NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574310 | 2mhf | 19621 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -7.136 12.282 -20.352 2 HA MET 1 HA MET 1 -7.579 10.844 -18.352 3 HB2 MET 1 2HB MET 1 -9.048 10.855 -20.561 4 HB3 MET 1 1HB MET 1 -8.451 9.199 -20.689 5 HG2 MET 1 2HG MET 1 -9.868 10.386 -18.283 6 HG3 MET 1 1HG MET 1 -10.575 9.260 -19.443 7 HE1 MET 1 3HE MET 1 -11.288 8.391 -17.407 8 HE2 MET 1 1HE MET 1 -10.253 8.172 -15.988 9 HE3 MET 1 2HE MET 1 -10.659 6.795 -17.009 10 H ASN 2 H ASN 2 -6.279 9.581 -17.181 11 HA ASN 2 HA ASN 2 -5.621 6.940 -17.985 12 HB2 ASN 2 2HB ASN 2 -3.152 7.193 -18.053 13 HB3 ASN 2 1HB ASN 2 -3.953 8.019 -19.388 14 HD21 ASN 2 1HD2 ASN 2 -3.452 9.011 -15.953 15 HD22 ASN 2 2HD2 ASN 2 -2.680 10.472 -16.341 16 H LYS 3 H LYS 3 -3.698 6.152 -16.402 17 HA LYS 3 HA LYS 3 -4.745 6.320 -13.791 18 HB2 LYS 3 2HB LYS 3 -2.137 5.318 -14.914 19 HB3 LYS 3 1HB LYS 3 -2.447 5.311 -13.178 20 HG2 LYS 3 2HG LYS 3 -4.463 3.959 -13.515 21 HG3 LYS 3 1HG LYS 3 -4.226 4.011 -15.262 22 HD2 LYS 3 2HD LYS 3 -2.230 2.713 -15.134 23 HD3 LYS 3 1HD LYS 3 -2.124 2.918 -13.386 24 HE2 LYS 3 2HE LYS 3 -3.027 0.662 -14.247 25 HE3 LYS 3 1HE LYS 3 -3.960 1.474 -12.991 26 HZ1 LYS 3 3HZ LYS 3 -4.581 1.097 -15.820 27 HZ2 LYS 3 1HZ LYS 3 -5.085 2.549 -15.103 28 HZ3 LYS 3 2HZ LYS 3 -5.610 1.064 -14.467 29 H GLU 4 H GLU 4 -4.837 8.235 -12.760 30 HA GLU 4 HA GLU 4 -2.774 10.229 -13.010 31 HB2 GLU 4 2HB GLU 4 -5.279 9.989 -11.355 32 HB3 GLU 4 1HB GLU 4 -4.149 11.326 -11.135 33 HG2 GLU 4 2HG GLU 4 -4.852 10.766 -13.944 34 HG3 GLU 4 1HG GLU 4 -6.197 11.325 -12.951 35 H LEU 5 H LEU 5 -1.478 11.044 -11.284 36 HA LEU 5 HA LEU 5 -0.195 9.016 -9.780 37 HB2 LEU 5 2HB LEU 5 0.341 11.687 -10.515 38 HB3 LEU 5 1HB LEU 5 0.378 11.647 -8.756 39 HG LEU 5 HG LEU 5 2.586 11.130 -9.417 40 HD11 LEU 5 1HD1 LEU 5 1.139 9.334 -7.980 41 HD12 LEU 5 2HD1 LEU 5 2.881 9.244 -8.209 42 HD13 LEU 5 3HD1 LEU 5 1.805 8.300 -9.239 43 HD21 LEU 5 3HD2 LEU 5 1.754 10.600 -11.828 44 HD22 LEU 5 1HD2 LEU 5 1.647 8.937 -11.253 45 HD23 LEU 5 2HD2 LEU 5 3.199 9.774 -11.242 46 H LEU 6 H LEU 6 -2.923 11.028 -9.092 47 HA LEU 6 HA LEU 6 -2.730 11.330 -6.348 48 HB2 LEU 6 2HB LEU 6 -4.969 11.791 -6.249 49 HB3 LEU 6 1HB LEU 6 -4.602 12.146 -7.946 50 HG LEU 6 HG LEU 6 -5.937 9.678 -6.808 51 HD11 LEU 6 1HD1 LEU 6 -6.821 12.097 -8.089 52 HD12 LEU 6 2HD1 LEU 6 -7.793 10.764 -7.466 53 HD13 LEU 6 3HD1 LEU 6 -7.201 10.724 -9.127 54 HD21 LEU 6 3HD2 LEU 6 -4.425 10.071 -9.353 55 HD22 LEU 6 1HD2 LEU 6 -5.933 9.161 -9.436 56 HD23 LEU 6 2HD2 LEU 6 -4.628 8.612 -8.386 57 H GLN 7 H GLN 7 -2.054 8.502 -7.515 58 HA GLN 7 HA GLN 7 -3.815 6.674 -6.279 59 HB2 GLN 7 2HB GLN 7 -1.915 5.110 -6.312 60 HB3 GLN 7 1HB GLN 7 -1.973 5.994 -7.838 61 HG2 GLN 7 2HG GLN 7 -0.420 7.643 -6.253 62 HG3 GLN 7 1HG GLN 7 0.076 6.031 -5.734 63 HE21 GLN 7 1HE2 GLN 7 1.959 5.537 -6.878 64 HE22 GLN 7 2HE2 GLN 7 2.164 5.768 -8.546 65 H LEU 8 H LEU 8 -1.299 8.801 -5.266 66 HA LEU 8 HA LEU 8 -1.849 8.127 -2.436 67 HB2 LEU 8 2HB LEU 8 0.705 9.010 -3.787 68 HB3 LEU 8 1HB LEU 8 0.444 9.243 -2.061 69 HG LEU 8 HG LEU 8 0.290 6.586 -3.510 70 HD11 LEU 8 1HD1 LEU 8 2.401 6.077 -2.601 71 HD12 LEU 8 2HD1 LEU 8 2.311 7.385 -1.422 72 HD13 LEU 8 3HD1 LEU 8 2.584 7.750 -3.125 73 HD21 LEU 8 3HD2 LEU 8 -1.057 6.153 -1.709 74 HD22 LEU 8 1HD2 LEU 8 -0.429 7.517 -0.783 75 HD23 LEU 8 2HD2 LEU 8 0.484 6.010 -0.864 76 HA PRO 9 HA PRO 9 -3.695 12.211 -3.528 77 HB2 PRO 9 2HB PRO 9 -5.169 11.617 -1.025 78 HB3 PRO 9 1HB PRO 9 -5.785 12.084 -2.619 79 HG2 PRO 9 2HG PRO 9 -6.025 9.592 -1.678 80 HG3 PRO 9 1HG PRO 9 -5.786 9.935 -3.401 81 HD2 PRO 9 2HD PRO 9 -3.821 8.897 -1.397 82 HD3 PRO 9 1HD PRO 9 -3.964 8.538 -3.132 83 H LEU 10 H LEU 10 -2.125 11.015 -0.717 84 HA LEU 10 HA LEU 10 -2.163 13.230 0.955 85 HB2 LEU 10 2HB LEU 10 0.264 12.459 1.541 86 HB3 LEU 10 1HB LEU 10 -1.165 11.578 2.095 87 HG LEU 10 HG LEU 10 -0.607 10.534 -0.461 88 HD11 LEU 10 1HD1 LEU 10 1.578 11.799 -0.061 89 HD12 LEU 10 2HD1 LEU 10 1.707 10.095 -0.522 90 HD13 LEU 10 3HD1 LEU 10 1.924 10.573 1.162 91 HD21 LEU 10 3HD2 LEU 10 -1.442 9.136 1.242 92 HD22 LEU 10 1HD2 LEU 10 -0.199 9.632 2.390 93 HD23 LEU 10 2HD2 LEU 10 0.220 8.577 1.035 94 H PHE 11 H PHE 11 0.178 12.482 -1.604 95 HA PHE 11 HA PHE 11 1.310 15.135 -1.198 96 HB2 PHE 11 2HB PHE 11 3.178 14.496 -2.343 97 HB3 PHE 11 1HB PHE 11 2.722 12.985 -1.590 98 HD1 PHE 11 1HD PHE 11 2.387 14.990 -4.623 99 HD2 PHE 11 2HD PHE 11 2.166 11.069 -2.948 100 HE1 PHE 11 1HE PHE 11 2.171 14.038 -6.919 101 HE2 PHE 11 2HE PHE 11 1.949 10.095 -5.224 102 HZ PHE 11 HZ PHE 11 1.950 11.581 -7.211 103 H GLU 12 H GLU 12 -0.147 13.192 -3.803 104 HA GLU 12 HA GLU 12 -0.059 15.073 -5.850 105 HB2 GLU 12 2HB GLU 12 -1.109 12.583 -5.586 106 HB3 GLU 12 1HB GLU 12 -2.571 13.567 -5.700 107 HG2 GLU 12 2HG GLU 12 -0.286 13.409 -7.656 108 HG3 GLU 12 1HG GLU 12 -1.986 13.082 -7.926 109 H SER 13 H SER 13 -2.028 14.974 -2.993 110 HA SER 13 HA SER 13 -3.728 17.161 -3.976 111 HB2 SER 13 2HB SER 13 -4.575 15.052 -2.680 112 HB3 SER 13 1HB SER 13 -3.978 15.906 -1.261 113 HG SER 13 HG SER 13 -6.149 16.432 -1.681 114 H ALA 14 H ALA 14 -0.767 16.947 -2.761 115 HA ALA 14 HA ALA 14 -1.040 19.225 -0.901 116 HB1 ALA 14 1HB ALA 14 0.193 16.920 -0.361 117 HB2 ALA 14 2HB ALA 14 0.822 18.458 0.224 118 HB3 ALA 14 3HB ALA 14 1.512 17.715 -1.226 119 H SER 15 H SER 15 0.858 20.726 -0.980 120 HA SER 15 HA SER 15 1.225 21.694 -3.643 121 HB2 SER 15 2HB SER 15 1.590 22.720 -1.060 122 HB3 SER 15 1HB SER 15 3.214 22.632 -1.734 123 HG SER 15 HG SER 15 1.432 23.529 -3.562 124 H ARG 16 H ARG 16 3.114 21.532 -4.927 125 HA ARG 16 HA ARG 16 4.424 19.121 -4.950 126 HB2 ARG 16 2HB ARG 16 4.784 21.682 -6.248 127 HB3 ARG 16 1HB ARG 16 6.352 20.976 -5.851 128 HG2 ARG 16 2HG ARG 16 5.787 20.099 -7.991 129 HG3 ARG 16 1HG ARG 16 5.460 18.796 -6.854 130 HD2 ARG 16 2HD ARG 16 3.065 19.563 -6.782 131 HD3 ARG 16 1HD ARG 16 3.443 20.696 -8.075 132 HE ARG 16 HE ARG 16 4.286 18.198 -8.960 133 HH11 ARG 16 1HH2 ARG 16 1.365 19.741 -7.931 134 HH12 ARG 16 2HH2 ARG 16 0.335 18.761 -8.921 135 HH21 ARG 16 1HH1 ARG 16 2.942 16.908 -10.262 136 HH22 ARG 16 2HH1 ARG 16 1.228 17.156 -10.240 137 H GLY 17 H GLY 17 4.780 21.737 -2.804 138 HA2 GLY 17 2HA GLY 17 7.419 21.440 -1.899 139 HA3 GLY 17 1HA GLY 17 6.078 22.054 -0.933 140 H CYS 18 H CYS 18 4.402 19.762 -0.966 141 HA CYS 18 HA CYS 18 5.663 18.197 1.092 142 HB2 CYS 18 2HB CYS 18 3.017 18.565 0.108 143 HB3 CYS 18 1HB CYS 18 3.384 16.841 -0.061 144 HG CYS 18 HG CYS 18 3.640 18.377 2.665 145 H LEU 19 H LEU 19 4.685 17.545 -2.289 146 HA LEU 19 HA LEU 19 5.619 14.927 -2.351 147 HB2 LEU 19 2HB LEU 19 4.362 16.061 -4.212 148 HB3 LEU 19 1HB LEU 19 5.865 16.871 -4.656 149 HG LEU 19 HG LEU 19 6.949 14.779 -5.138 150 HD11 LEU 19 1HD1 LEU 19 4.603 13.606 -3.662 151 HD12 LEU 19 2HD1 LEU 19 6.315 13.188 -3.576 152 HD13 LEU 19 3HD1 LEU 19 5.351 12.661 -4.952 153 HD21 LEU 19 3HD2 LEU 19 4.120 14.864 -6.219 154 HD22 LEU 19 1HD2 LEU 19 5.388 13.824 -6.868 155 HD23 LEU 19 2HD2 LEU 19 5.558 15.578 -6.948 156 H ARG 20 H ARG 20 7.348 17.949 -2.394 157 HA ARG 20 HA ARG 20 9.905 16.865 -3.111 158 HB2 ARG 20 2HB ARG 20 9.913 19.166 -3.365 159 HB3 ARG 20 1HB ARG 20 8.917 19.440 -1.944 160 HG2 ARG 20 2HG ARG 20 11.725 18.378 -1.722 161 HG3 ARG 20 1HG ARG 20 11.367 20.102 -1.774 162 HD2 ARG 20 2HD ARG 20 9.568 18.989 0.096 163 HD3 ARG 20 1HD ARG 20 11.143 18.291 0.452 164 HE ARG 20 HE ARG 20 11.756 20.899 0.201 165 HH11 ARG 20 1HH2 ARG 20 9.205 19.240 1.849 166 HH12 ARG 20 2HH2 ARG 20 9.067 20.420 3.110 167 HH21 ARG 20 1HH1 ARG 20 11.584 22.446 1.854 168 HH22 ARG 20 2HH1 ARG 20 10.415 22.234 3.113 169 H SER 21 H SER 21 8.006 17.263 -0.236 170 HA SER 21 HA SER 21 9.955 16.612 1.755 171 HB2 SER 21 2HB SER 21 8.128 16.646 3.211 172 HB3 SER 21 1HB SER 21 7.649 17.754 1.939 173 HG SER 21 HG SER 21 6.072 16.094 2.567 174 H LEU 22 H LEU 22 7.377 14.710 0.210 175 HA LEU 22 HA LEU 22 8.098 12.224 1.307 176 HB2 LEU 22 2HB LEU 22 6.375 13.218 -0.806 177 HB3 LEU 22 1HB LEU 22 7.179 11.723 -1.285 178 HG LEU 22 HG LEU 22 6.403 10.617 0.749 179 HD11 LEU 22 1HD1 LEU 22 5.468 11.693 2.512 180 HD12 LEU 22 2HD1 LEU 22 4.524 12.769 1.485 181 HD13 LEU 22 3HD1 LEU 22 6.213 13.138 1.831 182 HD21 LEU 22 3HD2 LEU 22 3.823 11.234 0.261 183 HD22 LEU 22 1HD2 LEU 22 4.792 10.208 -0.803 184 HD23 LEU 22 2HD2 LEU 22 4.579 11.925 -1.177 185 H SER 23 H SER 23 9.094 13.896 -1.649 186 HA SER 23 HA SER 23 10.712 11.882 -2.672 187 HB2 SER 23 2HB SER 23 10.421 13.365 -4.285 188 HB3 SER 23 1HB SER 23 10.374 14.737 -3.170 189 HG SER 23 HG SER 23 12.801 13.719 -3.037 190 H LEU 24 H LEU 24 11.339 14.189 -0.148 191 HA LEU 24 HA LEU 24 14.143 13.938 -0.078 192 HB2 LEU 24 2HB LEU 24 12.080 14.982 1.644 193 HB3 LEU 24 1HB LEU 24 13.262 14.070 2.580 194 HG LEU 24 HG LEU 24 13.827 16.501 2.250 195 HD11 LEU 24 1HD1 LEU 24 15.449 14.224 2.173 196 HD12 LEU 24 2HD1 LEU 24 15.971 15.869 2.535 197 HD13 LEU 24 3HD1 LEU 24 16.066 15.258 0.884 198 HD21 LEU 24 3HD2 LEU 24 14.850 15.996 -0.457 199 HD22 LEU 24 1HD2 LEU 24 14.031 17.420 0.185 200 HD23 LEU 24 2HD2 LEU 24 13.090 16.030 -0.355 201 H ILE 25 H ILE 25 11.496 11.884 0.965 202 HA ILE 25 HA ILE 25 13.496 9.830 1.719 203 HB ILE 25 HB ILE 25 12.070 10.822 3.631 204 HG12 ILE 25 2HG1 ILE 25 11.560 8.059 3.987 205 HG13 ILE 25 1HG1 ILE 25 12.975 8.154 2.977 206 HG21 ILE 25 1HG2 ILE 25 10.100 8.759 2.927 207 HG22 ILE 25 2HG2 ILE 25 10.004 10.222 1.936 208 HG23 ILE 25 3HG2 ILE 25 9.834 10.324 3.694 209 HD11 ILE 25 3HD1 ILE 25 13.865 8.234 5.162 210 HD12 ILE 25 1HD1 ILE 25 12.552 9.261 5.746 211 HD13 ILE 25 2HD1 ILE 25 13.804 9.934 4.695 212 H ILE 26 H ILE 26 11.950 10.302 -0.894 213 HA ILE 26 HA ILE 26 10.008 8.297 -1.144 214 HB ILE 26 HB ILE 26 11.577 10.042 -2.937 215 HG12 ILE 26 2HG1 ILE 26 9.223 10.469 -2.026 216 HG13 ILE 26 1HG1 ILE 26 9.422 10.621 -3.774 217 HG21 ILE 26 1HG2 ILE 26 10.441 7.442 -3.751 218 HG22 ILE 26 2HG2 ILE 26 12.016 8.098 -4.157 219 HG23 ILE 26 3HG2 ILE 26 10.556 8.757 -4.903 220 HD11 ILE 26 3HD1 ILE 26 7.560 9.044 -2.509 221 HD12 ILE 26 1HD1 ILE 26 8.831 7.910 -2.962 222 HD13 ILE 26 2HD1 ILE 26 8.067 8.917 -4.194 223 H LYS 27 H LYS 27 10.139 6.165 -1.563 224 HA LYS 27 HA LYS 27 12.837 5.072 -2.137 225 HB2 LYS 27 2HB LYS 27 10.757 3.488 -0.653 226 HB3 LYS 27 1HB LYS 27 12.504 3.267 -0.694 227 HG2 LYS 27 2HG LYS 27 11.161 5.701 0.508 228 HG3 LYS 27 1HG LYS 27 11.645 4.289 1.448 229 HD2 LYS 27 2HD LYS 27 13.877 4.988 -0.155 230 HD3 LYS 27 1HD LYS 27 13.270 6.490 0.542 231 HE2 LYS 27 2HE LYS 27 13.169 5.172 2.773 232 HE3 LYS 27 1HE LYS 27 14.225 4.011 1.968 233 HZ1 LYS 27 3HZ LYS 27 15.954 5.390 2.099 234 HZ2 LYS 27 1HZ LYS 27 15.046 6.248 3.247 235 HZ3 LYS 27 2HZ LYS 27 15.045 6.744 1.622 236 H THR 28 H THR 28 12.984 3.420 -3.642 237 HA THR 28 HA THR 28 10.511 2.889 -5.181 238 HB THR 28 HB THR 28 11.570 3.539 -7.047 239 HG1 THR 28 1HG THR 28 13.960 2.235 -6.377 240 HG21 THR 28 3HG2 THR 28 13.908 4.141 -5.213 241 HG22 THR 28 1HG2 THR 28 12.538 5.213 -5.500 242 HG23 THR 28 2HG2 THR 28 13.646 4.827 -6.817 243 H SER 29 H SER 29 9.922 0.828 -5.407 244 HA SER 29 HA SER 29 11.919 -1.295 -4.891 245 HB2 SER 29 2HB SER 29 9.703 -2.523 -4.057 246 HB3 SER 29 1HB SER 29 10.668 -1.529 -2.965 247 HG SER 29 HG SER 29 8.914 -0.400 -2.756 248 H PHE 30 H PHE 30 11.947 -2.940 -6.376 249 HA PHE 30 HA PHE 30 9.746 -3.010 -8.349 250 HB2 PHE 30 2HB PHE 30 11.728 -3.761 -9.926 251 HB3 PHE 30 1HB PHE 30 11.378 -2.052 -9.662 252 HD1 PHE 30 2HD PHE 30 12.758 -0.708 -8.105 253 HD2 PHE 30 1HD PHE 30 13.708 -4.797 -9.011 254 HE1 PHE 30 2HE PHE 30 15.030 -0.387 -7.164 255 HE2 PHE 30 1HE PHE 30 15.981 -4.477 -8.069 256 HZ PHE 30 HZ PHE 30 16.642 -2.273 -7.146 257 H CYS 31 H CYS 31 9.195 -5.007 -9.200 258 HA CYS 31 HA CYS 31 10.540 -7.364 -8.030 259 HB2 CYS 31 2HB CYS 31 7.554 -7.173 -8.421 260 HB3 CYS 31 1HB CYS 31 8.460 -8.426 -7.567 261 HG CYS 31 HG CYS 31 9.165 -6.103 -6.040 262 H ALA 32 H ALA 32 10.423 -9.277 -9.294 263 HA ALA 32 HA ALA 32 9.775 -8.777 -12.136 264 HB1 ALA 32 1HB ALA 32 11.572 -10.914 -12.019 265 HB2 ALA 32 2HB ALA 32 12.168 -9.761 -10.827 266 HB3 ALA 32 3HB ALA 32 11.940 -9.257 -12.503 267 HA PRO 33 HA PRO 33 7.114 -12.278 -12.401 268 HB2 PRO 33 2HB PRO 33 8.950 -13.682 -14.266 269 HB3 PRO 33 1HB PRO 33 7.265 -13.188 -14.504 270 HG2 PRO 33 2HG PRO 33 9.319 -11.928 -15.684 271 HG3 PRO 33 1HG PRO 33 7.833 -11.095 -15.200 272 HD2 PRO 33 2HD PRO 33 10.533 -11.007 -13.943 273 HD3 PRO 33 1HD PRO 33 9.258 -9.771 -13.980 274 H GLY 34 H GLY 34 6.925 -13.761 -10.805 275 HA2 GLY 34 2HA GLY 34 7.383 -15.585 -9.465 276 HA3 GLY 34 1HA GLY 34 8.712 -15.978 -10.551 277 H GLU 35 H GLU 35 9.059 -12.802 -9.658 278 HA GLU 35 HA GLU 35 11.343 -13.358 -8.036 279 HB2 GLU 35 2HB GLU 35 10.841 -11.358 -9.638 280 HB3 GLU 35 1HB GLU 35 10.120 -10.667 -8.202 281 HG2 GLU 35 2HG GLU 35 12.762 -11.845 -7.729 282 HG3 GLU 35 1HG GLU 35 12.742 -10.488 -8.840 283 H PHE 36 H PHE 36 11.530 -13.467 -5.886 284 HA PHE 36 HA PHE 36 9.120 -13.243 -4.267 285 HB2 PHE 36 2HB PHE 36 11.894 -13.974 -3.331 286 HB3 PHE 36 1HB PHE 36 10.355 -14.350 -2.556 287 HD1 PHE 36 2HD PHE 36 12.530 -15.087 -5.468 288 HD2 PHE 36 1HD PHE 36 8.992 -16.191 -3.296 289 HE1 PHE 36 2HE PHE 36 12.386 -17.193 -6.770 290 HE2 PHE 36 1HE PHE 36 8.850 -18.296 -4.597 291 HZ PHE 36 HZ PHE 36 10.547 -18.798 -6.334 292 H LEU 37 H LEU 37 8.554 -11.389 -3.330 293 HA LEU 37 HA LEU 37 10.583 -9.334 -2.884 294 HB2 LEU 37 2HB LEU 37 8.136 -9.040 -3.890 295 HB3 LEU 37 1HB LEU 37 7.743 -8.859 -2.180 296 HG LEU 37 HG LEU 37 9.509 -7.124 -1.976 297 HD11 LEU 37 1HD1 LEU 37 10.046 -6.237 -4.478 298 HD12 LEU 37 2HD1 LEU 37 9.954 -7.971 -4.788 299 HD13 LEU 37 3HD1 LEU 37 11.104 -7.344 -3.605 300 HD21 LEU 37 3HD2 LEU 37 7.537 -5.997 -2.278 301 HD22 LEU 37 1HD2 LEU 37 7.123 -6.907 -3.731 302 HD23 LEU 37 2HD2 LEU 37 8.270 -5.571 -3.824 303 H ILE 38 H ILE 38 8.255 -11.313 -0.956 304 HA ILE 38 HA ILE 38 9.887 -10.578 1.330 305 HB ILE 38 HB ILE 38 8.185 -9.954 2.732 306 HG12 ILE 38 2HG1 ILE 38 5.721 -10.227 1.871 307 HG13 ILE 38 1HG1 ILE 38 6.437 -11.528 0.926 308 HG21 ILE 38 1HG2 ILE 38 8.489 -8.176 1.219 309 HG22 ILE 38 2HG2 ILE 38 6.750 -8.329 1.473 310 HG23 ILE 38 3HG2 ILE 38 7.486 -8.948 -0.006 311 HD11 ILE 38 3HD1 ILE 38 7.054 -11.317 3.837 312 HD12 ILE 38 1HD1 ILE 38 7.071 -12.708 2.779 313 HD13 ILE 38 2HD1 ILE 38 5.540 -12.025 3.309 314 H ARG 39 H ARG 39 9.721 -11.985 3.107 315 HA ARG 39 HA ARG 39 8.736 -14.666 2.374 316 HB2 ARG 39 2HB ARG 39 11.132 -14.663 2.035 317 HB3 ARG 39 1HB ARG 39 11.372 -13.957 3.618 318 HG2 ARG 39 2HG ARG 39 11.786 -16.368 3.697 319 HG3 ARG 39 1HG ARG 39 10.381 -15.936 4.674 320 HD2 ARG 39 2HD ARG 39 8.925 -16.995 3.284 321 HD3 ARG 39 1HD ARG 39 9.806 -16.489 1.842 322 HE ARG 39 HE ARG 39 10.343 -18.890 3.457 323 HH11 ARG 39 1HH2 ARG 39 11.094 -16.813 0.790 324 HH12 ARG 39 2HH2 ARG 39 12.061 -17.993 -0.032 325 HH21 ARG 39 1HH1 ARG 39 11.611 -20.435 2.386 326 HH22 ARG 39 2HH1 ARG 39 12.353 -20.043 0.872 327 H GLN 40 H GLN 40 7.278 -15.281 3.748 328 HA GLN 40 HA GLN 40 5.986 -14.473 5.759 329 HB2 GLN 40 2HB GLN 40 5.835 -16.806 5.381 330 HB3 GLN 40 1HB GLN 40 7.512 -17.065 5.848 331 HG2 GLN 40 2HG GLN 40 7.055 -16.978 8.091 332 HG3 GLN 40 1HG GLN 40 5.765 -15.794 7.886 333 HE21 GLN 40 1HE2 GLN 40 3.713 -16.637 8.247 334 HE22 GLN 40 2HE2 GLN 40 3.279 -18.264 8.037 335 H GLY 41 H GLY 41 6.172 -13.338 7.570 336 HA2 GLY 41 2HA GLY 41 6.987 -12.721 9.662 337 HA3 GLY 41 1HA GLY 41 8.379 -13.756 9.399 338 H ASP 42 H ASP 42 7.932 -11.764 6.708 339 HA ASP 42 HA ASP 42 10.345 -10.352 7.178 340 HB2 ASP 42 2HB ASP 42 8.131 -10.035 5.180 341 HB3 ASP 42 1HB ASP 42 9.431 -8.850 5.277 342 H ALA 43 H ALA 43 10.649 -8.071 7.419 343 HA ALA 43 HA ALA 43 8.859 -6.942 9.410 344 HB1 ALA 43 1HB ALA 43 11.600 -6.399 8.402 345 HB2 ALA 43 2HB ALA 43 11.001 -6.466 10.061 346 HB3 ALA 43 3HB ALA 43 10.710 -5.033 9.075 347 H LEU 44 H LEU 44 7.273 -5.557 8.973 348 HA LEU 44 HA LEU 44 7.154 -4.318 6.312 349 HB2 LEU 44 2HB LEU 44 5.214 -5.654 7.435 350 HB3 LEU 44 1HB LEU 44 4.961 -4.169 8.354 351 HG LEU 44 HG LEU 44 5.322 -3.367 5.670 352 HD11 LEU 44 1HD1 LEU 44 4.842 -5.771 5.106 353 HD12 LEU 44 2HD1 LEU 44 3.658 -4.637 4.453 354 HD13 LEU 44 3HD1 LEU 44 3.272 -5.587 5.888 355 HD21 LEU 44 3HD2 LEU 44 3.883 -2.382 7.478 356 HD22 LEU 44 1HD2 LEU 44 2.733 -3.690 7.204 357 HD23 LEU 44 2HD2 LEU 44 3.071 -2.528 5.921 358 H GLN 45 H GLN 45 8.085 -2.373 6.195 359 HA GLN 45 HA GLN 45 7.606 -0.474 8.413 360 HB2 GLN 45 2HB GLN 45 10.112 -0.824 6.752 361 HB3 GLN 45 1HB GLN 45 9.832 0.520 7.859 362 HG2 GLN 45 2HG GLN 45 10.168 -0.763 9.709 363 HG3 GLN 45 1HG GLN 45 9.352 -2.159 9.009 364 HE21 GLN 45 1HE2 GLN 45 12.227 -1.541 10.258 365 HE22 GLN 45 2HE2 GLN 45 13.252 -2.372 9.191 366 H ALA 46 H ALA 46 7.743 -1.075 4.993 367 HA ALA 46 HA ALA 46 6.777 1.678 4.503 368 HB1 ALA 46 1HB ALA 46 8.519 -0.069 2.757 369 HB2 ALA 46 2HB ALA 46 8.988 1.438 3.543 370 HB3 ALA 46 3HB ALA 46 7.805 1.453 2.233 371 H ILE 47 H ILE 47 5.435 1.895 2.575 372 HA ILE 47 HA ILE 47 3.775 -0.511 2.081 373 HB ILE 47 HB ILE 47 2.357 1.019 3.203 374 HG12 ILE 47 2HG1 ILE 47 1.892 1.831 0.338 375 HG13 ILE 47 1HG1 ILE 47 1.644 0.161 0.849 376 HG21 ILE 47 1HG2 ILE 47 3.236 3.251 1.367 377 HG22 ILE 47 2HG2 ILE 47 4.055 2.931 2.897 378 HG23 ILE 47 3HG2 ILE 47 2.346 3.373 2.887 379 HD11 ILE 47 3HD1 ILE 47 -0.220 2.207 1.058 380 HD12 ILE 47 1HD1 ILE 47 0.438 2.091 2.690 381 HD13 ILE 47 2HD1 ILE 47 -0.278 0.672 1.924 382 H TYR 48 H TYR 48 3.262 -0.978 -0.082 383 HA TYR 48 HA TYR 48 4.707 0.700 -2.045 384 HB2 TYR 48 2HB TYR 48 4.063 -2.149 -2.678 385 HB3 TYR 48 1HB TYR 48 5.377 -1.139 -3.253 386 HD1 TYR 48 1HD TYR 48 4.206 -2.268 0.177 387 HD2 TYR 48 2HD TYR 48 7.443 -1.890 -2.624 388 HE1 TYR 48 1HE TYR 48 5.749 -3.270 1.825 389 HE2 TYR 48 2HE TYR 48 8.986 -2.894 -0.968 390 HH TYR 48 HH TYR 48 8.492 -3.057 2.143 391 H PHE 49 H PHE 49 3.889 0.892 -4.129 392 HA PHE 49 HA PHE 49 1.011 0.308 -4.499 393 HB2 PHE 49 2HB PHE 49 2.074 2.874 -4.253 394 HB3 PHE 49 1HB PHE 49 2.003 2.610 -5.994 395 HD1 PHE 49 1HD PHE 49 -0.279 1.639 -6.957 396 HD2 PHE 49 2HD PHE 49 0.162 3.540 -3.109 397 HE1 PHE 49 1HE PHE 49 -2.704 2.123 -6.900 398 HE2 PHE 49 2HE PHE 49 -2.270 4.006 -3.068 399 HZ PHE 49 HZ PHE 49 -3.702 3.298 -4.962 400 H VAL 50 H VAL 50 0.597 -0.668 -6.429 401 HA VAL 50 HA VAL 50 2.864 -1.060 -8.228 402 HB VAL 50 HB VAL 50 0.724 -2.665 -7.199 403 HG11 VAL 50 1HG1 VAL 50 -0.258 -2.081 -9.364 404 HG12 VAL 50 2HG1 VAL 50 0.084 -3.799 -9.241 405 HG13 VAL 50 3HG1 VAL 50 1.140 -2.745 -10.190 406 HG21 VAL 50 3HG2 VAL 50 2.201 -4.483 -8.031 407 HG22 VAL 50 1HG2 VAL 50 3.088 -3.271 -7.106 408 HG23 VAL 50 2HG2 VAL 50 3.180 -3.277 -8.868 409 H CYS 51 H CYS 51 2.882 -0.189 -10.225 410 HA CYS 51 HA CYS 51 0.518 1.394 -10.982 411 HB2 CYS 51 2HB CYS 51 2.448 2.762 -10.940 412 HB3 CYS 51 1HB CYS 51 3.432 1.541 -11.746 413 HG CYS 51 HG CYS 51 1.522 2.029 -13.790 414 H SER 52 H SER 52 2.534 -1.265 -11.983 415 HA SER 52 HA SER 52 0.596 -2.158 -13.892 416 HB2 SER 52 2HB SER 52 1.396 -1.270 -15.787 417 HB3 SER 52 1HB SER 52 2.574 -0.357 -14.849 418 HG SER 52 HG SER 52 2.852 -3.033 -15.773 419 H GLY 53 H GLY 53 0.892 -4.301 -14.415 420 HA2 GLY 53 2HA GLY 53 2.520 -6.159 -14.721 421 HA3 GLY 53 1HA GLY 53 3.270 -5.605 -13.226 422 H SER 54 H SER 54 2.901 -7.806 -12.420 423 HA SER 54 HA SER 54 0.281 -7.975 -11.123 424 HB2 SER 54 2HB SER 54 0.909 -10.597 -12.121 425 HB3 SER 54 1HB SER 54 -0.550 -9.641 -12.359 426 HG SER 54 HG SER 54 0.296 -8.783 -14.168 427 H MET 55 H MET 55 0.372 -8.901 -9.128 428 HA MET 55 HA MET 55 2.645 -10.585 -8.434 429 HB2 MET 55 2HB MET 55 2.849 -9.010 -6.297 430 HB3 MET 55 1HB MET 55 3.776 -8.704 -7.764 431 HG2 MET 55 2HG MET 55 2.621 -6.827 -8.259 432 HG3 MET 55 1HG MET 55 1.077 -7.530 -7.780 433 HE1 MET 55 3HE MET 55 4.444 -7.160 -6.375 434 HE2 MET 55 1HE MET 55 3.880 -7.776 -4.817 435 HE3 MET 55 2HE MET 55 4.351 -6.089 -4.981 436 H GLU 56 H GLU 56 2.469 -11.486 -6.245 437 HA GLU 56 HA GLU 56 -0.008 -11.280 -4.816 438 HB2 GLU 56 2HB GLU 56 -0.589 -13.725 -5.235 439 HB3 GLU 56 1HB GLU 56 -0.947 -12.598 -6.541 440 HG2 GLU 56 2HG GLU 56 0.164 -14.636 -7.399 441 HG3 GLU 56 1HG GLU 56 1.159 -13.206 -7.669 442 H VAL 57 H VAL 57 -0.046 -12.605 -2.899 443 HA VAL 57 HA VAL 57 2.660 -13.416 -2.048 444 HB VAL 57 HB VAL 57 1.883 -13.221 0.208 445 HG11 VAL 57 1HG1 VAL 57 1.814 -11.090 -1.632 446 HG12 VAL 57 2HG1 VAL 57 1.975 -10.970 0.120 447 HG13 VAL 57 3HG1 VAL 57 0.380 -10.884 -0.626 448 HG21 VAL 57 3HG2 VAL 57 -0.547 -12.623 0.618 449 HG22 VAL 57 1HG2 VAL 57 -0.275 -14.263 0.030 450 HG23 VAL 57 2HG2 VAL 57 -0.840 -13.017 -1.073 451 H LEU 58 H LEU 58 3.135 -15.529 -1.679 452 HA LEU 58 HA LEU 58 1.014 -17.507 -2.165 453 HB2 LEU 58 2HB LEU 58 3.438 -17.240 -3.370 454 HB3 LEU 58 1HB LEU 58 3.817 -18.401 -2.098 455 HG LEU 58 HG LEU 58 3.093 -19.601 -4.096 456 HD11 LEU 58 1HD1 LEU 58 1.529 -21.020 -3.063 457 HD12 LEU 58 2HD1 LEU 58 0.725 -19.687 -2.235 458 HD13 LEU 58 3HD1 LEU 58 2.311 -20.236 -1.690 459 HD21 LEU 58 3HD2 LEU 58 1.394 -18.890 -5.414 460 HD22 LEU 58 1HD2 LEU 58 1.440 -17.401 -4.473 461 HD23 LEU 58 2HD2 LEU 58 0.310 -18.683 -4.038 462 H LYS 59 H LYS 59 0.270 -18.671 -0.550 463 HA LYS 59 HA LYS 59 1.990 -19.685 1.498 464 HB2 LYS 59 2HB LYS 59 1.742 -17.566 2.503 465 HB3 LYS 59 1HB LYS 59 0.037 -17.499 2.131 466 HG2 LYS 59 2HG LYS 59 0.319 -18.015 4.501 467 HG3 LYS 59 1HG LYS 59 -0.358 -19.413 3.676 468 HD2 LYS 59 2HD LYS 59 1.381 -20.208 5.143 469 HD3 LYS 59 1HD LYS 59 1.990 -20.343 3.501 470 HE2 LYS 59 2HE LYS 59 3.646 -19.361 5.112 471 HE3 LYS 59 1HE LYS 59 3.285 -18.298 3.751 472 HZ1 LYS 59 3HZ LYS 59 3.256 -17.249 6.025 473 HZ2 LYS 59 1HZ LYS 59 1.844 -18.137 6.338 474 HZ3 LYS 59 2HZ LYS 59 1.867 -16.995 5.080 475 H ASP 60 H ASP 60 1.103 -21.428 2.576 476 HA ASP 60 HA ASP 60 -0.278 -23.229 2.888 477 HB2 ASP 60 2HB ASP 60 -1.832 -20.980 3.367 478 HB3 ASP 60 1HB ASP 60 -2.800 -21.937 2.251 479 H ASN 61 H ASN 61 0.836 -22.993 0.357 480 HA ASN 61 HA ASN 61 0.690 -24.003 -1.695 481 HB2 ASN 61 2HB ASN 61 -2.049 -25.031 -1.291 482 HB3 ASN 61 1HB ASN 61 -0.593 -25.869 -1.825 483 HD21 ASN 61 1HD2 ASN 61 1.162 -25.392 0.319 484 HD22 ASN 61 2HD2 ASN 61 0.533 -26.095 1.730 485 H THR 62 H THR 62 -1.487 -21.643 -0.651 486 HA THR 62 HA THR 62 -2.290 -21.167 -3.456 487 HB THR 62 HB THR 62 -4.059 -20.518 -1.120 488 HG1 THR 62 1HG THR 62 -4.348 -22.693 -2.898 489 HG21 THR 62 3HG2 THR 62 -4.489 -20.686 -4.118 490 HG22 THR 62 1HG2 THR 62 -4.492 -19.204 -3.151 491 HG23 THR 62 2HG2 THR 62 -5.773 -20.407 -2.945 492 H VAL 63 H VAL 63 -2.840 -18.974 -3.936 493 HA VAL 63 HA VAL 63 -0.955 -17.129 -2.858 494 HB VAL 63 HB VAL 63 -2.826 -15.664 -4.282 495 HG11 VAL 63 1HG1 VAL 63 -0.506 -17.200 -5.463 496 HG12 VAL 63 2HG1 VAL 63 -0.302 -15.756 -4.472 497 HG13 VAL 63 3HG1 VAL 63 -1.160 -15.661 -6.011 498 HG21 VAL 63 3HG2 VAL 63 -3.986 -17.833 -4.767 499 HG22 VAL 63 1HG2 VAL 63 -2.497 -18.415 -5.506 500 HG23 VAL 63 2HG2 VAL 63 -3.364 -17.057 -6.224 501 H LEU 64 H LEU 64 -1.215 -16.173 -0.910 502 HA LEU 64 HA LEU 64 -3.773 -16.130 0.390 503 HB2 LEU 64 2HB LEU 64 -1.101 -15.895 1.204 504 HB3 LEU 64 1HB LEU 64 -1.827 -14.332 1.572 505 HG LEU 64 HG LEU 64 -3.791 -15.839 2.529 506 HD11 LEU 64 1HD1 LEU 64 -1.650 -17.652 3.426 507 HD12 LEU 64 2HD1 LEU 64 -2.064 -17.830 1.718 508 HD13 LEU 64 3HD1 LEU 64 -3.308 -18.023 2.952 509 HD21 LEU 64 3HD2 LEU 64 -1.269 -14.805 3.654 510 HD22 LEU 64 1HD2 LEU 64 -2.051 -16.040 4.643 511 HD23 LEU 64 2HD2 LEU 64 -2.927 -14.573 4.208 512 H ALA 65 H ALA 65 -2.240 -14.177 -1.884 513 HA ALA 65 HA ALA 65 -4.363 -12.189 -1.638 514 HB1 ALA 65 1HB ALA 65 -3.043 -10.313 -1.285 515 HB2 ALA 65 2HB ALA 65 -1.579 -11.105 -1.868 516 HB3 ALA 65 3HB ALA 65 -2.220 -11.499 -0.272 517 H ILE 66 H ILE 66 -5.015 -11.505 -3.588 518 HA ILE 66 HA ILE 66 -3.277 -12.100 -5.900 519 HB ILE 66 HB ILE 66 -6.239 -12.025 -6.180 520 HG12 ILE 66 2HG1 ILE 66 -5.256 -13.658 -4.237 521 HG13 ILE 66 1HG1 ILE 66 -6.621 -14.058 -5.247 522 HG21 ILE 66 1HG2 ILE 66 -3.951 -13.491 -7.514 523 HG22 ILE 66 2HG2 ILE 66 -4.929 -12.190 -8.193 524 HG23 ILE 66 3HG2 ILE 66 -5.648 -13.773 -7.902 525 HD11 ILE 66 3HD1 ILE 66 -5.305 -15.408 -6.695 526 HD12 ILE 66 1HD1 ILE 66 -4.824 -15.850 -5.053 527 HD13 ILE 66 2HD1 ILE 66 -3.802 -14.778 -6.021 528 H LEU 67 H LEU 67 -2.503 -10.026 -6.447 529 HA LEU 67 HA LEU 67 -4.598 -8.021 -6.951 530 HB2 LEU 67 2HB LEU 67 -2.534 -6.425 -6.205 531 HB3 LEU 67 1HB LEU 67 -3.875 -6.881 -5.158 532 HG LEU 67 HG LEU 67 -2.488 -8.909 -4.485 533 HD11 LEU 67 1HD1 LEU 67 -0.997 -8.253 -6.630 534 HD12 LEU 67 2HD1 LEU 67 -0.348 -9.163 -5.261 535 HD13 LEU 67 3HD1 LEU 67 -0.077 -7.424 -5.374 536 HD21 LEU 67 3HD2 LEU 67 -1.453 -7.709 -2.766 537 HD22 LEU 67 1HD2 LEU 67 -2.662 -6.548 -3.313 538 HD23 LEU 67 2HD2 LEU 67 -0.986 -6.387 -3.837 539 H GLY 68 H GLY 68 -3.946 -6.243 -8.361 540 HA2 GLY 68 2HA GLY 68 -1.758 -6.949 -10.207 541 HA3 GLY 68 1HA GLY 68 -3.366 -6.618 -10.839 542 H LYS 69 H LYS 69 -2.576 -4.873 -12.054 543 HA LYS 69 HA LYS 69 -1.024 -2.753 -11.272 544 HB2 LYS 69 2HB LYS 69 -3.399 -2.483 -13.096 545 HB3 LYS 69 1HB LYS 69 -1.862 -1.635 -13.161 546 HG2 LYS 69 2HG LYS 69 -0.774 -3.934 -13.486 547 HG3 LYS 69 1HG LYS 69 -2.404 -4.530 -13.798 548 HD2 LYS 69 2HD LYS 69 -2.241 -2.237 -15.364 549 HD3 LYS 69 1HD LYS 69 -0.642 -2.965 -15.527 550 HE2 LYS 69 2HE LYS 69 -1.870 -5.180 -15.953 551 HE3 LYS 69 1HE LYS 69 -3.325 -4.205 -16.155 552 HZ1 LYS 69 3HZ LYS 69 -1.926 -4.738 -18.213 553 HZ2 LYS 69 1HZ LYS 69 -0.852 -3.561 -17.630 554 HZ3 LYS 69 2HZ LYS 69 -2.455 -3.137 -18.000 555 H GLY 70 H GLY 70 -1.239 -1.041 -10.010 556 HA2 GLY 70 2HA GLY 70 -2.225 0.772 -8.960 557 HA3 GLY 70 1HA GLY 70 -3.793 0.191 -9.470 558 H ASP 71 H ASP 71 -2.608 -2.493 -8.204 559 HA ASP 71 HA ASP 71 -4.169 -2.429 -5.886 560 HB2 ASP 71 2HB ASP 71 -3.249 -4.534 -5.356 561 HB3 ASP 71 1HB ASP 71 -3.226 -4.458 -7.118 562 H LEU 72 H LEU 72 -3.331 -2.785 -3.639 563 HA LEU 72 HA LEU 72 -0.942 -1.140 -3.084 564 HB2 LEU 72 2HB LEU 72 -3.211 0.036 -2.713 565 HB3 LEU 72 1HB LEU 72 -3.389 -1.050 -1.333 566 HG LEU 72 HG LEU 72 -1.075 -0.272 -0.592 567 HD11 LEU 72 1HD1 LEU 72 0.073 1.038 -2.009 568 HD12 LEU 72 2HD1 LEU 72 -1.149 2.292 -1.795 569 HD13 LEU 72 3HD1 LEU 72 -1.311 1.115 -3.100 570 HD21 LEU 72 3HD2 LEU 72 -2.131 2.134 -0.029 571 HD22 LEU 72 1HD2 LEU 72 -2.702 0.660 0.753 572 HD23 LEU 72 2HD2 LEU 72 -3.591 1.335 -0.612 573 H ILE 73 H ILE 73 0.372 -1.882 -1.483 574 HA ILE 73 HA ILE 73 -0.465 -4.349 -0.120 575 HB ILE 73 HB ILE 73 1.254 -4.930 -1.656 576 HG12 ILE 73 2HG1 ILE 73 3.083 -5.612 -0.180 577 HG13 ILE 73 1HG1 ILE 73 2.566 -4.442 1.032 578 HG21 ILE 73 1HG2 ILE 73 2.260 -2.341 -0.795 579 HG22 ILE 73 2HG2 ILE 73 2.189 -3.057 -2.402 580 HG23 ILE 73 3HG2 ILE 73 3.444 -3.563 -1.264 581 HD11 ILE 73 3HD1 ILE 73 0.744 -6.637 0.034 582 HD12 ILE 73 1HD1 ILE 73 0.549 -5.636 1.473 583 HD13 ILE 73 2HD1 ILE 73 1.819 -6.859 1.414 584 H GLY 74 H GLY 74 -0.588 -4.282 1.999 585 HA2 GLY 74 2HA GLY 74 0.958 -3.649 3.988 586 HA3 GLY 74 1HA GLY 74 0.608 -2.012 3.440 587 H SER 75 H SER 75 -0.095 -3.352 5.994 588 HA SER 75 HA SER 75 -2.934 -3.833 5.928 589 HB2 SER 75 2HB SER 75 -2.114 -3.283 8.576 590 HB3 SER 75 1HB SER 75 -2.403 -4.858 7.844 591 HG SER 75 HG SER 75 -0.319 -4.966 8.392 592 H ASP 76 H ASP 76 -4.530 -2.581 7.031 593 HA ASP 76 HA ASP 76 -4.225 0.257 6.576 594 HB2 ASP 76 2HB ASP 76 -6.333 -1.284 6.243 595 HB3 ASP 76 1HB ASP 76 -6.603 -0.934 7.949 596 H SER 77 H SER 77 -5.676 1.456 8.522 597 HA SER 77 HA SER 77 -5.611 2.280 10.672 598 HB2 SER 77 2HB SER 77 -5.304 0.811 12.433 599 HB3 SER 77 1HB SER 77 -5.676 -0.318 11.134 600 HG SER 77 HG SER 77 -3.456 -0.117 12.599 601 H LEU 78 H LEU 78 -3.638 2.953 8.748 602 HA LEU 78 HA LEU 78 -0.991 2.836 9.590 603 HB2 LEU 78 2HB LEU 78 -2.536 4.348 7.685 604 HB3 LEU 78 1HB LEU 78 -1.379 5.408 8.487 605 HG LEU 78 HG LEU 78 0.368 3.581 8.038 606 HD11 LEU 78 1HD1 LEU 78 -2.010 2.365 6.909 607 HD12 LEU 78 2HD1 LEU 78 -0.417 1.657 7.169 608 HD13 LEU 78 3HD1 LEU 78 -0.757 2.535 5.680 609 HD21 LEU 78 3HD2 LEU 78 0.775 5.364 6.671 610 HD22 LEU 78 1HD2 LEU 78 -0.900 5.470 6.125 611 HD23 LEU 78 2HD2 LEU 78 0.192 4.272 5.418 612 H THR 79 H THR 79 -3.603 4.285 11.154 613 HA THR 79 HA THR 79 -2.096 6.416 12.427 614 HB THR 79 HB THR 79 -4.692 5.571 13.570 615 HG1 THR 79 1HG THR 79 -5.364 6.947 11.492 616 HG21 THR 79 3HG2 THR 79 -5.021 7.900 13.757 617 HG22 THR 79 1HG2 THR 79 -3.881 8.254 12.460 618 HG23 THR 79 2HG2 THR 79 -3.289 7.697 14.026 619 H LYS 80 H LYS 80 -2.773 3.086 12.980 620 HA LYS 80 HA LYS 80 -2.300 3.174 15.839 621 HB2 LYS 80 2HB LYS 80 -3.811 1.497 14.730 622 HB3 LYS 80 1HB LYS 80 -2.376 0.759 14.020 623 HG2 LYS 80 2HG LYS 80 -1.454 0.333 16.248 624 HG3 LYS 80 1HG LYS 80 -2.831 1.147 16.994 625 HD2 LYS 80 2HD LYS 80 -4.262 -0.603 16.591 626 HD3 LYS 80 1HD LYS 80 -3.450 -1.062 15.094 627 HE2 LYS 80 2HE LYS 80 -1.938 -2.412 16.168 628 HE3 LYS 80 1HE LYS 80 -1.879 -1.383 17.599 629 HZ1 LYS 80 3HZ LYS 80 -3.975 -2.228 18.319 630 HZ2 LYS 80 1HZ LYS 80 -2.977 -3.554 17.969 631 HZ3 LYS 80 2HZ LYS 80 -4.193 -3.096 16.875 632 H GLU 81 H GLU 81 -0.392 3.221 13.068 633 HA GLU 81 HA GLU 81 1.784 2.357 12.652 634 HB2 GLU 81 2HB GLU 81 1.982 4.375 14.898 635 HB3 GLU 81 1HB GLU 81 3.336 3.863 13.888 636 HG2 GLU 81 2HG GLU 81 1.763 4.511 11.900 637 HG3 GLU 81 1HG GLU 81 0.900 5.450 13.118 638 H GLN 82 H GLN 82 1.924 0.197 13.231 639 HA GLN 82 HA GLN 82 3.273 -0.292 15.792 640 HB2 GLN 82 2HB GLN 82 0.608 -0.996 15.379 641 HB3 GLN 82 1HB GLN 82 1.514 -2.478 15.095 642 HG2 GLN 82 2HG GLN 82 0.889 -2.233 17.471 643 HG3 GLN 82 1HG GLN 82 2.628 -2.279 17.224 644 HE21 GLN 82 1HE2 GLN 82 3.827 -0.522 18.034 645 HE22 GLN 82 2HE2 GLN 82 3.135 0.912 18.621 646 H VAL 83 H VAL 83 4.117 -2.630 15.821 647 HA VAL 83 HA VAL 83 5.742 -2.964 13.474 648 HB VAL 83 HB VAL 83 6.957 -4.515 14.706 649 HG11 VAL 83 1HG1 VAL 83 5.535 -2.723 16.689 650 HG12 VAL 83 2HG1 VAL 83 7.074 -2.416 15.884 651 HG13 VAL 83 3HG1 VAL 83 6.950 -3.694 17.094 652 HG21 VAL 83 3HG2 VAL 83 5.344 -6.202 15.135 653 HG22 VAL 83 1HG2 VAL 83 4.325 -5.106 16.068 654 HG23 VAL 83 2HG2 VAL 83 5.856 -5.668 16.736 655 H ILE 84 H ILE 84 5.035 -3.933 11.677 656 HA ILE 84 HA ILE 84 3.229 -6.252 11.986 657 HB ILE 84 HB ILE 84 3.143 -4.082 9.879 658 HG12 ILE 84 2HG1 ILE 84 0.921 -4.985 11.711 659 HG13 ILE 84 1HG1 ILE 84 2.094 -3.778 12.238 660 HG21 ILE 84 1HG2 ILE 84 2.056 -6.850 9.982 661 HG22 ILE 84 2HG2 ILE 84 2.511 -5.871 8.587 662 HG23 ILE 84 3HG2 ILE 84 0.967 -5.594 9.393 663 HD11 ILE 84 3HD1 ILE 84 -0.147 -3.044 11.019 664 HD12 ILE 84 1HD1 ILE 84 0.786 -3.417 9.569 665 HD13 ILE 84 2HD1 ILE 84 1.370 -2.199 10.703 666 H LYS 85 H LYS 85 3.823 -8.063 10.934 667 HA LYS 85 HA LYS 85 5.960 -7.828 8.917 668 HB2 LYS 85 2HB LYS 85 6.567 -10.222 9.944 669 HB3 LYS 85 1HB LYS 85 7.256 -8.731 10.573 670 HG2 LYS 85 2HG LYS 85 5.739 -8.656 12.387 671 HG3 LYS 85 1HG LYS 85 4.683 -9.851 11.645 672 HD2 LYS 85 2HD LYS 85 5.962 -10.931 13.417 673 HD3 LYS 85 1HD LYS 85 6.508 -11.542 11.856 674 HE2 LYS 85 2HE LYS 85 8.239 -10.703 13.705 675 HE3 LYS 85 1HE LYS 85 8.532 -10.481 11.980 676 HZ1 LYS 85 3HZ LYS 85 7.372 -8.495 13.855 677 HZ2 LYS 85 1HZ LYS 85 7.476 -8.275 12.178 678 HZ3 LYS 85 2HZ LYS 85 8.893 -8.416 13.103 679 H THR 86 H THR 86 5.605 -8.902 7.085 680 HA THR 86 HA THR 86 3.074 -10.142 6.635 681 HB THR 86 HB THR 86 5.525 -10.218 4.860 682 HG1 THR 86 1HG THR 86 3.819 -8.456 4.025 683 HG21 THR 86 3HG2 THR 86 2.580 -10.408 4.204 684 HG22 THR 86 1HG2 THR 86 3.649 -11.800 4.327 685 HG23 THR 86 2HG2 THR 86 3.919 -10.584 3.076 686 H ASN 87 H ASN 87 2.510 -12.094 7.262 687 HA ASN 87 HA ASN 87 4.443 -14.057 8.097 688 HB2 ASN 87 2HB ASN 87 1.942 -13.485 8.902 689 HB3 ASN 87 1HB ASN 87 1.597 -14.818 7.798 690 HD21 ASN 87 1HD2 ASN 87 1.349 -16.635 9.121 691 HD22 ASN 87 2HD2 ASN 87 2.443 -17.100 10.332 692 H ALA 88 H ALA 88 2.723 -13.422 5.169 693 HA ALA 88 HA ALA 88 3.128 -16.146 4.162 694 HB1 ALA 88 1HB ALA 88 1.430 -13.855 3.420 695 HB2 ALA 88 2HB ALA 88 1.135 -15.585 3.217 696 HB3 ALA 88 3HB ALA 88 2.134 -14.711 2.046 697 H ASN 89 H ASN 89 3.680 -15.764 1.534 698 HA ASN 89 HA ASN 89 6.290 -14.358 1.586 699 HB2 ASN 89 2HB ASN 89 5.434 -16.905 0.206 700 HB3 ASN 89 1HB ASN 89 6.869 -16.008 -0.288 701 HD21 ASN 89 1HD2 ASN 89 8.166 -17.920 0.436 702 HD22 ASN 89 2HD2 ASN 89 8.478 -18.136 2.089 703 H VAL 90 H VAL 90 6.670 -12.872 -0.105 704 HA VAL 90 HA VAL 90 4.393 -12.412 -1.857 705 HB VAL 90 HB VAL 90 6.659 -10.729 -0.924 706 HG11 VAL 90 1HG1 VAL 90 6.523 -10.336 -3.210 707 HG12 VAL 90 2HG1 VAL 90 5.640 -9.001 -2.465 708 HG13 VAL 90 3HG1 VAL 90 4.766 -10.339 -3.217 709 HG21 VAL 90 3HG2 VAL 90 4.403 -11.023 0.347 710 HG22 VAL 90 1HG2 VAL 90 3.728 -10.053 -0.962 711 HG23 VAL 90 2HG2 VAL 90 4.996 -9.383 0.067 712 H LYS 91 H LYS 91 4.524 -12.790 -3.963 713 HA LYS 91 HA LYS 91 7.170 -12.968 -5.206 714 HB2 LYS 91 2HB LYS 91 6.496 -15.271 -4.568 715 HB3 LYS 91 1HB LYS 91 5.040 -15.084 -5.547 716 HG2 LYS 91 2HG LYS 91 6.295 -14.898 -7.564 717 HG3 LYS 91 1HG LYS 91 7.807 -14.664 -6.687 718 HD2 LYS 91 2HD LYS 91 7.964 -16.913 -7.280 719 HD3 LYS 91 1HD LYS 91 7.253 -17.024 -5.669 720 HE2 LYS 91 2HE LYS 91 4.981 -17.067 -6.750 721 HE3 LYS 91 1HE LYS 91 5.783 -17.156 -8.317 722 HZ1 LYS 91 3HZ LYS 91 5.117 -19.283 -6.818 723 HZ2 LYS 91 1HZ LYS 91 6.740 -19.062 -6.375 724 HZ3 LYS 91 2HZ LYS 91 6.329 -19.286 -8.009 725 H ALA 92 H ALA 92 7.167 -11.630 -6.877 726 HA ALA 92 HA ALA 92 4.765 -10.591 -8.021 727 HB1 ALA 92 1HB ALA 92 7.690 -10.264 -8.480 728 HB2 ALA 92 2HB ALA 92 6.449 -9.040 -8.213 729 HB3 ALA 92 3HB ALA 92 6.601 -9.812 -9.791 730 H LEU 93 H LEU 93 3.531 -11.586 -9.474 731 HA LEU 93 HA LEU 93 4.329 -14.022 -10.740 732 HB2 LEU 93 2HB LEU 93 1.908 -12.421 -10.472 733 HB3 LEU 93 1HB LEU 93 2.076 -13.114 -12.085 734 HG LEU 93 HG LEU 93 2.235 -15.335 -11.216 735 HD11 LEU 93 1HD1 LEU 93 1.944 -15.296 -8.495 736 HD12 LEU 93 2HD1 LEU 93 2.972 -13.885 -8.751 737 HD13 LEU 93 3HD1 LEU 93 3.492 -15.472 -9.320 738 HD21 LEU 93 3HD2 LEU 93 -0.050 -14.569 -11.276 739 HD22 LEU 93 1HD2 LEU 93 0.145 -13.703 -9.749 740 HD23 LEU 93 2HD2 LEU 93 0.155 -15.467 -9.773 741 H THR 94 H THR 94 3.702 -10.729 -11.895 742 HA THR 94 HA THR 94 5.357 -11.329 -14.267 743 HB THR 94 HB THR 94 3.325 -9.260 -14.674 744 HG1 THR 94 1HG THR 94 1.726 -11.026 -14.969 745 HG21 THR 94 3HG2 THR 94 3.054 -10.474 -16.780 746 HG22 THR 94 1HG2 THR 94 3.997 -11.822 -16.146 747 HG23 THR 94 2HG2 THR 94 4.770 -10.262 -16.430 748 H TYR 95 H TYR 95 6.675 -9.619 -14.984 749 HA TYR 95 HA TYR 95 7.887 -8.036 -13.104 750 HB2 TYR 95 2HB TYR 95 7.995 -6.495 -15.442 751 HB3 TYR 95 1HB TYR 95 9.173 -7.694 -14.910 752 HD1 TYR 95 2HD TYR 95 5.826 -7.508 -16.596 753 HD2 TYR 95 1HD TYR 95 9.618 -9.503 -16.312 754 HE1 TYR 95 2HE TYR 95 5.209 -8.951 -18.515 755 HE2 TYR 95 1HE TYR 95 9.003 -10.946 -18.232 756 HH TYR 95 HH TYR 95 7.440 -10.810 -20.206 757 H CYS 96 H CYS 96 7.244 -6.400 -11.892 758 HA CYS 96 HA CYS 96 5.301 -4.486 -12.979 759 HB2 CYS 96 2HB CYS 96 3.787 -4.698 -11.235 760 HB3 CYS 96 1HB CYS 96 4.292 -6.371 -11.458 761 HG CYS 96 HG CYS 96 5.444 -4.531 -9.204 762 H ASP 97 H ASP 97 5.464 -2.436 -12.192 763 HA ASP 97 HA ASP 97 7.925 -1.824 -10.709 764 HB2 ASP 97 2HB ASP 97 6.833 -0.649 -12.923 765 HB3 ASP 97 1HB ASP 97 6.203 0.388 -11.644 766 H LEU 98 H LEU 98 7.854 -1.266 -8.605 767 HA LEU 98 HA LEU 98 5.228 -0.482 -7.498 768 HB2 LEU 98 2HB LEU 98 7.273 -2.004 -5.905 769 HB3 LEU 98 1HB LEU 98 5.546 -1.830 -5.608 770 HG LEU 98 HG LEU 98 5.335 -3.017 -7.961 771 HD11 LEU 98 1HD1 LEU 98 7.583 -3.215 -8.642 772 HD12 LEU 98 2HD1 LEU 98 7.215 -4.811 -7.992 773 HD13 LEU 98 3HD1 LEU 98 8.130 -3.656 -7.024 774 HD21 LEU 98 3HD2 LEU 98 4.630 -3.832 -5.647 775 HD22 LEU 98 1HD2 LEU 98 6.191 -4.650 -5.561 776 HD23 LEU 98 2HD2 LEU 98 5.030 -5.093 -6.813 777 H GLN 99 H GLN 99 5.172 1.289 -6.272 778 HA GLN 99 HA GLN 99 7.751 2.564 -5.596 779 HB2 GLN 99 2HB GLN 99 5.070 3.949 -5.651 780 HB3 GLN 99 1HB GLN 99 6.678 4.670 -5.731 781 HG2 GLN 99 2HG GLN 99 6.555 4.606 -7.975 782 HG3 GLN 99 1HG GLN 99 6.514 2.845 -7.892 783 HE21 GLN 99 1HE2 GLN 99 4.970 2.675 -9.663 784 HE22 GLN 99 2HE2 GLN 99 3.349 3.141 -9.470 785 H TYR 100 H TYR 100 8.219 2.860 -3.472 786 HA TYR 100 HA TYR 100 6.060 2.726 -1.524 787 HB2 TYR 100 2HB TYR 100 6.973 0.960 -0.228 788 HB3 TYR 100 1HB TYR 100 6.911 0.368 -1.882 789 HD1 TYR 100 2HD TYR 100 9.446 2.239 -2.641 790 HD2 TYR 100 1HD TYR 100 8.638 -0.722 0.355 791 HE1 TYR 100 2HE TYR 100 11.856 1.703 -2.516 792 HE2 TYR 100 1HE TYR 100 11.050 -1.264 0.462 793 HH TYR 100 HH TYR 100 13.204 -0.534 -1.778 794 H ILE 101 H ILE 101 6.834 3.124 0.692 795 HA ILE 101 HA ILE 101 9.324 4.589 0.936 796 HB ILE 101 HB ILE 101 8.435 6.621 0.562 797 HG12 ILE 101 2HG1 ILE 101 7.984 6.402 3.129 798 HG13 ILE 101 1HG1 ILE 101 7.149 7.666 2.236 799 HG21 ILE 101 1HG2 ILE 101 5.872 5.062 0.479 800 HG22 ILE 101 2HG2 ILE 101 6.804 5.681 -0.891 801 HG23 ILE 101 3HG2 ILE 101 5.924 6.796 0.159 802 HD11 ILE 101 3HD1 ILE 101 5.882 4.960 2.456 803 HD12 ILE 101 1HD1 ILE 101 5.134 6.528 2.202 804 HD13 ILE 101 2HD1 ILE 101 5.748 6.097 3.799 805 H SER 102 H SER 102 9.836 5.088 3.161 806 HA SER 102 HA SER 102 8.827 3.090 4.966 807 HB2 SER 102 2HB SER 102 10.398 4.029 6.568 808 HB3 SER 102 1HB SER 102 11.192 3.867 5.004 809 HG SER 102 HG SER 102 10.444 6.131 6.423 810 H LEU 103 H LEU 103 7.129 3.279 6.260 811 HA LEU 103 HA LEU 103 5.283 5.301 6.220 812 HB2 LEU 103 2HB LEU 103 5.442 2.917 7.500 813 HB3 LEU 103 1HB LEU 103 5.628 4.020 8.864 814 HG LEU 103 HG LEU 103 3.255 3.529 8.512 815 HD11 LEU 103 1HD1 LEU 103 4.228 5.929 9.019 816 HD12 LEU 103 2HD1 LEU 103 2.509 5.729 8.682 817 HD13 LEU 103 3HD1 LEU 103 3.596 6.303 7.416 818 HD21 LEU 103 3HD2 LEU 103 3.955 3.469 5.826 819 HD22 LEU 103 1HD2 LEU 103 3.024 4.961 5.963 820 HD23 LEU 103 2HD2 LEU 103 2.307 3.426 6.455 821 H LYS 104 H LYS 104 8.185 5.075 8.217 822 HA LYS 104 HA LYS 104 7.578 7.304 9.894 823 HB2 LYS 104 2HB LYS 104 10.366 6.405 9.186 824 HB3 LYS 104 1HB LYS 104 9.789 7.109 10.696 825 HG2 LYS 104 2HG LYS 104 8.297 5.035 10.916 826 HG3 LYS 104 1HG LYS 104 9.269 4.334 9.621 827 HD2 LYS 104 2HD LYS 104 11.321 4.787 10.984 828 HD3 LYS 104 1HD LYS 104 10.280 5.328 12.301 829 HE2 LYS 104 2HE LYS 104 9.718 2.655 11.087 830 HE3 LYS 104 1HE LYS 104 11.115 2.801 12.153 831 HZ1 LYS 104 3HZ LYS 104 8.446 2.570 12.879 832 HZ2 LYS 104 1HZ LYS 104 8.915 4.150 13.284 833 HZ3 LYS 104 2HZ LYS 104 9.781 2.824 13.899 834 H GLY 105 H GLY 105 9.205 6.891 6.808 835 HA2 GLY 105 2HA GLY 105 10.318 9.483 6.557 836 HA3 GLY 105 1HA GLY 105 9.971 8.372 5.241 837 H LEU 106 H LEU 106 7.257 8.092 5.399 838 HA LEU 106 HA LEU 106 6.380 10.404 4.031 839 HB2 LEU 106 2HB LEU 106 5.454 8.255 3.493 840 HB3 LEU 106 1HB LEU 106 4.834 8.059 5.131 841 HG LEU 106 HG LEU 106 4.011 10.545 3.752 842 HD11 LEU 106 1HD1 LEU 106 3.614 9.332 1.821 843 HD12 LEU 106 2HD1 LEU 106 2.117 9.004 2.692 844 HD13 LEU 106 3HD1 LEU 106 3.415 7.810 2.691 845 HD21 LEU 106 3HD2 LEU 106 3.085 10.044 5.914 846 HD22 LEU 106 1HD2 LEU 106 2.681 8.398 5.427 847 HD23 LEU 106 2HD2 LEU 106 1.798 9.763 4.742 848 H ARG 107 H ARG 107 5.719 9.223 7.313 849 HA ARG 107 HA ARG 107 3.813 11.239 7.855 850 HB2 ARG 107 2HB ARG 107 3.730 9.238 9.162 851 HB3 ARG 107 1HB ARG 107 5.385 9.461 9.702 852 HG2 ARG 107 2HG ARG 107 3.800 10.155 11.452 853 HG3 ARG 107 1HG ARG 107 4.741 11.532 10.875 854 HD2 ARG 107 2HD ARG 107 2.892 12.579 10.136 855 HD3 ARG 107 1HD ARG 107 2.372 11.145 9.257 856 HE ARG 107 HE ARG 107 1.915 10.895 12.078 857 HH11 ARG 107 1HH2 ARG 107 0.749 12.278 9.126 858 HH12 ARG 107 2HH2 ARG 107 -0.902 12.341 9.648 859 HH21 ARG 107 1HH1 ARG 107 -0.245 10.977 12.768 860 HH22 ARG 107 2HH1 ARG 107 -1.464 11.606 11.709 861 H GLU 108 H GLU 108 7.273 11.173 8.135 862 HA GLU 108 HA GLU 108 7.561 13.381 9.915 863 HB2 GLU 108 2HB GLU 108 9.303 11.572 9.044 864 HB3 GLU 108 1HB GLU 108 9.623 12.808 7.828 865 HG2 GLU 108 2HG GLU 108 9.579 13.412 10.791 866 HG3 GLU 108 1HG GLU 108 11.048 12.937 9.940 867 H VAL 109 H VAL 109 7.852 13.038 6.429 868 HA VAL 109 HA VAL 109 8.186 15.727 5.733 869 HB VAL 109 HB VAL 109 7.093 14.858 3.531 870 HG11 VAL 109 1HG1 VAL 109 9.435 14.972 3.515 871 HG12 VAL 109 2HG1 VAL 109 9.150 13.239 3.291 872 HG13 VAL 109 3HG1 VAL 109 9.579 13.863 4.880 873 HG21 VAL 109 3HG2 VAL 109 5.821 13.040 4.131 874 HG22 VAL 109 1HG2 VAL 109 7.014 12.434 5.267 875 HG23 VAL 109 2HG2 VAL 109 7.299 12.282 3.542 876 H LEU 110 H LEU 110 5.254 13.737 5.823 877 HA LEU 110 HA