085 -41.267 284 HB2 CYS 39 HB2 CYS 39 6.096 22.333 -38.782 285 HB3 CYS 39 HB3 CYS 39 6.647 23.582 -39.894 286 H LEU 40 H LEU 40 6.528 23.720 -42.010 287 HA LEU 40 HA LEU 40 8.387 23.529 -44.005 288 HB2 LEU 40 HB2 LEU 40 6.689 25.477 -43.086 289 HB3 LEU 40 HB3 LEU 40 8.273 26.211 -42.851 290 HG LEU 40 HG LEU 40 7.460 25.041 -45.495 291 HD11 LEU 40 HD11 LEU 40 6.092 26.725 -45.956 292 HD12 LEU 40 HD12 LEU 40 7.274 27.910 -45.400 293 HD13 LEU 40 HD13 LEU 40 6.155 27.174 -44.252 294 HD21 LEU 40 HD21 LEU 40 9.141 26.608 -46.334 295 HD22 LEU 40 HD22 LEU 40 9.828 25.494 -45.152 296 HD23 LEU 40 HD23 LEU 40 9.455 27.155 -44.687 297 H ARG 41 H ARG 41 8.911 24.882 -40.759 298 HA ARG 41 HA ARG 41 11.539 23.939 -40.534 299 HB2 ARG 41 HB2 ARG 41 12.754 26.121 -40.688 300 HB3 ARG 41 HB3 ARG 41 12.164 25.514 -42.229 301 HG2 ARG 41 HG2 ARG 41 10.137 27.032 -41.827 302 HG3 ARG 41 HG3 ARG 41 11.142 27.806 -40.599 303 HD2 ARG 41 HD2 ARG 41 11.643 27.598 -43.557 304 HD3 ARG 41 HD3 ARG 41 11.434 29.056 -42.587 305 HE ARG 41 HE ARG 41 13.646 27.739 -41.572 306 HH11 ARG 41 HH11 ARG 41 12.681 29.197 -44.582 307 HH12 ARG 41 HH12 ARG 41 14.294 29.634 -45.038 308 HH21 ARG 41 HH21 ARG 41 15.775 28.308 -42.161 309 HH22 ARG 41 HH22 ARG 41 16.053 29.127 -43.661 310 H LEU 42 H LEU 42 12.059 23.936 -38.434 311 HA LEU 42 HA LEU 42 11.123 26.044 -36.670 312 HB2 LEU 42 HB2 LEU 42 10.310 24.194 -35.061 313 HB3 LEU 42 HB3 LEU 42 9.254 24.731 -36.367 314 HG LEU 42 HG LEU 42 10.852 22.494 -37.224 315 HD11 LEU 42 HD11 LEU 42 8.984 21.669 -35.070 316 HD12 LEU 42 HD12 LEU 42 10.588 22.234 -34.606 317 HD13 LEU 42 HD13 LEU 42 10.419 20.860 -35.699 318 HD21 LEU 42 HD21 LEU 42 7.980 23.263 -37.041 319 HD22 LEU 42 HD22 LEU 42 8.394 21.577 -37.351 320 HD23 LEU 42 HD23 LEU 42 8.948 22.839 -38.452 321 H LYS 43 H LYS 43 12.377 26.304 -34.857 322 HA LYS 43 HA LYS 43 14.839 24.721 -34.800 323 HB2 LYS 43 HB2 LYS 43 15.862 26.529 -33.681 324 HB3 LYS 43 HB3 LYS 43 14.847 27.267 -34.914 325 HG2 LYS 43 HG2 LYS 43 14.258 28.584 -33.179 326 HG3 LYS 43 HG3 LYS 43 13.108 27.276 -32.894 327 HD2 LYS 43 HD2 LYS 43 13.975 27.276 -30.818 328 HD3 LYS 43 HD3 LYS 43 15.288 26.358 -31.559 329 HE2 LYS 43 HE2 LYS 43 16.615 28.325 -31.812 330 HE3 LYS 43 HE3 LYS 43 15.267 29.363 -31.348 331 HZ1 LYS 43 HZ1 LYS 43 16.806 29.103 -29.523 332 HZ2 LYS 43 HZ2 LYS 43 16.660 27.419 -29.586 333 HZ3 LYS 43 HZ3 LYS 43 15.333 28.366 -29.133 334 H THR 44 H THR 44 12.033 25.520 -32.886 335 HA THR 44 HA THR 44 13.053 23.804 -30.717 336 HB THR 44 HB THR 44 12.640 26.074 -29.939 337 HG1 THR 44 HG1 THR 44 12.072 24.247 -28.579 338 HG21 THR 44 HG21 THR 44 10.529 27.158 -30.082 339 HG22 THR 44 HG22 THR 44 9.746 25.700 -30.693 340 HG23 THR 44 HG23 THR 44 10.898 26.572 -31.703 341 H LYS 45 H LYS 45 10.188 24.645 -32.620 342 HA LYS 45 HA LYS 45 9.291 22.034 -32.938 343 HB2 LYS 45 HB2 LYS 45 8.796 21.835 -30.641 344 HB3 LYS 45 HB3 LYS 45 8.140 23.464 -30.554 345 HG2 LYS 45 HG2 LYS 45 6.216 22.780 -31.873 346 HG3 LYS 45 HG3 LYS 45 6.881 21.151 -32.016 347 HD2 LYS 45 HD2 LYS 45 6.924 21.479 -29.329 348 HD3 LYS 45 HD3 LYS 45 5.515 22.454 -29.754 349 HE2 LYS 45 HE2 LYS 45 4.747 20.444 -31.120 350 HE3 LYS 45 HE3 LYS 45 5.996 19.532 -30.274 351 HZ1 LYS 45 HZ1 LYS 45 4.651 19.316 -28.547 352 HZ2 LYS 45 HZ2 LYS 45 3.425 20.116 -29.393 353 HZ3 LYS 45 HZ3 LYS 45 4.482 20.993 -28.405 354 H GLN 46 H GLN 46 8.475 25.424 -32.633 355 HA GLN 46 HA GLN 46 6.726 25.149 -34.977 356 HB2 GLN 46 HB2 GLN 46 5.197 26.839 -34.008 357 HB3 GLN 46 HB3 GLN 46 5.247 25.351 -33.072 358 HG2 GLN 46 HG2 GLN 46 5.637 26.576 -31.275 359 HG3 GLN 46 HG3 GLN 46 7.212 26.981 -31.956 360 HE21 GLN 46 HE21 GLN 46 3.831 27.932 -32.491 361 HE22 GLN 46 HE22 GLN 46 4.132 29.633 -32.495 362 H ALA 47 H ALA 47 6.587 27.012 -36.313 363 HA ALA 47 HA ALA 47 7.858 29.453 -35.845 364 HB1 ALA 47 HB1 ALA 47 9.764 28.869 -37.632 365 HB2 ALA 47 HB2 ALA 47 10.003 28.734 -35.889 366 HB3 ALA 47 HB3 ALA 47 9.619 27.299 -36.840 367 H ARG 48 H ARG 48 8.205 27.415 -38.733 368 HA ARG 48 HA ARG 48 6.299 29.193 -40.109 369 HB2 ARG 48 HB2 ARG 48 9.041 28.598 -40.726 370 HB3 ARG 48 HB3 ARG 48 8.009 28.012 -42.024 371 HG2 ARG 48 HG2 ARG 48 7.065 30.199 -42.335 372 HG3 ARG 48 HG3 ARG 48 7.935 30.814 -40.929 373 HD2 ARG 48 HD2 ARG 48 10.041 30.530 -42.023 374 HD3 ARG 48 HD3 ARG 48 9.288 29.665 -43.362 375 HE ARG 48 HE ARG 48 9.402 32.517 -42.979 376 HH11 ARG 48 HH11 ARG 48 7.737 29.886 -44.537 377 HH12 ARG 48 HH12 ARG 48 7.099 30.872 -45.810 378 HH21 ARG 48 HH21 ARG 48 8.568 33.825 -44.651 379 HH22 ARG 48 HH22 ARG 48 7.574 33.112 -45.875 380 H CYS 49 H CYS 49 4.533 28.193 -40.787 381 HA CYS 49 HA CYS 49 4.670 25.563 -41.979 382 HB2 CYS 49 HB2 CYS 49 4.164 25.674 -39.265 383 HB3 CYS 49 HB3 CYS 49 2.551 25.598 -39.965 384 H TRP 50 H TRP 50 2.203 24.856 -42.380 385 HA TRP 50 HA TRP 50 0.870 27.235 -43.499 386 HB2 TRP 50 HB2 TRP 50 -0.128 25.508 -45.133 387 HB3 TRP 50 HB3 TRP 50 1.555 25.976 -45.355 388 HD1 TRP 50 HD1 TRP 50 -0.622 22.988 -44.795 389 HE1 TRP 50 HE1 TRP 50 0.829 20.872 -44.592 390 HE3 TRP 50 HE3 TRP 50 3.971 25.193 -44.374 391 HZ2 TRP 50 HZ2 TRP 50 3.560 20.224 -44.293 392 HZ3 TRP 50 HZ3 TRP 50 5.952 23.753 -44.133 393 HH2 TRP 50 HH2 TRP 50 5.749 21.321 -44.092 394 H LYS 51 H LYS 51 -1.247 27.564 -43.069 395 HA LYS 51 HA LYS 51 -2.441 26.121 -40.919 396 HB2 LYS 51 HB2 LYS 51 -3.766 28.119 -42.757 397 HB3 LYS 51 HB3 LYS 51 -4.289 27.655 -41.143 398 HG2 LYS 51 HG2 LYS 51 -1.705 29.069 -41.768 399 HG3 LYS 51 HG3 LYS 51 -3.185 29.857 -41.216 400 HD2 LYS 51 HD2 LYS 51 -3.115 28.607 -39.142 401 HD3 LYS 51 HD3 LYS 51 -1.701 27.710 -39.700 402 HE2 LYS 51 HE2 LYS 51 -1.654 30.701 -39.542 403 HE3 LYS 51 HE3 LYS 51 -1.374 29.722 -38.103 404 HZ1 LYS 51 HZ1 LYS 51 0.682 29.284 -38.764 405 HZ2 LYS 51 HZ2 LYS 51 0.485 30.426 -39.997 406 HZ3 LYS 51 HZ3 LYS 51 0.172 28.791 -40.300 407 H GLU 52 H GLU 52 -3.653 24.352 -41.000 408 HA GLU 52 HA GLU 52 -4.199 22.983 -43.394 409 HB2 GLU 52 HB2 GLU 52 -3.989 21.917 -41.153 410 HB3 GLU 52 HB3 GLU 52 -5.545 22.608 -40.714 411 HG2 GLU 52 HG2 GLU 52 -5.910 21.244 -43.153 412 HG3 GLU 52 HG3 GLU 52 -4.980 20.183 -42.095 413 H LYS 53 H LYS 53 -5.799 25.579 -41.912 414 HA LYS 53 HA LYS 53 -8.448 25.011 -42.840 415 HB2 LYS 53 HB2 LYS 53 -8.924 27.348 -42.199 416 HB3 LYS 53 HB3 LYS 53 -8.122 26.453 -40.915 417 HG2 LYS 53 HG2 LYS 53 -5.994 27.546 -42.186 418 HG3 LYS 53 HG3 LYS 53 -7.220 28.791 -42.436 419 HD2 LYS 53 HD2 LYS 53 -7.686 28.655 -39.957 420 HD3 LYS 53 HD3 LYS 53 -6.236 27.657 -39.825 421 HE2 LYS 53 HE2 LYS 53 -4.935 29.458 -39.852 422 HE3 LYS 53 HE3 LYS 53 -5.664 30.013 -41.358 423 HZ1 LYS 53 HZ1 LYS 53 -6.482 30.634 -38.587 424 HZ2 LYS 53 HZ2 LYS 53 -7.543 30.848 -39.886 425 HZ3 LYS 53 HZ3 LYS 53 -6.086 31.705 -39.836 426 H GLU 54 H GLU 54 -5.716 26.904 -44.023 427 HA GLU 54 HA GLU 54 -7.241 27.571 -46.441 428 HB2 GLU 54 HB2 GLU 54 -4.691 28.708 -45.294 429 HB3 GLU 54 HB3 GLU 54 -5.301 29.128 -46.889 430 HG2 GLU 54 HG2 GLU 54 -7.490 29.666 -45.506 431 HG3 GLU 54 HG3 GLU 54 -6.316 29.878 -44.209 432 H PHE 55 H PHE 55 -5.004 25.363 -45.296 433 HA PHE 55 HA PHE 55 -4.171 24.708 -48.041 434 HB2 PHE 55 HB2 PHE 55 -2.515 25.147 -45.640 435 HB3 PHE 55 HB3 PHE 55 -2.123 23.695 -46.556 436 HD1 PHE 55 HD2 PHE 55 -2.755 27.332 -47.052 437 HD2 PHE 55 HD1 PHE 55 -0.667 23.851 -48.331 438 HE1 PHE 55 HE2 PHE 55 -1.473 28.693 -48.651 439 HE2 PHE 55 HE1 PHE 55 0.619 25.207 -49.932 440 HZ PHE 55 HZ PHE 55 0.216 27.631 -50.094 441 HA PRO 56 HA PRO 56 -6.242 20.933 -46.814 442 HB2 PRO 56 HB2 PRO 56 -6.081 19.761 -49.258 443 HB3 PRO 56 HB3 PRO 56 -7.277 21.002 -48.864 444 HG2 PRO 56 HG2 PRO 56 -4.673 21.274 -50.316 445 HG3 PRO 56 HG3 PRO 56 -6.247 21.998 -50.695 446 HD2 PRO 56 HD2 PRO 56 -4.272 23.373 -49.453 447 HD3 PRO 56 HD3 PRO 56 -5.992 23.676 -49.135 448 H ASN 57 H ASN 57 -3.103 21.266 -48.319 449 HA ASN 57 HA ASN 57 -2.257 18.599 -48.248 450 HB2 ASN 57 HB2 ASN 57 -1.070 21.181 -48.714 451 HB3 ASN 57 HB3 ASN 57 -0.003 20.206 -47.708 452 HD21 ASN 57 HD21 ASN 57 -0.134 17.758 -48.562 453 HD22 ASN 57 HD22 ASN 57 0.249 17.616 -50.240 454 H ALA 58 H ALA 58 -2.222 21.114 -45.782 455 HA ALA 58 HA ALA 58 -0.610 19.899 -43.873 456 HB1 ALA 58 HB1 ALA 58 -2.434 22.101 -43.972 457 HB2 ALA 58 HB2 ALA 58 -2.672 21.202 -42.473 458 HB3 ALA 58 HB3 ALA 58 -1.074 21.828 -42.882 459 H LYS 59 H LYS 59 -4.109 19.576 -44.387 460 HA LYS 59 HA LYS 59 -4.558 17.821 -42.213 461 HB2 LYS 59 HB2 LYS 59 -6.540 18.730 -42.900 462 HB3 LYS 59 HB3 LYS 59 -6.084 18.715 -44.599 463 HG2 LYS 59 HG2 LYS 59 -7.921 17.192 -44.188 464 HG3 LYS 59 HG3 LYS 59 -6.478 16.303 -44.683 465 HD2 LYS 59 HD2 LYS 59 -6.260 16.396 -41.934 466 HD3 LYS 59 HD3 LYS 59 -7.992 16.177 -42.198 467 HE2 LYS 59 HE2 LYS 59 -6.117 14.498 -43.777 468 HE3 LYS 59 HE3 LYS 59 -6.312 14.127 -42.064 469 HZ1 LYS 59 HZ1 LYS 59 -7.960 12.862 -42.978 470 HZ2 LYS 59 HZ2 LYS 59 -8.270 13.945 -44.239 471 HZ3 LYS 59 HZ3 LYS 59 -8.829 14.283 -42.679 472 H GLU 60 H GLU 60 -4.152 17.220 -45.699 473 HA GLU 60 HA GLU 60 -4.402 14.447 -45.639 474 HB2 GLU 60 HB2 GLU 60 -3.674 16.422 -47.539 475 HB3 GLU 60 HB3 GLU 60 -2.427 15.184 -47.577 476 HG2 GLU 60 HG2 GLU 60 -5.224 14.241 -47.574 477 HG3 GLU 60 HG3 GLU 60 -4.664 15.064 -49.029 478 H LEU 61 H LEU 61 -1.494 16.459 -45.318 479 HA LEU 61 HA LEU 61 0.324 14.312 -45.060 480 HB2 LEU 61 HB2 LEU 61 0.558 17.131 -44.019 481 HB3 LEU 61 HB3 LEU 61 1.884 15.984 -44.202 482 HG LEU 61 HG LEU 61 0.293 16.720 -46.612 483 HD11 LEU 61 HD11 LEU 61 2.498 18.446 -45.500 484 HD12 LEU 61 HD12 LEU 61 0.783 18.854 -45.450 485 HD13 LEU 61 HD13 LEU 61 1.606 18.692 -47.002 486 HD21 LEU 61 HD21 LEU 61 1.923 15.063 -46.974 487 HD22 LEU 61 HD22 LEU 61 3.127 15.919 -46.011 488 HD23 LEU 61 HD23 LEU 61 2.636 16.558 -47.580 489 H CYS 62 H CYS 62 -1.445 16.251 -42.687 490 HA CYS 62 HA CYS 62 -0.268 15.295 -40.358 491 HB2 CYS 62 HB2 CYS 62 -2.738 16.677 -41.078 492 HB3 CYS 62 HB3 CYS 62 -2.927 15.636 -39.670 493 H PHE 63 H PHE 63 -3.069 14.018 -42.132 494 HA PHE 63 HA PHE 63 -3.441 11.811 -40.358 495 HB2 PHE 63 HB2 PHE 63 -4.797 12.946 -42.617 496 HB3 PHE 63 HB3 PHE 63 -4.598 11.216 -42.875 497 HD1 PHE 63 HD2 PHE 63 -5.257 13.238 -39.812 498 HD2 PHE 63 HD1 PHE 63 -6.588 10.160 -42.434 499 HE1 PHE 63 HE2 PHE 63 -7.167 12.800 -38.324 500 HE2 PHE 63 HE1 PHE 63 -8.500 9.718 -40.950 501 HZ PHE 63 HZ PHE 63 -8.791 11.038 -38.891 502 H ALA 64 H ALA 64 -1.728 12.320 -43.379 503 HA ALA 64 HA ALA 64 -1.189 9.598 -43.946 504 HB1 ALA 64 HB1 ALA 64 0.093 12.168 -44.827 505 HB2 ALA 64 HB2 ALA 64 0.681 10.592 -45.360 506 HB3 ALA 64 HB3 ALA 64 -0.966 11.094 -45.743 507 H ASN 65 H ASN 65 0.363 11.984 -41.918 508 HA ASN 65 HA ASN 65 2.883 10.927 -41.582 509 HB2 ASN 65 HB2 ASN 65 2.613 12.926 -40.463 510 HB3 ASN 65 HB3 ASN 65 1.041 12.472 -39.812 511 HD21 ASN 65 HD21 ASN 65 0.921 11.356 -37.902 512 HD22 ASN 65 HD22 ASN 65 2.283 11.107 -36.869 513 H CYS 66 H CYS 66 3.732 9.169 -40.649 514 HA CYS 66 HA CYS 66 2.475 7.741 -38.529 515 HB2 CYS 66 HB2 CYS 66 1.928 6.918 -41.284 516 HB3 CYS 66 HB3 CYS 66 2.596 5.624 -40.295 517 HA PRO 67 HA PRO 67 6.558 6.269 -37.898 518 HB2 PRO 67 HB2 PRO 67 6.146 3.792 -36.866 519 HB3 PRO 67 HB3 PRO 67 5.806 5.276 -35.967 520 HG2 PRO 67 HG2 PRO 67 3.922 3.494 -37.463 521 HG3 PRO 67 HG3 PRO 67 3.716 4.260 -35.877 522 HD2 PRO 67 HD2 PRO 67 2.594 5.254 -38.132 523 HD3 PRO 67 HD3 PRO 67 3.130 6.292 -36.794 524 HA PRO 68 HA PRO 68 8.059 3.750 -41.174 525 HB2 PRO 68 HB2 PRO 68 10.100 2.389 -40.011 526 HB3 PRO 68 HB3 PRO 68 10.182 4.117 -40.375 527 HG2 PRO 68 HG2 PRO 68 9.581 2.755 -37.778 528 HG3 PRO 68 HG3 PRO 68 10.612 4.163 -38.090 529 HD2 PRO 68 HD2 PRO 68 8.091 4.388 -37.126 530 HD3 PRO 68 HD3 PRO 68 8.821 5.611 -38.186 531 H LEU 69 H LEU 69 8.987 1.325 -41.475 532 HA LEU 69 HA LEU 69 6.890 -0.438 -40.396 533 HB2 LEU 69 HB2 LEU 69 8.475 -1.045 -42.860 534 HB3 LEU 69 HB3 LEU 69 6.884 -1.639 -42.387 535 HG LEU 69 HG LEU 69 6.292 0.951 -42.687 536 HD11 LEU 69 HD11 LEU 69 7.571 1.365 -45.008 537 HD12 LEU 69 HD12 LEU 69 8.837 0.524 -44.115 538 HD13 LEU 69 HD13 LEU 69 8.132 2.002 -43.462 539 HD21 LEU 69 HD21 LEU 69 4.947 -0.460 -43.868 540 HD22 LEU 69 HD22 LEU 69 6.301 -1.366 -44.545 541 HD23 LEU 69 HD23 LEU 69 5.884 0.219 -45.199 542 H GLU 70 H GLU 70 9.476 0.202 -39.145 543 HA GLU 70 HA GLU 70 11.367 -1.825 -39.475 544 HB2 GLU 70 HB2 GLU 70 11.522 0.348 -38.106 545 HB3 GLU 70 HB3 GLU 70 10.759 -0.564 -36.811 546 HG2 GLU 70 HG2 GLU 70 12.608 -1.791 -36.393 547 HG3 GLU 70 HG3 GLU 70 13.118 -1.802 -38.080 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -1.994 3.923 -0.760 2 HA2 GLY 1 HA2 GLY 1 -0.043 5.971 -1.143 3 HA3 GLY 1 HA3 GLY 1 -0.650 5.375 -2.680 4 HA PRO 2 HA PRO 2 -3.419 8.801 -1.186 5 HB2 PRO 2 HB2 PRO 2 -3.396 10.174 -3.528 6 HB3 PRO 2 HB3 PRO 2 -2.181 10.407 -2.266 7 HG2 PRO 2 HG2 PRO 2 -2.018 8.782 -4.775 8 HG3 PRO 2 HG3 PRO 2 -0.804 9.857 -4.057 9 HD2 PRO 2 HD2 PRO 2 -0.707 7.165 -3.787 10 HD3 PRO 2 HD3 PRO 2 -0.120 8.272 -2.530 11 H GLU 3 H GLU 3 -3.327 7.212 -4.371 12 HA GLU 3 HA GLU 3 -6.091 6.415 -4.079 13 HB2 GLU 3 HB2 GLU 3 -6.686 7.379 -6.343 14 HB3 GLU 3 HB3 GLU 3 -6.525 8.541 -5.034 15 HG2 GLU 3 HG2 GLU 3 -4.365 9.217 -5.815 16 HG3 GLU 3 HG3 GLU 3 -4.357 7.940 -7.030 17 H LYS 4 H LYS 4 -4.208 4.640 -4.034 18 HA LYS 4 HA LYS 4 -3.442 2.719 -4.982 19 HB2 LYS 4 HB2 LYS 4 -5.920 3.144 -6.112 20 HB3 LYS 4 HB3 LYS 4 -4.885 2.945 -7.520 21 HG2 LYS 4 HG2 LYS 4 -4.734 0.985 -5.274 22 HG3 LYS 4 HG3 LYS 4 -6.038 0.880 -6.459 23 HD2 LYS 4 HD2 LYS 4 -4.015 1.106 -8.156 24 HD3 LYS 4 HD3 LYS 4 -3.117 0.432 -6.794 25 HE2 LYS 4 HE2 LYS 4 -3.766 -1.469 -7.935 26 HE3 LYS 4 HE3 LYS 4 -5.040 -1.312 -6.727 27 HZ1 LYS 4 HZ1 LYS 4 -5.216 -0.395 -9.546 28 HZ2 LYS 4 HZ2 LYS 4 -6.440 -0.258 -8.387 29 HZ3 LYS 4 HZ3 LYS 4 -5.944 -1.786 -8.917 30 H MET 5 H MET 5 -1.338 3.089 -5.420 31 HA MET 5 HA MET 5 -0.536 4.719 -7.669 32 HB2 MET 5 HB2 MET 5 0.652 3.872 -5.243 33 HB3 MET 5 HB3 MET 5 1.644 3.232 -6.547 34 HG2 MET 5 HG2 MET 5 1.821 5.489 -7.496 35 HG3 MET 5 HG3 MET 5 0.875 6.113 -6.147 36 HE1 MET 5 HE1 MET 5 3.716 7.324 -6.903 37 HE2 MET 5 HE2 MET 5 2.719 7.875 -5.557 38 HE3 MET 5 HE3 MET 5 4.420 7.485 -5.294 39 H GLU 6 H GLU 6 1.039 3.900 -9.271 40 HA GLU 6 HA GLU 6 1.508 2.530 -11.027 41 HB2 GLU 6 HB2 GLU 6 1.493 0.657 -8.689 42 HB3 GLU 6 HB3 GLU 6 1.705 0.020 -10.313 43 HG2 GLU 6 HG2 GLU 6 3.873 0.385 -9.991 44 HG3 GLU 6 HG3 GLU 6 3.494 2.085 -10.264 45 H VAL 7 H VAL 7 -0.606 3.114 -11.909 46 HA VAL 7 HA VAL 7 -2.564 0.920 -11.815 47 HB VAL 7 HB VAL 7 -3.391 3.181 -11.195 48 HG11 VAL 7 HG11 VAL 7 -1.858 4.053 -13.298 49 HG12 VAL 7 HG12 VAL 7 -3.498 4.159 -13.940 50 HG13 VAL 7 HG13 VAL 7 -3.077 5.004 -12.450 51 HG21 VAL 7 HG21 VAL 7 -5.416 3.062 -12.475 52 HG22 VAL 7 HG22 VAL 7 -4.609 2.163 -13.759 53 HG23 VAL 7 HG23 VAL 7 -4.852 1.417 -12.179 54 H LYS 8 H LYS 8 -3.475 0.123 -13.745 55 HA LYS 8 HA LYS 8 -2.009 0.795 -16.207 56 HB2 LYS 8 HB2 LYS 8 -2.202 -1.653 -16.810 57 HB3 LYS 8 HB3 LYS 8 -1.068 -1.276 -15.520 58 HG2 LYS 8 HG2 LYS 8 -2.527 -2.103 -13.861 59 HG3 LYS 8 HG3 LYS 8 -3.886 -2.170 -14.986 60 HD2 LYS 8 HD2 LYS 8 -3.277 -4.180 -15.768 61 HD3 LYS 8 HD3 LYS 8 -1.575 -3.724 -15.865 62 HE2 LYS 8 HE2 LYS 8 -1.883 -3.884 -13.189 63 HE3 LYS 8 HE3 LYS 8 -3.059 -5.089 -13.713 64 HZ1 LYS 8 HZ1 LYS 8 -1.212 -6.376 -13.629 65 HZ2 LYS 8 HZ2 LYS 8 -0.149 -5.103 -13.959 66 HZ3 LYS 8 HZ3 LYS 8 -1.034 -5.812 -15.214 67 H GLU 9 H GLU 9 -3.239 -0.517 -18.098 68 HA GLU 9 HA GLU 9 -6.104 -0.534 -17.794 69 HB2 GLU 9 HB2 GLU 9 -6.566 1.191 -19.452 70 HB3 GLU 9 HB3 GLU 9 -5.672 1.865 -18.097 71 HG2 GLU 9 HG2 GLU 9 -3.915 0.938 -20.203 72 HG3 GLU 9 HG3 GLU 9 -5.068 2.142 -20.776 73 H ILE 10 H ILE 10 -6.934 -0.476 -20.364 74 HA ILE 10 HA ILE 10 -5.724 -2.900 -21.429 75 HB ILE 10 HB ILE 10 -8.146 -1.439 -22.479 76 HG12 ILE 10 HG12 ILE 10 -8.845 -3.803 -21.051 77 HG13 ILE 10 HG13 ILE 10 -7.823 -2.825 -20.004 78 HG21 ILE 10 HG21 ILE 10 -6.933 -4.133 -22.956 79 HG22 ILE 10 HG22 ILE 10 -8.656 -3.863 -23.211 80 HG23 ILE 10 HG23 ILE 10 -7.473 -2.929 -24.126 81 HD11 ILE 10 HD11 ILE 10 -10.277 -1.805 -21.411 82 HD12 ILE 10 HD12 ILE 10 -10.240 -2.385 -19.745 83 HD13 ILE 10 HD13 ILE 10 -9.309 -0.959 -20.204 84 H GLY 11 H GLY 11 -3.802 -1.298 -21.856 85 HA2 GLY 11 HA2 GLY 11 -4.043 0.367 -24.183 86 HA3 GLY 11 HA3 GLY 11 -2.553 -0.058 -23.354 87 H ARG 12 H ARG 12 -4.658 -0.757 -25.982 88 HA ARG 12 HA ARG 12 -2.682 -2.663 -27.015 89 HB2 ARG 12 HB2 ARG 12 -4.578 -4.021 -27.957 90 HB3 ARG 12 HB3 ARG 12 -4.413 -4.091 -26.207 91 HG2 ARG 12 HG2 ARG 12 -6.413 -3.144 -25.854 92 HG3 ARG 12 HG3 ARG 12 -6.216 -1.995 -27.179 93 HD2 ARG 12 HD2 ARG 12 -7.007 -3.500 -28.766 94 HD3 ARG 12 HD3 ARG 12 -6.695 -4.897 -27.736 95 HE ARG 12 HE ARG 12 -8.661 -3.147 -26.628 96 HH11 ARG 12 HH11 ARG 12 -8.145 -5.697 -28.940 97 HH12 ARG 12 HH12 ARG 12 -9.786 -6.253 -28.889 98 HH21 ARG 12 HH21 ARG 12 -10.824 -3.869 -26.552 99 HH22 ARG 12 HH22 ARG 12 -11.308 -5.211 -27.531 100 H SER 13 H SER 13 -2.152 -0.516 -28.052 101 HA SER 13 HA SER 13 -3.756 -0.192 -30.504 102 HB2 SER 13 HB2 SER 13 -2.289 2.192 -30.016 103 HB3 SER 13 HB3 SER 13 -4.038 1.971 -30.003 104 HG SER 13 HG SER 13 -2.261 1.622 -27.817 105 H SER 14 H SER 14 -2.313 1.164 -32.150 106 HA SER 14 HA SER 14 0.331 -0.136 -32.240 107 HB2 SER 14 HB2 SER 14 -0.725 0.583 -34.855 108 HB3 SER 14 HB3 SER 14 -0.092 -0.962 -34.287 109 HG SER 14 HG SER 14 -2.452 -0.728 -34.913 110 H LYS 15 H LYS 15 -0.310 2.465 -31.156 111 HA LYS 15 HA LYS 15 0.323 4.518 -33.006 112 HB2 LYS 15 HB2 LYS 15 0.391 5.975 -31.151 113 HB3 LYS 15 HB3 LYS 15 -0.817 4.764 -30.741 114 HG2 LYS 15 HG2 LYS 15 2.022 4.469 -29.842 115 HG3 LYS 15 HG3 LYS 15 0.878 5.474 -28.949 116 HD2 LYS 15 HD2 LYS 15 0.282 3.601 -27.885 117 HD3 LYS 15 HD3 LYS 15 -0.523 3.135 -29.385 118 HE2 LYS 15 HE2 LYS 15 0.940 1.357 -28.571 119 HE3 LYS 15 HE3 LYS 15 1.497 1.984 -30.122 120 HZ1 LYS 15 HZ1 LYS 15 2.701 3.430 -28.020 121 HZ2 LYS 15 HZ2 LYS 15 3.438 2.490 -29.218 122 HZ3 LYS 15 HZ3 LYS 15 2.944 1.775 -27.766 123 H ILE 16 H ILE 16 2.244 5.573 -33.423 124 HA ILE 16 HA ILE 16 4.677 5.026 -32.072 125 HB ILE 16 HB ILE 16 5.622 4.093 -34.429 126 HG12 ILE 16 HG12 ILE 16 2.996 2.651 -34.053 127 HG13 ILE 16 HG13 ILE 16 3.225 3.929 -35.242 128 HG21 ILE 16 HG21 ILE 16 4.550 2.067 -32.537 129 HG22 ILE 16 HG22 ILE 16 6.152 2.205 -33.258 130 HG23 ILE 16 HG23 ILE 16 5.692 3.264 -31.925 131 HD11 ILE 16 HD11 ILE 16 3.724 2.233 -36.608 132 HD12 ILE 16 HD12 ILE 16 5.304 2.299 -35.826 133 HD13 ILE 16 HD13 ILE 16 4.097 1.136 -35.278 134 H ILE 17 H ILE 17 6.595 5.899 -33.396 135 HA ILE 17 HA ILE 17 5.681 8.289 -34.858 136 HB ILE 17 HB ILE 17 7.768 9.378 -34.146 137 HG12 ILE 17 HG12 ILE 17 8.844 6.987 -33.794 138 HG13 ILE 17 HG13 ILE 17 9.392 8.373 -32.858 139 HG21 ILE 17 HG21 ILE 17 7.195 9.541 -31.704 140 HG22 ILE 17 HG22 ILE 17 5.854 9.820 -32.814 141 HG23 ILE 17 HG23 ILE 17 5.999 8.275 -31.977 142 HD11 ILE 17 HD11 ILE 17 8.848 6.081 -31.714 143 HD12 ILE 17 HD12 ILE 17 8.454 7.609 -30.925 144 HD13 ILE 17 HD13 ILE 17 7.197 6.698 -31.763 145 H LEU 18 H LEU 18 7.285 9.153 -36.442 146 HA LEU 18 HA LEU 18 8.962 7.081 -37.657 147 HB2 LEU 18 HB2 LEU 18 6.868 6.949 -38.843 148 HB3 LEU 18 HB3 LEU 18 6.856 8.694 -39.088 149 HG LEU 18 HG LEU 18 7.514 7.097 -41.038 150 HD11 LEU 18 HD11 LEU 18 8.242 8.952 -42.051 151 HD12 LEU 18 HD12 LEU 18 9.542 9.195 -40.885 152 HD13 LEU 18 HD13 LEU 18 7.909 9.748 -40.513 153 HD21 LEU 18 HD21 LEU 18 9.335 6.135 -39.373 154 HD22 LEU 18 HD22 LEU 18 10.283 7.468 -40.032 155 HD23 LEU 18 HD23 LEU 18 9.623 6.237 -41.110 156 HA PRO 19 HA PRO 19 11.554 10.753 -37.517 157 HB2 PRO 19 HB2 PRO 19 13.857 9.423 -38.062 158 HB3 PRO 19 HB3 PRO 19 13.123 9.454 -36.454 159 HG2 PRO 19 HG2 PRO 19 12.982 7.331 -38.560 160 HG3 PRO 19 HG3 PRO 19 13.220 7.158 -36.811 161 HD2 PRO 19 HD2 PRO 19 10.823 6.750 -38.002 162 HD3 PRO 19 HD3 PRO 19 10.973 7.394 -36.355 163 H ALA 20 H ALA 20 12.455 12.049 -39.081 164 HA ALA 20 HA ALA 20 13.356 11.229 -41.601 165 HB1 ALA 20 HB1 ALA 20 10.447 11.749 -41.397 166 HB2 ALA 20 HB2 ALA 20 11.289 12.403 -42.803 167 HB3 ALA 20 HB3 ALA 20 11.336 10.671 -42.473 168 H CYS 21 H CYS 21 11.152 13.920 -40.867 169 HA CYS 21 HA CYS 21 13.410 15.763 -41.304 170 HB2 CYS 21 HB2 CYS 21 11.869 16.094 -43.076 171 HB3 CYS 21 HB3 CYS 21 10.486 16.019 -41.990 172 H MET 22 H MET 22 10.653 14.965 -39.307 173 HA MET 22 HA MET 22 11.754 16.535 -37.141 174 HB2 MET 22 HB2 MET 22 9.824 17.725 -38.741 175 HB3 MET 22 HB3 MET 22 8.908 17.114 -37.371 176 HG2 MET 22 HG2 MET 22 10.903 18.255 -36.037 177 HG3 MET 22 HG3 MET 22 10.953 19.245 -37.493 178 HE1 MET 22 HE1 MET 22 9.447 20.789 -34.277 179 HE2 MET 22 HE2 MET 22 8.625 19.269 -33.927 180 HE3 MET 22 HE3 MET 22 10.335 19.268 -34.361 181 H HIS 23 H HIS 23 9.647 16.465 -35.386 182 HA HIS 23 HA HIS 23 9.489 13.613 -34.835 183 HB2 HIS 23 HB2 HIS 23 8.987 16.098 -33.225 184 HB3 HIS 23 HB3 HIS 23 8.389 14.539 -32.666 185 HD1 HIS 23 HD1 HIS 23 10.528 12.630 -32.839 186 HD2 HIS 23 HD2 HIS 23 11.370 16.630 -32.098 187 HE1 HIS 23 HE1 HIS 23 12.810 12.652 -31.782 188 H GLU 24 H GLU 24 7.868 12.567 -35.798 189 HA GLU 24 HA GLU 24 5.187 13.786 -35.691 190 HB2 GLU 24 HB2 GLU 24 4.692 12.471 -37.780 191 HB3 GLU 24 HB3 GLU 24 5.835 13.791 -37.984 192 HG2 GLU 24 HG2 GLU 24 7.667 12.070 -37.725 193 HG3 GLU 24 HG3 GLU 24 6.407 10.847 -37.874 194 H THR 25 H THR 25 3.409 12.150 -35.796 195 HA THR 25 HA THR 25 4.096 9.505 -34.791 196 HB THR 25 HB THR 25 2.087 11.103 -33.229 197 HG1 THR 25 HG1 THR 25 3.738 11.657 -31.793 198 HG21 THR 25 HG21 THR 25 2.822 9.448 -31.458 199 HG22 THR 25 HG22 THR 25 3.705 8.610 -32.734 200 HG23 THR 25 HG23 THR 25 1.951 8.768 -32.832 201 H CYS 26 H CYS 26 2.175 8.084 -34.639 202 HA CYS 26 HA CYS 26 -0.221 8.941 -36.012 203 HB2 CYS 26 HB2 CYS 26 1.645 8.187 -37.716 204 HB3 CYS 26 HB3 CYS 26 1.140 6.572 -37.229 205 H SER 27 H SER 27 -1.974 7.599 -35.646 206 HA SER 27 HA SER 27 -1.734 4.985 -34.542 207 HB2 SER 27 HB2 SER 27 -1.092 6.406 -32.573 208 HB3 SER 27 HB3 SER 27 -2.701 7.125 -32.633 209 HG SER 27 HG SER 27 -3.590 5.160 -32.134 210 H GLY 28 H GLY 28 -3.500 3.908 -35.130 211 HA2 GLY 28 HA2 GLY 28 -6.073 5.319 -35.217 212 HA3 GLY 28 HA3 GLY 28 -5.504 4.521 -36.676 213 H GLY 29 H GLY 29 -5.550 3.601 -33.228 214 HA2 GLY 29 HA2 GLY 29 -7.203 1.279 -33.967 215 HA3 GLY 29 HA3 GLY 29 -5.713 1.035 -33.068 216 H PHE 30 H PHE 30 -5.628 2.728 -31.112 217 HA PHE 30 HA PHE 30 -8.226 2.559 -29.733 218 HB2 PHE 30 HB2 PHE 30 -6.781 0.856 -28.807 219 HB3 PHE 30 HB3 PHE 30 -5.474 2.018 -28.603 220 HD1 PHE 30 HD2 PHE 30 -9.052 1.629 -27.607 221 HD2 PHE 30 HD1 PHE 30 -5.120 2.815 -26.488 222 HE1 PHE 30 HE2 PHE 30 -9.851 2.123 -25.334 223 HE2 PHE 30 HE1 PHE 30 -5.913 3.310 -24.212 224 HZ PHE 30 HZ PHE 30 -8.282 2.965 -23.633 225 H SER 31 H SER 31 -5.178 4.276 -30.109 226 HA SER 31 HA SER 31 -5.993 6.434 -28.366 227 HB2 SER 31 HB2 SER 31 -3.546 5.475 -29.190 228 HB3 SER 31 HB3 SER 31 -3.716 6.950 -30.142 229 HG SER 31 HG SER 31 -2.803 7.533 -28.216 230 H LEU 32 H LEU 32 -5.606 5.894 -31.840 231 HA LEU 32 HA LEU 32 -6.316 7.055 -33.663 232 HB2 LEU 32 HB2 LEU 32 -8.496 6.569 -32.711 233 HB3 LEU 32 HB3 LEU 32 -8.391 8.003 -31.692 234 HG LEU 32 HG LEU 32 -8.091 8.884 -34.352 235 HD11 LEU 32 HD11 LEU 32 -10.699 7.519 -34.299 236 HD12 LEU 32 HD12 LEU 32 -9.296 6.485 -34.566 237 HD13 LEU 32 HD13 LEU 32 -9.609 7.842 -35.647 238 HD21 LEU 32 HD21 LEU 32 -10.575 9.643 -33.718 239 HD22 LEU 32 HD22 LEU 32 -9.136 10.399 -33.033 240 HD23 LEU 32 HD23 LEU 32 -10.007 9.168 -32.117 241 H LYS 33 H LYS 33 -4.234 8.263 -33.258 242 HA LYS 33 HA LYS 33 -4.811 11.105 -33.358 243 HB2 LYS 33 HB2 LYS 33 -2.759 10.041 -31.410 244 HB3 LYS 33 HB3 LYS 33 -3.176 11.728 -31.682 245 HG2 LYS 33 HG2 LYS 33 -5.416 11.324 -30.807 246 HG3 LYS 33 HG3 LYS 33 -5.011 9.626 -30.548 247 HD2 LYS 33 HD2 LYS 33 -4.592 10.436 -28.455 248 HD3 LYS 33 HD3 LYS 33 -3.005 10.691 -29.185 249 HE2 LYS 33 HE2 LYS 33 -3.431 12.992 -29.527 250 HE3 LYS 33 HE3 LYS 33 -5.150 12.800 -29.185 251 HZ1 LYS 33 HZ1 LYS 33 -4.434 13.624 -27.207 252 HZ2 LYS 33 HZ2 LYS 33 -2.891 12.944 -27.332 253 HZ3 LYS 33 HZ3 LYS 33 -4.208 11.977 -26.894 254 H ASN 34 H ASN 34 -2.553 12.292 -33.662 255 HA ASN 34 HA ASN 34 -0.452 10.866 -34.903 256 HB2 ASN 34 HB2 ASN 34 -0.948 12.008 -37.223 257 HB3 ASN 34 HB3 ASN 34 -1.677 10.456 -36.819 258 HD21 ASN 34 HD21 ASN 34 -3.844 10.293 -36.650 259 HD22 ASN 34 HD22 ASN 34 -4.940 11.602 -36.918 260 H ASP 35 H ASP 35 1.313 12.168 -35.318 261 HA ASP 35 HA ASP 35 0.978 15.003 -34.591 262 HB2 ASP 35 HB2 ASP 35 2.487 13.236 -33.259 263 HB3 ASP 35 HB3 ASP 35 3.663 13.730 -34.475 264 H CYS 36 H CYS 36 1.237 16.409 -36.183 265 HA CYS 36 HA CYS 36 1.962 15.761 -38.789 266 HB2 CYS 36 HB2 CYS 36 1.829 18.363 -37.290 267 HB3 CYS 36 HB3 CYS 36 2.378 18.316 -38.962 268 H TRP 37 H TRP 37 3.814 17.270 -39.854 269 HA TRP 37 HA TRP 37 6.299 16.555 -38.441 270 HB2 TRP 37 HB2 TRP 37 7.256 16.602 -40.858 271 HB3 TRP 37 HB3 TRP 37 6.318 15.205 -40.339 272 HD1 TRP 37 HD1 TRP 37 3.692 15.149 -41.220 273 HE1 TRP 37 HE1 TRP 37 2.708 15.994 -43.443 274 HE3 TRP 37 HE3 TRP 37 7.463 18.299 -42.631 275 HZ2 TRP 37 HZ2 TRP 37 3.434 17.762 -45.521 276 HZ3 TRP 37 HZ3 TRP 37 7.241 19.530 -44.751 277 HH2 TRP 37 HH2 TRP 37 5.268 19.265 -46.164 278 H CYS 38 H CYS 38 8.178 17.886 -39.760 279 HA CYS 38 HA CYS 38 8.084 20.470 -38.771 280 HB2 CYS 38 HB2 CYS 38 9.977 20.916 -40.408 281 HB3 CYS 38 HB3 CYS 38 10.208 19.560 -39.310 282 H CYS 39 H CYS 39 8.517 22.439 -40.334 283 HA CYS 39 HA CYS 39 6.313 22.482 -42.291 284 HB2 CYS 39 HB2 CYS 39 6.664 24.065 -39.998 285 HB3 CYS 39 HB3 CYS 39 7.062 25.111 -41.357 286 H LEU 40 H LEU 40 6.810 24.923 -43.454 287 HA LEU 40 HA LEU 40 8.566 24.369 -45.482 288 HB2 LEU 40 HB2 LEU 40 6.889 26.414 -44.910 289 HB3 LEU 40 HB3 LEU 40 8.450 27.209 -44.716 290 HG LEU 40 HG LEU 40 7.836 25.668 -47.210 291 HD11 LEU 40 HD11 LEU 40 7.253 28.089 -48.057 292 HD12 LEU 40 HD12 LEU 40 6.748 28.310 -46.382 293 HD13 LEU 40 HD13 LEU 40 6.015 27.041 -47.363 294 HD21 LEU 40 HD21 LEU 40 9.702 26.621 -48.010 295 HD22 LEU 40 HD22 LEU 40 10.087 26.905 -46.312 296 HD23 LEU 40 HD23 LEU 40 9.341 28.183 -47.273 297 H ARG 41 H ARG 41 9.243 26.193 -42.512 298 HA ARG 41 HA ARG 41 11.880 25.290 -42.272 299 HB2 ARG 41 HB2 ARG 41 12.453 26.570 -44.202 300 HB3 ARG 41 HB3 ARG 41 11.557 27.967 -43.622 301 HG2 ARG 41 HG2 ARG 41 13.762 26.991 -41.911 302 HG3 ARG 41 HG3 ARG 41 14.205 27.761 -43.436 303 HD2 ARG 41 HD2 ARG 41 12.195 29.357 -42.283 304 HD3 ARG 41 HD3 ARG 41 13.323 28.960 -40.987 305 HE ARG 41 HE ARG 41 14.790 29.756 -43.235 306 HH11 ARG 41 HH11 ARG 41 12.608 31.088 -40.872 307 HH12 ARG 41 HH12 ARG 41 13.281 32.682 -40.958 308 HH21 ARG 41 HH21 ARG 41 15.685 31.850 -43.357 309 HH22 ARG 41 HH22 ARG 41 15.031 33.115 -42.372 310 H LEU 42 H LEU 42 12.414 25.541 -40.202 311 HA LEU 42 HA LEU 42 11.583 27.923 -38.746 312 HB2 LEU 42 HB2 LEU 42 10.846 26.349 -36.843 313 HB3 LEU 42 HB3 LEU 42 9.736 26.665 -38.174 314 HG LEU 42 HG LEU 42 11.323 24.328 -38.728 315 HD11 LEU 42 HD11 LEU 42 9.554 23.840 -36.397 316 HD12 LEU 42 HD12 LEU 42 11.163 24.492 -36.090 317 HD13 LEU 42 HD13 LEU 42 10.981 22.960 -36.943 318 HD21 LEU 42 HD21 LEU 42 9.375 24.426 -39.914 319 HD22 LEU 42 HD22 LEU 42 8.462 25.123 -38.576 320 HD23 LEU 42 HD23 LEU 42 8.854 23.403 -38.576 321 H LYS 43 H LYS 43 12.931 28.467 -37.077 322 HA LYS 43 HA LYS 43 15.395 26.902 -36.881 323 HB2 LYS 43 HB2 LYS 43 16.463 28.857 -36.118 324 HB3 LYS 43 HB3 LYS 43 15.374 29.405 -37.385 325 HG2 LYS 43 HG2 LYS 43 13.735 29.784 -35.370 326 HG3 LYS 43 HG3 LYS 43 15.238 29.835 -34.445 327 HD2 LYS 43 HD2 LYS 43 15.688 31.414 -36.715 328 HD3 LYS 43 HD3 LYS 43 14.070 31.839 -36.153 329 HE2 LYS 43 HE2 LYS 43 16.358 31.651 -34.229 330 HE3 LYS 43 HE3 LYS 43 16.117 33.105 -35.196 331 HZ1 LYS 43 HZ1 LYS 43 14.408 33.732 -33.936 332 HZ2 LYS 43 HZ2 LYS 43 14.934 32.580 -32.814 333 HZ3 LYS 43 HZ3 LYS 43 13.715 32.188 -33.920 334 H THR 44 H THR 44 12.686 28.016 -34.978 335 HA THR 44 HA THR 44 13.810 26.645 -32.622 336 HB THR 44 HB THR 44 13.428 29.010 -32.185 337 HG1 THR 44 HG1 THR 44 11.894 28.705 -30.419 338 HG21 THR 44 HG21 THR 44 11.301 30.063 -32.386 339 HG22 THR 44 HG22 THR 44 10.507 28.532 -32.756 340 HG23 THR 44 HG23 THR 44 11.616 29.255 -33.921 341 H LYS 45 H LYS 45 10.857 27.192 -34.498 342 HA LYS 45 HA LYS 45 9.952 24.568 -34.362 343 HB2 LYS 45 HB2 LYS 45 9.565 24.730 -32.042 344 HB3 LYS 45 HB3 LYS 45 8.913 26.358 -32.178 345 HG2 LYS 45 HG2 LYS 45 6.929 25.491 -33.284 346 HG3 LYS 45 HG3 LYS 45 7.587 23.855 -33.203 347 HD2 LYS 45 HD2 LYS 45 7.757 24.523 -30.613 348 HD3 LYS 45 HD3 LYS 45 6.387 25.533 -31.080 349 HE2 LYS 45 HE2 LYS 45 6.466 22.648 -31.863 350 HE3 LYS 45 HE3 LYS 45 5.980 23.106 -30.232 351 HZ1 LYS 45 HZ1 LYS 45 4.462 23.176 -32.599 352 HZ2 LYS 45 HZ2 LYS 45 4.601 24.752 -32.001 353 HZ3 LYS 45 HZ3 LYS 45 3.970 23.527 -31.019 354 H GLN 46 H GLN 46 9.143 27.968 -34.552 355 HA GLN 46 HA GLN 46 7.285 27.340 -36.738 356 HB2 GLN 46 HB2 GLN 46 5.802 29.171 -35.975 357 HB3 GLN 46 HB3 GLN 46 5.898 27.847 -34.822 358 HG2 GLN 46 HG2 GLN 46 6.364 29.339 -33.261 359 HG3 GLN 46 HG3 GLN 46 7.911 29.610 -34.060 360 HE21 GLN 46 HE21 GLN 46 8.269 31.490 -35.107 361 HE22 GLN 46 HE22 GLN 46 7.129 32.785 -35.196 362 H ALA 47 H ALA 47 7.072 28.979 -38.338 363 HA ALA 47 HA ALA 47 8.369 31.451 -38.317 364 HB1 ALA 47 HB1 ALA 47 10.076 29.155 -39.034 365 HB2 ALA 47 HB2 ALA 47 10.171 30.558 -40.100 366 HB3 ALA 47 HB3 ALA 47 10.509 30.735 -38.378 367 H ARG 48 H ARG 48 8.582 29.008 -40.883 368 HA ARG 48 HA ARG 48 6.586 30.554 -42.404 369 HB2 ARG 48 HB2 ARG 48 9.003 29.095 -43.488 370 HB3 ARG 48 HB3 ARG 48 7.802 29.944 -44.451 371 HG2 ARG 48 HG2 ARG 48 9.473 31.296 -42.351 372 HG3 ARG 48 HG3 ARG 48 9.953 31.173 -44.045 373 HD2 ARG 48 HD2 ARG 48 7.302 32.319 -43.222 374 HD3 ARG 48 HD3 ARG 48 8.759 33.309 -43.300 375 HE ARG 48 HE ARG 48 8.334 31.852 -45.711 376 HH11 ARG 48 HH11 ARG 48 7.328 34.668 -43.930 377 HH12 ARG 48 HH12 ARG 48 6.845 35.549 -45.342 378 HH21 ARG 48 HH21 ARG 48 7.702 33.001 -47.578 379 HH22 ARG 48 HH22 ARG 48 7.058 34.600 -47.416 380 H CYS 49 H CYS 49 4.802 29.452 -42.832 381 HA CYS 49 HA CYS 49 4.919 26.680 -43.642 382 HB2 CYS 49 HB2 CYS 49 4.487 27.241 -40.936 383 HB3 CYS 49 HB3 CYS 49 2.886 26.904 -41.587 384 H TRP 50 H TRP 50 2.450 25.900 -43.810 385 HA TRP 50 HA TRP 50 0.995 28.095 -45.136 386 HB2 TRP 50 HB2 TRP 50 0.012 26.211 -46.566 387 HB3 TRP 50 HB3 TRP 50 1.689 26.656 -46.870 388 HD1 TRP 50 HD1 TRP 50 -0.465 23.735 -45.984 389 HE1 TRP 50 HE1 TRP 50 0.998 21.653 -45.592 390 HE3 TRP 50 HE3 TRP 50 4.125 25.983 -45.839 391 HZ2 TRP 50 HZ2 TRP 50 3.735 21.045 -45.264 392 HZ3 TRP 50 HZ3 TRP 50 6.114 24.580 -45.482 393 HH2 TRP 50 HH2 TRP 50 5.921 22.162 -45.200 394 H LYS 51 H LYS 51 -1.046 28.465 -44.519 395 HA LYS 51 HA LYS 51 -2.110 27.103 -42.251 396 HB2 LYS 51 HB2 LYS 51 -4.103 28.580 -42.647 397 HB3 LYS 51 HB3 LYS 51 -2.577 29.436 -42.470 398 HG2 LYS 51 HG2 LYS 51 -3.243 28.758 -45.234 399 HG3 LYS 51 HG3 LYS 51 -4.394 29.846 -44.456 400 HD2 LYS 51 HD2 LYS 51 -2.840 31.516 -44.187 401 HD3 LYS 51 HD3 LYS 51 -1.480 30.392 -44.154 402 HE2 LYS 51 HE2 LYS 51 -2.513 30.045 -46.680 403 HE3 LYS 51 HE3 LYS 51 -2.720 31.774 -46.404 404 HZ1 LYS 51 HZ1 LYS 51 -0.309 30.257 -46.820 405 HZ2 LYS 51 HZ2 LYS 51 -0.212 31.329 -45.515 406 HZ3 LYS 51 HZ3 LYS 51 -0.604 31.906 -47.057 407 H GLU 52 H GLU 52 -3.366 25.360 -42.183 408 HA GLU 52 HA GLU 52 -4.047 23.900 -44.493 409 HB2 GLU 52 HB2 GLU 52 -3.716 22.960 -42.186 410 HB3 GLU 52 HB3 GLU 52 -5.288 23.618 -41.753 411 HG2 GLU 52 HG2 GLU 52 -5.493 22.070 -44.159 412 HG3 GLU 52 HG3 GLU 52 -4.726 21.125 -42.884 413 H LYS 53 H LYS 53 -5.534 26.570 -43.035 414 HA LYS 53 HA LYS 53 -8.245 26.009 -43.713 415 HB2 LYS 53 HB2 LYS 53 -8.674 28.328 -43.168 416 HB3 LYS 53 HB3 LYS 53 -7.589 27.638 -41.968 417 HG2 LYS 53 HG2 LYS 53 -6.456 29.549 -42.311 418 HG3 LYS 53 HG3 LYS 53 -5.784 28.653 -43.675 419 HD2 LYS 53 HD2 LYS 53 -6.431 30.617 -44.693 420 HD3 LYS 53 HD3 LYS 53 -7.857 29.607 -44.949 421 HE2 LYS 53 HE2 LYS 53 -7.778 31.188 -42.451 422 HE3 LYS 53 HE3 LYS 53 -7.971 32.094 -43.951 423 HZ1 LYS 53 HZ1 LYS 53 -9.937 30.772 -42.544 424 HZ2 LYS 53 HZ2 LYS 53 -9.673 29.826 -43.920 425 HZ3 LYS 53 HZ3 LYS 53 -10.076 31.461 -44.083 426 H GLU 54 H GLU 54 -5.585 27.679 -45.312 427 HA GLU 54 HA GLU 54 -7.307 28.152 -47.646 428 HB2 GLU 54 HB2 GLU 54 -4.889 29.490 -46.553 429 HB3 GLU 54 HB3 GLU 54 -5.066 29.460 -48.302 430 HG2 GLU 54 HG2 GLU 54 -7.455 30.279 -46.794 431 HG3 GLU 54 HG3 GLU 54 -6.079 31.378 -46.716 432 H PHE 55 H PHE 55 -4.604 26.337 -46.501 433 HA PHE 55 HA PHE 55 -4.062 25.361 -49.224 434 HB2 PHE 55 HB2 PHE 55 -2.361 25.817 -46.851 435 HB3 PHE 55 HB3 PHE 55 -2.025 24.341 -47.750 436 HD1 PHE 55 HD2 PHE 55 -2.620 27.973 -48.350 437 HD2 PHE 55 HD1 PHE 55 -0.535 24.442 -49.492 438 HE1 PHE 55 HE2 PHE 55 -1.325 29.272 -49.990 439 HE2 PHE 55 HE1 PHE 55 0.764 25.736 -51.133 440 HZ PHE 55 HZ PHE 55 0.369 28.154 -51.385 441 HA PRO 56 HA PRO 56 -6.256 21.726 -47.792 442 HB2 PRO 56 HB2 PRO 56 -6.219 20.462 -50.194 443 HB3 PRO 56 HB3 PRO 56 -7.353 21.762 -49.810 444 HG2 PRO 56 HG2 PRO 56 -4.789 21.878 -51.350 445 HG3 PRO 56 HG3 PRO 56 -6.344 22.651 -51.708 446 HD2 PRO 56 HD2 PRO 56 -4.279 23.989 -50.578 447 HD3 PRO 56 HD3 PRO 56 -5.975 24.371 -50.219 448 H ASN 57 H ASN 57 -3.185 21.833 -49.489 449 HA ASN 57 HA ASN 57 -2.449 19.143 -49.282 450 HB2 ASN 57 HB2 ASN 57 -1.222 21.582 -50.082 451 HB3 ASN 57 HB3 ASN 57 -0.132 20.785 -48.952 452 HD21 ASN 57 HD21 ASN 57 -0.474 18.173 -49.455 453 HD22 ASN 57 HD22 ASN 57 -0.022 17.798 -51.080 454 H ALA 58 H ALA 58 -2.253 21.780 -46.972 455 HA ALA 58 HA ALA 58 -0.541 20.674 -45.085 456 HB1 ALA 58 HB1 ALA 58 -2.142 22.937 -45.257 457 HB2 ALA 58 HB2 ALA 58 -2.729 22.086 -43.827 458 HB3 ALA 58 HB3 ALA 58 -1.026 22.527 -43.953 459 H LYS 59 H LYS 59 -4.079 20.372 -45.322 460 HA LYS 59 HA LYS 59 -4.344 18.666 -43.075 461 HB2 LYS 59 HB2 LYS 59 -6.090 20.048 -44.638 462 HB3 LYS 59 HB3 LYS 59 -6.354 18.410 -45.220 463 HG2 LYS 59 HG2 LYS 59 -6.507 19.243 -42.331 464 HG3 LYS 59 HG3 LYS 59 -7.894 19.077 -43.409 465 HD2 LYS 59 HD2 LYS 59 -5.960 16.872 -42.698 466 HD3 LYS 59 HD3 LYS 59 -7.564 17.088 -41.995 467 HE2 LYS 59 HE2 LYS 59 -8.233 17.096 -44.580 468 HE3 LYS 59 HE3 LYS 59 -6.772 16.114 -44.679 469 HZ1 LYS 59 HZ1 LYS 59 -8.394 15.277 -42.511 470 HZ2 LYS 59 HZ2 LYS 59 -7.858 14.388 -43.847 471 HZ3 LYS 59 HZ3 LYS 59 -9.295 15.276 -43.943 472 H GLU 60 H GLU 60 -4.075 18.055 -46.554 473 HA GLU 60 HA GLU 60 -4.496 15.295 -46.514 474 HB2 GLU 60 HB2 GLU 60 -3.250 17.230 -48.366 475 HB3 GLU 60 HB3 GLU 60 -2.729 15.562 -48.554 476 HG2 GLU 60 HG2 GLU 60 -5.608 15.794 -48.300 477 HG3 GLU 60 HG3 GLU 60 -4.972 16.717 -49.660 478 H LEU 61 H LEU 61 -1.506 17.160 -46.138 479 HA LEU 61 HA LEU 61 0.209 14.911 -45.953 480 HB2 LEU 61 HB2 LEU 61 0.615 17.689 -44.856 481 HB3 LEU 61 HB3 LEU 61 1.869 16.479 -45.118 482 HG LEU 61 HG LEU 61 0.267 17.317 -47.473 483 HD11 LEU 61 HD11 LEU 61 2.501 19.065 -47.231 484 HD12 LEU 61 HD12 LEU 61 1.486 19.239 -45.800 485 HD13 LEU 61 HD13 LEU 61 0.793 19.467 -47.405 486 HD21 LEU 61 HD21 LEU 61 3.227 17.134 -47.404 487 HD22 LEU 61 HD22 LEU 61 2.087 16.626 -48.650 488 HD23 LEU 61 HD23 LEU 61 2.309 15.642 -47.203 489 H CYS 62 H CYS 62 -1.306 16.989 -43.504 490 HA CYS 62 HA CYS 62 -0.189 15.753 -41.249 491 HB2 CYS 62 HB2 CYS 62 -2.145 17.766 -41.785 492 HB3 CYS 62 HB3 CYS 62 -2.810 16.646 -40.600 493 H PHE 63 H PHE 63 -3.156 15.073 -43.049 494 HA PHE 63 HA PHE 63 -4.025 13.004 -41.279 495 HB2 PHE 63 HB2 PHE 63 -5.257 14.471 -43.212 496 HB3 PHE 63 HB3 PHE 63 -5.009 12.948 -44.060 497 HD1 PHE 63 HD1 PHE 63 -6.269 14.243 -40.800 498 HD2 PHE 63 HD2 PHE 63 -6.599 11.300 -43.857 499 HE1 PHE 63 HE1 PHE 63 -8.245 13.303 -39.677 500 HE2 PHE 63 HE2 PHE 63 -8.577 10.356 -42.739 501 HZ PHE 63 HZ PHE 63 -9.403 11.358 -40.647 502 H ALA 64 H ALA 64 -2.322 13.093 -44.375 503 HA ALA 64 HA ALA 64 -2.233 10.268 -44.717 504 HB1 ALA 64 HB1 ALA 64 -1.999 11.928 -46.559 505 HB2 ALA 64 HB2 ALA 64 -0.393 12.317 -45.940 506 HB3 ALA 64 HB3 ALA 64 -0.739 10.694 -46.539 507 H ASN 65 H ASN 65 -0.433 12.484 -42.818 508 HA ASN 65 HA ASN 65 2.077 11.370 -42.651 509 HB2 ASN 65 HB2 ASN 65 2.370 12.755 -40.885 510 HB3 ASN 65 HB3 ASN 65 0.773 13.357 -41.320 511 HD21 ASN 65 HD21 ASN 65 2.641 12.126 -38.875 512 HD22 ASN 65 HD22 ASN 65 1.389 11.679 -37.772 513 H CYS 66 H CYS 66 2.927 9.540 -41.877 514 HA CYS 66 HA CYS 66 2.018 8.050 -39.712 515 HB2 CYS 66 HB2 CYS 66 0.528 7.574 -42.150 516 HB3 CYS 66 HB3 CYS 66 1.347 6.109 -41.615 517 HA PRO 67 HA PRO 67 5.907 6.123 -40.358 518 HB2 PRO 67 HB2 PRO 67 5.546 3.750 -39.089 519 HB3 PRO 67 HB3 PRO 67 5.715 5.284 -38.227 520 HG2 PRO 67 HG2 PRO 67 3.232 3.759 -38.911 521 HG3 PRO 67 HG3 PRO 67 3.661 4.577 -37.398 522 HD2 PRO 67 HD2 PRO 67 1.994 5.677 -39.226 523 HD3 PRO 67 HD3 PRO 67 3.069 6.653 -38.205 524 HA PRO 68 HA PRO 68 5.904 3.355 -43.775 525 HB2 PRO 68 HB2 PRO 68 8.029 1.747 -43.256 526 HB3 PRO 68 HB3 PRO 68 8.200 3.439 -43.739 527 HG2 PRO 68 HG2 PRO 68 8.332 2.227 -41.005 528 HG3 PRO 68 HG3 PRO 68 9.368 3.471 -41.728 529 HD2 PRO 68 HD2 PRO 68 7.361 4.064 -40.010 530 HD3 PRO 68 HD3 PRO 68 7.842 5.152 -41.328 531 H LEU 69 H LEU 69 5.386 1.254 -44.484 532 HA LEU 69 HA LEU 69 4.258 -0.462 -42.383 533 HB2 LEU 69 HB2 LEU 69 2.998 -1.488 -44.317 534 HB3 LEU 69 HB3 LEU 69 2.571 0.167 -43.886 535 HG LEU 69 HG LEU 69 4.568 -0.205 -46.049 536 HD11 LEU 69 HD11 LEU 69 1.664 -0.928 -46.279 537 HD12 LEU 69 HD12 LEU 69 3.074 -1.848 -46.801 538 HD13 LEU 69 HD13 LEU 69 2.610 -0.382 -47.664 539 HD21 LEU 69 HD21 LEU 69 3.770 1.827 -46.797 540 HD22 LEU 69 HD22 LEU 69 3.577 1.981 -45.051 541 HD23 LEU 69 HD23 LEU 69 2.183 1.596 -46.062 542 H GLU 70 H GLU 70 7.055 -0.510 -42.938 543 HA GLU 70 HA GLU 70 7.658 -2.746 -44.622 544 HB2 GLU 70 HB2 GLU 70 9.125 -0.685 -43.568 545 HB3 GLU 70 HB3 GLU 70 9.640 -2.040 -42.573 546 HG2 GLU 70 HG2 GLU 70 9.586 -2.305 -45.545 547 HG3 GLU 70 HG3 GLU 70 10.922 -1.474 -44.751 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.273 11.318 -6.494 2 HA2 GLY 1 HA2 GLY 1 6.375 13.818 -5.317 3 HA3 GLY 1 HA3 GLY 1 6.135 13.677 -7.052 4 HA PRO 2 HA PRO 2 2.644 11.668 -4.522 5 HB2 PRO 2 HB2 PRO 2 0.738 13.558 -4.926 6 HB3 PRO 2 HB3 PRO 2 1.837 13.583 -3.542 7 HG2 PRO 2 HG2 PRO 2 1.988 15.116 -6.109 8 HG3 PRO 2 HG3 PRO 2 2.284 15.676 -4.452 9 HD2 PRO 2 HD2 PRO 2 4.290 15.046 -6.157 10 HD3 PRO 2 HD3 PRO 2 4.416 14.801 -4.403 11 H GLU 3 H GLU 3 0.229 11.538 -5.477 12 HA GLU 3 HA GLU 3 0.432 10.189 -7.920 13 HB2 GLU 3 HB2 GLU 3 -1.806 11.119 -6.196 14 HB3 GLU 3 HB3 GLU 3 -2.195 10.674 -7.851 15 HG2 GLU 3 HG2 GLU 3 -2.500 8.668 -6.837 16 HG3 GLU 3 HG3 GLU 3 -0.790 8.530 -7.245 17 H LYS 4 H LYS 4 1.087 11.190 -9.723 18 HA LYS 4 HA LYS 4 -0.517 13.441 -10.688 19 HB2 LYS 4 HB2 LYS 4 2.469 13.392 -10.361 20 HB3 LYS 4 HB3 LYS 4 1.721 14.385 -11.606 21 HG2 LYS 4 HG2 LYS 4 0.756 15.809 -10.086 22 HG3 LYS 4 HG3 LYS 4 0.751 14.603 -8.797 23 HD2 LYS 4 HD2 LYS 4 2.885 15.065 -8.174 24 HD3 LYS 4 HD3 LYS 4 3.398 15.441 -9.820 25 HE2 LYS 4 HE2 LYS 4 1.463 17.361 -8.892 26 HE3 LYS 4 HE3 LYS 4 2.809 17.243 -7.760 27 HZ1 LYS 4 HZ1 LYS 4 3.362 18.880 -9.359 28 HZ2 LYS 4 HZ2 LYS 4 2.940 17.877 -10.654 29 HZ3 LYS 4 HZ3 LYS 4 4.305 17.523 -9.720 30 H MET 5 H MET 5 -0.650 10.711 -11.408 31 HA MET 5 HA MET 5 0.020 10.944 -14.243 32 HB2 MET 5 HB2 MET 5 1.595 9.422 -12.590 33 HB3 MET 5 HB3 MET 5 0.440 8.238 -13.188 34 HG2 MET 5 HG2 MET 5 1.094 9.481 -15.488 35 HG3 MET 5 HG3 MET 5 2.599 9.654 -14.588 36 HE1 MET 5 HE1 MET 5 4.217 6.658 -15.962 37 HE2 MET 5 HE2 MET 5 4.011 8.404 -16.106 38 HE3 MET 5 HE3 MET 5 4.421 7.690 -14.546 39 H GLU 6 H GLU 6 -1.168 9.408 -15.594 40 HA GLU 6 HA GLU 6 -3.741 8.685 -14.360 41 HB2 GLU 6 HB2 GLU 6 -4.779 9.008 -16.501 42 HB3 GLU 6 HB3 GLU 6 -3.807 10.429 -16.144 