LEU 110 3.444 15.821 5.281 878 HB2 LEU 110 2HB LEU 110 3.350 13.057 5.838 879 HB3 LEU 110 1HB LEU 110 2.296 13.803 7.003 880 HG LEU 110 HG LEU 110 1.058 14.923 5.208 881 HD11 LEU 110 1HD1 LEU 110 3.481 14.332 3.760 882 HD12 LEU 110 2HD1 LEU 110 2.179 15.434 3.325 883 HD13 LEU 110 3HD1 LEU 110 2.085 13.732 2.869 884 HD21 LEU 110 3HD2 LEU 110 -0.047 13.045 4.406 885 HD22 LEU 110 1HD2 LEU 110 0.834 12.345 5.767 886 HD23 LEU 110 2HD2 LEU 110 1.450 12.156 4.125 887 H ARG 111 H ARG 111 5.144 14.838 8.157 888 HA ARG 111 HA ARG 111 3.621 16.110 10.133 889 HB2 ARG 111 2HB ARG 111 5.920 14.761 10.231 890 HB3 ARG 111 1HB ARG 111 6.595 16.388 10.216 891 HG2 ARG 111 2HG ARG 111 5.275 17.001 12.168 892 HG3 ARG 111 1HG ARG 111 4.460 15.437 12.146 893 HD2 ARG 111 2HD ARG 111 6.551 14.285 12.601 894 HD3 ARG 111 1HD ARG 111 7.450 15.794 12.476 895 HE ARG 111 HE ARG 111 5.402 15.932 14.482 896 HH11 ARG 111 1HH2 ARG 111 8.577 14.780 13.734 897 HH12 ARG 111 2HH2 ARG 111 9.119 14.788 15.379 898 HH21 ARG 111 1HH1 ARG 111 6.103 15.942 16.645 899 HH22 ARG 111 2HH1 ARG 111 7.717 15.444 17.028 900 H LEU 112 H LEU 112 5.887 17.305 7.731 901 HA LEU 112 HA LEU 112 6.029 20.002 8.607 902 HB2 LEU 112 2HB LEU 112 7.153 18.541 6.537 903 HB3 LEU 112 1HB LEU 112 6.047 19.627 5.695 904 HG LEU 112 HG LEU 112 7.041 21.514 7.095 905 HD11 LEU 112 1HD1 LEU 112 9.571 20.644 7.625 906 HD12 LEU 112 2HD1 LEU 112 8.641 19.195 8.005 907 HD13 LEU 112 3HD1 LEU 112 8.285 20.711 8.830 908 HD21 LEU 112 3HD2 LEU 112 9.370 20.621 5.604 909 HD22 LEU 112 1HD2 LEU 112 8.262 21.945 5.246 910 HD23 LEU 112 2HD2 LEU 112 7.889 20.311 4.699 911 H TYR 113 H TYR 113 3.720 18.061 6.951 912 HA TYR 113 HA TYR 113 1.905 20.397 6.633 913 HB2 TYR 113 2HB TYR 113 2.548 18.150 4.855 914 HB3 TYR 113 1HB TYR 113 0.816 18.368 5.106 915 HD1 TYR 113 1HD TYR 113 3.878 20.471 4.528 916 HD2 TYR 113 2HD TYR 113 -0.290 19.847 3.698 917 HE1 TYR 113 1HE TYR 113 3.894 22.413 2.985 918 HE2 TYR 113 2HE TYR 113 -0.273 21.788 2.155 919 HH TYR 113 HH TYR 113 1.060 23.230 1.031 920 HA PRO 114 HA PRO 114 0.371 17.762 10.115 921 HB2 PRO 114 2HB PRO 114 -0.954 20.290 10.860 922 HB3 PRO 114 1HB PRO 114 0.110 19.243 11.814 923 HG2 PRO 114 2HG PRO 114 0.896 21.629 10.867 924 HG3 PRO 114 1HG PRO 114 2.006 20.264 11.069 925 HD2 PRO 114 2HD PRO 114 0.796 21.354 8.559 926 HD3 PRO 114 1HD PRO 114 2.394 20.624 8.824 927 H GLU 115 H GLU 115 -1.641 20.122 8.291 928 HA GLU 115 HA GLU 115 -4.104 18.931 9.062 929 HB2 GLU 115 2HB GLU 115 -3.364 20.719 6.744 930 HB3 GLU 115 1HB GLU 115 -5.017 20.203 7.079 931 HG2 GLU 115 2HG GLU 115 -5.211 21.841 8.603 932 HG3 GLU 115 1HG GLU 115 -3.901 21.119 9.535 933 H TYR 116 H TYR 116 -2.245 18.705 6.044 934 HA TYR 116 HA TYR 116 -3.948 16.732 4.886 935 HB2 TYR 116 2HB TYR 116 -1.312 17.962 4.240 936 HB3 TYR 116 1HB TYR 116 -1.722 16.436 3.463 937 HD1 TYR 116 2HD TYR 116 -3.103 19.840 4.172 938 HD2 TYR 116 1HD TYR 116 -3.147 16.409 1.587 939 HE1 TYR 116 2HE TYR 116 -4.598 21.044 2.601 940 HE2 TYR 116 1HE TYR 116 -4.641 17.614 0.016 941 HH TYR 116 HH TYR 116 -6.429 20.087 0.713 942 H ALA 117 H ALA 117 -1.065 16.670 6.858 943 HA ALA 117 HA ALA 117 -0.387 13.958 6.480 944 HB1 ALA 117 1HB ALA 117 1.238 15.443 7.317 945 HB2 ALA 117 2HB ALA 117 0.908 14.279 8.601 946 HB3 ALA 117 3HB ALA 117 0.223 15.902 8.683 947 H GLN 118 H GLN 118 -1.940 15.485 9.306 948 HA GLN 118 HA GLN 118 -2.509 13.137 10.671 949 HB2 GLN 118 2HB GLN 118 -4.077 15.725 10.498 950 HB3 GLN 118 1HB GLN 118 -4.424 14.448 11.649 951 HG2 GLN 118 2HG GLN 118 -1.887 16.067 11.442 952 HG3 GLN 118 1HG GLN 118 -3.041 16.047 12.772 953 HE21 GLN 118 1HE2 GLN 118 -0.533 14.113 11.143 954 HE22 GLN 118 2HE2 GLN 118 -0.298 13.034 12.431 955 H LYS 119 H LYS 119 -4.051 14.663 7.953 956 HA LYS 119 HA LYS 119 -6.365 12.975 7.889 957 HB2 LYS 119 2HB LYS 119 -5.258 15.199 6.363 958 HB3 LYS 119 1HB LYS 119 -5.998 13.977 5.331 959 HG2 LYS 119 2HG LYS 119 -8.104 14.232 6.308 960 HG3 LYS 119 1HG LYS 119 -7.438 14.895 7.801 961 HD2 LYS 119 2HD LYS 119 -7.262 17.019 6.945 962 HD3 LYS 119 1HD LYS 119 -6.937 16.444 5.309 963 HE2 LYS 119 2HE LYS 119 -9.248 17.565 5.828 964 HE3 LYS 119 1HE LYS 119 -9.204 16.107 4.835 965 HZ1 LYS 119 3HZ LYS 119 -10.822 16.251 6.831 966 HZ2 LYS 119 1HZ LYS 119 -9.451 15.875 7.756 967 HZ3 LYS 119 2HZ LYS 119 -9.975 14.806 6.543 968 H PHE 120 H PHE 120 -3.083 12.738 6.647 969 HA PHE 120 HA PHE 120 -3.512 10.978 4.517 970 HB2 PHE 120 2HB PHE 120 -1.327 11.282 4.320 971 HB3 PHE 120 1HB PHE 120 -1.333 12.117 5.865 972 HD1 PHE 120 1HD PHE 120 -1.029 8.719 4.320 973 HD2 PHE 120 2HD PHE 120 -0.281 11.187 7.758 974 HE1 PHE 120 1HE PHE 120 0.398 6.955 5.273 975 HE2 PHE 120 2HE PHE 120 1.126 9.395 8.731 976 HZ PHE 120 HZ PHE 120 1.470 7.277 7.490 977 H VAL 121 H VAL 121 -2.783 10.161 7.920 978 HA VAL 121 HA VAL 121 -2.670 7.407 7.609 979 HB VAL 121 HB VAL 121 -3.342 7.262 9.983 980 HG11 VAL 121 1HG1 VAL 121 -1.415 9.400 9.104 981 HG12 VAL 121 2HG1 VAL 121 -1.062 7.789 9.726 982 HG13 VAL 121 3HG1 VAL 121 -1.646 9.047 10.815 983 HG21 VAL 121 3HG2 VAL 121 -4.449 9.923 9.327 984 HG22 VAL 121 1HG2 VAL 121 -3.605 9.836 10.873 985 HG23 VAL 121 2HG2 VAL 121 -4.965 8.761 10.548 986 H SER 122 H SER 122 -5.485 9.516 7.983 987 HA SER 122 HA SER 122 -7.338 7.276 7.911 988 HB2 SER 122 2HB SER 122 -7.821 9.206 9.345 989 HB3 SER 122 1HB SER 122 -7.840 10.260 7.934 990 HG SER 122 HG SER 122 -9.701 9.396 7.298 991 H GLU 123 H GLU 123 -6.048 9.663 5.703 992 HA GLU 123 HA GLU 123 -8.084 9.329 3.703 993 HB2 GLU 123 2HB GLU 123 -6.561 11.353 4.014 994 HB3 GLU 123 1HB GLU 123 -5.301 10.394 3.240 995 HG2 GLU 123 2HG GLU 123 -6.262 11.537 1.429 996 HG3 GLU 123 1HG GLU 123 -7.083 9.979 1.384 997 H ILE 124 H ILE 124 -5.377 7.478 4.639 998 HA ILE 124 HA ILE 124 -4.489 6.429 2.203 999 HB ILE 124 HB ILE 124 -3.764 6.109 4.784 1000 HG12 ILE 124 2HG1 ILE 124 -3.189 4.514 2.296 1001 HG13 ILE 124 1HG1 ILE 124 -2.190 5.732 3.091 1002 HG21 ILE 124 1HG2 ILE 124 -4.142 3.827 5.486 1003 HG22 ILE 124 2HG2 ILE 124 -4.972 3.446 3.980 1004 HG23 ILE 124 3HG2 ILE 124 -5.711 4.547 5.143 1005 HD11 ILE 124 3HD1 ILE 124 -2.219 4.048 5.100 1006 HD12 ILE 124 1HD1 ILE 124 -1.130 3.760 3.745 1007 HD13 ILE 124 2HD1 ILE 124 -2.645 2.867 3.863 1008 H GLN 125 H GLN 125 -7.161 5.343 4.295 1009 HA GLN 125 HA GLN 125 -7.767 2.933 3.139 1010 HB2 GLN 125 2HB GLN 125 -10.287 3.856 3.559 1011 HB3 GLN 125 1HB GLN 125 -9.239 3.214 4.822 1012 HG2 GLN 125 2HG GLN 125 -10.161 5.351 5.521 1013 HG3 GLN 125 1HG GLN 125 -8.422 5.463 5.291 1014 HE21 GLN 125 1HE2 GLN 125 -11.522 6.611 4.142 1015 HE22 GLN 125 2HE2 GLN 125 -10.913 7.685 2.977 1016 H HIS 126 H HIS 126 -8.326 6.122 1.816 1017 HA HIS 126 HA HIS 126 -10.178 5.458 -0.184 1018 HB2 HIS 126 2HB HIS 126 -9.692 7.768 0.325 1019 HB3 HIS 126 1HB HIS 126 -8.024 7.547 -0.187 1020 HD1 HIS 126 1HD HIS 126 -11.539 7.578 -1.586 1021 HD2 HIS 126 2HD HIS 126 -7.603 7.707 -2.957 1022 HE1 HIS 126 1HE HIS 126 -11.660 8.066 -4.069 1023 HE2 HIS 126 2HE HIS 126 -9.269 8.149 -4.919 1024 H ASP 127 H ASP 127 -6.944 4.508 0.196 1025 HA ASP 127 HA ASP 127 -6.812 3.690 -2.648 1026 HB2 ASP 127 2HB ASP 127 -4.577 4.468 -0.763 1027 HB3 ASP 127 1HB ASP 127 -4.325 3.738 -2.348 1028 H LEU 128 H LEU 128 -6.463 2.770 0.697 1029 HA LEU 128 HA LEU 128 -5.086 0.451 0.737 1030 HB2 LEU 128 2HB LEU 128 -6.315 1.354 2.678 1031 HB3 LEU 128 1HB LEU 128 -7.830 0.797 1.966 1032 HG LEU 128 HG LEU 128 -6.208 -1.455 1.867 1033 HD11 LEU 128 1HD1 LEU 128 -4.525 -0.438 3.291 1034 HD12 LEU 128 2HD1 LEU 128 -5.396 -1.646 4.236 1035 HD13 LEU 128 3HD1 LEU 128 -5.755 0.067 4.449 1036 HD21 LEU 128 3HD2 LEU 128 -7.726 -2.329 3.542 1037 HD22 LEU 128 1HD2 LEU 128 -8.638 -1.226 2.512 1038 HD23 LEU 128 2HD2 LEU 128 -8.107 -0.702 4.110 1039 H THR 129 H THR 129 -4.998 -1.063 -0.803 1040 HA THR 129 HA THR 129 -7.512 -2.008 -2.021 1041 HB THR 129 HB THR 129 -4.646 -2.015 -2.910 1042 HG1 THR 129 1HG THR 129 -6.846 -0.710 -3.497 1043 HG21 THR 129 3HG2 THR 129 -6.747 -4.051 -3.488 1044 HG22 THR 129 1HG2 THR 129 -4.994 -4.229 -3.435 1045 HG23 THR 129 2HG2 THR 129 -5.765 -3.494 -4.841 1046 H TYR 130 H TYR 130 -4.467 -3.200 -0.601 1047 HA TYR 130 HA TYR 130 -5.937 -5.608 0.268 1048 HB2 TYR 130 2HB TYR 130 -4.307 -5.865 -1.780 1049 HB3 TYR 130 1HB TYR 130 -3.057 -5.816 -0.537 1050 HD1 TYR 130 1HD TYR 130 -3.110 -7.482 1.346 1051 HD2 TYR 130 2HD TYR 130 -5.721 -7.778 -2.051 1052 HE1 TYR 130 1HE TYR 130 -3.586 -9.846 1.921 1053 HE2 TYR 130 2HE TYR 130 -6.197 -10.144 -1.478 1054 HH TYR 130 HH TYR 130 -5.683 -11.852 -0.149 1055 H ASN 131 H ASN 131 -5.918 -5.666 2.407 1056 HA ASN 131 HA ASN 131 -3.875 -4.213 3.898 1057 HB2 ASN 131 2HB ASN 131 -5.323 -4.286 5.712 1058 HB3 ASN 131 1HB ASN 131 -6.448 -4.263 4.355 1059 HD21 ASN 131 1HD2 ASN 131 -5.071 -6.315 6.892 1060 HD22 ASN 131 2HD2 ASN 131 -6.165 -7.596 6.689 1061 H LEU 132 H LEU 132 -2.019 -5.235 4.312 1062 HA LEU 132 HA LEU 132 -2.002 -8.145 4.639 1063 HB2 LEU 132 2HB LEU 132 -0.232 -6.412 3.437 1064 HB3 LEU 132 1HB LEU 132 0.530 -6.694 5.002 1065 HG LEU 132 HG LEU 132 1.271 -8.355 3.327 1066 HD11 LEU 132 1HD1 LEU 132 1.348 -9.186 5.532 1067 HD12 LEU 132 2HD1 LEU 132 0.456 -10.426 4.649 1068 HD13 LEU 132 3HD1 LEU 132 -0.410 -9.267 5.657 1069 HD21 LEU 132 3HD2 LEU 132 -1.254 -9.833 3.262 1070 HD22 LEU 132 1HD2 LEU 132 -0.167 -9.416 1.938 1071 HD23 LEU 132 2HD2 LEU 132 -1.377 -8.256 2.484 1072 H ARG 133 H ARG 133 -2.321 -8.946 6.596 1073 HA ARG 133 HA ARG 133 -1.644 -7.316 8.949 1074 HB2 ARG 133 2HB ARG 133 -3.243 -9.863 8.996 1075 HB3 ARG 133 1HB ARG 133 -3.252 -8.531 10.154 1076 HG2 ARG 133 2HG ARG 133 -3.987 -7.167 7.960 1077 HG3 ARG 133 1HG ARG 133 -4.612 -8.754 7.516 1078 HD2 ARG 133 2HD ARG 133 -6.275 -7.356 8.750 1079 HD3 ARG 133 1HD ARG 133 -5.910 -8.880 9.550 1080 HE ARG 133 HE ARG 133 -4.170 -6.913 10.564 1081 HH11 ARG 133 1HH2 ARG 133 -7.526 -7.755 10.484 1082 HH12 ARG 133 2HH2 ARG 133 -7.888 -7.024 12.012 1083 HH21 ARG 133 1HH1 ARG 133 -4.636 -5.951 12.567 1084 HH22 ARG 133 2HH1 ARG 133 -6.251 -6.002 13.192 1085 H GLU 134 H GLU 134 -0.552 -8.257 10.733 1086 HA GLU 134 HA GLU 134 1.611 -9.973 9.967 1087 HB2 GLU 134 2HB GLU 134 2.006 -9.860 12.552 1088 HB3 GLU 134 1HB GLU 134 2.241 -8.410 11.574 1089 HG2 GLU 134 2HG GLU 134 0.404 -7.365 12.438 1090 HG3 GLU 134 1HG GLU 134 -0.521 -8.861 12.547 1091 H GLY 135 H GLY 135 2.055 -12.064 10.630 1092 HA2 GLY 135 2HA GLY 135 1.625 -14.223 11.313 1093 HA3 GLY 135 1HA GLY 135 0.407 -13.561 12.401 Start of MODEL 2 1 H1 MET 1 H MET 1 0.870 18.226 -13.848 2 HA MET 1 HA MET 1 -0.076 16.107 -14.398 3 HB2 MET 1 2HB MET 1 2.422 14.926 -15.408 4 HB3 MET 1 1HB MET 1 0.787 14.845 -16.066 5 HG2 MET 1 2HG MET 1 1.025 17.149 -16.933 6 HG3 MET 1 1HG MET 1 2.667 17.213 -16.296 7 HE1 MET 1 3HE MET 1 4.205 17.446 -17.977 8 HE2 MET 1 1HE MET 1 2.925 17.947 -19.090 9 HE3 MET 1 2HE MET 1 4.150 16.794 -19.613 10 H ASN 2 H ASN 2 1.692 13.744 -14.175 11 HA ASN 2 HA ASN 2 3.266 13.849 -11.841 12 HB2 ASN 2 2HB ASN 2 0.985 14.374 -10.865 13 HB3 ASN 2 1HB ASN 2 0.506 12.740 -11.320 14 HD21 ASN 2 1HD2 ASN 2 0.838 11.213 -9.708 15 HD22 ASN 2 2HD2 ASN 2 1.985 11.343 -8.464 16 H LYS 3 H LYS 3 2.980 11.412 -10.740 17 HA LYS 3 HA LYS 3 2.462 9.288 -12.546 18 HB2 LYS 3 2HB LYS 3 4.449 10.203 -13.695 19 HB3 LYS 3 1HB LYS 3 5.383 10.015 -12.211 20 HG2 LYS 3 2HG LYS 3 5.472 7.721 -12.390 21 HG3 LYS 3 1HG LYS 3 3.910 7.619 -13.202 22 HD2 LYS 3 2HD LYS 3 4.812 8.110 -15.294 23 HD3 LYS 3 1HD LYS 3 6.208 8.943 -14.608 24 HE2 LYS 3 2HE LYS 3 5.719 5.957 -14.412 25 HE3 LYS 3 1HE LYS 3 6.808 6.721 -15.570 26 HZ1 LYS 3 3HZ LYS 3 8.275 7.319 -13.940 27 HZ2 LYS 3 1HZ LYS 3 7.699 5.858 -13.299 28 HZ3 LYS 3 2HZ LYS 3 7.099 7.337 -12.715 29 H GLU 4 H GLU 4 4.177 10.513 -9.742 30 HA GLU 4 HA GLU 4 4.557 7.939 -8.513 31 HB2 GLU 4 2HB GLU 4 4.859 10.791 -7.607 32 HB3 GLU 4 1HB GLU 4 4.978 9.459 -6.456 33 HG2 GLU 4 2HG GLU 4 6.907 8.607 -7.435 34 HG3 GLU 4 1HG GLU 4 6.546 9.317 -9.008 35 H LEU 5 H LEU 5 3.365 6.992 -6.867 36 HA LEU 5 HA LEU 5 0.604 7.283 -6.890 37 HB2 LEU 5 2HB LEU 5 2.473 5.626 -5.581 38 HB3 LEU 5 1HB LEU 5 1.478 6.332 -4.310 39 HG LEU 5 HG LEU 5 0.338 4.363 -4.957 40 HD11 LEU 5 1HD1 LEU 5 -0.867 6.783 -5.206 41 HD12 LEU 5 2HD1 LEU 5 -1.714 5.245 -5.304 42 HD13 LEU 5 3HD1 LEU 5 -1.217 6.075 -6.779 43 HD21 LEU 5 3HD2 LEU 5 0.061 3.593 -7.179 44 HD22 LEU 5 1HD2 LEU 5 1.706 4.227 -7.148 45 HD23 LEU 5 2HD2 LEU 5 0.407 5.184 -7.859 46 H LEU 6 H LEU 6 2.981 9.181 -5.241 47 HA LEU 6 HA LEU 6 1.574 10.084 -3.026 48 HB2 LEU 6 2HB LEU 6 2.831 12.207 -3.246 49 HB3 LEU 6 1HB LEU 6 3.866 10.780 -3.382 50 HG LEU 6 HG LEU 6 3.451 10.985 -5.940 51 HD11 LEU 6 1HD1 LEU 6 2.381 13.576 -4.881 52 HD12 LEU 6 2HD1 LEU 6 1.821 12.604 -6.242 53 HD13 LEU 6 3HD1 LEU 6 3.270 13.591 -6.403 54 HD21 LEU 6 3HD2 LEU 6 5.189 12.750 -4.233 55 HD22 LEU 6 1HD2 LEU 6 5.231 12.909 -5.989 56 HD23 LEU 6 2HD2 LEU 6 5.650 11.372 -5.232 57 H GLN 7 H GLN 7 0.286 10.005 -5.980 58 HA GLN 7 HA GLN 7 -0.782 12.591 -6.359 59 HB2 GLN 7 2HB GLN 7 -0.830 10.332 -7.839 60 HB3 GLN 7 1HB GLN 7 -2.442 10.251 -7.127 61 HG2 GLN 7 2HG GLN 7 -2.401 12.858 -7.820 62 HG3 GLN 7 1HG GLN 7 -1.321 12.214 -9.057 63 HE21 GLN 7 1HE2 GLN 7 -4.540 11.513 -7.581 64 HE22 GLN 7 2HE2 GLN 7 -5.236 10.953 -9.025 65 H LEU 8 H LEU 8 -1.234 10.234 -4.001 66 HA LEU 8 HA LEU 8 -3.949 10.517 -3.327 67 HB2 LEU 8 2HB LEU 8 -1.564 9.976 -1.546 68 HB3 LEU 8 1HB LEU 8 -3.247 9.719 -1.091 69 HG LEU 8 HG LEU 8 -2.386 8.473 -3.644 70 HD11 LEU 8 1HD1 LEU 8 -1.579 6.492 -2.063 71 HD12 LEU 8 2HD1 LEU 8 -1.178 7.827 -0.983 72 HD13 LEU 8 3HD1 LEU 8 -0.456 7.746 -2.591 73 HD21 LEU 8 3HD2 LEU 8 -3.716 6.576 -2.560 74 HD22 LEU 8 1HD2 LEU 8 -4.618 8.055 -2.889 75 HD23 LEU 8 2HD2 LEU 8 -4.072 7.700 -1.251 76 HA PRO 9 HA PRO 9 -4.674 14.556 -1.750 77 HB2 PRO 9 2HB PRO 9 -5.421 13.202 0.804 78 HB3 PRO 9 1HB PRO 9 -6.305 14.419 -0.133 79 HG2 PRO 9 2HG PRO 9 -6.944 11.816 -0.185 80 HG3 PRO 9 1HG PRO 9 -7.157 12.882 -1.582 81 HD2 PRO 9 2HD PRO 9 -5.206 10.701 -1.192 82 HD3 PRO 9 1HD PRO 9 -5.763 11.468 -2.695 83 H LEU 10 H LEU 10 -2.444 12.465 -0.058 84 HA LEU 10 HA LEU 10 -1.759 14.011 2.120 85 HB2 LEU 10 2HB LEU 10 0.705 13.130 1.413 86 HB3 LEU 10 1HB LEU 10 -0.462 12.247 2.395 87 HG LEU 10 HG LEU 10 -1.284 11.628 -0.166 88 HD11 LEU 10 1HD1 LEU 10 0.920 12.921 -0.748 89 HD12 LEU 10 2HD1 LEU 10 0.517 11.420 -1.604 90 HD13 LEU 10 3HD1 LEU 10 1.690 11.394 -0.285 91 HD21 LEU 10 3HD2 LEU 10 -0.610 9.456 0.372 92 HD22 LEU 10 1HD2 LEU 10 -0.706 10.207 1.969 93 HD23 LEU 10 2HD2 LEU 10 0.861 10.015 1.173 94 H PHE 11 H PHE 11 -0.358 14.245 -1.133 95 HA PHE 11 HA PHE 11 1.037 16.629 -0.257 96 HB2 PHE 11 2HB PHE 11 2.442 16.461 -2.076 97 HB3 PHE 11 1HB PHE 11 2.078 14.768 -1.718 98 HD1 PHE 11 1HD PHE 11 -0.417 14.233 -2.657 99 HD2 PHE 11 2HD PHE 11 2.418 16.873 -4.434 100 HE1 PHE 11 1HE PHE 11 -1.549 13.952 -4.856 101 HE2 PHE 11 2HE PHE 11 1.327 16.592 -6.640 102 HZ PHE 11 HZ PHE 11 -0.666 15.127 -6.854 103 H GLU 12 H GLU 12 -1.432 15.653 -2.574 104 HA GLU 12 HA GLU 12 -1.735 18.027 -3.998 105 HB2 GLU 12 2HB GLU 12 -2.876 15.971 -4.647 106 HB3 GLU 12 1HB GLU 12 -3.856 16.035 -3.182 107 HG2 GLU 12 2HG GLU 12 -4.954 16.942 -5.299 108 HG3 GLU 12 1HG GLU 12 -4.981 17.984 -3.882 109 H SER 13 H SER 13 -3.132 17.061 -0.897 110 HA SER 13 HA SER 13 -4.585 19.568 -0.655 111 HB2 SER 13 2HB SER 13 -4.273 17.770 1.686 112 HB3 SER 13 1HB SER 13 -5.710 18.579 1.068 113 HG SER 13 HG SER 13 -4.984 16.077 0.705 114 H ALA 14 H ALA 14 -1.441 18.844 -0.446 115 HA ALA 14 HA ALA 14 -0.942 20.638 1.849 116 HB1 ALA 14 1HB ALA 14 -0.020 18.124 1.606 117 HB2 ALA 14 2HB ALA 14 0.914 19.405 2.378 118 HB3 ALA 14 3HB ALA 14 1.231 18.975 0.689 119 H SER 15 H SER 15 1.192 21.815 1.581 120 HA SER 15 HA SER 15 1.131 23.287 -0.893 121 HB2 SER 15 2HB SER 15 1.808 24.160 1.453 122 HB3 SER 15 1HB SER 15 3.356 23.380 1.144 123 HG SER 15 HG SER 15 2.282 25.669 0.092 124 H ARG 16 H ARG 16 2.724 23.199 -2.544 125 HA ARG 16 HA ARG 16 3.663 20.720 -3.247 126 HB2 ARG 16 2HB ARG 16 4.968 23.404 -3.824 127 HB3 ARG 16 1HB ARG 16 5.361 21.899 -4.657 128 HG2 ARG 16 2HG ARG 16 2.549 23.009 -4.537 129 HG3 ARG 16 1HG ARG 16 3.673 23.401 -5.839 130 HD2 ARG 16 2HD ARG 16 3.974 20.820 -6.033 131 HD3 ARG 16 1HD ARG 16 2.464 20.738 -5.131 132 HE ARG 16 HE ARG 16 2.804 21.671 -7.872 133 HH11 ARG 16 1HH2 ARG 16 0.832 21.480 -5.033 134 HH12 ARG 16 2HH2 ARG 16 -0.652 21.766 -5.879 135 HH21 ARG 16 1HH1 ARG 16 0.861 22.046 -8.986 136 HH22 ARG 16 2HH1 ARG 16 -0.636 22.086 -8.116 137 H GLY 17 H GLY 17 4.723 22.810 -0.784 138 HA2 GLY 17 2HA GLY 17 7.406 22.052 -0.443 139 HA3 GLY 17 1HA GLY 17 6.335 22.611 0.843 140 H CYS 18 H CYS 18 4.356 20.562 0.654 141 HA CYS 18 HA CYS 18 5.641 18.497 2.180 142 HB2 CYS 18 2HB CYS 18 3.022 19.365 1.836 143 HB3 CYS 18 1HB CYS 18 3.036 17.778 1.046 144 HG CYS 18 HG CYS 18 4.270 17.019 3.439 145 H LEU 19 H LEU 19 4.723 18.976 -1.160 146 HA LEU 19 HA LEU 19 5.003 16.254 -1.937 147 HB2 LEU 19 2HB LEU 19 3.877 17.998 -3.327 148 HB3 LEU 19 1HB LEU 19 5.455 18.719 -3.636 149 HG LEU 19 HG LEU 19 6.229 16.762 -4.786 150 HD11 LEU 19 1HD1 LEU 19 3.798 15.479 -3.553 151 HD12 LEU 19 2HD1 LEU 19 5.463 14.898 -3.607 152 HD13 LEU 19 3HD1 LEU 19 4.461 14.834 -5.055 153 HD21 LEU 19 3HD2 LEU 19 3.833 18.149 -5.570 154 HD22 LEU 19 1HD2 LEU 19 3.748 16.483 -6.143 155 HD23 LEU 19 2HD2 LEU 19 5.114 17.501 -6.595 156 H ARG 20 H ARG 20 7.214 18.983 -1.668 157 HA ARG 20 HA ARG 20 9.501 17.595 -2.715 158 HB2 ARG 20 2HB ARG 20 9.915 19.850 -2.829 159 HB3 ARG 20 1HB ARG 20 8.975 20.208 -1.389 160 HG2 ARG 20 2HG ARG 20 11.619 18.767 -1.253 161 HG3 ARG 20 1HG ARG 20 11.484 20.524 -1.204 162 HD2 ARG 20 2HD ARG 20 9.571 19.570 0.625 163 HD3 ARG 20 1HD ARG 20 11.021 18.617 0.916 164 HE ARG 20 HE ARG 20 11.812 21.293 0.710 165 HH11 ARG 20 1HH2 ARG 20 9.832 19.266 2.696 166 HH12 ARG 20 2HH2 ARG 20 10.083 20.195 4.136 167 HH21 ARG 20 1HH1 ARG 20 12.148 22.516 2.598 168 HH22 ARG 20 2HH1 ARG 20 11.394 22.033 4.081 169 H SER 21 H SER 21 7.964 18.033 0.369 170 HA SER 21 HA SER 21 9.973 17.035 2.114 171 HB2 SER 21 2HB SER 21 8.262 17.076 3.718 172 HB3 SER 21 1HB SER 21 7.795 18.326 2.582 173 HG SER 21 HG SER 21 6.211 16.572 3.270 174 H LEU 22 H LEU 22 7.145 15.437 0.658 175 HA LEU 22 HA LEU 22 7.821 12.840 1.546 176 HB2 LEU 22 2HB LEU 22 5.808 14.052 -0.096 177 HB3 LEU 22 1HB LEU 22 6.468 12.645 -0.932 178 HG LEU 22 HG LEU 22 6.169 11.331 1.178 179 HD11 LEU 22 1HD1 LEU 22 5.271 12.238 3.050 180 HD12 LEU 22 2HD1 LEU 22 4.214 13.328 2.159 181 HD13 LEU 22 3HD1 LEU 22 5.914 13.741 2.394 182 HD21 LEU 22 3HD2 LEU 22 3.982 12.553 -0.426 183 HD22 LEU 22 1HD2 LEU 22 3.530 11.608 0.992 184 HD23 LEU 22 2HD2 LEU 22 4.481 10.859 -0.298 185 H SER 23 H SER 23 8.229 14.397 -1.651 186 HA SER 23 HA SER 23 9.568 12.298 -2.832 187 HB2 SER 23 2HB SER 23 9.171 13.667 -4.512 188 HB3 SER 23 1HB SER 23 9.170 15.095 -3.468 189 HG SER 23 HG SER 23 10.931 15.116 -4.930 190 H LEU 24 H LEU 24 10.749 14.694 -0.619 191 HA LEU 24 HA LEU 24 13.506 14.382 -1.042 192 HB2 LEU 24 2HB LEU 24 11.801 15.567 0.931 193 HB3 LEU 24 1HB LEU 24 13.052 14.622 1.735 194 HG LEU 24 HG LEU 24 13.694 17.005 1.233 195 HD11 LEU 24 1HD1 LEU 24 15.168 14.619 0.994 196 HD12 LEU 24 2HD1 LEU 24 15.807 16.232 1.306 197 HD13 LEU 24 3HD1 LEU 24 15.687 15.637 -0.350 198 HD21 LEU 24 3HD2 LEU 24 13.571 17.848 -0.857 199 HD22 LEU 24 1HD2 LEU 24 12.652 16.404 -1.283 200 HD23 LEU 24 2HD2 LEU 24 14.396 16.444 -1.535 201 H ILE 25 H ILE 25 11.115 12.464 0.706 202 HA ILE 25 HA ILE 25 13.223 10.443 1.200 203 HB ILE 25 HB ILE 25 11.968 11.464 3.209 204 HG12 ILE 25 2HG1 ILE 25 11.537 8.712 3.691 205 HG13 ILE 25 1HG1 ILE 25 12.835 8.783 2.539 206 HG21 ILE 25 1HG2 ILE 25 9.967 9.360 2.775 207 HG22 ILE 25 2HG2 ILE 25 9.757 10.776 1.732 208 HG23 ILE 25 3HG2 ILE 25 9.753 10.957 3.492 209 HD11 ILE 25 3HD1 ILE 25 14.001 8.958 4.559 210 HD12 ILE 25 1HD1 ILE 25 12.705 9.878 5.329 211 HD13 ILE 25 2HD1 ILE 25 13.769 10.659 4.153 212 H ILE 26 H ILE 26 11.400 10.839 -1.230 213 HA ILE 26 HA ILE 26 9.495 8.800 -1.304 214 HB ILE 26 HB ILE 26 10.786 10.654 -3.121 215 HG12 ILE 26 2HG1 ILE 26 8.358 10.571 -2.310 216 HG13 ILE 26 1HG1 ILE 26 8.604 10.838 -4.039 217 HG21 ILE 26 1HG2 ILE 26 10.147 7.927 -4.107 218 HG22 ILE 26 2HG2 ILE 26 11.671 8.779 -4.278 219 HG23 ILE 26 3HG2 ILE 26 10.246 9.311 -5.178 220 HD11 ILE 26 3HD1 ILE 26 7.035 8.863 -2.928 221 HD12 ILE 26 1HD1 ILE 26 8.526 8.027 -3.360 222 HD13 ILE 26 2HD1 ILE 26 7.630 8.920 -4.589 223 H LYS 27 H LYS 27 9.631 6.631 -1.677 224 HA LYS 27 HA LYS 27 12.328 5.592 -2.377 225 HB2 LYS 27 2HB LYS 27 10.317 4.138 -0.651 226 HB3 LYS 27 1HB LYS 27 11.977 3.665 -0.990 227 HG2 LYS 27 2HG LYS 27 11.584 6.378 0.158 228 HG3 LYS 27 1HG LYS 27 11.289 5.015 1.238 229 HD2 LYS 27 2HD LYS 27 13.501 4.134 0.852 230 HD3 LYS 27 1HD LYS 27 13.799 5.308 -0.431 231 HE2 LYS 27 2HE LYS 27 14.792 5.802 1.913 232 HE3 LYS 27 1HE LYS 27 13.946 7.109 1.085 233 HZ1 LYS 27 3HZ LYS 27 13.264 6.859 3.414 234 HZ2 LYS 27 1HZ LYS 27 12.714 5.290 3.083 235 HZ3 LYS 27 2HZ LYS 27 11.971 6.623 2.338 236 H THR 28 H THR 28 12.425 3.776 -3.754 237 HA THR 28 HA THR 28 9.897 3.173 -5.169 238 HB THR 28 HB THR 28 11.041 4.484 -6.730 239 HG1 THR 28 1HG THR 28 12.050 2.859 -8.158 240 HG21 THR 28 3HG2 THR 28 13.630 3.598 -7.037 241 HG22 THR 28 1HG2 THR 28 13.393 3.470 -5.294 242 HG23 THR 28 2HG2 THR 28 13.152 5.017 -6.105 243 H SER 29 H SER 29 9.407 1.083 -5.376 244 HA SER 29 HA SER 29 11.542 -0.922 -4.948 245 HB2 SER 29 2HB SER 29 9.502 -2.300 -4.003 246 HB3 SER 29 1HB SER 29 10.358 -1.161 -2.964 247 HG SER 29 HG SER 29 8.599 0.280 -4.191 248 H PHE 30 H PHE 30 11.597 -2.590 -6.392 249 HA PHE 30 HA PHE 30 9.351 -2.812 -8.300 250 HB2 PHE 30 2HB PHE 30 10.753 -2.797 -10.152 251 HB3 PHE 30 1HB PHE 30 11.511 -1.590 -9.114 252 HD1 PHE 30 2HD PHE 30 11.637 -5.189 -10.092 253 HD2 PHE 30 1HD PHE 30 13.716 -1.879 -8.316 254 HE1 PHE 30 2HE PHE 30 13.733 -6.516 -10.072 255 HE2 PHE 30 1HE PHE 30 15.813 -3.204 -8.296 256 HZ PHE 30 HZ PHE 30 15.822 -5.523 -9.174 257 H CYS 31 H CYS 31 9.068 -4.868 -9.281 258 HA CYS 31 HA CYS 31 10.566 -7.101 -8.082 259 HB2 CYS 31 2HB CYS 31 7.546 -6.986 -8.263 260 HB3 CYS 31 1HB CYS 31 8.507 -8.347 -7.678 261 HG CYS 31 HG CYS 31 9.386 -6.640 -5.758 262 H ALA 32 H ALA 32 10.540 -9.025 -9.316 263 HA ALA 32 HA ALA 32 9.875 -8.592 -12.159 264 HB1 ALA 32 1HB ALA 32 11.614 -10.748 -12.018 265 HB2 ALA 32 2HB ALA 32 12.192 -9.669 -10.750 266 HB3 ALA 32 3HB ALA 32 12.062 -9.087 -12.413 267 HA PRO 33 HA PRO 33 7.201 -12.117 -12.288 268 HB2 PRO 33 2HB PRO 33 8.842 -13.528 -14.302 269 HB3 PRO 33 1HB PRO 33 7.191 -12.901 -14.442 270 HG2 PRO 33 2HG PRO 33 9.277 -11.766 -15.695 271 HG3 PRO 33 1HG PRO 33 7.888 -10.835 -15.109 272 HD2 PRO 33 2HD PRO 33 10.632 -11.065 -13.935 273 HD3 PRO 33 1HD PRO 33 9.533 -9.669 -13.976 274 H GLY 34 H GLY 34 7.077 -13.745 -10.816 275 HA2 GLY 34 2HA GLY 34 7.647 -15.604 -9.565 276 HA3 GLY 34 1HA GLY 34 8.987 -15.871 -10.679 277 H GLU 35 H GLU 35 9.136 -12.724 -9.644 278 HA GLU 35 HA GLU 35 11.456 -13.231 -8.016 279 HB2 GLU 35 2HB GLU 35 10.800 -11.214 -9.642 280 HB3 GLU 35 1HB GLU 35 10.295 -10.532 -8.101 281 HG2 GLU 35 2HG GLU 35 12.536 -9.893 -8.198 282 HG3 GLU 35 1HG GLU 35 12.594 -11.377 -7.258 283 H PHE 36 H PHE 36 11.622 -13.295 -5.849 284 HA PHE 36 HA PHE 36 9.156 -13.039 -4.292 285 HB2 PHE 36 2HB PHE 36 11.752 -14.425 -3.963 286 HB3 PHE 36 1HB PHE 36 10.979 -13.851 -2.486 287 HD1 PHE 36 1HD PHE 36 8.517 -14.458 -2.095 288 HD2 PHE 36 2HD PHE 36 10.975 -16.369 -5.054 289 HE1 PHE 36 1HE PHE 36 6.931 -16.362 -2.182 290 HE2 PHE 36 2HE PHE 36 9.389 -18.274 -5.142 291 HZ PHE 36 HZ PHE 36 7.366 -18.269 -3.706 292 H LEU 37 H LEU 37 8.667 -11.158 -3.385 293 HA LEU 37 HA LEU 37 10.793 -9.256 -2.716 294 HB2 LEU 37 2HB LEU 37 8.926 -8.322 -3.930 295 HB3 LEU 37 1HB LEU 37 7.787 -8.980 -2.761 296 HG LEU 37 HG LEU 37 9.771 -7.441 -1.364 297 HD11 LEU 37 1HD1 LEU 37 8.253 -5.902 -3.488 298 HD12 LEU 37 2HD1 LEU 37 9.966 -6.304 -3.605 299 HD13 LEU 37 3HD1 LEU 37 9.395 -5.248 -2.313 300 HD21 LEU 37 3HD2 LEU 37 7.392 -8.042 -0.710 301 HD22 LEU 37 1HD2 LEU 37 6.846 -6.821 -1.858 302 HD23 LEU 37 2HD2 LEU 37 7.819 -6.348 -0.465 303 H ILE 38 H ILE 38 8.027 -10.900 -1.125 304 HA ILE 38 HA ILE 38 9.350 -10.389 1.433 305 HB ILE 38 HB ILE 38 6.795 -9.575 0.735 306 HG12 ILE 38 2HG1 ILE 38 6.771 -9.833 3.511 307 HG13 ILE 38 1HG1 ILE 38 8.478 -9.658 3.121 308 HG21 ILE 38 1HG2 ILE 38 6.653 -11.962 2.560 309 HG22 ILE 38 2HG2 ILE 38 6.102 -11.948 0.899 310 HG23 ILE 38 3HG2 ILE 38 5.300 -10.938 2.085 311 HD11 ILE 38 3HD1 ILE 38 6.231 -7.739 2.638 312 HD12 ILE 38 1HD1 ILE 38 7.587 -7.758 1.501 313 HD13 ILE 38 2HD1 ILE 38 7.869 -7.421 3.216 314 H ARG 39 H ARG 39 9.460 -12.014 2.930 315 HA ARG 39 HA ARG 39 8.607 -14.673 1.996 316 HB2 ARG 39 2HB ARG 39 10.999 -14.419 1.557 317 HB3 ARG 39 1HB ARG 39 11.239 -13.947 3.223 318 HG2 ARG 39 2HG ARG 39 11.818 -16.280 3.030 319 HG3 ARG 39 1HG ARG 39 10.314 -16.142 3.941 320 HD2 ARG 39 2HD ARG 39 9.161 -17.272 2.368 321 HD3 ARG 39 1HD ARG 39 9.812 -16.249 1.088 322 HE ARG 39 HE ARG 39 10.831 -18.842 1.922 323 HH11 ARG 39 1HH2 ARG 39 11.410 -15.841 0.296 324 HH12 ARG 39 2HH2 ARG 39 12.684 -16.468 -0.697 325 HH21 ARG 39 1HH1 ARG 39 12.499 -19.669 0.623 326 HH22 ARG 39 2HH1 ARG 39 13.300 -18.634 -0.513 327 H GLN 40 H GLN 40 7.048 -15.157 3.372 328 HA GLN 40 HA GLN 40 5.978 -14.537 5.556 329 HB2 GLN 40 2HB GLN 40 5.459 -16.736 5.118 330 HB3 GLN 40 1HB GLN 40 7.147 -17.229 5.023 331 HG2 GLN 40 2HG GLN 40 7.389 -17.305 7.360 332 HG3 GLN 40 1HG GLN 40 5.984 -16.277 7.631 333 HE21 GLN 40 1HE2 GLN 40 6.802 -19.509 6.253 334 HE22 GLN 40 2HE2 GLN 40 5.365 -20.249 6.772 335 H GLY 41 H GLY 41 6.386 -13.621 7.424 336 HA2 GLY 41 2HA GLY 41 7.385 -13.405 9.544 337 HA3 GLY 41 1HA GLY 41 8.746 -14.358 8.975 338 H ASP 42 H ASP 42 7.965 -12.070 6.663 339 HA ASP 42 HA ASP 42 10.378 -10.604 7.110 340 HB2 ASP 42 2HB ASP 42 8.131 -10.475 5.154 341 HB3 ASP 42 1HB ASP 42 9.155 -9.050 5.331 342 H ALA 43 H ALA 43 10.037 -8.026 6.840 343 HA ALA 43 HA ALA 43 8.231 -7.226 9.045 344 HB1 ALA 43 1HB ALA 43 11.065 -6.415 8.432 345 HB2 ALA 43 2HB ALA 43 10.393 -7.016 9.949 346 HB3 ALA 43 3HB ALA 43 10.008 -5.385 9.398 347 H LEU 44 H LEU 44 6.790 -5.713 8.557 348 HA LEU 44 HA LEU 44 6.994 -4.317 5.979 349 HB2 LEU 44 2HB LEU 44 4.908 -5.642 6.947 350 HB3 LEU 44 1HB LEU 44 4.595 -4.091 7.728 351 HG LEU 44 HG LEU 44 5.248 -3.308 5.181 352 HD11 LEU 44 1HD1 LEU 44 5.109 -5.909 4.736 353 HD12 LEU 44 2HD1 LEU 44 4.404 -4.776 3.583 354 HD13 LEU 44 3HD1 LEU 44 3.371 -5.608 4.746 355 HD21 LEU 44 3HD2 LEU 44 2.472 -4.066 6.115 356 HD22 LEU 44 1HD2 LEU 44 2.900 -2.805 4.958 357 HD23 LEU 44 2HD2 LEU 44 3.332 -2.625 6.659 358 H GLN 45 H GLN 45 7.841 -2.334 5.989 359 HA GLN 45 HA GLN 45 7.319 -0.610 8.336 360 HB2 GLN 45 2HB GLN 45 9.849 -0.819 6.688 361 HB3 GLN 45 1HB GLN 45 9.549 0.428 7.899 362 HG2 GLN 45 2HG GLN 45 9.440 -1.179 9.666 363 HG3 GLN 45 1HG GLN 45 9.369 -2.525 8.529 364 HE21 GLN 45 1HE2 GLN 45 11.336 -3.617 8.575 365 HE22 GLN 45 2HE2 GLN 45 12.860 -2.873 8.652 366 H ALA 46 H ALA 46 7.289 -0.978 4.910 367 HA ALA 46 HA ALA 46 6.412 1.834 4.639 368 HB1 ALA 46 1HB ALA 46 8.593 1.700 3.640 369 HB2 ALA 46 2HB ALA 46 7.415 1.755 2.330 370 HB3 ALA 46 3HB ALA 46 8.167 0.225 2.777 371 H ILE 47 H ILE 47 5.154 2.173 2.580 372 HA ILE 47 HA ILE 47 3.395 -0.161 2.080 373 HB ILE 47 HB ILE 47 2.216 1.629 3.272 374 HG12 ILE 47 2HG1 ILE 47 0.773 2.238 0.965 375 HG13 ILE 47 1HG1 ILE 47 1.545 0.700 0.581 376 HG21 ILE 47 1HG2 ILE 47 2.493 3.484 0.951 377 HG22 ILE 47 2HG2 ILE 47 3.854 3.369 2.066 378 HG23 ILE 47 3HG2 ILE 47 2.263 3.849 2.662 379 HD11 ILE 47 3HD1 ILE 47 0.745 -0.001 2.974 380 HD12 ILE 47 1HD1 ILE 47 -0.415 0.002 1.647 381 HD13 ILE 47 2HD1 ILE 47 -0.385 1.340 2.794 382 H TYR 48 H TYR 48 3.073 -0.769 -0.014 383 HA TYR 48 HA TYR 48 4.357 0.898 -2.085 384 HB2 TYR 48 2HB TYR 48 4.040 -1.976 -2.698 385 HB3 TYR 48 1HB TYR 48 5.367 -0.882 -3.055 386 HD1 TYR 48 1HD TYR 48 3.802 -2.106 0.168 387 HD2 TYR 48 2HD TYR 48 7.356 -1.648 -2.191 388 HE1 TYR 48 1HE TYR 48 5.135 -3.093 1.997 389 HE2 TYR 48 2HE TYR 48 8.693 -2.645 -0.358 390 HH TYR 48 HH TYR 48 7.140 -3.932 2.558 391 H PHE 49 H PHE 49 3.506 0.811 -4.197 392 HA PHE 49 HA PHE 49 0.697 -0.100 -4.412 393 HB2 PHE 49 2HB PHE 49 1.432 2.556 -4.377 394 HB3 PHE 49 1HB PHE 49 1.460 2.184 -6.099 395 HD1 PHE 49 1HD PHE 49 -0.627 1.256 -7.234 396 HD2 PHE 49 2HD PHE 49 -0.614 2.686 -3.169 397 HE1 PHE 49 1HE PHE 49 -3.083 1.448 -7.289 398 HE2 PHE 49 2HE PHE 49 -3.088 2.850 -3.232 399 HZ PHE 49 HZ PHE 49 -4.320 2.228 -5.294 400 H VAL 50 H VAL 50 0.178 -1.008 -6.405 401 HA VAL 50 HA VAL 50 2.452 -1.552 -8.159 402 HB VAL 50 HB VAL 50 0.212 -3.060 -7.125 403 HG11 VAL 50 1HG1 VAL 50 -0.644 -2.569 -9.347 404 HG12 VAL 50 2HG1 VAL 50 -0.296 -4.279 -9.169 405 HG13 VAL 50 3HG1 VAL 50 0.799 -3.237 -10.083 406 HG21 VAL 50 3HG2 VAL 50 1.684 -4.884 -7.458 407 HG22 VAL 50 1HG2 VAL 50 2.743 -3.524 -7.082 408 HG23 VAL 50 2HG2 VAL 50 2.547 -4.056 -8.754 409 H CYS 51 H CYS 51 2.519 -0.636 -10.132 410 HA CYS 51 HA CYS 51 0.136 0.876 -10.979 411 HB2 CYS 51 2HB CYS 51 3.059 1.141 -11.688 412 HB3 CYS 51 1HB CYS 51 1.780 2.037 -12.507 413 HG CYS 51 HG CYS 51 2.962 2.890 -9.944 414 H SER 52 H SER 52 2.218 -1.749 -11.865 415 HA SER 52 HA SER 52 0.425 -2.619 -13.914 416 HB2 SER 52 2HB SER 52 2.939 -1.181 -14.680 417 HB3 SER 52 1HB SER 52 2.375 -2.521 -15.671 418 HG SER 52 HG SER 52 1.087 -0.084 -15.045 419 H GLY 53 H GLY 53 0.804 -4.751 -14.488 420 HA2 GLY 53 2HA GLY 53 2.406 -6.604 -14.726 421 HA3 GLY 53 1HA GLY 53 3.167 -6.032 -13.246 422 H SER 54 H SER 54 2.848 -8.223 -12.432 423 HA SER 54 HA SER 54 0.214 -8.470 -11.157 424 HB2 SER 54 2HB SER 54 1.354 -10.962 -12.339 425 HB3 SER 54 1HB SER 54 -0.323 -10.545 -11.999 426 HG SER 54 HG SER 54 0.609 -8.800 -13.756 427 H MET 55 H MET 55 0.246 -9.502 -9.177 428 HA MET 55 HA MET 55 2.623 -10.918 -8.297 429 HB2 MET 55 2HB MET 55 2.625 -9.283 -6.212 430 HB3 MET 55 1HB MET 55 3.558 -8.907 -7.659 431 HG2 MET 55 2HG MET 55 2.237 -7.154 -8.208 432 HG3 MET 55 1HG MET 55 0.757 -8.004 -7.763 433 HE1 MET 55 3HE MET 55 3.852 -6.747 -4.822 434 HE2 MET 55 1HE MET 55 3.608 -5.391 -5.933 435 HE3 MET 55 2HE MET 55 4.005 -6.989 -6.560 436 H GLU 56 H GLU 56 2.361 -11.795 -6.093 437 HA GLU 56 HA GLU 56 -0.234 -11.699 -4.845 438 HB2 GLU 56 2HB GLU 56 -0.519 -14.257 -5.192 439 HB3 GLU 56 1HB GLU 56 -0.991 -13.173 -6.500 440 HG2 GLU 56 2HG GLU 56 0.354 -15.068 -7.343 441 HG3 GLU 56 1HG GLU 56 1.171 -13.530 -7.620 442 H VAL 57 H VAL 57 -0.291 -12.886 -2.829 443 HA VAL 57 HA VAL 57 2.396 -13.390 -1.808 444 HB VAL 57 HB VAL 57 1.655 -13.009 0.333 445 HG11 VAL 57 1HG1 VAL 57 1.293 -10.852 -0.191 446 HG12 VAL 57 2HG1 VAL 57 -0.422 -11.248 -0.177 447 HG13 VAL 57 3HG1 VAL 57 0.473 -11.262 -1.693 448 HG21 VAL 57 3HG2 VAL 57 -0.903 -14.083 -0.726 449 HG22 VAL 57 1HG2 VAL 57 -0.965 -12.993 0.647 450 HG23 VAL 57 2HG2 VAL 57 -0.039 -14.481 0.756 451 H LEU 58 H LEU 58 3.125 -15.373 -1.217 452 HA LEU 58 HA LEU 58 1.326 -17.615 -1.801 453 HB2 LEU 58 2HB LEU 58 3.952 -17.026 -2.608 454 HB3 LEU 58 1HB LEU 58 4.083 -18.385 -1.495 455 HG LEU 58 HG LEU 58 2.465 -18.206 -4.047 456 HD11 LEU 58 1HD1 LEU 58 4.697 -18.952 -4.431 457 HD12 LEU 58 2HD1 LEU 58 3.707 -20.412 -4.410 458 HD13 LEU 58 3HD1 LEU 58 4.676 -19.982 -3.000 459 HD21 LEU 58 3HD2 LEU 58 2.037 -20.745 -3.079 460 HD22 LEU 58 1HD2 LEU 58 0.876 -19.420 -2.962 461 HD23 LEU 58 2HD2 LEU 58 1.948 -19.779 -1.606 462 H LYS 59 H LYS 59 0.523 -18.738 -0.172 463 HA LYS 59 HA LYS 59 2.183 -19.553 2.015 464 HB2 LYS 59 2HB LYS 59 1.733 -17.440 2.929 465 HB3 LYS 59 1HB LYS 59 0.057 -17.480 2.434 466 HG2 LYS 59 2HG LYS 59 0.184 -17.902 4.833 467 HG3 LYS 59 1HG LYS 59 -0.329 -19.378 4.024 468 HD2 LYS 59 2HD LYS 59 1.363 -19.953 5.662 469 HD3 LYS 59 1HD LYS 59 2.070 -20.152 4.066 470 HE2 LYS 59 2HE LYS 59 3.513 -18.928 5.778 471 HE3 LYS 59 1HE LYS 59 3.285 -18.098 4.236 472 HZ1 LYS 59 3HZ LYS 59 1.755 -16.634 5.169 473 HZ2 LYS 59 1HZ LYS 59 2.937 -16.775 6.377 474 HZ3 LYS 59 2HZ LYS 59 1.472 -17.621 6.523 475 H ASP 60 H ASP 60 1.384 -21.302 3.112 476 HA ASP 60 HA ASP 60 0.139 -23.187 3.465 477 HB2 ASP 60 2HB ASP 60 -1.938 -21.079 3.039 478 HB3 ASP 60 1HB ASP 60 -2.436 -22.766 3.149 479 H ASN 61 H ASN 61 1.328 -23.024 0.962 480 HA ASN 61 HA ASN 61 1.321 -24.157 -1.034 481 HB2 ASN 61 2HB ASN 61 0.024 -25.808 0.548 482 HB3 ASN 61 1HB ASN 61 -1.361 -25.336 -0.436 483 HD21 ASN 61 1HD2 ASN 61 -0.059 -27.997 -0.417 484 HD22 ASN 61 2HD2 ASN 61 0.506 -28.259 -1.996 485 H THR 62 H THR 62 -1.035 -21.909 -0.188 486 HA THR 62 HA THR 62 -1.814 -21.659 -3.030 487 HB THR 62 HB THR 62 -3.635 -21.053 -0.715 488 HG1 THR 62 1HG THR 62 -4.506 -22.991 -1.011 489 HG21 THR 62 3HG2 THR 62 -4.113 -21.230 -3.707 490 HG22 THR 62 1HG2 THR 62 -4.042 -19.724 -2.779 491 HG23 THR 62 2HG2 THR 62 -5.344 -20.888 -2.493 492 H VAL 63 H VAL 63 -2.316 -19.531 -3.716 493 HA VAL 63 HA VAL 63 -0.643 -17.572 -2.502 494 HB VAL 63 HB VAL 63 -2.234 -16.188 -4.249 495 HG11 VAL 63 1HG1 VAL 63 0.270 -16.336 -4.109 496 HG12 VAL 63 2HG1 VAL 63 -0.352 -16.373 -5.758 497 HG13 VAL 63 3HG1 VAL 63 0.177 -17.865 -4.982 498 HG21 VAL 63 3HG2 VAL 63 -3.424 -18.318 -4.784 499 HG22 VAL 63 1HG2 VAL 63 -1.878 -19.017 -5.259 500 HG23 VAL 63 2HG2 VAL 63 -2.557 -17.671 -6.179 501 H LEU 64 H LEU 64 -1.179 -16.526 -0.693 502 HA LEU 64 HA LEU 64 -3.857 -16.573 0.306 503 HB2 LEU 64 2HB LEU 64 -1.296 -16.127 1.365 504 HB3 LEU 64 1HB LEU 64 -2.155 -14.609 1.600 505 HG LEU 64 HG LEU 64 -4.071 -16.390 2.390 506 HD11 LEU 64 1HD1 LEU 64 -1.661 -17.551 3.701 507 HD12 LEU 64 2HD1 LEU 64 -1.997 -18.089 2.051 508 HD13 LEU 64 3HD1 LEU 64 -3.205 -18.312 3.317 509 HD21 LEU 64 3HD2 LEU 64 -3.358 -14.434 3.659 510 HD22 LEU 64 1HD2 LEU 64 -1.811 -15.197 4.027 511 HD23 LEU 64 2HD2 LEU 64 -3.302 -15.848 4.710 512 H ALA 65 H ALA 65 -2.220 -14.596 -1.890 513 HA ALA 65 HA ALA 65 -4.470 -12.727 -1.885 514 HB1 ALA 65 1HB ALA 65 -3.226 -10.764 -1.589 515 HB2 ALA 65 2HB ALA 65 -1.696 -11.571 -1.932 516 HB3 ALA 65 3HB ALA 65 -2.518 -11.855 -0.398 517 H ILE 66 H ILE 66 -5.030 -12.180 -3.904 518 HA ILE 66 HA ILE 66 -3.062 -12.628 -6.061 519 HB ILE 66 HB ILE 66 -5.969 -13.435 -5.939 520 HG12 ILE 66 2HG1 ILE 66 -4.698 -15.538 -6.972 521 HG13 ILE 66 1HG1 ILE 66 -3.313 -14.808 -6.163 522 HG21 ILE 66 1HG2 ILE 66 -4.162 -12.974 -8.312 523 HG22 ILE 66 2HG2 ILE 66 -5.815 -12.410 -8.066 524 HG23 ILE 66 3HG2 ILE 66 -5.503 -14.116 -8.389 525 HD11 ILE 66 3HD1 ILE 66 -4.699 -14.712 -4.055 526 HD12 ILE 66 1HD1 ILE 66 -4.339 -16.349 -4.604 527 HD13 ILE 66 2HD1 ILE 66 -5.933 -15.650 -4.894 528 H LEU 67 H LEU 67 -2.585 -10.521 -6.634 529 HA LEU 67 HA LEU 67 -4.883 -8.819 -7.339 530 HB2 LEU 67 2HB LEU 67 -3.019 -6.993 -6.513 531 HB3 LEU 67 1HB LEU 67 -4.406 -7.528 -5.569 532 HG LEU 67 HG LEU 67 -2.966 -9.386 -4.663 533 HD11 LEU 67 1HD1 LEU 67 -1.354 -8.797 -6.765 534 HD12 LEU 67 2HD1 LEU 67 -0.793 -9.643 -5.320 535 HD13 LEU 67 3HD1 LEU 67 -0.534 -7.907 -5.483 536 HD21 LEU 67 3HD2 LEU 67 -2.447 -8.013 -2.932 537 HD22 LEU 67 1HD2 LEU 67 -3.123 -6.714 -3.915 538 HD23 LEU 67 2HD2 LEU 67 -1.386 -7.024 -3.937 539 H GLY 68 H GLY 68 -4.330 -6.979 -8.741 540 HA2 GLY 68 2HA GLY 68 -2.026 -7.564 -10.502 541 HA3 GLY 68 1HA GLY 68 -3.615 -7.190 -11.161 542 H LYS 69 H LYS 69 -2.771 -5.397 -12.266 543 HA LYS 69 HA LYS 69 -1.246 -3.318 -11.307 544 HB2 LYS 69 2HB LYS 69 -3.511 -2.941 -13.246 545 HB3 LYS 69 1HB LYS 69 -1.949 -2.135 -13.201 546 HG2 LYS 69 2HG LYS 69 -0.865 -4.374 -13.628 547 HG3 LYS 69 1HG LYS 69 -2.480 -5.031 -13.889 548 HD2 LYS 69 2HD LYS 69 -2.831 -3.290 -15.666 549 HD3 LYS 69 1HD LYS 69 -1.141 -2.824 -15.474 550 HE2 LYS 69 2HE LYS 69 -0.368 -4.690 -16.535 551 HE3 LYS 69 1HE LYS 69 -1.618 -5.723 -15.841 552 HZ1 LYS 69 3HZ LYS 69 -2.799 -3.845 -17.577 553 HZ2 LYS 69 1HZ LYS 69 -2.795 -5.537 -17.689 554 HZ3 LYS 69 2HZ LYS 69 -1.539 -4.639 -18.395 555 H GLY 70 H GLY 70 -1.560 -1.517 -10.156 556 HA2 GLY 70 2HA GLY 70 -2.658 0.243 -9.126 557 HA3 GLY 70 1HA GLY 70 -4.188 -0.448 -9.612 558 H ASP 71 H ASP 71 -2.760 -3.016 -8.323 559 HA ASP 71 HA ASP 71 -4.301 -2.984 -5.965 560 HB2 ASP 71 2HB ASP 71 -3.353 -5.079 -5.477 561 HB3 ASP 71 1HB ASP 71 -3.370 -4.993 -7.239 562 H LEU 72 H LEU 72 -3.606 -3.010 -3.761 563 HA LEU 72 HA LEU 72 -1.159 -1.412 -3.298 564 HB2 LEU 72 2HB LEU 72 -3.177 -0.111 -2.812 565 HB3 LEU 72 1HB LEU 72 -3.758 -1.385 -1.742 566 HG LEU 72 HG LEU 72 -1.407 -1.028 -0.565 567 HD11 LEU 72 1HD1 LEU 72 -0.671 0.601 -2.322 568 HD12 LEU 72 2HD1 LEU 72 -0.620 1.255 -0.684 569 HD13 LEU 72 3HD1 LEU 72 -1.941 1.693 -1.767 570 HD21 LEU 72 3HD2 LEU 72 -2.489 0.401 1.020 571 HD22 LEU 72 1HD2 LEU 72 -3.763 -0.600 0.323 572 HD23 LEU 72 2HD2 LEU 72 -3.560 1.068 -0.213 573 H ILE 73 H ILE 73 0.234 -2.088 -1.770 574 HA ILE 73 HA ILE 73 -0.412 -4.575 -0.347 575 HB ILE 73 HB ILE 73 1.304 -5.006 -1.976 576 HG12 ILE 73 2HG1 ILE 73 3.214 -5.600 -0.521 577 HG13 ILE 73 1HG1 ILE 73 2.534 -4.596 0.759 578 HG21 ILE 73 1HG2 ILE 73 2.094 -2.374 -1.139 579 HG22 ILE 73 2HG2 ILE 73 2.276 -3.180 -2.695 580 HG23 ILE 73 3HG2 ILE 73 3.431 -3.497 -1.396 581 HD11 ILE 73 3HD1 ILE 73 1.012 -6.886 -0.499 582 HD12 ILE 73 1HD1 ILE 73 0.625 -6.020 0.987 583 HD13 ILE 73 2HD1 ILE 73 2.026 -7.090 0.929 584 H GLY 74 H GLY 74 -0.235 -4.585 1.823 585 HA2 GLY 74 2HA GLY 74 1.134 -3.812 3.767 586 HA3 GLY 74 1HA GLY 74 0.952 -2.190 3.102 587 H SER 75 H SER 75 0.103 -3.222 5.727 588 HA SER 75 HA SER 75 -2.764 -3.479 5.656 589 HB2 SER 75 2HB SER 75 -2.108 -2.852 8.258 590 HB3 SER 75 1HB SER 75 -2.184 -4.478 7.584 591 HG SER 75 HG SER 75 0.144 -3.278 6.944 592 H ASP 76 H ASP 76 -4.301 -2.006 6.262 593 HA ASP 76 HA ASP 76 -3.624 0.787 5.859 594 HB2 ASP 76 2HB ASP 76 -6.149 1.044 6.242 595 HB3 ASP 76 1HB ASP 76 -5.647 0.126 4.824 596 H SER 77 H SER 77 -5.373 2.121 7.461 597 HA SER 77 HA SER 77 -5.722 2.944 9.585 598 HB2 SER 77 2HB SER 77 -5.996 0.336 9.997 599 HB3 SER 77 1HB SER 77 -4.477 0.550 10.864 600 HG SER 77 HG SER 77 -5.695 2.454 11.812 601 H LEU 78 H LEU 78 -3.409 3.586 8.157 602 HA LEU 78 HA LEU 78 -0.960 3.309 9.420 603 HB2 LEU 78 2HB LEU 78 -2.204 5.381 7.681 604 HB3 LEU 78 1HB LEU 78 -0.703 5.801 8.504 605 HG LEU 78 HG LEU 78 0.441 3.915 7.522 606 HD11 LEU 78 1HD1 LEU 78 -2.350 3.082 6.885 607 HD12 LEU 78 2HD1 LEU 78 -0.972 2.103 7.384 608 HD13 LEU 78 3HD1 LEU 78 -1.101 2.657 5.715 609 HD21 LEU 78 3HD2 LEU 78 0.715 5.332 5.782 610 HD22 LEU 78 1HD2 LEU 78 -0.950 5.909 5.896 611 HD23 LEU 78 2HD2 LEU 78 -0.576 4.449 4.980 612 H THR 79 H THR 79 -3.752 4.670 10.685 613 HA THR 79 HA THR 79 -2.513 6.703 12.325 614 HB THR 79 HB THR 79 -5.232 5.542 12.846 615 HG1 THR 79 1HG THR 79 -5.990 6.963 11.217 616 HG21 THR 79 3HG2 THR 79 -5.638 8.050 13.206 617 HG22 THR 79 1HG2 THR 79 -3.887 8.232 13.105 618 HG23 THR 79 2HG2 THR 79 -4.599 7.242 14.378 619 H LYS 80 H LYS 80 -2.964 3.315 12.511 620 HA LYS 80 HA LYS 80 -2.969 3.151 15.397 621 HB2 LYS 80 2HB LYS 80 -3.104 0.829 15.117 622 HB3 LYS 80 1HB LYS 80 -3.944 1.446 13.695 623 HG2 LYS 80 2HG LYS 80 -1.777 1.277 12.428 624 HG3 LYS 80 1HG LYS 80 -1.075 0.480 13.835 625 HD2 LYS 80 2HD LYS 80 -3.658 -0.591 12.784 626 HD3 LYS 80 1HD LYS 80 -2.193 -0.924 11.857 627 HE2 LYS 80 2HE LYS 80 -1.132 -1.943 13.780 628 HE3 LYS 80 1HE LYS 80 -2.466 -1.460 14.828 629 HZ1 LYS 80 3HZ LYS 80 -2.272 -3.677 12.998 630 HZ2 LYS 80 1HZ LYS 80 -3.723 -2.808 12.864 631 HZ3 LYS 80 2HZ LYS 80 -3.267 -3.474 14.360 632 H GLU 81 H GLU 81 -0.661 3.934 13.168 633 HA GLU 81 HA GLU 81 1.664 3.447 13.026 634 HB2 GLU 81 2HB GLU 81 1.261 4.839 15.682 635 HB3 GLU 81 1HB GLU 81 2.734 4.854 14.712 636 HG2 GLU 81 2HG GLU 81 0.147 5.729 13.468 637 HG3 GLU 81 1HG GLU 81 1.026 6.844 14.514 638 H GLN 82 H GLN 82 2.054 1.243 13.167 639 HA GLN 82 HA GLN 82 3.246 0.373 15.657 640 HB2 GLN 82 2HB GLN 82 0.565 -0.274 15.213 641 HB3 GLN 82 1HB GLN 82 1.464 -1.723 14.783 642 HG2 GLN 82 2HG GLN 82 1.551 -0.231 17.402 643 HG3 GLN 82 1HG GLN 82 1.003 -1.879 17.110 644 HE21 GLN 82 1HE2 GLN 82 2.626 -3.544 16.817 645 HE22 GLN 82 2HE2 GLN 82 4.265 -3.261 17.151 646 H VAL 83 H VAL 83 4.088 -1.944 15.385 647 HA VAL 83 HA VAL 83 5.451 -2.052 12.806 648 HB VAL 83 HB VAL 83 7.032 -3.433 13.846 649 HG11 VAL 83 1HG1 VAL 83 5.843 -1.591 15.940 650 HG12 VAL 83 2HG1 VAL 83 7.161 -1.229 14.825 651 HG13 VAL 83 3HG1 VAL 83 7.401 -2.399 16.123 652 HG21 VAL 83 3HG2 VAL 83 6.425 -4.454 16.162 653 HG22 VAL 83 1HG2 VAL 83 5.745 -5.209 14.721 654 HG23 VAL 83 2HG2 VAL 83 4.755 -4.127 15.700 655 H ILE 84 H ILE 84 4.807 -3.341 11.201 656 HA ILE 84 HA ILE 