43 HG2 GLU 6 HG2 GLU 6 -1.983 9.208 -17.528 44 HG3 GLU 6 HG3 GLU 6 -3.341 8.278 -18.157 45 H VAL 7 H VAL 7 -4.882 6.901 -15.734 46 HA VAL 7 HA VAL 7 -2.957 4.826 -16.517 47 HB VAL 7 HB VAL 7 -3.624 4.416 -14.167 48 HG11 VAL 7 HG11 VAL 7 -6.099 5.277 -14.947 49 HG12 VAL 7 HG12 VAL 7 -6.327 3.530 -14.842 50 HG13 VAL 7 HG13 VAL 7 -5.743 4.431 -13.442 51 HG21 VAL 7 HG21 VAL 7 -4.907 2.288 -15.833 52 HG22 VAL 7 HG22 VAL 7 -3.179 2.609 -15.977 53 HG23 VAL 7 HG23 VAL 7 -3.859 2.125 -14.423 54 H LYS 8 H LYS 8 -3.607 3.509 -18.162 55 HA LYS 8 HA LYS 8 -6.347 3.353 -19.008 56 HB2 LYS 8 HB2 LYS 8 -4.758 5.444 -20.064 57 HB3 LYS 8 HB3 LYS 8 -4.929 4.243 -21.338 58 HG2 LYS 8 HG2 LYS 8 -7.277 4.416 -21.327 59 HG3 LYS 8 HG3 LYS 8 -7.281 5.303 -19.801 60 HD2 LYS 8 HD2 LYS 8 -6.232 7.208 -20.872 61 HD3 LYS 8 HD3 LYS 8 -6.108 6.317 -22.391 62 HE2 LYS 8 HE2 LYS 8 -8.720 6.909 -21.011 63 HE3 LYS 8 HE3 LYS 8 -8.016 7.949 -22.249 64 HZ1 LYS 8 HZ1 LYS 8 -8.387 5.092 -22.821 65 HZ2 LYS 8 HZ2 LYS 8 -8.385 6.407 -23.884 66 HZ3 LYS 8 HZ3 LYS 8 -9.726 6.123 -22.893 67 H GLU 9 H GLU 9 -6.570 1.989 -20.991 68 HA GLU 9 HA GLU 9 -4.341 0.463 -21.906 69 HB2 GLU 9 HB2 GLU 9 -4.757 -1.628 -20.909 70 HB3 GLU 9 HB3 GLU 9 -4.831 -0.475 -19.584 71 HG2 GLU 9 HG2 GLU 9 -7.439 -0.617 -20.504 72 HG3 GLU 9 HG3 GLU 9 -6.854 -2.278 -20.585 73 H ILE 10 H ILE 10 -5.590 -1.822 -22.773 74 HA ILE 10 HA ILE 10 -6.879 -2.635 -24.462 75 HB ILE 10 HB ILE 10 -8.832 -0.511 -23.569 76 HG12 ILE 10 HG12 ILE 10 -9.449 -3.263 -22.875 77 HG13 ILE 10 HG13 ILE 10 -7.906 -2.757 -22.195 78 HG21 ILE 10 HG21 ILE 10 -9.976 -1.094 -25.388 79 HG22 ILE 10 HG22 ILE 10 -8.889 -2.439 -25.730 80 HG23 ILE 10 HG23 ILE 10 -10.236 -2.656 -24.612 81 HD11 ILE 10 HD11 ILE 10 -9.401 -2.203 -20.535 82 HD12 ILE 10 HD12 ILE 10 -9.226 -0.678 -21.404 83 HD13 ILE 10 HD13 ILE 10 -10.643 -1.691 -21.678 84 H GLY 11 H GLY 11 -5.208 -1.731 -25.890 85 HA2 GLY 11 HA2 GLY 11 -6.209 0.559 -27.464 86 HA3 GLY 11 HA3 GLY 11 -4.511 0.134 -27.307 87 H ARG 12 H ARG 12 -3.802 -1.893 -28.289 88 HA ARG 12 HA ARG 12 -3.543 -3.166 -30.162 89 HB2 ARG 12 HB2 ARG 12 -6.454 -3.505 -29.503 90 HB3 ARG 12 HB3 ARG 12 -5.754 -4.303 -30.905 91 HG2 ARG 12 HG2 ARG 12 -5.356 -5.969 -29.467 92 HG3 ARG 12 HG3 ARG 12 -3.971 -4.986 -28.986 93 HD2 ARG 12 HD2 ARG 12 -6.263 -4.051 -27.586 94 HD3 ARG 12 HD3 ARG 12 -6.192 -5.805 -27.421 95 HE ARG 12 HE ARG 12 -4.495 -3.920 -26.162 96 HH11 ARG 12 HH11 ARG 12 -4.491 -7.078 -27.626 97 HH12 ARG 12 HH12 ARG 12 -3.151 -7.654 -26.691 98 HH21 ARG 12 HH21 ARG 12 -2.730 -4.666 -24.924 99 HH22 ARG 12 HH22 ARG 12 -2.150 -6.281 -25.154 100 H SER 13 H SER 13 -3.218 -0.826 -31.061 101 HA SER 13 HA SER 13 -4.931 -0.600 -33.441 102 HB2 SER 13 HB2 SER 13 -5.421 1.169 -31.679 103 HB3 SER 13 HB3 SER 13 -3.803 1.797 -31.990 104 HG SER 13 HG SER 13 -5.539 1.367 -34.149 105 H SER 14 H SER 14 -1.988 -1.357 -32.406 106 HA SER 14 HA SER 14 0.104 -1.405 -33.300 107 HB2 SER 14 HB2 SER 14 -1.643 -1.056 -35.713 108 HB3 SER 14 HB3 SER 14 0.111 -1.026 -35.893 109 HG SER 14 HG SER 14 -0.105 -3.118 -35.944 110 H LYS 15 H LYS 15 -0.762 1.058 -32.154 111 HA LYS 15 HA LYS 15 -0.047 3.274 -33.773 112 HB2 LYS 15 HB2 LYS 15 -0.272 4.588 -31.829 113 HB3 LYS 15 HB3 LYS 15 -1.439 3.286 -31.634 114 HG2 LYS 15 HG2 LYS 15 1.307 3.107 -30.449 115 HG3 LYS 15 HG3 LYS 15 -0.007 3.944 -29.619 116 HD2 LYS 15 HD2 LYS 15 -0.508 1.935 -28.763 117 HD3 LYS 15 HD3 LYS 15 -1.180 1.576 -30.356 118 HE2 LYS 15 HE2 LYS 15 0.551 0.227 -30.930 119 HE3 LYS 15 HE3 LYS 15 1.731 1.176 -30.027 120 HZ1 LYS 15 HZ1 LYS 15 -0.268 -0.309 -28.497 121 HZ2 LYS 15 HZ2 LYS 15 1.351 0.017 -28.130 122 HZ3 LYS 15 HZ3 LYS 15 0.964 -1.201 -29.238 123 H ILE 16 H ILE 16 1.846 4.453 -33.887 124 HA ILE 16 HA ILE 16 4.146 3.890 -32.315 125 HB ILE 16 HB ILE 16 5.391 3.243 -34.626 126 HG12 ILE 16 HG12 ILE 16 2.802 1.688 -34.698 127 HG13 ILE 16 HG13 ILE 16 3.135 3.063 -35.745 128 HG21 ILE 16 HG21 ILE 16 5.870 1.246 -33.608 129 HG22 ILE 16 HG22 ILE 16 5.260 2.169 -32.236 130 HG23 ILE 16 HG23 ILE 16 4.214 1.007 -33.051 131 HD11 ILE 16 HD11 ILE 16 3.852 0.336 -36.088 132 HD12 ILE 16 HD12 ILE 16 4.105 1.698 -37.180 133 HD13 ILE 16 HD13 ILE 16 5.323 1.301 -35.968 134 H ILE 17 H ILE 17 6.130 5.006 -33.269 135 HA ILE 17 HA ILE 17 5.255 7.465 -34.638 136 HB ILE 17 HB ILE 17 7.146 8.601 -33.548 137 HG12 ILE 17 HG12 ILE 17 8.326 6.254 -33.244 138 HG13 ILE 17 HG13 ILE 17 8.640 7.577 -32.126 139 HG21 ILE 17 HG21 ILE 17 5.038 8.809 -32.474 140 HG22 ILE 17 HG22 ILE 17 5.174 7.205 -31.755 141 HG23 ILE 17 HG23 ILE 17 6.229 8.509 -31.209 142 HD11 ILE 17 HD11 ILE 17 6.437 5.686 -31.502 143 HD12 ILE 17 HD12 ILE 17 8.105 5.163 -31.265 144 HD13 ILE 17 HD13 ILE 17 7.498 6.586 -30.420 145 H LEU 18 H LEU 18 6.979 8.561 -35.912 146 HA LEU 18 HA LEU 18 8.888 6.667 -37.096 147 HB2 LEU 18 HB2 LEU 18 6.984 6.761 -38.579 148 HB3 LEU 18 HB3 LEU 18 7.034 8.523 -38.580 149 HG LEU 18 HG LEU 18 7.958 7.180 -40.613 150 HD11 LEU 18 HD11 LEU 18 9.081 9.061 -41.240 151 HD12 LEU 18 HD12 LEU 18 9.872 9.249 -39.676 152 HD13 LEU 18 HD13 LEU 18 8.180 9.706 -39.868 153 HD21 LEU 18 HD21 LEU 18 10.543 7.313 -39.153 154 HD22 LEU 18 HD22 LEU 18 10.048 6.275 -40.491 155 HD23 LEU 18 HD23 LEU 18 9.487 5.932 -38.854 156 HA PRO 19 HA PRO 19 11.422 10.229 -36.033 157 HB2 PRO 19 HB2 PRO 19 13.784 8.940 -36.399 158 HB3 PRO 19 HB3 PRO 19 12.808 8.762 -34.935 159 HG2 PRO 19 HG2 PRO 19 12.999 6.956 -37.316 160 HG3 PRO 19 HG3 PRO 19 12.962 6.537 -35.593 161 HD2 PRO 19 HD2 PRO 19 10.781 6.348 -37.186 162 HD3 PRO 19 HD3 PRO 19 10.672 6.753 -35.461 163 H ALA 20 H ALA 20 12.603 11.695 -37.232 164 HA ALA 20 HA ALA 20 13.856 11.207 -39.685 165 HB1 ALA 20 HB1 ALA 20 11.841 10.780 -40.764 166 HB2 ALA 20 HB2 ALA 20 10.982 12.033 -39.866 167 HB3 ALA 20 HB3 ALA 20 12.139 12.482 -41.120 168 H CYS 21 H CYS 21 11.617 13.857 -38.917 169 HA CYS 21 HA CYS 21 13.950 15.617 -38.543 170 HB2 CYS 21 HB2 CYS 21 13.017 16.124 -40.705 171 HB3 CYS 21 HB3 CYS 21 11.388 16.193 -40.040 172 H MET 22 H MET 22 10.599 14.919 -37.733 173 HA MET 22 HA MET 22 10.966 16.402 -35.228 174 HB2 MET 22 HB2 MET 22 9.389 17.359 -37.271 175 HB3 MET 22 HB3 MET 22 8.228 16.503 -36.265 176 HG2 MET 22 HG2 MET 22 8.306 18.794 -35.588 177 HG3 MET 22 HG3 MET 22 9.015 17.799 -34.318 178 HE1 MET 22 HE1 MET 22 10.230 19.154 -33.038 179 HE2 MET 22 HE2 MET 22 11.719 18.299 -33.443 180 HE3 MET 22 HE3 MET 22 11.688 20.063 -33.438 181 H HIS 23 H HIS 23 8.542 15.938 -34.061 182 HA HIS 23 HA HIS 23 8.635 13.037 -33.679 183 HB2 HIS 23 HB2 HIS 23 7.502 15.270 -31.990 184 HB3 HIS 23 HB3 HIS 23 7.285 13.564 -31.608 185 HD1 HIS 23 HD1 HIS 23 9.265 12.322 -30.590 186 HD2 HIS 23 HD2 HIS 23 10.141 16.244 -31.645 187 HE1 HIS 23 HE1 HIS 23 11.504 12.813 -29.554 188 H GLU 24 H GLU 24 7.257 11.936 -34.912 189 HA GLU 24 HA GLU 24 4.510 12.968 -35.181 190 HB2 GLU 24 HB2 GLU 24 4.450 11.748 -37.382 191 HB3 GLU 24 HB3 GLU 24 5.507 13.152 -37.336 192 HG2 GLU 24 HG2 GLU 24 7.072 10.941 -36.580 193 HG3 GLU 24 HG3 GLU 24 6.129 10.445 -37.985 194 H THR 25 H THR 25 2.897 11.229 -35.646 195 HA THR 25 HA THR 25 3.601 8.567 -34.723 196 HB THR 25 HB THR 25 1.350 9.963 -33.297 197 HG1 THR 25 HG1 THR 25 2.828 10.374 -31.605 198 HG21 THR 25 HG21 THR 25 1.257 7.594 -33.117 199 HG22 THR 25 HG22 THR 25 1.915 8.186 -31.591 200 HG23 THR 25 HG23 THR 25 2.988 7.483 -32.800 201 H CYS 26 H CYS 26 1.787 7.040 -34.934 202 HA CYS 26 HA CYS 26 -0.506 7.878 -36.477 203 HB2 CYS 26 HB2 CYS 26 1.553 7.452 -38.047 204 HB3 CYS 26 HB3 CYS 26 1.179 5.757 -37.757 205 H SER 27 H SER 27 -2.177 6.381 -36.460 206 HA SER 27 HA SER 27 -1.831 3.695 -35.554 207 HB2 SER 27 HB2 SER 27 -1.607 5.007 -33.416 208 HB3 SER 27 HB3 SER 27 -3.266 5.558 -33.651 209 HG SER 27 HG SER 27 -2.487 2.833 -33.503 210 H GLY 28 H GLY 28 -3.388 2.526 -36.466 211 HA2 GLY 28 HA2 GLY 28 -6.070 3.663 -36.759 212 HA3 GLY 28 HA3 GLY 28 -5.233 3.175 -38.226 213 H GLY 29 H GLY 29 -7.389 2.197 -35.912 214 HA2 GLY 29 HA2 GLY 29 -7.951 -0.273 -36.909 215 HA3 GLY 29 HA3 GLY 29 -6.655 -0.584 -35.763 216 H PHE 30 H PHE 30 -7.549 1.615 -33.999 217 HA PHE 30 HA PHE 30 -10.208 0.989 -33.146 218 HB2 PHE 30 HB2 PHE 30 -9.081 -1.002 -32.292 219 HB3 PHE 30 HB3 PHE 30 -7.890 0.001 -31.471 220 HD1 PHE 30 HD2 PHE 30 -11.497 -0.838 -31.567 221 HD2 PHE 30 HD1 PHE 30 -8.281 0.804 -29.314 222 HE1 PHE 30 HE2 PHE 30 -12.932 -0.779 -29.570 223 HE2 PHE 30 HE1 PHE 30 -9.711 0.865 -27.312 224 HZ PHE 30 HZ PHE 30 -12.040 0.074 -27.439 225 H SER 31 H SER 31 -7.065 2.376 -32.350 226 HA SER 31 HA SER 31 -8.227 4.290 -30.513 227 HB2 SER 31 HB2 SER 31 -5.416 3.834 -31.517 228 HB3 SER 31 HB3 SER 31 -5.842 5.178 -30.457 229 HG SER 31 HG SER 31 -6.575 3.640 -28.933 230 H LEU 32 H LEU 32 -6.660 4.350 -33.698 231 HA LEU 32 HA LEU 32 -6.699 5.866 -35.391 232 HB2 LEU 32 HB2 LEU 32 -9.130 5.502 -35.172 233 HB3 LEU 32 HB3 LEU 32 -9.205 6.841 -34.029 234 HG LEU 32 HG LEU 32 -9.932 7.259 -36.455 235 HD11 LEU 32 HD11 LEU 32 -9.545 9.474 -36.144 236 HD12 LEU 32 HD12 LEU 32 -7.858 9.233 -35.691 237 HD13 LEU 32 HD13 LEU 32 -9.139 8.904 -34.525 238 HD21 LEU 32 HD21 LEU 32 -7.021 7.717 -36.955 239 HD22 LEU 32 HD22 LEU 32 -8.345 7.542 -38.108 240 HD23 LEU 32 HD23 LEU 32 -7.728 6.129 -37.251 241 H LYS 33 H LYS 33 -4.937 7.120 -35.072 242 HA LYS 33 HA LYS 33 -5.268 9.823 -34.365 243 HB2 LYS 33 HB2 LYS 33 -3.894 9.903 -32.324 244 HB3 LYS 33 HB3 LYS 33 -5.378 8.992 -32.079 245 HG2 LYS 33 HG2 LYS 33 -4.239 6.935 -32.075 246 HG3 LYS 33 HG3 LYS 33 -2.770 7.658 -32.734 247 HD2 LYS 33 HD2 LYS 33 -3.420 9.029 -30.334 248 HD3 LYS 33 HD3 LYS 33 -3.506 7.296 -30.010 249 HE2 LYS 33 HE2 LYS 33 -1.259 7.018 -30.946 250 HE3 LYS 33 HE3 LYS 33 -1.176 8.750 -31.262 251 HZ1 LYS 33 HZ1 LYS 33 -1.059 9.236 -29.014 252 HZ2 LYS 33 HZ2 LYS 33 -0.098 7.850 -29.142 253 HZ3 LYS 33 HZ3 LYS 33 -1.674 7.734 -28.537 254 H ASN 34 H ASN 34 -3.193 11.022 -34.392 255 HA ASN 34 HA ASN 34 -0.780 9.746 -35.166 256 HB2 ASN 34 HB2 ASN 34 -0.790 10.836 -37.513 257 HB3 ASN 34 HB3 ASN 34 -1.670 9.326 -37.291 258 HD21 ASN 34 HD21 ASN 34 -3.294 9.472 -38.690 259 HD22 ASN 34 HD22 ASN 34 -4.441 10.762 -38.756 260 H ASP 35 H ASP 35 0.935 11.127 -35.038 261 HA ASP 35 HA ASP 35 0.301 13.888 -34.276 262 HB2 ASP 35 HB2 ASP 35 1.703 12.224 -32.826 263 HB3 ASP 35 HB3 ASP 35 3.008 12.644 -33.933 264 H CYS 36 H CYS 36 0.753 15.516 -35.599 265 HA CYS 36 HA CYS 36 1.609 15.269 -38.196 266 HB2 CYS 36 HB2 CYS 36 1.322 17.495 -36.286 267 HB3 CYS 36 HB3 CYS 36 2.442 17.802 -37.610 268 H TRP 37 H TRP 37 3.603 16.228 -39.191 269 HA TRP 37 HA TRP 37 5.970 15.391 -37.649 270 HB2 TRP 37 HB2 TRP 37 7.042 14.929 -39.823 271 HB3 TRP 37 HB3 TRP 37 5.575 13.980 -39.599 272 HD1 TRP 37 HD1 TRP 37 3.374 14.825 -41.016 273 HE1 TRP 37 HE1 TRP 37 3.244 15.989 -43.309 274 HE3 TRP 37 HE3 TRP 37 8.188 16.516 -41.344 275 HZ2 TRP 37 HZ2 TRP 37 4.955 17.432 -45.028 276 HZ3 TRP 37 HZ3 TRP 37 8.860 17.779 -43.346 277 HH2 TRP 37 HH2 TRP 37 7.276 18.226 -45.149 278 H CYS 38 H CYS 38 7.961 16.439 -39.198 279 HA CYS 38 HA CYS 38 8.336 18.976 -38.252 280 HB2 CYS 38 HB2 CYS 38 9.691 17.247 -40.012 281 HB3 CYS 38 HB3 CYS 38 9.537 18.779 -40.867 282 H CYS 39 H CYS 39 8.319 21.073 -39.271 283 HA CYS 39 HA CYS 39 6.148 21.348 -41.246 284 HB2 CYS 39 HB2 CYS 39 6.242 22.384 -38.681 285 HB3 CYS 39 HB3 CYS 39 6.742 23.743 -39.683 286 H LEU 40 H LEU 40 6.477 24.042 -41.814 287 HA LEU 40 HA LEU 40 8.254 24.073 -43.897 288 HB2 LEU 40 HB2 LEU 40 6.557 25.914 -42.647 289 HB3 LEU 40 HB3 LEU 40 8.139 26.690 -42.700 290 HG LEU 40 HG LEU 40 6.783 25.528 -45.127 291 HD11 LEU 40 HD11 LEU 40 5.494 27.391 -43.997 292 HD12 LEU 40 HD12 LEU 40 5.959 27.665 -45.676 293 HD13 LEU 40 HD13 LEU 40 6.864 28.436 -44.374 294 HD21 LEU 40 HD21 LEU 40 8.989 27.567 -44.909 295 HD22 LEU 40 HD22 LEU 40 8.396 26.772 -46.367 296 HD23 LEU 40 HD23 LEU 40 9.266 25.841 -45.146 297 H ARG 41 H ARG 41 8.861 25.809 -40.837 298 HA ARG 41 HA ARG 41 11.530 24.802 -40.627 299 HB2 ARG 41 HB2 ARG 41 12.692 26.946 -40.911 300 HB3 ARG 41 HB3 ARG 41 11.903 26.438 -42.398 301 HG2 ARG 41 HG2 ARG 41 10.153 28.025 -42.103 302 HG3 ARG 41 HG3 ARG 41 10.706 28.413 -40.473 303 HD2 ARG 41 HD2 ARG 41 11.325 30.093 -42.224 304 HD3 ARG 41 HD3 ARG 41 12.683 29.446 -41.306 305 HE ARG 41 HE ARG 41 12.253 27.964 -43.691 306 HH11 ARG 41 HH11 ARG 41 13.573 30.949 -42.479 307 HH12 ARG 41 HH12 ARG 41 14.705 31.128 -43.778 308 HH21 ARG 41 HH21 ARG 41 13.740 28.188 -45.407 309 HH22 ARG 41 HH22 ARG 41 14.799 29.557 -45.443 310 H LEU 42 H LEU 42 12.264 24.972 -38.575 311 HA LEU 42 HA LEU 42 11.136 26.966 -36.780 312 HB2 LEU 42 HB2 LEU 42 10.785 25.041 -35.086 313 HB3 LEU 42 HB3 LEU 42 9.550 25.371 -36.298 314 HG LEU 42 HG LEU 42 11.418 23.411 -37.278 315 HD11 LEU 42 HD11 LEU 42 11.486 21.817 -35.687 316 HD12 LEU 42 HD12 LEU 42 9.902 22.241 -35.038 317 HD13 LEU 42 HD13 LEU 42 11.320 23.195 -34.599 318 HD21 LEU 42 HD21 LEU 42 9.524 22.427 -38.055 319 HD22 LEU 42 HD22 LEU 42 8.878 24.040 -37.751 320 HD23 LEU 42 HD23 LEU 42 8.615 22.749 -36.579 321 H LYS 43 H LYS 43 12.166 26.701 -34.528 322 HA LYS 43 HA LYS 43 14.988 25.921 -34.866 323 HB2 LYS 43 HB2 LYS 43 15.429 27.737 -33.126 324 HB3 LYS 43 HB3 LYS 43 15.004 28.273 -34.746 325 HG2 LYS 43 HG2 LYS 43 12.982 29.099 -34.096 326 HG3 LYS 43 HG3 LYS 43 12.814 27.948 -32.768 327 HD2 LYS 43 HD2 LYS 43 13.628 29.433 -31.327 328 HD3 LYS 43 HD3 LYS 43 15.088 29.628 -32.301 329 HE2 LYS 43 HE2 LYS 43 14.117 31.774 -32.145 330 HE3 LYS 43 HE3 LYS 43 13.743 31.190 -33.766 331 HZ1 LYS 43 HZ1 LYS 43 11.854 32.259 -32.572 332 HZ2 LYS 43 HZ2 LYS 43 11.868 30.969 -31.479 333 HZ3 LYS 43 HZ3 LYS 43 11.534 30.688 -33.114 334 H THR 44 H THR 44 12.227 26.091 -32.698 335 HA THR 44 HA THR 44 13.639 24.296 -30.834 336 HB THR 44 HB THR 44 12.931 26.529 -29.907 337 HG1 THR 44 HG1 THR 44 12.466 25.583 -28.000 338 HG21 THR 44 HG21 THR 44 10.788 26.663 -31.160 339 HG22 THR 44 HG22 THR 44 10.596 26.912 -29.424 340 HG23 THR 44 HG23 THR 44 10.155 25.365 -30.147 341 H LYS 45 H LYS 45 10.652 24.895 -32.586 342 HA LYS 45 HA LYS 45 10.022 22.225 -32.983 343 HB2 LYS 45 HB2 LYS 45 9.590 21.862 -30.702 344 HB3 LYS 45 HB3 LYS 45 8.801 23.422 -30.511 345 HG2 LYS 45 HG2 LYS 45 6.896 22.653 -31.790 346 HG3 LYS 45 HG3 LYS 45 7.694 21.107 -32.088 347 HD2 LYS 45 HD2 LYS 45 6.980 22.177 -29.358 348 HD3 LYS 45 HD3 LYS 45 6.013 21.013 -30.266 349 HE2 LYS 45 HE2 LYS 45 8.410 19.795 -30.349 350 HE3 LYS 45 HE3 LYS 45 8.562 20.655 -28.818 351 HZ1 LYS 45 HZ1 LYS 45 7.645 18.559 -28.325 352 HZ2 LYS 45 HZ2 LYS 45 6.514 18.655 -29.579 353 HZ3 LYS 45 HZ3 LYS 45 6.356 19.649 -28.220 354 H GLN 46 H GLN 46 8.871 25.497 -32.536 355 HA GLN 46 HA GLN 46 7.159 25.160 -34.890 356 HB2 GLN 46 HB2 GLN 46 5.382 26.506 -33.827 357 HB3 GLN 46 HB3 GLN 46 5.653 24.980 -32.997 358 HG2 GLN 46 HG2 GLN 46 5.847 26.108 -31.109 359 HG3 GLN 46 HG3 GLN 46 7.333 26.819 -31.737 360 HE21 GLN 46 HE21 GLN 46 7.393 28.940 -32.076 361 HE22 GLN 46 HE22 GLN 46 6.031 30.002 -32.016 362 H ALA 47 H ALA 47 6.775 27.085 -36.076 363 HA ALA 47 HA ALA 47 7.684 29.634 -35.364 364 HB1 ALA 47 HB1 ALA 47 9.843 28.056 -35.758 365 HB2 ALA 47 HB2 ALA 47 9.603 28.695 -37.384 366 HB3 ALA 47 HB3 ALA 47 9.827 29.799 -36.028 367 H ARG 48 H ARG 48 8.121 27.765 -38.370 368 HA ARG 48 HA ARG 48 6.122 29.522 -39.636 369 HB2 ARG 48 HB2 ARG 48 8.468 28.274 -41.063 370 HB3 ARG 48 HB3 ARG 48 7.382 29.523 -41.659 371 HG2 ARG 48 HG2 ARG 48 9.300 29.869 -39.364 372 HG3 ARG 48 HG3 ARG 48 9.605 30.378 -41.026 373 HD2 ARG 48 HD2 ARG 48 7.073 31.311 -39.844 374 HD3 ARG 48 HD3 ARG 48 8.540 31.972 -39.123 375 HE ARG 48 HE ARG 48 8.655 32.126 -41.950 376 HH11 ARG 48 HH11 ARG 48 7.162 33.601 -39.172 377 HH12 ARG 48 HH12 ARG 48 6.967 35.145 -39.933 378 HH21 ARG 48 HH21 ARG 48 8.404 34.154 -42.963 379 HH22 ARG 48 HH22 ARG 48 7.673 35.458 -42.090 380 H CYS 49 H CYS 49 4.375 28.476 -40.295 381 HA CYS 49 HA CYS 49 4.577 25.906 -41.600 382 HB2 CYS 49 HB2 CYS 49 4.130 25.910 -38.857 383 HB3 CYS 49 HB3 CYS 49 2.518 25.737 -39.545 384 H TRP 50 H TRP 50 2.128 25.114 -41.952 385 HA TRP 50 HA TRP 50 0.668 27.479 -42.932 386 HB2 TRP 50 HB2 TRP 50 -0.324 25.787 -44.597 387 HB3 TRP 50 HB3 TRP 50 1.343 26.299 -44.849 388 HD1 TRP 50 HD1 TRP 50 -0.759 23.247 -44.296 389 HE1 TRP 50 HE1 TRP 50 0.743 21.157 -44.221 390 HE3 TRP 50 HE3 TRP 50 3.804 25.535 -44.013 391 HZ2 TRP 50 HZ2 TRP 50 3.496 20.558 -44.062 392 HZ3 TRP 50 HZ3 TRP 50 5.823 24.132 -43.902 393 HH2 TRP 50 HH2 TRP 50 5.670 21.695 -43.925 394 H LYS 51 H LYS 51 -1.403 27.752 -42.336 395 HA LYS 51 HA LYS 51 -2.477 26.137 -40.245 396 HB2 LYS 51 HB2 LYS 51 -2.948 28.711 -41.305 397 HB3 LYS 51 HB3 LYS 51 -4.465 27.833 -41.445 398 HG2 LYS 51 HG2 LYS 51 -4.634 28.810 -39.363 399 HG3 LYS 51 HG3 LYS 51 -4.050 27.189 -38.977 400 HD2 LYS 51 HD2 LYS 51 -1.878 29.048 -39.490 401 HD3 LYS 51 HD3 LYS 51 -2.919 29.585 -38.169 402 HE2 LYS 51 HE2 LYS 51 -2.450 27.733 -36.873 403 HE3 LYS 51 HE3 LYS 51 -2.004 26.745 -38.263 404 HZ1 LYS 51 HZ1 LYS 51 -0.138 28.653 -38.356 405 HZ2 LYS 51 HZ2 LYS 51 0.066 27.177 -37.557 406 HZ3 LYS 51 HZ3 LYS 51 -0.385 28.554 -36.685 407 H GLU 52 H GLU 52 -3.739 24.400 -40.376 408 HA GLU 52 HA GLU 52 -4.349 23.162 -42.823 409 HB2 GLU 52 HB2 GLU 52 -4.130 21.835 -40.831 410 HB3 GLU 52 HB3 GLU 52 -5.436 22.709 -40.043 411 HG2 GLU 52 HG2 GLU 52 -7.060 21.750 -41.493 412 HG3 GLU 52 HG3 GLU 52 -5.810 21.050 -42.521 413 H LYS 53 H LYS 53 -5.910 25.678 -41.154 414 HA LYS 53 HA LYS 53 -8.570 25.190 -42.098 415 HB2 LYS 53 HB2 LYS 53 -8.983 27.533 -41.328 416 HB3 LYS 53 HB3 LYS 53 -8.305 26.480 -40.093 417 HG2 LYS 53 HG2 LYS 53 -6.123 27.452 -40.396 418 HG3 LYS 53 HG3 LYS 53 -6.710 28.429 -41.744 419 HD2 LYS 53 HD2 LYS 53 -8.366 28.846 -39.437 420 HD3 LYS 53 HD3 LYS 53 -6.672 29.103 -39.015 421 HE2 LYS 53 HE2 LYS 53 -6.594 30.504 -41.188 422 HE3 LYS 53 HE3 LYS 53 -8.352 30.518 -41.053 423 HZ1 LYS 53 HZ1 LYS 53 -7.452 32.459 -40.001 424 HZ2 LYS 53 HZ2 LYS 53 -6.416 31.529 -39.041 425 HZ3 LYS 53 HZ3 LYS 53 -8.089 31.447 -38.803 426 H GLU 54 H GLU 54 -5.820 27.105 -43.182 427 HA GLU 54 HA GLU 54 -7.364 27.987 -45.518 428 HB2 GLU 54 HB2 GLU 54 -4.835 28.997 -44.238 429 HB3 GLU 54 HB3 GLU 54 -5.290 29.468 -45.870 430 HG2 GLU 54 HG2 GLU 54 -7.244 30.555 -45.118 431 HG3 GLU 54 HG3 GLU 54 -7.110 29.840 -43.512 432 H PHE 55 H PHE 55 -5.168 25.648 -44.573 433 HA PHE 55 HA PHE 55 -4.397 25.170 -47.372 434 HB2 PHE 55 HB2 PHE 55 -2.686 25.407 -44.982 435 HB3 PHE 55 HB3 PHE 55 -2.343 24.017 -46.006 436 HD1 PHE 55 HD1 PHE 55 -2.919 27.690 -46.240 437 HD2 PHE 55 HD2 PHE 55 -0.909 24.272 -47.788 438 HE1 PHE 55 HE1 PHE 55 -1.641 29.136 -47.766 439 HE2 PHE 55 HE2 PHE 55 0.372 25.713 -49.315 440 HZ PHE 55 HZ PHE 55 0.008 28.148 -49.306 441 HA PRO 56 HA PRO 56 -6.533 21.368 -46.345 442 HB2 PRO 56 HB2 PRO 56 -6.493 20.379 -48.873 443 HB3 PRO 56 HB3 PRO 56 -7.642 21.613 -48.342 444 HG2 PRO 56 HG2 PRO 56 -5.088 21.936 -49.870 445 HG3 PRO 56 HG3 PRO 56 -6.656 22.721 -50.133 446 HD2 PRO 56 HD2 PRO 56 -4.602 23.954 -48.871 447 HD3 PRO 56 HD3 PRO 56 -6.301 24.271 -48.464 448 H ASN 57 H ASN 57 -3.506 21.664 -48.124 449 HA ASN 57 HA ASN 57 -2.738 18.980 -48.160 450 HB2 ASN 57 HB2 ASN 57 -1.542 21.507 -48.749 451 HB3 ASN 57 HB3 ASN 57 -0.413 20.574 -47.771 452 HD21 ASN 57 HD21 ASN 57 -0.625 18.083 -48.526 453 HD22 ASN 57 HD22 ASN 57 -0.325 17.881 -50.215 454 H ALA 58 H ALA 58 -2.682 21.337 -45.599 455 HA ALA 58 HA ALA 58 -0.832 20.169 -43.865 456 HB1 ALA 58 HB1 ALA 58 -2.936 21.268 -42.315 457 HB2 ALA 58 HB2 ALA 58 -1.365 21.975 -42.696 458 HB3 ALA 58 HB3 ALA 58 -2.743 22.267 -43.756 459 H LYS 59 H LYS 59 -4.357 19.698 -44.049 460 HA LYS 59 HA LYS 59 -4.434 17.723 -42.008 461 HB2 LYS 59 HB2 LYS 59 -6.706 17.583 -42.424 462 HB3 LYS 59 HB3 LYS 59 -6.342 19.205 -42.999 463 HG2 LYS 59 HG2 LYS 59 -7.575 18.466 -44.752 464 HG3 LYS 59 HG3 LYS 59 -5.984 17.918 -45.284 465 HD2 LYS 59 HD2 LYS 59 -6.760 15.797 -43.803 466 HD3 LYS 59 HD3 LYS 59 -8.326 16.367 -44.386 467 HE2 LYS 59 HE2 LYS 59 -6.306 16.334 -46.474 468 HE3 LYS 59 HE3 LYS 59 -6.551 14.744 -45.753 469 HZ1 LYS 59 HZ1 LYS 59 -8.829 14.794 -46.301 470 HZ2 LYS 59 HZ2 LYS 59 -8.013 15.297 -47.694 471 HZ3 LYS 59 HZ3 LYS 59 -8.788 16.435 -46.712 472 H GLU 60 H GLU 60 -4.076 17.619 -45.499 473 HA GLU 60 HA GLU 60 -4.481 14.839 -45.820 474 HB2 GLU 60 HB2 GLU 60 -4.042 16.992 -47.506 475 HB3 GLU 60 HB3 GLU 60 -2.595 16.015 -47.710 476 HG2 GLU 60 HG2 GLU 60 -3.674 14.500 -48.916 477 HG3 GLU 60 HG3 GLU 60 -4.992 14.398 -47.750 478 H LEU 61 H LEU 61 -1.537 16.785 -45.421 479 HA LEU 61 HA LEU 61 0.252 14.590 -45.547 480 HB2 LEU 61 HB2 LEU 61 0.648 17.274 -44.234 481 HB3 LEU 61 HB3 LEU 61 1.917 16.136 -44.683 482 HG LEU 61 HG LEU 61 0.134 17.131 -46.841 483 HD11 LEU 61 HD11 LEU 61 1.248 19.199 -47.081 484 HD12 LEU 61 HD12 LEU 61 2.419 18.800 -45.824 485 HD13 LEU 61 HD13 LEU 61 0.738 19.111 -45.395 486 HD21 LEU 61 HD21 LEU 61 2.344 17.120 -48.034 487 HD22 LEU 61 HD22 LEU 61 1.799 15.548 -47.451 488 HD23 LEU 61 HD23 LEU 61 3.050 16.429 -46.573 489 H CYS 62 H CYS 62 -1.245 16.340 -42.854 490 HA CYS 62 HA CYS 62 0.081 15.004 -40.771 491 HB2 CYS 62 HB2 CYS 62 -2.312 16.709 -41.041 492 HB3 CYS 62 HB3 CYS 62 -2.326 15.621 -39.657 493 H PHE 63 H PHE 63 -2.909 14.263 -42.501 494 HA PHE 63 HA PHE 63 -3.581 12.016 -40.874 495 HB2 PHE 63 HB2 PHE 63 -4.604 13.219 -43.396 496 HB3 PHE 63 HB3 PHE 63 -5.002 11.533 -43.083 497 HD1 PHE 63 HD2 PHE 63 -4.838 14.660 -41.046 498 HD2 PHE 63 HD1 PHE 63 -7.093 11.244 -42.211 499 HE1 PHE 63 HE2 PHE 63 -6.673 15.373 -39.570 500 HE2 PHE 63 HE1 PHE 63 -8.933 11.951 -40.738 501 HZ PHE 63 HZ PHE 63 -8.724 14.017 -39.414 502 H ALA 64 H ALA 64 -1.834 12.473 -43.891 503 HA ALA 64 HA ALA 64 -1.607 9.685 -44.487 504 HB1 ALA 64 HB1 ALA 64 0.026 11.992 -45.539 505 HB2 ALA 64 HB2 ALA 64 -0.075 10.374 -46.235 506 HB3 ALA 64 HB3 ALA 64 -1.495 11.420 -46.226 507 H ASN 65 H ASN 65 0.169 11.943 -42.549 508 HA ASN 65 HA ASN 65 2.693 10.847 -42.451 509 HB2 ASN 65 HB2 ASN 65 2.502 12.806 -41.232 510 HB3 ASN 65 HB3 ASN 65 1.006 12.299 -40.453 511 HD21 ASN 65 HD21 ASN 65 1.096 11.412 -38.490 512 HD22 ASN 65 HD22 ASN 65 2.552 11.005 -37.653 513 H CYS 66 H CYS 66 3.170 8.757 -42.261 514 HA CYS 66 HA CYS 66 2.275 7.321 -39.899 515 HB2 CYS 66 HB2 CYS 66 1.282 6.768 -42.597 516 HB3 CYS 66 HB3 CYS 66 1.984 5.356 -41.813 517 HA PRO 67 HA PRO 67 6.290 5.559 -39.994 518 HB2 PRO 67 HB2 PRO 67 5.852 3.039 -39.083 519 HB3 PRO 67 HB3 PRO 67 5.757 4.466 -38.044 520 HG2 PRO 67 HG2 PRO 67 3.549 2.928 -39.356 521 HG3 PRO 67 HG3 PRO 67 3.634 3.579 -37.709 522 HD2 PRO 67 HD2 PRO 67 2.271 4.815 -39.695 523 HD3 PRO 67 HD3 PRO 67 3.071 5.709 -38.386 524 HA PRO 68 HA PRO 68 7.101 3.223 -43.630 525 HB2 PRO 68 HB2 PRO 68 9.202 1.670 -42.893 526 HB3 PRO 68 HB3 PRO 68 9.340 3.413 -43.151 527 HG2 PRO 68 HG2 PRO 68 9.054 1.893 -40.587 528 HG3 PRO 68 HG3 PRO 68 10.115 3.263 -40.963 529 HD2 PRO 68 HD2 PRO 68 7.791 3.551 -39.603 530 HD3 PRO 68 HD3 PRO 68 8.429 4.809 -40.682 531 H LEU 69 H LEU 69 6.620 1.310 -44.655 532 HA LEU 69 HA LEU 69 5.615 -0.861 -42.936 533 HB2 LEU 69 HB2 LEU 69 4.751 -0.309 -45.762 534 HB3 LEU 69 HB3 LEU 69 3.988 -1.374 -44.583 535 HG LEU 69 HG LEU 69 3.709 0.932 -43.276 536 HD11 LEU 69 HD11 LEU 69 4.837 1.896 -45.532 537 HD12 LEU 69 HD12 LEU 69 3.735 2.813 -44.506 538 HD13 LEU 69 HD13 LEU 69 3.127 2.005 -45.951 539 HD21 LEU 69 HD21 LEU 69 1.800 0.419 -45.513 540 HD22 LEU 69 HD22 LEU 69 1.476 0.823 -43.827 541 HD23 LEU 69 HD23 LEU 69 2.020 -0.799 -44.257 542 H GLU 70 H GLU 70 8.354 -0.493 -43.915 543 HA GLU 70 HA GLU 70 8.839 -2.255 -46.087 544 HB2 GLU 70 HB2 GLU 70 10.478 -0.579 -45.507 545 HB3 GLU 70 HB3 GLU 70 10.650 -1.247 -43.890 546 HG2 GLU 70 HG2 GLU 70 12.517 -1.826 -45.381 547 HG3 GLU 70 HG3 GLU 70 11.666 -3.239 -44.760 Start of MODEL 11 1 H1 GLY 1 H GLY 1 0.928 -0.290 -2.024 2 HA2 GLY 1 HA2 GLY 1 2.127 -2.053 -3.538 3 HA3 GLY 1 HA3 GLY 1 2.784 -2.559 -1.989 4 HA PRO 2 HA PRO 2 -0.730 -5.025 -1.125 5 HB2 PRO 2 HB2 PRO 2 -1.325 -4.460 1.463 6 HB3 PRO 2 HB3 PRO 2 0.104 -5.385 0.985 7 HG2 PRO 2 HG2 PRO 2 -0.124 -2.489 1.711 8 HG3 PRO 2 HG3 PRO 2 1.114 -3.668 2.185 9 HD2 PRO 2 HD2 PRO 2 1.505 -1.859 0.208 10 HD3 PRO 2 HD3 PRO 2 2.244 -3.473 0.186 11 H GLU 3 H GLU 3 -2.986 -4.867 0.163 12 HA GLU 3 HA GLU 3 -5.126 -4.102 -0.005 13 HB2 GLU 3 HB2 GLU 3 -3.558 -1.616 0.603 14 HB3 GLU 3 HB3 GLU 3 -5.294 -1.528 0.338 15 HG2 GLU 3 HG2 GLU 3 -5.694 -2.193 2.405 16 HG3 GLU 3 HG3 GLU 3 -4.720 -3.644 2.171 17 H LYS 4 H LYS 4 -3.624 -4.409 -2.473 18 HA LYS 4 HA LYS 4 -5.202 -2.587 -4.157 19 HB2 LYS 4 HB2 LYS 4 -2.292 -2.972 -4.105 20 HB3 LYS 4 HB3 LYS 4 -3.001 -3.108 -5.709 21 HG2 LYS 4 HG2 LYS 4 -4.215 -0.871 -4.900 22 HG3 LYS 4 HG3 LYS 4 -2.739 -0.758 -3.939 23 HD2 LYS 4 HD2 LYS 4 -1.472 -1.190 -6.094 24 HD3 LYS 4 HD3 LYS 4 -3.002 -0.925 -6.933 25 HE2 LYS 4 HE2 LYS 4 -2.950 1.301 -6.587 26 HE3 LYS 4 HE3 LYS 4 -2.287 1.135 -4.962 27 HZ1 LYS 4 HZ1 LYS 4 -0.268 0.333 -6.627 28 HZ2 LYS 4 HZ2 LYS 4 -0.376 1.818 -5.826 29 HZ3 LYS 4 HZ3 LYS 4 -0.938 1.672 -7.415 30 H MET 5 H MET 5 -5.430 -3.418 -6.421 31 HA MET 5 HA MET 5 -5.404 -6.359 -6.509 32 HB2 MET 5 HB2 MET 5 -7.647 -4.552 -7.429 33 HB3 MET 5 HB3 MET 5 -7.579 -6.289 -7.693 34 HG2 MET 5 HG2 MET 5 -8.345 -6.728 -5.657 35 HG3 MET 5 HG3 MET 5 -7.223 -5.596 -4.905 36 HE1 MET 5 HE1 MET 5 -10.214 -6.709 -4.823 37 HE2 MET 5 HE2 MET 5 -11.039 -5.408 -3.963 38 HE3 MET 5 HE3 MET 5 -11.395 -5.705 -5.666 39 H GLU 6 H GLU 6 -5.944 -3.469 -8.532 40 HA GLU 6 HA GLU 6 -3.895 -4.280 -10.374 41 HB2 GLU 6 HB2 GLU 6 -6.547 -5.176 -10.850 42 HB3 GLU 6 HB3 GLU 6 -6.202 -3.916 -12.027 43 HG2 GLU 6 HG2 GLU 6 -4.496 -5.110 -13.010 44 HG3 GLU 6 HG3 GLU 6 -4.219 -6.097 -11.576 45 H VAL 7 H VAL 7 -6.795 -2.245 -10.030 46 HA VAL 7 HA VAL 7 -7.190 -0.097 -10.785 47 HB VAL 7 HB VAL 7 -5.674 1.545 -9.696 48 HG11 VAL 7 HG11 VAL 7 -6.851 1.246 -7.831 49 HG12 VAL 7 HG12 VAL 7 -7.419 -0.276 -8.522 50 HG13 VAL 7 HG13 VAL 7 -6.008 -0.259 -7.463 51 HG21 VAL 7 HG21 VAL 7 -3.804 0.847 -8.395 52 HG22 VAL 7 HG22 VAL 7 -4.174 -0.856 -8.664 53 HG23 VAL 7 HG23 VAL 7 -3.611 0.146 -10.002 54 H LYS 8 H LYS 8 -6.188 -1.404 -12.921 55 HA LYS 8 HA LYS 8 -4.199 0.457 -14.046 56 HB2 LYS 8 HB2 LYS 8 -3.414 -1.284 -15.474 57 HB3 LYS 8 HB3 LYS 8 -3.501 -1.954 -13.850 58 HG2 LYS 8 HG2 LYS 8 -5.658 -2.997 -14.425 59 HG3 LYS 8 HG3 LYS 8 -5.490 -2.380 -16.071 60 HD2 LYS 8 HD2 LYS 8 -3.262 -3.984 -14.915 61 HD3 LYS 8 HD3 LYS 8 -4.724 -4.824 -15.437 62 HE2 LYS 8 HE2 LYS 8 -3.553 -2.828 -17.293 63 HE3 LYS 8 HE3 LYS 8 -2.677 -4.343 -17.076 64 HZ1 LYS 8 HZ1 LYS 8 -5.568 -4.382 -17.633 65 HZ2 LYS 8 HZ2 LYS 8 -4.404 -5.567 -17.949 66 HZ3 LYS 8 HZ3 LYS 8 -4.469 -4.171 -18.902 67 H GLU 9 H GLU 9 -4.454 -0.072 -16.700 68 HA GLU 9 HA GLU 9 -7.274 0.315 -17.379 69 HB2 GLU 9 HB2 GLU 9 -6.787 2.269 -18.748 70 HB3 GLU 9 HB3 GLU 9 -6.323 2.564 -17.078 71 HG2 GLU 9 HG2 GLU 9 -4.142 2.757 -17.574 72 HG3 GLU 9 HG3 GLU 9 -4.199 1.498 -18.805 73 H ILE 10 H ILE 10 -7.091 0.844 -20.025 74 HA ILE 10 HA ILE 10 -6.049 -1.670 -21.055 75 HB ILE 10 HB ILE 10 -7.607 0.430 -22.560 76 HG12 ILE 10 HG12 ILE 10 -9.204 -1.836 -21.905 77 HG13 ILE 10 HG13 ILE 10 -8.468 -1.250 -20.417 78 HG21 ILE 10 HG21 ILE 10 -8.258 -1.711 -23.852 79 HG22 ILE 10 HG22 ILE 10 -6.674 -0.992 -24.136 80 HG23 ILE 10 HG23 ILE 10 -6.825 -2.408 -23.096 81 HD11 ILE 10 HD11 ILE 10 -10.690 -0.276 -20.902 82 HD12 ILE 10 HD12 ILE 10 -9.408 0.925 -20.743 83 HD13 ILE 10 HD13 ILE 10 -10.003 0.477 -22.341 84 H GLY 11 H GLY 11 -3.841 -0.536 -20.520 85 HA2 GLY 11 HA2 GLY 11 -2.908 1.373 -22.451 86 HA3 GLY 11 HA3 GLY 11 -1.928 0.524 -21.264 87 H ARG 12 H ARG 12 -3.199 0.486 -24.501 88 HA ARG 12 HA ARG 12 -1.062 -1.169 -25.413 89 HB2 ARG 12 HB2 ARG 12 -2.587 -2.947 -26.373 90 HB3 ARG 12 HB3 ARG 12 -2.344 -3.005 -24.632 91 HG2 ARG 12 HG2 ARG 12 -4.498 -2.516 -24.175 92 HG3 ARG 12 HG3 ARG 12 -4.664 -1.446 -25.569 93 HD2 ARG 12 HD2 ARG 12 -4.292 -3.936 -26.702 94 HD3 ARG 12 HD3 ARG 12 -5.300 -4.271 -25.294 95 HE ARG 12 HE ARG 12 -6.350 -2.063 -26.679 96 HH11 ARG 12 HH11 ARG 12 -5.952 -5.505 -27.014 97 HH12 ARG 12 HH12 ARG 12 -7.351 -5.701 -28.017 98 HH21 ARG 12 HH21 ARG 12 -8.195 -2.308 -27.998 99 HH22 ARG 12 HH22 ARG 12 -8.626 -3.881 -28.576 100 H SER 13 H SER 13 -0.761 0.671 -26.730 101 HA SER 13 HA SER 13 -2.612 0.788 -29.014 102 HB2 SER 13 HB2 SER 13 -1.395 3.341 -28.698 103 HB3 SER 13 HB3 SER 13 -3.105 2.927 -28.573 104 HG SER 13 HG SER 13 -2.434 3.844 -26.642 105 H SER 14 H SER 14 -1.373 2.405 -30.707 106 HA SER 14 HA SER 14 1.356 1.333 -30.989 107 HB2 SER 14 HB2 SER 14 -0.891 1.396 -32.967 108 HB3 SER 14 HB3 SER 14 0.768 1.537 -33.549 109 HG SER 14 HG SER 14 0.356 -0.611 -33.517 110 H LYS 15 H LYS 15 0.433 3.886 -29.910 111 HA LYS 15 HA LYS 15 0.791 5.950 -31.820 112 HB2 LYS 15 HB2 LYS 15 0.726 7.450 -30.005 113 HB3 LYS 15 HB3 LYS 15 -0.315 6.116 -29.527 114 HG2 LYS 15 HG2 LYS 15 2.564 6.216 -28.706 115 HG3 LYS 15 HG3 LYS 15 1.311 7.062 -27.795 116 HD2 LYS 15 HD2 LYS 15 1.063 5.132 -26.687 117 HD3 LYS 15 HD3 LYS 15 0.220 4.568 -28.132 118 HE2 LYS 15 HE2 LYS 15 1.953 3.264 -28.796 119 HE3 LYS 15 HE3 LYS 15 3.170 4.367 -28.156 120 HZ1 LYS 15 HZ1 LYS 15 2.110 3.525 -25.896 121 HZ2 LYS 15 HZ2 LYS 15 3.379 2.707 -26.657 122 HZ3 LYS 15 HZ3 LYS 15 1.789 2.161 -26.843 123 H ILE 16 H ILE 16 2.571 7.219 -32.291 124 HA ILE 16 HA ILE 16 5.084 6.947 -30.994 125 HB ILE 16 HB ILE 16 6.046 6.135 -33.400 126 HG12 ILE 16 HG12 ILE 16 3.642 4.377 -32.903 127 HG13 ILE 16 HG13 ILE 16 3.645 5.674 -34.094 128 HG21 ILE 16 HG21 ILE 16 7.071 4.864 -31.894 129 HG22 ILE 16 HG22 ILE 16 5.740 5.052 -30.754 130 HG23 ILE 16 HG23 ILE 16 5.692 3.767 -31.960 131 HD11 ILE 16 HD11 ILE 16 5.857 4.368 -34.847 132 HD12 ILE 16 HD12 ILE 16 4.932 3.030 -34.165 133 HD13 ILE 16 HD13 ILE 16 4.247 4.002 -35.467 134 H ILE 17 H ILE 17 6.843 8.087 -32.268 135 HA ILE 17 HA ILE 17 5.647 10.291 -33.819 136 HB ILE 17 HB ILE 17 7.090 11.833 -32.861 137 HG12 ILE 17 HG12 ILE 17 9.170 10.595 -33.235 138 HG13 ILE 17 HG13 ILE 17 9.121 11.249 -31.601 139 HG21 ILE 17 HG21 ILE 17 6.548 9.823 -30.679 140 HG22 ILE 17 HG22 ILE 17 6.958 11.520 -30.430 141 HG23 ILE 17 HG23 ILE 17 5.449 11.086 -31.233 142 HD11 ILE 17 HD11 ILE 17 9.982 9.072 -31.414 143 HD12 ILE 17 HD12 ILE 17 8.309 8.975 -30.863 144 HD13 ILE 17 HD13 ILE 17 8.741 8.405 -32.475 145 H LEU 18 H LEU 18 7.226 11.389 -35.298 146 HA LEU 18 HA LEU 18 9.099 9.443 -36.474 147 HB2 LEU 18 HB2 LEU 18 6.924 9.830 -37.737 148 HB3 LEU 18 HB3 LEU 18 7.527 11.454 -38.062 149 HG LEU 18 HG LEU 18 8.999 8.955 -38.877 150 HD11 LEU 18 HD11 LEU 18 7.527 8.639 -40.501 151 HD12 LEU 18 HD12 LEU 18 7.892 10.250 -41.119 152 HD13 LEU 18 HD13 LEU 18 6.583 10.027 -39.959 153 HD21 LEU 18 HD21 LEU 18 9.672 10.946 -40.601 154 HD22 LEU 18 HD22 LEU 18 10.597 10.505 -39.166 155 HD23 LEU 18 HD23 LEU 18 9.451 11.844 -39.099 156 HA PRO 19 HA PRO 19 11.792 12.937 -35.566 157 HB2 PRO 19 HB2 PRO 19 14.092 11.547 -35.955 158 HB3 PRO 19 HB3 PRO 19 13.153 11.451 -34.461 159 HG2 PRO 19 HG2 PRO 19 13.208 9.569 -36.788 160 HG3 PRO 19 HG3 PRO 19 13.204 9.203 -35.053 161 HD2 PRO 19 HD2 PRO 19 10.972 9.051 -36.578 162 HD3 PRO 19 HD3 PRO 19 10.928 9.512 -34.865 163 H ALA 20 H ALA 20 12.880 14.359 -36.863 164 HA ALA 20 HA ALA 20 14.124 13.777 -39.298 165 HB1 ALA 20 HB1 ALA 20 12.282 15.061 -40.691 166 HB2 ALA 20 HB2 ALA 20 12.218 13.313 -40.463 167 HB3 ALA 20 HB3 ALA 20 11.218 14.370 -39.466 168 H CYS 21 H CYS 21 11.837 16.423 -38.696 169 HA CYS 21 HA CYS 21 14.066 18.223 -38.104 170 HB2 CYS 21 HB2 CYS 21 12.991 19.915 -39.691 171 HB3 CYS 21 HB3 CYS 21 13.884 18.590 -40.430 172 H MET 22 H MET 22 10.558 17.807 -38.365 173 HA MET 22 HA MET 22 10.213 19.812 -36.240 174 HB2 MET 22 HB2 MET 22 8.847 19.405 -38.676 175 HB3 MET 22 HB3 MET 22 7.727 18.948 -37.399 176 HG2 MET 22 HG2 MET 22 8.727 21.278 -36.427 177 HG3 MET 22 HG3 MET 22 8.748 21.581 -38.162 178 HE1 MET 22 HE1 MET 22 7.024 21.098 -35.019 179 HE2 MET 22 HE2 MET 22 6.381 22.697 -35.394 180 HE3 MET 22 HE3 MET 22 5.295 21.310 -35.301 181 H HIS 23 H HIS 23 7.768 19.129 -35.259 182 HA HIS 23 HA HIS 23 8.302 16.517 -34.011 183 HB2 HIS 23 HB2 HIS 23 7.249 19.093 -32.972 184 HB3 HIS 23 HB3 HIS 23 6.552 17.621 -32.303 185 HD1 HIS 23 HD1 HIS 23 7.690 18.360 -30.024 186 HD2 HIS 23 HD2 HIS 23 10.309 17.360 -33.090 187 HE1 HIS 23 HE1 HIS 23 9.922 18.017 -28.917 188 H GLU 24 H GLU 24 7.101 14.986 -34.936 189 HA GLU 24 HA GLU 24 4.253 15.568 -35.417 190 HB2 GLU 24 HB2 GLU 24 4.401 13.846 -37.261 191 HB3 GLU 24 HB3 GLU 24 5.231 15.365 -37.570 192 HG2 GLU 24 HG2 GLU 24 7.315 14.143 -36.662 193 HG3 GLU 24 HG3 GLU 24 6.384 12.678 -36.965 194 H THR 25 H THR 25 2.887 13.570 -35.447 195 HA THR 25 HA THR 25 3.876 11.260 -34.038 196 HB THR 25 HB THR 25 1.639 12.723 -32.665 197 HG1 THR 25 HG1 THR 25 4.423 12.954 -32.084 198 HG21 THR 25 HG21 THR 25 2.565 11.392 -30.721 199 HG22 THR 25 HG22 THR 25 3.582 10.554 -31.892 200 HG23 THR 25 HG23 THR 25 1.826 10.448 -32.013 201 H CYS 26 H CYS 26 2.166 9.612 -33.732 202 HA CYS 26 HA CYS 26 -0.305 9.971 -35.186 203 HB2 CYS 26 HB2 CYS 26 1.763 9.249 -36.746 204 HB3 CYS 26 HB3 CYS 26 1.274 7.658 -36.173 205 H SER 27 H SER 27 -1.854 8.441 -34.676 206 HA SER 27 HA SER 27 -1.266 6.009 -33.321 207 HB2 SER 27 HB2 SER 27 -0.816 7.629 -31.487 208 HB3 SER 27 HB3 SER 27 -2.473 8.214 -31.633 209 HG SER 27 HG SER 27 -1.992 5.474 -31.245 210 H GLY 28 H GLY 28 -2.900 4.638 -33.665 211 HA2 GLY 28 HA2 GLY 28 -5.627 5.683 -33.912 212 HA3 GLY 28 HA3 GLY 28 -4.954 4.811 -35.283 213 H GLY 29 H GLY 29 -4.612 4.167 -31.807 214 HA2 GLY 29 HA2 GLY 29 -6.042 1.620 -32.243 215 HA3 GLY 29 HA3 GLY 29 -4.522 1.677 -31.362 216 H PHE 30 H PHE 30 -4.695 3.647 -29.634 217 HA PHE 30 HA PHE 30 -7.203 3.210 -28.153 218 HB2 PHE 30 HB2 PHE 30 -5.495 1.893 -27.071 219 HB3 PHE 30 HB3 PHE 30 -4.383 3.258 -27.067 220 HD1 PHE 30 HD2 PHE 30 -7.655 2.131 -25.724 221 HD2 PHE 30 HD1 PHE 30 -4.292 4.696 -25.247 222 HE1 PHE 30 HE2 PHE 30 -8.475 2.787 -23.499 223 HE2 PHE 30 HE1 PHE 30 -5.106 5.355 -23.021 224 HZ PHE 30 HZ PHE 30 -7.201 4.401 -22.145 225 H SER 31 H SER 31 -4.494 5.346 -28.836 226 HA SER 31 HA SER 31 -5.645 7.538 -27.339 227 HB2 SER 31 HB2 SER 31 -3.101 7.001 -28.736 228 HB3 SER 31 HB3 SER 31 -3.647 8.677 -28.798 229 HG SER 31 HG SER 31 -2.502 8.522 -26.941 230 H LEU 32 H LEU 32 -5.147 6.669 -30.735 231 HA LEU 32 HA LEU 32 -6.044 7.460 -32.669 232 HB2 LEU 32 HB2 LEU 32 -8.114 6.738 -31.611 233 HB3 LEU 32 HB3 LEU 32 -8.257 8.295 -30.799 234 HG LEU 32 HG LEU 32 -8.109 8.905 -33.520 235 HD11 LEU 32 HD11 LEU 32 -10.364 7.032 -33.399 236 HD12 LEU 32 HD12 LEU 32 -8.772 6.279 -33.475 237 HD13 LEU 32 HD13 LEU 32 -9.271 7.414 -34.729 238 HD21 LEU 32 HD21 LEU 32 -10.363 9.692 -33.207 239 HD22 LEU 32 HD22 LEU 32 -9.429 10.021 -31.747 240 HD23 LEU 32 HD23 LEU 32 -10.563 8.670 -31.784 241 H LYS 33 H LYS 33 -4.180 9.041 -32.389 242 HA LYS 33 HA LYS 33 -5.215 11.705 -32.874 243 HB2 LYS 33 HB2 LYS 33 -3.119 11.248 -30.744 244 HB3 LYS 33 HB3 LYS 33 -3.750 12.803 -31.270 245 HG2 LYS 33 HG2 LYS 33 -5.960 12.193 -30.424 246 HG3 LYS 33 HG3 LYS 33 -5.322 10.636 -29.890 247 HD2 LYS 33 HD2 LYS 33 -5.141 11.804 -27.937 248 HD3 LYS 33 HD3 LYS 33 -3.574 12.193 -28.650 249 HE2 LYS 33 HE2 LYS 33 -4.613 14.262 -29.595 250 HE3 LYS 33 HE3 LYS 33 -6.067 13.889 -28.669 251 HZ1 LYS 33 HZ1 LYS 33 -3.466 14.053 -27.302 252 HZ2 LYS 33 HZ2 LYS 33 -5.018 14.316 -26.683 253 HZ3 LYS 33 HZ3 LYS 33 -4.300 15.474 -27.685 254 H ASN 34 H ASN 34 -3.115 13.203 -33.217 255 HA ASN 34 HA ASN 34 -0.799 11.962 -34.270 256 HB2 ASN 34 HB2 ASN 34 -1.191 12.556 -36.674 257 HB3 ASN 34 HB3 ASN 34 -2.206 11.244 -36.084 258 HD21 ASN 34 HD21 ASN 34 -4.214 11.356 -36.745 259 HD22 ASN 34 HD22 ASN 34 -5.104 12.798 -37.078 260 H ASP 35 H ASP 35 0.774 13.462 -34.921 261 HA ASP 35 HA ASP 35 0.057 16.278 -34.425 262 HB2 ASP 35 HB2 ASP 35 1.678 14.897 -32.826 263 HB3 ASP 35 HB3 ASP 35 2.864 15.348 -34.047 264 H CYS 36 H CYS 36 0.447 17.682 -36.011 265 HA CYS 36 HA CYS 36 1.091 16.987 -38.585 266 HB2 CYS 36 HB2 CYS 36 0.742 19.440 -37.110 267 HB3 CYS 36 HB3 CYS 36 2.051 19.617 -38.275 268 H TRP 37 H TRP 37 2.999 17.686 -39.890 269 HA TRP 37 HA TRP 37 5.488 17.149 -38.406 270 HB2 TRP 37 HB2 TRP 37 6.372 16.128 -40.434 271 HB3 TRP 37 HB3 TRP 37 4.857 15.353 -39.980 272 HD1 TRP 37 HD1 TRP 37 2.629 16.258 -41.435 273 HE1 TRP 37 HE1 TRP 37 2.500 16.833 -43.941 274 HE3 TRP 37 HE3 TRP 37 7.607 16.964 -42.363 275 HZ2 TRP 37 HZ2 TRP 37 4.274 17.498 -46.034 276 HZ3 TRP 37 HZ3 TRP 37 8.307 17.567 -44.644 277 HH2 TRP 37 HH2 TRP 37 6.674 17.827 -46.440 278 H CYS 38 H CYS 38 7.317 17.772 -40.363 279 HA CYS 38 HA CYS 38 7.810 20.435 -40.040 280 HB2 CYS 38 HB2 CYS 38 8.870 18.327 -41.639 281 HB3 CYS 38 HB3 CYS 38 8.721 19.757 -42.656 282 H CYS 39 H CYS 39 7.135 22.316 -40.889 283 HA CYS 39 HA CYS 39 4.766 22.342 -42.491 284 HB2 CYS 39 HB2 CYS 39 5.997 24.108 -40.726 285 HB3 CYS 39 HB3 CYS 39 6.129 24.905 -42.291 286 H LEU 40 H LEU 40 5.073 24.497 -44.164 287 HA LEU 40 HA LEU 40 5.992 23.392 -46.514 288 HB2 LEU 40 HB2 LEU 40 4.541 25.312 -46.492 289 HB3 LEU 40 HB3 LEU 40 5.791 26.294 -45.730 290 HG LEU 40 HG LEU 40 7.011 25.477 -48.048 291 HD11 LEU 40 HD11 LEU 40 5.174 24.529 -49.118 292 HD12 LEU 40 HD12 LEU 40 5.236 26.166 -49.768 293 HD13 LEU 40 HD13 LEU 40 4.065 25.760 -48.514 294 HD21 LEU 40 HD21 LEU 40 7.330 27.671 -47.531 295 HD22 LEU 40 HD22 LEU 40 5.638 27.935 -47.108 296 HD23 LEU 40 HD23 LEU 40 6.122 27.857 -48.803 297 H ARG 41 H ARG 41 7.642 26.204 -45.099 298 HA ARG 41 HA ARG 41 10.211 24.862 -45.264 299 HB2 ARG 41 HB2 ARG 41 10.159 25.650 -47.490 300 HB3 ARG 41 HB3 ARG 41 9.444 27.185 -47.016 301 HG2 ARG 41 HG2 ARG 41 12.052 26.664 -45.803 302 HG3 ARG 41 HG3 ARG 41 12.077 26.778 -47.564 303 HD2 ARG 41 HD2 ARG 41 10.498 28.884 -46.949 304 HD3 ARG 41 HD3 ARG 41 11.547 28.844 -45.533 305 HE ARG 41 HE ARG 41 13.128 28.642 -47.841 306 HH11 ARG 41 HH11 ARG 41 11.120 30.941 -46.166 307 HH12 ARG 41 HH12 ARG 41 11.992 32.321 -46.745 308 HH21 ARG 41 HH21 ARG 41 14.284 30.451 -48.610 309 HH22 ARG 41 HH22 ARG 41 13.791 32.042 -48.136 310 H LEU 42 H LEU 42 11.143 25.303 -43.387 311 HA LEU 42 HA LEU 42 11.404 28.030 -42.479 312 HB2 LEU 42 HB2 LEU 42 10.507 27.539 -40.223 313 HB3 LEU 42 HB3 LEU 42 9.286 27.539 -41.494 314 HG LEU 42 HG LEU 42 10.500 24.958 -40.594 315 HD11 LEU 42 HD11 LEU 42 8.658 26.701 -39.065 316 HD12 LEU 42 HD12 LEU 42 9.845 25.526 -38.498 317 HD13 LEU 42 HD13 LEU 42 8.289 24.977 -39.119 318 HD21 LEU 42 HD21 LEU 42 8.085 24.272 -41.125 319 HD22 LEU 42 HD22 LEU 42 9.146 24.683 -42.473 320 HD23 LEU 42 HD23 LEU 42 7.953 25.850 -41.901 321 H LYS 43 H LYS 43 12.398 27.754 -40.021 322 HA LYS 43 HA LYS 43 14.558 25.767 -40.282 323 HB2 LYS 43 HB2 LYS 43 14.851 28.524 -39.084 324 HB3 LYS 43 HB3 LYS 43 16.130 27.355 -39.384 325 HG2 LYS 43 HG2 LYS 43 15.949 27.633 -41.735 326 HG3 LYS 43 HG3 LYS 43 14.463 28.572 -41.571 327 HD2 LYS 43 HD2 LYS 43 15.579 30.472 -41.148 328 HD3 LYS 43 HD3 LYS 43 16.723 29.668 -40.072 329 HE2 LYS 43 HE2 LYS 43 17.067 28.937 -42.873 330 HE3 LYS 43 HE3 LYS 43 17.281 30.662 -42.577 331 HZ1 LYS 43 HZ1 LYS 43 18.693 29.642 -40.572 332 HZ2 LYS 43 HZ2 LYS 43 19.361 30.009 -42.081 333 HZ3 LYS 43 HZ3 LYS 43 18.913 28.419 -41.720 334 H THR 44 H THR 44 11.950 26.720 -38.505 335 HA THR 44 HA THR 44 12.358 24.909 -36.426 336 HB THR 44 HB THR 44 13.999 26.200 -35.389 337 HG1 THR 44 HG1 THR 44 12.373 25.762 -33.881 338 HG21 THR 44 HG21 THR 44 13.188 28.786 -35.018 339 HG22 THR 44 HG22 THR 44 12.578 28.438 -36.636 340 HG23 THR 44 HG23 THR 44 14.293 28.243 -36.279 341 H LYS 45 H LYS 45 10.877 27.945 -37.415 342 HA LYS 45 HA LYS 45 8.253 26.985 -37.062 343 HB2 LYS 45 HB2 LYS 45 7.493 28.122 -35.138 344 HB3 LYS 45 HB3 LYS 45 8.996 27.349 -34.652 345 HG2 LYS 45 HG2 LYS 45 8.810 30.222 -35.519 346 HG3 LYS 45 HG3 LYS 45 8.692 29.692 -33.840 347 HD2 LYS 45 HD2 LYS 45 10.969 28.427 -34.781 348 HD3 LYS 45 HD3 LYS 45 11.034 30.026 -35.526 349 HE2 LYS 45 HE2 LYS 45 11.912 30.720 -33.593 350 HE3 LYS 45 HE3 LYS 45 10.281 30.577 -32.939 351 HZ1 LYS 45 HZ1 LYS 45 10.963 28.966 -31.607 352 HZ2 LYS 45 HZ2 LYS 45 12.547 29.181 -32.156 353 HZ3 LYS 45 HZ3 LYS 45 11.537 28.054 -32.911 354 H GLN 46 H GLN 46 10.436 29.709 -37.337 355 HA GLN 46 HA GLN 46 8.510 31.583 -38.264 356 HB2 GLN 46 HB2 GLN 46 10.366 32.994 -38.796 357 HB3 GLN 46 HB3 GLN 46 10.748 32.165 -37.293 358 HG2 GLN 46 HG2 GLN 46 12.143 30.579 -38.523 359 HG3 GLN 46 HG3 GLN 46 11.767 31.421 -40.025 360 HE21 GLN 46 HE21 GLN 46 12.186 33.878 -39.834 361 HE22 GLN 46 HE22 GLN 46 13.713 34.311 -39.152 362 H ALA 47 H ALA 47 9.740 32.625 -40.566 363 HA ALA 47 HA ALA 47 9.834 32.416 -42.837 364 HB1 ALA 47 HB1 ALA 47 11.228 30.366 -42.216 365 HB2 ALA 47 HB2 ALA 47 9.772 29.429 -42.556 366 HB3 ALA 47 HB3 ALA 47 10.509 30.406 -43.826 367 H ARG 48 H ARG 48 8.612 30.704 -44.600 368 HA ARG 48 HA ARG 48 5.815 31.331 -44.118 369 HB2 ARG 48 HB2 ARG 48 7.110 30.146 -46.578 370 HB3 ARG 48 HB3 ARG 48 5.481 30.798 -46.465 371 HG2 ARG 48 HG2 ARG 48 7.801 32.549 -45.805 372 HG3 ARG 48 HG3 ARG 48 7.412 32.216 -47.494 373 HD2 ARG 48 HD2 ARG 48 5.029 32.907 -46.901 374 HD3 ARG 48 HD3 ARG 48 5.711 33.551 -45.408 375 HE ARG 48 HE ARG 48 7.243 34.657 -47.366 376 HH11 ARG 48 HH11 ARG 48 3.824 34.532 -46.722 377 HH12 ARG 48 HH12 ARG 48 3.496 36.063 -47.464 378 HH21 ARG 48 HH21 ARG 48 6.824 36.674 -48.346 379 HH22 ARG 48 HH22 ARG 48 5.203 37.280 -48.388 380 H CYS 49 H CYS 49 4.140 29.833 -44.130 381 HA CYS 49 HA CYS 49 4.964 27.020 -43.821 382 HB2 CYS 49 HB2 CYS 49 3.924 28.558 -41.835 383 HB3 CYS 49 HB3 CYS 49 2.456 27.864 -42.514 384 H TRP 50 H TRP 50 2.822 25.599 -43.948 385 HA TRP 50 HA TRP 50 1.723 26.161 -46.591 386 HB2 TRP 50 HB2 TRP 50 2.679 23.859 -45.531 387 HB3 TRP 50 HB3 TRP 50 0.961 23.669 -45.190 388 HD1 TRP 50 HD1 TRP 50 -0.552 24.420 -47.633 389 HE1 TRP 50 HE1 TRP 50 -0.174 23.354 -49.945 390 HE3 TRP 50 HE3 TRP 50 4.192 22.645 -46.942 391 HZ2 TRP 50 HZ2 TRP 50 1.865 21.946 -51.297 392 HZ3 TRP 50 HZ3 TRP 50 5.285 21.449 -48.794 393 HH2 TRP 50 HH2 TRP 50 4.144 21.107 -50.925 394 H LYS 51 H LYS 51 -0.211 27.046 -46.838 395 HA LYS 51 HA LYS 51 -1.990 27.326 -44.572 396 HB2 LYS 51 HB2 LYS 51 -1.618 28.621 -47.162 397 HB3 LYS 51 HB3 LYS 51 -3.313 28.351 -46.778 398 HG2 LYS 51 HG2 LYS 51 -3.298 30.119 -45.453 399 HG3 LYS 51 HG3 LYS 51 -2.048 29.373 -44.456 400 HD2 LYS 51 HD2 LYS 51 -0.454 30.213 -46.356 401 HD3 LYS 51 HD3 LYS 51 -1.778 31.330 -46.697 402 HE2 LYS 51 HE2 LYS 51 -1.713 31.967 -44.260 403 HE3 LYS 51 HE3 LYS 51 -0.225 31.030 -44.133 404 HZ1 LYS 51 HZ1 LYS 51 -0.409 33.063 -46.234 405 HZ2 LYS 51 HZ2 LYS 51 0.939 32.537 -45.359 406 HZ3 LYS 51 HZ3 LYS 51 -0.179 33.584 -44.641 407 H GLU 52 H GLU 52 -2.947 25.395 -44.114 408 HA GLU 52 HA GLU 52 -3.878 23.545 -46.020 409 HB2 GLU 52 HB2 GLU 52 -4.997 23.872 -43.239 410 HB3 GLU 52 HB3 GLU 52 -4.916 22.406 -44.205 411 HG2 GLU 52 HG2 GLU 52 -3.020 21.898 -43.197 412 HG3 GLU 52 HG3 GLU 52 -2.276 23.305 -43.955 413 H LYS 53 H LYS 53 -5.117 26.544 -45.042 414 HA LYS 53 HA LYS 53 -7.896 26.006 -45.468 415 HB2 LYS 53 HB2 LYS 53 -8.161 28.446 -45.361 416 HB3 LYS 53 HB3 LYS 53 -7.186 27.843 -44.027 417 HG2 LYS 53 HG2 LYS 53 -5.161 28.461 -45.433 418 HG3 LYS 53 HG3 LYS 53 -6.287 29.351 -46.460 419 HD2 LYS 53 HD2 LYS 53 -6.784 29.992 -43.713 420 HD3 LYS 53 HD3 LYS 53 -5.069 30.211 -44.068 421 HE2 LYS 53 HE2 LYS 53 -5.463 31.862 -45.614 422 HE3 LYS 53 HE3 LYS 53 -7.078 31.269 -45.996 423 HZ1 LYS 53 HZ1 LYS 53 -8.000 32.464 -44.351 424 HZ2 LYS 53 HZ2 LYS 53 -6.607 33.414 -44.492 425 HZ3 LYS 53 HZ3 LYS 53 -6.706 32.232 -43.286 426 H GLU 54 H GLU 54 -5.259 27.303 -47.420 427 HA GLU 54 HA GLU 54 -7.058 27.618 -49.703 428 HB2 GLU 54 HB2 GLU 54 -4.245 28.504 -49.131 429 HB3 GLU 54 HB3 GLU 54 -4.870 28.500 -50.774 430 HG2 GLU 54 HG2 GLU 54 -6.705 29.784 -48.951 431 HG3 GLU 54 HG3 GLU 54 -5.108 30.527 -48.897 432 H PHE 55 H PHE 55 -4.177 25.828 -48.708 433 HA PHE 55 HA PHE 55 -4.445 24.152 -51.112 434 HB2 PHE 55 HB2 PHE 55 -2.043 24.220 -49.295 435 HB3 PHE 55 HB3 PHE 55 -2.142 23.629 -50.950 436 HD1 PHE 55 HD2 PHE 55 -2.653 25.362 -52.777 437 HD2 PHE 55 HD1 PHE 55 -1.319 26.376 -48.865 438 HE1 PHE 55 HE2 PHE 55 -1.903 27.554 -53.605 439 HE2 PHE 55 HE1 PHE 55 -0.567 28.571 -49.687 440 HZ PHE 55 HZ PHE 55 -0.858 29.161 -52.060 441 HA PRO 56 HA PRO 56 -6.070 21.167 -48.187 442 HB2 PRO 56 HB2 PRO 56 -6.766 19.343 -50.074 443 HB3 PRO 56 HB3 PRO 56 -7.738 20.776 -49.718 444 HG2 PRO 56 HG2 PRO 56 -5.777 20.319 -51.933 445 HG3 PRO 56 HG3 PRO 56 -7.374 21.087 -51.994 446 HD2 PRO 56 HD2 PRO 56 -5.073 22.513 -51.927 447 HD3 PRO 56 HD3 PRO 56 -6.578 23.094 -51.187 448 H ASN 57 H ASN 57 -3.519 20.819 -50.502 449 HA ASN 57 HA ASN 57 -2.743 18.180 -50.130 450 HB2 ASN 57 HB2 ASN 57 -1.790 20.197 -51.622 451 HB3 ASN 57 HB3 ASN 57 -0.585 20.211 -50.338 452 HD21 ASN 57 HD21 ASN 57 -0.289 17.606 -49.725 453 HD22 ASN 57 HD22 ASN 57 0.315 16.729 -51.085 454 H ALA 58 H ALA 58 -1.889 21.057 -48.245 455 HA ALA 58 HA ALA 58 -0.060 19.856 -46.503 456 HB1 ALA 58 HB1 ALA 58 0.109 21.971 -45.862 457 HB2 ALA 58 HB2 ALA 58 -1.363 22.377 -46.745 458 HB3 ALA 58 HB3 ALA 58 -1.460 21.846 -45.066 459 H LYS 59 H LYS 59 -3.578 20.181 -46.295 460 HA LYS 59 HA LYS 59 -3.874 19.126 -43.701 461 HB2 LYS 59 HB2 LYS 59 -5.606 20.391 -45.047 462 HB3 LYS 59 HB3 LYS 59 -5.887 18.902 -45.940 463 HG2 LYS 59 HG2 LYS 59 -6.037 18.233 -43.214 464 HG3 LYS 59 HG3 LYS 59 -6.951 19.729 -43.420 465 HD2 LYS 59 HD2 LYS 59 -8.559 18.137 -43.869 466 HD3 LYS 59 HD3 LYS 59 -7.957 18.495 -45.489 467 HE2 LYS 59 HE2 LYS 59 -6.511 16.539 -45.400 468 HE3 LYS 59 HE3 LYS 59 -7.050 16.197 -43.756 469 HZ1 LYS 59 HZ1 LYS 59 -8.466 15.829 -46.291 470 HZ2 LYS 59 HZ2 LYS 59 -9.382 16.217 -44.924 471 HZ3 LYS 59 HZ3 LYS 59 -8.417 14.828 -44.928 472 H GLU 60 H GLU 60 -3.987 17.589 -46.897 473 HA GLU 60 HA GLU 60 -4.639 15.003 -46.015 474 HB2 GLU 60 HB2 GLU 60 -3.813 16.262 -48.486 475 HB3 GLU 60 HB3 GLU 60 -3.042 14.694 -48.294 476 HG2 GLU 60 HG2 GLU 60 -5.797 14.464 -47.598 477 HG3 GLU 60 HG3 GLU 60 -5.657 15.259 -49.165 478 H LEU 61 H LEU 61 -1.519 16.589 -46.526 479 HA LEU 61 HA LEU 61 0.076 14.313 -45.998 480 HB2 LEU 61 HB2 LEU 61 0.755 17.233 -45.686 481 HB3 LEU 61 HB3 LEU 61 1.913 15.906 -45.729 482 HG LEU 61 HG LEU 61 0.095 16.306 -48.059 483 HD11 LEU 61 HD11 LEU 61 0.793 18.411 -48.318 484 HD12 LEU 61 HD12 LEU 61 2.344 17.699 -48.762 485 HD13 LEU 61 HD13 LEU 61 2.064 18.238 -47.106 486 HD21 LEU 61 HD21 LEU 61 1.482 14.367 -48.104 487 HD22 LEU 61 HD22 LEU 61 2.907 15.304 -47.655 488 HD23 LEU 61 HD23 LEU 61 2.164 15.533 -49.238 489 H CYS 62 H CYS 62 -1.201 16.891 -43.956 490 HA CYS 62 HA CYS 62 0.215 16.197 -41.610 491 HB2 CYS 62 HB2 CYS 62 -1.820 18.084 -42.379 492 HB3 CYS 62 HB3 CYS 62 -2.251 17.334 -40.846 493 H PHE 63 H PHE 63 -2.939 15.237 -42.882 494 HA PHE 63 HA PHE 63 -3.661 13.693 -40.591 495 HB2 PHE 63 HB2 PHE 63 -4.832 14.366 -43.176 496 HB3 PHE 63 HB3 PHE 63 -5.154 12.701 -42.705 497 HD1 PHE 63 HD1 PHE 63 -5.684 16.223 -41.866 498 HD2 PHE 63 HD2 PHE 63 -6.540 12.190 -40.806 499 HE1 PHE 63 HE1 PHE 63 -7.487 16.999 -40.381 500 HE2 PHE 63 HE2 PHE 63 -8.345 12.960 -39.321 501 HZ PHE 63 HZ PHE 63 -8.820 15.367 -39.108 502 H ALA 64 H ALA 64 -2.188 12.982 -43.715 503 HA ALA 64 HA ALA 64 -2.164 10.141 -43.298 504 HB1 ALA 64 HB1 ALA 64 -0.697 11.832 -45.319 505 HB2 ALA 64 HB2 ALA 64 -0.810 10.072 -45.342 506 HB3 ALA 64 HB3 ALA 64 -2.262 11.052 -45.550 507 H ASN 65 H ASN 65 -0.177 12.765 -42.354 508 HA ASN 65 HA ASN 65 2.365 11.720 -42.260 509 HB2 ASN 65 HB2 ASN 65 2.788 13.624 -41.160 510 HB3 ASN 65 HB3 ASN 65 1.056 13.945 -41.174 511 HD21 ASN 65 HD21 ASN 65 -0.193 13.304 -39.355 512 HD22 ASN 65 HD22 ASN 65 0.544 13.138 -37.801 513 H CYS 66 H CYS 66 3.396 10.186 -41.131 514 HA CYS 66 HA CYS 66 2.570 9.279 -38.564 515 HB2 CYS 66 HB2 CYS 66 1.498 7.919 -40.917 516 HB3 CYS 66 HB3 CYS 66 2.371 6.833 -39.841 517 HA PRO 67 HA PRO 67 6.765 7.985 -38.471 518 HB2 PRO 67 HB2 PRO 67 6.660 6.049 -36.570 519 HB3 PRO 67 HB3 PRO 67 6.517 7.771 -36.197 520 HG2 PRO 67 HG2 PRO 67 4.365 5.711 -36.493 521 HG3 PRO 67 HG3 PRO 67 4.530 6.989 -35.275 522 HD2 PRO 67 HD2 PRO 67 2.881 7.216 -37.410 523 HD3 PRO 67 HD3 PRO 67 3.701 8.613 -36.684 524 HA PRO 68 HA PRO 68 7.505 4.385 -40.884 525 HB2 PRO 68 HB2 PRO 68 9.749 3.337 -39.773 526 HB3 PRO 68 HB3 PRO 68 9.753 4.828 -40.723 527 HG2 PRO 68 HG2 PRO 68 9.743 4.475 -37.750 528 HG3 PRO 68 HG3 PRO 68 10.683 5.608 -38.739 529 HD2 PRO 68 HD2 PRO 68 8.442 6.346 -37.410 530 HD3 PRO 68 HD3 PRO 68 8.920 7.077 -38.956 531 H LEU 69 H LEU 69 8.249 1.937 -40.576 532 HA LEU 69 HA LEU 69 6.828 0.794 -38.272 533 HB2 LEU 69 HB2 LEU 69 6.019 -0.999 -39.885 534 HB3 LEU 69 HB3 LEU 69 5.223 0.572 -39.948 535 HG LEU 69 HG LEU 69 7.464 0.118 -41.836 536 HD11 LEU 69 HD11 LEU 69 4.802 -1.269 -42.029 537 HD12 LEU 69 HD12 LEU 69 6.411 -1.985 -42.106 538 HD13 LEU 69 HD13 LEU 69 5.837 -0.964 -43.424 539 HD21 LEU 69 HD21 LEU 69 6.025 2.212 -41.587 540 HD22 LEU 69 HD22 LEU 69 4.737 1.272 -42.343 541 HD23 LEU 69 HD23 LEU 69 6.243 1.568 -43.214 542 H GLU 70 H GLU 70 9.660 1.158 -38.762 543 HA GLU 70 HA GLU 70 10.496 -1.665 -38.907 544 HB2 GLU 70 HB2 GLU 70 11.894 0.833 -39.840 545 HB3 GLU 70 HB3 GLU 70 12.774 -0.658 -39.535 546 HG2 GLU 70 HG2 GLU 70 10.583 -1.347 -41.152 547 HG3 GLU 70 HG3 GLU 70 11.277 0.121 -41.839 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.882 -12.141 -1.977 2 HA2 GLY 1 HA2 GLY 1 -4.483 -10.354 -1.556 3 HA3 GLY 1 HA3 GLY 1 -3.131 -11.476 -1.537 4 HA PRO 2 HA PRO 2 -3.871 -10.170 -6.153 5 HB2 PRO 2 HB2 PRO 2 -5.431 -7.977 -6.513 6 HB3 PRO 2 HB3 PRO 2 -6.075 -9.623 -6.506 7 HG2 PRO 2 HG2 PRO 2 -6.058 -7.588 -4.311 8 HG3 PRO 2 HG3 PRO 2 -7.362 -8.678 -4.815 9 HD2 PRO 2 HD2 PRO 2 -5.790 -9.182 -2.669 10 HD3 PRO 2 HD3 PRO 2 -6.470 -10.474 -3.678 11 H GLU 3 H GLU 3 -3.338 -8.029 -7.416 12 HA GLU 3 HA GLU 3 -1.037 -6.912 -6.173 13 HB2 GLU 3 HB2 GLU 3 -1.205 -7.288 -8.608 14 HB3 GLU 3 HB3 GLU 3 -2.452 -6.053 -8.703 15 HG2 GLU 3 HG2 GLU 3 -0.890 -4.523 -8.998 16 HG3 GLU 3 HG3 GLU 3 -0.247 -4.885 -7.398 17 H LYS 4 H LYS 4 -1.728 -5.855 -4.304 18 HA LYS 4 HA LYS 4 -3.749 -3.848 -4.316 19 HB2 LYS 4 HB2 LYS 4 -1.669 -4.752 -2.362 20 HB3 LYS 4 HB3 LYS 4 -2.523 -3.242 -2.076 21 HG2 LYS 4 HG2 LYS 4 -4.377 -5.335 -2.747 22 HG3 LYS 4 HG3 LYS 4 -3.349 -5.817 -1.396 23 HD2 LYS 4 HD2 LYS 4 -4.485 -3.077 -1.341 24 HD3 LYS 4 HD3 LYS 4 -5.593 -4.422 -1.059 25 HE2 LYS 4 HE2 LYS 4 -4.010 -5.249 0.690 26 HE3 LYS 4 HE3 LYS 4 -3.085 -3.763 0.478 27 HZ1 LYS 4 HZ1 LYS 4 -5.962 -3.582 1.039 28 HZ2 LYS 4 HZ2 LYS 4 -4.721 -2.501 1.430 29 HZ3 LYS 4 HZ3 LYS 4 -4.903 -3.932 2.312 30 H MET 5 H MET 5 -3.147 -2.468 -6.046 31 HA MET 5 HA MET 5 -1.224 -0.432 -5.238 32 HB2 MET 5 HB2 MET 5 -0.403 -2.336 -7.005 33 HB3 MET 5 HB3 MET 5 -1.047 -1.119 -8.098 34 HG2 MET 5 HG2 MET 5 0.411 0.560 -7.090 35 HG3 MET 5 HG3 MET 5 1.056 -0.661 -5.996 36 HE1 MET 5 HE1 MET 5 4.000 0.104 -8.001 37 HE2 MET 5 HE2 MET 5 3.147 0.038 -6.459 38 HE3 MET 5 HE3 MET 5 3.924 -1.411 -7.100 39 H GLU 6 H GLU 6 -1.327 1.470 -6.830 40 HA GLU 6 HA GLU 6 -4.070 1.785 -7.850 41 HB2 GLU 6 HB2 GLU 6 -3.636 2.938 -5.625 42 HB3 GLU 6 HB3 GLU 6 -2.528 3.991 -6.492 43 HG2 GLU 6 HG2 GLU 6 -4.247 5.307 -6.932 44 HG3 GLU 6 HG3 GLU 6 -4.870 4.041 -7.988 45 H VAL 7 H VAL 7 -1.753 1.058 -9.337 46 HA VAL 7 HA VAL 7 -1.494 3.437 -11.056 47 HB VAL 7 HB VAL 7 0.676 1.379 -10.642 48 HG11 VAL 7 HG11 VAL 7 2.074 3.030 -11.823 49 HG12 VAL 7 HG12 VAL 7 0.745 2.435 -12.821 50 HG13 VAL 7 HG13 VAL 7 0.645 4.032 -12.078 51 HG21 VAL 7 HG21 VAL 7 0.520 4.182 -9.538 52 HG22 VAL 7 HG22 VAL 7 0.288 2.706 -8.600 53 HG23 VAL 7 HG23 VAL 7 1.855 3.047 -9.336 54 H LYS 8 H LYS 8 -2.604 3.044 -12.851 55 HA LYS 8 HA LYS 8 -1.935 0.959 -14.620 56 HB2 LYS 8 HB2 LYS 8 -4.195 -0.195 -14.580 57 HB3 LYS 8 HB3 LYS 8 -3.117 -0.558 -13.238 58 HG2 LYS 8 HG2 LYS 8 -4.405 0.569 -11.715 59 HG3 LYS 8 HG3 LYS 8 -5.101 1.641 -12.933 60 HD2 LYS 8 HD2 LYS 8 -5.772 -1.134 -13.430 61 HD3 LYS 8 HD3 LYS 8 -6.289 -0.613 -11.825 62 HE2 LYS 8 HE2 LYS 8 -6.837 1.296 -13.990 63 HE3 LYS 8 HE3 LYS 8 -7.709 -0.231 -14.110 64 HZ1 LYS 8 HZ1 LYS 8 -8.755 0.121 -12.078 65 HZ2 LYS 8 HZ2 LYS 8 -8.787 1.649 -12.803 66 HZ3 LYS 8 HZ3 LYS 8 -7.656 1.311 -11.591 67 H GLU 9 H GLU 9 -2.691 1.367 -16.655 68 HA GLU 9 HA GLU 9 -4.738 3.460 -16.942 69 HB2 GLU 9 HB2 GLU 9 -2.306 3.302 -18.714 70 HB3 GLU 9 HB3 GLU 9 -3.482 4.604 -18.600 71 HG2 GLU 9 HG2 GLU 9 -2.582 4.587 -16.074 72 HG3 GLU 9 HG3 GLU 9 -1.145 4.005 -16.912 73 H ILE 10 H ILE 10 -4.895 3.604 -19.653 74 HA ILE 10 HA ILE 10 -5.678 0.865 -20.410 75 HB ILE 10 HB ILE 10 -6.916 3.378 -21.514 76 HG12 ILE 10 HG12 ILE 10 -7.342 3.414 -19.136 77 HG13 ILE 10 HG13 ILE 10 -8.815 2.916 -19.960 78 HG21 ILE 10 HG21 ILE 10 -8.744 1.307 -21.572 79 HG22 ILE 10 HG22 ILE 10 -7.786 1.894 -22.930 80 HG23 ILE 10 HG23 ILE 10 -7.213 0.529 -21.971 81 HD11 ILE 10 HD11 ILE 10 -6.955 1.301 -18.278 82 HD12 ILE 10 HD12 ILE 10 -8.708 1.465 -18.175 83 HD13 ILE 10 HD13 ILE 10 -7.986 0.519 -19.476 84 H GLY 11 H GLY 11 -3.150 1.303 -20.965 85 HA2 GLY 11 HA2 GLY 11 -2.789 2.561 -23.546 86 HA3 GLY 11 HA3 GLY 11 -1.557 1.735 -22.603 87 H ARG 12 H ARG 12 -3.641 1.540 -25.258 88 HA ARG 12 HA ARG 12 -2.620 -1.077 -25.933 89 HB2 ARG 12 HB2 ARG 12 -4.827 -2.082 -26.311 90 HB3 ARG 12 HB3 ARG 12 -4.589 -1.672 -24.618 91 HG2 ARG 12 HG2 ARG 12 -6.404 -0.405 -24.614 92 HG3 ARG 12 HG3 ARG 12 -5.814 0.526 -25.993 93 HD2 ARG 12 HD2 ARG 12 -7.830 -0.389 -26.740 94 HD3 ARG 12 HD3 ARG 12 -6.596 -1.448 -27.421 95 HE ARG 12 HE ARG 12 -7.459 -3.160 -26.185 96 HH11 ARG 12 HH11 ARG 12 -8.510 -0.144 -24.801 97 HH12 ARG 12 HH12 ARG 12 -9.561 -0.891 -23.643 98 HH21 ARG 12 HH21 ARG 12 -8.838 -4.156 -24.667 99 HH22 ARG 12 HH22 ARG 12 -9.746 -3.174 -23.567 100 H SER 13 H SER 13 -2.071 1.308 -27.132 101 HA SER 13 HA SER 13 -3.572 1.132 -29.663 102 HB2 SER 13 HB2 SER 13 -3.512 3.329 -28.042 103 HB3 SER 13 HB3 SER 13 -2.164 3.666 -29.127 104 HG SER 13 HG SER 13 -3.887 2.954 -30.787 105 H SER 14 H SER 14 -2.010 2.652 -31.277 106 HA SER 14 HA SER 14 0.658 1.419 -31.153 107 HB2 SER 14 HB2 SER 14 -1.085 1.633 -33.620 108 HB3 SER 14 HB3 SER 14 0.571 1.028 -33.585 109 HG SER 14 HG SER 14 -1.322 -0.519 -33.447 110 H LYS 15 H LYS 15 -0.253 4.089 -30.432 111 HA LYS 15 HA LYS 15 0.394 5.948 -32.470 112 HB2 LYS 15 HB2 LYS 15 0.223 7.615 -30.809 113 HB3 LYS 15 HB3 LYS 15 -0.932 6.376 -30.336 114 HG2 LYS 15 HG2 LYS 15 1.843 6.402 -29.215 115 HG3 LYS 15 HG3 LYS 15 0.569 7.415 -28.533 116 HD2 LYS 15 HD2 LYS 15 0.018 5.642 -27.291 117 HD3 LYS 15 HD3 LYS 15 -0.636 4.943 -28.774 118 HE2 LYS 15 HE2 LYS 15 0.876 3.389 -27.647 119 HE3 LYS 15 HE3 LYS 15 1.504 3.867 -29.223 120 HZ1 LYS 15 HZ1 LYS 15 2.435 5.623 -27.204 121 HZ2 LYS 15 HZ2 LYS 15 3.324 4.663 -28.274 122 HZ3 LYS 15 HZ3 LYS 15 2.805 4.023 -26.797 123 H ILE 16 H ILE 16 2.267 7.102 -32.864 124 HA ILE 16 HA ILE 16 4.620 6.885 -31.295 125 HB ILE 16 HB ILE 16 5.777 5.769 -33.491 126 HG12 ILE 16 HG12 ILE 16 3.287 4.132 -33.016 127 HG13 ILE 16 HG13 ILE 16 3.417 5.294 -34.332 128 HG21 ILE 16 HG21 ILE 16 6.612 4.694 -31.733 129 HG22 ILE 16 HG22 ILE 16 5.164 5.005 -30.777 130 HG23 ILE 16 HG23 ILE 16 5.234 3.599 -31.838 131 HD11 ILE 16 HD11 ILE 16 4.044 3.418 -35.432 132 HD12 ILE 16 HD12 ILE 16 5.623 3.914 -34.822 133 HD13 ILE 16 HD13 ILE 16 4.710 2.657 -33.988 134 H ILE 17 H ILE 17 6.593 7.669 -32.671 135 HA ILE 17 HA ILE 17 5.631 9.867 -34.383 136 HB ILE 17 HB ILE 17 7.610 11.132 -33.717 137 HG12 ILE 17 HG12 ILE 17 8.846 8.851 -33.195 138 HG13 ILE 17 HG13 ILE 17 9.297 10.337 -32.366 139 HG21 ILE 17 HG21 ILE 17 5.660 11.528 -32.417 140 HG22 ILE 17 HG22 ILE 17 5.922 10.068 -31.465 141 HG23 ILE 17 HG23 ILE 17 7.019 11.438 -31.296 142 HD11 ILE 17 HD11 ILE 17 8.413 9.656 -30.378 143 HD12 ILE 17 HD12 ILE 17 7.222 8.602 -31.141 144 HD13 ILE 17 HD13 ILE 17 8.912 8.105 -31.053 145 H LEU 18 H LEU 18 7.240 10.633 -36.007 146 HA LEU 18 HA LEU 18 8.853 8.405 -37.059 147 HB2 LEU 18 HB2 LEU 18 6.662 8.918 -38.270 148 HB3 LEU 18 HB3 LEU 18 7.441 10.410 -38.793 149 HG LEU 18 HG LEU 18 8.466 7.638 -39.399 150 HD11 LEU 18 HD11 LEU 18 6.928 7.531 -40.991 151 HD12 LEU 18 HD12 LEU 18 7.654 8.955 -41.737 152 HD13 LEU 18 HD13 LEU 18 6.332 9.141 -40.585 153 HD21 LEU 18 HD21 LEU 18 9.461 10.375 -39.866 154 HD22 LEU 18 HD22 LEU 18 9.568 9.265 -41.233 155 HD23 LEU 18 HD23 LEU 18 10.343 8.856 -39.701 156 HA PRO 19 HA PRO 19 11.908 11.681 -36.580 157 HB2 PRO 19 HB2 PRO 19 14.044 10.036 -36.898 158 HB3 PRO 19 HB3 PRO 19 13.161 10.180 -35.374 159 HG2 PRO 19 HG2 PRO 19 12.939 8.086 -37.502 160 HG3 PRO 19 HG3 PRO 19 12.969 7.891 -35.740 161 HD2 PRO 19 HD2 PRO 19 10.674 7.819 -37.175 162 HD3 PRO 19 HD3 PRO 19 10.743 8.445 -35.515 163 H ALA 20 H ALA 20 11.560 12.828 -38.478 164 HA ALA 20 HA ALA 20 13.047 11.849 -40.826 165 HB1 ALA 20 HB1 ALA 20 10.400 13.285 -40.776 166 HB2 ALA 20 HB2 ALA 20 11.373 13.068 -42.231 167 HB3 ALA 20 HB3 ALA 20 10.735 11.662 -41.380 168 H CYS 21 H CYS 21 11.376 14.912 -40.197 169 HA CYS 21 HA CYS 21 13.983 16.280 -40.318 170 HB2 CYS 21 HB2 CYS 21 12.730 18.164 -41.467 171 HB3 CYS 21 HB3 CYS 21 12.972 16.707 -42.425 172 H MET 22 H MET 22 10.624 16.428 -39.215 173 HA MET 22 HA MET 22 11.519 18.152 -37.002 174 HB2 MET 22 HB2 MET 22 9.702 18.854 -39.013 175 HB3 MET 22 HB3 MET 22 8.710 18.491 -37.608 176 HG2 MET 22 HG2 MET 22 9.212 20.822 -37.607 177 HG3 MET 22 HG3 MET 22 10.090 20.058 -36.284 178 HE1 MET 22 HE1 MET 22 13.261 21.620 -36.529 179 HE2 MET 22 HE2 MET 22 11.949 20.841 -35.645 180 HE3 MET 22 HE3 MET 22 13.141 19.860 -36.499 181 H HIS 23 H HIS 23 9.192 18.207 -35.540 182 HA HIS 23 HA HIS 23 9.134 15.486 -34.511 183 HB2 HIS 23 HB2 HIS 23 8.321 18.167 -33.455 184 HB3 HIS 23 HB3 HIS 23 7.641 16.713 -32.730 185 HD1 HIS 23 HD1 HIS 23 9.224 18.198 -30.808 186 HD2 HIS 23 HD2 HIS 23 11.049 15.608 -33.495 187 HE1 HIS 23 HE1 HIS 23 11.447 17.622 -29.782 188 H GLU 24 H GLU 24 7.732 14.155 -35.466 189 HA GLU 24 HA GLU 24 4.996 15.141 -35.937 190 HB2 GLU 24 HB2 GLU 24 4.878 13.450 -37.787 191 HB3 GLU 24 HB3 GLU 24 5.984 14.785 -38.081 192 HG2 GLU 24 HG2 GLU 24 7.793 13.203 -37.160 193 HG3 GLU 24 HG3 GLU 24 6.607 11.931 -37.447 194 H THR 25 H THR 25 3.346 13.380 -35.947 195 HA THR 25 HA THR 25 4.003 10.973 -34.481 196 HB THR 25 HB THR 25 1.912 12.756 -33.258 197 HG1 THR 25 HG1 THR 25 3.779 13.040 -31.652 198 HG21 THR 25 HG21 THR 25 3.452 10.326 -32.371 199 HG22 THR 25 HG22 THR 25 1.707 10.511 -32.547 200 HG23 THR 25 HG23 THR 25 2.556 11.342 -31.244 201 H CYS 26 H CYS 26 2.102 9.544 -34.227 202 HA CYS 26 HA CYS 26 -0.247 10.148 -35.794 203 HB2 CYS 26 HB2 CYS 26 1.565 9.350 -37.419 204 HB3 CYS 26 HB3 CYS 26 1.402 7.775 -36.650 205 H SER 27 H SER 27 -1.981 8.831 -35.309 206 HA SER 27 HA SER 27 -1.736 6.360 -33.920 207 HB2 SER 27 HB2 SER 27 -2.427 6.956 -31.738 208 HB3 SER 27 HB3 SER 27 -1.171 8.125 -32.145 209 HG SER 27 HG SER 27 -2.617 9.583 -31.750 210 H GLY 28 H GLY 28 -3.413 5.238 -34.639 211 HA2 GLY 28 HA2 GLY 28 -6.017 6.600 -34.875 212 HA3 GLY 28 HA3 GLY 28 -5.403 5.621 -36.199 213 H GLY 29 H GLY 29 -6.279 5.467 -32.761 214 HA2 GLY 29 HA2 GLY 29 -7.816 3.103 -33.131 215 HA3 GLY 29 HA3 GLY 29 -6.257 2.716 -32.419 216 H PHE 30 H PHE 30 -5.831 4.824 -30.733 217 HA PHE 30 HA PHE 30 -8.149 4.748 -28.919 218 HB2 PHE 30 HB2 PHE 30 -6.551 3.224 -27.997 219 HB3 PHE 30 HB3 PHE 30 -5.230 4.360 -28.252 220 HD1 PHE 30 HD2 PHE 30 -8.599 4.785 -26.717 221 HD2 PHE 30 HD1 PHE 30 -4.378 4.931 -26.194 222 HE1 PHE 30 HE2 PHE 30 -8.916 5.656 -24.438 223 HE2 PHE 30 HE1 PHE 30 -4.688 5.802 -23.913 224 HZ PHE 30 HZ PHE 30 -6.959 6.166 -23.033 225 H SER 31 H SER 31 -5.279 6.476 -29.996 226 HA SER 31 HA SER 31 -6.009 8.841 -28.467 227 HB2 SER 31 HB2 SER 31 -3.605 7.858 -29.823 228 HB3 SER 31 HB3 SER 31 -3.901 9.576 -30.090 229 HG SER 31 HG SER 31 -3.682 9.964 -27.977 230 H LEU 32 H LEU 32 -5.665 7.866 -31.862 231 HA LEU 32 HA LEU 32 -6.542 8.699 -33.786 232 HB2 LEU 32 HB2 LEU 32 -8.652 8.395 -32.536 233 HB3 LEU 32 HB3 LEU 32 -8.509 10.048 -31.942 234 HG LEU 32 HG LEU 32 -8.399 10.406 -34.651 235 HD11 LEU 32 HD11 LEU 32 -9.009 7.885 -34.723 236 HD12 LEU 32 HD12 LEU 32 -9.862 9.017 -35.772 237 HD13 LEU 32 HD13 LEU 32 -10.624 8.445 -34.288 238 HD21 LEU 32 HD21 LEU 32 -9.783 11.882 -33.653 239 HD22 LEU 32 HD22 LEU 32 -10.424 10.686 -32.525 240 HD23 LEU 32 HD23 LEU 32 -11.026 10.748 -34.182 241 H LYS 33 H LYS 33 -4.355 9.977 -33.258 242 HA LYS 33 HA LYS 33 -4.894 12.696 -34.110 243 HB2 LYS 33 HB2 LYS 33 -3.178 12.182 -31.676 244 HB3 LYS 33 HB3 LYS 33 -3.528 13.745 -32.403 245 HG2 LYS 33 HG2 LYS 33 -5.884 13.497 -31.816 246 HG3 LYS 33 HG3 LYS 33 -5.538 11.925 -31.092 247 HD2 LYS 33 HD2 LYS 33 -5.269 13.067 -29.183 248 HD3 LYS 33 HD3 LYS 33 -3.712 13.552 -29.858 249 HE2 LYS 33 HE2 LYS 33 -4.544 15.624 -30.573 250 HE3 LYS 33 HE3 LYS 33 -6.221 15.102 -30.419 251 HZ1 LYS 33 HZ1 LYS 33 -6.265 15.785 -28.325 252 HZ2 LYS 33 HZ2 LYS 33 -4.743 16.486 -28.557 253 HZ3 LYS 33 HZ3 LYS 33 -4.866 14.920 -27.930 254 H ASN 34 H ASN 34 -2.641 13.853 -34.392 255 HA ASN 34 HA ASN 34 -0.351 12.280 -34.885 256 HB2 ASN 34 HB2 ASN 34 -0.370 12.448 -37.392 257 HB3 ASN 34 HB3 ASN 34 -1.558 11.328 -36.730 258 HD21 ASN 34 HD21 ASN 34 -3.643 11.606 -37.208 259 HD22 ASN 34 HD22 ASN 34 -4.286 12.943 -38.093 260 H ASP 35 H ASP 35 1.421 13.544 -35.243 261 HA ASP 35 HA ASP 35 0.942 16.434 -35.281 262 HB2 ASP 35 HB2 ASP 35 2.945 14.682 -34.064 263 HB3 ASP 35 HB3 ASP 35 3.647 16.086 -34.863 264 H CYS 36 H CYS 36 1.395 17.639 -37.004 265 HA CYS 36 HA CYS 36 2.059 16.569 -39.484 266 HB2 CYS 36 HB2 CYS 36 1.640 19.220 -38.358 267 HB3 CYS 36 HB3 CYS 36 2.867 19.228 -39.622 268 H TRP 37 H TRP 37 4.010 17.809 -40.737 269 HA TRP 37 HA TRP 37 6.440 17.060 -39.249 270 HB2 TRP 37 HB2 TRP 37 7.295 16.978 -41.790 271 HB3 TRP 37 HB3 TRP 37 6.557 15.593 -40.990 272 HD1 TRP 37 HD1 TRP 37 4.747 14.470 -42.391 273 HE1 TRP 37 HE1 TRP 37 3.119 15.200 -44.246 274 HE3 TRP 37 HE3 TRP 37 5.937 19.437 -42.607 275 HZ2 TRP 37 HZ2 TRP 37 2.431 17.568 -45.620 276 HZ3 TRP 37 HZ3 TRP 37 4.748 20.866 -44.220 277 HH2 TRP 37 HH2 TRP 37 3.033 19.949 -45.694 278 H CYS 38 H CYS 38 8.403 18.134 -40.702 279 HA CYS 38 HA CYS 38 8.598 20.749 -39.887 280 HB2 CYS 38 HB2 CYS 38 10.360 20.961 -41.723 281 HB3 CYS 38 HB3 CYS 38 10.590 19.665 -40.554 282 H CYS 39 H CYS 39 7.297 22.390 -40.353 283 HA CYS 39 HA CYS 39 5.576 22.561 -42.540 284 HB2 CYS 39 HB2 CYS 39 6.429 24.305 -40.360 285 HB3 CYS 39 HB3 CYS 39 6.044 25.197 -41.828 286 H LEU 40 H LEU 40 5.767 24.865 -43.845 287 HA LEU 40 HA LEU 40 7.433 24.422 -45.968 288 HB2 LEU 40 HB2 LEU 40 5.707 26.483 -45.109 289 HB3 LEU 40 HB3 LEU 40 7.219 27.249 -45.591 290 HG LEU 40 HG LEU 40 6.003 25.277 -47.454 291 HD11 LEU 40 HD11 LEU 40 4.885 27.996 -46.854 292 HD12 LEU 40 HD12 LEU 40 4.034 26.458 -46.994 293 HD13 LEU 40 HD13 LEU 40 4.695 27.233 -48.433 294 HD21 LEU 40 HD21 LEU 40 6.792 27.534 -48.814 295 HD22 LEU 40 HD22 LEU 40 7.755 26.074 -48.585 296 HD23 LEU 40 HD23 LEU 40 7.950 27.441 -47.487 297 H ARG 41 H ARG 41 8.067 26.941 -43.519 298 HA ARG 41 HA ARG 41 10.802 26.189 -43.219 299 HB2 ARG 41 HB2 ARG 41 11.890 28.007 -44.286 300 HB3 ARG 41 HB3 ARG 41 10.769 27.347 -45.470 301 HG2 ARG 41 HG2 ARG 41 9.944 29.379 -45.748 302 HG3 ARG 41 HG3 ARG 41 9.351 29.329 -44.086 303 HD2 ARG 41 HD2 ARG 41 10.644 31.258 -44.125 304 HD3 ARG 41 HD3 ARG 41 11.742 30.055 -43.449 305 HE ARG 41 HE ARG 41 12.222 29.984 -46.135 306 HH11 ARG 41 HH11 ARG 41 12.246 32.466 -43.694 307 HH12 ARG 41 HH12 ARG 41 13.474 33.406 -44.477 308 HH21 ARG 41 HH21 ARG 41 13.838 31.212 -47.175 309 HH22 ARG 41 HH22 ARG 41 14.377 32.692 -46.457 310 H LEU 42 H LEU 42 11.960 27.615 -41.728 311 HA LEU 42 HA LEU 42 10.492 29.676 -40.356 312 HB2 LEU 42 HB2 LEU 42 10.897 28.380 -38.127 313 HB3 LEU 42 HB3 LEU 42 9.450 28.083 -39.089 314 HG LEU 42 HG LEU 42 11.634 26.301 -39.800 315 HD11 LEU 42 HD11 LEU 42 12.081 25.240 -37.848 316 HD12 LEU 42 HD12 LEU 42 10.520 25.649 -37.136 317 HD13 LEU 42 HD13 LEU 42 11.803 26.857 -37.201 318 HD21 LEU 42 HD21 LEU 42 9.665 25.495 -40.562 319 HD22 LEU 42 HD22 LEU 42 8.732 26.232 -39.259 320 HD23 LEU 42 HD23 LEU 42 9.619 24.735 -38.971 321 H LYS 43 H LYS 43 11.800 30.993 -39.119 322 HA LYS 43 HA LYS 43 14.678 30.448 -39.347 323 HB2 LYS 43 HB2 LYS 43 14.938 32.897 -38.952 324 HB3 LYS 43 HB3 LYS 43 14.034 32.507 -40.409 325 HG2 LYS 43 HG2 LYS 43 12.147 33.458 -39.651 326 HG3 LYS 43 HG3 LYS 43 12.402 32.896 -37.998 327 HD2 LYS 43 HD2 LYS 43 13.674 34.726 -37.429 328 HD3 LYS 43 HD3 LYS 43 14.188 35.019 -39.092 329 HE2 LYS 43 HE2 LYS 43 12.552 36.495 -39.372 330 HE3 LYS 43 HE3 LYS 43 11.347 35.289 -38.921 331 HZ1 LYS 43 HZ1 LYS 43 11.995 37.542 -37.512 332 HZ2 LYS 43 HZ2 LYS 43 12.746 36.297 -36.648 333 HZ3 LYS 43 HZ3 LYS 43 11.081 36.236 -36.945 334 H THR 44 H THR 44 12.564 29.656 -37.214 335 HA THR 44 HA THR 44 14.335 29.732 -35.003 336 HB THR 44 HB THR 44 13.503 32.089 -34.940 337 HG1 THR 44 HG1 THR 44 14.132 31.421 -32.972 338 HG21 THR 44 HG21 THR 44 11.258 32.609 -34.448 339 HG22 THR 44 HG22 THR 44 10.865 30.930 -34.076 340 HG23 THR 44 HG23 THR 44 11.174 31.416 -35.743 341 H LYS 45 H LYS 45 11.022 29.366 -36.146 342 HA LYS 45 HA LYS 45 10.712 26.743 -35.327 343 HB2 LYS 45 HB2 LYS 45 10.804 27.279 -33.047 344 HB3 LYS 45 HB3 LYS 45 9.886 28.763 -33.264 345 HG2 LYS 45 HG2 LYS 45 7.864 27.491 -33.661 346 HG3 LYS 45 HG3 LYS 45 8.768 25.980 -33.537 347 HD2 LYS 45 HD2 LYS 45 9.437 27.206 -31.200 348 HD3 LYS 45 HD3 LYS 45 7.781 27.772 -31.431 349 HE2 LYS 45 HE2 LYS 45 7.048 25.440 -31.710 350 HE3 LYS 45 HE3 LYS 45 8.701 24.898 -31.427 351 HZ1 LYS 45 HZ1 LYS 45 7.121 26.474 -29.471 352 HZ2 LYS 45 HZ2 LYS 45 8.621 25.736 -29.213 353 HZ3 LYS 45 HZ3 LYS 45 7.241 24.786 -29.446 354 H GLN 46 H GLN 46 9.234 29.851 -35.912 355 HA GLN 46 HA GLN 46 7.150 28.517 -37.472 356 HB2 GLN 46 HB2 GLN 46 5.419 30.012 -36.574 357 HB3 GLN 46 HB3 GLN 46 6.111 28.992 -35.319 358 HG2 GLN 46 HG2 GLN 46 6.432 30.822 -34.122 359 HG3 GLN 46 HG3 GLN 46 7.662 31.298 -35.292 360 HE21 GLN 46 HE21 GLN 46 7.307 33.013 -36.571 361 HE22 GLN 46 HE22 GLN 46 5.852 33.945 -36.583 362 H ALA 47 H ALA 47 6.486 29.628 -39.279 363 HA ALA 47 HA ALA 47 6.950 32.364 -39.765 364 HB1 ALA 47 HB1 ALA 47 8.796 32.317 -41.287 365 HB2 ALA 47 HB2 ALA 47 9.310 31.563 -39.777 366 HB3 ALA 47 HB3 ALA 47 8.911 30.561 -41.172 367 H ARG 48 H ARG 48 7.448 29.555 -41.896 368 HA ARG 48 HA ARG 48 4.990 30.325 -43.328 369 HB2 ARG 48 HB2 ARG 48 7.434 29.064 -44.576 370 HB3 ARG 48 HB3 ARG 48 6.016 29.689 -45.407 371 HG2 ARG 48 HG2 ARG 48 6.886 31.870 -43.996 372 HG3 ARG 48 HG3 ARG 48 8.392 31.075 -44.457 373 HD2 ARG 48 HD2 ARG 48 6.218 31.501 -46.469 374 HD3 ARG 48 HD3 ARG 48 7.325 32.811 -46.060 375 HE ARG 48 HE ARG 48 7.912 30.467 -47.615 376 HH11 ARG 48 HH11 ARG 48 9.246 32.974 -45.601 377 HH12 ARG 48 HH12 ARG 48 10.834 32.858 -46.284 378 HH21 ARG 48 HH21 ARG 48 9.998 30.305 -48.522 379 HH22 ARG 48 HH22 ARG 48 11.261 31.340 -47.947 380 H CYS 49 H CYS 49 3.459 28.828 -43.292 381 HA CYS 49 HA CYS 49 4.256 26.007 -42.984 382 HB2 CYS 49 HB2 CYS 49 2.523 27.622 -41.353 383 HB3 CYS 49 HB3 CYS 49 1.599 26.308 -42.073 384 H TRP 50 H TRP 50 2.149 24.603 -43.525 385 HA TRP 50 HA TRP 50 1.523 25.285 -46.291 386 HB2 TRP 50 HB2 TRP 50 2.278 22.931 -45.176 387 HB3 TRP 50 HB3 TRP 50 0.527 22.741 -45.164 388 HD1 TRP 50 HD1 TRP 50 -0.556 23.518 -47.781 389 HE1 TRP 50 HE1 TRP 50 0.256 22.590 -50.040 390 HE3 TRP 50 HE3 TRP 50 4.085 21.900 -46.373 391 HZ2 TRP 50 HZ2 TRP 50 2.558 21.337 -51.087 392 HZ3 TRP 50 HZ3 TRP 50 5.530 20.847 -48.064 393 HH2 TRP 50 HH2 TRP 50 4.780 20.572 -50.371 394 H LYS 51 H LYS 51 -0.342 26.189 -46.829 395 HA LYS 51 HA LYS 51 -2.456 26.486 -44.902 396 HB2 LYS 51 HB2 LYS 51 -1.736 27.640 -47.491 397 HB3 LYS 51 HB3 LYS 51 -3.466 27.381 -47.310 398 HG2 LYS 51 HG2 LYS 51 -3.680 28.980 -45.732 399 HG3 LYS 51 HG3 LYS 51 -2.094 28.653 -45.029 400 HD2 LYS 51 HD2 LYS 51 -1.515 29.631 -47.554 401 HD3 LYS 51 HD3 LYS 51 -2.878 30.617 -47.021 402 HE2 LYS 51 HE2 LYS 51 -1.578 30.894 -44.833 403 HE3 LYS 51 HE3 LYS 51 -0.193 30.264 -45.722 404 HZ1 LYS 51 HZ1 LYS 51 -0.783 32.841 -45.598 405 HZ2 LYS 51 HZ2 LYS 51 -1.660 32.435 -46.986 406 HZ3 LYS 51 HZ3 LYS 51 0.005 32.146 -46.924 407 H GLU 52 H GLU 52 -3.298 24.450 -44.506 408 HA GLU 52 HA GLU 52 -4.013 22.583 -46.487 409 HB2 GLU 52 HB2 GLU 52 -5.320 22.856 -43.782 410 HB3 GLU 52 HB3 GLU 52 -5.169 21.402 -44.758 411 HG2 GLU 52 HG2 GLU 52 -3.320 20.903 -43.661 412 HG3 GLU 52 HG3 GLU 52 -2.558 22.338 -44.345 413 H LYS 53 H LYS 53 -5.441 25.521 -45.577 414 HA LYS 53 HA LYS 53 -8.155 24.880 -46.218 415 HB2 LYS 53 HB2 LYS 53 -8.559 27.271 -46.049 416 HB3 LYS 53 HB3 LYS 53 -7.556 26.737 -44.707 417 HG2 LYS 53 HG2 LYS 53 -5.570 27.501 -46.115 418 HG3 LYS 53 HG3 LYS 53 -6.761 28.333 -47.117 419 HD2 LYS 53 HD2 LYS 53 -7.494 29.067 -44.575 420 HD3 LYS 53 HD3 LYS 53 -5.733 29.009 -44.467 421 HE2 LYS 53 HE2 LYS 53 -5.451 30.736 -45.924 422 HE3 LYS 53 HE3 LYS 53 -6.906 30.345 -46.839 423 HZ1 LYS 53 HZ1 LYS 53 -7.534 31.159 -44.185 424 HZ2 LYS 53 HZ2 LYS 53 -8.077 31.792 -45.656 425 HZ3 LYS 53 HZ3 LYS 53 -6.627 32.344 -44.982 426 H GLU 54 H GLU 54 -5.379 26.056 -47.985 427 HA GLU 54 HA GLU 54 -7.029 26.413 -50.388 428 HB2 GLU 54 HB2 GLU 54 -4.315 27.412 -49.584 429 HB3 GLU 54 HB3 GLU 54 -4.778 27.362 -51.279 430 HG2 GLU 54 HG2 GLU 54 -6.754 28.615 -49.520 431 HG3 GLU 54 HG3 GLU 54 -5.206 29.453 -49.605 432 H PHE 55 H PHE 55 -4.174 24.724 -49.168 433 HA PHE 55 HA PHE 55 -4.214 23.029 -51.575 434 HB2 PHE 55 HB2 PHE 55 -1.922 23.191 -49.631 435 HB3 PHE 55 HB3 PHE 55 -1.906 22.632 -51.301 436 HD1 PHE 55 HD2 PHE 55 -2.426 24.394 -53.113 437 HD2 PHE 55 HD1 PHE 55 -1.284 25.354 -49.126 438 HE1 PHE 55 HE2 PHE 55 -1.729 26.633 -53.855 439 HE2 PHE 55 HE1 PHE 55 -0.587 27.596 -49.862 440 HZ PHE 55 HZ PHE 55 -0.807 28.237 -52.230 441 HA PRO 56 HA PRO 56 -5.871 20.006 -48.705 442 HB2 PRO 56 HB2 PRO 56 -6.401 18.143 -50.607 443 HB3 PRO 56 HB3 PRO 56 -7.445 19.538 -50.313 444 HG2 PRO 56 HG2 PRO 56 -5.360 19.145 -52.425 445 HG3 PRO 56 HG3 PRO 56 -6.981 19.848 -52.570 446 HD2 PRO 56 HD2 PRO 56 -4.744 21.365 -52.403 447 HD3 PRO 56 HD3 PRO 56 -6.306 21.891 -51.743 448 H ASN 57 H ASN 57 -3.175 19.778 -50.848 449 HA ASN 57 HA ASN 57 -2.311 17.170 -50.464 450 HB2 ASN 57 HB2 ASN 57 -1.338 19.279 -51.830 451 HB3 ASN 57 HB3 ASN 57 -0.219 19.274 -50.470 452 HD21 ASN 57 HD21 ASN 57 -0.028 16.577 -49.965 453 HD22 ASN 57 HD22 ASN 57 0.740 15.799 -51.303 454 H ALA 58 H ALA 58 -1.716 20.041 -48.471 455 HA ALA 58 HA ALA 58 0.017 18.846 -46.615 456 HB1 ALA 58 HB1 ALA 58 0.113 20.946 -45.913 457 HB2 ALA 58 HB2 ALA 58 -1.253 21.361 -46.950 458 HB3 ALA 58 HB3 ALA 58 -1.534 20.823 -45.294 459 H LYS 59 H LYS 59 -3.508 19.113 -46.689 460 HA LYS 59 HA LYS 59 -4.019 18.081 -44.127 461 HB2 LYS 59 HB2 LYS 59 -5.681 19.252 -45.577 462 HB3 LYS 59 HB3 LYS 59 -5.759 17.813 -46.585 463 HG2 LYS 59 HG2 LYS 59 -6.188 17.021 -43.895 464 HG3 LYS 59 HG3 LYS 59 -7.221 18.411 -44.235 465 HD2 LYS 59 HD2 LYS 59 -8.618 16.856 -45.076 466 HD3 LYS 59 HD3 LYS 59 -7.569 16.954 -46.493 467 HE2 LYS 59 HE2 LYS 59 -6.622 14.933 -46.098 468 HE3 LYS 59 HE3 LYS 59 -6.716 15.111 -44.346 469 HZ1 LYS 59 HZ1 LYS 59 -8.284 13.487 -45.784 470 HZ2 LYS 59 HZ2 LYS 59 -9.268 14.859 -45.683 471 HZ3 LYS 59 HZ3 LYS 59 -8.706 14.115 -44.271 472 H GLU 60 H GLU 60 -3.777 16.473 -47.282 473 HA GLU 60 HA GLU 60 -4.374 13.877 -46.336 474 HB2 GLU 60 HB2 GLU 60 -3.438 15.090 -48.826 475 HB3 GLU 60 HB3 GLU 60 -2.771 13.487 -48.549 476 HG2 GLU 60 HG2 GLU 60 -5.172 12.752 -48.109 477 HG3 GLU 60 HG3 GLU 60 -5.643 14.292 -48.824 478 H LEU 61 H LEU 61 -1.334 15.619 -46.803 479 HA LEU 61 HA LEU 61 0.366 13.443 -46.172 480 HB2 LEU 61 HB2 LEU 61 0.860 16.410 -45.974 481 HB3 LEU 61 HB3 LEU 61 2.102 15.163 -45.877 482 HG LEU 61 HG LEU 61 0.385 15.327 -48.314 483 HD11 LEU 61 HD11 LEU 61 1.063 17.609 -48.043 484 HD12 LEU 61 HD12 LEU 61 2.056 16.876 -49.303 485 HD13 LEU 61 HD13 LEU 61 2.721 17.124 -47.688 486 HD21 LEU 61 HD21 LEU 61 3.193 14.444 -47.687 487 HD22 LEU 61 HD22 LEU 61 2.575 14.605 -49.332 488 HD23 LEU 61 HD23 LEU 61 1.833 13.454 -48.219 489 H CYS 62 H CYS 62 -1.074 16.029 -44.247 490 HA CYS 62 HA CYS 62 0.307 15.440 -41.844 491 HB2 CYS 62 HB2 CYS 62 -1.925 17.160 -42.677 492 HB3 CYS 62 HB3 CYS 62 -2.041 16.589 -41.016 493 H PHE 63 H PHE 63 -2.796 14.390 -43.170 494 HA PHE 63 HA PHE 63 -3.551 12.903 -40.849 495 HB2 PHE 63 HB2 PHE 63 -4.681 13.511 -43.461 496 HB3 PHE 63 HB3 PHE 63 -4.969 11.838 -42.994 497 HD1 PHE 63 HD1 PHE 63 -4.872 15.023 -41.055 498 HD2 PHE 63 HD2 PHE 63 -7.127 11.615 -42.246 499 HE1 PHE 63 HE1 PHE 63 -6.728 15.752 -39.613 500 HE2 PHE 63 HE2 PHE 63 -8.987 12.339 -40.807 501 HZ PHE 63 HZ PHE 63 -8.789 14.410 -39.489 502 H ALA 64 H ALA 64 -2.105 12.083 -43.974 503 HA ALA 64 HA ALA 64 -2.004 9.272 -43.425 504 HB1 ALA 64 HB1 ALA 64 -0.628 9.161 -45.472 505 HB2 ALA 64 HB2 ALA 64 -2.142 10.034 -45.711 506 HB3 ALA 64 HB3 ALA 64 -0.629 10.923 -45.540 507 H ASN 65 H ASN 65 -0.046 11.973 -42.636 508 HA ASN 65 HA ASN 65 2.507 10.943 -42.511 509 HB2 ASN 65 HB2 ASN 65 2.479 13.174 -41.966 510 HB3 ASN 65 HB3 ASN 65 1.029 13.024 -40.978 511 HD21 ASN 65 HD21 ASN 65 1.241 12.904 -38.842 512 HD22 ASN 65 HD22 ASN 65 2.738 12.725 -37.998 513 H CYS 66 H CYS 66 2.912 8.935 -41.787 514 HA CYS 66 HA CYS 66 2.396 8.395 -38.962 515 HB2 CYS 66 HB2 CYS 66 1.141 6.996 -41.211 516 HB3 CYS 66 HB3 CYS 66 1.951 5.918 -40.079 517 HA PRO 67 HA PRO 67 6.511 6.857 -39.039 518 HB2 PRO 67 HB2 PRO 67 6.416 5.130 -36.946 519 HB3 PRO 67 HB3 PRO 67 6.418 6.886 -36.743 520 HG2 PRO 67 HG2 PRO 67 4.115 4.975 -36.681 521 HG3 PRO 67 HG3 PRO 67 4.457 6.350 -35.615 522 HD2 PRO 67 HD2 PRO 67 2.673 6.491 -37.647 523 HD3 PRO 67 HD3 PRO 67 3.639 7.887 -37.125 524 HA PRO 68 HA PRO 68 6.802 3.003 -41.136 525 HB2 PRO 68 HB2 PRO 68 9.087 1.935 -40.133 526 HB3 PRO 68 HB3 PRO 68 9.076 3.320 -41.231 527 HG2 PRO 68 HG2 PRO 68 9.340 3.269 -38.249 528 HG3 PRO 68 HG3 PRO 68 10.236 4.236 -39.435 529 HD2 PRO 68 HD2 PRO 68 8.178 5.242 -37.991 530 HD3 PRO 68 HD3 PRO 68 8.539 5.783 -39.643 531 H LEU 69 H LEU 69 7.365 0.562 -40.685 532 HA LEU 69 HA LEU 69 6.092 -0.247 -38.156 533 HB2 LEU 69 HB2 LEU 69 5.705 -1.704 -40.754 534 HB3 LEU 69 HB3 LEU 69 4.816 -1.907 -39.246 535 HG LEU 69 HG LEU 69 4.150 0.619 -39.756 536 HD11 LEU 69 HD11 LEU 69 4.153 -0.417 -42.544 537 HD12 LEU 69 HD12 LEU 69 5.626 0.320 -41.913 538 HD13 LEU 69 HD13 LEU 69 4.125 1.244 -41.953 539 HD21 LEU 69 HD21 LEU 69 2.299 -0.632 -39.530 540 HD22 LEU 69 HD22 LEU 69 2.987 -1.996 -40.413 541 HD23 LEU 69 HD23 LEU 69 2.297 -0.631 -41.294 542 H GLU 70 H GLU 70 8.911 -0.058 -38.836 543 HA GLU 70 HA GLU 70 9.869 -2.725 -39.322 544 HB2 GLU 70 HB2 GLU 70 10.987 -0.317 -39.699 545 HB3 GLU 70 HB3 GLU 70 11.656 -0.683 -38.115 546 HG2 GLU 70 HG2 GLU 70 11.842 -2.624 -40.390 547 HG3 GLU 70 HG3 GLU 70 13.020 -1.333 -40.167 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -16.795 -5.677 -2.834 2 HA2 GLY 1 HA2 GLY 1 -16.325 -4.265 -1.086 3 HA3 GLY 1 HA3 GLY 1 -14.644 -4.362 -1.588 4 HA PRO 2 HA PRO 2 -16.151 0.002 -2.164 5 HB2 PRO 2 HB2 PRO 2 -14.064 1.157 -0.866 6 HB3 PRO 2 HB3 PRO 2 -15.526 0.607 -0.037 7 HG2 PRO 2 HG2 PRO 2 -12.869 -0.748 -0.292 8 HG3 PRO 2 HG3 PRO 2 -13.918 -0.601 1.130 9 HD2 PRO 2 HD2 PRO 2 -13.811 -2.849 -0.377 10 HD3 PRO 2 HD3 PRO 2 -15.292 -2.322 0.450 11 H GLU 3 H GLU 3 -14.479 1.921 -2.789 12 HA GLU 3 HA GLU 3 -13.253 1.004 -5.233 13 HB2 GLU 3 HB2 GLU 3 -14.540 3.096 -5.179 14 HB3 GLU 3 HB3 GLU 3 -13.396 3.774 -4.030 15 HG2 GLU 3 HG2 GLU 3 -11.937 4.314 -5.624 16 HG3 GLU 3 HG3 GLU 3 -12.136 2.775 -6.459 17 H LYS 4 H LYS 4 -11.543 -0.286 -4.408 18 HA LYS 4 HA LYS 4 -9.350 1.225 -3.153 19 HB2 LYS 4 HB2 LYS 4 -10.460 -1.026 -2.208 20 HB3 LYS 4 HB3 LYS 4 -9.261 -1.743 -3.277 21 HG2 LYS 4 HG2 LYS 4 -8.515 0.348 -1.263 22 HG3 LYS 4 HG3 LYS 4 -8.615 -1.362 -0.838 23 HD2 LYS 4 HD2 LYS 4 -6.969 -1.900 -2.550 24 HD3 LYS 4 HD3 LYS 4 -6.898 -0.204 -3.034 25 HE2 LYS 4 HE2 LYS 4 -6.462 -0.350 -0.229 26 HE3 LYS 4 HE3 LYS 4 -5.420 -1.539 -1.008 27 HZ1 LYS 4 HZ1 LYS 4 -5.531 1.121 -2.202 28 HZ2 LYS 4 HZ2 LYS 4 -4.226 0.055 -2.056 29 HZ3 LYS 4 HZ3 LYS 4 -4.717 0.977 -0.726 30 H MET 5 H MET 5 -8.280 2.057 -4.894 31 HA MET 5 HA MET 5 -7.694 0.440 -7.209 32 HB2 MET 5 HB2 MET 5 -6.633 2.401 -8.103 33 HB3 MET 5 HB3 MET 5 -8.139 2.892 -7.340 34 HG2 MET 5 HG2 MET 5 -6.859 3.588 -5.348 35 HG3 MET 5 HG3 MET 5 -5.371 3.181 -6.198 36 HE1 MET 5 HE1 MET 5 -4.314 5.643 -5.953 37 HE2 MET 5 HE2 MET 5 -5.297 7.092 -6.165 38 HE3 MET 5 HE3 MET 5 -5.705 5.926 -4.906 39 H GLU 6 H GLU 6 -5.454 0.192 -8.010 40 HA GLU 6 HA GLU 6 -3.465 -0.005 -5.859 41 HB2 GLU 6 HB2 GLU 6 -4.333 -2.188 -7.739 42 HB3 GLU 6 HB3 GLU 6 -2.743 -2.203 -6.989 43 HG2 GLU 6 HG2 GLU 6 -3.548 -2.824 -4.997 44 HG3 GLU 6 HG3 GLU 6 -4.956 -1.770 -5.122 45 H VAL 7 H VAL 7 -3.668 -0.820 -9.326 46 HA VAL 7 HA VAL 7 -2.076 1.333 -10.206 47 HB VAL 7 HB VAL 7 -0.311 0.091 -8.972 48 HG11 VAL 7 HG11 VAL 7 -0.332 -2.017 -11.075 49 HG12 VAL 7 HG12 VAL 7 0.296 -2.072 -9.427 50 HG13 VAL 7 HG13 VAL 7 -1.442 -2.166 -9.713 51 HG21 VAL 7 HG21 VAL 7 1.331 0.433 -10.583 52 HG22 VAL 7 HG22 VAL 7 0.286 -0.090 -11.903 53 HG23 VAL 7 HG23 VAL 7 0.014 1.471 -11.129 54 H LYS 8 H LYS 8 -1.856 1.384 -12.449 55 HA LYS 8 HA LYS 8 -2.870 -0.917 -13.954 56 HB2 LYS 8 HB2 LYS 8 -4.301 0.558 -15.316 57 HB3 LYS 8 HB3 LYS 8 -4.799 0.527 -13.629 58 HG2 LYS 8 HG2 LYS 8 -4.535 2.719 -13.429 59 HG3 LYS 8 HG3 LYS 8 -2.913 2.656 -14.122 60 HD2 LYS 8 HD2 LYS 8 -3.875 2.649 -16.372 61 HD3 LYS 8 HD3 LYS 8 -5.499 2.698 -15.681 62 HE2 LYS 8 HE2 LYS 8 -5.236 4.922 -16.022 63 HE3 LYS 8 HE3 LYS 8 -4.447 4.825 -14.449 64 HZ1 LYS 8 HZ1 LYS 8 -2.492 5.360 -15.335 65 HZ2 LYS 8 HZ2 LYS 8 -3.343 5.827 -16.719 66 HZ3 LYS 8 HZ3 LYS 8 -2.664 4.281 -16.626 67 H GLU 9 H GLU 9 -2.521 -0.620 -16.345 68 HA GLU 9 HA GLU 9 -0.444 1.245 -17.107 69 HB2 GLU 9 HB2 GLU 9 0.082 -1.624 -16.600 70 HB3 GLU 9 HB3 GLU 9 0.764 -0.963 -18.079 71 HG2 GLU 9 HG2 GLU 9 1.842 0.813 -16.734 72 HG3 GLU 9 HG3 GLU 9 1.241 0.024 -15.277 73 H ILE 10 H ILE 10 -1.357 -1.918 -18.435 74 HA ILE 10 HA ILE 10 -2.135 -2.519 -20.492 75 HB ILE 10 HB ILE 10 -3.809 -0.017 -20.288 76 HG12 ILE 10 HG12 ILE 10 -5.226 -2.340 -19.444 77 HG13 ILE 10 HG13 ILE 10 -3.720 -2.270 -18.535 78 HG21 ILE 10 HG21 ILE 10 -4.127 -0.897 -22.416 79 HG22 ILE 10 HG22 ILE 10 -4.006 -2.563 -21.852 80 HG23 ILE 10 HG23 ILE 10 -5.444 -1.610 -21.486 81 HD11 ILE 10 HD11 ILE 10 -5.708 -0.022 -18.750 82 HD12 ILE 10 HD12 ILE 10 -5.581 -1.147 -17.397 83 HD13 ILE 10 HD13 ILE 10 -4.249 -0.050 -17.760 84 H GLY 11 H GLY 11 0.182 -1.694 -21.062 85 HA2 GLY 11 HA2 GLY 11 0.009 0.545 -22.966 86 HA3 GLY 11 HA3 GLY 11 1.493 -0.076 -22.259 87 H ARG 12 H ARG 12 -0.880 -0.466 -24.761 88 HA ARG 12 HA ARG 12 0.988 -2.141 -26.239 89 HB2 ARG 12 HB2 ARG 12 -0.915 -3.681 -26.891 90 HB3 ARG 12 HB3 ARG 12 -0.317 -3.853 -25.246 91 HG2 ARG 12 HG2 ARG 12 -2.203 -2.427 -24.477 92 HG3 ARG 12 HG3 ARG 12 -2.830 -2.454 -26.127 93 HD2 ARG 12 HD2 ARG 12 -2.382 -4.845 -24.342 94 HD3 ARG 12 HD3 ARG 12 -3.940 -4.129 -24.754 95 HE ARG 12 HE ARG 12 -2.678 -4.798 -27.139 96 HH11 ARG 12 HH11 ARG 12 -3.938 -6.404 -24.319 97 HH12 ARG 12 HH12 ARG 12 -4.331 -7.864 -25.166 98 HH21 ARG 12 HH21 ARG 12 -3.191 -6.714 -28.265 99 HH22 ARG 12 HH22 ARG 12 -3.904 -8.040 -27.410 100 H SER 13 H SER 13 1.073 0.026 -27.275 101 HA SER 13 HA SER 13 -1.141 0.372 -29.190 102 HB2 SER 13 HB2 SER 13 0.438 2.734 -29.084 103 HB3 SER 13 HB3 SER 13 -1.234 2.520 -28.567 104 HG SER 13 HG SER 13 -0.058 3.213 -26.809 105 H SER 14 H SER 14 -0.200 1.819 -31.127 106 HA SER 14 HA SER 14 2.264 0.487 -32.046 107 HB2 SER 14 HB2 SER 14 0.548 1.328 -34.225 108 HB3 SER 14 HB3 SER 14 1.219 -0.267 -33.883 109 HG SER 14 HG SER 14 -0.827 -0.698 -33.540 110 H LYS 15 H LYS 15 1.971 3.064 -30.722 111 