84 3.048 -5.626 11.856 657 HB ILE 84 HB ILE 84 3.163 -3.875 9.393 658 HG12 ILE 84 2HG1 ILE 84 0.589 -3.916 10.152 659 HG13 ILE 84 1HG1 ILE 84 1.328 -4.222 11.724 660 HG21 ILE 84 1HG2 ILE 84 1.977 -6.585 9.881 661 HG22 ILE 84 2HG2 ILE 84 2.745 -5.947 8.427 662 HG23 ILE 84 3HG2 ILE 84 1.106 -5.451 8.850 663 HD11 ILE 84 3HD1 ILE 84 2.807 -2.221 11.337 664 HD12 ILE 84 1HD1 ILE 84 1.093 -1.826 11.464 665 HD13 ILE 84 2HD1 ILE 84 1.871 -1.878 9.882 666 H LYS 85 H LYS 85 3.681 -7.611 11.261 667 HA LYS 85 HA LYS 85 6.131 -7.804 9.620 668 HB2 LYS 85 2HB LYS 85 6.091 -10.178 10.863 669 HB3 LYS 85 1HB LYS 85 6.856 -8.756 11.564 670 HG2 LYS 85 2HG LYS 85 5.100 -8.351 13.029 671 HG3 LYS 85 1HG LYS 85 3.946 -9.243 12.044 672 HD2 LYS 85 2HD LYS 85 4.793 -11.344 12.742 673 HD3 LYS 85 1HD LYS 85 6.281 -10.626 13.358 674 HE2 LYS 85 2HE LYS 85 4.147 -11.279 14.924 675 HE3 LYS 85 1HE LYS 85 5.340 -10.046 15.333 676 HZ1 LYS 85 3HZ LYS 85 2.901 -9.387 15.405 677 HZ2 LYS 85 1HZ LYS 85 2.956 -9.411 13.709 678 HZ3 LYS 85 2HZ LYS 85 3.961 -8.350 14.574 679 H THR 86 H THR 86 6.076 -9.007 7.812 680 HA THR 86 HA THR 86 3.528 -9.951 6.871 681 HB THR 86 HB THR 86 5.977 -10.736 5.406 682 HG1 THR 86 1HG THR 86 5.944 -8.413 6.527 683 HG21 THR 86 3HG2 THR 86 3.313 -9.460 4.785 684 HG22 THR 86 1HG2 THR 86 3.939 -11.016 4.244 685 HG23 THR 86 2HG2 THR 86 4.603 -9.520 3.590 686 H ASN 87 H ASN 87 2.674 -11.859 7.305 687 HA ASN 87 HA ASN 87 4.311 -13.984 8.430 688 HB2 ASN 87 2HB ASN 87 1.843 -13.195 9.051 689 HB3 ASN 87 1HB ASN 87 1.424 -14.378 7.813 690 HD21 ASN 87 1HD2 ASN 87 3.396 -14.062 10.812 691 HD22 ASN 87 2HD2 ASN 87 3.214 -15.686 11.273 692 H ALA 88 H ALA 88 2.637 -13.240 5.440 693 HA ALA 88 HA ALA 88 3.203 -15.918 4.383 694 HB1 ALA 88 1HB ALA 88 1.357 -13.711 3.655 695 HB2 ALA 88 2HB ALA 88 1.101 -15.458 3.597 696 HB3 ALA 88 3HB ALA 88 2.015 -14.652 2.314 697 H ASN 89 H ASN 89 3.669 -15.560 1.806 698 HA ASN 89 HA ASN 89 6.147 -13.930 1.720 699 HB2 ASN 89 2HB ASN 89 5.513 -16.335 -0.020 700 HB3 ASN 89 1HB ASN 89 7.074 -15.557 0.217 701 HD21 ASN 89 1HD2 ASN 89 7.416 -18.089 0.752 702 HD22 ASN 89 2HD2 ASN 89 7.291 -18.477 2.399 703 H VAL 90 H VAL 90 6.655 -13.163 -0.566 704 HA VAL 90 HA VAL 90 4.243 -12.619 -2.112 705 HB VAL 90 HB VAL 90 6.182 -10.741 -0.872 706 HG11 VAL 90 1HG1 VAL 90 6.331 -10.423 -3.297 707 HG12 VAL 90 2HG1 VAL 90 5.607 -9.028 -2.501 708 HG13 VAL 90 3HG1 VAL 90 4.591 -10.178 -3.376 709 HG21 VAL 90 3HG2 VAL 90 3.886 -11.158 0.070 710 HG22 VAL 90 1HG2 VAL 90 3.209 -10.531 -1.433 711 HG23 VAL 90 2HG2 VAL 90 4.162 -9.478 -0.387 712 H LYS 91 H LYS 91 4.510 -13.173 -4.126 713 HA LYS 91 HA LYS 91 7.210 -13.029 -5.290 714 HB2 LYS 91 2HB LYS 91 6.827 -15.364 -4.880 715 HB3 LYS 91 1HB LYS 91 5.193 -15.269 -5.536 716 HG2 LYS 91 2HG LYS 91 6.122 -14.704 -7.758 717 HG3 LYS 91 1HG LYS 91 7.755 -14.823 -7.099 718 HD2 LYS 91 2HD LYS 91 7.596 -16.983 -7.833 719 HD3 LYS 91 1HD LYS 91 6.748 -17.213 -6.303 720 HE2 LYS 91 2HE LYS 91 4.600 -16.645 -7.531 721 HE3 LYS 91 1HE LYS 91 5.524 -16.734 -9.031 722 HZ1 LYS 91 3HZ LYS 91 6.072 -18.996 -7.442 723 HZ2 LYS 91 1HZ LYS 91 5.378 -18.928 -8.989 724 HZ3 LYS 91 2HZ LYS 91 4.389 -18.830 -7.611 725 H ALA 92 H ALA 92 7.205 -11.647 -6.926 726 HA ALA 92 HA ALA 92 4.821 -10.617 -8.093 727 HB1 ALA 92 1HB ALA 92 6.457 -9.051 -8.386 728 HB2 ALA 92 2HB ALA 92 6.759 -9.942 -9.878 729 HB3 ALA 92 3HB ALA 92 7.741 -10.258 -8.447 730 H LEU 93 H LEU 93 3.571 -11.682 -9.470 731 HA LEU 93 HA LEU 93 4.368 -14.104 -10.744 732 HB2 LEU 93 2HB LEU 93 1.942 -12.592 -10.348 733 HB3 LEU 93 1HB LEU 93 2.062 -13.112 -12.027 734 HG LEU 93 HG LEU 93 2.293 -15.417 -11.384 735 HD11 LEU 93 1HD1 LEU 93 1.998 -15.654 -8.676 736 HD12 LEU 93 2HD1 LEU 93 2.995 -14.203 -8.779 737 HD13 LEU 93 3HD1 LEU 93 3.552 -15.711 -9.504 738 HD21 LEU 93 3HD2 LEU 93 -0.005 -14.631 -11.372 739 HD22 LEU 93 1HD2 LEU 93 0.179 -13.997 -9.736 740 HD23 LEU 93 2HD2 LEU 93 0.205 -15.738 -10.015 741 H THR 94 H THR 94 3.713 -10.818 -11.891 742 HA THR 94 HA THR 94 5.305 -11.418 -14.307 743 HB THR 94 HB THR 94 3.816 -9.962 -15.600 744 HG1 THR 94 1HG THR 94 2.569 -9.711 -13.084 745 HG21 THR 94 3HG2 THR 94 1.657 -11.548 -14.588 746 HG22 THR 94 1HG2 THR 94 3.137 -12.504 -14.505 747 HG23 THR 94 2HG2 THR 94 2.619 -11.811 -16.042 748 H TYR 95 H TYR 95 6.601 -9.686 -15.059 749 HA TYR 95 HA TYR 95 7.869 -8.125 -13.188 750 HB2 TYR 95 2HB TYR 95 7.734 -6.633 -15.640 751 HB3 TYR 95 1HB TYR 95 9.091 -7.544 -14.974 752 HD1 TYR 95 2HD TYR 95 5.735 -8.311 -16.488 753 HD2 TYR 95 1HD TYR 95 9.934 -9.212 -16.356 754 HE1 TYR 95 2HE TYR 95 5.416 -10.050 -18.227 755 HE2 TYR 95 1HE TYR 95 9.615 -10.950 -18.097 756 HH TYR 95 HH TYR 95 6.982 -12.370 -18.811 757 H CYS 96 H CYS 96 7.251 -6.483 -11.947 758 HA CYS 96 HA CYS 96 5.137 -4.694 -12.939 759 HB2 CYS 96 2HB CYS 96 3.965 -4.786 -10.842 760 HB3 CYS 96 1HB CYS 96 4.212 -6.447 -11.378 761 HG CYS 96 HG CYS 96 5.078 -5.594 -8.767 762 H ASP 97 H ASP 97 5.204 -2.585 -12.210 763 HA ASP 97 HA ASP 97 7.727 -1.799 -10.891 764 HB2 ASP 97 2HB ASP 97 7.646 -0.468 -12.769 765 HB3 ASP 97 1HB ASP 97 5.886 -0.503 -12.848 766 H LEU 98 H LEU 98 7.635 -1.167 -8.804 767 HA LEU 98 HA LEU 98 4.993 -0.384 -7.722 768 HB2 LEU 98 2HB LEU 98 6.966 -1.560 -5.879 769 HB3 LEU 98 1HB LEU 98 5.217 -1.752 -5.944 770 HG LEU 98 HG LEU 98 7.274 -3.112 -7.708 771 HD11 LEU 98 1HD1 LEU 98 5.409 -3.887 -5.508 772 HD12 LEU 98 2HD1 LEU 98 7.103 -4.333 -5.727 773 HD13 LEU 98 3HD1 LEU 98 5.852 -5.090 -6.721 774 HD21 LEU 98 3HD2 LEU 98 5.677 -3.402 -9.279 775 HD22 LEU 98 1HD2 LEU 98 4.582 -2.380 -8.355 776 HD23 LEU 98 2HD2 LEU 98 4.612 -4.114 -8.075 777 H GLN 99 H GLN 99 4.910 1.190 -6.165 778 HA GLN 99 HA GLN 99 7.397 2.717 -5.684 779 HB2 GLN 99 2HB GLN 99 4.635 3.933 -5.897 780 HB3 GLN 99 1HB GLN 99 6.187 4.771 -5.852 781 HG2 GLN 99 2HG GLN 99 6.169 2.849 -8.009 782 HG3 GLN 99 1HG GLN 99 4.776 3.921 -8.144 783 HE21 GLN 99 1HE2 GLN 99 5.886 6.310 -7.063 784 HE22 GLN 99 2HE2 GLN 99 7.126 6.845 -8.093 785 H TYR 100 H TYR 100 7.800 3.156 -3.564 786 HA TYR 100 HA TYR 100 5.643 3.023 -1.624 787 HB2 TYR 100 2HB TYR 100 6.604 1.339 -0.242 788 HB3 TYR 100 1HB TYR 100 6.523 0.659 -1.860 789 HD1 TYR 100 2HD TYR 100 9.028 2.579 -2.717 790 HD2 TYR 100 1HD TYR 100 8.304 -0.323 0.358 791 HE1 TYR 100 2HE TYR 100 11.447 2.094 -2.599 792 HE2 TYR 100 1HE TYR 100 10.726 -0.816 0.456 793 HH TYR 100 HH TYR 100 12.855 0.342 -0.080 794 H ILE 101 H ILE 101 6.436 3.484 0.594 795 HA ILE 101 HA ILE 101 8.907 4.982 0.772 796 HB ILE 101 HB ILE 101 7.993 6.979 0.321 797 HG12 ILE 101 2HG1 ILE 101 7.728 6.877 2.900 798 HG13 ILE 101 1HG1 ILE 101 6.771 8.074 2.030 799 HG21 ILE 101 1HG2 ILE 101 5.427 5.427 0.476 800 HG22 ILE 101 2HG2 ILE 101 6.264 5.977 -0.981 801 HG23 ILE 101 3HG2 ILE 101 5.456 7.144 0.071 802 HD11 ILE 101 3HD1 ILE 101 5.679 6.318 3.789 803 HD12 ILE 101 1HD1 ILE 101 5.523 5.401 2.291 804 HD13 ILE 101 2HD1 ILE 101 4.794 6.996 2.422 805 H SER 102 H SER 102 9.479 5.487 2.966 806 HA SER 102 HA SER 102 8.436 3.526 4.814 807 HB2 SER 102 2HB SER 102 10.152 4.533 6.361 808 HB3 SER 102 1HB SER 102 10.804 3.893 4.855 809 HG SER 102 HG SER 102 10.677 6.476 5.789 810 H LEU 103 H LEU 103 6.866 3.837 6.229 811 HA LEU 103 HA LEU 103 5.246 6.059 6.386 812 HB2 LEU 103 2HB LEU 103 5.355 3.592 7.657 813 HB3 LEU 103 1HB LEU 103 5.515 4.747 8.981 814 HG LEU 103 HG LEU 103 3.143 4.264 8.551 815 HD11 LEU 103 1HD1 LEU 103 4.230 6.700 8.947 816 HD12 LEU 103 2HD1 LEU 103 2.491 6.453 8.797 817 HD13 LEU 103 3HD1 LEU 103 3.429 6.996 7.406 818 HD21 LEU 103 3HD2 LEU 103 3.996 4.277 5.856 819 HD22 LEU 103 1HD2 LEU 103 2.896 5.646 6.019 820 HD23 LEU 103 2HD2 LEU 103 2.356 4.024 6.450 821 H LYS 104 H LYS 104 8.272 5.412 8.039 822 HA LYS 104 HA LYS 104 8.112 7.576 9.897 823 HB2 LYS 104 2HB LYS 104 10.664 6.399 8.793 824 HB3 LYS 104 1HB LYS 104 10.393 7.122 10.379 825 HG2 LYS 104 2HG LYS 104 8.695 5.241 10.776 826 HG3 LYS 104 1HG LYS 104 9.383 4.466 9.348 827 HD2 LYS 104 2HD LYS 104 11.654 4.675 10.437 828 HD3 LYS 104 1HD LYS 104 10.829 5.202 11.905 829 HE2 LYS 104 2HE LYS 104 10.769 2.982 12.400 830 HE3 LYS 104 1HE LYS 104 9.409 2.949 11.277 831 HZ1 LYS 104 3HZ LYS 104 12.164 2.677 10.276 832 HZ2 LYS 104 1HZ LYS 104 10.715 2.139 9.578 833 HZ3 LYS 104 2HZ LYS 104 11.360 1.331 10.926 834 H GLY 105 H GLY 105 9.258 7.174 6.609 835 HA2 GLY 105 2HA GLY 105 10.537 9.723 6.353 836 HA3 GLY 105 1HA GLY 105 10.049 8.650 5.044 837 H LEU 106 H LEU 106 7.381 8.409 5.392 838 HA LEU 106 HA LEU 106 6.417 10.796 4.211 839 HB2 LEU 106 2HB LEU 106 5.486 8.631 3.661 840 HB3 LEU 106 1HB LEU 106 4.929 8.413 5.314 841 HG LEU 106 HG LEU 106 3.997 10.953 4.358 842 HD11 LEU 106 1HD1 LEU 106 4.311 9.891 2.108 843 HD12 LEU 106 2HD1 LEU 106 2.625 10.261 2.474 844 HD13 LEU 106 3HD1 LEU 106 3.215 8.604 2.608 845 HD21 LEU 106 3HD2 LEU 106 2.969 9.578 6.137 846 HD22 LEU 106 1HD2 LEU 106 2.566 8.341 4.947 847 HD23 LEU 106 2HD2 LEU 106 1.805 9.929 4.861 848 H ARG 107 H ARG 107 6.008 9.383 7.434 849 HA ARG 107 HA ARG 107 4.170 11.347 8.308 850 HB2 ARG 107 2HB ARG 107 4.530 9.019 9.287 851 HB3 ARG 107 1HB ARG 107 5.887 9.729 10.143 852 HG2 ARG 107 2HG ARG 107 3.896 9.812 11.558 853 HG3 ARG 107 1HG ARG 107 4.375 11.447 11.100 854 HD2 ARG 107 2HD ARG 107 2.376 11.786 10.136 855 HD3 ARG 107 1HD ARG 107 2.643 10.408 9.074 856 HE ARG 107 HE ARG 107 1.223 9.171 10.426 857 HH11 ARG 107 1HH2 ARG 107 2.357 11.993 12.077 858 HH12 ARG 107 2HH2 ARG 107 1.341 11.763 13.459 859 HH21 ARG 107 1HH1 ARG 107 -0.112 8.859 12.239 860 HH22 ARG 107 2HH1 ARG 107 -0.057 9.988 13.553 861 H GLU 108 H GLU 108 7.622 11.250 8.270 862 HA GLU 108 HA GLU 108 8.067 13.303 10.213 863 HB2 GLU 108 2HB GLU 108 9.782 11.630 9.291 864 HB3 GLU 108 1HB GLU 108 9.891 12.694 7.888 865 HG2 GLU 108 2HG GLU 108 11.596 13.491 9.296 866 HG3 GLU 108 1HG GLU 108 10.255 14.587 9.627 867 H VAL 109 H VAL 109 8.110 13.259 6.693 868 HA VAL 109 HA VAL 109 8.365 16.014 6.215 869 HB VAL 109 HB VAL 109 7.148 15.322 4.016 870 HG11 VAL 109 1HG1 VAL 109 9.480 15.342 3.806 871 HG12 VAL 109 2HG1 VAL 109 9.149 13.619 3.582 872 HG13 VAL 109 3HG1 VAL 109 9.694 14.217 5.146 873 HG21 VAL 109 3HG2 VAL 109 7.144 12.762 5.561 874 HG22 VAL 109 1HG2 VAL 109 7.245 12.761 3.806 875 HG23 VAL 109 2HG2 VAL 109 5.867 13.503 4.615 876 H LEU 110 H LEU 110 5.591 13.903 6.637 877 HA LEU 110 HA LEU 110 3.546 15.838 6.385 878 HB2 LEU 110 2HB LEU 110 3.865 13.087 7.205 879 HB3 LEU 110 1HB LEU 110 2.658 13.876 8.151 880 HG LEU 110 HG LEU 110 1.503 14.582 6.086 881 HD11 LEU 110 1HD1 LEU 110 3.395 14.818 4.587 882 HD12 LEU 110 2HD1 LEU 110 2.295 13.622 3.917 883 HD13 LEU 110 3HD1 LEU 110 3.764 13.103 4.733 884 HD21 LEU 110 3HD2 LEU 110 0.856 12.319 5.297 885 HD22 LEU 110 1HD2 LEU 110 0.941 12.387 7.055 886 HD23 LEU 110 2HD2 LEU 110 2.246 11.646 6.140 887 H ARG 111 H ARG 111 5.747 14.981 8.953 888 HA ARG 111 HA ARG 111 4.414 16.068 11.168 889 HB2 ARG 111 2HB ARG 111 6.732 14.837 11.005 890 HB3 ARG 111 1HB ARG 111 7.370 16.468 10.802 891 HG2 ARG 111 2HG ARG 111 6.499 17.175 12.913 892 HG3 ARG 111 1HG ARG 111 5.514 15.720 13.070 893 HD2 ARG 111 2HD ARG 111 7.355 14.367 13.562 894 HD3 ARG 111 1HD ARG 111 8.496 15.471 12.800 895 HE ARG 111 HE ARG 111 8.457 16.808 14.760 896 HH11 ARG 111 1HH2 ARG 111 6.347 14.066 14.897 897 HH12 ARG 111 2HH2 ARG 111 6.125 14.151 16.612 898 HH21 ARG 111 1HH1 ARG 111 8.169 16.923 17.011 899 HH22 ARG 111 2HH1 ARG 111 7.154 15.766 17.807 900 H LEU 112 H LEU 112 6.304 17.500 8.575 901 HA LEU 112 HA LEU 112 6.380 20.160 9.560 902 HB2 LEU 112 2HB LEU 112 6.245 19.293 6.658 903 HB3 LEU 112 1HB LEU 112 6.899 20.806 7.288 904 HG LEU 112 HG LEU 112 8.025 18.020 7.574 905 HD11 LEU 112 1HD1 LEU 112 8.583 20.309 5.957 906 HD12 LEU 112 2HD1 LEU 112 9.451 18.774 6.006 907 HD13 LEU 112 3HD1 LEU 112 9.934 20.094 7.070 908 HD21 LEU 112 3HD2 LEU 112 9.731 19.182 9.099 909 HD22 LEU 112 1HD2 LEU 112 8.146 18.864 9.806 910 HD23 LEU 112 2HD2 LEU 112 8.552 20.486 9.247 911 H TYR 113 H TYR 113 4.015 18.186 7.963 912 HA TYR 113 HA TYR 113 2.051 20.419 8.081 913 HB2 TYR 113 2HB TYR 113 2.701 18.553 5.946 914 HB3 TYR 113 1HB TYR 113 1.002 18.437 6.402 915 HD1 TYR 113 2HD TYR 113 -0.435 20.497 6.401 916 HD2 TYR 113 1HD TYR 113 3.556 20.481 4.815 917 HE1 TYR 113 2HE TYR 113 -0.908 22.609 5.190 918 HE2 TYR 113 1HE TYR 113 3.084 22.592 3.602 919 HH TYR 113 HH TYR 113 1.156 24.637 4.154 920 HA PRO 114 HA PRO 114 0.990 17.196 11.251 921 HB2 PRO 114 2HB PRO 114 -0.208 19.516 12.615 922 HB3 PRO 114 1HB PRO 114 0.983 18.346 13.207 923 HG2 PRO 114 2HG PRO 114 1.618 20.886 12.613 924 HG3 PRO 114 1HG PRO 114 2.752 19.540 12.406 925 HD2 PRO 114 2HD PRO 114 1.176 21.012 10.327 926 HD3 PRO 114 1HD PRO 114 2.813 20.329 10.235 927 H GLU 115 H GLU 115 -1.212 19.818 10.148 928 HA GLU 115 HA GLU 115 -3.569 18.468 10.996 929 HB2 GLU 115 2HB GLU 115 -3.433 20.472 8.746 930 HB3 GLU 115 1HB GLU 115 -4.773 20.157 9.847 931 HG2 GLU 115 2HG GLU 115 -3.972 21.680 11.291 932 HG3 GLU 115 1HG GLU 115 -2.452 20.796 11.403 933 H TYR 116 H TYR 116 -2.138 18.858 7.761 934 HA TYR 116 HA TYR 116 -3.989 17.116 6.484 935 HB2 TYR 116 2HB TYR 116 -1.435 18.457 5.761 936 HB3 TYR 116 1HB TYR 116 -1.917 17.065 4.796 937 HD1 TYR 116 1HD TYR 116 -4.632 17.063 4.362 938 HD2 TYR 116 2HD TYR 116 -2.138 20.514 4.929 939 HE1 TYR 116 1HE TYR 116 -6.303 18.465 3.181 940 HE2 TYR 116 2HE TYR 116 -3.808 21.916 3.747 941 HH TYR 116 HH TYR 116 -6.217 21.866 3.238 942 H ALA 117 H ALA 117 -0.907 16.713 8.060 943 HA ALA 117 HA ALA 117 -0.219 14.168 7.174 944 HB1 ALA 117 1HB ALA 117 1.417 15.369 8.325 945 HB2 ALA 117 2HB ALA 117 0.974 14.085 9.456 946 HB3 ALA 117 3HB ALA 117 0.343 15.718 9.676 947 H GLN 118 H GLN 118 -1.780 14.982 10.275 948 HA GLN 118 HA GLN 118 -2.290 12.377 11.085 949 HB2 GLN 118 2HB GLN 118 -3.939 14.884 11.509 950 HB3 GLN 118 1HB GLN 118 -4.179 13.379 12.379 951 HG2 GLN 118 2HG GLN 118 -1.708 15.110 12.413 952 HG3 GLN 118 1HG GLN 118 -2.814 14.801 13.749 953 HE21 GLN 118 1HE2 GLN 118 -0.324 13.279 11.702 954 HE22 GLN 118 2HE2 GLN 118 -0.019 11.984 12.757 955 H LYS 119 H LYS 119 -3.868 14.427 8.767 956 HA LYS 119 HA LYS 119 -6.176 12.774 8.363 957 HB2 LYS 119 2HB LYS 119 -5.677 15.324 7.762 958 HB3 LYS 119 1HB LYS 119 -5.215 14.601 6.221 959 HG2 LYS 119 2HG LYS 119 -7.397 13.458 6.093 960 HG3 LYS 119 1HG LYS 119 -7.865 14.181 7.633 961 HD2 LYS 119 2HD LYS 119 -8.006 16.336 6.731 962 HD3 LYS 119 1HD LYS 119 -6.953 15.940 5.371 963 HE2 LYS 119 2HE LYS 119 -9.438 16.160 4.824 964 HE3 LYS 119 1HE LYS 119 -8.663 14.668 4.292 965 HZ1 LYS 119 3HZ LYS 119 -9.785 14.641 6.970 966 HZ2 LYS 119 1HZ LYS 119 -9.801 13.440 5.773 967 HZ3 LYS 119 2HZ LYS 119 -10.910 14.725 5.701 968 H PHE 120 H PHE 120 -2.889 12.771 7.105 969 HA PHE 120 HA PHE 120 -3.308 11.538 4.643 970 HB2 PHE 120 2HB PHE 120 -1.100 11.710 4.560 971 HB3 PHE 120 1HB PHE 120 -1.121 12.260 6.231 972 HD1 PHE 120 1HD PHE 120 -0.892 9.211 4.080 973 HD2 PHE 120 2HD PHE 120 -0.297 10.885 7.995 974 HE1 PHE 120 1HE PHE 120 0.350 7.196 4.752 975 HE2 PHE 120 2HE PHE 120 0.932 8.847 8.674 976 HZ PHE 120 HZ PHE 120 1.259 7.001 7.057 977 H VAL 121 H VAL 121 -2.957 10.010 7.829 978 HA VAL 121 HA VAL 121 -2.712 7.384 7.017 979 HB VAL 121 HB VAL 121 -3.663 6.754 9.180 980 HG11 VAL 121 1HG1 VAL 121 -1.679 8.912 8.856 981 HG12 VAL 121 2HG1 VAL 121 -1.561 7.400 9.756 982 HG13 VAL 121 3HG1 VAL 121 -2.367 8.794 10.476 983 HG21 VAL 121 3HG2 VAL 121 -5.577 8.071 9.474 984 HG22 VAL 121 1HG2 VAL 121 -4.739 9.559 9.040 985 HG23 VAL 121 2HG2 VAL 121 -4.445 8.807 10.607 986 H SER 122 H SER 122 -5.611 9.373 7.178 987 HA SER 122 HA SER 122 -7.352 7.139 6.513 988 HB2 SER 122 2HB SER 122 -8.157 8.904 8.021 989 HB3 SER 122 1HB SER 122 -7.936 10.100 6.747 990 HG SER 122 HG SER 122 -9.335 8.114 5.723 991 H GLU 123 H GLU 123 -5.733 9.776 4.893 992 HA GLU 123 HA GLU 123 -7.269 9.911 2.546 993 HB2 GLU 123 2HB GLU 123 -4.340 10.454 3.038 994 HB3 GLU 123 1HB GLU 123 -5.152 10.802 1.511 995 HG2 GLU 123 2HG GLU 123 -6.578 12.409 2.499 996 HG3 GLU 123 1HG GLU 123 -6.235 11.836 4.129 997 H ILE 124 H ILE 124 -4.416 7.895 3.299 998 HA ILE 124 HA ILE 124 -4.046 6.742 0.809 999 HB ILE 124 HB ILE 124 -2.805 6.505 3.161 1000 HG12 ILE 124 2HG1 ILE 124 -2.798 4.987 0.628 1001 HG13 ILE 124 1HG1 ILE 124 -1.477 5.781 1.478 1002 HG21 ILE 124 1HG2 ILE 124 -3.147 4.336 4.160 1003 HG22 ILE 124 2HG2 ILE 124 -4.279 3.868 2.898 1004 HG23 ILE 124 3HG2 ILE 124 -4.720 5.121 4.060 1005 HD11 ILE 124 3HD1 ILE 124 -2.652 3.045 2.032 1006 HD12 ILE 124 1HD1 ILE 124 -1.565 3.859 3.152 1007 HD13 ILE 124 2HD1 ILE 124 -1.002 3.427 1.540 1008 H GLN 125 H GLN 125 -6.284 5.837 3.406 1009 HA GLN 125 HA GLN 125 -7.153 3.369 2.651 1010 HB2 GLN 125 2HB GLN 125 -8.883 5.627 3.619 1011 HB3 GLN 125 1HB GLN 125 -9.238 3.902 3.745 1012 HG2 GLN 125 2HG GLN 125 -7.056 5.460 5.119 1013 HG3 GLN 125 1HG GLN 125 -8.311 4.464 5.814 1014 HE21 GLN 125 1HE2 GLN 125 -5.155 4.339 5.714 1015 HE22 GLN 125 2HE2 GLN 125 -4.877 2.699 5.378 1016 H HIS 126 H HIS 126 -7.892 6.419 1.089 1017 HA HIS 126 HA HIS 126 -10.112 5.634 -0.422 1018 HB2 HIS 126 2HB HIS 126 -9.623 7.927 -0.424 1019 HB3 HIS 126 1HB HIS 126 -7.952 7.645 -0.893 1020 HD1 HIS 126 1HD HIS 126 -7.435 7.530 -3.370 1021 HD2 HIS 126 2HD HIS 126 -11.529 7.417 -2.594 1022 HE1 HIS 126 1HE HIS 126 -8.594 7.702 -5.615 1023 HE2 HIS 126 2HE HIS 126 -11.091 7.634 -5.159 1024 H ASP 127 H ASP 127 -6.824 4.673 -0.650 1025 HA ASP 127 HA ASP 127 -7.382 3.419 -3.274 1026 HB2 ASP 127 2HB ASP 127 -4.687 4.299 -2.224 1027 HB3 ASP 127 1HB ASP 127 -5.040 3.648 -3.822 1028 H LEU 128 H LEU 128 -7.659 2.472 -0.375 1029 HA LEU 128 HA LEU 128 -5.663 0.459 0.018 1030 HB2 LEU 128 2HB LEU 128 -6.847 1.316 1.929 1031 HB3 LEU 128 1HB LEU 128 -8.402 0.866 1.230 1032 HG LEU 128 HG LEU 128 -7.768 -1.512 1.324 1033 HD11 LEU 128 1HD1 LEU 128 -5.161 -0.296 2.066 1034 HD12 LEU 128 2HD1 LEU 128 -5.497 -1.787 1.185 1035 HD13 LEU 128 3HD1 LEU 128 -5.612 -1.757 2.945 1036 HD21 LEU 128 3HD2 LEU 128 -7.960 0.254 3.670 1037 HD22 LEU 128 1HD2 LEU 128 -7.230 -1.312 4.021 1038 HD23 LEU 128 2HD2 LEU 128 -8.841 -1.230 3.307 1039 H THR 129 H THR 129 -5.443 -1.211 -1.355 1040 HA THR 129 HA THR 129 -7.882 -2.460 -2.451 1041 HB THR 129 HB THR 129 -5.057 -2.263 -3.426 1042 HG1 THR 129 1HG THR 129 -7.566 -1.494 -4.143 1043 HG21 THR 129 3HG2 THR 129 -6.940 -4.555 -3.764 1044 HG22 THR 129 1HG2 THR 129 -5.177 -4.546 -3.736 1045 HG23 THR 129 2HG2 THR 129 -6.042 -4.024 -5.182 1046 H TYR 130 H TYR 130 -4.671 -3.340 -1.116 1047 HA TYR 130 HA TYR 130 -5.949 -5.742 0.037 1048 HB2 TYR 130 2HB TYR 130 -4.339 -5.991 -2.090 1049 HB3 TYR 130 1HB TYR 130 -3.104 -5.938 -0.829 1050 HD1 TYR 130 2HD TYR 130 -6.039 -7.771 -2.123 1051 HD2 TYR 130 1HD TYR 130 -2.922 -7.721 0.840 1052 HE1 TYR 130 2HE TYR 130 -6.552 -10.126 -1.540 1053 HE2 TYR 130 1HE TYR 130 -3.438 -10.073 1.418 1054 HH TYR 130 HH TYR 130 -6.221 -11.739 0.043 1055 H ASN 131 H ASN 131 -5.800 -5.635 2.168 1056 HA ASN 131 HA ASN 131 -3.656 -4.046 3.375 1057 HB2 ASN 131 2HB ASN 131 -5.007 -3.782 5.233 1058 HB3 ASN 131 1HB ASN 131 -6.213 -3.903 3.955 1059 HD21 ASN 131 1HD2 ASN 131 -5.440 -5.115 6.986 1060 HD22 ASN 131 2HD2 ASN 131 -6.309 -6.571 6.914 1061 H LEU 132 H LEU 132 -1.833 -5.162 3.717 1062 HA LEU 132 HA LEU 132 -1.908 -8.002 4.296 1063 HB2 LEU 132 2HB LEU 132 -0.122 -7.132 2.885 1064 HB3 LEU 132 1HB LEU 132 0.380 -6.015 4.149 1065 HG LEU 132 HG LEU 132 1.693 -8.242 3.876 1066 HD11 LEU 132 1HD1 LEU 132 0.904 -8.191 6.690 1067 HD12 LEU 132 2HD1 LEU 132 1.216 -6.577 6.051 1068 HD13 LEU 132 3HD1 LEU 132 2.462 -7.819 5.954 1069 HD21 LEU 132 3HD2 LEU 132 0.755 -10.187 4.912 1070 HD22 LEU 132 1HD2 LEU 132 -0.468 -9.585 3.795 1071 HD23 LEU 132 2HD2 LEU 132 -0.624 -9.278 5.524 1072 H ARG 133 H ARG 133 -2.352 -8.688 6.301 1073 HA ARG 133 HA ARG 133 -1.689 -6.958 8.592 1074 HB2 ARG 133 2HB ARG 133 -3.614 -9.272 8.312 1075 HB3 ARG 133 1HB ARG 133 -3.271 -8.455 9.837 1076 HG2 ARG 133 2HG ARG 133 -3.786 -6.391 8.001 1077 HG3 ARG 133 1HG ARG 133 -5.008 -7.620 7.671 1078 HD2 ARG 133 2HD ARG 133 -5.681 -5.953 9.431 1079 HD3 ARG 133 1HD ARG 133 -5.727 -7.630 9.963 1080 HE ARG 133 HE ARG 133 -3.208 -6.350 10.532 1081 HH11 ARG 133 1HH2 ARG 133 -6.482 -6.823 11.548 1082 HH12 ARG 133 2HH2 ARG 133 -6.154 -6.519 13.221 1083 HH21 ARG 133 1HH1 ARG 133 -2.768 -5.950 12.725 1084 HH22 ARG 133 2HH1 ARG 133 -4.049 -6.024 13.889 1085 H GLU 134 H GLU 134 -0.720 -7.833 10.466 1086 HA GLU 134 HA GLU 134 1.394 -9.664 9.928 1087 HB2 GLU 134 2HB GLU 134 1.697 -9.500 12.477 1088 HB3 GLU 134 1HB GLU 134 1.874 -8.013 11.547 1089 HG2 GLU 134 2HG GLU 134 -0.272 -7.231 12.173 1090 HG3 GLU 134 1HG GLU 134 -0.781 -8.826 12.726 1091 H GLY 135 H GLY 135 1.704 -11.760 10.626 1092 HA2 GLY 135 2HA GLY 135 1.164 -13.848 11.486 1093 HA3 GLY 135 1HA GLY 135 -0.274 -13.142 12.216 Start of MODEL 3 1 H1 MET 1 H MET 1 5.079 18.812 -11.189 2 HA MET 1 HA MET 1 4.527 18.673 -13.601 3 HB2 MET 1 2HB MET 1 7.495 18.246 -13.639 4 HB3 MET 1 1HB MET 1 6.498 17.571 -14.930 5 HG2 MET 1 2HG MET 1 5.598 19.770 -15.451 6 HG3 MET 1 1HG MET 1 6.445 20.480 -14.077 7 HE1 MET 1 3HE MET 1 6.850 18.512 -17.425 8 HE2 MET 1 1HE MET 1 7.913 19.664 -18.247 9 HE3 MET 1 2HE MET 1 6.345 20.187 -17.634 10 H ASN 2 H ASN 2 6.935 16.366 -12.314 11 HA ASN 2 HA ASN 2 5.491 14.074 -13.196 12 HB2 ASN 2 2HB ASN 2 8.030 14.426 -12.471 13 HB3 ASN 2 1HB ASN 2 7.404 13.876 -10.918 14 HD21 ASN 2 1HD2 ASN 2 6.813 11.653 -10.716 15 HD22 ASN 2 2HD2 ASN 2 7.012 10.529 -11.972 16 H LYS 3 H LYS 3 4.002 12.835 -12.183 17 HA LYS 3 HA LYS 3 3.242 13.604 -9.428 18 HB2 LYS 3 2HB LYS 3 0.910 12.835 -10.141 19 HB3 LYS 3 1HB LYS 3 1.472 14.368 -10.809 20 HG2 LYS 3 2HG LYS 3 1.713 13.514 -12.934 21 HG3 LYS 3 1HG LYS 3 2.108 11.896 -12.351 22 HD2 LYS 3 2HD LYS 3 -0.072 11.747 -13.339 23 HD3 LYS 3 1HD LYS 3 -0.312 11.705 -11.592 24 HE2 LYS 3 2HE LYS 3 -0.283 14.419 -12.742 25 HE3 LYS 3 1HE LYS 3 -1.622 13.412 -13.294 26 HZ1 LYS 3 3HZ LYS 3 -1.234 14.636 -10.769 27 HZ2 LYS 3 1HZ LYS 3 -1.387 12.958 -10.582 28 HZ3 LYS 3 2HZ LYS 3 -2.607 13.838 -11.373 29 H GLU 4 H GLU 4 4.760 11.900 -8.786 30 HA GLU 4 HA GLU 4 4.489 9.199 -9.525 31 HB2 GLU 4 2HB GLU 4 5.484 10.420 -6.941 32 HB3 GLU 4 1HB GLU 4 5.682 8.726 -7.392 33 HG2 GLU 4 2HG GLU 4 7.612 9.380 -8.374 34 HG3 GLU 4 1HG GLU 4 6.586 10.061 -9.637 35 H LEU 5 H LEU 5 3.972 7.540 -7.613 36 HA LEU 5 HA LEU 5 1.278 7.264 -7.383 37 HB2 LEU 5 2HB LEU 5 2.904 5.530 -6.711 38 HB3 LEU 5 1HB LEU 5 3.270 6.460 -5.260 39 HG LEU 5 HG LEU 5 1.566 4.552 -5.017 40 HD11 LEU 5 1HD1 LEU 5 1.731 7.102 -3.832 41 HD12 LEU 5 2HD1 LEU 5 1.065 5.634 -3.134 42 HD13 LEU 5 3HD1 LEU 5 0.016 6.741 -4.016 43 HD21 LEU 5 3HD2 LEU 5 0.357 5.311 -7.171 44 HD22 LEU 5 1HD2 LEU 5 -0.377 6.554 -6.156 45 HD23 LEU 5 2HD2 LEU 5 -0.641 4.851 -5.795 46 H LEU 6 H LEU 6 3.309 9.378 -5.510 47 HA LEU 6 HA LEU 6 1.708 9.856 -3.300 48 HB2 LEU 6 2HB LEU 6 2.674 12.186 -3.341 49 HB3 LEU 6 1HB LEU 6 3.856 10.874 -3.370 50 HG LEU 6 HG LEU 6 3.611 11.115 -5.989 51 HD11 LEU 6 1HD1 LEU 6 1.877 12.728 -6.144 52 HD12 LEU 6 2HD1 LEU 6 3.353 13.634 -6.474 53 HD13 LEU 6 3HD1 LEU 6 2.591 13.737 -4.886 54 HD21 LEU 6 3HD2 LEU 6 5.170 12.849 -4.078 55 HD22 LEU 6 1HD2 LEU 6 5.378 13.018 -5.822 56 HD23 LEU 6 2HD2 LEU 6 5.736 11.481 -5.034 57 H GLN 7 H GLN 7 0.378 9.814 -6.163 58 HA GLN 7 HA GLN 7 -0.885 12.309 -6.489 59 HB2 GLN 7 2HB GLN 7 -0.806 10.201 -8.057 60 HB3 GLN 7 1HB GLN 7 -2.272 9.744 -7.188 61 HG2 GLN 7 2HG GLN 7 -2.733 12.402 -7.726 62 HG3 GLN 7 1HG GLN 7 -1.856 11.884 -9.166 63 HE21 GLN 7 1HE2 GLN 7 -2.804 10.061 -10.422 64 HE22 GLN 7 2HE2 GLN 7 -4.459 9.714 -10.288 65 H LEU 8 H LEU 8 -1.087 9.998 -4.061 66 HA LEU 8 HA LEU 8 -3.817 10.076 -3.351 67 HB2 LEU 8 2HB LEU 8 -1.273 9.515 -1.868 68 HB3 LEU 8 1HB LEU 8 -2.788 9.657 -0.978 69 HG LEU 8 HG LEU 8 -2.554 7.878 -3.405 70 HD11 LEU 8 1HD1 LEU 8 -2.284 6.867 -0.581 71 HD12 LEU 8 2HD1 LEU 8 -0.859 7.397 -1.475 72 HD13 LEU 8 3HD1 LEU 8 -1.841 6.070 -2.088 73 HD21 LEU 8 3HD2 LEU 8 -4.385 6.693 -1.990 74 HD22 LEU 8 1HD2 LEU 8 -4.815 8.200 -2.799 75 HD23 LEU 8 2HD2 LEU 8 -4.445 8.199 -1.075 76 HA PRO 9 HA PRO 9 -4.751 14.127 -1.893 77 HB2 PRO 9 2HB PRO 9 -5.543 12.752 0.640 78 HB3 PRO 9 1HB PRO 9 -6.436 13.937 -0.331 79 HG2 PRO 9 2HG PRO 9 -6.990 11.319 -0.404 80 HG3 PRO 9 1HG PRO 9 -7.170 12.372 -1.817 81 HD2 PRO 9 2HD PRO 9 -5.164 10.259 -1.317 82 HD3 PRO 9 1HD PRO 9 -5.689 10.985 -2.852 83 H LEU 10 H LEU 10 -2.538 12.101 -0.133 84 HA LEU 10 HA LEU 10 -1.934 13.634 2.069 85 HB2 LEU 10 2HB LEU 10 0.567 12.828 1.387 86 HB3 LEU 10 1HB LEU 10 -0.589 11.905 2.342 87 HG LEU 10 HG LEU 10 -1.363 11.290 -0.237 88 HD11 LEU 10 1HD1 LEU 10 0.824 12.644 -0.770 89 HD12 LEU 10 2HD1 LEU 10 0.464 11.144 -1.648 90 HD13 LEU 10 3HD1 LEU 10 1.618 11.126 -0.313 91 HD21 LEU 10 3HD2 LEU 10 -0.602 9.127 0.280 92 HD22 LEU 10 1HD2 LEU 10 -0.829 9.851 1.876 93 HD23 LEU 10 2HD2 LEU 10 0.791 9.738 1.175 94 H PHE 11 H PHE 11 -0.462 13.951 -1.150 95 HA PHE 11 HA PHE 11 0.841 16.359 -0.207 96 HB2 PHE 11 2HB PHE 11 2.277 16.284 -2.012 97 HB3 PHE 11 1HB PHE 11 1.983 14.573 -1.678 98 HD1 PHE 11 1HD PHE 11 -0.456 13.926 -2.663 99 HD2 PHE 11 2HD PHE 11 2.254 16.737 -4.365 100 HE1 PHE 11 1HE PHE 11 -1.536 13.597 -4.877 101 HE2 PHE 11 2HE PHE 11 1.213 16.419 -6.593 102 HZ PHE 11 HZ PHE 11 -0.691 14.845 -6.851 103 H GLU 12 H GLU 12 -1.521 15.348 -2.620 104 HA GLU 12 HA GLU 12 -1.906 17.768 -3.952 105 HB2 GLU 12 2HB GLU 12 -2.912 15.663 -4.710 106 HB3 GLU 12 1HB GLU 12 -3.950 15.640 -3.286 107 HG2 GLU 12 2HG GLU 12 -5.019 16.551 -5.404 108 HG3 GLU 12 1HG GLU 12 -5.125 17.572 -3.974 109 H SER 13 H SER 13 -3.307 16.561 -0.942 110 HA SER 13 HA SER 13 -4.964 18.901 -0.572 111 HB2 SER 13 2HB SER 13 -5.407 16.510 0.306 112 HB3 SER 13 1HB SER 13 -4.250 16.911 1.571 113 HG SER 13 HG SER 13 -6.766 18.028 1.000 114 H ALA 14 H ALA 14 -1.705 18.300 -0.275 115 HA ALA 14 HA ALA 14 -1.358 20.221 1.937 116 HB1 ALA 14 1HB ALA 14 -0.226 17.779 1.672 117 HB2 ALA 14 2HB ALA 14 0.561 19.123 2.499 118 HB3 ALA 14 3HB ALA 14 0.965 18.763 0.812 119 H SER 15 H SER 15 0.725 21.511 1.659 120 HA SER 15 HA SER 15 0.556 22.953 -0.837 121 HB2 SER 15 2HB SER 15 1.198 23.791 1.622 122 HB3 SER 15 1HB SER 15 2.818 23.374 1.070 123 HG SER 15 HG SER 15 1.044 25.334 0.174 124 H ARG 16 H ARG 16 2.258 23.041 -2.398 125 HA ARG 16 HA ARG 16 3.359 20.639 -3.111 126 HB2 ARG 16 2HB ARG 16 3.932 23.457 -3.774 127 HB3 ARG 16 1HB ARG 16 5.282 22.353 -4.039 128 HG2 ARG 16 2HG ARG 16 4.019 22.356 -6.066 129 HG3 ARG 16 1HG ARG 16 3.640 20.837 -5.264 130 HD2 ARG 16 2HD ARG 16 1.499 21.518 -4.697 131 HD3 ARG 16 1HD ARG 16 1.939 23.223 -4.678 132 HE ARG 16 HE ARG 16 2.163 22.228 -7.319 133 HH11 ARG 16 1HH2 ARG 16 -0.163 22.998 -4.873 134 HH12 ARG 16 2HH2 ARG 16 -1.418 23.397 -5.998 135 HH21 ARG 16 1HH1 ARG 16 0.522 22.753 -8.800 136 HH22 ARG 16 2HH1 ARG 16 -1.030 23.260 -8.221 137 H GLY 17 H GLY 17 4.232 22.706 -0.548 138 HA2 GLY 17 2HA GLY 17 6.938 22.080 -0.150 139 HA3 GLY 17 1HA GLY 17 5.806 22.540 1.120 140 H CYS 18 H CYS 18 3.955 20.400 0.891 141 HA CYS 18 HA CYS 18 5.345 18.369 2.366 142 HB2 CYS 18 2HB CYS 18 2.697 19.093 2.080 143 HB3 CYS 18 1HB CYS 18 2.775 17.575 1.168 144 HG CYS 18 HG CYS 18 2.386 16.913 3.653 145 H LEU 19 H LEU 19 4.377 18.854 -0.965 146 HA LEU 19 HA LEU 19 4.772 16.188 -1.821 147 HB2 LEU 19 2HB LEU 19 3.630 17.919 -3.191 148 HB3 LEU 19 1HB LEU 19 5.178 18.729 -3.420 149 HG LEU 19 HG LEU 19 6.078 16.879 -4.636 150 HD11 LEU 19 1HD1 LEU 19 3.703 15.396 -3.511 151 HD12 LEU 19 2HD1 LEU 19 5.409 14.943 -3.507 152 HD13 LEU 19 3HD1 LEU 19 4.478 14.842 -4.998 153 HD21 LEU 19 3HD2 LEU 19 3.601 18.124 -5.414 154 HD22 LEU 19 1HD2 LEU 19 3.649 16.478 -6.048 155 HD23 LEU 19 2HD2 LEU 19 4.944 17.612 -6.435 156 H ARG 20 H ARG 20 6.936 18.952 -1.474 157 HA ARG 20 HA ARG 20 9.244 17.621 -2.539 158 HB2 ARG 20 2HB ARG 20 9.513 19.926 -2.588 159 HB3 ARG 20 1HB ARG 20 8.743 20.161 -1.026 160 HG2 ARG 20 2HG ARG 20 11.373 18.724 -1.282 161 HG3 ARG 20 1HG ARG 20 11.267 20.476 -1.129 162 HD2 ARG 20 2HD ARG 20 9.562 19.407 0.855 163 HD3 ARG 20 1HD ARG 20 11.060 18.485 0.937 164 HE ARG 20 HE ARG 20 11.945 21.047 0.810 165 HH11 ARG 20 1HH2 ARG 20 9.580 19.404 2.727 166 HH12 ARG 20 2HH2 ARG 20 9.785 20.429 4.108 167 HH21 ARG 20 1HH1 ARG 20 12.220 22.395 2.615 168 HH22 ARG 20 2HH1 ARG 20 11.281 22.122 4.045 169 H SER 21 H SER 21 7.677 17.948 0.537 170 HA SER 21 HA SER 21 9.684 16.937 2.279 171 HB2 SER 21 2HB SER 21 6.706 16.662 2.586 172 HB3 SER 21 1HB SER 21 7.922 16.847 3.853 173 HG SER 21 HG SER 21 7.839 18.818 1.915 174 H LEU 22 H LEU 22 6.881 15.298 0.790 175 HA LEU 22 HA LEU 22 7.595 12.706 1.635 176 HB2 LEU 22 2HB LEU 22 5.576 13.889 0.021 177 HB3 LEU 22 1HB LEU 22 6.320 12.590 -0.913 178 HG LEU 22 HG LEU 22 6.092 11.139 1.166 179 HD11 LEU 22 1HD1 LEU 22 4.985 11.891 2.989 180 HD12 LEU 22 2HD1 LEU 22 3.835 12.829 2.038 181 HD13 LEU 22 3HD1 LEU 22 5.435 13.486 2.386 182 HD21 LEU 22 3HD2 LEU 22 3.522 11.002 0.769 183 HD22 LEU 22 1HD2 LEU 22 4.619 10.622 -0.561 184 HD23 LEU 22 2HD2 LEU 22 3.829 12.205 -0.483 185 H SER 23 H SER 23 8.049 14.312 -1.522 186 HA SER 23 HA SER 23 9.489 12.276 -2.701 187 HB2 SER 23 2HB SER 23 9.058 13.653 -4.367 188 HB3 SER 23 1HB SER 23 8.984 15.064 -3.303 189 HG SER 23 HG SER 23 11.123 13.971 -4.711 190 H LEU 24 H LEU 24 10.537 14.680 -0.430 191 HA LEU 24 HA LEU 24 13.312 14.457 -0.804 192 HB2 LEU 24 2HB LEU 24 11.535 15.589 1.133 193 HB3 LEU 24 1HB LEU 24 12.789 14.670 1.964 194 HG LEU 24 HG LEU 24 13.382 17.070 1.488 195 HD11 LEU 24 1HD1 LEU 24 14.990 15.020 1.716 196 HD12 LEU 24 2HD1 LEU 24 15.635 16.552 1.126 197 HD13 LEU 24 3HD1 LEU 24 15.248 15.260 -0.012 198 HD21 LEU 24 3HD2 LEU 24 12.419 16.459 -1.054 199 HD22 LEU 24 1HD2 LEU 24 14.167 16.540 -1.263 200 HD23 LEU 24 2HD2 LEU 24 13.294 17.920 -0.599 201 H ILE 25 H ILE 25 10.924 12.419 0.768 202 HA ILE 25 HA ILE 25 13.083 10.479 1.346 203 HB ILE 25 HB ILE 25 11.752 11.446 3.328 204 HG12 ILE 25 2HG1 ILE 25 11.407 8.673 3.778 205 HG13 ILE 25 1HG1 ILE 25 12.738 8.809 2.672 206 HG21 ILE 25 1HG2 ILE 25 9.833 9.280 2.882 207 HG22 ILE 25 2HG2 ILE 25 9.596 10.659 1.792 208 HG23 ILE 25 3HG2 ILE 25 9.547 10.889 3.545 209 HD11 ILE 25 3HD1 ILE 25 13.807 9.003 4.752 210 HD12 ILE 25 1HD1 ILE 25 12.464 9.912 5.453 211 HD13 ILE 25 2HD1 ILE 25 13.562 10.693 4.309 212 H ILE 26 H ILE 26 11.308 10.831 -1.129 213 HA ILE 26 HA ILE 26 9.508 8.683 -1.250 214 HB ILE 26 HB ILE 26 10.726 10.634 -3.054 215 HG12 ILE 26 2HG1 ILE 26 8.322 10.526 -2.166 216 HG13 ILE 26 1HG1 ILE 26 8.518 10.818 -3.895 217 HG21 ILE 26 1HG2 ILE 26 10.089 7.902 -4.018 218 HG22 ILE 26 2HG2 ILE 26 11.576 8.795 -4.274 219 HG23 ILE 26 3HG2 ILE 26 10.091 9.285 -5.096 220 HD11 ILE 26 3HD1 ILE 26 6.975 8.839 -2.796 221 HD12 ILE 26 1HD1 ILE 26 8.465 7.999 -3.224 222 HD13 ILE 26 2HD1 ILE 26 7.570 8.889 -4.456 223 H LYS 27 H LYS 27 9.825 6.531 -1.579 224 HA LYS 27 HA LYS 27 12.546 5.703 -2.425 225 HB2 LYS 27 2HB LYS 27 10.789 4.022 -0.636 226 HB3 LYS 27 1HB LYS 27 12.501 3.823 -0.984 227 HG2 LYS 27 2HG LYS 27 11.705 6.434 0.192 228 HG3 LYS 27 1HG LYS 27 11.599 5.033 1.255 229 HD2 LYS 27 2HD LYS 27 13.888 4.584 1.117 230 HD3 LYS 27 1HD LYS 27 14.064 5.446 -0.412 231 HE2 LYS 27 2HE LYS 27 13.466 6.753 2.258 232 HE3 LYS 27 1HE LYS 27 15.049 6.714 1.484 233 HZ1 LYS 27 3HZ LYS 27 13.902 7.774 -0.485 234 HZ2 LYS 27 1HZ LYS 27 14.110 8.754 0.884 235 HZ3 LYS 27 2HZ LYS 27 12.590 8.070 0.555 236 H THR 28 H THR 28 12.640 3.690 -3.650 237 HA THR 28 HA THR 28 10.080 3.006 -4.954 238 HB THR 28 HB THR 28 11.155 2.982 -7.124 239 HG1 THR 28 1HG THR 28 13.256 2.432 -6.157 240 HG21 THR 28 3HG2 THR 28 10.679 5.276 -5.573 241 HG22 THR 28 1HG2 THR 28 10.777 5.189 -7.333 242 HG23 THR 28 2HG2 THR 28 12.215 5.575 -6.388 243 H SER 29 H SER 29 9.794 0.899 -5.534 244 HA SER 29 HA SER 29 12.002 -0.998 -5.061 245 HB2 SER 29 2HB SER 29 10.158 -2.523 -4.063 246 HB3 SER 29 1HB SER 29 10.817 -1.246 -3.040 247 HG SER 29 HG SER 29 8.793 -0.678 -2.891 248 H PHE 30 H PHE 30 11.975 -2.806 -6.428 249 HA PHE 30 HA PHE 30 9.768 -2.906 -8.387 250 HB2 PHE 30 2HB PHE 30 11.867 -3.645 -9.922 251 HB3 PHE 30 1HB PHE 30 11.252 -1.994 -9.833 252 HD1 PHE 30 2HD PHE 30 12.282 -0.396 -8.129 253 HD2 PHE 30 1HD PHE 30 14.040 -4.177 -9.156 254 HE1 PHE 30 2HE PHE 30 14.453 0.361 -7.200 255 HE2 PHE 30 1HE PHE 30 16.212 -3.419 -8.228 256 HZ PHE 30 HZ PHE 30 16.418 -1.149 -7.250 257 H CYS 31 H CYS 31 9.160 -4.900 -9.116 258 HA CYS 31 HA CYS 31 10.628 -7.230 -8.034 259 HB2 CYS 31 2HB CYS 31 7.625 -7.070 -8.339 260 HB3 CYS 31 1HB CYS 31 8.562 -8.369 -7.593 261 HG CYS 31 HG CYS 31 7.935 -5.632 -6.299 262 H ALA 32 H ALA 32 10.533 -9.144 -9.284 263 HA ALA 32 HA ALA 32 9.957 -8.655 -12.138 264 HB1 ALA 32 1HB ALA 32 11.573 -10.902 -11.979 265 HB2 ALA 32 2HB ALA 32 12.182 -9.869 -10.688 266 HB3 ALA 32 3HB ALA 32 12.120 -9.265 -12.347 267 HA PRO 33 HA PRO 33 7.098 -12.027 -12.367 268 HB2 PRO 33 2HB PRO 33 8.712 -13.505 -14.353 269 HB3 PRO 33 1HB PRO 33 7.100 -12.791 -14.525 270 HG2 PRO 33 2HG PRO 33 9.278 -11.759 -15.714 271 HG3 PRO 33 1HG PRO 33 7.920 -10.762 -15.167 272 HD2 PRO 33 2HD PRO 33 10.616 -11.120 -13.922 273 HD3 PRO 33 1HD PRO 33 9.572 -9.683 -13.972 274 H GLY 34 H GLY 34 6.861 -13.629 -10.888 275 HA2 GLY 34 2HA GLY 34 7.290 -15.529 -9.645 276 HA3 GLY 34 1HA GLY 34 8.614 -15.885 -10.753 277 H GLU 35 H GLU 35 8.978 -12.761 -9.692 278 HA GLU 35 HA GLU 35 11.271 -13.420 -8.099 279 HB2 GLU 35 2HB GLU 35 10.691 -11.307 -9.617 280 HB3 GLU 35 1HB GLU 35 10.204 -10.683 -8.049 281 HG2 GLU 35 2HG GLU 35 12.450 -10.113 -8.067 282 HG3 GLU 35 1HG GLU 35 12.480 -11.676 -7.258 283 H PHE 36 H PHE 36 11.416 -13.703 -5.980 284 HA PHE 36 HA PHE 36 9.028 -13.383 -4.338 285 HB2 PHE 36 2HB PHE 36 11.665 -14.362 -3.300 286 HB3 PHE 36 1HB PHE 36 10.033 -14.830 -2.822 287 HD1 PHE 36 1HD PHE 36 8.658 -16.292 -4.296 288 HD2 PHE 36 2HD PHE 36 12.764 -15.392 -5.184 289 HE1 PHE 36 1HE PHE 36 8.726 -18.180 -5.904 290 HE2 PHE 36 2HE PHE 36 12.831 -17.279 -6.791 291 HZ PHE 36 HZ PHE 36 10.812 -18.673 -7.151 292 H LEU 37 H LEU 37 8.634 -11.525 -3.356 293 HA LEU 37 HA LEU 37 10.824 -9.694 -2.717 294 HB2 LEU 37 2HB LEU 37 8.391 -9.202 -3.763 295 HB3 LEU 37 1HB LEU 37 8.034 -8.975 -2.051 296 HG LEU 37 HG LEU 37 9.969 -7.420 -1.884 297 HD11 LEU 37 1HD1 LEU 37 10.505 -6.614 -4.435 298 HD12 LEU 37 2HD1 LEU 37 10.297 -8.348 -4.676 299 HD13 LEU 37 3HD1 LEU 37 11.507 -7.755 -3.538 300 HD21 LEU 37 3HD2 LEU 37 7.548 -7.007 -3.529 301 HD22 LEU 37 1HD2 LEU 37 8.815 -5.801 -3.769 302 HD23 LEU 37 2HD2 LEU 37 8.151 -6.071 -2.159 303 H ILE 38 H ILE 38 8.085 -11.281 -1.017 304 HA ILE 38 HA ILE 38 9.565 -10.891 1.465 305 HB ILE 38 HB ILE 38 7.144 -9.704 0.903 306 HG12 ILE 38 2HG1 ILE 38 7.173 -9.952 3.653 307 HG13 ILE 38 1HG1 ILE 38 8.871 -10.138 3.234 308 HG21 ILE 38 1HG2 ILE 38 6.706 -12.077 2.702 309 HG22 ILE 38 2HG2 ILE 38 6.059 -11.923 1.078 310 HG23 ILE 38 3HG2 ILE 38 5.521 -10.828 2.338 311 HD11 ILE 38 3HD1 ILE 38 7.071 -7.790 2.797 312 HD12 ILE 38 1HD1 ILE 38 8.349 -8.101 1.612 313 HD13 ILE 38 2HD1 ILE 38 8.761 -7.827 3.311 314 H ARG 39 H ARG 39 9.265 -12.424 3.101 315 HA ARG 39 HA ARG 39 8.179 -14.998 2.180 316 HB2 ARG 39 2HB ARG 39 10.607 -15.036 1.905 317 HB3 ARG 39 1HB ARG 39 10.785 -14.542 3.571 318 HG2 ARG 39 2HG ARG 39 11.090 -16.919 3.519 319 HG3 ARG 39 1HG ARG 39 9.521 -16.591 4.253 320 HD2 ARG 39 2HD ARG 39 8.448 -17.687 2.602 321 HD3 ARG 39 1HD ARG 39 9.280 -16.725 1.380 322 HE ARG 39 HE ARG 39 11.076 -18.655 2.377 323 HH11 ARG 39 1HH2 ARG 39 8.152 -18.393 0.544 324 HH12 ARG 39 2HH2 ARG 39 8.443 -19.827 -0.382 325 HH21 ARG 39 1HH1 ARG 39 11.462 -20.535 1.170 326 HH22 ARG 39 2HH1 ARG 39 10.318 -21.041 -0.027 327 H GLN 40 H GLN 40 6.477 -15.221 3.463 328 HA GLN 40 HA GLN 40 5.349 -14.416 5.555 329 HB2 GLN 40 2HB GLN 40 4.591 -16.544 5.152 330 HB3 GLN 40 1HB GLN 40 6.209 -17.229 5.114 331 HG2 GLN 40 2HG GLN 40 6.337 -17.410 7.431 332 HG3 GLN 40 1HG GLN 40 5.156 -16.131 7.701 333 HE21 GLN 40 1HE2 GLN 40 5.551 -19.532 7.531 334 HE22 GLN 40 2HE2 GLN 40 3.905 -19.948 7.503 335 H GLY 41 H GLY 41 5.695 -13.566 7.489 336 HA2 GLY 41 2HA GLY 41 6.579 -13.374 9.645 337 HA3 GLY 41 1HA GLY 41 7.793 -14.576 9.231 338 H ASP 42 H ASP 42 7.602 -12.268 6.813 339 HA ASP 42 HA ASP 42 10.205 -11.251 7.387 340 HB2 ASP 42 2HB ASP 42 8.225 -10.994 5.253 341 HB3 ASP 42 1HB ASP 42 9.129 -9.508 5.545 342 H ALA 43 H ALA 43 10.363 -8.671 7.059 343 HA ALA 43 HA ALA 43 8.706 -7.520 9.221 344 HB1 ALA 43 1HB ALA 43 11.583 -7.091 8.445 345 HB2 ALA 43 2HB ALA 43 10.928 -7.570 10.012 346 HB3 ALA 43 3HB ALA 43 10.707 -5.918 9.431 347 H LEU 44 H LEU 44 7.213 -6.204 8.413 348 HA LEU 44 HA LEU 44 7.706 -4.750 5.918 349 HB2 LEU 44 2HB LEU 44 5.548 -6.032 6.430 350 HB3 LEU 44 1HB LEU 44 5.170 -4.709 7.537 351 HG LEU 44 HG LEU 44 6.069 -3.524 5.115 352 HD11 LEU 44 1HD1 LEU 44 5.521 -5.776 4.124 353 HD12 LEU 44 2HD1 LEU 44 4.576 -4.444 3.458 354 HD13 LEU 44 3HD1 LEU 44 3.852 -5.534 4.643 355 HD21 LEU 44 3HD2 LEU 44 3.888 -2.507 5.150 356 HD22 LEU 44 1HD2 LEU 44 4.404 -2.705 6.825 357 HD23 LEU 44 2HD2 LEU 44 3.231 -3.822 6.126 358 H GLN 45 H GLN 45 8.387 -2.707 5.931 359 HA GLN 45 HA GLN 45 7.823 -1.062 8.322 360 HB2 GLN 45 2HB GLN 45 10.369 -1.598 6.903 361 HB3 GLN 45 1HB GLN 45 10.084 0.074 7.388 362 HG2 GLN 45 2HG GLN 45 9.923 -0.487 9.671 363 HG3 GLN 45 1HG GLN 45 9.640 -2.192 9.324 364 HE21 GLN 45 1HE2 GLN 45 11.464 -3.553 9.253 365 HE22 GLN 45 2HE2 GLN 45 13.066 -2.996 9.318 366 H ALA 46 H ALA 46 8.121 -1.231 4.833 367 HA ALA 46 HA ALA 46 7.064 1.526 4.658 368 HB1 ALA 46 1HB ALA 46 9.166 1.549 3.593 369 HB2 ALA 46 2HB ALA 46 8.009 1.392 2.273 370 HB3 ALA 46 3HB ALA 46 8.898 -0.022 2.837 371 H ILE 47 H ILE 47 5.642 1.954 2.824 372 HA ILE 47 HA ILE 47 3.858 -0.341 2.295 373 HB ILE 47 HB ILE 47 2.648 1.412 3.362 374 HG12 ILE 47 2HG1 ILE 47 1.887 2.311 0.677 375 HG13 ILE 47 1HG1 ILE 47 2.036 0.557 0.790 376 HG21 ILE 47 1HG2 ILE 47 3.725 3.351 1.300 377 HG22 ILE 47 2HG2 ILE 47 4.451 3.141 2.894 378 HG23 ILE 47 3HG2 ILE 47 2.796 3.730 2.749 379 HD11 ILE 47 3HD1 ILE 47 0.533 2.130 2.879 380 HD12 ILE 47 1HD1 ILE 47 0.419 0.410 2.506 381 HD13 ILE 47 2HD1 ILE 47 -0.253 1.600 1.391 382 H TYR 48 H TYR 48 3.387 -0.943 0.205 383 HA TYR 48 HA TYR 48 4.884 0.489 -1.916 384 HB2 TYR 48 2HB TYR 48 3.990 -2.388 -2.076 385 HB3 TYR 48 1HB TYR 48 5.137 -1.551 -3.110 386 HD1 TYR 48 1HD TYR 48 4.681 -2.227 0.564 387 HD2 TYR 48 2HD TYR 48 7.363 -2.035 -2.776 388 HE1 TYR 48 1HE TYR 48 6.538 -2.982 2.019 389 HE2 TYR 48 2HE TYR 48 9.226 -2.789 -1.324 390 HH TYR 48 HH TYR 48 9.847 -3.329 0.735 391 H PHE 49 H PHE 49 3.999 0.589 -3.991 392 HA PHE 49 HA PHE 49 1.073 0.180 -4.236 393 HB2 PHE 49 2HB PHE 49 2.240 2.685 -4.093 394 HB3 PHE 49 1HB PHE 49 2.219 2.374 -5.826 395 HD1 PHE 49 1HD PHE 49 -0.109 1.444 -6.809 396 HD2 PHE 49 2HD PHE 49 0.359 3.560 -3.084 397 HE1 PHE 49 1HE PHE 49 -2.487 2.103 -6.873 398 HE2 PHE 49 2HE PHE 49 -2.039 4.183 -3.150 399 HZ PHE 49 HZ PHE 49 -3.457 3.460 -5.049 400 H VAL 50 H VAL 50 0.501 -0.664 -6.266 401 HA VAL 50 HA VAL 50 2.753 -1.349 -8.005 402 HB VAL 50 HB VAL 50 0.356 -2.677 -7.070 403 HG11 VAL 50 1HG1 VAL 50 -0.349 -2.071 -9.312 404 HG12 VAL 50 2HG1 VAL 50 -0.172 -3.809 -9.155 405 HG13 VAL 50 3HG1 VAL 50 1.056 -2.859 -10.001 406 HG21 VAL 50 3HG2 VAL 50 1.730 -4.670 -7.930 407 HG22 VAL 50 1HG2 VAL 50 2.460 -3.696 -6.655 408 HG23 VAL 50 2HG2 VAL 50 2.980 -3.493 -8.328 409 H CYS 51 H CYS 51 2.937 -0.381 -9.947 410 HA CYS 51 HA CYS 51 0.759 1.418 -10.762 411 HB2 CYS 51 2HB CYS 51 3.690 1.267 -11.421 412 HB3 CYS 51 1HB CYS 51 2.580 2.225 -12.400 413 HG CYS 51 HG CYS 51 2.139 2.961 -9.536 414 H SER 52 H SER 52 2.579 -1.371 -11.838 415 HA SER 52 HA SER 52 0.564 -2.150 -13.689 416 HB2 SER 52 2HB SER 52 1.240 -1.196 -15.599 417 HB3 SER 52 1HB SER 52 2.457 -0.300 -14.696 418 HG SER 52 HG SER 52 3.349 -1.633 -16.354 419 H GLY 53 H GLY 53 0.766 -4.273 -14.175 420 HA2 GLY 53 2HA GLY 53 2.379 -6.132 -14.694 421 HA3 GLY 53 1HA GLY 53 3.225 -5.630 -13.231 422 H SER 54 H SER 54 2.870 -7.848 -12.441 423 HA SER 54 HA SER 54 0.261 -8.026 -11.097 424 HB2 SER 54 2HB SER 54 1.282 -10.530 -12.357 425 HB3 SER 54 1HB SER 54 -0.368 -10.065 -11.957 426 HG SER 54 HG SER 54 0.289 -10.021 -14.259 427 H MET 55 H MET 55 0.289 -9.078 -9.133 428 HA MET 55 HA MET 55 2.583 -10.649 -8.324 429 HB2 MET 55 2HB MET 55 2.872 -9.061 -6.262 430 HB3 MET 55 1HB MET 55 3.676 -8.665 -7.778 431 HG2 MET 55 2HG MET 55 2.029 -7.070 -8.365 432 HG3 MET 55 1HG MET 55 0.929 -7.620 -7.102 433 HE1 MET 55 3HE MET 55 3.391 -7.763 -4.462 434 HE2 MET 55 1HE MET 55 1.667 -7.935 -4.823 435 HE3 MET 55 