HA LYS 15 HA LYS 15 2.122 5.175 -32.607 112 HB2 LYS 15 HB2 LYS 15 2.706 6.566 -30.793 113 HB3 LYS 15 HB3 LYS 15 1.635 5.349 -30.111 114 HG2 LYS 15 HG2 LYS 15 4.612 5.028 -30.018 115 HG3 LYS 15 HG3 LYS 15 3.746 5.977 -28.808 116 HD2 LYS 15 HD2 LYS 15 3.500 4.037 -27.718 117 HD3 LYS 15 HD3 LYS 15 2.265 3.671 -28.925 118 HE2 LYS 15 HE2 LYS 15 3.580 2.180 -30.011 119 HE3 LYS 15 HE3 LYS 15 5.057 3.088 -29.692 120 HZ1 LYS 15 HZ1 LYS 15 4.152 0.815 -28.386 121 HZ2 LYS 15 HZ2 LYS 15 4.015 2.080 -27.272 122 HZ3 LYS 15 HZ3 LYS 15 5.506 1.754 -28.001 123 H ILE 16 H ILE 16 3.879 6.235 -33.485 124 HA ILE 16 HA ILE 16 6.576 5.609 -32.857 125 HB ILE 16 HB ILE 16 6.824 4.783 -35.427 126 HG12 ILE 16 HG12 ILE 16 4.397 3.314 -34.398 127 HG13 ILE 16 HG13 ILE 16 4.284 4.659 -35.527 128 HG21 ILE 16 HG21 ILE 16 7.986 3.307 -34.245 129 HG22 ILE 16 HG22 ILE 16 7.032 3.648 -32.803 130 HG23 ILE 16 HG23 ILE 16 6.489 2.423 -33.950 131 HD11 ILE 16 HD11 ILE 16 6.075 3.124 -36.809 132 HD12 ILE 16 HD12 ILE 16 5.145 1.885 -35.965 133 HD13 ILE 16 HD13 ILE 16 4.332 3.013 -37.050 134 H ILE 17 H ILE 17 8.095 6.557 -34.559 135 HA ILE 17 HA ILE 17 6.857 8.990 -35.672 136 HB ILE 17 HB ILE 17 9.060 10.070 -35.434 137 HG12 ILE 17 HG12 ILE 17 10.185 7.680 -35.397 138 HG13 ILE 17 HG13 ILE 17 10.928 9.039 -34.562 139 HG21 ILE 17 HG21 ILE 17 9.053 10.164 -32.919 140 HG22 ILE 17 HG22 ILE 17 7.502 10.480 -33.695 141 HG23 ILE 17 HG23 ILE 17 7.814 8.910 -32.954 142 HD11 ILE 17 HD11 ILE 17 9.026 7.327 -33.057 143 HD12 ILE 17 HD12 ILE 17 10.641 6.707 -33.400 144 HD13 ILE 17 HD13 ILE 17 10.447 8.208 -32.496 145 H LEU 18 H LEU 18 8.036 9.923 -37.557 146 HA LEU 18 HA LEU 18 9.353 7.889 -39.211 147 HB2 LEU 18 HB2 LEU 18 7.020 7.910 -39.871 148 HB3 LEU 18 HB3 LEU 18 7.071 9.660 -40.073 149 HG LEU 18 HG LEU 18 7.167 8.104 -42.154 150 HD11 LEU 18 HD11 LEU 18 9.322 10.143 -42.211 151 HD12 LEU 18 HD12 LEU 18 7.693 10.673 -41.796 152 HD13 LEU 18 HD13 LEU 18 7.992 9.865 -43.335 153 HD21 LEU 18 HD21 LEU 18 9.221 6.941 -40.964 154 HD22 LEU 18 HD22 LEU 18 10.111 8.235 -41.767 155 HD23 LEU 18 HD23 LEU 18 9.141 7.109 -42.718 156 HA PRO 19 HA PRO 19 12.051 11.482 -39.465 157 HB2 PRO 19 HB2 PRO 19 14.132 10.121 -40.555 158 HB3 PRO 19 HB3 PRO 19 13.764 10.090 -38.826 159 HG2 PRO 19 HG2 PRO 19 13.095 8.080 -40.941 160 HG3 PRO 19 HG3 PRO 19 13.698 7.813 -39.295 161 HD2 PRO 19 HD2 PRO 19 11.087 7.528 -39.954 162 HD3 PRO 19 HD3 PRO 19 11.612 8.085 -38.352 163 H ALA 20 H ALA 20 12.630 12.833 -41.129 164 HA ALA 20 HA ALA 20 12.893 12.082 -43.829 165 HB1 ALA 20 HB1 ALA 20 10.718 13.489 -44.456 166 HB2 ALA 20 HB2 ALA 20 10.686 11.740 -44.226 167 HB3 ALA 20 HB3 ALA 20 10.170 12.811 -42.923 168 H CYS 21 H CYS 21 11.132 14.898 -42.585 169 HA CYS 21 HA CYS 21 13.467 16.562 -43.268 170 HB2 CYS 21 HB2 CYS 21 12.051 18.250 -44.148 171 HB3 CYS 21 HB3 CYS 21 11.479 16.737 -44.844 172 H MET 22 H MET 22 10.936 15.834 -41.022 173 HA MET 22 HA MET 22 12.213 17.537 -39.040 174 HB2 MET 22 HB2 MET 22 9.991 18.491 -40.365 175 HB3 MET 22 HB3 MET 22 9.300 17.781 -38.912 176 HG2 MET 22 HG2 MET 22 9.746 20.097 -38.516 177 HG3 MET 22 HG3 MET 22 10.859 19.126 -37.555 178 HE1 MET 22 HE1 MET 22 11.968 21.085 -37.039 179 HE2 MET 22 HE2 MET 22 13.571 20.535 -37.528 180 HE3 MET 22 HE3 MET 22 12.971 22.101 -38.075 181 H HIS 23 H HIS 23 10.413 17.300 -36.992 182 HA HIS 23 HA HIS 23 10.540 14.426 -36.458 183 HB2 HIS 23 HB2 HIS 23 10.190 16.803 -34.624 184 HB3 HIS 23 HB3 HIS 23 10.138 15.129 -34.078 185 HD1 HIS 23 HD1 HIS 23 12.226 16.015 -32.583 186 HD2 HIS 23 HD2 HIS 23 12.886 15.597 -36.663 187 HE1 HIS 23 HE1 HIS 23 14.726 15.969 -32.859 188 H GLU 24 H GLU 24 8.755 13.354 -37.011 189 HA GLU 24 HA GLU 24 6.155 14.524 -36.265 190 HB2 GLU 24 HB2 GLU 24 5.221 13.179 -38.200 191 HB3 GLU 24 HB3 GLU 24 6.203 14.572 -38.631 192 HG2 GLU 24 HG2 GLU 24 7.902 12.303 -38.419 193 HG3 GLU 24 HG3 GLU 24 6.519 11.883 -39.428 194 H THR 25 H THR 25 4.426 12.847 -35.991 195 HA THR 25 HA THR 25 5.349 10.198 -35.240 196 HB THR 25 HB THR 25 3.797 11.682 -33.151 197 HG1 THR 25 HG1 THR 25 6.057 11.927 -32.202 198 HG21 THR 25 HG21 THR 25 5.630 9.294 -33.207 199 HG22 THR 25 HG22 THR 25 3.920 9.350 -32.778 200 HG23 THR 25 HG23 THR 25 5.123 10.064 -31.704 201 H CYS 26 H CYS 26 3.519 8.778 -34.593 202 HA CYS 26 HA CYS 26 0.856 9.662 -35.286 203 HB2 CYS 26 HB2 CYS 26 2.100 9.010 -37.454 204 HB3 CYS 26 HB3 CYS 26 1.967 7.355 -36.867 205 H SER 27 H SER 27 -0.753 8.316 -34.502 206 HA SER 27 HA SER 27 -0.241 5.689 -33.522 207 HB2 SER 27 HB2 SER 27 0.865 7.132 -31.770 208 HB3 SER 27 HB3 SER 27 -0.729 7.789 -31.402 209 HG SER 27 HG SER 27 0.003 5.048 -31.265 210 H GLY 28 H GLY 28 -2.091 4.649 -33.823 211 HA2 GLY 28 HA2 GLY 28 -4.611 6.048 -33.214 212 HA3 GLY 28 HA3 GLY 28 -4.411 5.235 -34.760 213 H GLY 29 H GLY 29 -3.364 4.185 -31.536 214 HA2 GLY 29 HA2 GLY 29 -5.250 1.924 -31.771 215 HA3 GLY 29 HA3 GLY 29 -3.577 1.679 -31.291 216 H PHE 30 H PHE 30 -2.912 3.119 -29.360 217 HA PHE 30 HA PHE 30 -5.118 3.218 -27.414 218 HB2 PHE 30 HB2 PHE 30 -3.789 1.205 -26.996 219 HB3 PHE 30 HB3 PHE 30 -2.321 2.174 -26.922 220 HD1 PHE 30 HD1 PHE 30 -1.859 3.590 -25.005 221 HD2 PHE 30 HD2 PHE 30 -5.357 1.171 -25.172 222 HE1 PHE 30 HE1 PHE 30 -2.187 3.904 -22.587 223 HE2 PHE 30 HE2 PHE 30 -5.692 1.483 -22.755 224 HZ PHE 30 HZ PHE 30 -4.107 2.851 -21.459 225 H SER 31 H SER 31 -1.866 4.337 -28.250 226 HA SER 31 HA SER 31 -1.731 6.371 -26.285 227 HB2 SER 31 HB2 SER 31 -0.167 5.572 -28.661 228 HB3 SER 31 HB3 SER 31 -0.056 7.277 -28.226 229 HG SER 31 HG SER 31 0.402 6.464 -26.034 230 H LEU 32 H LEU 32 -2.770 6.348 -29.665 231 HA LEU 32 HA LEU 32 -3.903 7.858 -30.934 232 HB2 LEU 32 HB2 LEU 32 -5.702 7.559 -29.450 233 HB3 LEU 32 HB3 LEU 32 -4.913 8.492 -28.180 234 HG LEU 32 HG LEU 32 -5.330 10.548 -29.361 235 HD11 LEU 32 HD11 LEU 32 -5.198 10.284 -31.606 236 HD12 LEU 32 HD12 LEU 32 -6.951 10.176 -31.446 237 HD13 LEU 32 HD13 LEU 32 -5.986 8.706 -31.581 238 HD21 LEU 32 HD21 LEU 32 -7.289 10.521 -28.319 239 HD22 LEU 32 HD22 LEU 32 -7.394 8.767 -28.468 240 HD23 LEU 32 HD23 LEU 32 -8.004 9.800 -29.761 241 H LYS 33 H LYS 33 -2.209 9.038 -31.770 242 HA LYS 33 HA LYS 33 -2.097 11.788 -31.024 243 HB2 LYS 33 HB2 LYS 33 0.238 11.921 -30.392 244 HB3 LYS 33 HB3 LYS 33 -0.601 10.820 -29.306 245 HG2 LYS 33 HG2 LYS 33 0.408 8.937 -30.242 246 HG3 LYS 33 HG3 LYS 33 0.893 9.809 -31.698 247 HD2 LYS 33 HD2 LYS 33 1.972 10.379 -28.940 248 HD3 LYS 33 HD3 LYS 33 2.766 9.333 -30.119 249 HE2 LYS 33 HE2 LYS 33 3.825 11.221 -30.726 250 HE3 LYS 33 HE3 LYS 33 2.337 11.554 -31.610 251 HZ1 LYS 33 HZ1 LYS 33 1.973 12.418 -28.985 252 HZ2 LYS 33 HZ2 LYS 33 2.079 13.362 -30.385 253 HZ3 LYS 33 HZ3 LYS 33 3.474 13.009 -29.495 254 H ASN 34 H ASN 34 -0.477 12.991 -32.398 255 HA ASN 34 HA ASN 34 0.650 11.729 -34.681 256 HB2 ASN 34 HB2 ASN 34 -1.835 11.689 -35.203 257 HB3 ASN 34 HB3 ASN 34 -1.763 13.447 -35.268 258 HD21 ASN 34 HD21 ASN 34 -1.502 10.639 -37.021 259 HD22 ASN 34 HD22 ASN 34 -0.732 11.271 -38.433 260 H ASP 35 H ASP 35 2.413 12.905 -34.972 261 HA ASP 35 HA ASP 35 2.305 15.793 -34.437 262 HB2 ASP 35 HB2 ASP 35 4.299 13.715 -33.969 263 HB3 ASP 35 HB3 ASP 35 4.974 15.126 -34.780 264 H CYS 36 H CYS 36 2.092 17.043 -36.161 265 HA CYS 36 HA CYS 36 2.304 16.227 -38.811 266 HB2 CYS 36 HB2 CYS 36 2.358 18.931 -37.498 267 HB3 CYS 36 HB3 CYS 36 2.546 18.771 -39.241 268 H TRP 37 H TRP 37 3.825 17.686 -40.343 269 HA TRP 37 HA TRP 37 6.581 17.244 -39.396 270 HB2 TRP 37 HB2 TRP 37 7.078 16.930 -41.902 271 HB3 TRP 37 HB3 TRP 37 6.257 15.619 -41.061 272 HD1 TRP 37 HD1 TRP 37 3.500 15.523 -41.456 273 HE1 TRP 37 HE1 TRP 37 2.163 16.062 -43.589 274 HE3 TRP 37 HE3 TRP 37 7.002 18.309 -43.928 275 HZ2 TRP 37 HZ2 TRP 37 2.543 17.479 -46.000 276 HZ3 TRP 37 HZ3 TRP 37 6.436 19.220 -46.143 277 HH2 TRP 37 HH2 TRP 37 4.252 18.811 -47.156 278 H CYS 38 H CYS 38 8.078 18.446 -41.214 279 HA CYS 38 HA CYS 38 7.911 21.162 -40.610 280 HB2 CYS 38 HB2 CYS 38 9.577 21.443 -42.484 281 HB3 CYS 38 HB3 CYS 38 10.020 20.250 -41.267 282 H CYS 39 H CYS 39 8.147 22.736 -42.726 283 HA CYS 39 HA CYS 39 5.810 22.279 -44.441 284 HB2 CYS 39 HB2 CYS 39 4.950 24.488 -44.060 285 HB3 CYS 39 HB3 CYS 39 5.174 23.723 -42.491 286 H LEU 40 H LEU 40 5.891 24.832 -45.663 287 HA LEU 40 HA LEU 40 7.460 24.520 -47.824 288 HB2 LEU 40 HB2 LEU 40 5.873 26.512 -46.928 289 HB3 LEU 40 HB3 LEU 40 7.450 27.293 -46.822 290 HG LEU 40 HG LEU 40 6.495 27.890 -48.914 291 HD11 LEU 40 HD11 LEU 40 8.904 27.281 -48.888 292 HD12 LEU 40 HD12 LEU 40 8.137 27.089 -50.464 293 HD13 LEU 40 HD13 LEU 40 8.461 25.674 -49.463 294 HD21 LEU 40 HD21 LEU 40 6.189 24.981 -49.615 295 HD22 LEU 40 HD22 LEU 40 5.569 26.387 -50.481 296 HD23 LEU 40 HD23 LEU 40 4.882 25.939 -48.919 297 H ARG 41 H ARG 41 8.494 26.652 -45.153 298 HA ARG 41 HA ARG 41 11.170 25.576 -45.235 299 HB2 ARG 41 HB2 ARG 41 12.304 27.599 -45.846 300 HB3 ARG 41 HB3 ARG 41 11.127 27.238 -47.102 301 HG2 ARG 41 HG2 ARG 41 9.673 28.846 -45.473 302 HG3 ARG 41 HG3 ARG 41 11.292 29.515 -45.267 303 HD2 ARG 41 HD2 ARG 41 11.045 29.060 -48.004 304 HD3 ARG 41 HD3 ARG 41 9.483 29.714 -47.511 305 HE ARG 41 HE ARG 41 11.509 31.282 -46.378 306 HH11 ARG 41 HH11 ARG 41 10.153 30.528 -49.494 307 HH12 ARG 41 HH12 ARG 41 10.563 32.061 -50.189 308 HH21 ARG 41 HH21 ARG 41 12.055 33.304 -47.282 309 HH22 ARG 41 HH22 ARG 41 11.646 33.639 -48.930 310 H LEU 42 H LEU 42 12.550 26.489 -43.546 311 HA LEU 42 HA LEU 42 11.478 28.268 -41.593 312 HB2 LEU 42 HB2 LEU 42 11.673 26.372 -39.789 313 HB3 LEU 42 HB3 LEU 42 10.174 26.642 -40.675 314 HG LEU 42 HG LEU 42 11.954 24.702 -41.948 315 HD11 LEU 42 HD11 LEU 42 12.170 24.467 -39.327 316 HD12 LEU 42 HD12 LEU 42 12.022 23.056 -40.373 317 HD13 LEU 42 HD13 LEU 42 10.610 23.665 -39.510 318 HD21 LEU 42 HD21 LEU 42 9.989 23.703 -42.534 319 HD22 LEU 42 HD22 LEU 42 9.411 25.347 -42.263 320 HD23 LEU 42 HD23 LEU 42 9.193 24.118 -41.016 321 H LYS 43 H LYS 43 13.004 28.889 -40.051 322 HA LYS 43 HA LYS 43 15.744 28.129 -40.720 323 HB2 LYS 43 HB2 LYS 43 16.396 30.108 -39.423 324 HB3 LYS 43 HB3 LYS 43 15.224 30.515 -40.670 325 HG2 LYS 43 HG2 LYS 43 14.238 31.641 -38.998 326 HG3 LYS 43 HG3 LYS 43 13.568 30.058 -38.598 327 HD2 LYS 43 HD2 LYS 43 14.408 30.689 -36.557 328 HD3 LYS 43 HD3 LYS 43 15.795 29.822 -37.221 329 HE2 LYS 43 HE2 LYS 43 16.896 31.699 -36.620 330 HE3 LYS 43 HE3 LYS 43 16.296 32.285 -38.171 331 HZ1 LYS 43 HZ1 LYS 43 14.394 33.253 -36.998 332 HZ2 LYS 43 HZ2 LYS 43 15.861 33.893 -36.452 333 HZ3 LYS 43 HZ3 LYS 43 15.041 32.745 -35.519 334 H THR 44 H THR 44 13.520 28.210 -37.983 335 HA THR 44 HA THR 44 15.447 26.580 -36.458 336 HB THR 44 HB THR 44 14.941 28.862 -35.495 337 HG1 THR 44 HG1 THR 44 15.495 26.779 -34.299 338 HG21 THR 44 HG21 THR 44 12.519 28.833 -36.107 339 HG22 THR 44 HG22 THR 44 12.826 29.236 -34.418 340 HG23 THR 44 HG23 THR 44 12.266 27.621 -34.851 341 H LYS 45 H LYS 45 12.126 27.002 -37.471 342 HA LYS 45 HA LYS 45 11.501 24.295 -37.450 343 HB2 LYS 45 HB2 LYS 45 11.584 24.202 -35.097 344 HB3 LYS 45 HB3 LYS 45 10.782 25.757 -34.921 345 HG2 LYS 45 HG2 LYS 45 8.694 24.790 -35.704 346 HG3 LYS 45 HG3 LYS 45 9.491 23.233 -35.940 347 HD2 LYS 45 HD2 LYS 45 10.134 23.715 -33.365 348 HD3 LYS 45 HD3 LYS 45 8.579 24.546 -33.459 349 HE2 LYS 45 HE2 LYS 45 7.918 22.271 -34.694 350 HE3 LYS 45 HE3 LYS 45 9.216 21.659 -33.669 351 HZ1 LYS 45 HZ1 LYS 45 6.645 22.859 -32.880 352 HZ2 LYS 45 HZ2 LYS 45 7.961 22.917 -31.821 353 HZ3 LYS 45 HZ3 LYS 45 7.362 21.424 -32.344 354 H GLN 46 H GLN 46 10.384 27.594 -37.114 355 HA GLN 46 HA GLN 46 8.187 26.976 -38.960 356 HB2 GLN 46 HB2 GLN 46 6.719 28.536 -37.714 357 HB3 GLN 46 HB3 GLN 46 7.161 27.116 -36.776 358 HG2 GLN 46 HG2 GLN 46 7.800 28.467 -35.150 359 HG3 GLN 46 HG3 GLN 46 9.111 29.021 -36.190 360 HE21 GLN 46 HE21 GLN 46 5.597 29.525 -36.099 361 HE22 GLN 46 HE22 GLN 46 5.672 31.250 -36.150 362 H ALA 47 H ALA 47 7.473 28.766 -40.241 363 HA ALA 47 HA ALA 47 8.609 31.334 -40.150 364 HB1 ALA 47 HB1 ALA 47 9.943 29.422 -42.059 365 HB2 ALA 47 HB2 ALA 47 10.092 31.178 -42.145 366 HB3 ALA 47 HB3 ALA 47 10.694 30.310 -40.733 367 H ARG 48 H ARG 48 8.314 29.394 -43.091 368 HA ARG 48 HA ARG 48 5.843 30.867 -43.732 369 HB2 ARG 48 HB2 ARG 48 7.982 31.502 -45.016 370 HB3 ARG 48 HB3 ARG 48 7.815 29.941 -45.808 371 HG2 ARG 48 HG2 ARG 48 6.834 31.566 -47.226 372 HG3 ARG 48 HG3 ARG 48 5.516 30.639 -46.505 373 HD2 ARG 48 HD2 ARG 48 5.108 32.403 -44.901 374 HD3 ARG 48 HD3 ARG 48 6.495 33.309 -45.502 375 HE ARG 48 HE ARG 48 3.873 33.221 -46.639 376 HH11 ARG 48 HH11 ARG 48 7.252 33.636 -47.363 377 HH12 ARG 48 HH12 ARG 48 6.965 34.566 -48.796 378 HH21 ARG 48 HH21 ARG 48 3.481 34.445 -48.523 379 HH22 ARG 48 HH22 ARG 48 4.819 35.026 -49.455 380 H CYS 49 H CYS 49 4.150 29.568 -43.888 381 HA CYS 49 HA CYS 49 4.421 26.988 -45.220 382 HB2 CYS 49 HB2 CYS 49 3.013 27.170 -42.559 383 HB3 CYS 49 HB3 CYS 49 3.422 25.721 -43.471 384 H TRP 50 H TRP 50 2.047 25.934 -45.141 385 HA TRP 50 HA TRP 50 0.272 28.036 -46.173 386 HB2 TRP 50 HB2 TRP 50 -0.922 26.053 -47.249 387 HB3 TRP 50 HB3 TRP 50 0.681 26.439 -47.869 388 HD1 TRP 50 HD1 TRP 50 -1.260 23.712 -46.098 389 HE1 TRP 50 HE1 TRP 50 0.225 21.621 -45.882 390 HE3 TRP 50 HE3 TRP 50 3.196 25.723 -47.593 391 HZ2 TRP 50 HZ2 TRP 50 2.927 20.917 -46.290 392 HZ3 TRP 50 HZ3 TRP 50 5.184 24.273 -47.651 393 HH2 TRP 50 HH2 TRP 50 5.050 21.920 -47.013 394 H LYS 51 H LYS 51 -1.600 28.485 -45.195 395 HA LYS 51 HA LYS 51 -2.224 27.295 -42.680 396 HB2 LYS 51 HB2 LYS 51 -4.041 29.078 -44.297 397 HB3 LYS 51 HB3 LYS 51 -4.008 28.868 -42.551 398 HG2 LYS 51 HG2 LYS 51 -1.450 29.734 -43.189 399 HG3 LYS 51 HG3 LYS 51 -2.516 30.690 -44.221 400 HD2 LYS 51 HD2 LYS 51 -3.738 31.499 -42.347 401 HD3 LYS 51 HD3 LYS 51 -2.957 30.348 -41.261 402 HE2 LYS 51 HE2 LYS 51 -0.775 31.572 -42.116 403 HE3 LYS 51 HE3 LYS 51 -1.915 32.880 -42.427 404 HZ1 LYS 51 HZ1 LYS 51 -2.013 33.350 -40.275 405 HZ2 LYS 51 HZ2 LYS 51 -0.721 32.286 -40.032 406 HZ3 LYS 51 HZ3 LYS 51 -2.312 31.740 -39.849 407 H GLU 52 H GLU 52 -3.740 25.808 -42.141 408 HA GLU 52 HA GLU 52 -4.648 23.992 -44.090 409 HB2 GLU 52 HB2 GLU 52 -5.887 24.282 -41.363 410 HB3 GLU 52 HB3 GLU 52 -5.696 22.824 -42.326 411 HG2 GLU 52 HG2 GLU 52 -3.904 22.393 -41.097 412 HG3 GLU 52 HG3 GLU 52 -3.107 23.703 -41.966 413 H LYS 53 H LYS 53 -5.966 26.937 -42.900 414 HA LYS 53 HA LYS 53 -8.693 26.402 -43.609 415 HB2 LYS 53 HB2 LYS 53 -9.047 28.792 -43.182 416 HB3 LYS 53 HB3 LYS 53 -8.151 28.033 -41.873 417 HG2 LYS 53 HG2 LYS 53 -6.055 28.885 -43.088 418 HG3 LYS 53 HG3 LYS 53 -7.171 29.934 -43.967 419 HD2 LYS 53 HD2 LYS 53 -8.020 30.435 -41.495 420 HD3 LYS 53 HD3 LYS 53 -6.358 29.980 -41.111 421 HE2 LYS 53 HE2 LYS 53 -5.720 31.625 -42.997 422 HE3 LYS 53 HE3 LYS 53 -7.357 32.247 -42.798 423 HZ1 LYS 53 HZ1 LYS 53 -5.078 32.767 -41.232 424 HZ2 LYS 53 HZ2 LYS 53 -6.246 32.025 -40.260 425 HZ3 LYS 53 HZ3 LYS 53 -6.624 33.442 -41.103 426 H GLU 54 H GLU 54 -5.949 28.009 -45.137 427 HA GLU 54 HA GLU 54 -7.568 28.612 -47.495 428 HB2 GLU 54 HB2 GLU 54 -4.762 29.387 -46.699 429 HB3 GLU 54 HB3 GLU 54 -5.452 29.759 -48.273 430 HG2 GLU 54 HG2 GLU 54 -7.361 30.690 -46.535 431 HG3 GLU 54 HG3 GLU 54 -5.851 31.056 -45.702 432 H PHE 55 H PHE 55 -5.624 26.154 -46.329 433 HA PHE 55 HA PHE 55 -5.360 25.028 -49.020 434 HB2 PHE 55 HB2 PHE 55 -3.157 25.640 -47.131 435 HB3 PHE 55 HB3 PHE 55 -3.079 24.082 -47.947 436 HD1 PHE 55 HD2 PHE 55 -3.678 27.681 -48.719 437 HD2 PHE 55 HD1 PHE 55 -2.018 23.970 -49.979 438 HE1 PHE 55 HE2 PHE 55 -2.747 28.779 -50.713 439 HE2 PHE 55 HE1 PHE 55 -1.083 25.062 -51.976 440 HZ PHE 55 HZ PHE 55 -1.448 27.470 -52.346 441 HA PRO 56 HA PRO 56 -7.292 21.752 -46.654 442 HB2 PRO 56 HB2 PRO 56 -7.805 20.173 -48.802 443 HB3 PRO 56 HB3 PRO 56 -8.793 21.578 -48.385 444 HG2 PRO 56 HG2 PRO 56 -6.614 21.333 -50.423 445 HG3 PRO 56 HG3 PRO 56 -8.188 22.139 -50.559 446 HD2 PRO 56 HD2 PRO 56 -5.891 23.495 -50.089 447 HD3 PRO 56 HD3 PRO 56 -7.460 24.022 -49.446 448 H ASN 57 H ASN 57 -4.611 21.495 -48.888 449 HA ASN 57 HA ASN 57 -3.932 18.806 -48.494 450 HB2 ASN 57 HB2 ASN 57 -2.829 21.050 -49.833 451 HB3 ASN 57 HB3 ASN 57 -1.557 20.375 -48.819 452 HD21 ASN 57 HD21 ASN 57 -1.758 17.799 -48.882 453 HD22 ASN 57 HD22 ASN 57 -1.725 17.160 -50.487 454 H ALA 58 H ALA 58 -3.228 21.684 -46.613 455 HA ALA 58 HA ALA 58 -1.206 20.735 -44.963 456 HB1 ALA 58 HB1 ALA 58 -2.825 23.015 -45.086 457 HB2 ALA 58 HB2 ALA 58 -3.032 22.367 -43.458 458 HB3 ALA 58 HB3 ALA 58 -1.418 22.751 -44.056 459 H LYS 59 H LYS 59 -4.728 20.570 -44.472 460 HA LYS 59 HA LYS 59 -4.582 19.146 -42.027 461 HB2 LYS 59 HB2 LYS 59 -6.568 20.429 -43.343 462 HB3 LYS 59 HB3 LYS 59 -6.975 18.761 -43.724 463 HG2 LYS 59 HG2 LYS 59 -6.665 19.951 -40.976 464 HG3 LYS 59 HG3 LYS 59 -8.172 19.472 -41.759 465 HD2 LYS 59 HD2 LYS 59 -5.900 17.626 -41.022 466 HD3 LYS 59 HD3 LYS 59 -7.422 17.790 -40.144 467 HE2 LYS 59 HE2 LYS 59 -8.076 17.325 -42.849 468 HE3 LYS 59 HE3 LYS 59 -6.814 16.170 -42.423 469 HZ1 LYS 59 HZ1 LYS 59 -8.724 16.332 -40.347 470 HZ2 LYS 59 HZ2 LYS 59 -8.275 14.991 -41.275 471 HZ3 LYS 59 HZ3 LYS 59 -9.509 16.017 -41.812 472 H GLU 60 H GLU 60 -5.027 18.125 -45.390 473 HA GLU 60 HA GLU 60 -5.476 15.406 -44.917 474 HB2 GLU 60 HB2 GLU 60 -4.486 17.002 -47.235 475 HB3 GLU 60 HB3 GLU 60 -4.308 15.254 -47.292 476 HG2 GLU 60 HG2 GLU 60 -6.880 16.777 -46.948 477 HG3 GLU 60 HG3 GLU 60 -6.343 15.931 -48.398 478 H LEU 61 H LEU 61 -2.450 17.176 -45.455 479 HA LEU 61 HA LEU 61 -0.769 14.897 -45.337 480 HB2 LEU 61 HB2 LEU 61 -0.095 17.777 -44.757 481 HB3 LEU 61 HB3 LEU 61 1.057 16.489 -45.101 482 HG LEU 61 HG LEU 61 -1.010 17.086 -47.153 483 HD11 LEU 61 HD11 LEU 61 1.230 18.704 -47.724 484 HD12 LEU 61 HD12 LEU 61 0.699 19.107 -46.092 485 HD13 LEU 61 HD13 LEU 61 -0.437 19.206 -47.437 486 HD21 LEU 61 HD21 LEU 61 1.290 16.804 -48.463 487 HD22 LEU 61 HD22 LEU 61 0.327 15.425 -47.933 488 HD23 LEU 61 HD23 LEU 61 1.720 15.945 -46.984 489 H CYS 62 H CYS 62 -1.889 17.213 -42.923 490 HA CYS 62 HA CYS 62 -0.245 16.318 -40.806 491 HB2 CYS 62 HB2 CYS 62 -2.394 18.206 -41.174 492 HB3 CYS 62 HB3 CYS 62 -2.635 17.296 -39.687 493 H PHE 63 H PHE 63 -3.533 15.458 -41.806 494 HA PHE 63 HA PHE 63 -3.932 13.611 -39.659 495 HB2 PHE 63 HB2 PHE 63 -5.590 14.859 -41.448 496 HB3 PHE 63 HB3 PHE 63 -5.554 13.216 -42.078 497 HD1 PHE 63 HD1 PHE 63 -6.166 15.168 -38.982 498 HD2 PHE 63 HD2 PHE 63 -6.870 11.556 -41.121 499 HE1 PHE 63 HE1 PHE 63 -7.812 14.487 -37.284 500 HE2 PHE 63 HE2 PHE 63 -8.518 10.870 -39.428 501 HZ PHE 63 HZ PHE 63 -8.991 12.337 -37.507 502 H ALA 64 H ALA 64 -2.822 13.385 -42.984 503 HA ALA 64 HA ALA 64 -2.810 10.508 -43.014 504 HB1 ALA 64 HB1 ALA 64 -1.663 12.553 -44.906 505 HB2 ALA 64 HB2 ALA 64 -1.592 10.811 -45.174 506 HB3 ALA 64 HB3 ALA 64 -3.153 11.628 -45.095 507 H ASN 65 H ASN 65 -0.701 12.959 -41.902 508 HA ASN 65 HA ASN 65 1.825 11.936 -42.263 509 HB2 ASN 65 HB2 ASN 65 1.714 14.039 -41.232 510 HB3 ASN 65 HB3 ASN 65 0.588 13.480 -39.999 511 HD21 ASN 65 HD21 ASN 65 1.353 12.617 -38.144 512 HD22 ASN 65 HD22 ASN 65 3.032 12.493 -37.756 513 H CYS 66 H CYS 66 2.286 9.826 -42.062 514 HA CYS 66 HA CYS 66 2.232 8.658 -39.418 515 HB2 CYS 66 HB2 CYS 66 0.291 7.917 -41.484 516 HB3 CYS 66 HB3 CYS 66 1.191 6.544 -40.848 517 HA PRO 67 HA PRO 67 5.868 6.623 -40.787 518 HB2 PRO 67 HB2 PRO 67 5.728 4.233 -39.507 519 HB3 PRO 67 HB3 PRO 67 6.068 5.752 -38.670 520 HG2 PRO 67 HG2 PRO 67 3.487 4.254 -38.900 521 HG3 PRO 67 HG3 PRO 67 4.199 5.045 -37.482 522 HD2 PRO 67 HD2 PRO 67 2.230 6.184 -38.951 523 HD3 PRO 67 HD3 PRO 67 3.486 7.138 -38.135 524 HA PRO 68 HA PRO 68 5.189 3.923 -44.191 525 HB2 PRO 68 HB2 PRO 68 7.380 2.322 -44.129 526 HB3 PRO 68 HB3 PRO 68 7.446 4.022 -44.607 527 HG2 PRO 68 HG2 PRO 68 8.120 2.767 -41.974 528 HG3 PRO 68 HG3 PRO 68 8.988 4.030 -42.866 529 HD2 PRO 68 HD2 PRO 68 7.357 4.581 -40.776 530 HD3 PRO 68 HD3 PRO 68 7.565 5.694 -42.144 531 H LEU 69 H LEU 69 4.179 2.037 -44.683 532 HA LEU 69 HA LEU 69 3.837 0.108 -42.493 533 HB2 LEU 69 HB2 LEU 69 2.128 0.370 -44.954 534 HB3 LEU 69 HB3 LEU 69 1.761 -0.509 -43.471 535 HG LEU 69 HG LEU 69 1.975 1.963 -42.463 536 HD11 LEU 69 HD11 LEU 69 0.822 3.509 -44.039 537 HD12 LEU 69 HD12 LEU 69 1.091 2.327 -45.319 538 HD13 LEU 69 HD13 LEU 69 2.466 3.084 -44.515 539 HD21 LEU 69 HD21 LEU 69 0.054 0.231 -42.506 540 HD22 LEU 69 HD22 LEU 69 -0.573 1.203 -43.837 541 HD23 LEU 69 HD23 LEU 69 -0.333 1.932 -42.249 542 H GLU 70 H GLU 70 6.107 0.202 -44.386 543 HA GLU 70 HA GLU 70 5.739 -2.051 -46.153 544 HB2 GLU 70 HB2 GLU 70 8.038 -1.694 -46.801 545 HB3 GLU 70 HB3 GLU 70 7.211 -0.144 -46.741 546 HG2 GLU 70 HG2 GLU 70 9.129 0.420 -45.676 547 HG3 GLU 70 HG3 GLU 70 8.184 -0.118 -44.289 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -6.449 -13.069 -29.408 2 HA2 GLY 1 HA2 GLY 1 -7.762 -10.701 -29.537 3 HA3 GLY 1 HA3 GLY 1 -7.310 -10.803 -27.842 4 HA PRO 2 HA PRO 2 -3.834 -9.024 -30.515 5 HB2 PRO 2 HB2 PRO 2 -3.899 -6.497 -29.526 6 HB3 PRO 2 HB3 PRO 2 -4.845 -7.003 -30.931 7 HG2 PRO 2 HG2 PRO 2 -5.704 -6.698 -28.079 8 HG3 PRO 2 HG3 PRO 2 -6.548 -6.210 -29.560 9 HD2 PRO 2 HD2 PRO 2 -7.174 -8.469 -28.205 10 HD3 PRO 2 HD3 PRO 2 -7.328 -8.340 -29.969 11 H GLU 3 H GLU 3 -2.003 -7.507 -29.459 12 HA GLU 3 HA GLU 3 -1.039 -9.012 -27.203 13 HB2 GLU 3 HB2 GLU 3 0.219 -7.851 -29.282 14 HB3 GLU 3 HB3 GLU 3 0.408 -6.579 -28.083 15 HG2 GLU 3 HG2 GLU 3 1.175 -8.646 -26.596 16 HG3 GLU 3 HG3 GLU 3 1.593 -9.285 -28.184 17 H LYS 4 H LYS 4 -1.810 -8.572 -25.244 18 HA LYS 4 HA LYS 4 -2.507 -5.829 -24.528 19 HB2 LYS 4 HB2 LYS 4 -3.033 -8.509 -23.266 20 HB3 LYS 4 HB3 LYS 4 -3.303 -7.014 -22.380 21 HG2 LYS 4 HG2 LYS 4 -4.913 -6.285 -24.032 22 HG3 LYS 4 HG3 LYS 4 -4.597 -7.723 -25.006 23 HD2 LYS 4 HD2 LYS 4 -5.404 -9.131 -23.158 24 HD3 LYS 4 HD3 LYS 4 -5.750 -7.679 -22.216 25 HE2 LYS 4 HE2 LYS 4 -7.799 -8.389 -23.195 26 HE3 LYS 4 HE3 LYS 4 -7.272 -6.954 -24.073 27 HZ1 LYS 4 HZ1 LYS 4 -6.827 -8.145 -25.943 28 HZ2 LYS 4 HZ2 LYS 4 -8.081 -9.095 -25.322 29 HZ3 LYS 4 HZ3 LYS 4 -6.472 -9.573 -25.108 30 H MET 5 H MET 5 -0.748 -4.680 -23.967 31 HA MET 5 HA MET 5 0.772 -5.598 -21.655 32 HB2 MET 5 HB2 MET 5 1.823 -5.758 -24.262 33 HB3 MET 5 HB3 MET 5 2.595 -4.366 -23.514 34 HG2 MET 5 HG2 MET 5 3.585 -5.643 -21.855 35 HG3 MET 5 HG3 MET 5 2.451 -6.974 -22.067 36 HE1 MET 5 HE1 MET 5 3.129 -8.841 -22.551 37 HE2 MET 5 HE2 MET 5 3.916 -9.376 -24.036 38 HE3 MET 5 HE3 MET 5 4.880 -9.048 -22.595 39 H GLU 6 H GLU 6 0.379 -2.990 -24.043 40 HA GLU 6 HA GLU 6 0.625 -1.060 -21.829 41 HB2 GLU 6 HB2 GLU 6 1.442 -0.744 -24.721 42 HB3 GLU 6 HB3 GLU 6 1.421 0.568 -23.551 43 HG2 GLU 6 HG2 GLU 6 2.975 -1.900 -22.947 44 HG3 GLU 6 HG3 GLU 6 3.629 -0.714 -24.075 45 H VAL 7 H VAL 7 -1.791 -2.374 -22.718 46 HA VAL 7 HA VAL 7 -3.275 -0.041 -23.745 47 HB VAL 7 HB VAL 7 -3.288 -1.869 -25.373 48 HG11 VAL 7 HG11 VAL 7 -3.412 -3.513 -23.143 49 HG12 VAL 7 HG12 VAL 7 -4.995 -3.689 -23.904 50 HG13 VAL 7 HG13 VAL 7 -3.528 -4.015 -24.829 51 HG21 VAL 7 HG21 VAL 7 -5.307 -0.358 -24.885 52 HG22 VAL 7 HG22 VAL 7 -5.573 -1.810 -25.850 53 HG23 VAL 7 HG23 VAL 7 -6.023 -1.790 -24.145 54 H LYS 8 H LYS 8 -5.057 0.614 -22.650 55 HA LYS 8 HA LYS 8 -6.572 -0.941 -20.874 56 HB2 LYS 8 HB2 LYS 8 -4.132 0.186 -19.764 57 HB3 LYS 8 HB3 LYS 8 -5.561 0.766 -18.918 58 HG2 LYS 8 HG2 LYS 8 -5.500 -2.126 -19.438 59 HG3 LYS 8 HG3 LYS 8 -4.266 -1.525 -18.328 60 HD2 LYS 8 HD2 LYS 8 -5.880 -0.658 -16.844 61 HD3 LYS 8 HD3 LYS 8 -7.171 -0.803 -18.039 62 HE2 LYS 8 HE2 LYS 8 -7.090 -3.208 -17.898 63 HE3 LYS 8 HE3 LYS 8 -5.687 -3.135 -16.832 64 HZ1 LYS 8 HZ1 LYS 8 -8.483 -2.387 -16.241 65 HZ2 LYS 8 HZ2 LYS 8 -7.203 -1.815 -15.295 66 HZ3 LYS 8 HZ3 LYS 8 -7.486 -3.479 -15.418 67 H GLU 9 H GLU 9 -7.721 0.705 -19.200 68 HA GLU 9 HA GLU 9 -8.364 3.148 -20.713 69 HB2 GLU 9 HB2 GLU 9 -10.129 0.964 -19.832 70 HB3 GLU 9 HB3 GLU 9 -10.712 2.576 -19.440 71 HG2 GLU 9 HG2 GLU 9 -10.460 3.206 -21.813 72 HG3 GLU 9 HG3 GLU 9 -9.989 1.546 -22.173 73 H ILE 10 H ILE 10 -6.698 2.449 -18.262 74 HA ILE 10 HA ILE 10 -8.094 4.015 -16.219 75 HB ILE 10 HB ILE 10 -5.421 2.654 -15.929 76 HG12 ILE 10 HG12 ILE 10 -7.110 0.995 -16.601 77 HG13 ILE 10 HG13 ILE 10 -6.614 0.762 -14.929 78 HG21 ILE 10 HG21 ILE 10 -6.873 2.694 -13.528 79 HG22 ILE 10 HG22 ILE 10 -5.443 3.638 -13.940 80 HG23 ILE 10 HG23 ILE 10 -7.051 4.298 -14.239 81 HD11 ILE 10 HD11 ILE 10 -9.002 0.480 -15.165 82 HD12 ILE 10 HD12 ILE 10 -8.647 1.900 -14.181 83 HD13 ILE 10 HD13 ILE 10 -9.145 2.093 -15.862 84 H GLY 11 H GLY 11 -7.606 5.728 -18.107 85 HA2 GLY 11 HA2 GLY 11 -6.487 7.642 -18.716 86 HA3 GLY 11 HA3 GLY 11 -6.045 7.723 -17.017 87 H ARG 12 H ARG 12 -5.051 5.105 -19.116 88 HA ARG 12 HA ARG 12 -2.316 6.196 -19.124 89 HB2 ARG 12 HB2 ARG 12 -3.260 3.435 -18.404 90 HB3 ARG 12 HB3 ARG 12 -1.626 3.705 -18.997 91 HG2 ARG 12 HG2 ARG 12 -1.343 5.377 -17.142 92 HG3 ARG 12 HG3 ARG 12 -2.883 4.804 -16.499 93 HD2 ARG 12 HD2 ARG 12 -0.669 2.885 -17.124 94 HD3 ARG 12 HD3 ARG 12 -0.685 3.777 -15.603 95 HE ARG 12 HE ARG 12 -3.186 2.535 -16.028 96 HH11 ARG 12 HH11 ARG 12 0.111 1.807 -15.182 97 HH12 ARG 12 HH12 ARG 12 -0.298 0.393 -14.267 98 HH21 ARG 12 HH21 ARG 12 -3.738 0.676 -14.827 99 HH22 ARG 12 HH22 ARG 12 -2.488 -0.249 -14.067 100 H SER 13 H SER 13 -3.289 6.911 -21.276 101 HA SER 13 HA SER 13 -3.720 4.973 -23.312 102 HB2 SER 13 HB2 SER 13 -2.842 7.623 -24.221 103 HB3 SER 13 HB3 SER 13 -4.330 6.746 -24.574 104 HG SER 13 HG SER 13 -3.994 8.778 -22.915 105 H SER 14 H SER 14 -2.339 5.346 -25.451 106 HA SER 14 HA SER 14 0.422 4.723 -24.683 107 HB2 SER 14 HB2 SER 14 -1.296 4.001 -27.034 108 HB3 SER 14 HB3 SER 14 0.460 3.949 -27.186 109 HG SER 14 HG SER 14 0.527 2.249 -25.927 110 H LYS 15 H LYS 15 -0.426 7.437 -24.706 111 HA LYS 15 HA LYS 15 0.303 8.747 -27.114 112 HB2 LYS 15 HB2 LYS 15 0.082 10.766 -25.917 113 HB3 LYS 15 HB3 LYS 15 -1.096 9.678 -25.196 114 HG2 LYS 15 HG2 LYS 15 1.641 10.002 -24.024 115 HG3 LYS 15 HG3 LYS 15 0.333 11.124 -23.642 116 HD2 LYS 15 HD2 LYS 15 -0.194 9.677 -22.015 117 HD3 LYS 15 HD3 LYS 15 -0.864 8.678 -23.308 118 HE2 LYS 15 HE2 LYS 15 0.848 7.195 -23.230 119 HE3 LYS 15 HE3 LYS 15 2.040 8.429 -22.823 120 HZ1 LYS 15 HZ1 LYS 15 1.589 8.264 -20.599 121 HZ2 LYS 15 HZ2 LYS 15 1.333 6.661 -21.074 122 HZ3 LYS 15 HZ3 LYS 15 0.014 7.691 -20.830 123 H ILE 16 H ILE 16 2.203 9.757 -27.711 124 HA ILE 16 HA ILE 16 4.495 9.914 -26.037 125 HB ILE 16 HB ILE 16 5.744 8.334 -27.843 126 HG12 ILE 16 HG12 ILE 16 3.135 6.924 -27.257 127 HG13 ILE 16 HG13 ILE 16 3.505 7.691 -28.797 128 HG21 ILE 16 HG21 ILE 16 6.423 7.546 -25.884 129 HG22 ILE 16 HG22 ILE 16 4.999 8.214 -25.088 130 HG23 ILE 16 HG23 ILE 16 4.943 6.593 -25.780 131 HD11 ILE 16 HD11 ILE 16 4.219 5.655 -29.372 132 HD12 ILE 16 HD12 ILE 16 5.669 6.093 -28.468 133 HD13 ILE 16 HD13 ILE 16 4.405 5.136 -27.697 134 H ILE 17 H ILE 17 6.500 10.462 -27.402 135 HA ILE 17 HA ILE 17 5.632 12.164 -29.644 136 HB ILE 17 HB ILE 17 7.616 13.550 -29.184 137 HG12 ILE 17 HG12 ILE 17 8.718 11.471 -27.964 138 HG13 ILE 17 HG13 ILE 17 9.147 13.120 -27.521 139 HG21 ILE 17 HG21 ILE 17 5.683 13.119 -26.919 140 HG22 ILE 17 HG22 ILE 17 6.811 14.471 -26.986 141 HG23 ILE 17 HG23 ILE 17 5.574 14.293 -28.230 142 HD11 ILE 17 HD11 ILE 17 8.571 11.334 -25.701 143 HD12 ILE 17 HD12 ILE 17 8.050 13.009 -25.521 144 HD13 ILE 17 HD13 ILE 17 6.911 11.787 -26.086 145 H LEU 18 H LEU 18 7.337 12.572 -31.305 146 HA LEU 18 HA LEU 18 9.215 10.355 -31.645 147 HB2 LEU 18 HB2 LEU 18 7.240 9.638 -32.823 148 HB3 LEU 18 HB3 LEU 18 7.135 11.186 -33.661 149 HG LEU 18 HG LEU 18 8.057 9.076 -34.888 150 HD11 LEU 18 HD11 LEU 18 9.898 11.305 -35.360 151 HD12 LEU 18 HD12 LEU 18 8.194 11.755 -35.331 152 HD13 LEU 18 HD13 LEU 18 8.759 10.517 -36.452 153 HD21 LEU 18 HD21 LEU 18 10.226 8.459 -34.550 154 HD22 LEU 18 HD22 LEU 18 9.798 8.921 -32.903 155 HD23 LEU 18 HD23 LEU 18 10.698 10.040 -33.928 156 HA PRO 19 HA PRO 19 11.543 14.070 -32.648 157 HB2 PRO 19 HB2 PRO 19 13.964 12.845 -32.572 158 HB3 PRO 19 HB3 PRO 19 13.101 13.358 -31.117 159 HG2 PRO 19 HG2 PRO 19 13.272 10.640 -32.359 160 HG3 PRO 19 HG3 PRO 19 13.377 11.097 -30.649 161 HD2 PRO 19 HD2 PRO 19 11.117 10.093 -31.753 162 HD3 PRO 19 HD3 PRO 19 11.089 11.272 -30.426 163 H ALA 20 H ALA 20 12.430 14.835 -34.525 164 HA ALA 20 HA ALA 20 13.617 13.304 -36.547 165 HB1 ALA 20 HB1 ALA 20 11.842 12.309 -37.463 166 HB2 ALA 20 HB2 ALA 20 10.705 13.334 -36.587 167 HB3 ALA 20 HB3 ALA 20 11.426 13.903 -38.093 168 H CYS 21 H CYS 21 11.143 15.849 -36.832 169 HA CYS 21 HA CYS 21 13.244 17.637 -37.868 170 HB2 CYS 21 HB2 CYS 21 11.744 17.276 -39.643 171 HB3 CYS 21 HB3 CYS 21 10.338 17.338 -38.585 172 H MET 22 H MET 22 10.514 17.326 -35.699 173 HA MET 22 HA MET 22 11.461 19.542 -34.126 174 HB2 MET 22 HB2 MET 22 9.641 20.167 -36.107 175 HB3 MET 22 HB3 MET 22 8.623 19.955 -34.689 176 HG2 MET 22 HG2 MET 22 10.536 21.484 -33.619 177 HG3 MET 22 HG3 MET 22 10.634 22.027 -35.293 178 HE1 MET 22 HE1 MET 22 8.957 24.534 -32.937 179 HE2 MET 22 HE2 MET 22 10.410 24.028 -33.800 180 HE3 MET 22 HE3 MET 22 9.135 24.899 -34.654 181 H HIS 23 H HIS 23 9.233 19.989 -32.561 182 HA HIS 23 HA HIS 23 9.105 17.490 -31.094 183 HB2 HIS 23 HB2 HIS 23 8.378 20.336 -30.500 184 HB3 HIS 23 HB3 HIS 23 7.718 19.044 -29.503 185 HD1 HIS 23 HD1 HIS 23 9.076 19.908 -27.464 186 HD2 HIS 23 HD2 HIS 23 11.401 18.679 -30.680 187 HE1 HIS 23 HE1 HIS 23 11.418 19.717 -26.566 188 H GLU 24 H GLU 24 7.650 16.059 -31.803 189 HA GLU 24 HA GLU 24 4.911 17.025 -32.305 190 HB2 GLU 24 HB2 GLU 24 4.701 15.063 -33.879 191 HB3 GLU 24 HB3 GLU 24 5.762 16.356 -34.421 192 HG2 GLU 24 HG2 GLU 24 7.344 14.522 -32.968 193 HG3 GLU 24 HG3 GLU 24 6.338 13.595 -34.080 194 H THR 25 H THR 25 3.246 15.287 -32.020 195 HA THR 25 HA THR 25 3.976 13.184 -30.141 196 HB THR 25 HB THR 25 1.706 15.008 -29.394 197 HG1 THR 25 HG1 THR 25 3.382 15.833 -27.831 198 HG21 THR 25 HG21 THR 25 1.644 12.921 -28.264 199 HG22 THR 25 HG22 THR 25 2.307 14.083 -27.114 200 HG23 THR 25 HG23 THR 25 3.379 12.960 -27.951 201 H CYS 26 H CYS 26 2.148 11.704 -29.703 202 HA CYS 26 HA CYS 26 -0.119 11.830 -31.495 203 HB2 CYS 26 HB2 CYS 26 1.782 10.832 -32.837 204 HB3 CYS 26 HB3 CYS 26 1.759 9.475 -31.716 205 H SER 27 H SER 27 -1.821 10.540 -30.847 206 HA SER 27 HA SER 27 -1.545 8.462 -28.911 207 HB2 SER 27 HB2 SER 27 -1.257 10.532 -27.505 208 HB3 SER 27 HB3 SER 27 -2.903 10.986 -27.946 209 HG SER 27 HG SER 27 -3.684 9.432 -26.708 210 H GLY 28 H GLY 28 -3.033 7.059 -29.551 211 HA2 GLY 28 HA2 GLY 28 -5.701 8.085 -30.278 212 HA3 GLY 28 HA3 GLY 28 -4.886 6.910 -31.298 213 H GLY 29 H GLY 29 -5.874 7.368 -27.902 214 HA2 GLY 29 HA2 GLY 29 -6.752 4.551 -27.912 215 HA3 GLY 29 HA3 GLY 29 -5.816 5.198 -26.572 216 H PHE 30 H PHE 30 -6.955 7.632 -26.142 217 HA PHE 30 HA PHE 30 -9.827 7.350 -25.963 218 HB2 PHE 30 HB2 PHE 30 -9.132 6.081 -24.003 219 HB3 PHE 30 HB3 PHE 30 -8.114 7.415 -23.471 220 HD1 PHE 30 HD1 PHE 30 -9.093 9.429 -22.528 221 HD2 PHE 30 HD2 PHE 30 -11.516 6.139 -23.720 222 HE1 PHE 30 HE1 PHE 30 -10.979 10.360 -21.251 223 HE2 PHE 30 HE2 PHE 30 -13.406 7.065 -22.446 224 HZ PHE 30 HZ PHE 30 -13.140 9.178 -21.210 225 H SER 31 H SER 31 -6.940 9.158 -25.017 226 HA SER 31 HA SER 31 -8.332 11.613 -24.576 227 HB2 SER 31 HB2 SER 31 -5.439 10.838 -24.809 228 HB3 SER 31 HB3 SER 31 -5.902 12.540 -24.783 229 HG SER 31 HG SER 31 -5.932 12.293 -22.701 230 H LEU 32 H LEU 32 -6.640 10.161 -27.293 231 HA LEU 32 HA LEU 32 -6.472 10.731 -29.488 232 HB2 LEU 32 HB2 LEU 32 -8.812 10.570 -29.604 233 HB3 LEU 32 HB3 LEU 32 -9.042 12.071 -28.711 234 HG LEU 32 HG LEU 32 -7.625 12.565 -31.171 235 HD11 LEU 32 HD11 LEU 32 -8.835 10.513 -31.880 236 HD12 LEU 32 HD12 LEU 32 -9.314 11.964 -32.760 237 HD13 LEU 32 HD13 LEU 32 -10.351 11.322 -31.486 238 HD21 LEU 32 HD21 LEU 32 -9.931 13.874 -31.429 239 HD22 LEU 32 HD22 LEU 32 -8.638 14.429 -30.365 240 HD23 LEU 32 HD23 LEU 32 -10.006 13.535 -29.700 241 H LYS 33 H LYS 33 -4.590 11.897 -29.506 242 HA LYS 33 HA LYS 33 -4.806 14.678 -30.128 243 HB2 LYS 33 HB2 LYS 33 -3.435 15.557 -28.325 244 HB3 LYS 33 HB3 LYS 33 -4.873 14.791 -27.663 245 HG2 LYS 33 HG2 LYS 33 -3.685 13.286 -26.524 246 HG3 LYS 33 HG3 LYS 33 -2.594 12.985 -27.879 247 HD2 LYS 33 HD2 LYS 33 -1.376 13.914 -25.988 248 HD3 LYS 33 HD3 LYS 33 -1.374 15.046 -27.342 249 HE2 LYS 33 HE2 LYS 33 -2.887 16.478 -26.304 250 HE3 LYS 33 HE3 LYS 33 -3.456 15.230 -25.196 251 HZ1 LYS 33 HZ1 LYS 33 -1.132 15.299 -24.235 252 HZ2 LYS 33 HZ2 LYS 33 -2.118 16.636 -23.917 253 HZ3 LYS 33 HZ3 LYS 33 -0.912 16.737 -25.099 254 H ASN 34 H ASN 34 -2.784 15.591 -30.858 255 HA ASN 34 HA ASN 34 -0.387 14.085 -30.960 256 HB2 ASN 34 HB2 ASN 34 -0.376 13.615 -33.399 257 HB3 ASN 34 HB3 ASN 34 -1.599 12.690 -32.533 258 HD21 ASN 34 HD21 ASN 34 -3.778 13.226 -32.787 259 HD22 ASN 34 HD22 ASN 34 -4.329 14.172 -34.124 260 H ASP 35 H ASP 35 1.278 15.409 -31.398 261 HA ASP 35 HA ASP 35 0.646 18.151 -32.176 262 HB2 ASP 35 HB2 ASP 35 2.698 16.856 -30.548 263 HB3 ASP 35 HB3 ASP 35 3.361 18.059 -31.650 264 H CYS 36 H CYS 36 0.955 18.865 -34.171 265 HA CYS 36 HA CYS 36 1.889 17.281 -36.272 266 HB2 CYS 36 HB2 CYS 36 0.831 19.912 -35.945 267 HB3 CYS 36 HB3 CYS 36 2.264 20.018 -36.963 268 H TRP 37 H TRP 37 3.659 18.597 -37.794 269 HA TRP 37 HA TRP 37 6.110 18.596 -36.158 270 HB2 TRP 37 HB2 TRP 37 7.121 18.099 -38.563 271 HB3 TRP 37 HB3 TRP 37 6.485 16.809 -37.546 272 HD1 TRP 37 HD1 TRP 37 4.918 15.220 -38.781 273 HE1 TRP 37 HE1 TRP 37 3.381 15.363 -40.840 274 HE3 TRP 37 HE3 TRP 37 5.584 20.152 -39.951 275 HZ2 TRP 37 HZ2 TRP 37 2.559 17.309 -42.713 276 HZ3 TRP 37 HZ3 TRP 37 4.386 21.076 -41.891 277 HH2 TRP 37 HH2 TRP 37 2.906 19.682 -43.243 278 H CYS 38 H CYS 38 7.930 19.649 -37.813 279 HA CYS 38 HA CYS 38 7.172 22.434 -37.871 280 HB2 CYS 38 HB2 CYS 38 9.548 22.803 -38.509 281 HB3 CYS 38 HB3 CYS 38 9.369 21.866 -37.029 282 H CYS 39 H CYS 39 6.986 23.746 -39.648 283 HA CYS 39 HA CYS 39 6.025 22.636 -42.030 284 HB2 CYS 39 HB2 CYS 39 6.912 25.381 -41.216 285 HB3 CYS 39 HB3 CYS 39 6.538 25.055 -42.905 286 H LEU 40 H LEU 40 7.110 23.740 -44.187 287 HA LEU 40 HA LEU 40 9.158 22.105 -44.957 288 HB2 LEU 40 HB2 LEU 40 7.703 23.851 -46.265 289 HB3 LEU 40 HB3 LEU 40 9.102 24.893 -46.017 290 HG LEU 40 HG LEU 40 9.231 23.895 -48.199 291 HD11 LEU 40 HD11 LEU 40 11.260 23.993 -46.495 292 HD12 LEU 40 HD12 LEU 40 11.430 23.326 -48.118 293 HD13 LEU 40 HD13 LEU 40 11.217 22.247 -46.740 294 HD21 LEU 40 HD21 LEU 40 7.838 21.967 -47.919 295 HD22 LEU 40 HD22 LEU 40 8.954 21.270 -46.744 296 HD23 LEU 40 HD23 LEU 40 9.435 21.425 -48.434 297 H ARG 41 H ARG 41 9.670 25.564 -44.240 298 HA ARG 41 HA ARG 41 12.036 24.959 -42.695 299 HB2 ARG 41 HB2 ARG 41 13.529 26.349 -44.096 300 HB3 ARG 41 HB3 ARG 41 12.977 24.900 -44.925 301 HG2 ARG 41 HG2 ARG 41 11.089 26.735 -45.656 302 HG3 ARG 41 HG3 ARG 41 12.558 27.710 -45.576 303 HD2 ARG 41 HD2 ARG 41 12.866 25.106 -46.899 304 HD3 ARG 41 HD3 ARG 41 11.794 26.236 -47.725 305 HE ARG 41 HE ARG 41 14.627 26.378 -47.578 306 HH11 ARG 41 HH11 ARG 41 11.754 28.343 -47.649 307 HH12 ARG 41 HH12 ARG 41 12.551 29.714 -48.347 308 HH21 ARG 41 HH21 ARG 41 15.688 28.176 -48.497 309 HH22 ARG 41 HH22 ARG 41 14.788 29.618 -48.830 310 H LEU 42 H LEU 42 11.763 26.208 -40.974 311 HA LEU 42 HA LEU 42 10.921 28.999 -41.387 312 HB2 LEU 42 HB2 LEU 42 9.883 28.791 -39.073 313 HB3 LEU 42 HB3 LEU 42 9.042 28.019 -40.415 314 HG LEU 42 HG LEU 42 10.895 26.264 -38.963 315 HD11 LEU 42 HD11 LEU 42 8.334 26.827 -37.557 316 HD12 LEU 42 HD12 LEU 42 9.717 27.880 -37.259 317 HD13 LEU 42 HD13 LEU 42 9.841 26.150 -36.937 318 HD21 LEU 42 HD21 LEU 42 8.726 26.033 -40.688 319 HD22 LEU 42 HD22 LEU 42 8.121 25.474 -39.129 320 HD23 LEU 42 HD23 LEU 42 9.552 24.725 -39.840 321 H LYS 43 H LYS 43 11.714 30.526 -39.836 322 HA LYS 43 HA LYS 43 14.199 29.638 -38.524 323 HB2 LYS 43 HB2 LYS 43 14.791 32.151 -38.752 324 HB3 LYS 43 HB3 LYS 43 14.912 31.119 -40.172 325 HG2 LYS 43 HG2 LYS 43 13.881 33.158 -40.830 326 HG3 LYS 43 HG3 LYS 43 12.644 31.899 -40.847 327 HD2 LYS 43 HD2 LYS 43 11.488 32.829 -39.136 328 HD3 LYS 43 HD3 LYS 43 12.947 33.389 -38.315 329 HE2 LYS 43 HE2 LYS 43 12.289 35.423 -38.995 330 HE3 LYS 43 HE3 LYS 43 12.959 34.936 -40.551 331 HZ1 LYS 43 HZ1 LYS 43 10.288 35.544 -39.900 332 HZ2 LYS 43 HZ2 LYS 43 10.369 33.937 -40.424 333 HZ3 LYS 43 HZ3 LYS 43 10.951 35.179 -41.414 334 H THR 44 H THR 44 11.111 30.956 -38.060 335 HA THR 44 HA THR 44 11.793 31.603 -35.272 336 HB THR 44 HB THR 44 11.428 33.691 -36.607 337 HG1 THR 44 HG1 THR 44 9.916 34.548 -35.047 338 HG21 THR 44 HG21 THR 44 9.263 34.257 -37.428 339 HG22 THR 44 HG22 THR 44 8.546 32.812 -36.714 340 HG23 THR 44 HG23 THR 44 9.655 32.665 -38.077 341 H LYS 45 H LYS 45 9.321 30.612 -37.586 342 HA LYS 45 HA LYS 45 8.245 28.599 -36.019 343 HB2 LYS 45 HB2 LYS 45 7.404 30.103 -34.424 344 HB3 LYS 45 HB3 LYS 45 6.927 31.274 -35.647 345 HG2 LYS 45 HG2 LYS 45 5.122 29.827 -36.370 346 HG3 LYS 45 HG3 LYS 45 5.624 28.593 -35.212 347 HD2 LYS 45 HD2 LYS 45 5.361 30.717 -33.569 348 HD3 LYS 45 HD3 LYS 45 4.145 31.110 -34.786 349 HE2 LYS 45 HE2 LYS 45 3.000 29.057 -34.418 350 HE3 LYS 45 HE3 LYS 45 4.315 28.428 -33.427 351 HZ1 LYS 45 HZ1 LYS 45 2.088 29.978 -32.640 352 HZ2 LYS 45 HZ2 LYS 45 3.512 30.804 -32.255 353 HZ3 LYS 45 HZ3 LYS 45 3.260 29.236 -31.672 354 H GLN 46 H GLN 46 7.705 31.063 -38.440 355 HA GLN 46 HA GLN 46 6.339 29.067 -40.093 356 HB2 GLN 46 HB2 GLN 46 4.702 30.741 -40.848 357 HB3 GLN 46 HB3 GLN 46 4.564 30.424 -39.123 358 HG2 GLN 46 HG2 GLN 46 4.662 32.606 -38.792 359 HG3 GLN 46 HG3 GLN 46 6.344 32.552 -39.317 360 HE21 GLN 46 HE21 GLN 46 3.181 32.357 -40.922 361 HE22 GLN 46 HE22 GLN 46 3.519 33.567 -42.108 362 H ALA 47 H ALA 47 6.376 29.571 -42.389 363 HA ALA 47 HA ALA 47 7.744 31.716 -43.533 364 HB1 ALA 47 HB1 ALA 47 9.829 31.214 -42.807 365 HB2 ALA 47 HB2 ALA 47 9.465 29.500 -42.599 366 HB3 ALA 47 HB3 ALA 47 9.797 30.142 -44.208 367 H ARG 48 H ARG 48 8.315 28.288 -44.247 368 HA ARG 48 HA ARG 48 6.655 28.601 -46.662 369 HB2 ARG 48 HB2 ARG 48 9.403 27.580 -46.310 370 HB3 ARG 48 HB3 ARG 48 8.369 26.611 -47.351 371 HG2 ARG 48 HG2 ARG 48 8.902 29.555 -47.689 372 HG3 ARG 48 HG3 ARG 48 9.679 28.260 -48.602 373 HD2 ARG 48 HD2 ARG 48 8.023 28.595 -50.077 374 HD3 ARG 48 HD3 ARG 48 7.049 27.660 -48.943 375 HE ARG 48 HE ARG 48 5.863 29.553 -48.486 376 HH11 ARG 48 HH11 ARG 48 8.908 30.463 -49.906 377 HH12 ARG 48 HH12 ARG 48 8.511 32.147 -49.997 378 HH21 ARG 48 HH21 ARG 48 5.328 31.767 -48.601 379 HH22 ARG 48 HH22 ARG 48 6.475 32.888 -49.254 380 H CYS 49 H CYS 49 4.940 27.320 -46.690 381 HA CYS 49 HA CYS 49 5.106 24.572 -45.823 382 HB2 CYS 49 HB2 CYS 49 4.349 26.411 -43.909 383 HB3 CYS 49 HB3 CYS 49 2.805 25.845 -44.538 384 H TRP 50 H TRP 50 2.680 23.664 -45.897 385 HA TRP 50 HA TRP 50 1.442 24.754 -48.339 386 HB2 TRP 50 HB2 TRP 50 0.779 22.312 -48.782 387 HB3 TRP 50 HB3 TRP 50 2.459 22.761 -49.066 388 HD1 TRP 50 HD1 TRP 50 0.347 20.353 -47.152 389 HE1 TRP 50 HE1 TRP 50 1.828 18.903 -45.625 390 HE3 TRP 50 HE3 TRP 50 4.720 22.974 -47.535 391 HZ2 TRP 50 HZ2 TRP 50 4.496 18.875 -44.705 392 HZ3 TRP 50 HZ3 TRP 50 6.689 22.169 -46.300 393 HH2 TRP 50 HH2 TRP 50 6.578 20.162 -44.914 394 H LYS 51 H LYS 51 -0.696 25.109 -48.272 395 HA LYS 51 HA LYS 51 -2.080 24.899 -45.790 396 HB2 LYS 51 HB2 LYS 51 -2.408 26.304 -48.217 397 HB3 LYS 51 HB3 LYS 51 -3.866 25.344 -48.000 398 HG2 LYS 51 HG2 LYS 51 -4.450 27.259 -46.904 399 HG3 LYS 51 HG3 LYS 51 -3.777 26.319 -45.570 400 HD2 LYS 51 HD2 LYS 51 -1.616 27.674 -46.758 401 HD3 LYS 51 HD3 LYS 51 -2.925 28.850 -46.622 402 HE2 LYS 51 HE2 LYS 51 -3.050 28.614 -44.300 403 HE3 LYS 51 HE3 LYS 51 -2.178 27.082 -44.318 404 HZ1 LYS 51 HZ1 LYS 51 -0.174 28.115 -44.470 405 HZ2 LYS 51 HZ2 LYS 51 -1.014 29.310 -43.617 406 HZ3 LYS 51 HZ3 LYS 51 -0.784 29.466 -45.286 407 H GLU 52 H GLU 52 -3.302 23.298 -45.028 408 HA GLU 52 HA GLU 52 -3.466 20.801 -46.312 409 HB2 GLU 52 HB2 GLU 52 -3.585 21.136 -43.854 410 HB3 GLU 52 HB3 GLU 52 -5.184 21.838 -44.051 411 HG2 GLU 52 HG2 GLU 52 -5.204 19.340 -45.363 412 HG3 GLU 52 HG3 GLU 52 -4.447 19.104 -43.788 413 H LYS 53 H LYS 53 -5.320 23.628 -46.678 414 HA LYS 53 HA LYS 53 -7.778 22.396 -47.476 415 HB2 LYS 53 HB2 LYS 53 -8.336 24.683 -48.323 416 HB3 LYS 53 HB3 LYS 53 -7.866 24.637 -46.629 417 HG2 LYS 53 HG2 LYS 53 -5.675 25.476 -47.162 418 HG3 LYS 53 HG3 LYS 53 -6.027 25.395 -48.890 419 HD2 LYS 53 HD2 LYS 53 -7.595 27.081 -46.945 420 HD3 LYS 53 HD3 LYS 53 -6.215 27.682 -47.867 421 HE2 LYS 53 HE2 LYS 53 -7.409 27.852 -49.756 422 HE3 LYS 53 HE3 LYS 53 -8.204 26.299 -49.500 423 HZ1 LYS 53 HZ1 LYS 53 -9.412 28.697 -49.314 424 HZ2 LYS 53 HZ2 LYS 53 -9.061 28.374 -47.692 425 HZ3 LYS 53 HZ3 LYS 53 -9.980 27.276 -48.593 426 H GLU 54 H GLU 54 -4.904 23.579 -49.129 427 HA GLU 54 HA GLU 54 -6.051 22.758 -51.704 428 HB2 GLU 54 HB2 GLU 54 -3.732 24.542 -50.985 429 HB3 GLU 54 HB3 GLU 54 -3.984 23.950 -52.621 430 HG2 GLU 54 HG2 GLU 54 -6.159 25.033 -52.696 431 HG3 GLU 54 HG3 GLU 54 -5.943 25.600 -51.041 432 H PHE 55 H PHE 55 -4.034 21.647 -49.277 433 HA PHE 55 HA PHE 55 -2.838 19.680 -51.108 434 HB2 PHE 55 HB2 PHE 55 -1.504 21.459 -49.167 435 HB3 PHE 55 HB3 PHE 55 -0.996 19.775 -49.108 436 HD1 PHE 55 HD2 PHE 55 -1.581 22.517 -51.562 437 HD2 PHE 55 HD1 PHE 55 0.687 19.072 -50.510 438 HE1 PHE 55 HE2 PHE 55 -0.109 22.899 -53.496 439 HE2 PHE 55 HE1 PHE 55 2.163 19.449 -52.442 440 HZ PHE 55 HZ PHE 55 1.765 21.364 -53.939 441 HA PRO 56 HA PRO 56 -5.076 17.071 -48.229 442 HB2 PRO 56 HB2 PRO 56 -4.684 14.780 -49.633 443 HB3 PRO 56 HB3 PRO 56 -5.905 15.980 -50.074 444 HG2 PRO 56 HG2 PRO 56 -3.170 15.553 -51.213 445 HG3 PRO 56 HG3 PRO 56 -4.694 15.885 -52.057 446 HD2 PRO 56 HD2 PRO 56 -2.841 17.803 -51.586 447 HD3 PRO 56 HD3 PRO 56 -4.582 18.148 -51.630 448 H ASN 57 H ASN 57 -1.819 16.600 -49.456 449 HA ASN 57 HA ASN 57 -1.018 14.468 -47.835 450 HB2 ASN 57 HB2 ASN 57 0.215 16.291 -49.645 451 HB3 ASN 57 HB3 ASN 57 1.182 16.252 -48.174 452 HD21 ASN 57 HD21 ASN 57 1.644 14.021 -47.336 453 HD22 ASN 57 HD22 ASN 57 2.044 12.815 -48.506 454 H ALA 58 H ALA 58 -1.203 17.916 -47.195 455 HA ALA 58 HA ALA 58 0.289 18.084 -44.861 456 HB1 ALA 58 HB1 ALA 58 -2.091 19.714 -44.698 457 HB2 ALA 58 HB2 ALA 58 -0.405 20.196 -44.890 458 HB3 ALA 58 HB3 ALA 58 -1.371 19.781 -46.306 459 H LYS 59 H LYS 59 -3.175 17.356 -45.227 460 HA LYS 59 HA LYS 59 -3.659 16.998 -42.458 461 HB2 LYS 59 HB2 LYS 59 -5.233 17.195 -44.686 462 HB3 LYS 59 HB3 LYS 59 -5.378 15.484 -44.305 463 HG2 LYS 59 HG2 LYS 59 -5.912 17.725 -42.367 464 HG3 LYS 59 HG3 LYS 59 -7.147 16.863 -43.287 465 HD2 LYS 59 HD2 LYS 59 -5.230 15.589 -41.335 466 HD3 LYS 59 HD3 LYS 59 -6.907 16.013 -40.981 467 HE2 LYS 59 HE2 LYS 59 -5.914 14.006 -42.999 468 HE3 LYS 59 HE3 LYS 59 -6.800 13.674 -41.511 469 HZ1 LYS 59 HZ1 LYS 59 -7.824 15.062 -43.925 470 HZ2 LYS 59 HZ2 LYS 59 -8.673 14.959 -42.466 471 HZ3 LYS 59 HZ3 LYS 59 -8.308 13.553 -43.333 472 H GLU 60 H GLU 60 -2.972 14.730 -45.097 473 HA GLU 60 HA GLU 60 -3.255 12.355 -43.649 474 HB2 GLU 60 HB2 GLU 60 -2.528 13.056 -46.242 475 HB3 GLU 60 HB3 GLU 60 -1.110 12.230 -45.609 476 HG2 GLU 60 HG2 GLU 60 -3.478 10.776 -44.912 477 HG3 GLU 60 HG3 GLU 60 -3.447 11.090 -46.646 478 H LEU 61 H LEU 61 -0.465 14.483 -44.071 479 HA LEU 61 HA LEU 61 1.390 12.820 -42.718 480 HB2 LEU 61 HB2 LEU 61 1.414 15.801 -43.168 481 HB3 LEU 61 HB3 LEU 61 2.783 14.851 -42.593 482 HG LEU 61 HG LEU 61 1.553 14.126 -45.207 483 HD11 LEU 61 HD11 LEU 61 1.756 16.559 -45.319 484 HD12 LEU 61 HD12 LEU 61 2.927 15.763 -46.369 485 HD13 LEU 61 HD13 LEU 61 3.445 16.442 -44.826 486 HD21 LEU 61 HD21 LEU 61 3.286 12.703 -44.438 487 HD22 LEU 61 HD22 LEU 61 4.312 14.071 -44.004 488 HD23 LEU 61 HD23 LEU 61 3.988 13.714 -45.701 489 H CYS 62 H CYS 62 -0.518 15.633 -41.678 490 HA CYS 62 HA CYS 62 0.428 15.709 -39.032 491 HB2 CYS 62 HB2 CYS 62 -1.406 17.159 -40.593 492 HB3 CYS 62 HB3 CYS 62 -2.324 16.566 -39.212 493 H PHE 63 H PHE 63 -2.286 14.006 -40.516 494 HA PHE 63 HA PHE 63 -3.301 12.978 -38.051 495 HB2 PHE 63 HB2 PHE 63 -4.334 13.212 -40.551 496 HB3 PHE 63 HB3 PHE 63 -3.912 11.503 -40.537 497 HD1 PHE 63 HD2 PHE 63 -5.583 14.021 -38.347 498 HD2 PHE 63 HD1 PHE 63 -5.498 10.022 -39.803 499 HE1 PHE 63 HE2 PHE 63 -7.645 13.527 -37.101 500 HE2 PHE 63 HE1 PHE 63 -7.562 9.522 -38.560 501 HZ PHE 63 HZ PHE 63 -8.637 11.275 -37.205 502 H ALA 64 H ALA 64 -1.162 11.757 -40.575 503 HA ALA 64 HA ALA 64 -0.938 9.138 -39.422 504 HB1 ALA 64 HB1 ALA 64 0.903 10.401 -41.443 505 HB2 ALA 64 HB2 ALA 64 0.642 8.682 -41.143 506 HB3 ALA 64 HB3 ALA 64 -0.642 9.658 -41.857 507 H ASN 65 H ASN 65 0.476 12.170 -38.794 508 HA ASN 65 HA ASN 65 3.056 11.625 -38.020 509 HB2 ASN 65 HB2 ASN 65 2.346 13.882 -37.953 510 HB3 ASN 65 HB3 ASN 65 1.010 13.513 -36.867 511 HD21 ASN 65 HD21 ASN 65 1.302 13.911 -34.796 512 HD22 ASN 65 HD22 ASN 65 2.826 14.135 -34.012 513 H CYS 66 H CYS 66 3.595 9.820 -36.938 514 HA CYS 66 HA CYS 66 2.799 9.600 -34.171 515 HB2 CYS 66 HB2 CYS 66 1.708 7.828 -36.255 516 HB3 CYS 66 HB3 CYS 66 2.395 6.991 -34.867 517 HA PRO 67 HA PRO 67 6.829 7.940 -33.684 518 HB2 PRO 67 HB2 PRO 67 6.487 6.160 -31.663 519 HB3 PRO 67 HB3 PRO 67 6.440 7.910 -31.420 520 HG2 PRO 67 HG2 PRO 67 4.174 5.975 -31.703 521 HG3 PRO 67 HG3 PRO 67 4.357 7.326 -30.569 522 HD2 PRO 67 HD2 PRO 67 2.849 7.500 -32.811 523 HD3 PRO 67 HD3 PRO 67 3.720 8.892 -32.136 524 HA PRO 68 HA PRO 68 7.429 4.152 -35.834 525 HB2 PRO 68 HB2 PRO 68 9.609 3.103 -34.603 526 HB3 PRO 68 HB3 PRO 68 9.691 4.514 -35.664 527 HG2 PRO 68 HG2 PRO 68 9.618 4.395 -32.674 528 HG3 PRO 68 HG3 PRO 68 10.621 5.408 -33.729 529 HD2 PRO 68 HD2 PRO 68 8.392 6.339 -32.505 530 HD3 PRO 68 HD3 PRO 68 8.926 6.927 -34.093 531 H LEU 69 H LEU 69 6.937 1.981 -35.790 532 HA LEU 69 HA LEU 69 5.948 0.953 -33.220 533 HB2 LEU 69 HB2 LEU 69 4.731 -0.697 -34.742 534 HB3 LEU 69 HB3 LEU 69 4.165 0.972 -34.711 535 HG LEU 69 HG LEU 69 6.110 0.269 -36.829 536 HD11 LEU 69 HD11 LEU 69 4.864 -1.664 -37.129 537 HD12 LEU 69 HD12 LEU 69 4.076 -0.512 -38.207 538 HD13 LEU 69 HD13 LEU 69 3.356 -0.889 -36.641 539 HD21 LEU 69 HD21 LEU 69 5.368 2.202 -37.623 540 HD22 LEU 69 HD22 LEU 69 4.315 2.355 -36.216 541 HD23 LEU 69 HD23 LEU 69 3.720 1.578 -37.684 542 H GLU 70 H GLU 70 8.740 0.875 -33.990 543 HA GLU 70 HA GLU 70 10.515 -0.551 -34.098 544 HB2 GLU 70 HB2 GLU 70 9.134 -1.269 -31.984 545 HB3 GLU 70 HB3 GLU 70 8.802 -2.712 -32.932 546 HG2 GLU 70 HG2 GLU 70 11.527 -2.396 -33.183 547 HG3 GLU 70 HG3 GLU 70 11.206 -1.925 -31.515 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.740 6.639 -4.825 2 HA2 GLY 1 HA2 GLY 1 1.408 6.589 -3.559 3 HA3 GLY 1 HA3 GLY 1 1.668 6.686 -5.294 4 HA PRO 2 HA PRO 2 4.010 10.137 -3.257 5 HB2 PRO 2 HB2 PRO 2 6.320 9.688 -4.610 6 HB3 PRO 2 HB3 PRO 2 5.915 8.863 -3.100 7 HG2 PRO 2 HG2 PRO 2 5.654 7.890 -5.919 8 HG3 PRO 2 HG3 PRO 2 6.249 7.028 -4.488 9 HD2 PRO 2 HD2 PRO 2 3.742 6.689 -5.456 10 HD3 PRO 2 HD3 PRO 2 4.122 6.568 -3.726 11 H GLU 3 H GLU 3 4.014 9.064 -6.645 12 HA GLU 3 HA GLU 3 3.537 11.839 -7.457 13 HB2 GLU 3 HB2 GLU 3 6.001 11.093 -7.699 14 HB3 GLU 3 HB3 GLU 3 5.419 10.098 -9.027 15 HG2 GLU 3 HG2 GLU 3 4.324 12.482 -9.671 16 HG3 GLU 3 HG3 GLU 3 5.802 13.002 -8.864 17 H LYS 4 H LYS 4 1.604 9.885 -7.210 18 HA LYS 4 HA LYS 4 -0.143 8.958 -8.333 19 HB2 LYS 4 HB2 LYS 4 0.709 11.154 -9.902 20 HB3 LYS 4 HB3 LYS 4 0.370 9.836 -11.016 21 HG2 LYS 4 HG2 LYS 4 -1.869 9.629 -10.182 22 HG3 LYS 4 HG3 LYS 4 -1.546 10.805 -8.907 23 HD2 LYS 4 HD2 LYS 4 -0.861 12.234 -11.104 24 HD3 LYS 4 HD3 LYS 4 -2.145 11.216 -11.760 25 HE2 LYS 4 HE2 LYS 4 -3.733 12.062 -10.269 26 HE3 LYS 4 HE3 LYS 4 -2.504 12.703 -9.180 27 HZ1 LYS 4 HZ1 LYS 4 -3.677 13.889 -11.536 28 HZ2 LYS 4 HZ2 LYS 4 -1.995 14.039 -11.454 29 HZ3 LYS 4 HZ3 LYS 4 -2.958 14.628 -10.195 30 H MET 5 H MET 5 -0.694 7.517 -10.277 31 HA MET 5 HA MET 5 1.661 5.914 -11.026 32 HB2 MET 5 HB2 MET 5 0.227 3.893 -10.845 33 HB3 MET 5 HB3 MET 5 0.478 4.704 -9.305 34 HG2 MET 5 HG2 MET 5 -1.696 5.013 -9.018 35 HG3 MET 5 HG3 MET 5 -1.883 5.691 -10.633 36 HE1 MET 5 HE1 MET 5 -3.158 3.615 -8.375 37 HE2 MET 5 HE2 MET 5 -4.467 3.631 -9.556 38 HE3 MET 5 HE3 MET 5 -3.709 2.105 -9.100 39 H GLU 6 H GLU 6 1.458 4.710 -13.008 40 HA GLU 6 HA GLU 6 0.031 6.198 -15.022 41 HB2 GLU 6 HB2 GLU 6 1.179 4.756 -16.619 42 HB3 GLU 6 HB3 GLU 6 2.313 5.392 -15.436 43 HG2 GLU 6 HG2 GLU 6 1.805 3.136 -14.202 44 HG3 GLU 6 HG3 GLU 6 1.327 2.613 -15.816 45 H VAL 7 H VAL 7 -1.114 4.907 -16.791 46 HA VAL 7 HA VAL 7 -2.670 2.679 -15.684 47 HB VAL 7 HB VAL 7 -3.932 5.013 -17.128 48 HG11 VAL 7 HG11 VAL 7 -5.960 3.713 -15.939 49 HG12 VAL 7 HG12 VAL 7 -5.421 3.374 -17.584 50 HG13 VAL 7 HG13 VAL 7 -4.876 2.358 -16.249 51 HG21 VAL 7 HG21 VAL 7 -4.973 5.541 -14.957 52 HG22 VAL 7 HG22 VAL 7 -3.983 4.294 -14.198 53 HG23 VAL 7 HG23 VAL 7 -3.218 5.709 -14.919 54 H LYS 8 H LYS 8 -2.953 1.053 -17.080 55 HA LYS 8 HA LYS 8 -3.265 1.360 -19.873 56 HB2 LYS 8 HB2 LYS 8 -0.561 1.300 -18.928 57 HB3 LYS 8 HB3 LYS 8 -0.880 -0.173 -19.834 58 HG2 LYS 8 HG2 LYS 8 -0.619 0.938 -21.725 59 HG3 LYS 8 HG3 LYS 8 -1.976 1.984 -21.301 60 HD2 LYS 8 HD2 LYS 8 -0.355 3.572 -21.483 61 HD3 LYS 8 HD3 LYS 8 -0.111 3.132 -19.791 62 HE2 LYS 8 HE2 LYS 8 1.360 1.460 -21.692 63 HE3 LYS 8 HE3 LYS 8 1.830 3.159 -21.715 64 HZ1 LYS 8 HZ1 LYS 8 3.073 2.692 -19.953 65 HZ2 LYS 8 HZ2 LYS 8 2.381 1.161 -19.759 66 HZ3 LYS 8 HZ3 LYS 8 1.648 2.515 -19.059 67 H GLU 9 H GLU 9 -4.541 -0.276 -20.405 68 HA GLU 9 HA GLU 9 -3.922 -2.973 -19.544 69 HB2 GLU 9 HB2 GLU 9 -5.969 -3.427 -18.443 70 HB3 GLU 9 HB3 GLU 9 -5.369 -1.930 -17.743 71 HG2 GLU 9 HG2 GLU 9 -6.898 -0.647 -19.127 72 HG3 GLU 9 HG3 GLU 9 -7.479 -2.131 -19.880 73 H ILE 10 H ILE 10 -5.038 -4.590 -20.744 74 HA ILE 10 HA ILE 10 -5.755 -5.478 -22.718 75 HB ILE 10 HB ILE 10 -7.729 -3.212 -22.836 76 HG12 ILE 10 HG12 ILE 10 -7.699 -4.011 -20.528 77 HG13 ILE 10 HG13 ILE 10 -9.176 -4.529 -21.332 78 HG21 ILE 10 HG21 ILE 10 -8.727 -5.866 -23.344 79 HG22 ILE 10 HG22 ILE 10 -8.744 -4.442 -24.383 80 HG23 ILE 10 HG23 ILE 10 -7.339 -5.507 -24.371 81 HD11 ILE 10 HD11 ILE 10 -7.014 -6.104 -20.178 82 HD12 ILE 10 HD12 ILE 10 -8.698 -6.531 -20.485 83 HD13 ILE 10 HD13 ILE 10 -7.509 -6.639 -21.783 84 H GLY 11 H GLY 11 -3.538 -3.904 -23.084 85 HA2 GLY 11 HA2 GLY 11 -3.965 -1.998 -25.200 86 HA3 GLY 11 HA3 GLY 11 -2.413 -2.554 -24.593 87 H ARG 12 H ARG 12 -4.462 -2.588 -27.201 88 HA ARG 12 HA ARG 12 -2.840 -4.580 -28.543 89 HB2 ARG 12 HB2 ARG 12 -4.881 -5.770 -29.414 90 HB3 ARG 12 HB3 ARG 12 -4.532 -6.038 -27.711 91 HG2 ARG 12 HG2 ARG 12 -6.324 -4.734 -27.010 92 HG3 ARG 12 HG3 ARG 12 -6.462 -3.919 -28.569 93 HD2 ARG 12 HD2 ARG 12 -7.123 -6.127 -29.557 94 HD3 ARG 12 HD3 ARG 12 -7.184 -6.770 -27.916 95 HE ARG 12 HE ARG 12 -8.774 -4.501 -27.949 96 HH11 ARG 12 HH11 ARG 12 -8.701 -7.623 -29.486 97 HH12 ARG 12 HH12 ARG 12 -10.422 -7.721 -29.665 98 HH21 ARG 12 HH21 ARG 12 -11.040 -4.617 -28.178 99 HH22 ARG 12 HH22 ARG 12 -11.751 -6.009 -28.921 100 H SER 13 H SER 13 -2.423 -2.232 -29.299 101 HA SER 13 HA SER 13 -4.069 -1.792 -31.695 102 HB2 SER 13 HB2 SER 13 -4.253 -0.123 -29.578 103 HB3 SER 13 HB3 SER 13 -2.898 0.619 -30.430 104 HG SER 13 HG SER 13 -4.249 1.342 -31.857 105 H SER 14 H SER 14 -2.766 0.159 -32.946 106 HA SER 14 HA SER 14 0.029 -0.753 -33.134 107 HB2 SER 14 HB2 SER 14 -2.016 -0.383 -35.294 108 HB3 SER 14 HB3 SER 14 -0.312 -0.119 -35.660 109 HG SER 14 HG SER 14 -1.450 -2.377 -35.758 110 H LYS 15 H LYS 15 -1.048 1.509 -31.686 111 HA LYS 15 HA LYS 15 -0.667 3.912 -33.142 112 HB2 LYS 15 HB2 LYS 15 -0.912 5.033 -31.085 113 HB3 LYS 15 HB3 LYS 15 -1.918 3.598 -30.939 114 HG2 LYS 15 HG2 LYS 15 0.900 3.640 -29.921 115 HG3 LYS 15 HG3 LYS 15 -0.446 4.247 -28.954 116 HD2 LYS 15 HD2 LYS 15 -0.666 2.132 -28.252 117 HD3 LYS 15 HD3 LYS 15 -1.391 1.827 -29.833 118 HE2 LYS 15 HE2 LYS 15 0.447 0.747 -30.616 119 HE3 LYS 15 HE3 LYS 15 1.563 1.741 -29.681 120 HZ1 LYS 15 HZ1 LYS 15 0.962 0.506 -27.702 121 HZ2 LYS 15 HZ2 LYS 15 1.524 -0.549 -28.899 122 HZ3 LYS 15 HZ3 LYS 15 -0.134 -0.435 -28.582 123 H ILE 16 H ILE 16 1.081 5.300 -33.246 124 HA ILE 16 HA ILE 16 3.520 4.860 -31.855 125 HB ILE 16 HB ILE 16 4.660 4.564 -34.301 126 HG12 ILE 16 HG12 ILE 16 2.288 2.693 -34.312 127 HG13 ILE 16 HG13 ILE 16 2.349 4.178 -35.254 128 HG21 ILE 16 HG21 ILE 16 3.882 2.106 -32.800 129 HG22 ILE 16 HG22 ILE 16 5.436 2.549 -33.503 130 HG23 ILE 16 HG23 ILE 16 4.889 3.323 -32.016 131 HD11 ILE 16 HD11 ILE 16 4.644 3.052 -36.047 132 HD12 ILE 16 HD12 ILE 16 3.706 1.603 -35.682 133 HD13 ILE 16 HD13 ILE 16 3.096 2.780 -36.846 134 H ILE 17 H ILE 17 5.312 6.266 -32.803 135 HA ILE 17 HA ILE 17 4.116 8.694 -33.974 136 HB ILE 17 HB ILE 17 5.800 10.008 -32.764 137 HG12 ILE 17 HG12 ILE 17 7.326 7.864 -32.608 138 HG13 ILE 17 HG13 ILE 17 7.412 9.116 -31.373 139 HG21 ILE 17 HG21 ILE 17 4.892 9.624 -30.456 140 HG22 ILE 17 HG22 ILE 17 3.675 9.818 -31.716 141 HG23 ILE 17 HG23 ILE 17 4.054 8.211 -31.097 142 HD11 ILE 17 HD11 ILE 17 7.244 6.573 -30.747 143 HD12 ILE 17 HD12 ILE 17 6.429 7.809 -29.789 144 HD13 ILE 17 HD13 ILE 17 5.519 6.866 -30.969 145 H LEU 18 H LEU 18 5.709 10.095 -35.123 146 HA LEU 18 HA LEU 18 7.787 8.492 -36.460 147 HB2 LEU 18 HB2 LEU 18 5.666 8.955 -37.800 148 HB3 LEU 18 HB3 LEU 18 6.188 10.638 -37.827 149 HG LEU 18 HG LEU 18 7.804 8.345 -38.936 150 HD11 LEU 18 HD11 LEU 18 7.031 9.810 -41.079 151 HD12 LEU 18 HD12 LEU 18 5.588 9.902 -40.070 152 HD13 LEU 18 HD13 LEU 18 6.235 8.330 -40.541 153 HD21 LEU 18 HD21 LEU 18 8.236 11.233 -38.589 154 HD22 LEU 18 HD22 LEU 18 8.634 10.597 -40.185 155 HD23 LEU 18 HD23 LEU 18 9.401 9.918 -38.749 156 HA PRO 19 HA PRO 19 10.152 11.946 -34.806 157 HB2 PRO 19 HB2 PRO 19 12.570 10.800 -35.270 158 HB3 PRO 19 HB3 PRO 19 11.560 10.383 -33.881 159 HG2 PRO 19 HG2 PRO 19 11.887 8.944 -36.485 160 HG3 PRO 19 HG3 PRO 19 11.816 8.281 -34.842 161 HD2 PRO 19 HD2 PRO 19 9.689 8.251 -36.517 162 HD3 PRO 19 HD3 PRO 19 9.516 8.401 -34.757 163 H ALA 20 H ALA 20 11.262 13.621 -35.753 164 HA ALA 20 HA ALA 20 12.632 13.539 -38.192 165 HB1 ALA 20 HB1 ALA 20 10.747 15.038 -39.355 166 HB2 ALA 20 HB2 ALA 20 10.844 13.288 -39.557 167 HB3 ALA 20 HB3 ALA 20 9.716 13.980 -38.391 168 H CYS 21 H CYS 21 10.223 15.969 -37.263 169 HA CYS 21 HA CYS 21 12.400 17.721 -36.351 170 HB2 CYS 21 HB2 CYS 21 11.279 19.627 -37.499 171 HB3 CYS 21 HB3 CYS 21 11.912 18.418 -38.612 172 H MET 22 H MET 22 8.951 16.992 -36.364 173 HA MET 22 HA MET 22 8.714 18.422 -33.798 174 HB2 MET 22 HB2 MET 22 7.230 18.783 -36.188 175 HB3 MET 22 HB3 MET 22 6.152 18.039 -35.015 176 HG2 MET 22 HG2 MET 22 6.865 19.835 -33.399 177 HG3 MET 22 HG3 MET 22 7.652 20.626 -34.763 178 HE1 MET 22 HE1 MET 22 4.002 21.118 -32.957 179 HE2 MET 22 HE2 MET 22 5.700 21.540 -32.729 180 HE3 MET 22 HE3 MET 22 4.635 22.621 -33.629 181 H HIS 23 H HIS 23 6.286 17.534 -32.959 182 HA HIS 23 HA HIS 23 6.800 14.673 -32.530 183 HB2 HIS 23 HB2 HIS 23 5.502 16.802 -30.860 184 HB3 HIS 23 HB3 HIS 23 5.131 15.105 -30.571 185 HD1 HIS 23 HD1 HIS 23 6.397 14.456 -28.550 186 HD2 HIS 23 HD2 HIS 23 8.679 16.788 -31.122 187 HE1 HIS 23 HE1 HIS 23 8.690 14.546 -27.520 188 H GLU 24 H GLU 24 5.636 13.436 -33.854 189 HA GLU 24 HA GLU 24 2.797 14.121 -34.250 190 HB2 GLU 24 HB2 GLU 24 3.011 12.904 -36.453 191 HB3 GLU 24 HB3 GLU 24 3.853 14.444 -36.353 192 HG2 GLU 24 HG2 GLU 24 5.926 13.102 -35.769 193 HG3 GLU 24 HG3 GLU 24 5.016 11.681 -36.279 194 H THR 25 H THR 25 1.435 12.203 -34.805 195 HA THR 25 HA THR 25 2.400 9.627 -33.899 196 HB THR 25 HB THR 25 -0.032 10.652 -32.480 197 HG1 THR 25 HG1 THR 25 1.205 11.553 -30.905 198 HG21 THR 25 HG21 THR 25 0.948 9.038 -30.739 199 HG22 THR 25 HG22 THR 25 2.007 8.490 -32.039 200 HG23 THR 25 HG23 THR 25 0.258 8.342 -32.204 201 H CYS 26 H CYS 26 0.665 7.943 -34.067 202 HA CYS 26 HA CYS 26 -1.622 8.588 -35.711 203 HB2 CYS 26 HB2 CYS 26 0.590 8.179 -37.145 204 HB3 CYS 26 HB3 CYS 26 0.136 6.497 -36.896 205 H SER 27 H SER 27 -3.199 6.999 -35.689 206 HA SER 27 HA SER 27 -2.735 4.360 -34.718 207 HB2 SER 27 HB2 SER 27 -2.614 5.163 -32.533 208 HB3 SER 27 HB3 SER 27 -3.786 6.446 -32.833 209 HG SER 27 HG SER 27 -4.194 3.769 -32.201 210 H GLY 28 H GLY 28 -4.268 3.070 -35.522 211 HA2 GLY 28 HA2 GLY 28 -6.972 4.114 -35.928 212 HA3 GLY 28 HA3 GLY 28 -6.100 3.556 -37.348 213 H GLY 29 H GLY 29 -6.662 2.368 -34.026 214 HA2 GLY 29 HA2 GLY 29 -7.823 -0.071 -35.141 215 HA3 GLY 29 HA3 GLY 29 -6.366 -0.253 -34.175 216 H PHE 30 H PHE 30 -6.490 0.864 -31.974 217 HA PHE 30 HA PHE 30 -9.079 0.160 -30.782 218 HB2 PHE 30 HB2 PHE 30 -7.299 -1.096 -29.806 219 HB3 PHE 30 HB3 PHE 30 -6.299 0.341 -29.621 220 HD1 PHE 30 HD1 PHE 30 -9.682 -0.853 -28.586 221 HD2 PHE 30 HD2 PHE 30 -6.108 1.190 -27.506 222 HE1 PHE 30 HE1 PHE 30 -10.549 -0.550 -26.303 223 HE2 PHE 30 HE2 PHE 30 -6.968 1.495 -25.221 224 HZ PHE 30 HZ PHE 30 -9.191 0.624 -24.617 225 H SER 31 H SER 31 -6.472 2.436 -29.927 226 HA SER 31 HA SER 31 -8.265 4.258 -28.684 227 HB2 SER 31 HB2 SER 31 -5.356 4.227 -29.334 228 HB3 SER 31 HB3 SER 31 -6.101 5.788 -28.988 229 HG SER 31 HG SER 31 -6.971 4.619 -27.053 230 H LEU 32 H LEU 32 -6.748 4.094 -31.858 231 HA LEU 32 HA LEU 32 -7.059 5.273 -33.778 232 HB2 LEU 32 HB2 LEU 32 -9.262 4.449 -33.769 233 HB3 LEU 32 HB3 LEU 32 -9.745 5.526 -32.461 234 HG LEU 32 HG LEU 32 -9.724 7.422 -33.946 235 HD11 LEU 32 HD11 LEU 32 -7.848 6.863 -35.347 236 HD12 LEU 32 HD12 LEU 32 -9.269 7.127 -36.358 237 HD13 LEU 32 HD13 LEU 32 -8.717 5.485 -36.025 238 HD21 LEU 32 HD21 LEU 32 -11.400 5.127 -34.295 239 HD22 LEU 32 HD22 LEU 32 -11.206 5.960 -35.838 240 HD23 LEU 32 HD23 LEU 32 -11.809 6.838 -34.431 241 H LYS 33 H LYS 33 -5.556 6.895 -33.502 242 HA LYS 33 HA LYS 33 -6.661 9.542 -33.077 243 HB2 LYS 33 HB2 LYS 33 -4.301 8.593 -31.443 244 HB3 LYS 33 HB3 LYS 33 -5.005 10.204 -31.420 245 HG2 LYS 33 HG2 LYS 33 -7.079 9.288 -30.513 246 HG3 LYS 33 HG3 LYS 33 -6.373 7.671 -30.536 247 HD2 LYS 33 HD2 LYS 33 -6.143 8.456 -28.316 248 HD3 LYS 33 HD3 LYS 33 -4.543 8.590 -29.050 249 HE2 LYS 33 HE2 LYS 33 -4.620 10.885 -29.121 250 HE3 LYS 33 HE3 LYS 33 -6.382 10.931 -29.178 251 HZ1 LYS 33 HZ1 LYS 33 -5.637 11.709 -27.055 252 HZ2 LYS 33 HZ2 LYS 33 -4.704 10.320 -26.807 253 HZ3 LYS 33 HZ3 LYS 33 -6.391 10.210 -26.836 254 H ASN 34 H ASN 34 -4.628 11.162 -33.231 255 HA ASN 34 HA ASN 34 -2.475 10.359 -34.891 256 HB2 ASN 34 HB2 ASN 34 -3.099 11.160 -37.003 257 HB3 ASN 34 HB3 ASN 34 -4.539 10.313 -36.447 258 HD21 ASN 34 HD21 ASN 34 -6.401 11.393 -36.294 259 HD22 ASN 34 HD22 ASN 34 -6.583 13.092 -36.554 260 H ASP 35 H ASP 35 -0.984 12.026 -35.251 261 HA ASP 35 HA ASP 35 -1.663 14.665 -34.167 262 HB2 ASP 35 HB2 ASP 35 -0.276 12.882 -32.651 263 HB3 ASP 35 HB3 ASP 35 1.041 13.700 -33.487 264 H CYS 36 H CYS 36 -1.325 16.042 -35.774 265 HA CYS 36 HA CYS 36 0.132 15.579 -38.085 266 HB2 CYS 36 HB2 CYS 36 -0.627 18.167 -36.728 267 HB3 CYS 36 HB3 CYS 36 0.129 18.106 -38.316 268 H TRP 37 H TRP 37 1.987 17.197 -38.751 269 HA TRP 37 HA TRP 37 4.036 17.176 -36.637 270 HB2 TRP 37 HB2 TRP 37 5.713 16.544 -38.328 271 HB3 TRP 37 HB3 TRP 37 4.461 15.315 -38.162 272 HD1 TRP 37 HD1 TRP 37 2.365 15.697 -40.121 273 HE1 TRP 37 HE1 TRP 37 2.711 16.076 -42.643 274 HE3 TRP 37 HE3 TRP 37 7.201 17.351 -40.037 275 HZ2 TRP 37 HZ2 TRP 37 4.763 16.958 -44.369 276 HZ3 TRP 37 HZ3 TRP 37 8.283 17.941 -42.167 277 HH2 TRP 37 HH2 TRP 37 7.087 17.748 -44.287 278 H CYS 38 H CYS 38 6.094 18.394 -37.841 279 HA CYS 38 HA CYS 38 5.229 21.116 -37.961 280 HB2 CYS 38 HB2 CYS 38 7.642 21.601 -38.349 281 HB3 CYS 38 HB3 CYS 38 7.353 20.598 -36.931 282 H CYS 39 H CYS 39 6.648 22.403 -39.809 283 HA CYS 39 HA CYS 39 6.544 21.230 -42.406 284 HB2 CYS 39 HB2 CYS 39 4.790 22.904 -43.245 285 HB3 CYS 39 HB3 CYS 39 4.206 21.501 -42.356 286 H LEU 40 H LEU 40 7.075 22.825 -44.117 287 HA LEU 40 HA LEU 40 8.539 24.373 -44.924 288 HB2 LEU 40 HB2 LEU 40 6.545 25.671 -43.517 289 HB3 LEU 40 HB3 LEU 40 8.028 26.398 -42.901 290 HG LEU 40 HG LEU 40 8.665 26.979 -45.217 291 HD11 LEU 40 HD11 LEU 40 5.913 26.463 -46.176 292 HD12 LEU 40 HD12 LEU 40 6.996 25.078 -46.048 293 HD13 LEU 40 HD13 LEU 40 7.443 26.457 -47.053 294 HD21 LEU 40 HD21 LEU 40 6.350 28.440 -45.444 295 HD22 LEU 40 HD22 LEU 40 7.762 28.885 -44.484 296 HD23 LEU 40 HD23 LEU 40 6.405 28.051 -43.724 297 H ARG 41 H ARG 41 10.071 26.345 -43.820 298 HA ARG 41 HA ARG 41 12.170 24.836 -42.611 299 HB2 ARG 41 HB2 ARG 41 13.411 26.942 -42.609 300 HB3 ARG 41 HB3 ARG 41 12.631 26.677 -44.162 301 HG2 ARG 41 HG2 ARG 41 11.831 28.736 -43.988 302 HG3 ARG 41 HG3 ARG 41 10.772 28.130 -42.713 303 HD2 ARG 41 HD2 ARG 41 12.032 30.119 -42.009 304 HD3 ARG 41 HD3 ARG 41 12.418 28.703 -41.032 305 HE ARG 41 HE ARG 41 14.209 29.124 -43.245 306 HH11 ARG 41 HH11 ARG 41 13.521 29.886 -39.919 307 HH12 ARG 41 HH12 ARG 41 15.163 30.281 -39.533 308 HH21 ARG 41 HH21 ARG 41 16.375 29.641 -42.750 309 HH22 ARG 41 HH22 ARG 41 16.785 30.142 -41.145 310 H LEU 42 H LEU 42 13.279 25.536 -40.601 311 HA LEU 42 HA LEU 42 11.758 26.962 -38.624 312 HB2 LEU 42 HB2 LEU 42 11.907 24.875 -37.072 313 HB3 LEU 42 HB3 LEU 42 10.553 25.066 -38.184 314 HG LEU 42 HG LEU 42 12.737 23.575 -39.380 315 HD11 LEU 42 HD11 LEU 42 13.008 21.822 -37.972 316 HD12 LEU 42 HD12 LEU 42 11.404 21.999 -37.260 317 HD13 LEU 42 HD13 LEU 42 12.712 23.072 -36.763 318 HD21 LEU 42 HD21 LEU 42 11.021 22.608 -40.425 319 HD22 LEU 42 HD22 LEU 42 10.000 23.802 -39.625 320 HD23 LEU 42 HD23 LEU 42 10.217 22.205 -38.908 321 H LYS 43 H LYS 43 12.910 26.476 -36.352 322 HA LYS 43 HA LYS 43 15.806 26.651 -36.873 323 HB2 LYS 43 HB2 LYS 43 15.932 28.080 -34.857 324 HB3 LYS 43 HB3 LYS 43 14.927 28.779 -36.120 325 HG2 LYS 43 HG2 LYS 43 13.026 27.516 -34.749 326 HG3 LYS 43 HG3 LYS 43 14.185 27.767 -33.441 327 HD2 LYS 43 HD2 LYS 43 13.467 30.036 -35.253 328 HD3 LYS 43 HD3 LYS 43 12.375 29.577 -33.944 329 HE2 LYS 43 HE2 LYS 43 14.528 29.680 -32.483 330 HE3 LYS 43 HE3 LYS 43 15.158 30.663 -33.804 331 HZ1 LYS 43 HZ1 LYS 43 13.524 31.479 -31.715 332 HZ2 LYS 43 HZ2 LYS 43 12.573 31.549 -33.111 333 HZ3 LYS 43 HZ3 LYS 43 14.036 32.395 -33.042 334 H THR 44 H THR 44 13.369 25.612 -34.512 335 HA THR 44 HA THR 44 15.328 23.663 -33.482 336 HB THR 44 HB THR 44 14.605 25.521 -31.879 337 HG1 THR 44 HG1 THR 44 14.000 22.892 -30.984 338 HG21 THR 44 HG21 THR 44 12.141 23.879 -31.450 339 HG22 THR 44 HG22 THR 44 12.136 25.170 -32.652 340 HG23 THR 44 HG23 THR 44 12.479 25.539 -30.962 341 H LYS 45 H LYS 45 12.014 24.279 -34.440 342 HA LYS 45 HA LYS 45 11.557 21.649 -35.297 343 HB2 LYS 45 HB2 LYS 45 10.192 20.697 -33.644 344 HB3 LYS 45 HB3 LYS 45 11.541 21.380 -32.746 345 HG2 LYS 45 HG2 LYS 45 10.092 23.410 -32.355 346 HG3 LYS 45 HG3 LYS 45 8.750 22.459 -32.997 347 HD2 LYS 45 HD2 LYS 45 10.462 21.717 -30.624 348 HD3 LYS 45 HD3 LYS 45 8.827 22.377 -30.549 349 HE2 LYS 45 HE2 LYS 45 8.404 20.287 -32.183 350 HE3 LYS 45 HE3 LYS 45 9.754 19.658 -31.241 351 HZ1 LYS 45 HZ1 LYS 45 7.341 19.304 -30.422 352 HZ2 LYS 45 HZ2 LYS 45 7.471 20.893 -29.859 353 HZ3 LYS 45 HZ3 LYS 45 8.545 19.710 -29.305 354 H GLN 46 H GLN 46 10.262 24.701 -34.188 355 HA GLN 46 HA GLN 46 8.279 24.580 -36.346 356 HB2 GLN 46 HB2 GLN 46 6.591 25.624 -34.894 357 HB3 GLN 46 HB3 GLN 46 7.073 24.041 -34.301 358 HG2 GLN 46 HG2 GLN 46 8.757 25.451 -32.863 359 HG3 GLN 46 HG3 GLN 46 7.585 26.735 -33.156 360 HE21 GLN 46 HE21 GLN 46 5.226 25.841 -32.881 361 HE22 GLN 46 HE22 GLN 46 4.957 24.999 -31.397 362 H ALA 47 H ALA 47 7.586 26.646 -37.127 363 HA ALA 47 HA ALA 47 8.509 29.114 -36.189 364 HB1 ALA 47 HB1 ALA 47 10.624 27.735 -37.185 365 HB2 ALA 47 HB2 ALA 47 10.096 28.633 -38.609 366 HB3 ALA 47 HB3 ALA 47 10.512 29.495 -37.127 367 H ARG 48 H ARG 48 8.515 27.742 -39.481 368 HA ARG 48 HA ARG 48 6.261 29.529 -40.122 369 HB2 ARG 48 HB2 ARG 48 8.662 28.797 -41.798 370 HB3 ARG 48 HB3 ARG 48 7.219 29.548 -42.467 371 HG2 ARG 48 HG2 ARG 48 8.291 31.466 -42.073 372 HG3 ARG 48 HG3 ARG 48 7.785 31.219 -40.400 373 HD2 ARG 48 HD2 ARG 48 10.111 29.703 -40.703 374 HD3 ARG 48 HD3 ARG 48 10.434 31.221 -41.539 375 HE ARG 48 HE ARG 48 10.280 30.831 -38.735 376 HH11 ARG 48 HH11 ARG 48 9.503 33.113 -41.247 377 HH12 ARG 48 HH12 ARG 48 9.609 34.494 -40.206 378 HH21 ARG 48 HH21 ARG 48 10.423 32.641 -37.355 379 HH22 ARG 48 HH22 ARG 48 10.134 34.224 -37.992 380 H CYS 49 H CYS 49 4.657 28.744 -41.485 381 HA CYS 49 HA CYS 49 4.848 26.067 -42.567 382 HB2 CYS 49 HB2 CYS 49 3.822 26.368 -39.992 383 HB3 CYS 49 HB3 CYS 49 2.396 26.249 -41.017 384 H TRP 50 H TRP 50 2.464 25.482 -43.401 385 HA TRP 50 HA TRP 50 1.537 27.873 -44.850 386 HB2 TRP 50 HB2 TRP 50 0.657 26.104 -46.510 387 HB3 TRP 50 HB3 TRP 50 2.390 26.418 -46.476 388 HD1 TRP 50 HD1 TRP 50 -0.067 23.882 -44.844 389 HE1 TRP 50 HE1 TRP 50 1.115 21.599 -44.742 390 HE3 TRP 50 HE3 TRP 50 4.469 25.230 -46.778 391 HZ2 TRP 50 HZ2 TRP 50 3.638 20.512 -45.394 392 HZ3 TRP 50 HZ3 TRP 50 6.213 23.509 -47.006 393 HH2 TRP 50 HH2 TRP 50 5.804 21.200 -46.327 394 H LYS 51 H LYS 51 -0.595 28.390 -44.857 395 HA LYS 51 HA LYS 51 -2.256 27.264 -42.830 396 HB2 LYS 51 HB2 LYS 51 -3.038 29.170 -45.042 397 HB3 LYS 51 HB3 LYS 51 -3.912 28.886 -43.542 398 HG2 LYS 51 HG2 LYS 51 -2.796 30.569 -42.642 399 HG3 LYS 51 HG3 LYS 51 -1.319 29.613 -42.782 400 HD2 LYS 51 HD2 LYS 51 -1.391 30.509 -45.265 401 HD3 LYS 51 HD3 LYS 51 -2.351 31.793 -44.528 402 HE2 LYS 51 HE2 LYS 51 -0.456 31.962 -42.813 403 HE3 LYS 51 HE3 LYS 51 0.487 31.000 -43.950 404 HZ1 LYS 51 HZ1 LYS 51 -0.747 33.102 -45.343 405 HZ2 LYS 51 HZ2 LYS 51 0.904 32.822 -45.108 406 HZ3 LYS 51 HZ3 LYS 51 0.037 33.751 -43.992 407 H GLU 52 H GLU 52 -3.568 25.573 -42.970 408 HA GLU 52 HA GLU 52 -3.819 23.996 -45.270 409 HB2 GLU 52 HB2 GLU 52 -4.166 23.283 -42.863 410 HB3 GLU 52 HB3 GLU 52 -5.760 24.017 -42.961 411 HG2 GLU 52 HG2 GLU 52 -5.357 22.260 -45.187 412 HG3 GLU 52 HG3 GLU 52 -5.016 21.416 -43.678 413 H LYS 53 H LYS 53 -5.413 26.861 -44.388 414 HA LYS 53 HA LYS 53 -7.879 26.402 -45.766 415 HB2 LYS 53 HB2 LYS 53 -8.254 28.809 -45.449 416 HB3 LYS 53 HB3 LYS 53 -7.745 28.032 -43.956 417 HG2 LYS 53 HG2 LYS 53 -5.357 28.826 -44.928 418 HG3 LYS 53 HG3 LYS 53 -6.408 30.090 -45.572 419 HD2 LYS 53 HD2 LYS 53 -7.339 30.284 -43.203 420 HD3 LYS 53 HD3 LYS 53 -5.950 29.316 -42.703 421 HE2 LYS 53 HE2 LYS 53 -4.963 31.329 -42.472 422 HE3 LYS 53 HE3 LYS 53 -4.722 31.185 -44.213 423 HZ1 LYS 53 HZ1 LYS 53 -6.275 33.071 -42.775 424 HZ2 LYS 53 HZ2 LYS 53 -7.247 32.243 -43.884 425 HZ3 LYS 53 HZ3 LYS 53 -5.863 33.058 -44.416 426 H GLU 54 H GLU 54 -4.801 27.930 -46.567 427 HA GLU 54 HA GLU 54 -5.769 28.406 -49.299 428 HB2 GLU 54 HB2 GLU 54 -3.397 29.511 -47.793 429 HB3 GLU 54 HB3 GLU 54 -3.666 29.783 -49.509 430 HG2 GLU 54 HG2 GLU 54 -5.787 30.478 -47.527 431 HG3 GLU 54 HG3 GLU 54 -4.424 31.562 -47.795 432 H PHE 55 H PHE 55 -3.986 26.221 -47.496 433 HA PHE 55 HA PHE 55 -2.652 25.220 -49.924 434 HB2 PHE 55 HB2 PHE 55 -1.549 25.769 -47.250 435 HB3 PHE 55 HB3 PHE 55 -1.122 24.192 -47.907 436 HD1 PHE 55 HD1 PHE 55 -1.213 27.790 -48.865 437 HD2 PHE 55 HD2 PHE 55 0.705 24.015 -49.299 438 HE1 PHE 55 HE1 PHE 55 0.542 28.843 -50.231 439 HE2 PHE 55 HE2 PHE 55 2.464 25.062 -50.664 440 HZ PHE 55 HZ PHE 55 2.385 27.479 -51.131 441 HA PRO 56 HA PRO 56 -5.331 21.768 -48.932 442 HB2 PRO 56 HB2 PRO 56 -4.775 20.375 -51.195 443 HB3 PRO 56 HB3 PRO 56 -5.894 21.744 -51.160 444 HG2 PRO 56 HG2 PRO 56 -3.027 21.662 -52.018 445 HG3 PRO 56 HG3 PRO 56 -4.401 22.483 -52.782 446 HD2 PRO 56 HD2 PRO 56 -2.605 23.787 -51.232 447 HD3 PRO 56 HD3 PRO 56 -4.312 24.263 -51.321 448 H ASN 57 H ASN 57 -1.941 21.623 -49.855 449 HA ASN 57 HA ASN 57 -1.437 18.925 -49.341 450 HB2 ASN 57 HB2 ASN 57 0.073 21.161 -50.063 451 HB3 ASN 57 HB3 ASN 57 0.780 20.622 -48.543 452 HD21 ASN 57 HD21 ASN 57 0.398 17.907 -48.722 453 HD22 ASN 57 HD22 ASN 57 1.350 17.279 -50.020 454 H ALA 58 H ALA 58 -1.673 21.676 -47.180 455 HA ALA 58 HA ALA 58 -0.516 20.625 -44.883 456 HB1 ALA 58 HB1 ALA 58 -1.709 22.964 -45.487 457 HB2 ALA 58 HB2 ALA 58 -2.950 22.231 -44.470 458 HB3 ALA 58 HB3 ALA 58 -1.317 22.457 -43.843 459 H LYS 59 H LYS 59 -3.906 20.432 -45.948 460 HA LYS 59 HA LYS 59 -4.779 18.863 -43.757 461 HB2 LYS 59 HB2 LYS 59 -6.046 20.219 -45.728 462 HB3 LYS 59 HB3 LYS 59 -6.209 18.575 -46.331 463 HG2 LYS 59 HG2 LYS 59 -7.131 19.605 -43.657 464 HG3 LYS 59 HG3 LYS 59 -8.147 19.169 -45.033 465 HD2 LYS 59 HD2 LYS 59 -6.357 17.288 -43.493 466 HD3 LYS 59 HD3 LYS 59 -8.112 17.399 -43.339 467 HE2 LYS 59 HE2 LYS 59 -6.619 16.671 -45.858 468 HE3 LYS 59 HE3 LYS 59 -7.408 15.526 -44.774 469 HZ1 LYS 59 HZ1 LYS 59 -8.603 17.445 -46.640 470 HZ2 LYS 59 HZ2 LYS 59 -9.457 17.059 -45.231 471 HZ3 LYS 59 HZ3 LYS 59 -9.033 15.839 -46.324 472 H GLU 60 H GLU 60 -3.698 18.048 -47.030 473 HA GLU 60 HA GLU 60 -4.239 15.302 -46.941 474 HB2 GLU 60 HB2 GLU 60 -2.219 16.924 -48.476 475 HB3 GLU 60 HB3 GLU 60 -2.347 15.182 -48.668 476 HG2 GLU 60 HG2 GLU 60 -4.759 16.914 -48.985 477 HG3 GLU 60 HG3 GLU 60 -3.599 16.741 -50.302 478 H LEU 61 H LEU 61 -1.322 17.111 -46.046 479 HA LEU 61 HA LEU 61 0.216 14.837 -45.347 480 HB2 LEU 61 HB2 LEU 61 0.488 17.679 -44.379 481 HB3 LEU 61 HB3 LEU 61 1.717 16.421 -44.262 482 HG LEU 61 HG LEU 61 0.714 17.120 -46.970 483 HD11 LEU 61 HD11 LEU 61 1.282 19.258 -46.886 484 HD12 LEU 61 HD12 LEU 61 2.920 18.799 -46.425 485 HD13 LEU 61 HD13 LEU 61 1.707 19.100 -45.181 486 HD21 LEU 61 HD21 LEU 61 2.344 15.340 -46.669 487 HD22 LEU 61 HD22 LEU 61 3.426 16.451 -45.830 488 HD23 LEU 61 HD23 LEU 61 3.060 16.697 -47.538 489 H CYS 62 H CYS 62 -1.894 16.992 -43.516 490 HA CYS 62 HA CYS 62 -1.288 16.070 -40.942 491 HB2 CYS 62 HB2 CYS 62 -3.146 17.853 -42.119 492 HB3 CYS 62 HB3 CYS 62 -4.074 16.733 -41.127 493 H PHE 63 H PHE 63 -3.803 15.018 -43.222 494 HA PHE 63 HA PHE 63 -4.764 12.946 -41.502 495 HB2 PHE 63 HB2 PHE 63 -5.449 14.054 -44.105 496 HB3 PHE 63 HB3 PHE 63 -5.573 12.298 -44.084 497 HD1 PHE 63 HD2 PHE 63 -6.295 14.865 -41.480 498 HD2 PHE 63 HD1 PHE 63 -7.801 11.743 -43.950 499 HE1 PHE 63 HE2 PHE 63 -8.480 15.038 -40.362 500 HE2 PHE 63 HE1 PHE 63 -9.988 11.912 -42.836 501 HZ PHE 63 HZ PHE 63 -10.330 13.560 -41.039 502 H ALA 64 H ALA 64 -2.638 13.061 -44.329 503 HA ALA 64 HA ALA 64 -2.254 10.253 -44.509 504 HB1 ALA 64 HB1 ALA 64 -1.850 11.961 -46.330 505 HB2 ALA 64 HB2 ALA 64 -0.339 12.346 -45.506 506 HB3 ALA 64 HB3 ALA 64 -0.609 10.722 -46.137 507 H ASN 65 H ASN 65 -1.061 12.608 -42.367 508 HA ASN 65 HA ASN 65 1.502 11.846 -41.764 509 HB2 ASN 65 HB2 ASN 65 1.270 13.052 -39.830 510 HB3 ASN 65 HB3 ASN 65 -0.165 13.619 -40.678 511 HD21 ASN 65 HD21 ASN 65 0.916 12.579 -37.800 512 HD22 ASN 65 HD22 ASN 65 -0.545 11.940 -37.136 513 H CYS 66 H CYS 66 2.477 10.142 -40.846 514 HA CYS 66 HA CYS 66 1.424 8.417 -38.941 515 HB2 CYS 66 HB2 CYS 66 0.455 7.872 -41.596 516 HB3 CYS 66 HB3 CYS 66 1.449 6.529 -41.040 517 HA PRO 67 HA PRO 67 5.678 7.304 -38.901 518 HB2 PRO 67 HB2 PRO 67 5.538 5.042 -37.406 519 HB3 PRO 67 HB3 PRO 67 5.339 6.660 -36.722 520 HG2 PRO 67 HG2 PRO 67 3.249 4.662 -37.501 521 HG3 PRO 67 HG3 PRO 67 3.333 5.688 -36.057 522 HD2 PRO 67 HD2 PRO 67 1.772 6.292 -38.185 523 HD3 PRO 67 HD3 PRO 67 2.528 7.538 -37.172 524 HA PRO 68 HA PRO 68 6.602 4.239 -41.915 525 HB2 PRO 68 HB2 PRO 68 8.825 3.037 -40.922 526 HB3 PRO 68 HB3 PRO 68 8.831 4.681 -41.573 527 HG2 PRO 68 HG2 PRO 68 8.709 3.772 -38.723 528 HG3 PRO 68 HG3 PRO 68 9.660 5.087 -39.439 529 HD2 PRO 68 HD2 PRO 68 7.350 5.524 -38.096 530 HD3 PRO 68 HD3 PRO 68 7.872 6.541 -39.454 531 H LEU 69 H LEU 69 6.973 1.881 -42.290 532 HA LEU 69 HA LEU 69 5.512 0.295 -40.286 533 HB2 LEU 69 HB2 LEU 69 5.801 -0.368 -43.203 534 HB3 LEU 69 HB3 LEU 69 4.680 -1.068 -42.037 535 HG LEU 69 HG LEU 69 3.798 1.432 -41.945 536 HD11 LEU 69 HD11 LEU 69 4.184 1.529 -44.813 537 HD12 LEU 69 HD12 LEU 69 5.709 1.648 -43.936 538 HD13 LEU 69 HD13 LEU 69 4.407 2.788 -43.598 539 HD21 LEU 69 HD21 LEU 69 2.074 0.169 -42.574 540 HD22 LEU 69 HD22 LEU 69 3.113 -0.950 -43.457 541 HD23 LEU 69 HD23 LEU 69 2.545 0.528 -44.235 542 H GLU 70 H GLU 70 8.401 0.819 -40.337 543 HA GLU 70 HA GLU 70 9.309 -1.974 -40.526 544 HB2 GLU 70 HB2 GLU 70 10.856 0.495 -41.330 545 HB3 GLU 70 HB3 GLU 70 11.544 -1.119 -41.213 546 HG2 GLU 70 HG2 GLU 70 9.235 -1.271 -42.849 547 HG3 GLU 70 HG3 GLU 70 10.211 0.089 -43.401 Start of MODEL 16 1 H1 GLY 1 H GLY 1 6.719 -6.843 1.574 2 HA2 GLY 1 HA2 GLY 1 6.111 -4.438 1.253 3 HA3 GLY 1 HA3 GLY 1 6.236 -5.309 -0.268 4 HA PRO 2 HA PRO 2 1.510 -4.956 0.748 5 HB2 PRO 2 HB2 PRO 2 0.845 -3.256 2.758 6 HB3 PRO 2 HB3 PRO 2 1.155 -4.976 3.018 7 HG2 PRO 2 HG2 PRO 2 2.972 -2.638 3.456 8 HG3 PRO 2 HG3 PRO 2 2.709 -4.059 4.484 9 HD2 PRO 2 HD2 PRO 2 4.848 -3.824 2.840 10 HD3 PRO 2 HD3 PRO 2 4.099 -5.390 3.215 11 H GLU 3 H GLU 3 -0.094 -2.896 0.886 12 HA GLU 3 HA GLU 3 -0.767 -1.005 -0.186 13 HB2 GLU 3 HB2 GLU 3 0.934 -0.107 1.524 14 HB3 GLU 3 HB3 GLU 3 2.029 0.054 0.157 15 HG2 GLU 3 HG2 GLU 3 0.663 1.655 -0.886 16 HG3 GLU 3 HG3 GLU 3 -0.702 1.293 0.169 17 H LYS 4 H LYS 4 0.546 -3.197 -1.698 18 HA LYS 4 HA LYS 4 1.509 -1.668 -4.023 19 HB2 LYS 4 HB2 LYS 4 2.142 -4.396 -2.979 20 HB3 LYS 4 HB3 LYS 4 2.260 -4.104 -4.709 21 HG2 LYS 4 HG2 LYS 4 3.703 -2.066 -4.005 22 HG3 LYS 4 HG3 LYS 4 3.868 -2.940 -2.481 23 HD2 LYS 4 HD2 LYS 4 4.576 -4.941 -3.881 24 HD3 LYS 4 HD3 LYS 4 4.711 -3.815 -5.234 25 HE2 LYS 4 HE2 LYS 4 6.199 -2.430 -3.660 26 HE3 LYS 4 HE3 LYS 4 6.289 -3.895 -2.682 27 HZ1 LYS 4 HZ1 LYS 4 7.553 -4.950 -4.212 28 HZ2 LYS 4 HZ2 LYS 4 8.007 -3.369 -4.605 29 HZ3 LYS 4 HZ3 LYS 4 6.841 -4.170 -5.533 30 H MET 5 H MET 5 0.101 -1.444 -5.621 31 HA MET 5 HA MET 5 -1.773 -3.640 -6.173 32 HB2 MET 5 HB2 MET 5 -3.537 -1.989 -6.670 33 HB3 MET 5 HB3 MET 5 -3.026 -1.927 -4.988 34 HG2 MET 5 HG2 MET 5 -2.060 0.128 -5.207 35 HG3 MET 5 HG3 MET 5 -1.723 -0.092 -6.923 36 HE1 MET 5 HE1 MET 5 -2.463 2.315 -5.616 37 HE2 MET 5 HE2 MET 5 -3.643 3.057 -6.696 38 HE3 MET 5 HE3 MET 5 -4.124 2.555 -5.075 39 H GLU 6 H GLU 6 -2.523 -3.751 -8.365 40 HA GLU 6 HA GLU 6 -0.482 -2.996 -10.250 41 HB2 GLU 6 HB2 GLU 6 -3.134 -4.293 -10.870 42 HB3 GLU 6 HB3 GLU 6 -1.663 -4.341 -11.831 43 HG2 GLU 6 HG2 GLU 6 -0.761 -5.433 -9.548 44 HG3 GLU 6 HG3 GLU 6 -2.450 -5.935 -9.486 45 H VAL 7 H VAL 7 -1.070 -2.000 -12.363 46 HA VAL 7 HA VAL 7 -3.345 -0.189 -12.314 47 HB VAL 7 HB VAL 7 -1.585 1.095 -11.179 48 HG11 VAL 7 HG11 VAL 7 0.311 -0.078 -12.324 49 HG12 VAL 7 HG12 VAL 7 -0.019 0.914 -13.746 50 HG13 VAL 7 HG13 VAL 7 0.472 1.675 -12.232 51 HG21 VAL 7 HG21 VAL 7 -1.683 3.083 -12.581 52 HG22 VAL 7 HG22 VAL 7 -2.156 2.100 -13.967 53 HG23 VAL 7 HG23 VAL 7 -3.236 2.248 -12.580 54 H LYS 8 H LYS 8 -4.065 0.363 -14.324 55 HA LYS 8 HA LYS 8 -2.446 0.107 -16.672 56 HB2 LYS 8 HB2 LYS 8 -3.966 -2.177 -15.772 57 HB3 LYS 8 HB3 LYS 8 -4.563 -1.620 -17.330 58 HG2 LYS 8 HG2 LYS 8 -2.844 -2.542 -18.372 59 HG3 LYS 8 HG3 LYS 8 -1.700 -1.662 -17.356 60 HD2 LYS 8 HD2 LYS 8 -1.987 -3.404 -15.612 61 HD3 LYS 8 HD3 LYS 8 -3.018 -4.303 -16.727 62 HE2 LYS 8 HE2 LYS 8 -1.263 -4.846 -18.121 63 HE3 LYS 8 HE3 LYS 8 -0.290 -3.470 -17.604 64 HZ1 LYS 8 HZ1 LYS 8 0.775 -4.885 -16.291 65 HZ2 LYS 8 HZ2 LYS 8 -0.340 -6.123 -16.578 66 HZ3 LYS 8 HZ3 LYS 8 -0.626 -4.997 -15.349 67 H GLU 9 H GLU 9 -3.890 0.349 -18.695 68 HA GLU 9 HA GLU 9 -6.286 1.934 -18.106 69 HB2 GLU 9 HB2 GLU 9 -5.609 3.699 -19.619 70 HB3 GLU 9 HB3 GLU 9 -4.385 3.494 -18.373 71 HG2 GLU 9 HG2 GLU 9 -2.811 3.052 -19.869 72 HG3 GLU 9 HG3 GLU 9 -3.821 1.859 -20.685 73 H ILE 10 H ILE 10 -6.963 2.729 -20.615 74 HA ILE 10 HA ILE 10 -7.669 0.189 -21.850 75 HB ILE 10 HB ILE 10 -8.596 2.945 -22.653 76 HG12 ILE 10 HG12 ILE 10 -10.613 1.497 -21.259 77 HG13 ILE 10 HG13 ILE 10 -9.161 1.484 -20.263 78 HG21 ILE 10 HG21 ILE 10 -10.587 1.501 -23.433 79 HG22 ILE 10 HG22 ILE 10 -9.112 1.503 -24.398 80 HG23 ILE 10 HG23 ILE 10 -9.454 0.154 -23.315 81 HD11 ILE 10 HD11 ILE 10 -10.715 3.368 -19.812 82 HD12 ILE 10 HD12 ILE 10 -9.077 3.865 -20.240 83 HD13 ILE 10 HD13 ILE 10 -10.372 3.974 -21.432 84 H GLY 11 H GLY 11 -5.190 0.186 -22.380 85 HA2 GLY 11 HA2 GLY 11 -4.578 1.709 -24.795 86 HA3 GLY 11 HA3 GLY 11 -3.456 0.710 -23.882 87 H ARG 12 H ARG 12 -5.820 0.795 -26.414 88 HA ARG 12 HA ARG 12 -4.904 -1.838 -27.303 89 HB2 ARG 12 HB2 ARG 12 -7.787 -1.035 -26.912 90 HB3 ARG 12 HB3 ARG 12 -7.301 -2.380 -27.936 91 HG2 ARG 12 HG2 ARG 12 -6.168 -3.378 -25.942 92 HG3 ARG 12 HG3 ARG 12 -6.907 -2.105 -24.969 93 HD2 ARG 12 HD2 ARG 12 -9.040 -3.075 -26.384 94 HD3 ARG 12 HD3 ARG 12 -8.082 -4.529 -26.107 95 HE ARG 12 HE ARG 12 -8.204 -3.257 -23.675 96 HH11 ARG 12 HH11 ARG 12 -10.497 -4.533 -25.963 97 HH12 ARG 12 HH12 ARG 12 -11.680 -4.922 -24.758 98 HH21 ARG 12 HH21 ARG 12 -9.753 -3.765 -22.080 99 HH22 ARG 12 HH22 ARG 12 -11.256 -4.484 -22.550 100 H SER 13 H SER 13 -3.784 0.047 -28.550 101 HA SER 13 HA SER 13 -5.029 0.135 -31.153 102 HB2 SER 13 HB2 SER 13 -5.348 2.346 -29.398 103 HB3 SER 13 HB3 SER 13 -4.207 2.831 -30.652 104 HG SER 13 HG SER 13 -5.751 2.168 -32.203 105 H SER 14 H SER 14 -3.481 1.867 -32.483 106 HA SER 14 HA SER 14 -0.727 0.984 -31.912 107 HB2 SER 14 HB2 SER 14 -2.262 1.053 -34.486 108 HB3 SER 14 HB3 SER 14 -0.511 1.257 -34.515 109 HG SER 14 HG SER 14 -1.442 -0.971 -34.671 110 H LYS 15 H LYS 15 -2.004 3.427 -31.043 111 HA LYS 15 HA LYS 15 -1.255 5.603 -32.700 112 HB2 LYS 15 HB2 LYS 15 -1.875 7.001 -30.904 113 HB3 LYS 15 HB3 LYS 15 -2.945 5.611 -30.792 114 HG2 LYS 15 HG2 LYS 15 -0.405 5.728 -29.214 115 HG3 LYS 15 HG3 LYS 15 -1.876 6.521 -28.644 116 HD2 LYS 15 HD2 LYS 15 -2.418 4.552 -27.740 117 HD3 LYS 15 HD3 LYS 15 -2.747 4.009 -29.387 118 HE2 LYS 15 HE2 LYS 15 -1.273 2.454 -28.213 119 HE3 LYS 15 HE3 LYS 15 -0.457 3.199 -29.587 120 HZ1 LYS 15 HZ1 LYS 15 1.061 4.102 -28.260 121 HZ2 LYS 15 HZ2 LYS 15 0.479 3.095 -27.032 122 HZ3 LYS 15 HZ3 LYS 15 -0.095 4.681 -27.168 123 H ILE 16 H ILE 16 0.517 6.965 -32.615 124 HA ILE 16 HA ILE 16 2.600 6.720 -30.701 125 HB ILE 16 HB ILE 16 4.215 6.070 -32.784 126 HG12 ILE 16 HG12 ILE 16 1.832 4.228 -33.033 127 HG13 ILE 16 HG13 ILE 16 2.147 5.557 -34.144 128 HG21 ILE 16 HG21 ILE 16 4.857 4.760 -31.109 129 HG22 ILE 16 HG22 ILE 16 3.261 4.842 -30.366 130 HG23 ILE 16 HG23 ILE 16 3.602 3.618 -31.589 131 HD11 ILE 16 HD11 ILE 16 3.113 3.867 -35.300 132 HD12 ILE 16 HD12 ILE 16 4.496 4.352 -34.320 133 HD13 ILE 16 HD13 ILE 16 3.527 2.957 -33.848 134 H ILE 17 H ILE 17 4.648 7.903 -31.556 135 HA ILE 17 HA ILE 17 3.747 10.212 -33.151 136 HB ILE 17 HB ILE 17 5.365 11.580 -31.918 137 HG12 ILE 17 HG12 ILE 17 6.748 9.410 -31.359 138 HG13 ILE 17 HG13 ILE 17 6.769 10.787 -30.263 139 HG21 ILE 17 HG21 ILE 17 3.281 11.810 -30.979 140 HG22 ILE 17 HG22 ILE 17 3.202 10.122 -30.476 141 HG23 ILE 17 HG23 ILE 17 4.216 11.260 -29.589 142 HD11 ILE 17 HD11 ILE 17 4.706 8.713 -29.813 143 HD12 ILE 17 HD12 ILE 17 6.379 8.315 -29.420 144 HD13 ILE 17 HD13 ILE 17 5.598 9.700 -28.656 145 H LEU 18 H LEU 18 5.542 11.388 -34.260 146 HA LEU 18 HA LEU 18 7.651 9.540 -35.158 147 HB2 LEU 18 HB2 LEU 18 5.707 9.917 -36.772 148 HB3 LEU 18 HB3 LEU 18 6.332 11.556 -36.953 149 HG LEU 18 HG LEU 18 7.861 9.037 -37.607 150 HD11 LEU 18 HD11 LEU 18 6.839 9.017 -39.571 151 HD12 LEU 18 HD12 LEU 18 7.346 10.680 -39.867 152 HD13 LEU 18 HD13 LEU 18 5.814 10.356 -39.054 153 HD21 LEU 18 HD21 LEU 18 9.128 10.988 -38.917 154 HD22 LEU 18 HD22 LEU 18 9.558 10.503 -37.277 155 HD23 LEU 18 HD23 LEU 18 8.537 11.918 -37.540 156 HA PRO 19 HA PRO 19 10.007 13.082 -33.687 157 HB2 PRO 19 HB2 PRO 19 12.395 11.791 -33.727 158 HB3 PRO 19 HB3 PRO 19 11.221 11.599 -32.420 159 HG2 PRO 19 HG2 PRO 19 11.748 9.821 -34.770 160 HG3 PRO 19 HG3 PRO 19 11.464 9.381 -33.076 161 HD2 PRO 19 HD2 PRO 19 9.532 9.218 -34.965 162 HD3 PRO 19 HD3 PRO 19 9.178 9.603 -33.269 163 H ALA 20 H ALA 20 11.114 14.629 -34.774 164 HA ALA 20 HA ALA 20 12.802 14.169 -36.988 165 HB1 ALA 20 HB1 ALA 20 9.944 14.750 -37.568 166 HB2 ALA 20 HB2 ALA 20 11.177 15.494 -38.587 167 HB3 ALA 20 HB3 ALA 20 11.094 13.738 -38.443 168 H CYS 21 H CYS 21 10.403 16.758 -36.637 169 HA CYS 21 HA CYS 21 12.536 18.560 -35.722 170 HB2 CYS 21 HB2 CYS 21 11.555 20.329 -37.226 171 HB3 CYS 21 HB3 CYS 21 12.381 19.018 -38.062 172 H MET 22 H MET 22 9.069 17.987 -36.096 173 HA MET 22 HA MET 22 8.613 19.702 -33.743 174 HB2 MET 22 HB2 MET 22 7.397 19.769 -36.348 175 HB3 MET 22 HB3 MET 22 6.177 19.398 -35.137 176 HG2 MET 22 HG2 MET 22 