2HE MET 55 2.239 -6.568 -3.873 436 H GLU 56 H GLU 56 2.344 -11.483 -6.096 437 HA GLU 56 HA GLU 56 -0.191 -11.197 -4.771 438 HB2 GLU 56 2HB GLU 56 -0.692 -13.707 -5.094 439 HB3 GLU 56 1HB GLU 56 -1.101 -12.605 -6.403 440 HG2 GLU 56 2HG GLU 56 0.063 -14.636 -7.229 441 HG3 GLU 56 1HG GLU 56 0.978 -13.170 -7.583 442 H VAL 57 H VAL 57 -0.306 -12.410 -2.776 443 HA VAL 57 HA VAL 57 2.360 -13.091 -1.785 444 HB VAL 57 HB VAL 57 1.747 -12.302 0.229 445 HG11 VAL 57 1HG1 VAL 57 -0.514 -11.326 -1.512 446 HG12 VAL 57 2HG1 VAL 57 0.954 -10.468 -1.055 447 HG13 VAL 57 3HG1 VAL 57 -0.298 -10.779 0.146 448 HG21 VAL 57 3HG2 VAL 57 0.382 -14.281 0.707 449 HG22 VAL 57 1HG2 VAL 57 -0.973 -13.579 -0.169 450 HG23 VAL 57 2HG2 VAL 57 -0.404 -12.830 1.319 451 H LEU 58 H LEU 58 2.976 -15.098 -1.293 452 HA LEU 58 HA LEU 58 1.033 -17.243 -1.743 453 HB2 LEU 58 2HB LEU 58 3.599 -16.796 -2.735 454 HB3 LEU 58 1HB LEU 58 3.775 -18.127 -1.594 455 HG LEU 58 HG LEU 58 1.987 -17.971 -4.029 456 HD11 LEU 58 1HD1 LEU 58 3.425 -19.470 -4.924 457 HD12 LEU 58 2HD1 LEU 58 3.503 -20.410 -3.434 458 HD13 LEU 58 3HD1 LEU 58 4.524 -18.986 -3.633 459 HD21 LEU 58 3HD2 LEU 58 1.518 -20.452 -2.941 460 HD22 LEU 58 1HD2 LEU 58 0.426 -19.072 -2.789 461 HD23 LEU 58 2HD2 LEU 58 1.579 -19.436 -1.500 462 H LYS 59 H LYS 59 0.317 -18.465 -0.161 463 HA LYS 59 HA LYS 59 2.018 -19.427 1.924 464 HB2 LYS 59 2HB LYS 59 0.625 -17.006 2.462 465 HB3 LYS 59 1HB LYS 59 -0.148 -18.280 3.398 466 HG2 LYS 59 2HG LYS 59 2.781 -17.532 3.418 467 HG3 LYS 59 1HG LYS 59 1.628 -17.381 4.741 468 HD2 LYS 59 2HD LYS 59 2.251 -19.423 5.431 469 HD3 LYS 59 1HD LYS 59 1.477 -20.069 3.992 470 HE2 LYS 59 2HE LYS 59 3.552 -20.887 3.525 471 HE3 LYS 59 1HE LYS 59 3.896 -19.253 2.968 472 HZ1 LYS 59 3HZ LYS 59 5.580 -19.772 4.485 473 HZ2 LYS 59 1HZ LYS 59 4.499 -20.450 5.602 474 HZ3 LYS 59 2HZ LYS 59 4.516 -18.770 5.351 475 H ASP 60 H ASP 60 1.206 -21.252 2.892 476 HA ASP 60 HA ASP 60 -0.035 -23.145 3.110 477 HB2 ASP 60 2HB ASP 60 -2.343 -22.922 3.591 478 HB3 ASP 60 1HB ASP 60 -1.573 -21.452 4.182 479 H ASN 61 H ASN 61 1.028 -22.973 0.650 480 HA ASN 61 HA ASN 61 0.909 -23.994 -1.396 481 HB2 ASN 61 2HB ASN 61 -1.806 -24.966 -0.496 482 HB3 ASN 61 1HB ASN 61 -0.799 -25.653 -1.769 483 HD21 ASN 61 1HD2 ASN 61 -1.678 -26.224 1.365 484 HD22 ASN 61 2HD2 ASN 61 -0.277 -27.009 1.917 485 H THR 62 H THR 62 -1.463 -21.727 -0.422 486 HA THR 62 HA THR 62 -2.033 -21.183 -3.269 487 HB THR 62 HB THR 62 -4.038 -20.690 -1.089 488 HG1 THR 62 1HG THR 62 -3.315 -23.005 -2.262 489 HG21 THR 62 3HG2 THR 62 -4.232 -20.824 -4.114 490 HG22 THR 62 1HG2 THR 62 -4.293 -19.337 -3.154 491 HG23 THR 62 2HG2 THR 62 -5.586 -20.539 -3.024 492 H VAL 63 H VAL 63 -2.630 -18.974 -3.703 493 HA VAL 63 HA VAL 63 -0.899 -17.166 -2.340 494 HB VAL 63 HB VAL 63 -2.567 -15.675 -3.971 495 HG11 VAL 63 1HG1 VAL 63 -0.158 -15.445 -3.899 496 HG12 VAL 63 2HG1 VAL 63 -0.619 -15.837 -5.554 497 HG13 VAL 63 3HG1 VAL 63 0.056 -17.083 -4.510 498 HG21 VAL 63 3HG2 VAL 63 -3.551 -17.884 -4.683 499 HG22 VAL 63 1HG2 VAL 63 -1.947 -18.347 -5.246 500 HG23 VAL 63 2HG2 VAL 63 -2.788 -16.996 -6.005 501 H LEU 64 H LEU 64 -1.346 -15.969 -0.604 502 HA LEU 64 HA LEU 64 -3.969 -16.064 0.568 503 HB2 LEU 64 2HB LEU 64 -1.318 -15.353 1.411 504 HB3 LEU 64 1HB LEU 64 -2.426 -14.052 1.832 505 HG LEU 64 HG LEU 64 -3.963 -15.860 2.779 506 HD11 LEU 64 1HD1 LEU 64 -1.563 -17.438 1.979 507 HD12 LEU 64 2HD1 LEU 64 -3.262 -17.913 2.009 508 HD13 LEU 64 3HD1 LEU 64 -2.333 -17.863 3.509 509 HD21 LEU 64 3HD2 LEU 64 -2.085 -14.366 3.978 510 HD22 LEU 64 1HD2 LEU 64 -1.380 -15.955 4.278 511 HD23 LEU 64 2HD2 LEU 64 -3.002 -15.585 4.863 512 H ALA 65 H ALA 65 -2.410 -14.074 -1.723 513 HA ALA 65 HA ALA 65 -4.752 -12.344 -1.770 514 HB1 ALA 65 1HB ALA 65 -3.849 -10.553 -0.794 515 HB2 ALA 65 2HB ALA 65 -2.515 -10.577 -1.945 516 HB3 ALA 65 3HB ALA 65 -2.397 -11.488 -0.439 517 H ILE 66 H ILE 66 -5.257 -11.741 -3.769 518 HA ILE 66 HA ILE 66 -3.250 -12.156 -5.894 519 HB ILE 66 HB ILE 66 -6.164 -12.320 -6.476 520 HG12 ILE 66 2HG1 ILE 66 -5.443 -13.823 -4.411 521 HG13 ILE 66 1HG1 ILE 66 -6.422 -14.479 -5.701 522 HG21 ILE 66 1HG2 ILE 66 -3.630 -13.591 -7.535 523 HG22 ILE 66 2HG2 ILE 66 -4.661 -12.409 -8.343 524 HG23 ILE 66 3HG2 ILE 66 -5.242 -14.053 -8.080 525 HD11 ILE 66 3HD1 ILE 66 -4.553 -15.551 -6.729 526 HD12 ILE 66 1HD1 ILE 66 -4.462 -15.934 -5.003 527 HD13 ILE 66 2HD1 ILE 66 -3.417 -14.682 -5.700 528 H LEU 67 H LEU 67 -2.593 -10.055 -6.422 529 HA LEU 67 HA LEU 67 -4.780 -8.178 -7.026 530 HB2 LEU 67 2HB LEU 67 -2.850 -6.467 -6.193 531 HB3 LEU 67 1HB LEU 67 -4.182 -7.029 -5.189 532 HG LEU 67 HG LEU 67 -2.691 -8.968 -4.496 533 HD11 LEU 67 1HD1 LEU 67 -1.187 -8.268 -6.596 534 HD12 LEU 67 2HD1 LEU 67 -0.499 -9.073 -5.186 535 HD13 LEU 67 3HD1 LEU 67 -0.364 -7.323 -5.357 536 HD21 LEU 67 3HD2 LEU 67 -1.260 -7.495 -3.004 537 HD22 LEU 67 1HD2 LEU 67 -2.984 -7.125 -2.964 538 HD23 LEU 67 2HD2 LEU 67 -1.884 -6.107 -3.895 539 H GLY 68 H GLY 68 -4.196 -6.370 -8.400 540 HA2 GLY 68 2HA GLY 68 -1.948 -6.964 -10.221 541 HA3 GLY 68 1HA GLY 68 -3.554 -6.608 -10.847 542 H LYS 69 H LYS 69 -2.762 -4.816 -11.984 543 HA LYS 69 HA LYS 69 -1.203 -2.733 -11.175 544 HB2 LYS 69 2HB LYS 69 -3.653 -2.350 -12.870 545 HB3 LYS 69 1HB LYS 69 -2.098 -1.538 -12.979 546 HG2 LYS 69 2HG LYS 69 -1.052 -3.772 -13.509 547 HG3 LYS 69 1HG LYS 69 -2.683 -4.432 -13.621 548 HD2 LYS 69 2HD LYS 69 -3.176 -2.604 -15.324 549 HD3 LYS 69 1HD LYS 69 -1.442 -2.279 -15.346 550 HE2 LYS 69 2HE LYS 69 -1.356 -4.941 -15.674 551 HE3 LYS 69 1HE LYS 69 -2.943 -4.640 -16.379 552 HZ1 LYS 69 3HZ LYS 69 -0.446 -4.212 -17.537 553 HZ2 LYS 69 1HZ LYS 69 -1.145 -2.685 -17.293 554 HZ3 LYS 69 2HZ LYS 69 -1.974 -3.864 -18.192 555 H GLY 70 H GLY 70 -1.350 -1.022 -9.891 556 HA2 GLY 70 2HA GLY 70 -2.269 0.761 -8.748 557 HA3 GLY 70 1HA GLY 70 -3.863 0.190 -9.172 558 H ASP 71 H ASP 71 -3.274 -2.539 -8.066 559 HA ASP 71 HA ASP 71 -4.410 -2.278 -5.577 560 HB2 ASP 71 2HB ASP 71 -2.325 -4.367 -6.160 561 HB3 ASP 71 1HB ASP 71 -3.728 -4.502 -5.106 562 H LEU 72 H LEU 72 -3.735 -1.782 -3.558 563 HA LEU 72 HA LEU 72 -0.960 -0.872 -3.305 564 HB2 LEU 72 2HB LEU 72 -2.579 0.851 -2.810 565 HB3 LEU 72 1HB LEU 72 -3.450 -0.220 -1.716 566 HG LEU 72 HG LEU 72 -1.267 -0.343 -0.359 567 HD11 LEU 72 1HD1 LEU 72 -0.008 0.744 -2.366 568 HD12 LEU 72 2HD1 LEU 72 0.419 1.228 -0.726 569 HD13 LEU 72 3HD1 LEU 72 -0.627 2.254 -1.702 570 HD21 LEU 72 3HD2 LEU 72 -3.339 1.673 -0.496 571 HD22 LEU 72 1HD2 LEU 72 -1.835 2.378 0.094 572 HD23 LEU 72 2HD2 LEU 72 -2.545 0.995 0.923 573 H ILE 73 H ILE 73 0.281 -1.419 -1.494 574 HA ILE 73 HA ILE 73 -0.620 -3.864 -0.102 575 HB ILE 73 HB ILE 73 1.309 -4.892 -0.671 576 HG12 ILE 73 2HG1 ILE 73 3.525 -3.747 -0.592 577 HG13 ILE 73 1HG1 ILE 73 2.675 -2.283 -0.097 578 HG21 ILE 73 1HG2 ILE 73 0.500 -3.556 -2.700 579 HG22 ILE 73 2HG2 ILE 73 2.118 -4.258 -2.775 580 HG23 ILE 73 3HG2 ILE 73 1.906 -2.542 -2.426 581 HD11 ILE 73 3HD1 ILE 73 3.535 -4.461 1.529 582 HD12 ILE 73 1HD1 ILE 73 1.771 -4.461 1.529 583 HD13 ILE 73 2HD1 ILE 73 2.654 -3.019 2.033 584 H GLY 74 H GLY 74 -0.467 -3.946 1.989 585 HA2 GLY 74 2HA GLY 74 0.935 -3.233 3.991 586 HA3 GLY 74 1HA GLY 74 0.617 -1.596 3.430 587 H SER 75 H SER 75 -0.106 -2.886 5.993 588 HA SER 75 HA SER 75 -2.970 -3.276 5.943 589 HB2 SER 75 2HB SER 75 -2.203 -2.793 8.588 590 HB3 SER 75 1HB SER 75 -2.407 -4.372 7.830 591 HG SER 75 HG SER 75 -0.037 -2.796 7.812 592 H ASP 76 H ASP 76 -4.527 -1.801 6.318 593 HA ASP 76 HA ASP 76 -3.991 0.963 6.144 594 HB2 ASP 76 2HB ASP 76 -6.201 -0.499 5.769 595 HB3 ASP 76 1HB ASP 76 -6.527 0.051 7.411 596 H SER 77 H SER 77 -5.444 2.265 8.013 597 HA SER 77 HA SER 77 -5.382 3.132 10.140 598 HB2 SER 77 2HB SER 77 -6.050 0.782 10.756 599 HB3 SER 77 1HB SER 77 -4.341 0.423 10.992 600 HG SER 77 HG SER 77 -5.835 2.459 12.297 601 H LEU 78 H LEU 78 -3.212 3.586 8.433 602 HA LEU 78 HA LEU 78 -0.676 3.047 9.465 603 HB2 LEU 78 2HB LEU 78 -1.833 5.156 7.706 604 HB3 LEU 78 1HB LEU 78 -0.219 5.428 8.366 605 HG LEU 78 HG LEU 78 0.554 3.298 7.460 606 HD11 LEU 78 1HD1 LEU 78 -2.353 2.910 7.085 607 HD12 LEU 78 2HD1 LEU 78 -1.085 1.718 7.369 608 HD13 LEU 78 3HD1 LEU 78 -1.350 2.355 5.746 609 HD21 LEU 78 3HD2 LEU 78 -0.875 5.193 5.595 610 HD22 LEU 78 1HD2 LEU 78 -0.023 3.779 4.962 611 HD23 LEU 78 2HD2 LEU 78 0.861 4.997 5.870 612 H THR 79 H THR 79 -3.168 4.958 10.769 613 HA THR 79 HA THR 79 -1.771 6.990 12.096 614 HB THR 79 HB THR 79 -4.175 5.528 13.195 615 HG1 THR 79 1HG THR 79 -3.874 7.319 11.056 616 HG21 THR 79 3HG2 THR 79 -4.262 8.365 13.444 617 HG22 THR 79 1HG2 THR 79 -2.672 7.828 13.985 618 HG23 THR 79 2HG2 THR 79 -4.126 7.165 14.729 619 H LYS 80 H LYS 80 -2.424 3.634 13.029 620 HA LYS 80 HA LYS 80 -1.111 3.924 15.590 621 HB2 LYS 80 2HB LYS 80 -3.031 2.289 14.928 622 HB3 LYS 80 1HB LYS 80 -1.726 1.284 14.297 623 HG2 LYS 80 2HG LYS 80 -0.816 2.123 16.809 624 HG3 LYS 80 1HG LYS 80 -2.521 1.741 17.058 625 HD2 LYS 80 2HD LYS 80 -0.638 -0.118 15.591 626 HD3 LYS 80 1HD LYS 80 -0.895 -0.209 17.334 627 HE2 LYS 80 2HE LYS 80 -3.455 -0.043 16.064 628 HE3 LYS 80 1HE LYS 80 -2.520 -1.310 15.266 629 HZ1 LYS 80 3HZ LYS 80 -2.318 -2.505 17.192 630 HZ2 LYS 80 1HZ LYS 80 -3.862 -1.838 17.406 631 HZ3 LYS 80 2HZ LYS 80 -2.526 -1.153 18.199 632 H GLU 81 H GLU 81 0.404 4.556 13.151 633 HA GLU 81 HA GLU 81 2.179 3.056 11.997 634 HB2 GLU 81 2HB GLU 81 4.061 4.618 12.971 635 HB3 GLU 81 1HB GLU 81 2.797 5.285 11.939 636 HG2 GLU 81 2HG GLU 81 1.490 5.855 14.000 637 HG3 GLU 81 1HG GLU 81 2.863 5.322 14.969 638 H GLN 82 H GLN 82 2.343 0.967 12.842 639 HA GLN 82 HA GLN 82 4.207 0.718 15.120 640 HB2 GLN 82 2HB GLN 82 1.499 -0.285 14.908 641 HB3 GLN 82 1HB GLN 82 2.646 -1.611 15.079 642 HG2 GLN 82 2HG GLN 82 1.782 -0.648 17.255 643 HG3 GLN 82 1HG GLN 82 3.534 -0.727 17.090 644 HE21 GLN 82 1HE2 GLN 82 0.767 1.535 16.804 645 HE22 GLN 82 2HE2 GLN 82 1.680 2.934 17.107 646 H VAL 83 H VAL 83 5.168 -1.563 15.162 647 HA VAL 83 HA VAL 83 6.362 -2.046 12.597 648 HB VAL 83 HB VAL 83 7.823 -2.287 14.434 649 HG11 VAL 83 1HG1 VAL 83 5.469 -3.145 15.727 650 HG12 VAL 83 2HG1 VAL 83 7.051 -2.878 16.460 651 HG13 VAL 83 3HG1 VAL 83 6.613 -4.480 15.861 652 HG21 VAL 83 3HG2 VAL 83 7.788 -4.144 12.618 653 HG22 VAL 83 1HG2 VAL 83 7.067 -5.156 13.870 654 HG23 VAL 83 2HG2 VAL 83 8.675 -4.470 14.106 655 H ILE 84 H ILE 84 5.262 -3.093 11.065 656 HA ILE 84 HA ILE 84 3.537 -5.354 11.850 657 HB ILE 84 HB ILE 84 3.561 -3.504 9.478 658 HG12 ILE 84 2HG1 ILE 84 1.069 -3.517 10.137 659 HG13 ILE 84 1HG1 ILE 84 1.588 -4.339 11.609 660 HG21 ILE 84 1HG2 ILE 84 2.272 -6.232 9.730 661 HG22 ILE 84 2HG2 ILE 84 3.373 -5.676 8.470 662 HG23 ILE 84 3HG2 ILE 84 1.740 -5.020 8.564 663 HD11 ILE 84 3HD1 ILE 84 2.867 -1.759 10.702 664 HD12 ILE 84 1HD1 ILE 84 2.916 -2.499 12.301 665 HD13 ILE 84 2HD1 ILE 84 1.422 -1.772 11.712 666 H LYS 85 H LYS 85 3.982 -7.372 11.221 667 HA LYS 85 HA LYS 85 6.363 -7.749 9.518 668 HB2 LYS 85 2HB LYS 85 6.004 -10.171 10.671 669 HB3 LYS 85 1HB LYS 85 7.007 -8.900 11.362 670 HG2 LYS 85 2HG LYS 85 5.436 -8.317 12.951 671 HG3 LYS 85 1HG LYS 85 4.089 -8.888 11.972 672 HD2 LYS 85 2HD LYS 85 4.443 -10.409 13.865 673 HD3 LYS 85 1HD LYS 85 4.823 -11.228 12.350 674 HE2 LYS 85 2HE LYS 85 6.493 -11.321 14.419 675 HE3 LYS 85 1HE LYS 85 7.077 -11.258 12.758 676 HZ1 LYS 85 3HZ LYS 85 8.245 -9.607 13.943 677 HZ2 LYS 85 1HZ LYS 85 6.837 -9.019 14.683 678 HZ3 LYS 85 2HZ LYS 85 7.085 -8.776 13.021 679 H THR 86 H THR 86 6.218 -8.937 7.702 680 HA THR 86 HA THR 86 3.648 -9.434 6.581 681 HB THR 86 HB THR 86 5.731 -10.883 5.209 682 HG1 THR 86 1HG THR 86 6.668 -8.919 6.609 683 HG21 THR 86 3HG2 THR 86 5.220 -8.999 3.520 684 HG22 THR 86 1HG2 THR 86 4.023 -8.453 4.691 685 HG23 THR 86 2HG2 THR 86 3.887 -10.058 3.977 686 H ASN 87 H ASN 87 2.361 -11.084 6.930 687 HA ASN 87 HA ASN 87 3.213 -13.396 8.409 688 HB2 ASN 87 2HB ASN 87 0.996 -12.583 8.802 689 HB3 ASN 87 1HB ASN 87 0.606 -12.642 7.084 690 HD21 ASN 87 1HD2 ASN 87 -0.893 -14.315 6.858 691 HD22 ASN 87 2HD2 ASN 87 -0.702 -15.871 7.508 692 H ALA 88 H ALA 88 1.976 -12.909 5.084 693 HA ALA 88 HA ALA 88 2.791 -15.626 4.410 694 HB1 ALA 88 1HB ALA 88 0.614 -15.020 3.598 695 HB2 ALA 88 2HB ALA 88 1.701 -15.102 2.210 696 HB3 ALA 88 3HB ALA 88 1.244 -13.535 2.879 697 H ASN 89 H ASN 89 3.446 -15.482 1.829 698 HA ASN 89 HA ASN 89 5.976 -13.938 1.842 699 HB2 ASN 89 2HB ASN 89 5.284 -16.228 -0.021 700 HB3 ASN 89 1HB ASN 89 6.877 -15.612 0.403 701 HD21 ASN 89 1HD2 ASN 89 6.585 -18.312 0.737 702 HD22 ASN 89 2HD2 ASN 89 6.415 -18.711 2.378 703 H VAL 90 H VAL 90 6.604 -13.167 -0.428 704 HA VAL 90 HA VAL 90 4.252 -12.423 -1.990 705 HB VAL 90 HB VAL 90 6.314 -10.738 -0.717 706 HG11 VAL 90 1HG1 VAL 90 6.718 -10.406 -3.054 707 HG12 VAL 90 2HG1 VAL 90 5.894 -8.981 -2.422 708 HG13 VAL 90 3HG1 VAL 90 5.007 -10.173 -3.379 709 HG21 VAL 90 3HG2 VAL 90 3.904 -10.918 0.051 710 HG22 VAL 90 1HG2 VAL 90 3.434 -10.178 -1.480 711 HG23 VAL 90 2HG2 VAL 90 4.427 -9.277 -0.333 712 H LYS 91 H LYS 91 4.437 -12.746 -4.078 713 HA LYS 91 HA LYS 91 7.104 -12.918 -5.266 714 HB2 LYS 91 2HB LYS 91 6.633 -15.221 -4.811 715 HB3 LYS 91 1HB LYS 91 4.982 -15.061 -5.411 716 HG2 LYS 91 2HG LYS 91 5.749 -14.730 -7.668 717 HG3 LYS 91 1HG LYS 91 7.425 -14.588 -7.137 718 HD2 LYS 91 2HD LYS 91 7.573 -16.803 -7.597 719 HD3 LYS 91 1HD LYS 91 6.680 -17.032 -6.093 720 HE2 LYS 91 2HE LYS 91 4.554 -16.974 -7.331 721 HE3 LYS 91 1HE LYS 91 5.432 -16.717 -8.839 722 HZ1 LYS 91 3HZ LYS 91 5.365 -19.118 -7.127 723 HZ2 LYS 91 1HZ LYS 91 6.656 -18.854 -8.194 724 HZ3 LYS 91 2HZ LYS 91 5.073 -18.990 -8.796 725 H ALA 92 H ALA 92 7.126 -11.564 -6.932 726 HA ALA 92 HA ALA 92 4.750 -10.478 -8.077 727 HB1 ALA 92 1HB ALA 92 6.420 -8.956 -8.395 728 HB2 ALA 92 2HB ALA 92 6.667 -9.856 -9.891 729 HB3 ALA 92 3HB ALA 92 7.671 -10.197 -8.482 730 H LEU 93 H LEU 93 3.464 -11.465 -9.479 731 HA LEU 93 HA LEU 93 4.146 -13.938 -10.725 732 HB2 LEU 93 2HB LEU 93 1.799 -12.270 -10.393 733 HB3 LEU 93 1HB LEU 93 1.903 -12.895 -12.038 734 HG LEU 93 HG LEU 93 2.003 -15.162 -11.265 735 HD11 LEU 93 1HD1 LEU 93 2.810 -13.847 -8.749 736 HD12 LEU 93 2HD1 LEU 93 3.253 -15.432 -9.383 737 HD13 LEU 93 3HD1 LEU 93 1.720 -15.218 -8.540 738 HD21 LEU 93 3HD2 LEU 93 -0.251 -14.848 -11.169 739 HD22 LEU 93 1HD2 LEU 93 -0.096 -13.356 -10.242 740 HD23 LEU 93 2HD2 LEU 93 -0.018 -14.916 -9.423 741 H THR 94 H THR 94 3.607 -10.647 -11.920 742 HA THR 94 HA THR 94 5.193 -11.317 -14.321 743 HB THR 94 HB THR 94 3.763 -9.841 -15.638 744 HG1 THR 94 1HG THR 94 3.200 -8.731 -13.460 745 HG21 THR 94 3HG2 THR 94 1.478 -11.177 -14.862 746 HG22 THR 94 1HG2 THR 94 2.758 -12.217 -14.237 747 HG23 THR 94 2HG2 THR 94 2.706 -11.818 -15.954 748 H TYR 95 H TYR 95 6.574 -9.635 -15.062 749 HA TYR 95 HA TYR 95 7.869 -8.124 -13.173 750 HB2 TYR 95 2HB TYR 95 7.909 -6.560 -15.535 751 HB3 TYR 95 1HB TYR 95 9.135 -7.697 -14.969 752 HD1 TYR 95 2HD TYR 95 5.645 -8.072 -16.303 753 HD2 TYR 95 1HD TYR 95 9.786 -9.149 -16.674 754 HE1 TYR 95 2HE TYR 95 5.080 -9.599 -18.174 755 HE2 TYR 95 1HE TYR 95 9.221 -10.676 -18.543 756 HH TYR 95 HH TYR 95 5.890 -11.369 -19.407 757 H CYS 96 H CYS 96 7.160 -6.607 -11.848 758 HA CYS 96 HA CYS 96 5.190 -4.666 -12.864 759 HB2 CYS 96 2HB CYS 96 4.135 -6.441 -11.417 760 HB3 CYS 96 1HB CYS 96 5.135 -5.857 -10.088 761 HG CYS 96 HG CYS 96 3.414 -3.698 -11.463 762 H ASP 97 H ASP 97 5.551 -2.588 -12.344 763 HA ASP 97 HA ASP 97 7.970 -1.969 -10.804 764 HB2 ASP 97 2HB ASP 97 7.099 -0.925 -13.137 765 HB3 ASP 97 1HB ASP 97 6.331 0.195 -12.014 766 H LEU 98 H LEU 98 7.845 -1.246 -8.741 767 HA LEU 98 HA LEU 98 5.216 -0.260 -7.814 768 HB2 LEU 98 2HB LEU 98 6.998 -1.760 -5.944 769 HB3 LEU 98 1HB LEU 98 5.245 -1.601 -5.940 770 HG LEU 98 HG LEU 98 5.368 -2.924 -8.195 771 HD11 LEU 98 1HD1 LEU 98 7.629 -3.124 -8.698 772 HD12 LEU 98 2HD1 LEU 98 7.349 -4.640 -7.848 773 HD13 LEU 98 3HD1 LEU 98 8.102 -3.287 -7.007 774 HD21 LEU 98 3HD2 LEU 98 4.974 -4.938 -7.004 775 HD22 LEU 98 1HD2 LEU 98 4.514 -3.667 -5.872 776 HD23 LEU 98 2HD2 LEU 98 6.071 -4.477 -5.701 777 H GLN 99 H GLN 99 5.215 1.248 -6.159 778 HA GLN 99 HA GLN 99 7.816 2.549 -5.626 779 HB2 GLN 99 2HB GLN 99 6.465 3.980 -7.069 780 HB3 GLN 99 1HB GLN 99 5.091 3.831 -5.973 781 HG2 GLN 99 2HG GLN 99 7.723 4.826 -4.923 782 HG3 GLN 99 1HG GLN 99 6.664 5.930 -5.798 783 HE21 GLN 99 1HE2 GLN 99 4.695 3.637 -4.334 784 HE22 GLN 99 2HE2 GLN 99 4.329 4.481 -2.908 785 H TYR 100 H TYR 100 8.298 2.862 -3.508 786 HA TYR 100 HA TYR 100 6.151 2.673 -1.541 787 HB2 TYR 100 2HB TYR 100 7.170 0.969 -0.238 788 HB3 TYR 100 1HB TYR 100 7.128 0.359 -1.884 789 HD1 TYR 100 2HD TYR 100 9.552 2.441 -2.611 790 HD2 TYR 100 1HD TYR 100 8.927 -0.679 0.269 791 HE1 TYR 100 2HE TYR 100 11.991 2.048 -2.500 792 HE2 TYR 100 1HE TYR 100 11.365 -1.072 0.366 793 HH TYR 100 HH TYR 100 13.340 -0.653 -0.699 794 H ILE 101 H ILE 101 6.944 3.127 0.675 795 HA ILE 101 HA ILE 101 9.357 4.710 0.867 796 HB ILE 101 HB ILE 101 8.386 6.692 0.468 797 HG12 ILE 101 2HG1 ILE 101 8.108 6.604 2.990 798 HG13 ILE 101 1HG1 ILE 101 6.964 7.654 2.158 799 HG21 ILE 101 1HG2 ILE 101 5.878 5.030 0.470 800 HG22 ILE 101 2HG2 ILE 101 6.736 5.691 -0.926 801 HG23 ILE 101 3HG2 ILE 101 5.843 6.766 0.154 802 HD11 ILE 101 3HD1 ILE 101 6.335 5.524 3.891 803 HD12 ILE 101 1HD1 ILE 101 5.936 4.945 2.275 804 HD13 ILE 101 2HD1 ILE 101 5.211 6.431 2.883 805 H SER 102 H SER 102 9.851 5.287 3.094 806 HA SER 102 HA SER 102 8.909 3.259 4.918 807 HB2 SER 102 2HB SER 102 10.451 4.379 6.528 808 HB3 SER 102 1HB SER 102 11.239 3.902 5.027 809 HG SER 102 HG SER 102 11.448 5.949 4.475 810 H LEU 103 H LEU 103 7.236 3.434 6.241 811 HA LEU 103 HA LEU 103 5.384 5.464 6.246 812 HB2 LEU 103 2HB LEU 103 5.645 3.058 7.557 813 HB3 LEU 103 1HB LEU 103 5.690 4.216 8.886 814 HG LEU 103 HG LEU 103 3.372 3.561 8.421 815 HD11 LEU 103 1HD1 LEU 103 4.291 6.103 8.747 816 HD12 LEU 103 2HD1 LEU 103 2.580 5.686 8.688 817 HD13 LEU 103 3HD1 LEU 103 3.392 6.277 7.240 818 HD21 LEU 103 3HD2 LEU 103 4.229 3.494 5.775 819 HD22 LEU 103 1HD2 LEU 103 3.182 4.913 5.830 820 HD23 LEU 103 2HD2 LEU 103 2.559 3.337 6.318 821 H LYS 104 H LYS 104 8.329 5.192 8.149 822 HA LYS 104 HA LYS 104 7.798 7.379 9.899 823 HB2 LYS 104 2HB LYS 104 10.469 6.255 9.019 824 HB3 LYS 104 1HB LYS 104 10.173 7.259 10.440 825 HG2 LYS 104 2HG LYS 104 8.375 5.332 10.932 826 HG3 LYS 104 1HG LYS 104 9.517 4.389 9.978 827 HD2 LYS 104 2HD LYS 104 11.355 5.102 11.469 828 HD3 LYS 104 1HD LYS 104 10.207 6.033 12.432 829 HE2 LYS 104 2HE LYS 104 10.290 4.045 13.641 830 HE3 LYS 104 1HE LYS 104 8.920 3.735 12.574 831 HZ1 LYS 104 3HZ LYS 104 10.541 1.901 12.641 832 HZ2 LYS 104 1HZ LYS 104 11.719 2.935 11.994 833 HZ3 LYS 104 2HZ LYS 104 10.341 2.545 11.081 834 H GLY 105 H GLY 105 9.210 7.045 6.710 835 HA2 GLY 105 2HA GLY 105 10.311 9.674 6.497 836 HA3 GLY 105 1HA GLY 105 9.971 8.565 5.175 837 H LEU 106 H LEU 106 7.295 8.181 5.349 838 HA LEU 106 HA LEU 106 6.309 10.525 4.091 839 HB2 LEU 106 2HB LEU 106 5.384 8.557 3.286 840 HB3 LEU 106 1HB LEU 106 5.083 7.910 4.896 841 HG LEU 106 HG LEU 106 3.723 10.464 4.226 842 HD11 LEU 106 1HD1 LEU 106 3.456 9.266 2.117 843 HD12 LEU 106 2HD1 LEU 106 1.928 9.241 2.999 844 HD13 LEU 106 3HD1 LEU 106 2.959 7.809 2.978 845 HD21 LEU 106 3HD2 LEU 106 3.286 9.420 6.365 846 HD22 LEU 106 1HD2 LEU 106 2.986 7.861 5.598 847 HD23 LEU 106 2HD2 LEU 106 1.853 9.189 5.371 848 H ARG 107 H ARG 107 5.746 9.101 7.294 849 HA ARG 107 HA ARG 107 3.730 10.967 7.968 850 HB2 ARG 107 2HB ARG 107 3.774 8.872 9.136 851 HB3 ARG 107 1HB ARG 107 5.394 9.193 9.728 852 HG2 ARG 107 2HG ARG 107 3.631 9.667 11.432 853 HG3 ARG 107 1HG ARG 107 4.612 11.080 11.039 854 HD2 ARG 107 2HD ARG 107 2.875 12.170 10.060 855 HD3 ARG 107 1HD ARG 107 2.263 10.701 9.307 856 HE ARG 107 HE ARG 107 1.350 11.841 11.759 857 HH11 ARG 107 1HH2 ARG 107 2.030 8.853 10.153 858 HH12 ARG 107 2HH2 ARG 107 0.866 7.943 11.056 859 HH21 ARG 107 1HH1 ARG 107 -0.181 10.656 12.946 860 HH22 ARG 107 2HH1 ARG 107 -0.386 8.964 12.638 861 H GLU 108 H GLU 108 7.188 11.050 8.257 862 HA GLU 108 HA GLU 108 7.375 13.156 10.167 863 HB2 GLU 108 2HB GLU 108 9.363 11.934 9.884 864 HB3 GLU 108 1HB GLU 108 9.268 12.015 8.125 865 HG2 GLU 108 2HG GLU 108 10.072 14.182 8.039 866 HG3 GLU 108 1HG GLU 108 9.459 14.584 9.642 867 H VAL 109 H VAL 109 7.671 13.077 6.655 868 HA VAL 109 HA VAL 109 7.880 15.827 6.154 869 HB VAL 109 