7.993 21.588 -34.427 177 HG3 MET 22 HG3 MET 22 6.966 21.892 -35.827 178 HE1 MET 22 HE1 MET 22 5.005 22.748 -35.839 179 HE2 MET 22 HE2 MET 22 3.864 21.499 -35.341 180 HE3 MET 22 HE3 MET 22 3.881 23.059 -34.516 181 H HIS 23 H HIS 23 6.110 19.066 -33.045 182 HA HIS 23 HA HIS 23 6.371 16.263 -32.239 183 HB2 HIS 23 HB2 HIS 23 4.853 18.608 -31.123 184 HB3 HIS 23 HB3 HIS 23 4.461 16.960 -30.641 185 HD1 HIS 23 HD1 HIS 23 5.824 15.990 -28.795 186 HD2 HIS 23 HD2 HIS 23 7.617 19.337 -30.481 187 HE1 HIS 23 HE1 HIS 23 7.825 16.479 -27.352 188 H GLU 24 H GLU 24 5.382 14.870 -33.547 189 HA GLU 24 HA GLU 24 2.682 15.552 -34.512 190 HB2 GLU 24 HB2 GLU 24 3.185 14.068 -36.474 191 HB3 GLU 24 HB3 GLU 24 4.121 15.555 -36.418 192 HG2 GLU 24 HG2 GLU 24 5.913 14.112 -35.251 193 HG3 GLU 24 HG3 GLU 24 5.011 12.749 -35.909 194 H THR 25 H THR 25 1.340 13.610 -35.014 195 HA THR 25 HA THR 25 2.035 11.183 -33.576 196 HB THR 25 HB THR 25 -0.604 12.414 -32.868 197 HG1 THR 25 HG1 THR 25 1.928 13.011 -31.724 198 HG21 THR 25 HG21 THR 25 -0.451 10.183 -32.173 199 HG22 THR 25 HG22 THR 25 -0.033 11.104 -30.728 200 HG23 THR 25 HG23 THR 25 1.237 10.353 -31.694 201 H CYS 26 H CYS 26 0.347 9.483 -33.861 202 HA CYS 26 HA CYS 26 -1.570 9.858 -35.984 203 HB2 CYS 26 HB2 CYS 26 0.783 9.400 -37.013 204 HB3 CYS 26 HB3 CYS 26 0.503 7.745 -36.482 205 H SER 27 H SER 27 -3.137 8.268 -36.033 206 HA SER 27 HA SER 27 -2.875 5.767 -34.700 207 HB2 SER 27 HB2 SER 27 -3.073 7.391 -32.765 208 HB3 SER 27 HB3 SER 27 -4.704 7.747 -33.333 209 HG SER 27 HG SER 27 -5.119 5.457 -33.119 210 H GLY 28 H GLY 28 -4.088 4.468 -35.896 211 HA2 GLY 28 HA2 GLY 28 -6.744 5.411 -36.750 212 HA3 GLY 28 HA3 GLY 28 -5.644 4.717 -37.931 213 H GLY 29 H GLY 29 -6.972 3.923 -34.713 214 HA2 GLY 29 HA2 GLY 29 -7.649 1.261 -35.762 215 HA3 GLY 29 HA3 GLY 29 -6.695 1.382 -34.291 216 H PHE 30 H PHE 30 -7.978 3.556 -33.082 217 HA PHE 30 HA PHE 30 -10.801 2.962 -32.910 218 HB2 PHE 30 HB2 PHE 30 -9.824 1.227 -31.461 219 HB3 PHE 30 HB3 PHE 30 -8.999 2.473 -30.529 220 HD1 PHE 30 HD1 PHE 30 -12.325 1.150 -31.448 221 HD2 PHE 30 HD2 PHE 30 -10.095 3.621 -28.796 222 HE1 PHE 30 HE1 PHE 30 -14.293 1.349 -29.985 223 HE2 PHE 30 HE2 PHE 30 -12.058 3.824 -27.328 224 HZ PHE 30 HZ PHE 30 -14.161 2.687 -27.921 225 H SER 31 H SER 31 -8.018 4.655 -31.536 226 HA SER 31 HA SER 31 -9.569 6.716 -30.312 227 HB2 SER 31 HB2 SER 31 -6.632 6.430 -30.938 228 HB3 SER 31 HB3 SER 31 -7.294 7.889 -30.202 229 HG SER 31 HG SER 31 -6.539 5.770 -28.941 230 H LEU 32 H LEU 32 -7.878 6.366 -33.384 231 HA LEU 32 HA LEU 32 -7.865 7.612 -35.287 232 HB2 LEU 32 HB2 LEU 32 -10.171 7.159 -35.436 233 HB3 LEU 32 HB3 LEU 32 -10.556 8.288 -34.139 234 HG LEU 32 HG LEU 32 -10.080 10.168 -35.592 235 HD11 LEU 32 HD11 LEU 32 -8.374 9.555 -37.018 236 HD12 LEU 32 HD12 LEU 32 -9.771 9.539 -38.094 237 HD13 LEU 32 HD13 LEU 32 -9.139 8.025 -37.448 238 HD21 LEU 32 HD21 LEU 32 -11.791 8.380 -37.262 239 HD22 LEU 32 HD22 LEU 32 -12.020 10.075 -36.833 240 HD23 LEU 32 HD23 LEU 32 -12.306 8.815 -35.632 241 H LYS 33 H LYS 33 -6.144 8.963 -34.879 242 HA LYS 33 HA LYS 33 -6.700 11.738 -34.742 243 HB2 LYS 33 HB2 LYS 33 -5.610 12.283 -32.636 244 HB3 LYS 33 HB3 LYS 33 -6.979 11.215 -32.351 245 HG2 LYS 33 HG2 LYS 33 -5.691 9.655 -31.431 246 HG3 LYS 33 HG3 LYS 33 -4.508 9.747 -32.738 247 HD2 LYS 33 HD2 LYS 33 -3.393 10.365 -30.725 248 HD3 LYS 33 HD3 LYS 33 -3.629 11.839 -31.667 249 HE2 LYS 33 HE2 LYS 33 -5.218 12.665 -30.227 250 HE3 LYS 33 HE3 LYS 33 -5.696 11.063 -29.665 251 HZ1 LYS 33 HZ1 LYS 33 -3.635 12.826 -28.672 252 HZ2 LYS 33 HZ2 LYS 33 -3.152 11.212 -28.824 253 HZ3 LYS 33 HZ3 LYS 33 -4.495 11.607 -27.874 254 H ASN 34 H ASN 34 -4.729 13.055 -34.871 255 HA ASN 34 HA ASN 34 -2.168 11.875 -35.143 256 HB2 ASN 34 HB2 ASN 34 -1.994 12.403 -37.656 257 HB3 ASN 34 HB3 ASN 34 -2.834 10.927 -37.190 258 HD21 ASN 34 HD21 ASN 34 -5.092 10.844 -37.343 259 HD22 ASN 34 HD22 ASN 34 -5.969 11.946 -38.344 260 H ASP 35 H ASP 35 -0.673 13.416 -34.882 261 HA ASP 35 HA ASP 35 -1.554 16.207 -35.034 262 HB2 ASP 35 HB2 ASP 35 0.305 14.709 -33.329 263 HB3 ASP 35 HB3 ASP 35 0.938 16.258 -33.878 264 H CYS 36 H CYS 36 -0.866 17.509 -36.597 265 HA CYS 36 HA CYS 36 0.640 16.647 -38.773 266 HB2 CYS 36 HB2 CYS 36 -0.025 19.405 -37.753 267 HB3 CYS 36 HB3 CYS 36 0.892 19.155 -39.235 268 H TRP 37 H TRP 37 2.620 18.228 -39.452 269 HA TRP 37 HA TRP 37 4.599 18.001 -37.279 270 HB2 TRP 37 HB2 TRP 37 6.276 17.624 -39.155 271 HB3 TRP 37 HB3 TRP 37 5.152 16.305 -38.842 272 HD1 TRP 37 HD1 TRP 37 2.968 16.216 -40.604 273 HE1 TRP 37 HE1 TRP 37 2.949 16.684 -43.134 274 HE3 TRP 37 HE3 TRP 37 7.307 18.895 -40.965 275 HZ2 TRP 37 HZ2 TRP 37 4.561 18.013 -45.033 276 HZ3 TRP 37 HZ3 TRP 37 7.998 19.729 -43.175 277 HH2 TRP 37 HH2 TRP 37 6.652 19.295 -45.165 278 H CYS 38 H CYS 38 6.697 19.299 -38.097 279 HA CYS 38 HA CYS 38 6.063 22.005 -37.885 280 HB2 CYS 38 HB2 CYS 38 8.455 22.376 -38.618 281 HB3 CYS 38 HB3 CYS 38 8.246 21.294 -37.245 282 H CYS 39 H CYS 39 7.290 23.530 -39.663 283 HA CYS 39 HA CYS 39 5.657 23.193 -42.053 284 HB2 CYS 39 HB2 CYS 39 7.370 25.524 -41.167 285 HB3 CYS 39 HB3 CYS 39 6.280 25.519 -42.549 286 H LEU 40 H LEU 40 7.053 24.507 -43.969 287 HA LEU 40 HA LEU 40 8.642 22.592 -45.130 288 HB2 LEU 40 HB2 LEU 40 7.667 24.883 -45.997 289 HB3 LEU 40 HB3 LEU 40 9.294 25.454 -45.632 290 HG LEU 40 HG LEU 40 8.542 23.282 -47.585 291 HD11 LEU 40 HD11 LEU 40 8.878 26.137 -47.802 292 HD12 LEU 40 HD12 LEU 40 8.311 24.975 -49.002 293 HD13 LEU 40 HD13 LEU 40 10.038 25.280 -48.817 294 HD21 LEU 40 HD21 LEU 40 11.113 23.719 -48.101 295 HD22 LEU 40 HD22 LEU 40 10.577 22.500 -46.944 296 HD23 LEU 40 HD23 LEU 40 11.128 24.076 -46.374 297 H ARG 41 H ARG 41 9.824 25.529 -43.482 298 HA ARG 41 HA ARG 41 11.941 24.160 -42.182 299 HB2 ARG 41 HB2 ARG 41 13.825 24.803 -43.399 300 HB3 ARG 41 HB3 ARG 41 12.686 24.319 -44.648 301 HG2 ARG 41 HG2 ARG 41 13.210 27.155 -43.784 302 HG3 ARG 41 HG3 ARG 41 13.889 26.378 -45.216 303 HD2 ARG 41 HD2 ARG 41 11.239 25.886 -45.550 304 HD3 ARG 41 HD3 ARG 41 11.195 27.450 -44.736 305 HE ARG 41 HE ARG 41 12.028 26.931 -47.420 306 HH11 ARG 41 HH11 ARG 41 12.492 29.029 -44.680 307 HH12 ARG 41 HH12 ARG 41 13.023 30.373 -45.635 308 HH21 ARG 41 HH21 ARG 41 12.727 28.694 -48.687 309 HH22 ARG 41 HH22 ARG 41 13.156 30.182 -47.914 310 H LEU 42 H LEU 42 12.738 25.359 -40.527 311 HA LEU 42 HA LEU 42 12.009 28.213 -40.459 312 HB2 LEU 42 HB2 LEU 42 11.499 28.048 -38.138 313 HB3 LEU 42 HB3 LEU 42 10.594 26.798 -38.990 314 HG LEU 42 HG LEU 42 13.180 25.936 -37.878 315 HD11 LEU 42 HD11 LEU 42 11.435 25.741 -35.705 316 HD12 LEU 42 HD12 LEU 42 11.334 27.416 -36.246 317 HD13 LEU 42 HD13 LEU 42 12.897 26.719 -35.823 318 HD21 LEU 42 HD21 LEU 42 10.472 24.884 -38.388 319 HD22 LEU 42 HD22 LEU 42 11.314 24.215 -36.990 320 HD23 LEU 42 HD23 LEU 42 12.048 24.118 -38.591 321 H LYS 43 H LYS 43 13.297 29.398 -38.708 322 HA LYS 43 HA LYS 43 16.052 28.375 -38.576 323 HB2 LYS 43 HB2 LYS 43 15.323 31.253 -39.142 324 HB3 LYS 43 HB3 LYS 43 16.940 30.561 -39.097 325 HG2 LYS 43 HG2 LYS 43 16.667 29.466 -41.122 326 HG3 LYS 43 HG3 LYS 43 14.906 29.541 -41.037 327 HD2 LYS 43 HD2 LYS 43 15.135 31.259 -42.469 328 HD3 LYS 43 HD3 LYS 43 15.551 32.182 -41.023 329 HE2 LYS 43 HE2 LYS 43 17.931 31.676 -41.422 330 HE3 LYS 43 HE3 LYS 43 17.485 30.822 -42.898 331 HZ1 LYS 43 HZ1 LYS 43 17.203 32.728 -44.008 332 HZ2 LYS 43 HZ2 LYS 43 18.147 33.417 -42.786 333 HZ3 LYS 43 HZ3 LYS 43 16.461 33.516 -42.708 334 H THR 44 H THR 44 13.460 29.142 -36.835 335 HA THR 44 HA THR 44 14.862 29.378 -34.396 336 HB THR 44 HB THR 44 15.320 31.642 -34.862 337 HG1 THR 44 HG1 THR 44 14.358 31.333 -32.792 338 HG21 THR 44 HG21 THR 44 13.783 31.845 -36.797 339 HG22 THR 44 HG22 THR 44 13.707 33.234 -35.713 340 HG23 THR 44 HG23 THR 44 12.435 32.013 -35.673 341 H LYS 45 H LYS 45 11.823 30.208 -36.035 342 HA LYS 45 HA LYS 45 10.292 28.351 -34.579 343 HB2 LYS 45 HB2 LYS 45 9.067 29.700 -33.063 344 HB3 LYS 45 HB3 LYS 45 10.761 30.084 -32.789 345 HG2 LYS 45 HG2 LYS 45 9.943 32.190 -32.837 346 HG3 LYS 45 HG3 LYS 45 10.209 31.981 -34.570 347 HD2 LYS 45 HD2 LYS 45 8.027 32.141 -35.005 348 HD3 LYS 45 HD3 LYS 45 7.623 30.963 -33.754 349 HE2 LYS 45 HE2 LYS 45 7.525 32.625 -32.083 350 HE3 LYS 45 HE3 LYS 45 8.322 33.815 -33.111 351 HZ1 LYS 45 HZ1 LYS 45 6.405 34.009 -34.451 352 HZ2 LYS 45 HZ2 LYS 45 5.863 34.088 -32.851 353 HZ3 LYS 45 HZ3 LYS 45 5.665 32.663 -33.741 354 H GLN 46 H GLN 46 10.422 31.313 -36.445 355 HA GLN 46 HA GLN 46 7.913 31.772 -37.293 356 HB2 GLN 46 HB2 GLN 46 9.095 31.982 -39.684 357 HB3 GLN 46 HB3 GLN 46 9.348 33.152 -38.395 358 HG2 GLN 46 HG2 GLN 46 11.486 32.519 -38.047 359 HG3 GLN 46 HG3 GLN 46 11.164 30.828 -38.431 360 HE21 GLN 46 HE21 GLN 46 10.379 30.654 -40.861 361 HE22 GLN 46 HE22 GLN 46 11.449 31.404 -41.991 362 H ALA 47 H ALA 47 9.974 29.627 -39.253 363 HA ALA 47 HA ALA 47 9.518 27.733 -40.431 364 HB1 ALA 47 HB1 ALA 47 8.315 26.122 -39.391 365 HB2 ALA 47 HB2 ALA 47 8.414 27.257 -38.044 366 HB3 ALA 47 HB3 ALA 47 6.962 27.199 -39.044 367 H ARG 48 H ARG 48 8.996 28.126 -42.480 368 HA ARG 48 HA ARG 48 6.467 29.442 -43.112 369 HB2 ARG 48 HB2 ARG 48 8.858 28.766 -44.833 370 HB3 ARG 48 HB3 ARG 48 7.410 29.574 -45.418 371 HG2 ARG 48 HG2 ARG 48 9.138 30.654 -43.207 372 HG3 ARG 48 HG3 ARG 48 9.336 31.080 -44.908 373 HD2 ARG 48 HD2 ARG 48 7.954 32.775 -44.323 374 HD3 ARG 48 HD3 ARG 48 6.719 31.559 -44.649 375 HE ARG 48 HE ARG 48 7.616 31.527 -41.932 376 HH11 ARG 48 HH11 ARG 48 5.473 33.089 -44.187 377 HH12 ARG 48 HH12 ARG 48 4.356 33.607 -42.968 378 HH21 ARG 48 HH21 ARG 48 6.153 32.203 -40.318 379 HH22 ARG 48 HH22 ARG 48 4.745 33.104 -40.767 380 H CYS 49 H CYS 49 4.740 28.298 -43.653 381 HA CYS 49 HA CYS 49 5.113 25.719 -45.016 382 HB2 CYS 49 HB2 CYS 49 2.817 25.300 -43.596 383 HB3 CYS 49 HB3 CYS 49 4.413 24.740 -43.107 384 H TRP 50 H TRP 50 2.707 24.959 -45.671 385 HA TRP 50 HA TRP 50 1.587 27.232 -47.170 386 HB2 TRP 50 HB2 TRP 50 0.616 25.290 -48.606 387 HB3 TRP 50 HB3 TRP 50 2.315 25.718 -48.782 388 HD1 TRP 50 HD1 TRP 50 0.058 22.865 -47.839 389 HE1 TRP 50 HE1 TRP 50 1.475 20.792 -47.275 390 HE3 TRP 50 HE3 TRP 50 4.674 25.057 -47.680 391 HZ2 TRP 50 HZ2 TRP 50 4.191 20.168 -46.822 392 HZ3 TRP 50 HZ3 TRP 50 6.629 23.652 -47.174 393 HH2 TRP 50 HH2 TRP 50 6.391 21.259 -46.754 394 H LYS 51 H LYS 51 -0.558 27.690 -47.069 395 HA LYS 51 HA LYS 51 -2.032 26.721 -44.837 396 HB2 LYS 51 HB2 LYS 51 -3.141 28.295 -47.161 397 HB3 LYS 51 HB3 LYS 51 -3.753 28.235 -45.513 398 HG2 LYS 51 HG2 LYS 51 -2.576 30.054 -45.070 399 HG3 LYS 51 HG3 LYS 51 -1.102 29.111 -45.307 400 HD2 LYS 51 HD2 LYS 51 -1.018 29.708 -47.626 401 HD3 LYS 51 HD3 LYS 51 -2.608 30.471 -47.538 402 HE2 LYS 51 HE2 LYS 51 -1.613 32.050 -45.835 403 HE3 LYS 51 HE3 LYS 51 -0.037 31.387 -46.266 404 HZ1 LYS 51 HZ1 LYS 51 -0.769 33.486 -47.450 405 HZ2 LYS 51 HZ2 LYS 51 -1.863 32.516 -48.300 406 HZ3 LYS 51 HZ3 LYS 51 -0.202 32.226 -48.426 407 H GLU 52 H GLU 52 -3.322 25.009 -44.693 408 HA GLU 52 HA GLU 52 -3.657 23.179 -46.802 409 HB2 GLU 52 HB2 GLU 52 -3.739 22.429 -44.511 410 HB3 GLU 52 HB3 GLU 52 -5.125 23.458 -44.178 411 HG2 GLU 52 HG2 GLU 52 -6.569 22.116 -45.444 412 HG3 GLU 52 HG3 GLU 52 -5.233 21.273 -46.227 413 H LYS 53 H LYS 53 -5.291 26.061 -46.087 414 HA LYS 53 HA LYS 53 -7.837 25.355 -47.207 415 HB2 LYS 53 HB2 LYS 53 -8.302 27.779 -47.075 416 HB3 LYS 53 HB3 LYS 53 -7.708 27.125 -45.555 417 HG2 LYS 53 HG2 LYS 53 -5.388 27.926 -46.647 418 HG3 LYS 53 HG3 LYS 53 -6.493 29.093 -47.377 419 HD2 LYS 53 HD2 LYS 53 -7.388 29.330 -44.930 420 HD3 LYS 53 HD3 LYS 53 -5.812 28.661 -44.500 421 HE2 LYS 53 HE2 LYS 53 -4.677 30.458 -45.598 422 HE3 LYS 53 HE3 LYS 53 -6.185 31.058 -46.287 423 HZ1 LYS 53 HZ1 LYS 53 -5.084 31.439 -43.640 424 HZ2 LYS 53 HZ2 LYS 53 -6.738 31.086 -43.668 425 HZ3 LYS 53 HZ3 LYS 53 -6.143 32.418 -44.525 426 H GLU 54 H GLU 54 -4.915 26.962 -48.357 427 HA GLU 54 HA GLU 54 -6.104 27.179 -51.033 428 HB2 GLU 54 HB2 GLU 54 -3.674 28.488 -49.808 429 HB3 GLU 54 HB3 GLU 54 -4.092 28.621 -51.510 430 HG2 GLU 54 HG2 GLU 54 -6.399 29.427 -50.528 431 HG3 GLU 54 HG3 GLU 54 -5.398 29.827 -49.134 432 H PHE 55 H PHE 55 -4.109 25.201 -49.222 433 HA PHE 55 HA PHE 55 -2.991 24.012 -51.667 434 HB2 PHE 55 HB2 PHE 55 -1.564 24.958 -49.262 435 HB3 PHE 55 HB3 PHE 55 -1.098 23.357 -49.828 436 HD1 PHE 55 HD1 PHE 55 -1.672 26.808 -51.111 437 HD2 PHE 55 HD2 PHE 55 0.528 23.180 -51.447 438 HE1 PHE 55 HE1 PHE 55 -0.240 27.839 -52.826 439 HE2 PHE 55 HE2 PHE 55 1.963 24.205 -53.162 440 HZ PHE 55 HZ PHE 55 1.581 26.537 -53.853 441 HA PRO 56 HA PRO 56 -5.207 20.566 -49.863 442 HB2 PRO 56 HB2 PRO 56 -4.834 18.903 -51.976 443 HB3 PRO 56 HB3 PRO 56 -6.048 20.187 -51.967 444 HG2 PRO 56 HG2 PRO 56 -3.319 20.169 -53.197 445 HG3 PRO 56 HG3 PRO 56 -4.843 20.781 -53.865 446 HD2 PRO 56 HD2 PRO 56 -2.977 22.407 -52.766 447 HD3 PRO 56 HD3 PRO 56 -4.716 22.754 -52.680 448 H ASN 57 H ASN 57 -1.950 20.557 -51.163 449 HA ASN 57 HA ASN 57 -1.127 17.996 -50.459 450 HB2 ASN 57 HB2 ASN 57 0.126 20.474 -51.249 451 HB3 ASN 57 HB3 ASN 57 1.074 19.685 -49.991 452 HD21 ASN 57 HD21 ASN 57 0.819 17.080 -50.481 453 HD22 ASN 57 HD22 ASN 57 1.432 16.676 -52.046 454 H ALA 58 H ALA 58 -1.405 20.909 -48.512 455 HA ALA 58 HA ALA 58 0.005 20.114 -46.247 456 HB1 ALA 58 HB1 ALA 58 -0.561 22.227 -45.825 457 HB2 ALA 58 HB2 ALA 58 -1.949 22.155 -46.911 458 HB3 ALA 58 HB3 ALA 58 -2.102 21.592 -45.247 459 H LYS 59 H LYS 59 -3.428 19.638 -47.038 460 HA LYS 59 HA LYS 59 -4.091 18.281 -44.650 461 HB2 LYS 59 HB2 LYS 59 -5.659 19.354 -46.378 462 HB3 LYS 59 HB3 LYS 59 -5.477 17.862 -47.291 463 HG2 LYS 59 HG2 LYS 59 -6.147 17.372 -44.512 464 HG3 LYS 59 HG3 LYS 59 -7.349 18.371 -45.333 465 HD2 LYS 59 HD2 LYS 59 -8.161 16.326 -45.908 466 HD3 LYS 59 HD3 LYS 59 -6.998 16.522 -47.222 467 HE2 LYS 59 HE2 LYS 59 -5.500 15.035 -46.293 468 HE3 LYS 59 HE3 LYS 59 -6.120 15.268 -44.660 469 HZ1 LYS 59 HZ1 LYS 59 -7.759 13.981 -46.753 470 HZ2 LYS 59 HZ2 LYS 59 -7.935 13.895 -45.074 471 HZ3 LYS 59 HZ3 LYS 59 -6.655 13.089 -45.832 472 H GLU 60 H GLU 60 -3.086 17.141 -47.849 473 HA GLU 60 HA GLU 60 -3.429 14.401 -47.430 474 HB2 GLU 60 HB2 GLU 60 -2.256 16.081 -49.412 475 HB3 GLU 60 HB3 GLU 60 -1.110 14.801 -49.036 476 HG2 GLU 60 HG2 GLU 60 -3.914 13.979 -49.450 477 HG3 GLU 60 HG3 GLU 60 -3.039 14.560 -50.866 478 H LEU 61 H LEU 61 -0.691 16.513 -46.699 479 HA LEU 61 HA LEU 61 1.018 14.413 -45.806 480 HB2 LEU 61 HB2 LEU 61 1.146 17.357 -45.177 481 HB3 LEU 61 HB3 LEU 61 2.448 16.187 -44.972 482 HG LEU 61 HG LEU 61 1.316 16.567 -47.698 483 HD11 LEU 61 HD11 LEU 61 1.739 18.746 -47.742 484 HD12 LEU 61 HD12 LEU 61 3.444 18.350 -47.530 485 HD13 LEU 61 HD13 LEU 61 2.441 18.707 -46.124 486 HD21 LEU 61 HD21 LEU 61 3.688 16.197 -48.295 487 HD22 LEU 61 HD22 LEU 61 2.996 14.872 -47.358 488 HD23 LEU 61 HD23 LEU 61 4.067 16.039 -46.580 489 H CYS 62 H CYS 62 -1.277 16.572 -44.252 490 HA CYS 62 HA CYS 62 -0.558 15.984 -41.579 491 HB2 CYS 62 HB2 CYS 62 -2.578 17.522 -42.945 492 HB3 CYS 62 HB3 CYS 62 -3.304 16.609 -41.627 493 H PHE 63 H PHE 63 -2.954 14.599 -43.786 494 HA PHE 63 HA PHE 63 -3.995 12.766 -41.854 495 HB2 PHE 63 HB2 PHE 63 -4.679 13.615 -44.472 496 HB3 PHE 63 HB3 PHE 63 -4.475 11.867 -44.531 497 HD1 PHE 63 HD2 PHE 63 -6.091 14.477 -42.412 498 HD2 PHE 63 HD1 PHE 63 -6.285 10.547 -44.036 499 HE1 PHE 63 HE2 PHE 63 -8.331 14.188 -41.436 500 HE2 PHE 63 HE1 PHE 63 -8.526 10.252 -43.064 501 HZ PHE 63 HZ PHE 63 -9.551 12.073 -41.761 502 H ALA 64 H ALA 64 -1.695 12.534 -44.534 503 HA ALA 64 HA ALA 64 -1.242 9.731 -44.206 504 HB1 ALA 64 HB1 ALA 64 0.643 11.626 -45.573 505 HB2 ALA 64 HB2 ALA 64 0.344 9.922 -45.919 506 HB3 ALA 64 HB3 ALA 64 -0.880 11.130 -46.312 507 H ASN 65 H ASN 65 -0.052 12.565 -42.674 508 HA ASN 65 HA ASN 65 2.502 11.887 -41.894 509 HB2 ASN 65 HB2 ASN 65 1.939 14.012 -41.216 510 HB3 ASN 65 HB3 ASN 65 0.332 13.532 -40.678 511 HD21 ASN 65 HD21 ASN 65 0.006 13.119 -38.586 512 HD22 ASN 65 HD22 ASN 65 1.243 13.081 -37.380 513 H CYS 66 H CYS 66 3.045 9.900 -41.221 514 HA CYS 66 HA CYS 66 1.888 8.951 -38.718 515 HB2 CYS 66 HB2 CYS 66 1.372 7.740 -41.300 516 HB3 CYS 66 HB3 CYS 66 2.186 6.611 -40.222 517 HA PRO 67 HA PRO 67 6.072 7.970 -37.801 518 HB2 PRO 67 HB2 PRO 67 5.709 6.021 -35.947 519 HB3 PRO 67 HB3 PRO 67 5.393 7.729 -35.619 520 HG2 PRO 67 HG2 PRO 67 3.468 5.547 -36.323 521 HG3 PRO 67 HG3 PRO 67 3.313 6.826 -35.104 522 HD2 PRO 67 HD2 PRO 67 2.108 6.968 -37.524 523 HD3 PRO 67 HD3 PRO 67 2.685 8.407 -36.659 524 HA PRO 68 HA PRO 68 7.469 4.446 -40.029 525 HB2 PRO 68 HB2 PRO 68 9.562 3.574 -38.536 526 HB3 PRO 68 HB3 PRO 68 9.617 5.060 -39.491 527 HG2 PRO 68 HG2 PRO 68 9.122 4.709 -36.559 528 HG3 PRO 68 HG3 PRO 68 10.130 5.910 -37.388 529 HD2 PRO 68 HD2 PRO 68 7.646 6.476 -36.473 530 HD3 PRO 68 HD3 PRO 68 8.326 7.240 -37.924 531 H LEU 69 H LEU 69 7.392 2.197 -40.147 532 HA LEU 69 HA LEU 69 5.967 0.911 -37.934 533 HB2 LEU 69 HB2 LEU 69 6.202 0.367 -40.863 534 HB3 LEU 69 HB3 LEU 69 5.722 -0.924 -39.764 535 HG LEU 69 HG LEU 69 3.774 0.082 -40.789 536 HD11 LEU 69 HD11 LEU 69 2.485 0.398 -38.856 537 HD12 LEU 69 HD12 LEU 69 3.849 1.048 -37.948 538 HD13 LEU 69 HD13 LEU 69 3.800 -0.666 -38.358 539 HD21 LEU 69 HD21 LEU 69 4.099 2.669 -39.412 540 HD22 LEU 69 HD22 LEU 69 3.381 2.296 -40.979 541 HD23 LEU 69 HD23 LEU 69 5.135 2.402 -40.815 542 H GLU 70 H GLU 70 8.904 1.408 -38.028 543 HA GLU 70 HA GLU 70 9.848 -1.380 -37.943 544 HB2 GLU 70 HB2 GLU 70 11.450 1.165 -38.264 545 HB3 GLU 70 HB3 GLU 70 12.118 -0.460 -38.206 546 HG2 GLU 70 HG2 GLU 70 11.544 -0.920 -40.330 547 HG3 GLU 70 HG3 GLU 70 10.034 -0.016 -40.233 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -15.002 3.906 -2.955 2 HA2 GLY 1 HA2 GLY 1 -15.435 1.403 -2.978 3 HA3 GLY 1 HA3 GLY 1 -16.731 1.802 -4.096 4 HA PRO 2 HA PRO 2 -12.641 0.973 -6.325 5 HB2 PRO 2 HB2 PRO 2 -13.386 -1.328 -7.557 6 HB3 PRO 2 HB3 PRO 2 -12.618 -1.296 -5.965 7 HG2 PRO 2 HG2 PRO 2 -15.516 -1.568 -6.666 8 HG3 PRO 2 HG3 PRO 2 -14.571 -2.448 -5.450 9 HD2 PRO 2 HD2 PRO 2 -16.201 -0.382 -4.813 10 HD3 PRO 2 HD3 PRO 2 -14.708 -0.732 -3.918 11 H GLU 3 H GLU 3 -12.573 0.324 -8.807 12 HA GLU 3 HA GLU 3 -13.034 1.027 -10.923 13 HB2 GLU 3 HB2 GLU 3 -15.177 -0.411 -10.093 14 HB3 GLU 3 HB3 GLU 3 -15.954 1.115 -10.487 15 HG2 GLU 3 HG2 GLU 3 -15.317 0.994 -12.732 16 HG3 GLU 3 HG3 GLU 3 -14.106 -0.246 -12.411 17 H LYS 4 H LYS 4 -12.734 3.034 -8.818 18 HA LYS 4 HA LYS 4 -14.526 5.177 -9.670 19 HB2 LYS 4 HB2 LYS 4 -13.373 4.526 -7.224 20 HB3 LYS 4 HB3 LYS 4 -12.456 5.926 -7.766 21 HG2 LYS 4 HG2 LYS 4 -14.340 7.299 -7.797 22 HG3 LYS 4 HG3 LYS 4 -15.452 5.928 -7.784 23 HD2 LYS 4 HD2 LYS 4 -14.748 5.389 -5.498 24 HD3 LYS 4 HD3 LYS 4 -13.649 6.771 -5.514 25 HE2 LYS 4 HE2 LYS 4 -15.297 8.129 -4.905 26 HE3 LYS 4 HE3 LYS 4 -16.258 7.633 -6.297 27 HZ1 LYS 4 HZ1 LYS 4 -17.642 6.826 -4.761 28 HZ2 LYS 4 HZ2 LYS 4 -16.476 6.837 -3.536 29 HZ3 LYS 4 HZ3 LYS 4 -16.546 5.544 -4.625 30 H MET 5 H MET 5 -11.250 4.093 -10.022 31 HA MET 5 HA MET 5 -10.714 6.417 -11.744 32 HB2 MET 5 HB2 MET 5 -9.028 5.265 -9.562 33 HB3 MET 5 HB3 MET 5 -8.234 5.953 -10.972 34 HG2 MET 5 HG2 MET 5 -10.329 7.540 -9.576 35 HG3 MET 5 HG3 MET 5 -8.727 7.404 -8.854 36 HE1 MET 5 HE1 MET 5 -6.447 9.430 -10.590 37 HE2 MET 5 HE2 MET 5 -6.703 7.870 -9.810 38 HE3 MET 5 HE3 MET 5 -6.508 7.959 -11.561 39 H GLU 6 H GLU 6 -8.845 5.977 -13.264 40 HA GLU 6 HA GLU 6 -9.266 3.355 -14.464 41 HB2 GLU 6 HB2 GLU 6 -9.021 5.883 -15.535 42 HB3 GLU 6 HB3 GLU 6 -7.439 5.180 -15.841 43 HG2 GLU 6 HG2 GLU 6 -8.299 4.211 -17.630 44 HG3 GLU 6 HG3 GLU 6 -9.249 3.192 -16.551 45 H VAL 7 H VAL 7 -7.488 2.056 -15.209 46 HA VAL 7 HA VAL 7 -4.855 2.586 -14.106 47 HB VAL 7 HB VAL 7 -5.915 1.480 -12.225 48 HG11 VAL 7 HG11 VAL 7 -6.313 -1.130 -13.409 49 HG12 VAL 7 HG12 VAL 7 -7.406 -0.163 -12.416 50 HG13 VAL 7 HG13 VAL 7 -7.340 0.091 -14.161 51 HG21 VAL 7 HG21 VAL 7 -4.109 -0.472 -13.645 52 HG22 VAL 7 HG22 VAL 7 -3.549 0.968 -12.794 53 HG23 VAL 7 HG23 VAL 7 -4.357 -0.323 -11.905 54 H LYS 8 H LYS 8 -3.234 1.594 -15.225 55 HA LYS 8 HA LYS 8 -3.719 -0.642 -16.964 56 HB2 LYS 8 HB2 LYS 8 -3.769 2.102 -18.004 57 HB3 LYS 8 HB3 LYS 8 -2.646 1.043 -18.848 58 HG2 LYS 8 HG2 LYS 8 -4.739 -0.576 -18.838 59 HG3 LYS 8 HG3 LYS 8 -5.606 0.956 -18.713 60 HD2 LYS 8 HD2 LYS 8 -5.471 0.866 -20.973 61 HD3 LYS 8 HD3 LYS 8 -3.886 1.583 -20.672 62 HE2 LYS 8 HE2 LYS 8 -3.359 -0.156 -22.094 63 HE3 LYS 8 HE3 LYS 8 -3.096 -0.890 -20.513 64 HZ1 LYS 8 HZ1 LYS 8 -5.779 -1.152 -21.578 65 HZ2 LYS 8 HZ2 LYS 8 -4.814 -2.289 -20.781 66 HZ3 LYS 8 HZ3 LYS 8 -4.582 -1.991 -22.430 67 H GLU 9 H GLU 9 -1.780 -1.488 -17.899 68 HA GLU 9 HA GLU 9 0.751 -0.243 -17.329 69 HB2 GLU 9 HB2 GLU 9 1.610 -1.811 -15.779 70 HB3 GLU 9 HB3 GLU 9 0.039 -1.332 -15.153 71 HG2 GLU 9 HG2 GLU 9 -0.456 -3.550 -16.772 72 HG3 GLU 9 HG3 GLU 9 1.007 -3.939 -15.869 73 H ILE 10 H ILE 10 2.554 -1.419 -18.235 74 HA ILE 10 HA ILE 10 3.537 -2.472 -20.003 75 HB ILE 10 HB ILE 10 1.559 -4.697 -19.575 76 HG12 ILE 10 HG12 ILE 10 2.333 -4.003 -17.366 77 HG13 ILE 10 HG13 ILE 10 3.055 -5.548 -17.805 78 HG21 ILE 10 HG21 ILE 10 3.976 -5.845 -19.904 79 HG22 ILE 10 HG22 ILE 10 2.870 -5.485 -21.229 80 HG23 ILE 10 HG23 ILE 10 4.190 -4.376 -20.856 81 HD11 ILE 10 HD11 ILE 10 4.982 -4.633 -17.190 82 HD12 ILE 10 HD12 ILE 10 4.901 -3.727 -18.702 83 HD13 ILE 10 HD13 ILE 10 4.311 -3.002 -17.206 84 H GLY 11 H GLY 11 1.671 -0.638 -20.841 85 HA2 GLY 11 HA2 GLY 11 -0.199 -1.764 -22.692 86 HA3 GLY 11 HA3 GLY 11 0.257 -0.071 -22.572 87 H ARG 12 H ARG 12 2.497 0.437 -23.432 88 HA ARG 12 HA ARG 12 3.893 0.575 -25.222 89 HB2 ARG 12 HB2 ARG 12 3.495 -2.422 -25.308 90 HB3 ARG 12 HB3 ARG 12 4.766 -1.535 -26.137 91 HG2 ARG 12 HG2 ARG 12 5.590 -0.764 -23.921 92 HG3 ARG 12 HG3 ARG 12 4.394 -1.820 -23.165 93 HD2 ARG 12 HD2 ARG 12 6.651 -2.832 -23.309 94 HD3 ARG 12 HD3 ARG 12 5.411 -3.763 -24.148 95 HE ARG 12 HE ARG 12 6.838 -1.917 -25.834 96 HH11 ARG 12 HH11 ARG 12 6.777 -5.126 -24.486 97 HH12 ARG 12 HH12 ARG 12 7.765 -5.810 -25.734 98 HH21 ARG 12 HH21 ARG 12 8.140 -2.806 -27.483 99 HH22 ARG 12 HH22 ARG 12 8.540 -4.490 -27.438 100 H SER 13 H SER 13 2.147 1.724 -26.314 101 HA SER 13 HA SER 13 0.383 0.376 -28.095 102 HB2 SER 13 HB2 SER 13 0.441 2.879 -27.051 103 HB3 SER 13 HB3 SER 13 1.048 3.199 -28.676 104 HG SER 13 HG SER 13 -1.328 3.234 -28.317 105 H SER 14 H SER 14 0.499 1.679 -30.473 106 HA SER 14 HA SER 14 2.956 0.576 -31.631 107 HB2 SER 14 HB2 SER 14 0.202 1.100 -32.692 108 HB3 SER 14 HB3 SER 14 1.560 1.014 -33.814 109 HG SER 14 HG SER 14 0.506 -0.983 -32.137 110 H LYS 15 H LYS 15 2.934 3.135 -30.267 111 HA LYS 15 HA LYS 15 2.887 5.268 -32.135 112 HB2 LYS 15 HB2 LYS 15 3.745 6.617 -30.406 113 HB3 LYS 15 HB3 LYS 15 2.757 5.412 -29.589 114 HG2 LYS 15 HG2 LYS 15 5.711 5.040 -29.926 115 HG3 LYS 15 HG3 LYS 15 5.040 5.979 -28.590 116 HD2 LYS 15 HD2 LYS 15 4.918 4.022 -27.508 117 HD3 LYS 15 HD3 LYS 15 3.520 3.696 -28.536 118 HE2 LYS 15 HE2 LYS 15 4.653 2.224 -29.841 119 HE3 LYS 15 HE3 LYS 15 6.181 3.086 -29.674 120 HZ1 LYS 15 HZ1 LYS 15 5.878 0.798 -28.546 121 HZ2 LYS 15 HZ2 LYS 15 5.044 1.668 -27.360 122 HZ3 LYS 15 HZ3 LYS 15 6.660 2.037 -27.700 123 H ILE 16 H ILE 16 4.544 6.295 -33.228 124 HA ILE 16 HA ILE 16 7.279 5.563 -32.985 125 HB ILE 16 HB ILE 16 7.137 4.803 -35.586 126 HG12 ILE 16 HG12 ILE 16 4.820 3.401 -34.249 127 HG13 ILE 16 HG13 ILE 16 4.612 4.760 -35.349 128 HG21 ILE 16 HG21 ILE 16 7.957 2.785 -34.858 129 HG22 ILE 16 HG22 ILE 16 8.216 3.786 -33.431 130 HG23 ILE 16 HG23 ILE 16 6.834 2.694 -33.502 131 HD11 ILE 16 HD11 ILE 16 5.273 1.957 -35.906 132 HD12 ILE 16 HD12 ILE 16 4.404 3.141 -36.882 133 HD13 ILE 16 HD13 ILE 16 6.167 3.150 -36.849 134 H ILE 17 H ILE 17 8.595 6.520 -34.830 135 HA ILE 17 HA ILE 17 7.287 8.990 -35.769 136 HB ILE 17 HB ILE 17 9.493 10.072 -35.692 137 HG12 ILE 17 HG12 ILE 17 10.631 7.695 -35.825 138 HG13 ILE 17 HG13 ILE 17 11.438 9.032 -35.014 139 HG21 ILE 17 HG21 ILE 17 8.497 8.839 -33.134 140 HG22 ILE 17 HG22 ILE 17 9.716 10.112 -33.190 141 HG23 ILE 17 HG23 ILE 17 8.092 10.418 -33.805 142 HD11 ILE 17 HD11 ILE 17 11.261 6.658 -33.911 143 HD12 ILE 17 HD12 ILE 17 11.144 8.128 -32.943 144 HD13 ILE 17 HD13 ILE 17 9.682 7.258 -33.406 145 H LEU 18 H LEU 18 8.327 9.949 -37.729 146 HA LEU 18 HA LEU 18 9.300 7.851 -39.554 147 HB2 LEU 18 HB2 LEU 18 6.890 8.633 -39.869 148 HB3 LEU 18 HB3 LEU 18 7.582 10.159 -40.415 149 HG LEU 18 HG LEU 18 8.161 7.499 -41.710 150 HD11 LEU 18 HD11 LEU 18 6.173 7.586 -42.681 151 HD12 LEU 18 HD12 LEU 18 6.598 9.148 -43.380 152 HD13 LEU 18 HD13 LEU 18 5.784 9.074 -41.817 153 HD21 LEU 18 HD21 LEU 18 8.569 9.406 -43.578 154 HD22 LEU 18 HD22 LEU 18 9.835 8.759 -42.535 155 HD23 LEU 18 HD23 LEU 18 9.040 10.278 -42.119 156 HA PRO 19 HA PRO 19 12.635 10.870 -39.723 157 HB2 PRO 19 HB2 PRO 19 14.363 9.217 -41.010 158 HB3 PRO 19 HB3 PRO 19 14.069 9.133 -39.269 159 HG2 PRO 19 HG2 PRO 19 12.933 7.446 -41.465 160 HG3 PRO 19 HG3 PRO 19 13.541 6.951 -39.875 161 HD2 PRO 19 HD2 PRO 19 10.900 7.220 -40.405 162 HD3 PRO 19 HD3 PRO 19 11.590 7.548 -38.803 163 H ALA 20 H ALA 20 13.384 12.208 -41.326 164 HA ALA 20 HA ALA 20 13.454 11.649 -44.065 165 HB1 ALA 20 HB1 ALA 20 11.209 11.603 -44.412 166 HB2 ALA 20 HB2 ALA 20 10.862 12.660 -43.043 167 HB3 ALA 20 HB3 ALA 20 11.465 13.342 -44.553 168 H CYS 21 H CYS 21 12.099 14.555 -42.539 169 HA CYS 21 HA CYS 21 14.654 15.934 -42.952 170 HB2 CYS 21 HB2 CYS 21 13.306 17.927 -43.789 171 HB3 CYS 21 HB3 CYS 21 13.472 16.573 -44.902 172 H MET 22 H MET 22 11.417 16.024 -41.524 173 HA MET 22 HA MET 22 12.488 17.731 -39.375 174 HB2 MET 22 HB2 MET 22 10.334 18.250 -40.966 175 HB3 MET 22 HB3 MET 22 9.564 17.465 -39.594 176 HG2 MET 22 HG2 MET 22 11.000 19.129 -38.196 177 HG3 MET 22 HG3 MET 22 11.072 20.031 -39.708 178 HE1 MET 22 HE1 MET 22 7.300 19.179 -37.213 179 HE2 MET 22 HE2 MET 22 8.143 17.869 -38.040 180 HE3 MET 22 HE3 MET 22 8.957 18.775 -36.763 181 H HIS 23 H HIS 23 10.562 17.377 -37.469 182 HA HIS 23 HA HIS 23 10.943 14.552 -36.743 183 HB2 HIS 23 HB2 HIS 23 10.567 17.007 -35.021 184 HB3 HIS 23 HB3 HIS 23 10.576 15.363 -34.389 185 HD1 HIS 23 HD1 HIS 23 12.763 14.769 -33.432 186 HD2 HIS 23 HD2 HIS 23 13.155 17.392 -36.630 187 HE1 HIS 23 HE1 HIS 23 15.233 15.186 -33.661 188 H GLU 24 H GLU 24 9.185 13.385 -37.165 189 HA GLU 24 HA GLU 24 6.565 14.513 -36.426 190 HB2 GLU 24 HB2 GLU 24 5.609 13.068 -38.245 191 HB3 GLU 24 HB3 GLU 24 6.612 14.397 -38.810 192 HG2 GLU 24 HG2 GLU 24 8.510 12.646 -38.829 193 HG3 GLU 24 HG3 GLU 24 7.199 11.469 -38.789 194 H THR 25 H THR 25 4.907 12.818 -35.970 195 HA THR 25 HA THR 25 5.872 10.219 -35.155 196 HB THR 25 HB THR 25 4.613 11.873 -32.986 197 HG1 THR 25 HG1 THR 25 6.468 12.811 -32.569 198 HG21 THR 25 HG21 THR 25 5.947 10.209 -31.598 199 HG22 THR 25 HG22 THR 25 6.231 9.337 -33.105 200 HG23 THR 25 HG23 THR 25 4.586 9.558 -32.510 201 H CYS 26 H CYS 26 4.101 8.863 -34.265 202 HA CYS 26 HA CYS 26 1.392 9.771 -34.665 203 HB2 CYS 26 HB2 CYS 26 2.544 8.926 -36.930 204 HB3 CYS 26 HB3 CYS 26 2.048 7.365 -36.285 205 H SER 27 H SER 27 -0.126 8.463 -33.671 206 HA SER 27 HA SER 27 0.447 5.832 -32.746 207 HB2 SER 27 HB2 SER 27 1.129 6.150 -30.615 208 HB3 SER 27 HB3 SER 27 1.572 7.769 -31.157 209 HG SER 27 HG SER 27 -0.564 6.936 -29.588 210 H GLY 28 H GLY 28 -1.444 4.820 -32.716 211 HA2 GLY 28 HA2 GLY 28 -3.820 6.257 -31.761 212 HA3 GLY 28 HA3 GLY 28 -3.865 5.531 -33.361 213 H GLY 29 H GLY 29 -3.847 4.933 -29.927 214 HA2 GLY 29 HA2 GLY 29 -5.297 2.517 -30.203 215 HA3 GLY 29 HA3 GLY 29 -3.608 2.159 -29.880 216 H PHE 30 H PHE 30 -3.174 4.484 -28.208 217 HA PHE 30 HA PHE 30 -5.023 4.263 -26.002 218 HB2 PHE 30 HB2 PHE 30 -3.707 2.314 -25.523 219 HB3 PHE 30 HB3 PHE 30 -2.206 3.191 -25.800 220 HD1 PHE 30 HD1 PHE 30 -5.232 4.019 -23.789 221 HD2 PHE 30 HD2 PHE 30 -1.043 3.271 -23.819 222 HE1 PHE 30 HE1 PHE 30 -5.120 4.573 -21.394 223 HE2 PHE 30 HE2 PHE 30 -0.923 3.822 -21.424 224 HZ PHE 30 HZ PHE 30 -2.964 4.473 -20.208 225 H SER 31 H SER 31 -1.897 5.429 -27.171 226 HA SER 31 HA SER 31 -1.849 7.629 -25.305 227 HB2 SER 31 HB2 SER 31 -0.026 6.475 -27.306 228 HB3 SER 31 HB3 SER 31 0.061 8.231 -27.173 229 HG SER 31 HG SER 31 0.896 6.302 -25.427 230 H LEU 32 H LEU 32 -2.584 7.137 -28.715 231 HA LEU 32 HA LEU 32 -3.471 8.497 -30.313 232 HB2 LEU 32 HB2 LEU 32 -5.421 8.364 -28.951 233 HB3 LEU 32 HB3 LEU 32 -4.790 9.568 -27.829 234 HG LEU 32 HG LEU 32 -4.925 10.816 -30.352 235 HD11 LEU 32 HD11 LEU 32 -6.422 9.153 -31.176 236 HD12 LEU 32 HD12 LEU 32 -7.371 10.589 -30.794 237 HD13 LEU 32 HD13 LEU 32 -7.385 9.207 -29.699 238 HD21 LEU 32 HD21 LEU 32 -5.186 11.972 -28.267 239 HD22 LEU 32 HD22 LEU 32 -6.618 11.023 -27.866 240 HD23 LEU 32 HD23 LEU 32 -6.668 12.172 -29.204 241 H LYS 33 H LYS 33 -1.558 9.502 -30.974 242 HA LYS 33 HA LYS 33 -1.530 12.340 -30.670 243 HB2 LYS 33 HB2 LYS 33 0.732 12.531 -29.713 244 HB3 LYS 33 HB3 LYS 33 -0.397 11.787 -28.589 245 HG2 LYS 33 HG2 LYS 33 0.650 9.775 -28.646 246 HG3 LYS 33 HG3 LYS 33 1.188 9.977 -30.315 247 HD2 LYS 33 HD2 LYS 33 2.473 11.981 -28.813 248 HD3 LYS 33 HD3 LYS 33 2.608 10.491 -27.877 249 HE2 LYS 33 HE2 LYS 33 3.196 9.566 -30.340 250 HE3 LYS 33 HE3 LYS 33 3.795 11.219 -30.479 251 HZ1 LYS 33 HZ1 LYS 33 4.599 10.091 -28.013 252 HZ2 LYS 33 HZ2 LYS 33 5.557 10.689 -29.271 253 HZ3 LYS 33 HZ3 LYS 33 5.061 9.072 -29.283 254 H ASN 34 H ASN 34 0.246 13.344 -31.950 255 HA ASN 34 HA ASN 34 1.825 11.781 -33.715 256 HB2 ASN 34 HB2 ASN 34 0.585 12.613 -35.817 257 HB3 ASN 34 HB3 ASN 34 -0.101 11.244 -34.947 258 HD21 ASN 34 HD21 ASN 34 -2.164 11.350 -34.422 259 HD22 ASN 34 HD22 ASN 34 -3.129 12.783 -34.392 260 H ASP 35 H ASP 35 3.415 12.996 -34.597 261 HA ASP 35 HA ASP 35 3.279 15.892 -34.114 262 HB2 ASP 35 HB2 ASP 35 5.405 13.882 -33.904 263 HB3 ASP 35 HB3 ASP 35 5.902 15.351 -34.740 264 H CYS 36 H CYS 36 3.115 17.233 -35.780 265 HA CYS 36 HA CYS 36 2.738 16.464 -38.402 266 HB2 CYS 36 HB2 CYS 36 3.275 19.007 -37.010 267 HB3 CYS 36 HB3 CYS 36 3.689 18.998 -38.721 268 H TRP 37 H TRP 37 4.129 17.275 -40.293 269 HA TRP 37 HA TRP 37 6.945 16.571 -39.780 270 HB2 TRP 37 HB2 TRP 37 7.026 15.506 -41.969 271 HB3 TRP 37 HB3 TRP 37 5.737 14.793 -41.003 272 HD1 TRP 37 HD1 TRP 37 3.192 16.013 -41.561 273 HE1 TRP 37 HE1 TRP 37 2.212 16.494 -43.892 274 HE3 TRP 37 HE3 TRP 37 7.518 15.964 -44.285 275 HZ2 TRP 37 HZ2 TRP 37 3.150 16.809 -46.536 276 HZ3 TRP 37 HZ3 TRP 37 7.390 16.364 -46.709 277 HH2 TRP 37 HH2 TRP 37 5.250 16.777 -47.810 278 H CYS 38 H CYS 38 7.944 17.109 -42.309 279 HA CYS 38 HA CYS 38 8.679 19.721 -42.232 280 HB2 CYS 38 HB2 CYS 38 8.211 18.135 -44.767 281 HB3 CYS 38 HB3 CYS 38 9.249 19.548 -44.606 282 H CYS 39 H CYS 39 8.088 21.616 -43.434 283 HA CYS 39 HA CYS 39 5.260 21.687 -44.250 284 HB2 CYS 39 HB2 CYS 39 6.242 22.874 -41.966 285 HB3 CYS 39 HB3 CYS 39 6.285 24.193 -43.130 286 H LEU 40 H LEU 40 5.215 24.396 -44.969 287 HA LEU 40 HA LEU 40 5.952 24.390 -47.595 288 HB2 LEU 40 HB2 LEU 40 4.682 26.145 -46.062 289 HB3 LEU 40 HB3 LEU 40 6.240 26.964 -46.141 290 HG LEU 40 HG LEU 40 4.767 27.875 -47.811 291 HD11 LEU 40 HD11 LEU 40 7.219 27.471 -48.306 292 HD12 LEU 40 HD12 LEU 40 6.165 27.719 -49.698 293 HD13 LEU 40 HD13 LEU 40 6.694 26.092 -49.272 294 HD21 LEU 40 HD21 LEU 40 3.254 25.973 -48.040 295 HD22 LEU 40 HD22 LEU 40 4.520 25.056 -48.858 296 HD23 LEU 40 HD23 LEU 40 3.851 26.504 -49.613 297 H ARG 41 H ARG 41 7.886 25.623 -44.880 298 HA ARG 41 HA ARG 41 10.342 24.807 -45.934 299 HB2 ARG 41 HB2 ARG 41 11.281 27.076 -46.502 300 HB3 ARG 41 HB3 ARG 41 10.120 26.434 -47.657 301 HG2 ARG 41 HG2 ARG 41 8.379 27.851 -46.723 302 HG3 ARG 41 HG3 ARG 41 9.516 28.472 -45.525 303 HD2 ARG 41 HD2 ARG 41 9.398 30.087 -47.258 304 HD3 ARG 41 HD3 ARG 41 10.942 29.256 -47.441 305 HE ARG 41 HE ARG 41 9.261 27.881 -49.075 306 HH11 ARG 41 HH11 ARG 41 10.133 31.235 -48.752 307 HH12 ARG 41 HH12 ARG 41 9.895 31.594 -50.431 308 HH21 ARG 41 HH21 ARG 41 8.943 28.340 -51.287 309 HH22 ARG 41 HH22 ARG 41 9.217 29.946 -51.871 310 H LEU 42 H LEU 42 11.590 24.597 -44.203 311 HA LEU 42 HA LEU 42 11.654 26.690 -42.178 312 HB2 LEU 42 HB2 LEU 42 11.535 24.798 -40.420 313 HB3 LEU 42 HB3 LEU 42 10.044 25.433 -41.114 314 HG LEU 42 HG LEU 42 10.955 23.194 -42.661 315 HD11 LEU 42 HD11 LEU 42 11.863 22.861 -40.148 316 HD12 LEU 42 HD12 LEU 42 11.331 21.537 -41.184 317 HD13 LEU 42 HD13 LEU 42 10.232 22.211 -39.981 318 HD21 LEU 42 HD21 LEU 42 8.540 23.970 -41.080 319 HD22 LEU 42 HD22 LEU 42 8.691 22.331 -41.714 320 HD23 LEU 42 HD23 LEU 42 8.709 23.709 -42.816 321 H LYS 43 H LYS 43 13.567 26.782 -41.024 322 HA LYS 43 HA LYS 43 15.727 25.108 -42.092 323 HB2 LYS 43 HB2 LYS 43 16.046 27.615 -40.449 324 HB3 LYS 43 HB3 LYS 43 17.242 26.835 -41.477 325 HG2 LYS 43 HG2 LYS 43 16.663 28.235 -43.089 326 HG3 LYS 43 HG3 LYS 43 15.098 27.422 -43.163 327 HD2 LYS 43 HD2 LYS 43 14.174 28.967 -41.551 328 HD3 LYS 43 HD3 LYS 43 15.752 29.728 -41.330 329 HE2 LYS 43 HE2 LYS 43 15.507 30.998 -43.154 330 HE3 LYS 43 HE3 LYS 43 14.911 29.646 -44.116 331 HZ1 LYS 43 HZ1 LYS 43 12.725 29.959 -43.128 332 HZ2 LYS 43 HZ2 LYS 43 13.242 31.371 -43.904 333 HZ3 LYS 43 HZ3 LYS 43 13.300 31.264 -42.217 334 H THR 44 H THR 44 13.983 25.857 -39.200 335 HA THR 44 HA THR 44 15.816 24.142 -37.654 336 HB THR 44 HB THR 44 15.817 26.334 -36.684 337 HG1 THR 44 HG1 THR 44 15.794 24.939 -35.021 338 HG21 THR 44 HG21 THR 44 12.814 26.169 -36.450 339 HG22 THR 44 HG22 THR 44 13.649 27.050 -37.729 340 HG23 THR 44 HG23 THR 44 13.851 27.537 -36.046 341 H LYS 45 H LYS 45 12.414 25.023 -38.134 342 HA LYS 45 HA LYS 45 11.446 22.418 -38.138 343 HB2 LYS 45 HB2 LYS 45 11.989 22.123 -35.862 344 HB3 LYS 45 HB3 LYS 45 11.451 23.742 -35.436 345 HG2 LYS 45 HG2 LYS 45 9.138 23.090 -35.831 346 HG3 LYS 45 HG3 LYS 45 9.667 21.470 -36.292 347 HD2 LYS 45 HD2 LYS 45 10.077 22.757 -33.592 348 HD3 LYS 45 HD3 LYS 45 8.860 21.538 -33.977 349 HE2 LYS 45 HE2 LYS 45 11.248 20.436 -34.864 350 HE3 LYS 45 HE3 LYS 45 11.671 21.223 -33.344 351 HZ1 LYS 45 HZ1 LYS 45 9.289 19.919 -32.877 352 HZ2 LYS 45 HZ2 LYS 45 10.822 19.464 -32.326 353 HZ3 LYS 45 HZ3 LYS 45 10.219 18.824 -33.771 354 H GLN 46 H GLN 46 10.880 25.789 -37.400 355 HA GLN 46 HA GLN 46 8.282 25.588 -38.754 356 HB2 GLN 46 HB2 GLN 46 7.344 27.235 -37.159 357 HB3 GLN 46 HB3 GLN 46 7.775 25.712 -36.392 358 HG2 GLN 46 HG2 GLN 46 8.927 26.862 -34.900 359 HG3 GLN 46 HG3 GLN 46 10.049 27.313 -36.183 360 HE21 GLN 46 HE21 GLN 46 6.797 28.245 -35.098 361 HE22 GLN 46 HE22 GLN 46 7.073 29.948 -35.181 362 H ALA 47 H ALA 47 7.593 27.502 -39.825 363 HA ALA 47 HA ALA 47 8.981 29.927 -39.871 364 HB1 ALA 47 HB1 ALA 47 10.146 27.810 -41.528 365 HB2 ALA 47 HB2 ALA 47 9.838 29.322 -42.383 366 HB3 ALA 47 HB3 ALA 47 10.854 29.315 -40.942 367 H ARG 48 H ARG 48 7.969 28.005 -42.683 368 HA ARG 48 HA ARG 48 5.687 29.843 -43.006 369 HB2 ARG 48 HB2 ARG 48 7.187 28.509 -45.261 370 HB3 ARG 48 HB3 ARG 48 5.965 29.768 -45.383 371 HG2 ARG 48 HG2 ARG 48 8.704 30.083 -44.172 372 HG3 ARG 48 HG3 ARG 48 8.200 30.652 -45.764 373 HD2 ARG 48 HD2 ARG 48 6.551 32.121 -44.722 374 HD3 ARG 48 HD3 ARG 48 7.030 31.537 -43.129 375 HE ARG 48 HE ARG 48 9.284 32.551 -44.477 376 HH11 ARG 48 HH11 ARG 48 6.339 33.616 -42.956 377 HH12 ARG 48 HH12 ARG 48 6.972 35.168 -42.521 378 HH21 ARG 48 HH21 ARG 48 10.129 34.592 -43.909 379 HH22 ARG 48 HH22 ARG 48 9.127 35.723 -43.064 380 H CYS 49 H CYS 49 3.752 28.914 -43.021 381 HA CYS 49 HA CYS 49 3.351 26.280 -44.140 382 HB2 CYS 49 HB2 CYS 49 3.940 26.403 -41.445 383 HB3 CYS 49 HB3 CYS 49 2.179 26.379 -41.462 384 H TRP 50 H TRP 50 0.903 25.642 -43.546 385 HA TRP 50 HA TRP 50 -0.697 28.056 -44.092 386 HB2 TRP 50 HB2 TRP 50 -2.295 26.338 -45.180 387 HB3 TRP 50 HB3 TRP 50 -0.833 26.788 -46.053 388 HD1 TRP 50 HD1 TRP 50 -2.643 23.823 -44.677 389 HE1 TRP 50 HE1 TRP 50 -1.246 21.693 -45.047 390 HE3 TRP 50 HE3 TRP 50 1.774 25.982 -46.079 391 HZ2 TRP 50 HZ2 TRP 50 1.381 21.017 -45.829 392 HZ3 TRP 50 HZ3 TRP 50 3.680 24.523 -46.621 393 HH2 TRP 50 HH2 TRP 50 3.486 22.093 -46.497 394 H LYS 51 H LYS 51 -2.402 28.485 -42.817 395 HA LYS 51 HA LYS 51 -2.740 27.013 -40.396 396 HB2 LYS 51 HB2 LYS 51 -4.299 29.300 -41.605 397 HB3 LYS 51 HB3 LYS 51 -4.633 28.628 -40.014 398 HG2 LYS 51 HG2 LYS 51 -3.261 30.261 -39.323 399 HG3 LYS 51 HG3 LYS 51 -1.995 29.119 -39.779 400 HD2 LYS 51 HD2 LYS 51 -1.789 30.175 -41.954 401 HD3 LYS 51 HD3 LYS 51 -3.119 31.271 -41.572 402 HE2 LYS 51 HE2 LYS 51 -0.780 31.181 -39.735 403 HE3 LYS 51 HE3 LYS 51 -0.595 31.999 -41.286 404 HZ1 LYS 51 HZ1 LYS 51 -1.504 33.752 -40.300 405 HZ2 LYS 51 HZ2 LYS 51 -1.970 32.861 -38.940 406 HZ3 LYS 51 HZ3 LYS 51 -2.975 32.916 -40.300 407 H GLU 52 H GLU 52 -4.288 25.579 -39.808 408 HA GLU 52 HA GLU 52 -5.647 24.122 -41.799 409 HB2 GLU 52 HB2 GLU 52 -6.211 24.159 -38.830 410 HB3 GLU 52 HB3 GLU 52 -6.676 22.899 -39.964 411 HG2 GLU 52 HG2 GLU 52 -4.500 22.131 -40.201 412 HG3 GLU 52 HG3 GLU 52 -3.801 23.629 -39.589 413 H LYS 53 H LYS 53 -6.416 27.040 -40.264 414 HA LYS 53 HA LYS 53 -9.269 26.820 -40.351 415 HB2 LYS 53 HB2 LYS 53 -9.256 29.227 -39.874 416 HB3 LYS 53 HB3 LYS 53 -8.175 28.354 -38.796 417 HG2 LYS 53 HG2 LYS 53 -6.451 29.024 -40.752 418 HG3 LYS 53 HG3 LYS 53 -7.581 30.377 -40.847 419 HD2 LYS 53 HD2 LYS 53 -7.309 30.595 -38.334 420 HD3 LYS 53 HD3 LYS 53 -5.955 29.472 -38.480 421 HE2 LYS 53 HE2 LYS 53 -4.823 31.441 -38.667 422 HE3 LYS 53 HE3 LYS 53 -5.220 31.180 -40.365 423 HZ1 LYS 53 HZ1 LYS 53 -6.880 32.770 -40.306 424 HZ2 LYS 53 HZ2 LYS 53 -5.684 33.463 -39.332 425 HZ3 LYS 53 HZ3 LYS 53 -7.029 32.724 -38.621 426 H GLU 54 H GLU 54 -6.785 28.165 -42.467 427 HA GLU 54 HA GLU 54 -8.822 28.958 -44.408 428 HB2 GLU 54 HB2 GLU 54 -5.842 29.440 -44.299 429 HB3 GLU 54 HB3 GLU 54 -6.864 29.945 -45.637 430 HG2 GLU 54 HG2 GLU 54 -7.924 30.838 -43.104 431 HG3 GLU 54 HG3 GLU 54 -6.268 31.391 -43.349 432 H PHE 55 H PHE 55 -6.009 26.836 -44.098 433 HA PHE 55 HA PHE 55 -6.844 25.485 -46.580 434 HB2 PHE 55 HB2 PHE 55 -4.080 25.457 -45.357 435 HB3 PHE 55 HB3 PHE 55 -4.553 24.826 -46.931 436 HD1 PHE 55 HD2 PHE 55 -4.044 27.900 -44.967 437 HD2 PHE 55 HD1 PHE 55 -4.711 26.235 -48.827 438 HE1 PHE 55 HE2 PHE 55 -3.507 30.071 -45.992 439 HE2 PHE 55 HE1 PHE 55 -4.174 28.404 -49.858 440 HZ PHE 55 HZ PHE 55 -3.573 30.326 -48.441 441 HA PRO 56 HA PRO 56 -7.852 22.210 -43.697 442 HB2 PRO 56 HB2 PRO 56 -8.969 20.582 -45.560 443 HB3 PRO 56 HB3 PRO 56 -9.814 21.972 -44.869 444 HG2 PRO 56 HG2 PRO 56 -8.376 21.738 -47.484 445 HG3 PRO 56 HG3 PRO 56 -9.933 22.508 -47.129 446 HD2 PRO 56 HD2 PRO 56 -7.641 23.921 -47.415 447 HD3 PRO 56 HD3 PRO 56 -8.944 24.425 -46.318 448 H ASN 57 H ASN 57 -5.799 22.143 -46.462 449 HA ASN 57 HA ASN 57 -5.032 19.462 -46.543 450 HB2 ASN 57 HB2 ASN 57 -4.145 21.930 -47.684 451 HB3 ASN 57 HB3 ASN 57 -2.740 21.056 -47.081 452 HD21 ASN 57 HD21 ASN 57 -3.404 18.471 -47.496 453 HD22 ASN 57 HD22 ASN 57 -3.597 18.164 -49.185 454 H ALA 58 H ALA 58 -3.956 22.097 -44.474 455 HA ALA 58 HA ALA 58 -1.698 20.948 -43.338 456 HB1 ALA 58 HB1 ALA 58 -3.534 23.107 -42.666 457 HB2 ALA 58 HB2 ALA 58 -2.813 22.341 -41.250 458 HB3 ALA 58 HB3 ALA 58 -1.780 23.019 -42.509 459 H LYS 59 H LYS 59 -5.087 20.704 -42.290 460 HA LYS 59 HA LYS 59 -4.567 19.035 -40.064 461 HB2 LYS 59 HB2 LYS 59 -6.625 20.275 -40.159 462 HB3 LYS 59 HB3 LYS 59 -7.076 19.510 -41.677 463 HG2 LYS 59 HG2 LYS 59 -6.616 17.757 -39.329 464 HG3 LYS 59 HG3 LYS 59 -8.083 18.738 -39.361 465 HD2 LYS 59 HD2 LYS 59 -9.034 17.412 -40.884 466 HD3 LYS 59 HD3 LYS 59 -7.597 17.445 -41.909 467 HE2 LYS 59 HE2 LYS 59 -6.910 15.444 -41.183 468 HE3 LYS 59 HE3 LYS 59 -7.238 15.849 -39.499 469 HZ1 LYS 59 HZ1 LYS 59 -8.896 14.449 -41.423 470 HZ2 LYS 59 HZ2 LYS 59 -9.712 15.558 -40.441 471 HZ3 LYS 59 HZ3 LYS 59 -8.827 14.298 -39.740 472 H GLU 60 H GLU 60 -5.678 18.327 -43.367 473 HA GLU 60 HA GLU 60 -5.944 15.561 -43.085 474 HB2 GLU 60 HB2 GLU 60 -5.521 17.407 -45.390 475 HB3 GLU 60 HB3 GLU 60 -5.315 15.682 -45.659 476 HG2 GLU 60 HG2 GLU 60 -7.537 15.213 -45.222 477 HG3 GLU 60 HG3 GLU 60 -7.781 16.712 -44.327 478 H LEU 61 H LEU 61 -3.131 17.538 -43.862 479 HA LEU 61 HA LEU 61 -1.408 15.339 -44.435 480 HB2 LEU 61 HB2 LEU 61 -0.802 18.197 -43.695 481 HB3 LEU 61 HB3 LEU 61 0.401 17.026 -44.233 482 HG LEU 61 HG LEU 61 -1.947 17.688 -45.970 483 HD11 LEU 61 HD11 LEU 61 -1.293 19.826 -46.002 484 HD12 LEU 61 HD12 LEU 61 0.065 19.238 -46.961 485 HD13 LEU 61 HD13 LEU 61 0.249 19.469 -45.222 486 HD21 LEU 61 HD21 LEU 61 -0.254 17.168 -47.730 487 HD22 LEU 61 HD22 LEU 61 -0.639 15.814 -46.667 488 HD23 LEU 61 HD23 LEU 61 0.864 16.712 -46.444 489 H CYS 62 H CYS 62 -1.907 17.403 -41.592 490 HA CYS 62 HA CYS 62 0.083 16.217 -39.985 491 HB2 CYS 62 HB2 CYS 62 -2.073 18.145 -39.647 492 HB3 CYS 62 HB3 CYS 62 -1.873 17.123 -38.228 493 H PHE 63 H PHE 63 -3.354 15.522 -40.417 494 HA PHE 63 HA PHE 63 -3.482 13.533 -38.383 495 HB2 PHE 63 HB2 PHE 63 -5.660 13.860 -38.765 496 HB3 PHE 63 HB3 PHE 63 -5.291 14.781 -40.220 497 HD1 PHE 63 HD2 PHE 63 -6.013 11.415 -38.908 498 HD2 PHE 63 HD1 PHE 63 -5.579 13.845 -42.375 499 HE1 PHE 63 HE2 PHE 63 -6.989 9.623 -40.282 500 HE2 PHE 63 HE1 PHE 63 -6.555 12.058 -43.755 501 HZ PHE 63 HZ PHE 63 -7.261 9.942 -42.709 502 H ALA 64 H ALA 64 -3.038 13.436 -41.893 503 HA ALA 64 HA ALA 64 -2.993 10.589 -42.060 504 HB1 ALA 64 HB1 ALA 64 -2.072 12.724 -43.976 505 HB2 ALA 64 HB2 ALA 64 -2.083 11.000 -44.347 506 HB3 ALA 64 HB3 ALA 64 -3.597 11.838 -44.006 507 H ASN 65 H ASN 65 -0.628 13.034 -41.368 508 HA ASN 65 HA ASN 65 1.747 11.816 -42.050 509 HB2 ASN 65 HB2 ASN 65 2.129 13.916 -41.223 510 HB3 ASN 65 HB3 ASN 65 0.925 13.751 -39.948 511 HD21 ASN 65 HD21 ASN 65 1.545 13.121 -37.961 512 HD22 ASN 65 HD22 ASN 65 3.175 12.755 -37.518 513 H CYS 66 H CYS 66 2.464 9.847 -41.612 514 HA CYS 66 HA CYS 66 2.587 8.879 -38.910 515 HB2 CYS 66 HB2 CYS 66 0.485 7.946 -40.737 516 HB3 CYS 66 HB3 CYS 66 1.435 6.649 -40.019 517 HA PRO 67 HA PRO 67 6.163 6.901 -40.521 518 HB2 PRO 67 HB2 PRO 67 6.452 4.877 -38.735 519 HB3 PRO 67 HB3 PRO 67 6.797 6.564 -38.338 520 HG2 PRO 67 HG2 PRO 67 4.354 4.940 -37.742 521 HG3 PRO 67 HG3 PRO 67 5.226 6.074 -36.695 522 HD2 PRO 67 HD2 PRO 67 2.944 6.745 -37.988 523 HD3 PRO 67 HD3 PRO 67 4.233 7.920 -37.655 524 HA PRO 68 HA PRO 68 5.191 3.418 -43.023 525 HB2 PRO 68 HB2 PRO 68 7.450 1.916 -42.908 526 HB3 PRO 68 HB3 PRO 68 7.359 3.451 -43.781 527 HG2 PRO 68 HG2 PRO 68 8.460 2.884 -41.056 528 HG3 PRO 68 HG3 PRO 68 9.127 3.907 -42.341 529 HD2 PRO 68 HD2 PRO 68 7.779 4.922 -40.223 530 HD3 PRO 68 HD3 PRO 68 7.735 5.672 -41.832 531 H LEU 69 H LEU 69 5.235 0.941 -43.080 532 HA LEU 69 HA LEU 69 4.284 -0.020 -40.486 533 HB2 LEU 69 HB2 LEU 69 3.785 -0.741 -43.318 534 HB3 LEU 69 HB3 LEU 69 3.674 -2.032 -42.123 535 HG LEU 69 HG LEU 69 1.930 -0.818 -40.942 536 HD11 LEU 69 HD11 LEU 69 2.689 1.454 -41.426 537 HD12 LEU 69 HD12 LEU 69 0.990 1.238 -41.842 538 HD13 LEU 69 HD13 LEU 69 2.213 1.255 -43.113 539 HD21 LEU 69 HD21 LEU 69 0.203 -0.822 -42.781 540 HD22 LEU 69 HD22 LEU 69 1.128 -2.312 -42.593 541 HD23 LEU 69 HD23 LEU 69 1.516 -1.191 -43.899 542 H GLU 70 H GLU 70 6.566 -0.123 -39.754 543 HA GLU 70 HA GLU 70 8.178 -2.255 -40.887 544 HB2 GLU 70 HB2 GLU 70 8.630 -0.283 -38.653 545 HB3 GLU 70 HB3 GLU 70 9.755 -1.590 -38.994 546 HG2 GLU 70 HG2 GLU 70 10.339 -0.705 -41.074 547 HG3 GLU 70 HG3 GLU 70 8.931 0.355 -41.117 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.208 -0.598 1.502 2 HA2 GLY 1 HA2 GLY 1 3.919 -0.438 1.562 3 HA3 GLY 1 HA3 GLY 1 3.010 -0.519 0.060 4 HA PRO 2 HA PRO 2 5.455 3.486 0.339 5 HB2 PRO 2 HB2 PRO 2 6.975 3.062 -1.870 6 HB3 PRO 2 HB3 PRO 2 7.457 2.528 -0.255 7 HG2 PRO 2 HG2 PRO 2 6.196 0.959 -2.472 8 HG3 PRO 2 HG3 PRO 2 7.525 0.499 -1.391 9 HD2 PRO 2 HD2 PRO 2 4.981 -0.352 -1.018 10 HD3 PRO 2 HD3 PRO 2 6.097 -0.057 0.331 11 H GLU 3 H GLU 3 5.935 4.876 -1.841 12 HA GLU 3 HA GLU 3 3.305 5.249 -3.004 13 HB2 GLU 3 HB2 GLU 3 5.738 6.863 -2.665 14 HB3 GLU 3 HB3 GLU 3 4.908 7.122 -4.193 15 HG2 GLU 3 HG2 GLU 3 2.800 7.289 -2.614 16 HG3 GLU 3 HG3 GLU 3 4.027 7.724 -1.426 17 H LYS 4 H LYS 4 3.017 3.566 -4.438 18 HA LYS 4 HA LYS 4 4.869 3.493 -6.730 19 HB2 LYS 4 HB2 LYS 4 3.904 1.394 -5.065 20 HB3 LYS 4 HB3 LYS 4 3.211 1.171 -6.666 21 HG2 LYS 4 HG2 LYS 4 5.127 0.051 -7.025 22 HG3 LYS 4 HG3 LYS 4 5.758 1.668 -7.346 23 HD2 LYS 4 HD2 LYS 4 5.965 1.411 -4.599 24 HD3 LYS 4 HD3 LYS 4 6.396 -0.190 -5.204 25 HE2 LYS 4 HE2 LYS 4 7.744 1.479 -6.912 26 HE3 LYS 4 HE3 LYS 4 7.845 2.342 -5.378 27 HZ1 LYS 4 HZ1 LYS 4 9.694 0.952 -5.395 28 HZ2 LYS 4 HZ2 LYS 4 8.840 -0.362 -6.031 29 HZ3 LYS 4 HZ3 LYS 4 8.585 0.116 -4.429 30 H MET 5 H MET 5 3.884 2.974 -8.821 31 HA MET 5 HA MET 5 1.054 3.743 -9.009 32 HB2 MET 5 HB2 MET 5 3.230 4.760 -10.844 33 HB3 MET 5 HB3 MET 5 1.520 5.164 -10.924 34 HG2 MET 5 HG2 MET 5 2.510 5.752 -8.311 35 HG3 MET 5 HG3 MET 5 3.557 6.492 -9.520 36 HE1 MET 5 HE1 MET 5 -0.592 7.403 -8.209 37 HE2 MET 5 HE2 MET 5 -0.766 6.351 -9.614 38 HE3 MET 5 HE3 MET 5 0.198 5.825 -8.233 39 H GLU 6 H GLU 6 0.333 3.400 -11.426 40 HA GLU 6 HA GLU 6 1.602 1.381 -12.943 41 HB2 GLU 6 HB2 GLU 6 -0.202 -0.378 -12.556 42 HB3 GLU 6 HB3 GLU 6 1.010 -0.195 -11.295 43 HG2 GLU 6 HG2 GLU 6 -0.482 0.509 -9.776 44 HG3 GLU 6 HG3 GLU 6 -1.395 1.452 -10.953 45 H VAL 7 H VAL 7 0.926 1.653 -14.962 46 HA VAL 7 HA VAL 7 -1.663 2.975 -15.402 47 HB VAL 7 HB VAL 7 0.324 4.151 -16.282 48 HG11 VAL 7 HG11 VAL 7 0.793 2.448 -18.561 49 HG12 VAL 7 HG12 VAL 7 1.944 3.120 -17.403 50 HG13 VAL 7 HG13 VAL 7 1.129 1.595 -17.055 51 HG21 VAL 7 HG21 VAL 7 -0.743 4.868 -18.168 52 HG22 VAL 7 HG22 VAL 7 -1.116 3.234 -18.714 53 HG23 VAL 7 HG23 VAL 7 -2.061 3.967 -17.419 54 H LYS 8 H LYS 8 -3.182 2.125 -16.765 55 HA LYS 8 HA LYS 8 -2.685 -0.079 -18.498 56 HB2 LYS 8 HB2 LYS 8 -2.742 -1.076 -16.117 57 HB3 LYS 8 HB3 LYS 8 -4.470 -0.751 -16.172 58 HG2 LYS 8 HG2 LYS 8 -4.667 -2.160 -18.164 59 HG3 LYS 8 HG3 LYS 8 -2.936 -2.497 -18.089 60 HD2 LYS 8 HD2 LYS 8 -3.287 -3.448 -15.813 61 HD3 LYS 8 HD3 LYS 8 -5.025 -3.236 -16.041 62 HE2 LYS 8 HE2 LYS 8 -5.162 -5.114 -17.225 63 HE3 LYS 8 HE3 LYS 8 -3.860 -4.597 -18.296 64 HZ1 LYS 8 HZ1 LYS 8 -2.383 -5.862 -17.228 65 HZ2 LYS 8 HZ2 LYS 8 -3.721 -6.676 -16.590 66 HZ3 LYS 8 HZ3 LYS 8 -2.969 -5.455 -15.694 67 H GLU 9 H GLU 9 -3.796 0.933 -20.091 68 HA GLU 9 HA GLU 9 -6.641 1.506 -19.576 69 HB2 GLU 9 HB2 GLU 9 -5.028 2.850 -21.730 70 HB3 GLU 9 HB3 GLU 9 -6.571 3.344 -21.050 71 HG2 GLU 9 HG2 GLU 9 -4.873 3.352 -18.876 72 HG3 GLU 9 HG3 GLU 9 -3.875 3.966 -20.192 73 H ILE 10 H ILE 10 -7.538 1.866 -22.117 74 HA ILE 10 HA ILE 10 -7.317 -0.844 -23.205 75 HB ILE 10 HB ILE 10 -9.339 1.270 -23.943 76 HG12 ILE 10 HG12 ILE 10 -10.467 -0.834 -22.377 77 HG13 ILE 10 HG13 ILE 10 -9.085 -0.180 -21.504 78 HG21 ILE 10 HG21 ILE 10 -10.616 -0.907 -24.533 79 HG22 ILE 10 HG22 ILE 10 -9.377 -0.308 -25.635 80 HG23 ILE 10 HG23 ILE 10 -9.013 -1.642 -24.540 81 HD11 ILE 10 HD11 ILE 10 -10.030 2.043 -21.625 82 HD12 ILE 10 HD12 ILE 10 -11.389 1.433 -22.570 83 HD13 ILE 10 HD13 ILE 10 -11.179 0.922 -20.896 84 H GLY 11 H GLY 11 -5.093 0.161 -23.927 85 HA2 GLY 11 HA2 GLY 11 -5.146 1.874 -26.218 86 HA3 GLY 11 HA3 GLY 11 -3.758 0.976 -25.621 87 H ARG 12 H ARG 12 -6.390 1.031 -27.855 88 HA ARG 12 HA ARG 12 -5.232 -1.289 -29.219 89 HB2 ARG 12 HB2 ARG 12 -8.131 -0.936 -28.471 90 HB3 ARG 12 HB3 ARG 12 -7.619 -2.009 -29.767 91 HG2 ARG 12 HG2 ARG 12 -6.310 -2.326 -27.127 92 HG3 ARG 12 HG3 ARG 12 -7.985 -2.858 -27.289 93 HD2 ARG 12 HD2 ARG 12 -5.780 -3.693 -29.162 94 HD3 ARG 12 HD3 ARG 12 -6.251 -4.619 -27.737 95 HE ARG 12 HE ARG 12 -7.628 -4.493 -30.240 96 HH11 ARG 12 HH11 ARG 12 -8.030 -4.962 -26.814 97 HH12 ARG 12 HH12 ARG 12 -9.483 -5.890 -26.979 98 HH21 ARG 12 HH21 ARG 12 -9.542 -5.713 -30.470 99 HH22 ARG 12 HH22 ARG 12 -10.342 -6.318 -29.059 100 H SER 13 H SER 13 -4.740 1.306 -29.918 101 HA SER 13 HA SER 13 -6.293 1.584 -32.405 102 HB2 SER 13 HB2 SER 13 -6.694 3.353 -30.540 103 HB3 SER 13 HB3 SER 13 -5.109 3.969 -31.008 104 HG SER 13 HG SER 13 -6.196 3.772 -33.256 105 H SER 14 H SER 14 -3.426 0.722 -31.225 106 HA SER 14 HA SER 14 -1.272 0.679 -31.971 107 HB2 SER 14 HB2 SER 14 -2.914 0.805 -34.475 108 HB3 SER 14 HB3 SER 14 -1.155 0.866 -34.590 109 HG SER 14 HG SER 14 -1.327 -1.229 -34.488 110 H LYS 15 H LYS 15 -2.350 3.265 -31.164 111 HA LYS 15 HA LYS 15 -1.448 5.303 -32.916 112 HB2 LYS 15 HB2 LYS 15 -1.921 6.818 -31.171 113 HB3 LYS 15 HB3 LYS 15 -3.100 5.526 -30.986 114 HG2 LYS 15 HG2 LYS 15 -0.531 5.498 -29.450 115 HG3 LYS 15 HG3 LYS 15 -1.923 6.430 -28.893 116 HD2 LYS 15 HD2 LYS 15 -2.605 4.548 -27.900 117 HD3 LYS 15 HD3 LYS 15 -3.007 3.970 -29.519 118 HE2 LYS 15 HE2 LYS 15 -1.640 2.348 -28.302 119 HE3 LYS 15 HE3 LYS 15 -0.797 2.965 -29.722 120 HZ1 LYS 15 HZ1 LYS 15 -0.312 4.432 -27.275 121 HZ2 LYS 15 HZ2 LYS 15 0.774 3.929 -28.470 122 HZ3 LYS 15 HZ3 LYS 15 0.271 2.843 -27.274 123 H ILE 16 H ILE 16 0.433 6.512 -32.913 124 HA ILE 16 HA ILE 16 2.519 6.176 -31.017 125 HB ILE 16 HB ILE 16 4.039 5.298 -33.089 126 HG12 ILE 16 HG12 ILE 16 1.525 3.630 -33.216 127 HG13 ILE 16 HG13 ILE 16 1.888 4.902 -34.379 128 HG21 ILE 16 HG21 ILE 16 4.440 3.456 -31.779 129 HG22 ILE 16 HG22 ILE 16 3.690 4.538 -30.607 130 HG23 ILE 16 HG23 ILE 16 2.741 3.253 -31.353 131 HD11 ILE 16 HD11 ILE 16 3.066 2.218 -34.069 132 HD12 ILE 16 HD12 ILE 16 2.748 3.164 -35.523 133 HD13 ILE 16 HD13 ILE 16 4.164 3.517 -34.534 134 H ILE 17 H ILE 17 4.584 7.243 -31.802 135 HA ILE 17 HA ILE 17 3.903 9.457 -33.625 136 HB ILE 17 HB ILE 17 5.508 10.843 -32.376 137 HG12 ILE 17 HG12 ILE 17 6.689 8.649 -31.513 138 HG13 ILE 17 HG13 ILE 17 6.711 10.118 -30.544 139 HG21 ILE 17 HG21 ILE 17 3.228 11.080 -31.763 140 HG22 ILE 17 HG22 ILE 17 3.262 9.598 -30.809 141 HG23 ILE 17 HG23 ILE 17 4.153 11.019 -30.263 142 HD11 ILE 17 HD11 ILE 17 5.307 9.264 -28.972 143 HD12 ILE 17 HD12 ILE 17 4.497 8.192 -30.115 144 HD13 ILE 17 HD13 ILE 17 6.100 7.782 -29.507 145 H LEU 18 H LEU 18 5.849 10.486 -34.649 146 HA LEU 18 HA LEU 18 7.883 8.457 -35.302 147 HB2 LEU 18 HB2 LEU 18 6.135 8.942 -37.085 148 HB3 LEU 18 HB3 LEU 18 6.876 10.535 -37.225 149 HG LEU 18 HG LEU 18 8.411 7.979 -37.640 150 HD11 LEU 18 HD11 LEU 18 6.376 9.083 -39.299 151 HD12 LEU 18 HD12 LEU 18 7.410 7.686 -39.593 152 HD13 LEU 18 HD13 LEU 18 7.938 9.293 -40.093 153 HD21 LEU 18 HD21 LEU 18 9.525 9.973 -39.153 154 HD22 LEU 18 HD22 LEU 18 10.094 9.449 -37.568 155 HD23 LEU 18 HD23 LEU 18 9.011 10.835 -37.703 156 HA PRO 19 HA PRO 19 10.417 11.810 -33.692 157 HB2 PRO 19 HB2 PRO 19 12.680 10.318 -33.528 158 HB3 PRO 19 HB3 PRO 19 11.394 10.250 -32.317 159 HG2 PRO 19 HG2 PRO 19 11.948 8.392 -34.598 160 HG3 PRO 19 HG3 PRO 19 11.496 8.009 -32.926 161 HD2 PRO 19 HD2 PRO 19 9.711 7.978 -34.963 162 HD3 PRO 19 HD3 PRO 19 9.260 8.422 -33.304 163 H ALA 20 H ALA 20 11.867 13.187 -34.640 164 HA ALA 20 HA ALA 20 13.645 12.572 -36.708 165 HB1 ALA 20 HB1 ALA 20 10.895 13.125 -37.563 166 HB2 ALA 20 HB2 ALA 20 12.130 14.077 -38.389 167 HB3 ALA 20 HB3 ALA 20 12.211 12.315 -38.414 168 H CYS 21 H CYS 21 11.396 15.320 -36.554 169 HA CYS 21 HA CYS 21 13.500 16.991 -35.406 170 HB2 CYS 21 HB2 CYS 21 12.970 18.762 -37.152 171 HB3 CYS 21 HB3 CYS 21 13.903 17.377 -37.711 172 H MET 22 H MET 22 10.148 16.737 -36.510 173 HA MET 22 HA MET 22 9.384 18.732 -34.487 174 HB2 MET 22 HB2 MET 22 8.650 18.453 -37.194 175 HB3 MET 22 HB3 MET 22 7.228 18.019 -36.255 176 HG2 MET 22 HG2 MET 22 8.253 20.325 -35.053 177 HG3 MET 22 HG3 MET 22 8.345 20.604 -36.790 178 HE1 MET 22 HE1 MET 22 5.044 21.938 -37.520 179 HE2 MET 22 HE2 MET 22 6.386 22.674 -36.644 180 HE3 MET 22 HE3 MET 22 6.705 21.598 -38.005 181 H HIS 23 H HIS 23 6.734 18.156 -34.180 182 HA HIS 23 HA HIS 23 6.821 15.502 -32.908 183 HB2 HIS 23 HB2 HIS 23 5.689 18.114 -32.085 184 HB3 HIS 23 HB3 HIS 23 4.730 16.692 -31.688 185 HD1 HIS 23 HD1 HIS 23 5.309 17.427 -29.167 186 HD2 HIS 23 HD2 HIS 23 8.478 15.996 -31.440 187 HE1 HIS 23 HE1 HIS 23 7.112 16.843 -27.514 188 H GLU 24 H GLU 24 5.827 14.045 -34.143 189 HA GLU 24 HA GLU 24 3.227 14.776 -35.321 190 HB2 GLU 24 HB2 GLU 24 3.743 13.106 -37.119 191 HB3 GLU 24 HB3 GLU 24 4.762 14.538 -37.137 192 HG2 GLU 24 HG2 GLU 24 6.326 13.001 -35.662 193 HG3 GLU 24 HG3 GLU 24 5.449 11.725 -36.505 194 H THR 25 H THR 25 1.812 12.862 -35.731 195 HA THR 25 HA THR 25 2.296 10.492 -34.158 196 HB THR 25 HB THR 25 -0.151 12.063 -33.397 197 HG1 THR 25 HG1 THR 25 1.276 12.512 -31.440 198 HG21 THR 25 HG21 THR 25 -0.292 9.801 -32.740 199 HG22 THR 25 HG22 THR 25 0.204 10.672 -31.289 200 HG23 THR 25 HG23 THR 25 1.393 9.763 -32.222 201 H CYS 26 H CYS 26 0.498 8.925 -34.343 202 HA CYS 26 HA CYS 26 -1.493 9.408 -36.379 203 HB2 CYS 26 HB2 CYS 26 0.829 8.671 -37.428 204 HB3 CYS 26 HB3 CYS 26 0.276 7.071 -36.945 205 H SER 27 H SER 27 -3.180 7.941 -36.320 206 HA SER 27 HA SER 27 -3.053 5.471 -34.907 207 HB2 SER 27 HB2 SER 27 -3.053 7.107 -33.008 208 HB3 SER 27 HB3 SER 27 -4.628 7.676 -33.559 209 HG SER 27 HG SER 27 -5.534 5.798 -32.974 210 H GLY 28 H GLY 28 -4.529 4.177 -35.787 211 HA2 GLY 28 HA2 GLY 28 -7.078 5.319 -36.693 212 HA3 GLY 28 HA3 GLY 28 -6.091 4.445 -37.855 213 H GLY 29 H GLY 29 -8.083 4.182 -34.994 214 HA2 GLY 29 HA2 GLY 29 -8.979 1.590 -35.672 215 HA3 GLY 29 HA3 GLY 29 -7.752 1.469 -34.419 216 H PHE 30 H PHE 30 -8.180 3.349 -32.671 217 HA PHE 30 HA PHE 30 -11.026 3.155 -31.935 218 HB2 PHE 30 HB2 PHE 30 -9.799 1.657 -30.503 219 HB3 PHE 30 HB3 PHE 30 -8.597 2.896 -30.156 220 HD1 PHE 30 HD2 PHE 30 -12.315 2.572 -29.990 221 HD2 PHE 30 HD1 PHE 30 -8.726 3.813 -28.068 222 HE1 PHE 30 HE2 PHE 30 -13.615 3.274 -28.023 223 HE2 PHE 30 HE1 PHE 30 -10.021 4.517 -26.098 224 HZ PHE 30 HZ PHE 30 -12.469 4.249 -26.074 225 H SER 31 H SER 31 -8.061 5.037 -31.812 226 HA SER 31 HA SER 31 -9.445 7.315 -30.639 227 HB2 SER 31 HB2 SER 31 -6.564 6.777 -31.348 228 HB3 SER 31 HB3 SER 31 -7.123 8.379 -30.869 229 HG SER 31 HG SER 31 -7.988 7.262 -28.950 230 H LEU 32 H LEU 32 -7.822 6.418 -33.654 231 HA LEU 32 HA LEU 32 -7.854 7.320 -35.742 232 HB2 LEU 32 HB2 LEU 32 -10.244 6.793 -35.493 233 HB3 LEU 32 HB3 LEU 32 -10.516 8.401 -34.824 234 HG LEU 32 HG LEU 32 -9.609 9.259 -37.078 235 HD11 LEU 32 HD11 LEU 32 -8.693 7.274 -37.996 236 HD12 LEU 32 HD12 LEU 32 -10.130 7.658 -38.944 237 HD13 LEU 32 HD13 LEU 32 -10.190 6.380 -37.730 238 HD21 LEU 32 HD21 LEU 32 -12.271 7.871 -36.816 239 HD22 LEU 32 HD22 LEU 32 -11.856 8.987 -38.116 240 HD23 LEU 32 HD23 LEU 32 -11.901 9.555 -36.447 241 H LYS 33 H LYS 33 -6.088 8.710 -34.846 242 HA LYS 33 HA LYS 33 -6.692 11.483 -35.451 243 HB2 LYS 33 HB2 LYS 33 -5.338 10.773 -32.846 244 HB3 LYS 33 HB3 LYS 33 -5.749 12.383 -33.421 245 HG2 LYS 33 HG2 LYS 33 -8.118 11.859 -33.244 246 HG3 LYS 33 HG3 LYS 33 -7.725 10.225 -32.706 247 HD2 LYS 33 HD2 LYS 33 -8.074 11.258 -30.687 248 HD3 LYS 33 HD3 LYS 33 -6.338 11.511 -30.878 249 HE2 LYS 33 HE2 LYS 33 -6.587 13.749 -31.377 250 HE3 LYS 33 HE3 LYS 33 -8.243 13.546 -31.946 251 HZ1 LYS 33 HZ1 LYS 33 -8.699 12.954 -29.488 252 HZ2 LYS 33 HZ2 LYS 33 -8.535 14.579 -29.928 253 HZ3 LYS 33 HZ3 LYS 33 -7.248 13.770 -29.186 254 H ASN 34 H ASN 34 -4.534 12.799 -35.225 255 HA ASN 34 HA ASN 34 -2.071 11.444 -35.486 256 HB2 ASN 34 HB2 ASN 34 -1.928 12.310 -38.031 257 HB3 ASN 34 HB3 ASN 34 -2.416 10.673 -37.602 258 HD21 ASN 34 HD21 ASN 34 -4.044 13.827 -37.591 259 HD22 ASN 34 HD22 ASN 34 -5.400 13.319 -38.534 260 H ASP 35 H ASP 35 -0.313 12.863 -35.689 261 HA ASP 35 HA ASP 35 -1.032 15.714 -35.498 262 HB2 ASP 35 HB2 ASP 35 0.019 14.437 -33.478 263 HB3 ASP 35 HB3 ASP 35 1.520 14.596 -34.386 264 H CYS 36 H CYS 36 -0.141 17.108 -36.894 265 HA CYS 36 HA CYS 36 1.074 16.320 -39.240 266 HB2 CYS 36 HB2 CYS 36 0.688 18.879 -37.826 267 HB3 CYS 36 HB3 CYS 36 2.013 18.865 -38.986 268 H TRP 37 H TRP 37 3.299 17.178 -39.980 269 HA TRP 37 HA TRP 37 5.297 16.419 -37.950 270 HB2 TRP 37 HB2 TRP 37 6.690 15.604 -39.838 271 HB3 TRP 37 HB3 TRP 37 5.167 14.732 -39.687 272 HD1 TRP 37 HD1 TRP 37 3.221 15.411 -41.524 273 HE1 TRP 37 HE1 TRP 37 3.479 16.165 -43.971 274 HE3 TRP 37 HE3 TRP 37 8.129 16.839 -41.421 275 HZ2 TRP 37 HZ2 TRP 37 5.496 17.225 -45.638 276 HZ3 TRP 37 HZ3 TRP 37 9.147 17.712 -43.484 277 HH2 TRP 37 HH2 TRP 37 7.856 17.899 -45.548 278 H CYS 38 H CYS 38 7.589 17.115 -39.286 279 HA CYS 38 HA CYS 38 8.045 19.713 -38.639 280 HB2 CYS 38 HB2 CYS 38 9.399 17.708 -40.175 281 HB3 CYS 38 HB3 CYS 38 9.569 19.261 -40.987 282 H CYS 39 H CYS 39 8.252 21.680 -39.841 283 HA CYS 39 HA CYS 39 6.273 21.879 -42.009 284 HB2 CYS 39 HB2 CYS 39 6.428 23.297 -39.650 285 HB3 CYS 39 HB3 CYS 39 7.177 24.393 -40.807 286 H LEU 40 H LEU 40 6.979 24.370 -42.998 287 HA LEU 40 HA LEU 40 8.946 23.725 -44.878 288 HB2 LEU 40 HB2 LEU 40 7.086 25.563 -44.850 289 HB3 LEU 40 HB3 LEU 40 8.364 26.566 -44.168 290 HG LEU 40 HG LEU 40 8.123 26.892 -46.583 291 HD11 LEU 40 HD11 LEU 40 10.413 26.846 -47.108 292 HD12 LEU 40 HD12 LEU 40 10.711 25.460 -46.060 293 HD13 LEU 40 HD13 LEU 40 10.341 27.034 -45.356 294 HD21 LEU 40 HD21 LEU 40 7.451 24.393 -46.875 295 HD22 LEU 40 HD22 LEU 40 9.187 24.140 -47.057 296 HD23 LEU 40 HD23 LEU 40 8.332 25.221 -48.159 297 H ARG 41 H ARG 41 9.204 26.294 -42.415 298 HA ARG 41 HA ARG 41 11.909 25.445 -41.780 299 HB2 ARG 41 HB2 ARG 41 12.457 26.886 -43.572 300 HB3 ARG 41 HB3 ARG 41 11.256 28.077 -43.086 301 HG2 ARG 41 HG2 ARG 41 13.306 27.547 -41.066 302 HG3 ARG 41 HG3 ARG 41 13.919 28.237 -42.571 303 HD2 ARG 41 HD2 ARG 41 11.829 29.840 -42.235 304 HD3 ARG 41 HD3 ARG 41 12.084 29.400 -40.547 305 HE ARG 41 HE ARG 41 14.463 30.266 -41.924 306 HH11 ARG 41 HH11 ARG 41 11.694 31.241 -40.053 307 HH12 ARG 41 HH12 ARG 41 12.424 32.711 -39.497 308 HH21 ARG 41 HH21 ARG 41 15.435 32.198 -41.199 309 HH22 ARG 41 HH22 ARG 41 14.552 33.254 -40.150 310 H LEU 42 H LEU 42 12.139 25.539 -39.651 311 HA LEU 42 HA LEU 42 10.940 27.741 -38.154 312 HB2 LEU 42 HB2 LEU 42 10.253 25.971 -36.408 313 HB3 LEU 42 HB3 LEU 42 9.221 26.242 -37.811 314 HG LEU 42 HG LEU 42 11.152 24.134 -38.291 315 HD11 LEU 42 HD11 LEU 42 9.125 23.259 -36.328 316 HD12 LEU 42 HD12 LEU 42 10.518 24.133 -35.693 317 HD13 LEU 42 HD13 LEU 42 10.756 22.656 -36.628 318 HD21 LEU 42 HD21 LEU 42 8.657 24.883 -39.166 319 HD22 LEU 42 HD22 LEU 42 8.319 23.456 -38.185 320 HD23 LEU 42 HD23 LEU 42 9.462 23.355 -39.526 321 H LYS 43 H LYS 43 12.060 28.321 -36.330 322 HA LYS 43 HA LYS 43 14.657 27.003 -35.976 323 HB2 LYS 43 HB2 LYS 43 15.316 29.083 -34.810 324 HB3 LYS 43 HB3 LYS 43 14.782 29.375 -36.460 325 HG2 LYS 43 HG2 LYS 43 12.721 30.273 -35.734 326 HG3 LYS 43 HG3 LYS 43 12.972 29.700 -34.084 327 HD2 LYS 43 HD2 LYS 43 14.024 31.586 -33.551 328 HD3 LYS 43 HD3 LYS 43 15.177 31.351 -34.866 329 HE2 LYS 43 HE2 LYS 43 13.902 32.595 -36.367 330 HE3 LYS 43 HE3 LYS 43 12.434 32.427 -35.405 331 HZ1 LYS 43 HZ1 LYS 43 13.685 34.656 -35.389 332 HZ2 LYS 43 HZ2 LYS 43 14.757 33.887 -34.331 333 HZ3 LYS 43 HZ3 LYS 43 13.123 34.035 -33.919 334 H THR 44 H THR 44 11.632 27.521 -34.441 335 HA THR 44 HA THR 44 12.693 26.334 -31.960 336 HB THR 44 HB THR 44 12.008 28.689 -31.613 337 HG1 THR 44 HG1 THR 44 11.752 27.052 -29.947 338 HG21 THR 44 HG21 THR 44 9.205 27.743 -32.203 339 HG22 THR 44 HG22 THR 44 10.193 28.644 -33.353 340 HG23 THR 44 HG23 THR 44 9.731 29.382 -31.820 341 H LYS 45 H LYS 45 9.929 26.614 -34.143 342 HA LYS 45 HA LYS 45 9.264 23.924 -34.117 343 HB2 LYS 45 HB2 LYS 45 8.622 23.972 -31.858 344 HB3 LYS 45 HB3 LYS 45 7.866 25.553 -32.013 345 HG2 LYS 45 HG2 LYS 45 6.066 24.586 -33.329 346 HG3 LYS 45 HG3 LYS 45 6.834 22.999 -33.234 347 HD2 LYS 45 HD2 LYS 45 6.710 23.513 -30.634 348 HD3 LYS 45 HD3 LYS 45 5.369 24.537 -31.153 349 HE2 LYS 45 HE2 LYS 45 5.159 22.029 -32.481 350 HE3 LYS 45 HE3 LYS 45 5.405 21.727 -30.762 351 HZ1 LYS 45 HZ1 LYS 45 3.088 21.919 -31.124 352 HZ2 LYS 45 HZ2 LYS 45 3.261 23.344 -32.019 353 HZ3 LYS 45 HZ3 LYS 45 3.568 23.348 -30.355 354 H GLN 46 H GLN 46 8.133 27.233 -34.333 355 HA GLN 46 HA GLN 46 6.611 26.492 -36.730 356 HB2 GLN 46 HB2 GLN 46 4.825 28.076 -36.087 357 HB3 GLN 46 HB3 GLN 46 4.966 26.728 -34.967 358 HG2 GLN 46 HG2 GLN 46 5.081 28.185 -33.313 359 HG3 GLN 46 HG3 GLN 46 6.633 28.726 -33.950 360 HE21 GLN 46 HE21 GLN 46 6.745 30.616 -35.126 361 HE22 GLN 46 HE22 GLN 46 5.446 31.753 -35.192 362 H ALA 47 H ALA 47 6.314 28.222 -38.250 363 HA ALA 47 HA ALA 47 7.290 30.812 -37.993 364 HB1 ALA 47 HB1 ALA 47 9.500 30.569 -37.990 365 HB2 ALA 47 HB2 ALA 47 9.375 28.843 -38.335 366 HB3 ALA 47 HB3 ALA 47 9.368 30.009 -39.658 367 H ARG 48 H ARG 48 8.089 28.529 -40.595 368 HA ARG 48 HA ARG 48 6.152 29.944 -42.307 369 HB2 ARG 48 HB2 ARG 48 8.947 29.028 -42.816 370 HB3 ARG 48 HB3 ARG 48 7.803 29.001 -44.151 371 HG2 ARG 48 HG2 ARG 48 8.113 31.164 -44.480 372 HG3 ARG 48 HG3 ARG 48 7.573 31.508 -42.836 373 HD2 ARG 48 HD2 ARG 48 10.000 30.761 -42.205 374 HD3 ARG 48 HD3 ARG 48 10.341 31.143 -43.892 375 HE ARG 48 HE ARG 48 8.956 33.223 -42.453 376 HH11 ARG 48 HH11 ARG 48 12.047 31.892 -43.346 377 HH12 ARG 48 HH12 ARG 48 12.900 33.384 -43.125 378 HH21 ARG 48 HH21 ARG 48 10.068 35.193 -42.158 379 HH22 ARG 48 HH22 ARG 48 11.773 35.260 -42.448 380 H CYS 49 H CYS 49 4.568 28.749 -43.128 381 HA CYS 49 HA CYS 49 4.979 25.968 -43.810 382 HB2 CYS 49 HB2 CYS 49 3.635 26.771 -41.347 383 HB3 CYS 49 HB3 CYS 49 2.616 25.770 -42.376 384 H TRP 50 H TRP 50 2.635 25.056 -44.448 385 HA TRP 50 HA TRP 50 1.398 27.134 -46.134 386 HB2 TRP 50 HB2 TRP 50 0.792 25.173 -47.649 387 HB3 TRP 50 HB3 TRP 50 2.491 25.635 -47.604 388 HD1 TRP 50 HD1 TRP 50 0.220 22.717 -47.067 389 HE1 TRP 50 HE1 TRP 50 1.580 20.681 -46.273 390 HE3 TRP 50 HE3 TRP 50 4.652 25.051 -46.044 391 HZ2 TRP 50 HZ2 TRP 50 4.187 20.137 -45.336 392 HZ3 TRP 50 HZ3 TRP 50 6.529 23.701 -45.202 393 HH2 TRP 50 HH2 TRP 50 6.299 21.295 -44.855 394 H LYS 51 H LYS 51 -0.721 27.475 -45.908 395 HA LYS 51 HA LYS 51 -2.180 26.152 -43.852 396 HB2 LYS 51 HB2 LYS 51 -3.025 28.130 -45.972 397 HB3 LYS 51 HB3 LYS 51 -4.097 27.542 -44.708 398 HG2 LYS 51 HG2 LYS 51 -1.491 28.730 -43.914 399 HG3 LYS 51 HG3 LYS 51 -2.785 29.803 -44.453 400 HD2 LYS 51 HD2 LYS 51 -4.281 28.683 -42.777 401 HD3 LYS 51 HD3 LYS 51 -2.854 27.846 -42.161 402 HE2 LYS 51 HE2 LYS 51 -1.815 30.137 -41.856 403 HE3 LYS 51 HE3 LYS 51 -3.417 30.803 -42.173 404 HZ1 LYS 51 HZ1 LYS 51 -3.733 28.819 -40.260 405 HZ2 LYS 51 HZ2 LYS 51 -3.883 30.490 -40.046 406 HZ3 LYS 51 HZ3 LYS 51 -2.395 29.732 -39.773 407 H GLU 52 H GLU 52 -3.727 24.599 -43.960 408 HA GLU 52 HA GLU 52 -3.734 22.816 -46.135 409 HB2 GLU 52 HB2 GLU 52 -5.891 23.017 -44.035 410 HB3 GLU 52 HB3 GLU 52 -5.410 21.594 -44.949 411 HG2 GLU 52 HG2 GLU 52 -3.930 21.048 -43.405 412 HG3 GLU 52 HG3 GLU 52 -3.147 22.621 -43.542 413 H LYS 53 H LYS 53 -5.605 25.639 -45.448 414 HA LYS 53 HA LYS 53 -7.782 25.034 -47.206 415 HB2 LYS 53 HB2 LYS 53 -8.444 27.358 -46.858 416 HB3 LYS 53 HB3 LYS 53 -8.039 26.593 -45.328 417 HG2 LYS 53 HG2 LYS 53 -5.655 27.661 -45.949 418 HG3 LYS 53 HG3 LYS 53 -6.727 28.817 -46.744 419 HD2 LYS 53 HD2 LYS 53 -8.011 28.827 -44.507 420 HD3 LYS 53 HD3 LYS 53 -6.551 28.093 -43.837 421 HE2 LYS 53 HE2 LYS 53 -5.639 30.110 -43.672 422 HE3 LYS 53 HE3 LYS 53 -5.730 30.280 -45.425 423 HZ1 LYS 53 HZ1 LYS 53 -6.964 31.904 -43.715 424 HZ2 LYS 53 HZ2 LYS 53 -8.199 30.779 -43.984 425 HZ3 LYS 53 HZ3 LYS 53 -7.516 31.614 -45.288 426 H GLU 54 H GLU 54 -4.762 26.837 -47.468 427 HA GLU 54 HA GLU 54 -5.359 27.568 -50.226 428 HB2 GLU 54 HB2 GLU 54 -3.110 28.255 -48.343 429 HB3 GLU 54 HB3 GLU 54 -3.056 28.668 -50.050 430 HG2 GLU 54 HG2 GLU 54 -5.549 29.547 -49.103 431 HG3 GLU 54 HG3 GLU 54 -4.355 30.025 -47.898 432 H PHE 55 H PHE 55 -3.877 25.054 -48.530 433 HA PHE 55 HA PHE 55 -2.715 24.033 -51.016 434 HB2 PHE 55 HB2 PHE 55 -1.284 24.358 -48.389 435 HB3 PHE 55 HB3 PHE 55 -0.790 23.128 -49.547 436 HD1 PHE 55 HD1 PHE 55 -1.075 26.735 -48.933 437 HD2 PHE 55 HD2 PHE 55 0.346 23.708 -51.566 438 HE1 PHE 55 HE1 PHE 55 0.266 28.413 -50.134 439 HE2 PHE 55 HE2 PHE 55 1.689 25.380 -52.770 440 HZ PHE 55 HZ PHE 55 1.651 27.737 -52.054 441 HA PRO 56 HA PRO 56 -5.207 20.632 -49.512 442 HB2 PRO 56 HB2 PRO 56 -4.918 19.112 -51.743 443 HB3 PRO 56 HB3 PRO 56 -6.035 20.478 -51.649 444 HG2 PRO 56 HG2 PRO 56 -3.292 20.351 -52.843 445 HG3 PRO 56 HG3 PRO 56 -4.755 21.125 -53.481 446 HD2 PRO 56 HD2 PRO 56 -2.795 22.518 -52.236 447 HD3 PRO 56 HD3 PRO 56 -4.505 22.986 -52.145 448 H ASN 57 H ASN 57 -1.913 20.553 -50.653 449 HA ASN 57 HA ASN 57 -1.342 17.844 -50.092 450 HB2 ASN 57 HB2 ASN 57 0.108 20.184 -50.945 451 HB3 ASN 57 HB3 ASN 57 1.023 19.331 -49.705 452 HD21 ASN 57 HD21 ASN 57 0.877 16.829 -50.068 453 HD22 ASN 57 HD22 ASN 57 1.265 16.322 -51.673 454 H ALA 58 H ALA 58 -1.601 20.662 -48.096 455 HA ALA 58 HA ALA 58 -0.061 19.863 -45.893 456 HB1 ALA 58 HB1 ALA 58 -1.570 22.062 -46.530 457 HB2 ALA 58 HB2 ALA 58 -2.469 21.349 -45.189 458 HB3 ALA 58 HB3 ALA 58 -0.770 21.776 -44.984 459 H LYS 59 H LYS 59 -3.544 19.455 -46.515 460 HA LYS 59 HA LYS 59 -4.017 17.950 -44.149 461 HB2 LYS 59 HB2 LYS 59 -6.195 17.395 -45.250 462 HB3 LYS 59 HB3 LYS 59 -5.854 19.118 -45.155 463 HG2 LYS 59 HG2 LYS 59 -5.548 19.325 -47.417 464 HG3 LYS 59 HG3 LYS 59 -5.095 17.631 -47.621 465 HD2 LYS 59 HD2 LYS 59 -7.828 18.058 -46.639 466 HD3 LYS 59 HD3 LYS 59 -7.525 18.680 -48.262 467 HE2 LYS 59 HE2 LYS 59 -6.311 16.167 -48.197 468 HE3 LYS 59 HE3 LYS 59 -7.851 15.957 -47.365 469 HZ1 LYS 59 HZ1 LYS 59 -7.345 16.772 -50.147 470 HZ2 LYS 59 HZ2 LYS 59 -8.780 17.242 -49.385 471 HZ3 LYS 59 HZ3 LYS 59 -8.410 15.600 -49.554 472 H GLU 60 H GLU 60 -3.251 17.113 -47.480 473 HA GLU 60 HA GLU 60 -3.748 14.336 -47.259 474 HB2 GLU 60 HB2 GLU 60 -2.473 16.143 -49.200 475 HB3 GLU 60 HB3 GLU 60 -1.834 14.506 -49.199 476 HG2 GLU 60 HG2 GLU 60 -4.585 14.170 -49.139 477 HG3 GLU 60 HG3 GLU 60 -4.326 15.517 -50.246 478 H LEU 61 H LEU 61 -0.813 16.286 -46.875 479 HA LEU 61 HA LEU 61 0.894 14.067 -46.360 480 HB2 LEU 61 HB2 LEU 61 1.228 16.989 -45.700 481 HB3 LEU 61 HB3 LEU 61 2.498 15.773 -45.585 482 HG LEU 61 HG LEU 61 1.133 16.238 -48.203 483 HD11 LEU 61 HD11 LEU 61 3.468 17.868 -47.226 484 HD12 LEU 61 HD12 LEU 61 1.807 18.458 -47.276 485 HD13 LEU 61 HD13 LEU 61 2.627 18.007 -48.771 486 HD21 LEU 61 HD21 LEU 61 2.597 14.383 -48.173 487 HD22 LEU 61 HD22 LEU 61 3.837 15.280 -47.295 488 HD23 LEU 61 HD23 LEU 61 3.476 15.685 -48.974 489 H CYS 62 H CYS 62 -0.938 16.292 -44.329 490 HA CYS 62 HA CYS 62 0.140 15.470 -41.852 491 HB2 CYS 62 HB2 CYS 62 -2.199 17.043 -42.758 492 HB3 CYS 62 HB3 CYS 62 -2.330 16.321 -41.157 493 H PHE 63 H PHE 63 -2.689 14.408 -43.696 494 HA PHE 63 HA PHE 63 -3.557 12.535 -41.723 495 HB2 PHE 63 HB2 PHE 63 -4.355 13.287 -44.475 496 HB3 PHE 63 HB3 PHE 63 -4.756 11.648 -43.974 497 HD1 PHE 63 HD1 PHE 63 -5.109 15.202 -42.966 498 HD2 PHE 63 HD2 PHE 63 -6.635 11.240 -42.668 499 HE1 PHE 63 HE1 PHE 63 -7.084 16.057 -41.773 500 HE2 PHE 63 HE2 PHE 63 -8.613 12.088 -41.476 501 HZ PHE 63 HZ PHE 63 -8.840 14.499 -41.028 502 H ALA 64 H ALA 64 -1.549 12.372 -44.605 503 HA ALA 64 HA ALA 64 -1.349 9.520 -44.629 504 HB1 ALA 64 HB1 ALA 64 -1.026 10.737 -46.677 505 HB2 ALA 64 HB2 ALA 64 0.317 11.641 -45.977 506 HB3 ALA 64 HB3 ALA 64 0.475 9.908 -46.264 507 H ASN 65 H ASN 65 0.438 12.128 -43.137 508 HA ASN 65 HA ASN 65 2.847 10.930 -42.547 509 HB2 ASN 65 HB2 ASN 65 3.141 12.871 -41.477 510 HB3 ASN 65 HB3 ASN 65 1.429 13.226 -41.687 511 HD21 ASN 65 HD21 ASN 65 -0.016 12.729 -40.013 512 HD22 ASN 65 HD22 ASN 65 0.531 12.500 -38.390 513 H CYS 66 H CYS 66 3.506 9.308 -41.285 514 HA CYS 66 HA CYS 66 2.090 8.502 -38.927 515 HB2 CYS 66 HB2 CYS 66 1.642 7.096 -41.473 516 HB3 CYS 66 HB3 CYS 66 2.087 6.046 -40.131 517 HA PRO 67 HA PRO 67 6.094 7.085 -37.820 518 HB2 PRO 67 HB2 PRO 67 5.478 5.153 -36.014 519 HB3 PRO 67 HB3 PRO 67 5.293 6.878 -35.676 520 HG2 PRO 67 HG2 PRO 67 3.225 4.877 -36.501 521 HG3 PRO 67 HG3 PRO 67 3.122 6.151 -35.272 522 HD2 PRO 67 HD2 PRO 67 2.050 6.422 -37.744 523 HD3 PRO 67 HD3 PRO 67 2.705 7.797 -36.831 524 HA PRO 68 HA PRO 68 7.305 3.464 -40.001 525 HB2 PRO 68 HB2 PRO 68 9.182 2.356 -38.382 526 HB3 PRO 68 HB3 PRO 68 9.457 3.846 -39.293 527 HG2 PRO 68 HG2 PRO 68 8.711 3.495 -36.415 528 HG3 PRO 68 HG3 PRO 68 9.894 4.601 -37.137 529 HD2 PRO 68 HD2 PRO 68 7.417 5.401 -36.391 530 HD3 PRO 68 HD3 PRO 68 8.278 6.118 -37.769 531 H LEU 69 H LEU 69 6.671 1.389 -40.284 532 HA LEU 69 HA LEU 69 5.378 0.061 -37.998 533 HB2 LEU 69 HB2 LEU 69 4.136 -1.226 -39.724 534 HB3 LEU 69 HB3 LEU 69 3.806 0.505 -39.730 535 HG LEU 69 HG LEU 69 5.857 -0.550 -41.614 536 HD11 LEU 69 HD11 LEU 69 2.936 -0.643 -42.297 537 HD12 LEU 69 HD12 LEU 69 3.798 -2.052 -41.679 538 HD13 LEU 69 HD13 LEU 69 4.303 -1.305 -43.195 539 HD21 LEU 69 HD21 LEU 69 3.777 1.375 -42.414 540 HD22 LEU 69 HD22 LEU 69 5.518 1.398 -42.696 541 HD23 LEU 69 HD23 LEU 69 4.869 1.915 -41.139 542 H GLU 70 H GLU 70 8.144 -0.124 -38.231 543 HA GLU 70 HA GLU 70 9.855 -1.625 -38.260 544 HB2 GLU 70 HB2 GLU 70 7.897 -2.824 -36.932 545 HB3 GLU 70 HB3 GLU 70 7.944 -3.914 -38.310 546 HG2 GLU 70 HG2 GLU 70 10.525 -3.264 -37.022 547 HG3 GLU 70 HG3 GLU 70 9.405 -4.285 -36.121 Start of MODEL 19 1 H1 GLY 1 H GLY 1 3.115 7.441 0.503 2 HA2 GLY 1 HA2 GLY 1 3.658 7.682 -1.727 3 HA3 GLY 1 HA3 GLY 1 4.856 6.412 -1.525 4 HA PRO 2 HA PRO 2 0.637 4.222 -2.477 5 HB2 PRO 2 HB2 PRO 2 -1.362 5.828 -3.369 6 HB3 PRO 2 HB3 PRO 2 -1.127 5.447 -1.659 7 HG2 PRO 2 HG2 PRO 2 -0.309 7.889 -3.186 8 HG3 PRO 2 HG3 PRO 2 -1.036 7.769 -1.573 9 HD2 PRO 2 HD2 PRO 2 1.616 8.167 -1.949 10 HD3 PRO 2 HD3 PRO 2 0.973 7.257 -0.567 11 H GLU 3 H GLU 3 -0.673 3.916 -4.588 12 HA GLU 3 HA GLU 3 1.051 3.796 -6.742 13 HB2 GLU 3 HB2 GLU 3 -1.306 2.713 -6.319 14 HB3 GLU 3 HB3 GLU 3 -1.886 4.101 -7.227 15 HG2 GLU 3 HG2 GLU 3 -0.384 3.469 -9.082 16 HG3 GLU 3 HG3 GLU 3 0.079 2.030 -8.177 17 H LYS 4 H LYS 4 2.080 5.517 -7.550 18 HA LYS 4 HA LYS 4 0.470 7.878 -8.272 19 HB2 LYS 4 HB2 LYS 4 2.603 9.163 -8.120 20 HB3 LYS 4 HB3 LYS 4 2.075 8.482 -6.587 21 HG2 LYS 4 HG2 LYS 4 3.862 7.127 -6.420 22 HG3 LYS 4 HG3 LYS 4 3.911 6.801 -8.154 23 HD2 LYS 4 HD2 LYS 4 4.985 8.904 -8.580 24 HD3 LYS 4 HD3 LYS 4 4.775 9.404 -6.900 25 HE2 LYS 4 HE2 LYS 4 6.842 8.618 -6.581 26 HE3 LYS 4 HE3 LYS 4 6.108 7.017 -6.658 27 HZ1 LYS 4 HZ1 LYS 4 8.101 7.798 -8.232 28 HZ2 LYS 4 HZ2 LYS 4 6.788 8.221 -9.211 29 HZ3 LYS 4 HZ3 LYS 4 6.969 6.624 -8.683 30 H MET 5 H MET 5 0.410 5.847 -10.043 31 HA MET 5 HA MET 5 1.922 6.959 -12.280 32 HB2 MET 5 HB2 MET 5 2.593 4.725 -13.062 33 HB3 MET 5 HB3 MET 5 3.309 5.114 -11.504 34 HG2 MET 5 HG2 MET 5 1.509 3.782 -10.420 35 HG3 MET 5 HG3 MET 5 0.973 3.295 -12.026 36 HE1 MET 5 HE1 MET 5 1.181 1.347 -12.618 37 HE2 MET 5 HE2 MET 5 2.665 0.445 -12.927 38 HE3 MET 5 HE3 MET 5 1.797 0.222 -11.407 39 H GLU 6 H GLU 6 1.202 5.598 -14.355 40 HA GLU 6 HA GLU 6 -1.674 5.045 -14.199 41 HB2 GLU 6 HB2 GLU 6 -0.407 7.298 -15.545 42 HB3 GLU 6 HB3 GLU 6 -1.382 6.329 -16.640 43 HG2 GLU 6 HG2 GLU 6 -3.295 6.566 -15.120 44 HG3 GLU 6 HG3 GLU 6 -2.312 7.582 -14.067 45 H VAL 7 H VAL 7 -2.380 3.440 -15.521 46 HA VAL 7 HA VAL 7 -1.004 2.557 -17.841 47 HB VAL 7 HB VAL 7 0.555 1.683 -16.120 48 HG11 VAL 7 HG11 VAL 7 -0.079 0.454 -14.350 49 HG12 VAL 7 HG12 VAL 7 -1.674 1.145 -14.657 50 HG13 VAL 7 HG13 VAL 7 -1.270 -0.455 -15.280 51 HG21 VAL 7 HG21 VAL 7 0.490 0.540 -18.207 52 HG22 VAL 7 HG22 VAL 7 0.527 -0.690 -16.943 53 HG23 VAL 7 HG23 VAL 7 -0.988 -0.314 -17.765 54 H LYS 8 H LYS 8 -2.266 1.232 -19.068 55 HA LYS 8 HA LYS 8 -4.757 0.250 -17.834 56 HB2 LYS 8 HB2 LYS 8 -4.515 2.202 -19.818 57 HB3 LYS 8 HB3 LYS 8 -4.990 0.746 -20.683 58 HG2 LYS 8 HG2 LYS 8 -7.051 0.705 -19.761 59 HG3 LYS 8 HG3 LYS 8 -6.496 1.359 -18.218 60 HD2 LYS 8 HD2 LYS 8 -6.908 3.481 -18.837 61 HD3 LYS 8 HD3 LYS 8 -6.282 3.227 -20.468 62 HE2 LYS 8 HE2 LYS 8 -8.768 1.801 -20.008 63 HE3 LYS 8 HE3 LYS 8 -8.939 3.536 -19.743 64 HZ1 LYS 8 HZ1 LYS 8 -7.601 2.514 -22.164 65 HZ2 LYS 8 HZ2 LYS 8 -8.353 4.008 -21.916 66 HZ3 LYS 8 HZ3 LYS 8 -9.289 2.610 -22.093 67 H GLU 9 H GLU 9 -5.800 -1.176 -19.898 68 HA GLU 9 HA GLU 9 -3.716 -3.095 -20.674 69 HB2 GLU 9 HB2 GLU 9 -6.019 -3.551 -18.908 70 HB3 GLU 9 HB3 GLU 9 -5.869 -4.724 -20.209 71 HG2 GLU 9 HG2 GLU 9 -3.534 -5.139 -19.506 72 HG3 GLU 9 HG3 GLU 9 -3.789 -4.052 -18.142 73 H ILE 10 H ILE 10 -5.458 -0.967 -21.985 74 HA ILE 10 HA ILE 10 -6.955 -2.605 -23.891 75 HB ILE 10 HB ILE 10 -6.802 0.405 -23.817 76 HG12 ILE 10 HG12 ILE 10 -7.618 -0.456 -21.652 77 HG13 ILE 10 HG13 ILE 10 -8.886 0.376 -22.545 78 HG21 ILE 10 HG21 ILE 10 -9.281 -0.571 -24.751 79 HG22 ILE 10 HG22 ILE 10 -8.030 0.276 -25.659 80 HG23 ILE 10 HG23 ILE 10 -8.015 -1.485 -25.572 81 HD11 ILE 10 HD11 ILE 10 -9.581 -1.737 -21.411 82 HD12 ILE 10 HD12 ILE 10 -9.917 -1.676 -23.142 83 HD13 ILE 10 HD13 ILE 10 -8.546 -2.609 -22.541 84 H GLY 11 H GLY 11 -4.526 -3.284 -24.380 85 HA2 GLY 11 HA2 GLY 11 -3.433 -1.477 -26.433 86 HA3 GLY 11 HA3 GLY 11 -2.533 -2.745 -25.616 87 H ARG 12 H ARG 12 -5.342 -2.305 -27.759 88 HA ARG 12 HA ARG 12 -4.549 -4.794 -29.125 89 HB2 ARG 12 HB2 ARG 12 -7.009 -4.889 -29.808 90 HB3 ARG 12 HB3 ARG 12 -6.630 -5.264 -28.132 91 HG2 ARG 12 HG2 ARG 12 -7.279 -2.990 -27.487 92 HG3 ARG 12 HG3 ARG 12 -7.691 -2.644 -29.168 93 HD2 ARG 12 HD2 ARG 12 -9.622 -3.266 -27.670 94 HD3 ARG 12 HD3 ARG 12 -9.465 -4.210 -29.151 95 HE ARG 12 HE ARG 12 -9.023 -6.075 -27.885 96 HH11 ARG 12 HH11 ARG 12 -8.848 -3.234 -25.881 97 HH12 ARG 12 HH12 ARG 12 -8.754 -4.126 -24.399 98 HH21 ARG 12 HH21 ARG 12 -8.900 -7.261 -25.940 99 HH22 ARG 12 HH22 ARG 12 -8.782 -6.417 -24.434 100 H SER 13 H SER 13 -3.364 -2.435 -29.867 101 HA SER 13 HA SER 13 -4.295 -2.188 -32.599 102 HB2 SER 13 HB2 SER 13 -5.264 -0.338 -30.844 103 HB3 SER 13 HB3 SER 13 -3.791 0.457 -31.397 104 HG SER 13 HG SER 13 -5.545 -0.706 -33.260 105 H SER 14 H SER 14 -2.779 -0.176 -33.530 106 HA SER 14 HA SER 14 -0.034 -0.868 -32.712 107 HB2 SER 14 HB2 SER 14 -1.259 -0.730 -35.445 108 HB3 SER 14 HB3 SER 14 0.453 -0.359 -35.242 109 HG SER 14 HG SER 14 -0.357 -2.674 -35.627 110 H LYS 15 H LYS 15 -1.637 1.357 -31.822 111 HA LYS 15 HA LYS 15 -0.955 3.729 -33.214 112 HB2 LYS 15 HB2 LYS 15 -1.894 4.900 -31.396 113 HB3 LYS 15 HB3 LYS 15 -2.818 3.408 -31.504 114 HG2 LYS 15 HG2 LYS 15 -0.477 3.657 -29.652 115 HG3 LYS 15 HG3 LYS 15 -2.086 4.216 -29.190 116 HD2 LYS 15 HD2 LYS 15 -2.419 2.116 -28.487 117 HD3 LYS 15 HD3 LYS 15 -2.593 1.716 -30.197 118 HE2 LYS 15 HE2 LYS 15 -0.571 0.700 -30.301 119 HE3 LYS 15 HE3 LYS 15 0.167 1.813 -29.150 120 HZ1 LYS 15 HZ1 LYS 15 -0.379 -0.702 -28.563 121 HZ2 LYS 15 HZ2 LYS 15 -1.849 -0.007 -28.098 122 HZ3 LYS 15 HZ3 LYS 15 -0.404 0.527 -27.401 123 H ILE 16 H ILE 16 0.650 5.240 -32.839 124 HA ILE 16 HA ILE 16 2.546 5.030 -30.734 125 HB ILE 16 HB ILE 16 4.428 4.722 -32.654 126 HG12 ILE 16 HG12 ILE 16 2.294 2.705 -33.361 127 HG13 ILE 16 HG13 ILE 16 2.571 4.174 -34.290 128 HG21 ILE 16 HG21 ILE 16 3.900 3.541 -30.365 129 HG22 ILE 16 HG22 ILE 16 3.343 2.242 -31.418 130 HG23 ILE 16 HG23 ILE 16 5.007 2.813 -31.528 131 HD11 ILE 16 HD11 ILE 16 5.056 2.838 -33.945 132 HD12 ILE 16 HD12 ILE 16 3.858 1.683 -34.531 133 HD13 ILE 16 HD13 ILE 16 4.166 3.167 -35.432 134 H ILE 17 H ILE 17 4.469 6.523 -31.162 135 HA ILE 17 HA ILE 17 3.541 8.829 -32.747 136 HB ILE 17 HB ILE 17 4.767 10.273 -31.187 137 HG12 ILE 17 HG12 ILE 17 6.288 8.215 -30.531 138 HG13 ILE 17 HG13 ILE 17 5.991 9.517 -29.385 139 HG21 ILE 17 HG21 ILE 17 2.450 9.992 -30.742 140 HG22 ILE 17 HG22 ILE 17 2.721 8.426 -29.979 141 HG23 ILE 17 HG23 ILE 17 3.287 9.900 -29.193 142 HD11 ILE 17 HD11 ILE 17 5.768 7.002 -28.686 143 HD12 ILE 17 HD12 ILE 17 4.666 8.225 -28.054 144 HD13 ILE 17 HD13 ILE 17 4.158 7.182 -29.382 145 H LEU 18 H LEU 18 5.324 10.291 -33.473 146 HA LEU 18 HA LEU 18 7.784 8.798 -34.086 147 HB2 LEU 18 HB2 LEU 18 6.380 8.756 -36.053 148 HB3 LEU 18 HB3 LEU 18 6.160 10.503 -35.969 149 HG LEU 18 HG LEU 18 7.813 9.466 -37.697 150 HD11 LEU 18 HD11 LEU 18 7.416 11.917 -36.937 151 HD12 LEU 18 HD12 LEU 18 8.870 11.511 -37.848 152 HD13 LEU 18 HD13 LEU 18 8.955 11.718 -36.099 153 HD21 LEU 18 HD21 LEU 18 9.831 9.829 -35.546 154 HD22 LEU 18 HD22 LEU 18 9.896 8.844 -37.008 155 HD23 LEU 18 HD23 LEU 18 8.957 8.298 -35.618 156 HA PRO 19 HA PRO 19 9.320 12.577 -32.184 157 HB2 PRO 19 HB2 PRO 19 11.854 11.655 -31.875 158 HB3 PRO 19 HB3 PRO 19 10.537 11.231 -30.775 159 HG2 PRO 19 HG2 PRO 19 11.684 9.662 -33.053 160 HG3 PRO 19 HG3 PRO 19 11.215 9.107 -31.435 161 HD2 PRO 19 HD2 PRO 19 9.643 8.749 -33.611 162 HD3 PRO 19 HD3 PRO 19 8.979 8.997 -31.983 163 H ALA 20 H ALA 20 10.657 14.254 -32.876 164 HA ALA 20 HA ALA 20 12.577 14.123 -34.897 165 HB1 ALA 20 HB1 ALA 20 11.321 13.833 -36.720 166 HB2 ALA 20 HB2 ALA 20 9.828 14.211 -35.859 167 HB3 ALA 20 HB3 ALA 20 10.833 15.513 -36.497 168 H CYS 21 H CYS 21 9.905 16.453 -34.702 169 HA CYS 21 HA CYS 21 11.536 18.313 -33.184 170 HB2 CYS 21 HB2 CYS 21 11.144 20.125 -34.912 171 HB3 CYS 21 HB3 CYS 21 12.319 18.891 -35.355 172 H MET 22 H MET 22 8.867 16.825 -33.169 173 HA MET 22 HA MET 22 7.386 18.840 -31.831 174 HB2 MET 22 HB2 MET 22 7.061 19.017 -34.527 175 HB3 MET 22 HB3 MET 22 5.760 17.910 -34.108 176 HG2 MET 22 HG2 MET 22 5.526 19.882 -32.211 177 HG3 MET 22 HG3 MET 22 6.000 20.769 -33.658 178 HE1 MET 22 HE1 MET 22 3.452 19.920 -31.569 179 HE2 MET 22 HE2 MET 22 2.862 21.335 -32.441 180 HE3 MET 22 HE3 MET 22 1.951 19.825 -32.491 181 H HIS 23 H HIS 23 4.842 17.836 -31.941 182 HA HIS 23 HA HIS 23 5.214 15.089 -30.943 183 HB2 HIS 23 HB2 HIS 23 3.317 17.272 -30.091 184 HB3 HIS 23 HB3 HIS 23 3.080 15.589 -29.631 185 HD1 HIS 23 HD1 HIS 23 4.761 14.576 -27.932 186 HD2 HIS 23 HD2 HIS 23 5.363 18.606 -28.745 187 HE1 HIS 23 HE1 HIS 23 6.336 15.394 -26.150 188 H GLU 24 H GLU 24 4.514 13.642 -32.367 189 HA GLU 24 HA GLU 24 1.934 14.131 -33.694 190 HB2 GLU 24 HB2 GLU 24 2.874 12.874 -35.676 191 HB3 GLU 24 HB3 GLU 24 3.527 14.486 -35.417 192 HG2 GLU 24 HG2 GLU 24 5.159 12.671 -33.992 193 HG3 GLU 24 HG3 GLU 24 4.904 12.010 -35.606 194 H THR 25 H THR 25 0.947 12.085 -34.534 195 HA THR 25 HA THR 25 1.792 9.611 -33.317 196 HB THR 25 HB THR 25 -0.955 10.546 -32.538 197 HG1 THR 25 HG1 THR 25 -0.123 11.378 -30.655 198 HG21 THR 25 HG21 THR 25 -0.610 8.199 -32.290 199 HG22 THR 25 HG22 THR 25 -0.518 8.905 -30.677 200 HG23 THR 25 HG23 THR 25 0.959 8.448 -31.525 201 H CYS 26 H CYS 26 0.375 7.793 -33.921 202 HA CYS 26 HA CYS 26 -1.579 8.234 -35.999 203 HB2 CYS 26 HB2 CYS 26 0.803 8.251 -37.047 204 HB3 CYS 26 HB3 CYS 26 0.763 6.515 -36.760 205 H SER 27 H SER 27 -2.925 6.481 -36.316 206 HA SER 27 HA SER 27 -2.336 3.864 -35.361 207 HB2 SER 27 HB2 SER 27 -3.629 3.730 -33.415 208 HB3 SER 27 HB3 SER 27 -2.833 5.295 -33.248 209 HG SER 27 HG SER 27 -5.482 4.709 -33.503 210 H GLY 28 H GLY 28 -3.398 2.567 -36.697 211 HA2 GLY 28 HA2 GLY 28 -6.141 3.273 -37.484 212 HA3 GLY 28 HA3 GLY 28 -4.956 2.933 -38.737 213 H GLY 29 H GLY 29 -6.803 1.569 -36.080 214 HA2 GLY 29 HA2 GLY 29 -7.111 -0.921 -37.390 215 HA3 GLY 29 HA3 GLY 29 -5.875 -1.057 -36.148 216 H PHE 30 H PHE 30 -7.113 0.842 -34.348 217 HA PHE 30 HA PHE 30 -9.726 -0.239 -33.728 218 HB2 PHE 30 HB2 PHE 30 -8.252 -1.914 -32.721 219 HB3 PHE 30 HB3 PHE 30 -7.389 -0.649 -31.850 220 HD1 PHE 30 HD1 PHE 30 -8.435 0.501 -29.969 221 HD2 PHE 30 HD2 PHE 30 -10.393 -2.694 -31.989 222 HE1 PHE 30 HE1 PHE 30 -10.008 0.281 -28.090 223 HE2 PHE 30 HE2 PHE 30 -11.969 -2.918 -30.114 224 HZ PHE 30 HZ PHE 30 -11.779 -1.429 -28.161 225 H SER 31 H SER 31 -7.008 1.776 -32.699 226 HA SER 31 HA SER 31 -8.655 3.438 -31.022 227 HB2 SER 31 HB2 SER 31 -5.789 3.250 -31.711 228 HB3 SER 31 HB3 SER 31 -6.369 4.875 -31.345 229 HG SER 31 HG SER 31 -6.953 4.222 -29.335 230 H LEU 32 H LEU 32 -7.246 3.640 -34.247 231 HA LEU 32 HA LEU 32 -7.514 5.123 -35.955 232 HB2 LEU 32 HB2 LEU 32 -9.731 4.220 -35.978 233 HB3 LEU 32 HB3 LEU 32 -10.224 5.269 -34.651 234 HG LEU 32 HG LEU 32 -9.350 6.961 -36.729 235 HD11 LEU 32 HD11 LEU 32 -11.368 4.986 -37.763 236 HD12 LEU 32 HD12 LEU 32 -9.652 4.906 -38.158 237 HD13 LEU 32 HD13 LEU 32 -10.599 6.316 -38.629 238 HD21 LEU 32 HD21 LEU 32 -11.015 7.795 -35.392 239 HD22 LEU 32 HD22 LEU 32 -11.917 6.280 -35.377 240 HD23 LEU 32 HD23 LEU 32 -11.951 7.313 -36.807 241 H LYS 33 H LYS 33 -5.988 6.652 -35.280 242 HA LYS 33 HA LYS 33 -6.939 9.278 -34.971 243 HB2 LYS 33 HB2 LYS 33 -6.065 9.763 -32.701 244 HB3 LYS 33 HB3 LYS 33 -7.437 8.662 -32.688 245 HG2 LYS 33 HG2 LYS 33 -6.180 6.878 -32.007 246 HG3 LYS 33 HG3 LYS 33 -4.694 7.514 -32.716 247 HD2 LYS 33 HD2 LYS 33 -5.787 9.200 -30.596 248 HD3 LYS 33 HD3 LYS 33 -5.355 7.578 -30.051 249 HE2 LYS 33 HE2 LYS 33 -3.127 7.910 -31.164 250 HE3 LYS 33 HE3 LYS 33 -3.584 9.594 -31.421 251 HZ1 LYS 33 HZ1 LYS 33 -3.919 8.682 -28.707 252 HZ2 LYS 33 HZ2 LYS 33 -3.204 10.098 -29.292 253 HZ3 LYS 33 HZ3 LYS 33 -2.314 8.660 -29.240 254 H ASN 34 H ASN 34 -5.147 10.855 -34.664 255 HA ASN 34 HA ASN 34 -2.439 10.016 -34.767 256 HB2 ASN 34 HB2 ASN 34 -1.961 10.707 -37.105 257 HB3 ASN 34 HB3 ASN 34 -2.997 9.286 -37.012 258 HD21 ASN 34 HD21 ASN 34 -4.946 9.333 -37.950 259 HD22 ASN 34 HD22 ASN 34 -5.631 10.716 -38.728 260 H ASP 35 H ASP 35 -1.099 11.689 -34.323 261 HA ASP 35 HA ASP 35 -2.345 14.324 -34.041 262 HB2 ASP 35 HB2 ASP 35 -0.269 12.839 -32.598 263 HB3 ASP 35 HB3 ASP 35 0.148 14.525 -32.894 264 H CYS 36 H CYS 36 -1.715 16.067 -35.178 265 HA CYS 36 HA CYS 36 -0.472 15.916 -37.603 266 HB2 CYS 36 HB2 CYS 36 -1.352 18.010 -35.859 267 HB3 CYS 36 HB3 CYS 36 0.203 18.463 -36.551 268 H TRP 37 H TRP 37 1.610 16.832 -38.332 269 HA TRP 37 HA TRP 37 3.763 16.063 -36.478 270 HB2 TRP 37 HB2 TRP 37 5.130 15.630 -38.464 271 HB3 TRP 37 HB3 TRP 37 3.634 14.701 -38.520 272 HD1 TRP 37 HD1 TRP 37 1.650 15.816 -40.158 273 HE1 TRP 37 HE1 TRP 37 1.938 16.989 -42.431 274 HE3 TRP 37 HE3 TRP 37 6.614 16.995 -39.840 275 HZ2 TRP 37 HZ2 TRP 37 3.997 18.247 -43.895 276 HZ3 TRP 37 HZ3 TRP 37 7.667 18.183 -41.720 277 HH2 TRP 37 HH2 TRP 37 6.384 18.795 -43.705 278 H CYS 38 H CYS 38 5.941 17.186 -37.468 279 HA CYS 38 HA CYS 38 5.946 19.785 -36.563 280 HB2 CYS 38 HB2 CYS 38 7.835 18.038 -37.590 281 HB3 CYS 38 HB3 CYS 38 7.864 19.382 -38.727 282 H CYS 39 H CYS 39 4.526 21.264 -37.280 283 HA CYS 39 HA CYS 39 3.917 21.524 -40.096 284 HB2 CYS 39 HB2 CYS 39 2.203 21.819 -38.284 285 HB3 CYS 39 HB3 CYS 39 3.033 23.299 -37.815 286 H LEU 40 H LEU 40 6.391 22.559 -38.170 287 HA LEU 40 HA LEU 40 6.977 24.786 -39.993 288 HB2 LEU 40 HB2 LEU 40 8.054 25.176 -37.321 289 HB3 LEU 40 HB3 LEU 40 7.198 26.302 -38.372 290 HG LEU 40 HG LEU 40 5.082 24.991 -37.592 291 HD11 LEU 40 HD11 LEU 40 6.887 23.464 -36.286 292 HD12 LEU 40 HD12 LEU 40 5.207 23.658 -35.787 293 HD13 LEU 40 HD13 LEU 40 6.470 24.626 -35.027 294 HD21 LEU 40 HD21 LEU 40 6.538 26.853 -35.718 295 HD22 LEU 40 HD22 LEU 40 4.801 26.550 -35.760 296 HD23 LEU 40 HD23 LEU 40 5.589 27.354 -37.118 297 H ARG 41 H ARG 41 8.561 23.845 -41.161 298 HA ARG 41 HA ARG 41 10.546 22.141 -39.992 299 HB2 ARG 41 HB2 ARG 41 11.578 22.223 -42.262 300 HB3 ARG 41 HB3 ARG 41 9.889 21.734 -42.269 301 HG2 ARG 41 HG2 ARG 41 10.323 24.613 -42.600 302 HG3 ARG 41 HG3 ARG 41 10.969 23.609 -43.900 303 HD2 ARG 41 HD2 ARG 41 8.266 22.894 -42.996 304 HD3 ARG 41 HD3 ARG 41 8.403 24.481 -43.751 305 HE ARG 41 HE ARG 41 8.543 21.951 -45.053 306 HH11 ARG 41 HH11 ARG 41 9.747 25.216 -45.154 307 HH12 ARG 41 HH12 ARG 41 10.051 25.190 -46.859 308 HH21 ARG 41 HH21 ARG 41 8.939 21.904 -47.299 309 HH22 ARG 41 HH22 ARG 41 9.590 23.306 -48.078 310 H LEU 42 H LEU 42 11.021 23.952 -38.362 311 HA LEU 42 HA LEU 42 12.487 26.229 -39.128 312 HB2 LEU 42 HB2 LEU 42 13.061 26.461 -36.826 313 HB3 LEU 42 HB3 LEU 42 11.396 25.890 -36.926 314 HG LEU 42 HG LEU 42 13.564 23.885 -36.533 315 HD11 LEU 42 HD11 LEU 42 13.587 26.049 -34.912 316 HD12 LEU 42 HD12 LEU 42 14.056 24.425 -34.408 317 HD13 LEU 42 HD13 LEU 42 12.430 25.018 -34.070 318 HD21 LEU 42 HD21 LEU 42 11.691 22.988 -35.021 319 HD22 LEU 42 HD22 LEU 42 11.453 22.923 -36.768 320 HD23 LEU 42 HD23 LEU 42 10.668 24.184 -35.816 321 H LYS 43 H LYS 43 14.800 26.609 -38.458 322 HA LYS 43 HA LYS 43 16.505 24.251 -38.712 323 HB2 LYS 43 HB2 LYS 43 17.741 25.059 -40.555 324 HB3 LYS 43 HB3 LYS 43 16.053 25.260 -41.005 325 HG2 LYS 43 HG2 LYS 43 16.620 27.340 -41.554 326 HG3 LYS 43 HG3 LYS 43 16.643 27.660 -39.818 327 HD2 LYS 43 HD2 LYS 43 18.776 28.258 -40.092 328 HD3 LYS 43 HD3 LYS 43 19.123 26.540 -40.307 329 HE2 LYS 43 HE2 LYS 43 18.551 26.921 -42.770 330 HE3 LYS 43 HE3 LYS 43 18.673 28.642 -42.407 331 HZ1 LYS 43 HZ1 LYS 43 20.755 27.769 -43.260 332 HZ2 LYS 43 HZ2 LYS 43 20.825 26.635 -42.007 333 HZ3 LYS 43 HZ3 LYS 43 20.943 28.286 -41.660 334 H THR 44 H THR 44 15.749 26.625 -36.836 335 HA THR 44 HA THR 44 18.177 26.747 -35.450 336 HB THR 44 HB THR 44 19.005 28.136 -37.256 337 HG1 THR 44 HG1 THR 44 19.713 29.789 -35.971 338 HG21 THR 44 HG21 THR 44 17.089 30.332 -36.726 339 HG22 THR 44 HG22 THR 44 16.487 28.962 -37.658 340 HG23 THR 44 HG23 THR 44 17.891 29.865 -38.225 341 H LYS 45 H LYS 45 15.221 28.518 -36.251 342 HA LYS 45 HA LYS 45 14.199 28.380 -33.633 343 HB2 LYS 45 HB2 LYS 45 14.413 30.627 -32.856 344 HB3 LYS 45 HB3 LYS 45 16.026 30.071 -33.284 345 HG2 LYS 45 HG2 LYS 45 16.110 32.090 -34.286 346 HG3 LYS 45 HG3 LYS 45 15.347 31.198 -35.605 347 HD2 LYS 45 HD2 LYS 45 13.492 32.424 -35.456 348 HD3 LYS 45 HD3 LYS 45 13.380 32.151 -33.716 349 HE2 LYS 45 HE2 LYS 45 15.322 33.912 -33.633 350 HE3 LYS 45 HE3 LYS 45 14.696 34.371 -35.216 351 HZ1 LYS 45 HZ1 LYS 45 12.671 35.005 -34.320 352 HZ2 LYS 45 HZ2 LYS 45 13.773 35.544 -33.156 353 HZ3 LYS 45 HZ3 LYS 45 12.893 34.123 -32.894 354 H GLN 46 H GLN 46 14.239 30.007 -36.740 355 HA GLN 46 HA GLN 46 11.734 31.221 -36.684 356 HB2 GLN 46 HB2 GLN 46 11.809 31.023 -39.175 357 HB3 GLN 46 HB3 GLN 46 13.261 31.716 -38.464 358 HG2 GLN 46 HG2 GLN 46 14.512 29.779 -38.844 359 HG3 GLN 46 HG3 GLN 46 13.073 28.799 -39.118 360 HE21 GLN 46 HE21 GLN 46 14.196 31.900 -40.425 361 HE22 GLN 46 HE22 GLN 46 14.094 31.433 -42.085 362 H ALA 47 H ALA 47 10.101 30.337 -38.589 363 HA ALA 47 HA ALA 47 9.585 27.569 -38.647 364 HB1 ALA 47 HB1 ALA 47 8.783 28.835 -36.241 365 HB2 ALA 47 HB2 ALA 47 7.328 28.416 -37.146 366 HB3 ALA 47 HB3 ALA 47 8.510 27.169 -36.750 367 H ARG 48 H ARG 48 8.460 27.269 -40.449 368 HA ARG 48 HA ARG 48 6.565 29.365 -41.288 369 HB2 ARG 48 HB2 ARG 48 8.545 29.379 -42.717 370 HB3 ARG 48 HB3 ARG 48 8.351 27.660 -43.032 371 HG2 ARG 48 HG2 ARG 48 7.496 28.697 -44.932 372 HG3 ARG 48 HG3 ARG 48 6.064 28.276 -43.990 373 HD2 ARG 48 HD2 ARG 48 5.510 30.427 -43.645 374 HD3 ARG 48 HD3 ARG 48 7.183 30.918 -43.388 375 HE ARG 48 HE ARG 48 5.708 30.998 -45.861 376 HH11 ARG 48 HH11 ARG 48 8.861 30.929 -44.386 377 HH12 ARG 48 HH12 ARG 48 9.656 31.650 -45.745 378 HH21 ARG 48 HH21 ARG 48 6.743 31.949 -47.657 379 HH22 ARG 48 HH22 ARG 48 8.451 32.231 -47.605 380 H CYS 49 H CYS 49 4.534 28.694 -41.387 381 HA CYS 49 HA CYS 49 3.999 25.879 -42.057 382 HB2 CYS 49 HB2 CYS 49 3.746 26.436 -39.577 383 HB3 CYS 49 HB3 CYS 49 2.370 27.429 -40.046 384 H TRP 50 H TRP 50 1.864 25.489 -42.951 385 HA TRP 50 HA TRP 50 0.813 27.860 -44.350 386 HB2 TRP 50 HB2 TRP 50 -0.041 26.050 -46.005 387 HB3 TRP 50 HB3 TRP 50 1.661 26.500 -46.045 388 HD1 TRP 50 HD1 TRP 50 -0.598 23.554 -45.590 389 HE1 TRP 50 HE1 TRP 50 0.798 21.449 -45.097 390 HE3 TRP 50 HE3 TRP 50 3.932 25.765 -44.738 391 HZ2 TRP 50 HZ2 TRP 50 3.467 20.810 -44.434 392 HZ3 TRP 50 HZ3 TRP 50 5.856 24.336 -44.180 393 HH2 TRP 50 HH2 TRP 50 5.626 21.910 -44.031 394 H LYS 51 H LYS 51 -1.335 28.285 -44.285 395 HA LYS 51 HA LYS 51 -2.893 27.054 -42.242 396 HB2 LYS 51 HB2 LYS 51 -3.938 28.878 -44.403 397 HB3 LYS 51 HB3 LYS 51 -4.582 28.641 -42.784 398 HG2 LYS 51 HG2 LYS 51 -3.468 30.478 -42.223 399 HG3 LYS 51 HG3 LYS 51 -2.005 29.495 -42.319 400 HD2 LYS 51 HD2 LYS 51 -1.430 30.314 -44.395 401 HD3 LYS 51 HD3 LYS 51 -3.095 30.730 -44.808 402 HE2 LYS 51 HE2 LYS 51 -2.972 32.757 -43.815 403 HE3 LYS 51 HE3 LYS 51 -1.942 32.172 -42.509 404 HZ1 LYS 51 HZ1 LYS 51 -0.962 32.579 -45.276 405 HZ2 LYS 51 HZ2 LYS 51 -0.042 32.322 -43.880 406 HZ3 LYS 51 HZ3 LYS 51 -0.879 33.778 -44.085 407 H GLU 52 H GLU 52 -4.074 25.271 -42.374 408 HA GLU 52 HA GLU 52 -4.335 23.745 -44.711 409 HB2 GLU 52 HB2 GLU 52 -4.473 22.828 -42.413 410 HB3 GLU 52 HB3 GLU 52 -6.033 23.612 -42.213 411 HG2 GLU 52 HG2 GLU 52 -6.137 22.074 -44.588 412 HG3 GLU 52 HG3 GLU 52 -5.449 21.067 -43.316 413 H LYS 53 H LYS 53 -6.072 26.464 -43.649 414 HA LYS 53 HA LYS 53 -8.565 25.872 -44.928 415 HB2 LYS 53 HB2 LYS 53 -9.104 28.227 -44.485 416 HB3 LYS 53 HB3 LYS 53 -8.463 27.432 -43.053 417 HG2 LYS 53 HG2 LYS 53 -6.194 28.449 -44.104 418 HG3 LYS 53 HG3 LYS 53 -7.371 29.653 -44.635 419 HD2 LYS 53 HD2 LYS 53 -8.187 29.584 -42.178 420 HD3 LYS 53 HD3 LYS 53 -6.621 28.838 -41.850 421 HE2 LYS 53 HE2 LYS 53 -5.752 30.882 -41.752 422 HE3 LYS 53 HE3 LYS 53 -6.065 31.036 -43.480 423 HZ1 LYS 53 HZ1 LYS 53 -7.200 32.828 -42.694 424 HZ2 LYS 53 HZ2 LYS 53 -7.581 32.103 -41.214 425 HZ3 LYS 53 HZ3 LYS 53 -8.437 31.677 -42.609 426 H GLU 54 H GLU 54 -5.638 27.630 -45.802 427 HA GLU 54 HA GLU 54 -6.772 28.171 -48.457 428 HB2 GLU 54 HB2 GLU 54 -4.380 29.341 -47.033 429 HB3 GLU 54 HB3 GLU 54 -4.783 29.690 -48.708 430 HG2 GLU 54 HG2 GLU 54 -7.074 30.110 -47.033 431 HG3 GLU 54 HG3 GLU 54 -5.689 31.010 -46.418 432 H PHE 55 H PHE 55 -4.784 26.011 -46.855 433 HA PHE 55 HA PHE 55 -3.546 25.186 -49.395 434 HB2 PHE 55 HB2 PHE 55 -2.287 25.729 -46.786 435 HB3 PHE 55 HB3 PHE 55 -1.796 24.217 -47.542 436 HD1 PHE 55 HD1 PHE 55 -2.231 27.830 -48.339 437 HD2 PHE 55 HD2 PHE 55 -0.068 24.236 -49.063 438 HE1 PHE 55 HE1 PHE 55 -0.667 29.065 -49.782 439 HE2 PHE 55 HE2 PHE 55 1.500 25.466 -50.506 440 HZ PHE 55 HZ PHE 55 1.202 27.884 -50.867 441 HA PRO 56 HA PRO 56 -5.915 21.540 -48.297 442 HB2 PRO 56 HB2 PRO 56 -5.490 20.264 -50.655 443 HB3 PRO 56 HB3 PRO 56 -6.684 21.552 -50.462 444 HG2 PRO 56 HG2 PRO 56 -3.912 21.691 -51.584 445 HG3 PRO 56 HG3 PRO 56 -5.402 22.443 -52.185 446 HD2 PRO 56 HD2 PRO 56 -3.552 23.812 -50.757 447 HD3 PRO 56 HD3 PRO 56 -5.288 24.176 -50.670 448 H ASN 57 H ASN 57 -2.599 21.743 -49.364 449 HA ASN 57 HA ASN 57 -1.884 19.034 -49.054 450 HB2 ASN 57 HB2 ASN 57 -0.547 21.533 -49.596 451 HB3 ASN 57 HB3 ASN 57 0.381 20.587 -48.437 452 HD21 ASN 57 HD21 ASN 57 0.324 18.124 -49.104 453 HD22 ASN 57 HD22 ASN 57 0.797 17.836 -50.741 454 H ALA 58 H ALA 58 -2.356 21.609 -46.785 455 HA ALA 58 HA ALA 58 -0.838 20.653 -44.627 456 HB1 ALA 58 HB1 ALA 58 -3.213 21.911 -43.668 457 HB2 ALA 58 HB2 ALA 58 -1.566 22.540 -43.719 458 HB3 ALA 58 HB3 ALA 58 -2.641 22.770 -45.098 459 H LYS 59 H LYS 59 -4.275 20.157 -45.414 460 HA LYS 59 HA LYS 59 -4.760 18.405 -43.229 461 HB2 LYS 59 HB2 LYS 59 -6.863 17.860 -44.463 462 HB3 LYS 59 HB3 LYS 59 -6.610 19.581 -44.208 463 HG2 LYS 59 HG2 LYS 59 -6.240 19.999 -46.429 464 HG3 LYS 59 HG3 LYS 59 -5.681 18.357 -46.757 465 HD2 LYS 59 HD2 LYS 59 -8.478 18.583 -45.867 466 HD3 LYS 59 HD3 LYS 59 -8.126 19.302 -47.440 467 HE2 LYS 59 HE2 LYS 59 -7.973 17.300 -48.403 468 HE3 LYS 59 HE3 LYS 59 -6.862 16.720 -47.163 469 HZ1 LYS 59 HZ1 LYS 59 -9.328 16.805 -45.953 470 HZ2 LYS 59 HZ2 LYS 59 -8.503 15.422 -46.472 471 HZ3 LYS 59 HZ3 LYS 59 -9.630 16.168 -47.491 472 H GLU 60 H GLU 60 -3.830 17.930 -46.590 473 HA GLU 60 HA GLU 60 -4.209 15.145 -46.708 474 HB2 GLU 60 HB2 GLU 60 -3.635 16.937 -48.565 475 HB3 GLU 60 HB3 GLU 60 -1.985 16.437 -48.225 476 HG2 GLU 60 HG2 GLU 60 -3.645 14.128 -48.531 477 HG3 GLU 60 HG3 GLU 60 -3.852 15.203 -49.913 478 H LEU 61 H LEU 61 -1.356 17.086 -45.878 479 HA LEU 61 HA LEU 61 0.328 14.836 -45.414 480 HB2 LEU 61 HB2 LEU 61 0.614 17.665 -44.415 481 HB3 LEU 61 HB3 LEU 61 1.882 16.441 -44.452 482 HG LEU 61 HG LEU 61 0.579 17.224 -47.015 483 HD11 LEU 61 HD11 LEU 61 2.763 18.839 -45.711 484 HD12 LEU 61 HD12 LEU 61 1.080 19.347 -45.840 485 HD13 LEU 61 HD13 LEU 61 2.043 19.108 -47.298 486 HD21 LEU 61 HD21 LEU 61 3.303 16.296 -46.141 487 HD22 LEU 61 HD22 LEU 61 2.971 16.895 -47.766 488 HD23 LEU 61 HD23 LEU 61 2.141 15.458 -47.168 489 H CYS 62 H CYS 62 -1.440 17.050 -43.269 490 HA CYS 62 HA CYS 62 -0.635 16.001 -40.827 491 HB2 CYS 62 HB2 CYS 62 -2.088 18.080 -41.356 492 HB3 CYS 62 HB3 CYS 62 -3.447 16.963 -41.289 493 H PHE 63 H PHE 63 -3.240 14.969 -42.979 494 HA PHE 63 HA PHE 63 -4.234 12.966 -41.199 495 HB2 PHE 63 HB2 PHE 63 -4.769 13.805 -44.000 496 HB3 PHE 63 HB3 PHE 63 -5.222 12.163 -43.554 497 HD1 PHE 63 HD1 PHE 63 -5.511 15.625 -42.187 498 HD2 PHE 63 HD2 PHE 63 -7.358 11.839 -42.798 499 HE1 PHE 63 HE1 PHE 63 -7.586 16.478 -41.177 500 HE2 PHE 63 HE2 PHE 63 -9.436 12.686 -41.789 501 HZ PHE 63 HZ PHE 63 -9.552 15.008 -40.978 502 H ALA 64 H ALA 64 -2.086 12.965 -44.009 503 HA ALA 64 HA ALA 64 -1.741 10.137 -44.071 504 HB1 ALA 64 HB1 ALA 64 -1.380 11.542 -46.044 505 HB2 ALA 64 HB2 ALA 64 0.002 12.297 -45.250 506 HB3 ALA 64 HB3 ALA 64 0.049 10.582 -45.658 507 H ASN 65 H ASN 65 -0.579 12.534 -42.004 508 HA ASN 65 HA ASN 65 2.015 11.896 -41.417 509 HB2 ASN 65 HB2 ASN 65 1.736 13.080 -39.477 510 HB3 ASN 65 HB3 ASN 65 0.258 13.566 -40.303 511 HD21 ASN 65 HD21 ASN 65 1.600 12.030 -37.596 512 HD22 ASN 65 HD22 ASN 65 0.125 11.513 -36.858 513 H CYS 66 H CYS 66 3.093 10.276 -40.438 514 HA CYS 66 HA CYS 66 1.938 8.408 -38.658 515 HB2 CYS 66 HB2 CYS 66 1.748 7.804 -41.506 516 HB3 CYS 66 HB3 CYS 66 2.605 6.555 -40.609 517 HA PRO 67 HA PRO 67 6.156 7.621 -37.749 518 HB2 PRO 67 HB2 PRO 67 6.113 5.025 -36.956 519 HB3 PRO 67 HB3 PRO 67 5.440 6.338 -35.983 520 HG2 PRO 67 HG2 PRO 67 4.035 4.405 -37.786 521 HG3 PRO 67 HG3 PRO 67 3.567 4.974 -36.173 522 HD2 PRO 67 HD2 PRO 67 2.472 5.965 -38.442 523 HD3 PRO 67 HD3 PRO 67 2.702 6.950 -36.983 524 HA PRO 68 HA PRO 68 8.346 5.713 -41.051 525 HB2 PRO 68 HB2 PRO 68 10.499 4.625 -39.805 526 HB3 PRO 68 HB3 PRO 68 10.296 6.367 -40.026 527 HG2 PRO 68 HG2 PRO 68 9.744 4.688 -37.610 528 HG3 PRO 68 HG3 PRO 68 10.525 6.276 -37.714 529 HD2 PRO 68 HD2 PRO 68 7.936 5.971 -36.981 530 HD3 PRO 68 HD3 PRO 68 8.515 7.394 -37.870 531 H LEU 69 H LEU 69 8.887 3.732 -42.066 532 HA LEU 69 HA LEU 69 7.773 1.356 -40.726 533 HB2 LEU 69 HB2 LEU 69 7.534 0.568 -43.190 534 HB3 LEU 69 HB3 LEU 69 6.345 1.667 -42.494 535 HG LEU 69 HG LEU 69 7.453 3.552 -43.622 536 HD11 LEU 69 HD11 LEU 69 9.153 3.113 -45.324 537 HD12 LEU 69 HD12 LEU 69 9.189 1.415 -44.852 538 HD13 LEU 69 HD13 LEU 69 9.714 2.657 -43.716 539 HD21 LEU 69 HD21 LEU 69 7.081 1.800 -45.917 540 HD22 LEU 69 HD22 LEU 69 6.170 3.225 -45.419 541 HD23 LEU 69 HD23 LEU 69 5.796 1.650 -44.718 542 H GLU 70 H GLU 70 10.552 2.402 -40.702 543 HA GLU 70 HA GLU 70 12.091 0.608 -42.344 544 HB2 GLU 70 HB2 GLU 70 12.915 2.418 -40.067 545 HB3 GLU 70 HB3 GLU 70 14.030 1.527 -41.094 546 HG2 GLU 70 HG2 GLU 70 12.858 2.774 -43.034 547 HG3 GLU 70 HG3 GLU 70 12.306 3.870 -41.768 Start of MODEL 20 1 H1 GLY 1 H GLY 1 0.109 5.813 2.238 2 HA2 GLY 1 HA2 GLY 1 0.520 4.565 -0.021 3 HA3 GLY 1 HA3 GLY 1 1.133 6.203 0.149 4 HA PRO 2 HA PRO 2 4.867 3.214 0.944 5 HB2 PRO 2 HB2 PRO 2 4.476 0.617 0.259 6 HB3 PRO 2 HB3 PRO 2 4.154 1.241 1.881 7 HG2 PRO 2 HG2 PRO 2 2.241 0.716 -0.361 8 HG3 PRO 2 HG3 PRO 2 2.067 0.355 1.366 9 HD2 PRO 2 HD2 PRO 2 0.900 2.503 0.202 10 HD3 PRO 2 HD3 PRO 2 1.462 2.517 1.886 11 H GLU 3 H GLU 3 6.201 1.660 -0.624 12 HA GLU 3 HA GLU 3 6.432 2.996 -3.070 13 HB2 GLU 3 HB2 GLU 3 7.607 0.560 -1.859 14 HB3 GLU 3 HB3 GLU 3 7.693 0.677 -3.611 15 HG2 GLU 3 HG2 GLU 3 8.530 3.029 -2.006 16 HG3 GLU 3 HG3 GLU 3 9.595 1.626 -2.060 17 H LYS 4 H LYS 4 4.762 3.044 -4.456 18 HA LYS 4 HA LYS 4 3.962 0.534 -5.692 19 HB2 LYS 4 HB2 LYS 4 1.575 1.003 -5.497 20 HB3 LYS 4 HB3 LYS 4 2.308 0.864 -3.904 21 HG2 LYS 4 HG2 LYS 4 2.514 3.511 -4.252 22 HG3 LYS 4 HG3 LYS 4 1.082 3.193 -5.234 23 HD2 LYS 4 HD2 LYS 4 0.858 1.739 -2.792 24 HD3 LYS 4 HD3 LYS 4 1.271 3.413 -2.416 25 HE2 LYS 4 HE2 LYS 4 -1.030 2.461 -4.119 26 HE3 LYS 4 HE3 LYS 4 -1.136 3.146 -2.498 27 HZ1 LYS 4 HZ1 LYS 4 0.276 4.945 -4.098 28 HZ2 LYS 4 HZ2 LYS 4 -1.253 5.146 -3.403 29 HZ3 LYS 4 HZ3 LYS 4 -1.110 4.492 -4.957 30 H MET 5 H MET 5 2.762 0.868 -7.714 31 HA MET 5 HA MET 5 2.527 3.457 -8.864 32 HB2 MET 5 HB2 MET 5 4.253 3.017 -10.686 33 HB3 MET 5 HB3 MET 5 4.874 3.479 -9.107 34 HG2 MET 5 HG2 MET 5 6.037 1.605 -8.930 35 HG3 MET 5 HG3 MET 5 4.629 0.619 -9.317 36 HE1 MET 5 HE1 MET 5 4.313 -0.527 -11.914 37 HE2 MET 5 HE2 MET 5 5.953 -1.104 -12.210 38 HE3 MET 5 HE3 MET 5 5.296 -1.115 -10.573 39 H GLU 6 H GLU 6 1.225 3.416 -10.635 40 HA GLU 6 HA GLU 6 0.927 1.132 -12.314 41 HB2 GLU 6 HB2 GLU 6 -0.356 0.636 -10.087 42 HB3 GLU 6 HB3 GLU 6 -1.554 1.739 -10.748 43 HG2 GLU 6 HG2 GLU 6 -2.045 0.335 -12.535 44 HG3 GLU 6 HG3 GLU 6 -0.549 -0.578 -12.351 45 H VAL 7 H VAL 7 0.123 1.735 -14.240 46 HA VAL 7 HA VAL 7 -1.632 4.039 -14.464 47 HB VAL 7 HB VAL 7 0.662 4.996 -14.525 48 HG11 VAL 7 HG11 VAL 7 1.784 3.060 -15.543 49 HG12 VAL 7 HG12 VAL 7 0.950 3.390 -17.063 50 HG13 VAL 7 HG13 VAL 7 2.110 4.554 -16.422 51 HG21 VAL 7 HG21 VAL 7 0.203 6.486 -16.250 52 HG22 VAL 7 HG22 VAL 7 -0.532 5.243 -17.263 53 HG23 VAL 7 HG23 VAL 7 -1.390 5.846 -15.845 54 H LYS 8 H LYS 8 -3.007 3.868 -16.146 55 HA LYS 8 HA LYS 8 -2.406 2.379 -18.512 56 HB2 LYS 8 HB2 LYS 8 -4.196 0.684 -18.222 57 HB3 LYS 8 HB3 LYS 8 -2.866 0.482 -17.089 58 HG2 LYS 8 HG2 LYS 8 -4.972 2.166 -16.021 59 HG3 LYS 8 HG3 LYS 8 -5.551 0.560 -16.471 60 HD2 LYS 8 HD2 LYS 8 -4.088 -0.509 -14.998 61 HD3 LYS 8 HD3 LYS 8 -3.043 0.907 -14.863 62 HE2 LYS 8 HE2 LYS 8 -4.128 1.413 -12.988 63 HE3 LYS 8 HE3 LYS 8 -5.536 1.778 -13.985 64 HZ1 LYS 8 HZ1 LYS 8 -5.421 -0.113 -12.044 65 HZ2 LYS 8 HZ2 LYS 8 -5.229 -1.025 -13.456 66 HZ3 LYS 8 HZ3 LYS 8 -6.586 -0.034 -13.268 67 H GLU 9 H GLU 9 -3.940 2.684 -20.154 68 HA GLU 9 HA GLU 9 -6.326 4.242 -19.534 69 HB2 GLU 9 HB2 GLU 9 -5.698 5.802 -21.479 70 HB3 GLU 9 HB3 GLU 9 -4.904 6.056 -19.932 71 HG2 GLU 9 HG2 GLU 9 -2.891 5.114 -20.685 72 HG3 GLU 9 HG3 GLU 9 -3.661 4.406 -22.105 73 H ILE 10 H ILE 10 -7.322 4.823 -21.904 74 HA ILE 10 HA ILE 10 -7.925 2.236 -23.022 75 HB ILE 10 HB ILE 10 -8.901 4.828 -24.173 76 HG12 ILE 10 HG12 ILE 10 -9.259 5.128 -21.819 77 HG13 ILE 10 HG13 ILE 10 -10.802 4.673 -22.534 78 HG21 ILE 10 HG21 ILE 10 -10.020 3.379 -25.437 79 HG22 ILE 10 HG22 ILE 10 -9.531 2.019 -24.427 80 HG23 ILE 10 HG23 ILE 10 -10.954 2.968 -23.998 81 HD11 ILE 10 HD11 ILE 10 -10.840 3.303 -20.742 82 HD12 ILE 10 HD12 ILE 10 -9.943 2.253 -21.838 83 HD13 ILE 10 HD13 ILE 10 -9.083 3.211 -20.633 84 H GLY 11 H GLY 11 -5.391 2.356 -23.561 85 HA2 GLY 11 HA2 GLY 11 -5.172 3.320 -26.346 86 HA3 GLY 11 HA3 GLY 11 -3.814 3.222 -25.234 87 H ARG 12 H ARG 12 -6.345 1.088 -26.562 88 HA ARG 12 HA ARG 12 -4.357 -1.071 -26.665 89 HB2 ARG 12 HB2 ARG 12 -7.361 -1.046 -26.580 90 HB3 ARG 12 HB3 ARG 12 -6.486 -2.468 -27.131 91 HG2 ARG 12 HG2 ARG 12 -5.798 -3.014 -25.059 92 HG3 ARG 12 HG3 ARG 12 -5.584 -1.332 -24.571 93 HD2 ARG 12 HD2 ARG 12 -7.386 -2.425 -23.319 94 HD3 ARG 12 HD3 ARG 12 -7.984 -1.084 -24.295 95 HE ARG 12 HE ARG 12 -8.204 -3.511 -25.726 96 HH11 ARG 12 HH11 ARG 12 -9.641 -1.754 -23.087 97 HH12 ARG 12 HH12 ARG 12 -11.202 -2.480 -23.282 98 HH21 ARG 12 HH21 ARG 12 -10.255 -4.474 -25.993 99 HH22 ARG 12 HH22 ARG 12 -11.550 -4.028 -24.935 100 H SER 13 H SER 13 -3.775 0.603 -28.582 101 HA SER 13 HA SER 13 -4.779 -0.705 -31.012 102 HB2 SER 13 HB2 SER 13 -5.432 1.221 -32.026 103 HB3 SER 13 HB3 SER 13 -5.593 1.806 -30.370 104 HG SER 13 HG SER 13 -3.756 2.473 -32.310 105 H SER 14 H SER 14 -3.314 0.376 -32.929 106 HA SER 14 HA SER 14 -0.574 -0.298 -32.139 107 HB2 SER 14 HB2 SER 14 -2.081 -0.394 -34.729 108 HB3 SER 14 HB3 SER 14 -0.320 -0.301 -34.751 109 HG SER 14 HG SER 14 -0.268 -2.330 -34.248 110 H LYS 15 H LYS 15 -1.660 2.277 -31.494 111 HA LYS 15 HA LYS 15 -0.820 4.247 -33.351 112 HB2 LYS 15 HB2 LYS 15 -1.311 5.833 -31.678 113 HB3 LYS 15 HB3 LYS 15 -2.455 4.524 -31.412 114 HG2 LYS 15 HG2 LYS 15 0.135 4.657 -29.911 115 HG3 LYS 15 HG3 LYS 15 -1.292 5.549 -29.378 116 HD2 LYS 15 HD2 LYS 15 -1.833 3.675 -28.277 117 HD3 LYS 15 HD3 LYS 15 -2.303 3.045 -29.858 118 HE2 LYS 15 HE2 LYS 15 -0.482 1.703 -30.013 119 HE3 LYS 15 HE3 LYS 15 0.559 2.834 -29.149 120 HZ1 LYS 15 HZ1 LYS 15 -0.373 0.544 -28.118 121 HZ2 LYS 15 HZ2 LYS 15 -1.529 1.638 -27.546 122 HZ3 LYS 15 HZ3 LYS 15 0.108 1.875 -27.191 123 H ILE 16 H ILE 16 1.035 5.494 -33.426 124 HA ILE 16 HA ILE 16 3.149 5.283 -31.540 125 HB ILE 16 HB ILE 16 4.675 4.357 -33.574 126 HG12 ILE 16 HG12 ILE 16 2.173 2.667 -33.675 127 HG13 ILE 16 HG13 ILE 16 2.555 3.896 -34.877 128 HG21 ILE 16 HG21 ILE 16 3.705 3.411 -31.056 129 HG22 ILE 16 HG22 ILE 16 3.852 2.058 -32.176 130 HG23 ILE 16 HG23 ILE 16 5.247 3.086 -31.847 131 HD11 ILE 16 HD11 ILE 16 4.820 2.215 -34.575 132 HD12 ILE 16 HD12 ILE 16 3.390 1.203 -34.785 133 HD13 ILE 16 HD13 ILE 16 3.782 2.435 -35.983 134 H ILE 17 H ILE 17 5.227 6.287 -32.497 135 HA ILE 17 HA ILE 17 4.404 8.577 -34.148 136 HB ILE 17 HB ILE 17 6.361 9.749 -33.226 137 HG12 ILE 17 HG12 ILE 17 7.451 7.366 -32.728 138 HG13 ILE 17 HG13 ILE 17 7.900 8.803 -31.816 139 HG21 ILE 17 HG21 ILE 17 4.415 8.580 -31.251 140 HG22 ILE 17 HG22 ILE 17 5.526 9.890 -30.858 141 HG23 ILE 17 HG23 ILE 17 4.301 10.118 -32.105 142 HD11 ILE 17 HD11 ILE 17 6.779 8.121 -29.936 143 HD12 ILE 17 HD12 ILE 17 5.672 7.087 -30.839 144 HD13 ILE 17 HD13 ILE 17 7.343 6.583 -30.588 145 H LEU 18 H LEU 18 6.167 9.514 -35.531 146 HA LEU 18 HA LEU 18 8.019 7.495 -36.568 147 HB2 LEU 18 HB2 LEU 18 6.102 7.299 -37.992 148 HB3 LEU 18 HB3 LEU 18 6.016 9.047 -38.195 149 HG LEU 18 HG LEU 18 6.980 7.519 -40.090 150 HD11 LEU 18 HD11 LEU 18 6.905 10.092 -39.812 151 HD12 LEU 18 HD12 LEU 18 8.005 9.383 -40.994 152 HD13 LEU 18 HD13 LEU 18 8.621 9.931 -39.434 153 HD21 LEU 18 HD21 LEU 18 8.688 6.665 -38.274 154 HD22 LEU 18 HD22 LEU 18 9.580 8.105 -38.767 155 HD23 LEU 18 HD23 LEU 18 9.169 6.871 -39.959 156 HA PRO 19 HA PRO 19 10.489 11.225 -36.125 157 HB2 PRO 19 HB2 PRO 19 12.869 9.959 -36.444 158 HB3 PRO 19 HB3 PRO 19 11.972 9.949 -34.920 159 HG2 PRO 19 HG2 PRO 19 12.105 7.854 -37.054 160 HG3 PRO 19 HG3 PRO 19 12.165 7.662 -35.292 161 HD2 PRO 19 HD2 PRO 19 9.915 7.212 -36.731 162 HD3 PRO 19 HD3 PRO 19 9.877 7.836 -35.069 163 H ALA 20 H ALA 20 9.937 12.288 -38.029 164 HA ALA 20 HA ALA 20 11.689 11.705 -40.312 165 HB1 ALA 20 HB1 ALA 20 9.798 10.836 -41.245 166 HB2 ALA 20 HB2 ALA 20 8.722 11.871 -40.305 167 HB3 ALA 20 HB3 ALA 20 9.592 12.530 -41.691 168 H CYS 21 H CYS 21 9.222 14.069 -39.269 169 HA CYS 21 HA CYS 21 10.969 16.219 -40.233 170 HB2 CYS 21 HB2 CYS 21 8.722 16.274 -41.140 171 HB3 CYS 21 HB3 CYS 21 8.030 16.209 -39.522 172 H MET 22 H MET 22 9.035 15.278 -37.409 173 HA MET 22 HA MET 22 10.926 16.171 -35.540 174 HB2 MET 22 HB2 MET 22 10.350 18.411 -36.226 175 HB3 MET 22 HB3 MET 22 8.633 18.070 -36.054 176 HG2 MET 22 HG2 MET 22 8.652 18.498 -33.871 177 HG3 MET 22 HG3 MET 22 10.137 17.585 -33.614 178 HE1 MET 22 HE1 MET 22 11.259 20.847 -31.967 179 HE2 MET 22 HE2 MET 22 9.558 20.384 -31.943 180 HE3 MET 22 HE3 MET 22 10.810 19.151 -31.783 181 H HIS 23 H HIS 23 7.521 16.902 -35.117 182 HA HIS 23 HA HIS 23 7.273 14.503 -33.423 183 HB2 HIS 23 HB2 HIS 23 6.178 17.285 -33.017 184 HB3 HIS 23 HB3 HIS 23 5.574 15.889 -32.129 185 HD1 HIS 23 HD1 HIS 23 7.767 14.488 -30.968 186 HD2 HIS 23 HD2 HIS 23 8.056 18.585 -31.594 187 HE1 HIS 23 HE1 HIS 23 9.581 15.278 -29.417 188 H GLU 24 H GLU 24 5.932 13.067 -34.277 189 HA GLU 24 HA GLU 24 3.361 13.928 -35.319 190 HB2 GLU 24 HB2 GLU 24 3.664 12.505 -37.378 191 HB3 GLU 24 HB3 GLU 24 4.599 13.994 -37.350 192 HG2 GLU 24 HG2 GLU 24 6.524 12.585 -36.477 193 HG3 GLU 24 HG3 GLU 24 5.561 11.184 -36.940 194 H THR 25 H THR 25 1.899 12.085 -35.714 195 HA THR 25 HA THR 25 2.660 9.544 -34.535 196 HB THR 25 HB THR 25 0.229 10.881 -33.386 197 HG1 THR 25 HG1 THR 25 1.645 11.418 -31.577 198 HG21 THR 25 HG21 THR 25 2.036 8.622 -32.534 199 HG22 THR 25 HG22 THR 25 0.339 8.529 -33.004 200 HG23 THR 25 HG23 THR 25 0.794 9.318 -31.494 201 H CYS 26 H CYS 26 0.924 7.915 -34.736 202 HA CYS 26 HA CYS 26 -1.277 8.511 -36.507 203 HB2 CYS 26 HB2 CYS 26 0.958 8.027 -37.850 204 HB3 CYS 26 HB3 CYS 26 0.530 6.354 -37.505 205 H SER 27 H SER 27 -2.879 6.944 -36.478 206 HA SER 27 HA SER 27 -2.490 4.353 -35.348 207 HB2 SER 27 HB2 SER 27 -3.473 4.568 -33.249 208 HB3 SER 27 HB3 SER 27 -2.535 6.058 -33.363 209 HG SER 27 HG SER 27 -5.317 5.691 -33.684 210 H GLY 28 H GLY 28 -3.963 3.044 -36.216 211 HA2 GLY 28 HA2 GLY 28 -6.658 4.034 -36.755 212 HA3 GLY 28 HA3 GLY 28 -5.717 3.502 -38.141 213 H GLY 29 H GLY 29 -6.568 2.337 -34.874 214 HA2 GLY 29 HA2 GLY 29 -7.495 -0.165 -36.061 215 HA3 GLY 29 HA3 GLY 29 -6.152 -0.278 -34.933 216 H PHE 30 H PHE 30 -6.971 1.719 -33.113 217 HA PHE 30 HA PHE 30 -9.618 0.959 -32.188 218 HB2 PHE 30 HB2 PHE 30 -7.989 -0.750 -31.283 219 HB3 PHE 30 HB3 PHE 30 -7.235 0.557 -30.377 220 HD1 PHE 30 HD2 PHE 30 -10.686 -0.734 -30.994 221 HD2 PHE 30 HD1 PHE 30 -7.840 0.715 -28.180 222 HE1 PHE 30 HE2 PHE 30 -12.319 -1.056 -29.182 223 HE2 PHE 30 HE1 PHE 30 -9.469 0.395 -26.363 224 HZ PHE 30 HZ PHE 30 -11.712 -0.490 -26.863 225 H SER 31 H SER 31 -7.903 3.357 -33.015 226 HA SER 31 HA SER 31 -8.880 5.112 -30.900 227 HB2 SER 31 HB2 SER 31 -6.103 4.455 -31.238 228 HB3 SER 31 HB3 SER 31 -6.349 6.161 -31.611 229 HG SER 31 HG SER 31 -6.457 6.458 -29.545 230 H LEU 32 H LEU 32 -7.340 4.816 -34.070 231 HA LEU 32 HA LEU 32 -7.533 6.021 -35.989 232 HB2 LEU 32 HB2 LEU 32 -10.123 7.144 -35.021 233 HB3 LEU 32 HB3 LEU 32 -9.665 6.629 -36.643 234 HG LEU 32 HG LEU 32 -10.264 4.794 -34.322 235 HD11 LEU 32 HD11 LEU 32 -11.930 4.870 -36.767 236 HD12 LEU 32 HD12 LEU 32 -12.111 6.203 -35.627 237 HD13 LEU 32 HD13 LEU 32 -12.380 4.544 -35.093 238 HD21 LEU 32 HD21 LEU 32 -10.406 3.257 -36.521 239 HD22 LEU 32 HD22 LEU 32 -8.946 3.430 -35.547 240 HD23 LEU 32 HD23 LEU 32 -9.142 4.381 -37.020 241 H LYS 33 H LYS 33 -5.789 7.303 -34.768 242 HA LYS 33 HA LYS 33 -6.503 10.118 -34.989 243 HB2 LYS 33 HB2 LYS 33 -5.040 9.098 -32.553 244 HB3 LYS 33 HB3 LYS 33 -5.583 10.742 -32.861 245 HG2 LYS 33 HG2 LYS 33 -7.880 10.086 -32.645 246 HG3 LYS 33 HG3 LYS 33 -7.426 8.385 -32.523 247 HD2 LYS 33 HD2 LYS 33 -7.927 9.285 -30.323 248 HD3 LYS 33 HD3 LYS 33 -6.214 8.876 -30.439 249 HE2 LYS 33 HE2 LYS 33 -5.653 10.962 -29.926 250 HE3 LYS 33 HE3 LYS 33 -6.585 11.575 -31.292 251 HZ1 LYS 33 HZ1 LYS 33 -7.166 11.756 -28.541 252 HZ2 LYS 33 HZ2 LYS 33 -8.403 10.894 -29.306 253 HZ3 LYS 33 HZ3 LYS 33 -7.995 12.445 -29.845 254 H ASN 34 H ASN 34 -4.394 11.471 -34.606 255 HA ASN 34 HA ASN 34 -1.885 10.278 -35.104 256 HB2 ASN 34 HB2 ASN 34 -1.612 11.196 -37.460 257 HB3 ASN 34 HB3 ASN 34 -2.625 9.764 -37.302 258 HD21 ASN 34 HD21 ASN 34 -4.351 9.842 -38.523 259 HD22 ASN 34 HD22 ASN 34 -5.262 11.256 -38.922 260 H ASP 35 H ASP 35 -0.196 11.902 -35.570 261 HA ASP 35 HA ASP 35 -1.019 14.585 -34.668 262 HB2 ASP 35 HB2 ASP 35 0.505 12.959 -33.196 263 HB3 ASP 35 HB3 ASP 35 1.770 13.654 -34.205 264 H CYS 36 H CYS 36 -0.666 16.163 -36.072 265 HA CYS 36 HA CYS 36 0.401 15.828 -38.604 266 HB2 CYS 36 HB2 CYS 36 -0.642 17.988 -37.048 267 HB3 CYS 36 HB3 CYS 36 0.827 18.536 -37.849 268 H TRP 37 H TRP 37 2.278 17.402 -39.374 269 HA TRP 37 HA TRP 37 4.639 16.622 -37.804 270 HB2 TRP 37 HB2 TRP 37 5.738 17.310 -40.132 271 HB3 TRP 37 HB3 TRP 37 5.059 15.708 -39.860 272 HD1 TRP 37 HD1 TRP 37 3.482 14.924 -41.708 273 HE1 TRP 37 HE1 TRP 37 2.027 16.058 -43.503 274 HE3 TRP 37 HE3 TRP 37 4.317 19.812 -40.463 275 HZ2 TRP 37 HZ2 TRP 37 1.326 18.677 -44.288 276 HZ3 TRP 37 HZ3 TRP 37 3.217 21.571 -41.786 277 HH2 TRP 37 HH2 TRP 37 1.754 21.013 -43.659 278 H CYS 38 H CYS 38 6.568 18.240 -38.580 279 HA CYS 38 HA CYS 38 5.813 20.777 -37.417 280 HB2 CYS 38 HB2 CYS 38 8.244 21.270 -37.534 281 HB3 CYS 38 HB3 CYS 38 7.892 19.763 -36.694 282 H CYS 39 H CYS 39 6.166 22.820 -38.382 283 HA CYS 39 HA CYS 39 5.364 22.995 -41.084 284 HB2 CYS 39 HB2 CYS 39 6.394 25.013 -39.101 285 HB3 CYS 39 HB3 CYS 39 6.014 25.465 -40.760 286 H LEU 40 H LEU 40 6.771 24.807 -42.408 287 HA LEU 40 HA LEU 40 8.833 23.450 -43.612 288 HB2 LEU 40 HB2 LEU 40 7.601 25.873 -43.968 289 HB3 LEU 40 HB3 LEU 40 9.251 26.343 -43.565 290 HG LEU 40 HG LEU 40 8.926 24.263 -45.649 291 HD11 LEU 40 HD11 LEU 40 7.987 25.533 -47.255 292 HD12 LEU 40 HD12 LEU 40 8.683 27.029 -46.633 293 HD13 LEU 40 HD13 LEU 40 7.241 26.349 -45.880 294 HD21 LEU 40 HD21 LEU 40 11.137 24.876 -45.206 295 HD22 LEU 40 HD22 LEU 40 10.738 26.590 -45.095 296 HD23 LEU 40 HD23 LEU 40 10.725 25.781 -46.663 297 H ARG 41 H ARG 41 9.318 26.235 -41.431 298 HA ARG 41 HA ARG 41 11.456 24.900 -40.047 299 HB2 ARG 41 HB2 ARG 41 13.255 26.324 -40.691 300 HB3 ARG 41 HB3 ARG 41 12.518 25.734 -42.174 301 HG2 ARG 41 HG2 ARG 41 12.572 27.877 -42.800 302 HG3 ARG 41 HG3 ARG 41 11.144 28.044 -41.777 303 HD2 ARG 41 HD2 ARG 41 12.402 29.710 -40.881 304 HD3 ARG 41 HD3 ARG 41 13.007 28.369 -39.909 305 HE ARG 41 HE ARG 41 14.514 28.739 -42.307 306 HH11 ARG 41 HH11 ARG 41 14.070 29.896 -39.054 307 HH12 ARG 41 HH12 ARG 41 15.689 30.496 -38.907 308 HH21 ARG 41 HH21 ARG 41 16.648 29.525 -42.126 309 HH22 ARG 41 HH22 ARG 41 17.154 30.285 -40.656 310 H LEU 42 H LEU 42 11.646 25.670 -38.025 311 HA LEU 42 HA LEU 42 10.799 28.391 -37.412 312 HB2 LEU 42 HB2 LEU 42 9.489 27.424 -35.430 313 HB3 LEU 42 HB3 LEU 42 8.744 27.393 -37.027 314 HG LEU 42 HG LEU 42 10.194 24.945 -36.473 315 HD11 LEU 42 HD11 LEU 42 7.779 25.178 -34.770 316 HD12 LEU 42 HD12 LEU 42 9.280 25.875 -34.162 317 HD13 LEU 42 HD13 LEU 42 9.210 24.164 -34.581 318 HD21 LEU 42 HD21 LEU 42 8.447 24.010 -37.575 319 HD22 LEU 42 HD22 LEU 42 8.224 25.674 -38.116 320 HD23 LEU 42 HD23 LEU 42 7.252 25.041 -36.787 321 H LYS 43 H LYS 43 11.803 29.267 -35.642 322 HA LYS 43 HA LYS 43 13.951 27.646 -34.478 323 HB2 LYS 43 HB2 LYS 43 15.116 29.645 -34.047 324 HB3 LYS 43 HB3 LYS 43 14.395 29.883 -35.633 325 HG2 LYS 43 HG2 LYS 43 13.790 31.859 -34.749 326 HG3 LYS 43 HG3 LYS 43 12.452 30.913 -34.092 327 HD2 LYS 43 HD2 LYS 43 13.417 30.797 -31.973 328 HD3 LYS 43 HD3 LYS 43 15.027 31.190 -32.581 329 HE2 LYS 43 HE2 LYS 43 12.844 33.193 -32.893 330 HE3 LYS 43 HE3 LYS 43 13.571 32.975 -31.302 331 HZ1 LYS 43 HZ1 LYS 43 15.095 34.410 -32.027 332 HZ2 LYS 43 HZ2 LYS 43 14.647 34.235 -33.649 333 HZ3 LYS 43 HZ3 LYS 43 15.717 33.131 -32.943 334 H THR 44 H THR 44 11.015 29.296 -33.693 335 HA THR 44 HA THR 44 11.448 28.681 -30.841 336 HB THR 44 HB THR 44 11.287 31.092 -31.184 337 HG1 THR 44 HG1 THR 44 9.169 31.309 -29.923 338 HG21 THR 44 HG21 THR 44 9.899 30.899 -33.289 339 HG22 THR 44 HG22 THR 44 9.401 32.160 -32.161 340 HG23 THR 44 HG23 THR 44 8.502 30.645 -32.244 341 H LYS 45 H LYS 45 9.069 28.825 -33.459 342 HA LYS 45 HA LYS 45 7.826 26.419 -32.840 343 HB2 LYS 45 HB2 LYS 45 6.967 27.271 -30.820 344 HB3 LYS 45 HB3 LYS 45 6.584 28.830 -31.539 345 HG2 LYS 45 HG2 LYS 45 4.787 27.817 -32.824 346 HG3 LYS 45 HG3 LYS 45 5.186 26.234 -32.154 347 HD2 LYS 45 HD2 LYS 45 4.347 28.624 -30.516 348 HD3 LYS 45 HD3 LYS 45 3.260 27.333 -31.033 349 HE2 LYS 45 HE2 LYS 45 4.966 25.763 -29.889 350 HE3 LYS 45 HE3 LYS 45 5.538 27.225 -29.087 351 HZ1 LYS 45 HZ1 LYS 45 3.557 27.487 -27.964 352 HZ2 LYS 45 HZ2 LYS 45 3.730 25.805 -27.962 353 HZ3 LYS 45 HZ3 LYS 45 2.672 26.545 -29.055 354 H GLN 46 H GLN 46 7.516 29.658 -34.134 355 HA GLN 46 HA GLN 46 6.129 28.529 -36.462 356 HB2 GLN 46 HB2 GLN 46 4.737 30.579 -36.598 357 HB3 GLN 46 HB3 GLN 46 4.405 29.613 -35.167 358 HG2 GLN 46 HG2 GLN 46 4.784 31.361 -33.876 359 HG3 GLN 46 HG3 GLN 46 6.421 31.499 -34.513 360 HE21 GLN 46 HE21 GLN 46 5.984 32.210 -37.096 361 HE22 GLN 46 HE22 GLN 46 5.213 33.754 -37.167 362 H ALA 47 H ALA 47 6.409 29.741 -38.427 363 HA ALA 47 HA ALA 47 7.988 32.024 -38.706 364 HB1 ALA 47 HB1 ALA 47 9.929 30.413 -39.794 365 HB2 ALA 47 HB2 ALA 47 10.029 31.246 -38.242 366 HB3 ALA 47 HB3 ALA 47 9.498 29.565 -38.308 367 H ARG 48 H ARG 48 8.383 28.986 -40.500 368 HA ARG 48 HA ARG 48 6.951 30.232 -42.755 369 HB2 ARG 48 HB2 ARG 48 9.285 28.317 -42.925 370 HB3 ARG 48 HB3 ARG 48 8.456 29.073 -44.280 371 HG2 ARG 48 HG2 ARG 48 9.183 31.288 -43.397 372 HG3 ARG 48 HG3 ARG 48 10.147 30.428 -42.194 373 HD2 ARG 48 HD2 ARG 48 11.709 30.781 -43.843 374 HD3 ARG 48 HD3 ARG 48 11.105 29.184 -44.284 375 HE ARG 48 HE ARG 48 9.519 30.859 -45.698 376 HH11 ARG 48 HH11 ARG 48 12.969 30.538 -45.364 377 HH12 ARG 48 HH12 ARG 48 13.308 31.109 -46.964 378 HH21 ARG 48 HH21 ARG 48 9.952 31.612 -47.807 379 HH22 ARG 48 HH22 ARG 48 11.592 31.720 -48.353 380 H CYS 49 H CYS 49 5.153 29.202 -43.291 381 HA CYS 49 HA CYS 49 5.055 26.317 -43.385 382 HB2 CYS 49 HB2 CYS 49 4.385 27.295 -40.989 383 HB3 CYS 49 HB3 CYS 49 2.837 27.512 -41.799 384 H TRP 50 H TRP 50 2.825 25.586 -44.148 385 HA TRP 50 HA TRP 50 1.702 27.610 -45.972 386 HB2 TRP 50 HB2 TRP 50 1.210 25.663 -47.511 387 HB3 TRP 50 HB3 TRP 50 2.914 26.070 -47.328 388 HD1 TRP 50 HD1 TRP 50 0.537 23.220 -47.026 389 HE1 TRP 50 HE1 TRP 50 1.750 21.150 -46.093 390 HE3 TRP 50 HE3 TRP 50 4.886 25.441 -45.514 391 HZ2 TRP 50 HZ2 TRP 50 4.223 20.540 -44.876 392 HZ3 TRP 50 HZ3 TRP 50 6.624 24.044 -44.474 393 HH2 TRP 50 HH2 TRP 50 6.298 21.645 -44.162 394 H LYS 51 H LYS 51 -0.407 27.980 -45.774 395 HA LYS 51 HA LYS 51 -1.959 26.599 -43.822 396 HB2 LYS 51 HB2 LYS 51 -2.091 29.066 -45.078 397 HB3 LYS 51 HB3 LYS 51 -3.490 28.210 -45.712 398 HG2 LYS 51 HG2 LYS 51 -4.294 29.312 -43.828 399 HG3 LYS 51 HG3 LYS 51 -4.030 27.657 -43.276 400 HD2 LYS 51 HD2 LYS 51 -3.003 28.749 -41.567 401 HD3 LYS 51 HD3 LYS 51 -1.636 28.669 -42.682 402 HE2 LYS 51 HE2 LYS 51 -1.612 30.889 -42.985 403 HE3 LYS 51 HE3 LYS 51 -3.368 30.981 -43.115 404 HZ1 LYS 51 HZ1 LYS 51 -1.700 31.049 -40.677 405 HZ2 LYS 51 HZ2 LYS 51 -3.345 30.661 -40.603 406 HZ3 LYS 51 HZ3 LYS 51 -2.857 32.169 -41.196 407 H GLU 52 H GLU 52 -3.484 25.047 -44.049 408 HA GLU 52 HA GLU 52 -3.448 23.389 -46.325 409 HB2 GLU 52 HB2 GLU 52 -5.668 23.435 -44.289 410 HB3 GLU 52 HB3 GLU 52 -5.077 22.067 -45.223 411 HG2 GLU 52 HG2 GLU 52 -3.838 21.516 -43.478 412 HG3 GLU 52 HG3 GLU 52 -2.864 22.951 -43.794 413 H LYS 53 H LYS 53 -5.257 26.207 -45.564 414 HA LYS 53 HA LYS 53 -7.468 25.701 -47.309 415 HB2 LYS 53 HB2 LYS 53 -7.994 28.090 -46.955 416 HB3 LYS 53 HB3 LYS 53 -7.730 27.228 -45.445 417 HG2 LYS 53 HG2 LYS 53 -5.455 28.139 -45.336 418 HG3 LYS 53 HG3 LYS 53 -5.754 29.031 -46.829 419 HD2 LYS 53 HD2 LYS 53 -7.897 29.643 -45.127 420 HD3 LYS 53 HD3 LYS 53 -6.448 29.716 -44.122 421 HE2 LYS 53 HE2 LYS 53 -5.587 31.488 -45.255 422 HE3 LYS 53 HE3 LYS 53 -6.297 30.991 -46.790 423 HZ1 LYS 53 HZ1 LYS 53 -7.841 32.523 -46.455 424 HZ2 LYS 53 HZ2 LYS 53 -7.274 32.856 -44.897 425 HZ3 LYS 53 HZ3 LYS 53 -8.414 31.630 -45.138 426 H GLU 54 H GLU 54 -4.400 27.424 -47.573 427 HA GLU 54 HA GLU 54 -5.000 28.141 -50.343 428 HB2 GLU 54 HB2 GLU 54 -2.831 28.942 -48.417 429 HB3 GLU 54 HB3 GLU 54 -2.706 29.290 -50.135 430 HG2 GLU 54 HG2 GLU 54 -5.186 30.100 -48.724 431 HG3 GLU 54 HG3 GLU 54 -3.715 31.025 -48.428 432 H PHE 55 H PHE 55 -3.581 25.641 -48.636 433 HA PHE 55 HA PHE 55 -2.242 24.687 -51.061 434 HB2 PHE 55 HB2 PHE 55 -0.998 25.183 -48.417 435 HB3 PHE 55 HB3 PHE 55 -0.560 23.676 -49.214 436 HD1 PHE 55 HD2 PHE 55 -0.890 27.312 -49.973 437 HD2 PHE 55 HD1 PHE 55 1.232 23.685 -50.648 438 HE1 PHE 55 HE2 PHE 55 0.737 28.526 -51.364 439 HE2 PHE 55 HE1 PHE 55 2.863 24.893 -52.038 440 HZ PHE 55 HZ PHE 55 2.616 27.317 -52.399 441 HA PRO 56 HA PRO 56 -4.876 21.267 -49.861 442 HB2 PRO 56 HB2 PRO 56 -4.464 19.839 -52.133 443 HB3 PRO 56 HB3 PRO 56 -5.571 21.214 -52.051 444 HG2 PRO 56 HG2 PRO 56 -2.761 21.103 -53.077 445 HG3 PRO 56 HG3 PRO 56 -4.174 21.921 -53.770 446 HD2 PRO 56 HD2 PRO 56 -2.281 23.236 -52.349 447 HD3 PRO 56 HD3 PRO 56 -3.989 23.721 -52.343 448 H ASN 57 H ASN 57 -1.538 21.118 -50.935 449 HA ASN 57 HA ASN 57 -1.022 18.412 -50.423 450 HB2 ASN 57 HB2 ASN 57 0.507 20.781 -51.039 451 HB3 ASN 57 HB3 ASN 57 1.330 19.830 -49.806 452 HD21 ASN 57 HD21 ASN 57 0.774 17.292 -50.466 453 HD22 ASN 57 HD22 ASN 57 1.404 16.912 -52.029 454 H ALA 58 H ALA 58 -1.173 21.190 -48.303 455 HA ALA 58 HA ALA 58 0.138 20.187 -46.059 456 HB1 ALA 58 HB1 ALA 58 -2.201 21.751 -45.360 457 HB2 ALA 58 HB2 ALA 58 -0.490 22.117 -45.141 458 HB3 ALA 58 HB3 ALA 58 -1.279 22.480 -46.675 459 H LYS 59 H LYS 59 -3.310 19.977 -46.916 460 HA LYS 59 HA LYS 59 -4.034 18.429 -44.651 461 HB2 LYS 59 HB2 LYS 59 -5.656 19.759 -45.943 462 HB3 LYS 59 HB3 LYS 59 -5.430 18.690 -47.321 463 HG2 LYS 59 HG2 LYS 59 -6.082 17.052 -45.127 464 HG3 LYS 59 HG3 LYS 59 -7.200 18.419 -45.102 465 HD2 LYS 59 HD2 LYS 59 -8.343 17.071 -46.534 466 HD3 LYS 59 HD3 LYS 59 -7.294 17.869 -47.708 467 HE2 LYS 59 HE2 LYS 59 -6.065 16.002 -48.078 468 HE3 LYS 59 HE3 LYS 59 -6.206 15.449 -46.411 469 HZ1 LYS 59 HZ1 LYS 59 -8.502 15.377 -48.272 470 HZ2 LYS 59 HZ2 LYS 59 -8.300 14.533 -46.820 471 HZ3 LYS 59 HZ3 LYS 59 -7.392 14.103 -48.181 472 H GLU 60 H GLU 60 -3.078 17.618 -47.949 473 HA GLU 60 HA GLU 60 -3.667 14.866 -47.833 474 HB2 GLU 60 HB2 GLU 60 -1.796 16.512 -49.514 475 HB3 GLU 60 HB3 GLU 60 -1.845 14.761 -49.666 476 HG2 GLU 60 HG2 GLU 60 -4.365 15.054 -50.013 477 HG3 GLU 60 HG3 GLU 60 -3.990 16.756 -50.280 478 H LEU 61 H LEU 61 -0.666 16.653 -47.190 479 HA LEU 61 HA LEU 61 0.902 14.386 -46.575 480 HB2 LEU 61 HB2 LEU 61 1.237 17.228 -45.630 481 HB3 LEU 61 HB3 LEU 61 2.470 15.970 -45.586 482 HG LEU 61 HG LEU 61 1.300 16.661 -48.227 483 HD11 LEU 61 HD11 LEU 61 2.718 18.569 -48.519 484 HD12 LEU 61 HD12 LEU 61 3.392 18.377 -46.901 485 HD13 LEU 61 HD13 LEU 61 1.702 18.842 -47.103 486 HD21 LEU 61 HD21 LEU 61 3.758 16.372 -48.813 487 HD22 LEU 61 HD22 LEU 61 2.897 14.937 -48.256 488 HD23 LEU 61 HD23 LEU 61 3.973 15.802 -47.157 489 H CYS 62 H CYS 62 -0.844 16.689 -44.506 490 HA CYS 62 HA CYS 62 -0.130 15.611 -42.036 491 HB2 CYS 62 HB2 CYS 62 -1.548 17.756 -42.750 492 HB3 CYS 62 HB3 CYS 62 -2.889 16.679 -42.372 493 H PHE 63 H PHE 63 -2.864 14.832 -44.155 494 HA PHE 63 HA PHE 63 -3.932 12.850 -42.392 495 HB2 PHE 63 HB2 PHE 63 -4.533 13.832 -45.134 496 HB3 PHE 63 HB3 PHE 63 -5.097 12.217 -44.717 497 HD1 PHE 63 HD1 PHE 63 -4.929 15.488 -42.922 498 HD2 PHE 63 HD2 PHE 63 -7.317 12.192 -44.170 499 HE1 PHE 63 HE1 PHE 63 -6.875 16.469 -41.778 500 HE2 PHE 63 HE2 PHE 63 -9.266 13.168 -43.029 501 HZ PHE 63 HZ PHE 63 -9.047 15.309 -41.832 502 H ALA 64 H ALA 64 -1.569 12.886 -44.928 503 HA ALA 64 HA ALA 64 -1.578 10.023 -45.309 504 HB1 ALA 64 HB1 ALA 64 0.381 12.099 -46.285 505 HB2 ALA 64 HB2 ALA 64 0.294 10.419 -46.816 506 HB3 ALA 64 HB3 ALA 64 -1.036 11.524 -47.165 507 H ASN 65 H ASN 65 -0.133 12.238 -43.151 508 HA ASN 65 HA ASN 65 2.325 11.162 -42.558 509 HB2 ASN 65 HB2 ASN 65 2.261 12.394 -40.617 510 HB3 ASN 65 HB3 ASN 65 0.949 13.166 -41.502 511 HD21 ASN 65 HD21 ASN 65 1.773 12.134 -38.576 512 HD22 ASN 65 HD22 ASN 65 0.227 11.695 -37.940 513 H CYS 66 H CYS 66 3.073 9.358 -41.618 514 HA CYS 66 HA CYS 66 1.783 7.816 -39.688 515 HB2 CYS 66 HB2 CYS 66 0.868 7.314 -42.390 516 HB3 CYS 66 HB3 CYS 66 1.610 5.875 -41.698 517 HA PRO 67 HA PRO 67 5.798 6.053 -39.495 518 HB2 PRO 67 HB2 PRO 67 5.272 3.666 -38.315 519 HB3 PRO 67 HB3 PRO 67 5.197 5.204 -37.447 520 HG2 PRO 67 HG2 PRO 67 2.972 3.584 -38.625 521 HG3 PRO 67 HG3 PRO 67 3.044 4.415 -37.060 522 HD2 PRO 67 HD2 PRO 67 1.754 5.452 -39.203 523 HD3 PRO 67 HD3 PRO 67 2.554 6.468 -37.986 524 HA PRO 68 HA PRO 68 6.606 3.310 -42.835 525 HB2 PRO 68 HB2 PRO 68 8.670 1.818 -41.895 526 HB3 PRO 68 HB3 PRO 68 8.842 3.517 -42.349 527 HG2 PRO 68 HG2 PRO 68 8.498 2.308 -39.632 528 HG3 PRO 68 HG3 PRO 68 9.588 3.609 -40.148 529 HD2 PRO 68 HD2 PRO 68 7.253 4.089 -38.863 530 HD3 PRO 68 HD3 PRO 68 7.926 5.204 -40.070 531 H LEU 69 H LEU 69 7.257 0.812 -43.162 532 HA LEU 69 HA LEU 69 4.998 -0.662 -42.103 533 HB2 LEU 69 HB2 LEU 69 7.091 -1.806 -43.912 534 HB3 LEU 69 HB3 LEU 69 5.386 -2.232 -43.780 535 HG LEU 69 HG LEU 69 6.550 0.229 -45.077 536 HD11 LEU 69 HD11 LEU 69 4.770 -1.730 -46.432 537 HD12 LEU 69 HD12 LEU 69 6.462 -2.160 -46.178 538 HD13 LEU 69 HD13 LEU 69 6.048 -0.712 -47.096 539 HD21 LEU 69 HD21 LEU 69 4.510 0.835 -43.924 540 HD22 LEU 69 HD22 LEU 69 3.668 -0.545 -44.629 541 HD23 LEU 69 HD23 LEU 69 4.220 0.775 -45.662 542 H GLU 70 H GLU 70 6.064 -0.458 -39.892 543 HA GLU 70 HA GLU 70 7.960 -2.676 -39.481 544 HB2 GLU 70 HB2 GLU 70 8.535 -0.207 -38.829 545 HB3 GLU 70 HB3 GLU 70 7.501 -0.527 -37.444 546 HG2 GLU 70 HG2 GLU 70 9.475 -1.139 -36.537 547 HG3 GLU 70 HG3 GLU 70 9.043 -2.680 -37.277
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