HB VAL 109 6.805 15.076 3.897 870 HG11 VAL 109 1HG1 VAL 109 9.175 15.158 3.906 871 HG12 VAL 109 2HG1 VAL 109 8.846 13.454 3.551 872 HG13 VAL 109 3HG1 VAL 109 9.283 13.944 5.182 873 HG21 VAL 109 3HG2 VAL 109 6.896 12.551 3.708 874 HG22 VAL 109 1HG2 VAL 109 5.510 13.249 4.541 875 HG23 VAL 109 2HG2 VAL 109 6.817 12.518 5.461 876 H LEU 110 H LEU 110 5.159 13.664 6.508 877 HA LEU 110 HA LEU 110 3.078 15.550 6.103 878 HB2 LEU 110 2HB LEU 110 3.430 12.790 6.902 879 HB3 LEU 110 1HB LEU 110 2.132 13.527 7.778 880 HG LEU 110 HG LEU 110 1.131 14.278 5.635 881 HD11 LEU 110 1HD1 LEU 110 3.475 14.288 4.516 882 HD12 LEU 110 2HD1 LEU 110 2.094 13.797 3.545 883 HD13 LEU 110 3HD1 LEU 110 3.175 12.581 4.221 884 HD21 LEU 110 3HD2 LEU 110 0.451 12.075 4.836 885 HD22 LEU 110 1HD2 LEU 110 0.576 12.027 6.593 886 HD23 LEU 110 2HD2 LEU 110 1.854 11.338 5.599 887 H ARG 111 H ARG 111 5.145 14.738 8.795 888 HA ARG 111 HA ARG 111 3.631 15.821 10.906 889 HB2 ARG 111 2HB ARG 111 5.914 14.561 10.975 890 HB3 ARG 111 1HB ARG 111 6.619 16.162 10.747 891 HG2 ARG 111 2HG ARG 111 5.647 16.987 12.763 892 HG3 ARG 111 1HG ARG 111 4.581 15.589 12.906 893 HD2 ARG 111 2HD ARG 111 6.189 14.313 13.868 894 HD3 ARG 111 1HD ARG 111 7.434 14.891 12.764 895 HE ARG 111 HE ARG 111 6.760 16.956 14.582 896 HH11 ARG 111 1HH2 ARG 111 8.316 13.868 14.404 897 HH12 ARG 111 2HH2 ARG 111 9.395 14.183 15.721 898 HH21 ARG 111 1HH1 ARG 111 8.176 17.375 16.308 899 HH22 ARG 111 2HH1 ARG 111 9.317 16.166 16.799 900 H LEU 112 H LEU 112 5.692 17.249 8.438 901 HA LEU 112 HA LEU 112 5.720 19.905 9.436 902 HB2 LEU 112 2HB LEU 112 6.783 18.599 7.215 903 HB3 LEU 112 1HB LEU 112 5.617 19.727 6.522 904 HG LEU 112 HG LEU 112 7.668 20.542 8.594 905 HD11 LEU 112 1HD1 LEU 112 8.693 19.685 6.444 906 HD12 LEU 112 2HD1 LEU 112 9.041 21.378 6.797 907 HD13 LEU 112 3HD1 LEU 112 7.817 20.961 5.598 908 HD21 LEU 112 3HD2 LEU 112 5.634 21.961 8.331 909 HD22 LEU 112 1HD2 LEU 112 6.007 22.138 6.616 910 HD23 LEU 112 2HD2 LEU 112 7.102 22.801 7.830 911 H TYR 113 H TYR 113 3.458 17.951 7.669 912 HA TYR 113 HA TYR 113 1.491 20.181 7.706 913 HB2 TYR 113 2HB TYR 113 1.801 17.890 5.751 914 HB3 TYR 113 1HB TYR 113 0.360 18.905 5.833 915 HD1 TYR 113 2HD TYR 113 4.026 18.927 5.219 916 HD2 TYR 113 1HD TYR 113 0.345 21.126 4.953 917 HE1 TYR 113 2HE TYR 113 5.156 20.652 3.841 918 HE2 TYR 113 1HE TYR 113 1.475 22.851 3.579 919 HH TYR 113 HH TYR 113 4.215 23.572 3.423 920 HA PRO 114 HA PRO 114 0.240 16.958 10.781 921 HB2 PRO 114 2HB PRO 114 -1.091 19.260 12.040 922 HB3 PRO 114 1HB PRO 114 0.083 18.119 12.718 923 HG2 PRO 114 2HG PRO 114 0.702 20.670 12.143 924 HG3 PRO 114 1HG PRO 114 1.875 19.346 12.028 925 HD2 PRO 114 2HD PRO 114 0.415 20.767 9.833 926 HD3 PRO 114 1HD PRO 114 2.067 20.118 9.860 927 H GLU 115 H GLU 115 -1.936 19.512 9.479 928 HA GLU 115 HA GLU 115 -4.318 18.132 10.203 929 HB2 GLU 115 2HB GLU 115 -3.650 20.421 8.408 930 HB3 GLU 115 1HB GLU 115 -5.234 19.659 8.260 931 HG2 GLU 115 2HG GLU 115 -4.075 20.619 10.886 932 HG3 GLU 115 1HG GLU 115 -5.172 21.575 9.892 933 H TYR 116 H TYR 116 -2.654 18.496 7.102 934 HA TYR 116 HA TYR 116 -4.329 16.696 5.682 935 HB2 TYR 116 2HB TYR 116 -1.533 17.723 5.156 936 HB3 TYR 116 1HB TYR 116 -2.462 16.763 4.013 937 HD1 TYR 116 1HD TYR 116 -5.044 17.659 3.799 938 HD2 TYR 116 2HD TYR 116 -1.606 20.021 4.825 939 HE1 TYR 116 1HE TYR 116 -6.227 19.705 3.050 940 HE2 TYR 116 2HE TYR 116 -2.788 22.068 4.075 941 HH TYR 116 HH TYR 116 -5.304 22.129 2.138 942 H ALA 117 H ALA 117 -1.398 16.385 7.551 943 HA ALA 117 HA ALA 117 -0.603 13.823 6.754 944 HB1 ALA 117 1HB ALA 117 0.958 15.090 7.923 945 HB2 ALA 117 2HB ALA 117 0.484 13.849 9.090 946 HB3 ALA 117 3HB ALA 117 -0.178 15.478 9.212 947 H GLN 118 H GLN 118 -2.293 14.705 9.776 948 HA GLN 118 HA GLN 118 -2.784 12.117 10.647 949 HB2 GLN 118 2HB GLN 118 -4.499 14.601 10.936 950 HB3 GLN 118 1HB GLN 118 -4.738 13.117 11.843 951 HG2 GLN 118 2HG GLN 118 -2.335 14.938 11.930 952 HG3 GLN 118 1HG GLN 118 -3.459 14.576 13.235 953 HE21 GLN 118 1HE2 GLN 118 -0.632 13.423 11.517 954 HE22 GLN 118 2HE2 GLN 118 -0.372 12.051 12.483 955 H LYS 119 H LYS 119 -4.285 14.044 8.199 956 HA LYS 119 HA LYS 119 -6.580 12.383 7.781 957 HB2 LYS 119 2HB LYS 119 -5.686 14.894 6.895 958 HB3 LYS 119 1HB LYS 119 -5.794 13.895 5.445 959 HG2 LYS 119 2HG LYS 119 -7.971 14.741 5.636 960 HG3 LYS 119 1HG LYS 119 -8.107 13.166 6.418 961 HD2 LYS 119 2HD LYS 119 -7.967 14.138 8.604 962 HD3 LYS 119 1HD LYS 119 -7.493 15.704 7.946 963 HE2 LYS 119 2HE LYS 119 -9.836 15.339 6.635 964 HE3 LYS 119 1HE LYS 119 -10.182 14.464 8.126 965 HZ1 LYS 119 3HZ LYS 119 -9.856 17.291 7.687 966 HZ2 LYS 119 1HZ LYS 119 -8.976 16.708 9.015 967 HZ3 LYS 119 2HZ LYS 119 -10.657 16.470 8.942 968 H PHE 120 H PHE 120 -3.244 12.295 6.671 969 HA PHE 120 HA PHE 120 -3.606 10.886 4.272 970 HB2 PHE 120 2HB PHE 120 -1.403 11.125 4.195 971 HB3 PHE 120 1HB PHE 120 -1.465 11.812 5.813 972 HD1 PHE 120 1HD PHE 120 -1.038 8.626 3.908 973 HD2 PHE 120 2HD PHE 120 -0.650 10.604 7.706 974 HE1 PHE 120 1HE PHE 120 0.284 6.737 4.757 975 HE2 PHE 120 2HE PHE 120 0.652 8.686 8.567 976 HZ PHE 120 HZ PHE 120 1.123 6.750 7.099 977 H VAL 121 H VAL 121 -3.144 9.617 7.567 978 HA VAL 121 HA VAL 121 -2.878 6.941 6.938 979 HB VAL 121 HB VAL 121 -3.710 6.461 9.182 980 HG11 VAL 121 1HG1 VAL 121 -1.976 8.870 8.742 981 HG12 VAL 121 2HG1 VAL 121 -1.528 7.272 9.338 982 HG13 VAL 121 3HG1 VAL 121 -2.391 8.395 10.389 983 HG21 VAL 121 3HG2 VAL 121 -5.081 9.051 8.736 984 HG22 VAL 121 1HG2 VAL 121 -4.419 8.819 10.354 985 HG23 VAL 121 2HG2 VAL 121 -5.583 7.665 9.704 986 H SER 122 H SER 122 -5.817 8.891 7.147 987 HA SER 122 HA SER 122 -7.530 6.592 6.656 988 HB2 SER 122 2HB SER 122 -9.352 8.081 6.957 989 HB3 SER 122 1HB SER 122 -8.136 8.587 8.127 990 HG SER 122 HG SER 122 -8.103 10.436 7.151 991 H GLU 123 H GLU 123 -6.573 9.559 4.927 992 HA GLU 123 HA GLU 123 -8.092 9.230 2.620 993 HB2 GLU 123 2HB GLU 123 -5.582 10.642 3.314 994 HB3 GLU 123 1HB GLU 123 -5.858 10.345 1.597 995 HG2 GLU 123 2HG GLU 123 -6.815 12.529 2.566 996 HG3 GLU 123 1HG GLU 123 -7.910 11.533 1.607 997 H ILE 124 H ILE 124 -5.106 7.651 3.576 998 HA ILE 124 HA ILE 124 -4.257 6.613 1.139 999 HB ILE 124 HB ILE 124 -3.368 6.452 3.670 1000 HG12 ILE 124 2HG1 ILE 124 -2.803 4.932 1.165 1001 HG13 ILE 124 1HG1 ILE 124 -1.782 6.062 2.055 1002 HG21 ILE 124 1HG2 ILE 124 -3.557 4.210 4.532 1003 HG22 ILE 124 2HG2 ILE 124 -4.398 3.662 3.086 1004 HG23 ILE 124 3HG2 ILE 124 -5.192 4.776 4.201 1005 HD11 ILE 124 3HD1 ILE 124 -0.734 4.043 2.553 1006 HD12 ILE 124 1HD1 ILE 124 -2.250 3.142 2.546 1007 HD13 ILE 124 2HD1 ILE 124 -1.853 4.184 3.908 1008 H GLN 125 H GLN 125 -6.765 5.497 3.357 1009 HA GLN 125 HA GLN 125 -7.261 2.949 2.502 1010 HB2 GLN 125 2HB GLN 125 -9.263 3.087 3.614 1011 HB3 GLN 125 1HB GLN 125 -8.461 4.520 4.257 1012 HG2 GLN 125 2HG GLN 125 -10.506 5.377 3.578 1013 HG3 GLN 125 1HG GLN 125 -9.423 5.710 2.234 1014 HE21 GLN 125 1HE2 GLN 125 -11.692 5.745 1.074 1015 HE22 GLN 125 2HE2 GLN 125 -12.234 4.258 0.461 1016 H HIS 126 H HIS 126 -8.016 5.912 0.836 1017 HA HIS 126 HA HIS 126 -9.902 4.971 -0.994 1018 HB2 HIS 126 2HB HIS 126 -9.589 7.292 -0.928 1019 HB3 HIS 126 1HB HIS 126 -7.851 7.140 -1.139 1020 HD1 HIS 126 1HD HIS 126 -10.431 5.329 -3.222 1021 HD2 HIS 126 2HD HIS 126 -7.652 8.406 -3.644 1022 HE1 HIS 126 1HE HIS 126 -10.355 5.888 -5.689 1023 HE2 HIS 126 2HE HIS 126 -8.665 7.764 -5.965 1024 H ASP 127 H ASP 127 -6.658 4.051 -0.650 1025 HA ASP 127 HA ASP 127 -6.642 2.965 -3.407 1026 HB2 ASP 127 2HB ASP 127 -4.418 4.063 -1.708 1027 HB3 ASP 127 1HB ASP 127 -4.092 2.956 -3.038 1028 H LEU 128 H LEU 128 -5.935 2.372 -0.018 1029 HA LEU 128 HA LEU 128 -4.645 0.018 0.112 1030 HB2 LEU 128 2HB LEU 128 -5.878 1.361 1.957 1031 HB3 LEU 128 1HB LEU 128 -7.232 0.287 1.617 1032 HG LEU 128 HG LEU 128 -5.985 -0.718 3.403 1033 HD11 LEU 128 1HD1 LEU 128 -6.693 -2.188 1.447 1034 HD12 LEU 128 2HD1 LEU 128 -5.408 -2.839 2.462 1035 HD13 LEU 128 3HD1 LEU 128 -5.017 -2.117 0.901 1036 HD21 LEU 128 3HD2 LEU 128 -3.671 -0.810 3.535 1037 HD22 LEU 128 1HD2 LEU 128 -3.878 0.684 2.625 1038 HD23 LEU 128 2HD2 LEU 128 -3.466 -0.811 1.784 1039 H THR 129 H THR 129 -4.795 -1.622 -1.341 1040 HA THR 129 HA THR 129 -7.452 -2.579 -2.155 1041 HB THR 129 HB THR 129 -4.660 -3.041 -3.167 1042 HG1 THR 129 1HG THR 129 -5.646 -1.420 -4.201 1043 HG21 THR 129 3HG2 THR 129 -7.089 -4.779 -3.496 1044 HG22 THR 129 1HG2 THR 129 -5.418 -5.257 -3.193 1045 HG23 THR 129 2HG2 THR 129 -5.893 -4.664 -4.787 1046 H TYR 130 H TYR 130 -4.432 -3.737 -0.684 1047 HA TYR 130 HA TYR 130 -5.990 -5.873 0.622 1048 HB2 TYR 130 2HB TYR 130 -4.489 -6.569 -1.419 1049 HB3 TYR 130 1HB TYR 130 -3.174 -6.393 -0.259 1050 HD1 TYR 130 1HD TYR 130 -3.015 -7.845 1.704 1051 HD2 TYR 130 2HD TYR 130 -6.212 -8.275 -1.129 1052 HE1 TYR 130 1HE TYR 130 -3.588 -10.049 2.687 1053 HE2 TYR 130 2HE TYR 130 -6.787 -10.478 -0.149 1054 HH TYR 130 HH TYR 130 -6.239 -11.497 2.527 1055 H ASN 131 H ASN 131 -5.758 -5.819 2.745 1056 HA ASN 131 HA ASN 131 -3.759 -4.065 3.928 1057 HB2 ASN 131 2HB ASN 131 -6.383 -4.990 4.610 1058 HB3 ASN 131 1HB ASN 131 -5.278 -5.400 5.920 1059 HD21 ASN 131 1HD2 ASN 131 -5.849 -3.755 7.417 1060 HD22 ASN 131 2HD2 ASN 131 -5.684 -2.098 7.085 1061 H LEU 132 H LEU 132 -1.774 -4.905 4.221 1062 HA LEU 132 HA LEU 132 -1.338 -7.722 4.686 1063 HB2 LEU 132 2HB LEU 132 0.321 -5.291 4.336 1064 HB3 LEU 132 1HB LEU 132 1.026 -6.551 5.343 1065 HG LEU 132 HG LEU 132 1.453 -6.606 2.768 1066 HD11 LEU 132 1HD1 LEU 132 1.111 -8.652 4.766 1067 HD12 LEU 132 2HD1 LEU 132 2.245 -8.604 3.415 1068 HD13 LEU 132 3HD1 LEU 132 0.632 -9.283 3.190 1069 HD21 LEU 132 3HD2 LEU 132 -1.019 -8.247 2.594 1070 HD22 LEU 132 1HD2 LEU 132 -0.242 -7.247 1.368 1071 HD23 LEU 132 2HD2 LEU 132 -1.248 -6.498 2.605 1072 H ARG 133 H ARG 133 -1.786 -8.619 6.610 1073 HA ARG 133 HA ARG 133 -1.618 -6.931 9.016 1074 HB2 ARG 133 2HB ARG 133 -3.066 -9.517 8.440 1075 HB3 ARG 133 1HB ARG 133 -2.922 -8.838 10.062 1076 HG2 ARG 133 2HG ARG 133 -3.811 -6.645 8.955 1077 HG3 ARG 133 1HG ARG 133 -4.369 -7.721 7.674 1078 HD2 ARG 133 2HD ARG 133 -6.055 -7.270 9.518 1079 HD3 ARG 133 1HD ARG 133 -5.733 -8.968 9.182 1080 HE ARG 133 HE ARG 133 -4.651 -9.141 11.263 1081 HH11 ARG 133 1HH2 ARG 133 -5.508 -5.882 10.472 1082 HH12 ARG 133 2HH2 ARG 133 -5.216 -5.273 12.066 1083 HH21 ARG 133 1HH1 ARG 133 -4.264 -8.348 13.355 1084 HH22 ARG 133 2HH1 ARG 133 -4.513 -6.669 13.699 1085 H GLU 134 H GLU 134 -0.650 -7.709 10.924 1086 HA GLU 134 HA GLU 134 1.691 -9.384 10.425 1087 HB2 GLU 134 2HB GLU 134 2.075 -8.667 12.934 1088 HB3 GLU 134 1HB GLU 134 2.353 -7.516 11.627 1089 HG2 GLU 134 2HG GLU 134 0.977 -6.580 13.508 1090 HG3 GLU 134 1HG GLU 134 0.165 -6.530 11.944 1091 H GLY 135 H GLY 135 2.180 -11.243 11.616 1092 HA2 GLY 135 2HA GLY 135 1.762 -13.191 12.771 1093 HA3 GLY 135 1HA GLY 135 0.556 -12.295 13.691 Start of MODEL 4 1 H1 MET 1 H MET 1 -2.824 5.893 -20.013 2 HA MET 1 HA MET 1 -2.961 3.604 -18.533 3 HB2 MET 1 2HB MET 1 -0.646 4.249 -20.372 4 HB3 MET 1 1HB MET 1 -1.272 2.650 -19.971 5 HG2 MET 1 2HG MET 1 -3.211 4.618 -21.083 6 HG3 MET 1 1HG MET 1 -2.017 3.953 -22.197 7 HE1 MET 1 3HE MET 1 -4.457 3.510 -23.178 8 HE2 MET 1 1HE MET 1 -4.936 1.809 -23.238 9 HE3 MET 1 2HE MET 1 -3.327 2.292 -23.765 10 H ASN 2 H ASN 2 -0.370 6.012 -18.455 11 HA ASN 2 HA ASN 2 1.362 4.573 -16.726 12 HB2 ASN 2 2HB ASN 2 2.348 6.350 -17.923 13 HB3 ASN 2 1HB ASN 2 1.088 7.486 -17.443 14 HD21 ASN 2 1HD2 ASN 2 1.485 8.722 -15.579 15 HD22 ASN 2 2HD2 ASN 2 2.763 8.435 -14.498 16 H LYS 3 H LYS 3 -1.682 5.655 -16.141 17 HA LYS 3 HA LYS 3 -2.919 6.022 -14.240 18 HB2 LYS 3 2HB LYS 3 -1.910 3.919 -13.499 19 HB3 LYS 3 1HB LYS 3 -0.489 4.789 -12.918 20 HG2 LYS 3 2HG LYS 3 -1.673 5.815 -11.167 21 HG3 LYS 3 1HG LYS 3 -3.237 5.535 -11.936 22 HD2 LYS 3 2HD LYS 3 -1.661 3.101 -11.317 23 HD3 LYS 3 1HD LYS 3 -2.271 3.991 -9.921 24 HE2 LYS 3 2HE LYS 3 -3.787 2.162 -11.035 25 HE3 LYS 3 1HE LYS 3 -4.505 3.694 -10.537 26 HZ1 LYS 3 3HZ LYS 3 -3.636 4.255 -13.016 27 HZ2 LYS 3 1HZ LYS 3 -5.217 3.771 -12.641 28 HZ3 LYS 3 2HZ LYS 3 -4.086 2.626 -13.186 29 H GLU 4 H GLU 4 -3.277 7.650 -12.762 30 HA GLU 4 HA GLU 4 -1.548 9.915 -12.884 31 HB2 GLU 4 2HB GLU 4 -3.979 9.303 -11.196 32 HB3 GLU 4 1HB GLU 4 -3.138 10.852 -11.162 33 HG2 GLU 4 2HG GLU 4 -3.475 10.366 -13.876 34 HG3 GLU 4 1HG GLU 4 -4.981 9.785 -13.167 35 H LEU 5 H LEU 5 -0.312 10.865 -11.252 36 HA LEU 5 HA LEU 5 1.151 9.116 -9.603 37 HB2 LEU 5 2HB LEU 5 1.315 11.811 -10.400 38 HB3 LEU 5 1HB LEU 5 1.221 11.845 -8.644 39 HG LEU 5 HG LEU 5 3.523 11.670 -9.091 40 HD11 LEU 5 1HD1 LEU 5 2.295 9.693 -7.715 41 HD12 LEU 5 2HD1 LEU 5 4.040 9.859 -7.837 42 HD13 LEU 5 3HD1 LEU 5 3.184 8.748 -8.905 43 HD21 LEU 5 3HD2 LEU 5 3.864 11.190 -11.314 44 HD22 LEU 5 1HD2 LEU 5 2.599 9.961 -11.346 45 HD23 LEU 5 2HD2 LEU 5 4.178 9.583 -10.657 46 H LEU 6 H LEU 6 -1.862 10.723 -9.141 47 HA LEU 6 HA LEU 6 -1.917 11.090 -6.399 48 HB2 LEU 6 2HB LEU 6 -4.306 10.960 -6.474 49 HB3 LEU 6 1HB LEU 6 -3.730 11.813 -7.910 50 HG LEU 6 HG LEU 6 -3.727 9.380 -8.971 51 HD11 LEU 6 1HD1 LEU 6 -4.541 7.840 -7.517 52 HD12 LEU 6 2HD1 LEU 6 -6.117 8.529 -7.897 53 HD13 LEU 6 3HD1 LEU 6 -5.248 9.063 -6.464 54 HD21 LEU 6 3HD2 LEU 6 -5.873 9.879 -9.937 55 HD22 LEU 6 1HD2 LEU 6 -5.074 11.420 -9.629 56 HD23 LEU 6 2HD2 LEU 6 -6.339 10.851 -8.541 57 H GLN 7 H GLN 7 -0.769 8.368 -7.440 58 HA GLN 7 HA GLN 7 -2.370 6.326 -6.323 59 HB2 GLN 7 2HB GLN 7 -0.394 4.978 -6.334 60 HB3 GLN 7 1HB GLN 7 -0.198 6.068 -7.709 61 HG2 GLN 7 2HG GLN 7 0.977 7.633 -5.962 62 HG3 GLN 7 1HG GLN 7 1.162 6.147 -5.030 63 HE21 GLN 7 1HE2 GLN 7 1.828 4.213 -6.805 64 HE22 GLN 7 2HE2 GLN 7 3.201 4.635 -7.709 65 H LEU 8 H LEU 8 -0.246 8.780 -5.157 66 HA LEU 8 HA LEU 8 -0.956 8.077 -2.371 67 HB2 LEU 8 2HB LEU 8 1.596 9.126 -3.556 68 HB3 LEU 8 1HB LEU 8 1.146 9.614 -1.926 69 HG LEU 8 HG LEU 8 1.084 6.710 -2.712 70 HD11 LEU 8 1HD1 LEU 8 3.405 6.520 -1.853 71 HD12 LEU 8 2HD1 LEU 8 3.489 8.277 -1.728 72 HD13 LEU 8 3HD1 LEU 8 3.326 7.512 -3.309 73 HD21 LEU 8 3HD2 LEU 8 1.117 6.330 -0.397 74 HD22 LEU 8 1HD2 LEU 8 0.155 7.803 -0.514 75 HD23 LEU 8 2HD2 LEU 8 1.855 7.894 -0.054 76 HA PRO 9 HA PRO 9 -3.237 11.849 -3.746 77 HB2 PRO 9 2HB PRO 9 -4.762 11.124 -1.302 78 HB3 PRO 9 1HB PRO 9 -5.344 11.495 -2.934 79 HG2 PRO 9 2HG PRO 9 -5.326 9.002 -1.968 80 HG3 PRO 9 1HG PRO 9 -5.033 9.355 -3.680 81 HD2 PRO 9 2HD PRO 9 -3.079 8.566 -1.561 82 HD3 PRO 9 1HD PRO 9 -3.064 8.212 -3.303 83 H LEU 10 H LEU 10 -1.820 10.939 -0.736 84 HA LEU 10 HA LEU 10 -2.200 13.245 0.770 85 HB2 LEU 10 2HB LEU 10 0.175 12.677 1.681 86 HB3 LEU 10 1HB LEU 10 -1.249 11.717 2.103 87 HG LEU 10 HG LEU 10 -0.313 10.598 -0.300 88 HD11 LEU 10 1HD1 LEU 10 1.709 12.048 0.254 89 HD12 LEU 10 2HD1 LEU 10 2.020 10.336 -0.068 90 HD13 LEU 10 3HD1 LEU 10 2.000 10.934 1.592 91 HD21 LEU 10 3HD2 LEU 10 -1.232 9.219 1.369 92 HD22 LEU 10 1HD2 LEU 10 -0.184 9.880 2.623 93 HD23 LEU 10 2HD2 LEU 10 0.481 8.796 1.401 94 H PHE 11 H PHE 11 0.470 12.496 -1.441 95 HA PHE 11 HA PHE 11 1.458 15.196 -1.055 96 HB2 PHE 11 2HB PHE 11 3.419 14.577 -2.031 97 HB3 PHE 11 1HB PHE 11 2.920 13.037 -1.365 98 HD1 PHE 11 1HD PHE 11 2.754 15.141 -4.372 99 HD2 PHE 11 2HD PHE 11 2.577 11.163 -2.813 100 HE1 PHE 11 1HE PHE 11 2.781 14.242 -6.694 101 HE2 PHE 11 2HE PHE 11 2.600 10.248 -5.123 102 HZ PHE 11 HZ PHE 11 2.705 11.789 -7.060 103 H GLU 12 H GLU 12 0.208 13.195 -3.718 104 HA GLU 12 HA GLU 12 0.364 15.058 -5.771 105 HB2 GLU 12 2HB GLU 12 -0.347 12.693 -6.067 106 HB3 GLU 12 1HB GLU 12 -1.882 13.084 -5.295 107 HG2 GLU 12 2HG GLU 12 -1.935 13.110 -7.818 108 HG3 GLU 12 1HG GLU 12 -2.489 14.587 -7.035 109 H SER 13 H SER 13 -1.467 15.145 -2.916 110 HA SER 13 HA SER 13 -3.283 17.206 -3.998 111 HB2 SER 13 2HB SER 13 -4.703 16.780 -2.099 112 HB3 SER 13 1HB SER 13 -4.298 15.229 -2.826 113 HG SER 13 HG SER 13 -3.556 14.734 -0.930 114 H ALA 14 H ALA 14 -0.444 16.783 -2.226 115 HA ALA 14 HA ALA 14 -0.798 19.197 -0.598 116 HB1 ALA 14 1HB ALA 14 1.810 17.777 -0.720 117 HB2 ALA 14 2HB ALA 14 0.461 16.891 -0.002 118 HB3 ALA 14 3HB ALA 14 0.951 18.442 0.675 119 H SER 15 H SER 15 1.174 20.657 -0.553 120 HA SER 15 HA SER 15 1.633 21.685 -3.175 121 HB2 SER 15 2HB SER 15 1.752 22.889 -0.831 122 HB3 SER 15 1HB SER 15 3.420 22.320 -0.844 123 HG SER 15 HG SER 15 2.402 24.416 -2.084 124 H ARG 16 H ARG 16 3.497 21.445 -4.457 125 HA ARG 16 HA ARG 16 4.732 19.003 -4.491 126 HB2 ARG 16 2HB ARG 16 5.758 21.701 -5.403 127 HB3 ARG 16 1HB ARG 16 6.672 20.217 -5.668 128 HG2 ARG 16 2HG ARG 16 3.779 20.338 -6.467 129 HG3 ARG 16 1HG ARG 16 5.006 21.044 -7.520 130 HD2 ARG 16 2HD ARG 16 6.248 18.811 -7.309 131 HD3 ARG 16 1HD ARG 16 4.761 18.172 -6.612 132 HE ARG 16 HE ARG 16 3.787 18.248 -8.730 133 HH11 ARG 16 1HH2 ARG 16 6.771 19.997 -8.634 134 HH12 ARG 16 2HH2 ARG 16 6.853 20.224 -10.350 135 HH21 ARG 16 1HH1 ARG 16 3.885 18.544 -10.978 136 HH22 ARG 16 2HH1 ARG 16 5.217 19.402 -11.678 137 H GLY 17 H GLY 17 5.147 21.566 -2.297 138 HA2 GLY 17 2HA GLY 17 7.765 21.165 -1.369 139 HA3 GLY 17 1HA GLY 17 6.433 21.804 -0.408 140 H CYS 18 H CYS 18 4.679 19.600 -0.410 141 HA CYS 18 HA CYS 18 5.915 17.954 1.598 142 HB2 CYS 18 2HB CYS 18 3.275 18.479 0.755 143 HB3 CYS 18 1HB CYS 18 3.531 16.759 0.427 144 HG CYS 18 HG CYS 18 4.531 17.503 3.199 145 H LEU 19 H LEU 19 5.360 17.697 -1.861 146 HA LEU 19 HA LEU 19 5.976 14.911 -1.940 147 HB2 LEU 19 2HB LEU 19 4.766 16.115 -3.783 148 HB3 LEU 19 1HB LEU 19 6.292 16.896 -4.202 149 HG LEU 19 HG LEU 19 7.324 14.784 -4.721 150 HD11 LEU 19 1HD1 LEU 19 4.949 13.660 -3.266 151 HD12 LEU 19 2HD1 LEU 19 6.638 13.150 -3.239 152 HD13 LEU 19 3HD1 LEU 19 5.615 12.725 -4.608 153 HD21 LEU 19 3HD2 LEU 19 4.788 15.582 -5.943 154 HD22 LEU 19 1HD2 LEU 19 5.153 13.875 -6.196 155 HD23 LEU 19 2HD2 LEU 19 6.304 15.109 -6.711 156 H ARG 20 H ARG 20 7.810 17.862 -1.918 157 HA ARG 20 HA ARG 20 10.337 16.718 -2.644 158 HB2 ARG 20 2HB ARG 20 11.024 18.872 -2.507 159 HB3 ARG 20 1HB ARG 20 9.355 19.287 -2.130 160 HG2 ARG 20 2HG ARG 20 10.701 20.208 -0.392 161 HG3 ARG 20 1HG ARG 20 9.875 18.831 0.284 162 HD2 ARG 20 2HD ARG 20 12.668 19.294 0.192 163 HD3 ARG 20 1HD ARG 20 11.839 17.868 0.804 164 HE ARG 20 HE ARG 20 11.919 17.030 -1.565 165 HH11 ARG 20 1HH2 ARG 20 14.158 19.433 -0.421 166 HH12 ARG 20 2HH2 ARG 20 15.374 19.034 -1.584 167 HH21 ARG 20 1HH1 ARG 20 13.520 16.521 -3.078 168 HH22 ARG 20 2HH1 ARG 20 15.017 17.394 -3.081 169 H SER 21 H SER 21 8.506 17.291 0.256 170 HA SER 21 HA SER 21 10.317 16.486 2.271 171 HB2 SER 21 2HB SER 21 7.345 16.099 2.305 172 HB3 SER 21 1HB SER 21 8.411 16.515 3.649 173 HG SER 21 HG SER 21 7.299 18.334 2.893 174 H LEU 22 H LEU 22 7.797 14.756 0.546 175 HA LEU 22 HA LEU 22 8.318 12.195 1.610 176 HB2 LEU 22 2HB LEU 22 6.710 13.334 -0.497 177 HB3 LEU 22 1HB LEU 22 7.499 11.861 -1.062 178 HG LEU 22 HG LEU 22 6.658 10.644 0.902 179 HD11 LEU 22 1HD1 LEU 22 5.618 11.637 2.657 180 HD12 LEU 22 2HD1 LEU 22 4.735 12.761 1.627 181 HD13 LEU 22 3HD1 LEU 22 6.403 13.108 2.079 182 HD21 LEU 22 3HD2 LEU 22 5.181 10.346 -0.834 183 HD22 LEU 22 1HD2 LEU 22 4.859 12.078 -0.989 184 HD23 LEU 22 2HD2 LEU 22 4.118 11.159 0.322 185 H SER 23 H SER 23 9.492 13.822 -1.316 186 HA SER 23 HA SER 23 11.059 11.745 -2.274 187 HB2 SER 23 2HB SER 23 10.820 13.267 -3.880 188 HB3 SER 23 1HB SER 23 10.932 14.633 -2.761 189 HG SER 23 HG SER 23 12.896 14.733 -3.566 190 H LEU 24 H LEU 24 11.702 14.024 0.262 191 HA LEU 24 HA LEU 24 14.488 13.650 0.424 192 HB2 LEU 24 2HB LEU 24 12.410 14.779 2.079 193 HB3 LEU 24 1HB LEU 24 13.528 13.822 3.051 194 HG LEU 24 HG LEU 24 14.206 16.226 2.742 195 HD11 LEU 24 1HD1 LEU 24 15.776 13.817 2.367 196 HD12 LEU 24 2HD1 LEU 24 16.181 15.276 3.271 197 HD13 LEU 24 3HD1 LEU 24 16.515 15.189 1.542 198 HD21 LEU 24 3HD2 LEU 24 15.316 15.765 0.088 199 HD22 LEU 24 1HD2 LEU 24 14.388 17.140 0.684 200 HD23 LEU 24 2HD2 LEU 24 13.554 15.706 0.086 201 H ILE 25 H ILE 25 11.715 11.723 1.359 202 HA ILE 25 HA ILE 25 13.582 9.576 2.185 203 HB ILE 25 HB ILE 25 12.120 10.648 4.031 204 HG12 ILE 25 2HG1 ILE 25 11.508 7.921 4.416 205 HG13 ILE 25 1HG1 ILE 25 12.947 7.936 3.437 206 HG21 ILE 25 1HG2 ILE 25 10.106 8.644 3.303 207 HG22 ILE 25 2HG2 ILE 25 10.097 10.075 2.259 208 HG23 ILE 25 3HG2 ILE 25 9.870 10.243 4.005 209 HD11 ILE 25 3HD1 ILE 25 13.824 8.037 5.614 210 HD12 ILE 25 1HD1 ILE 25 12.510 9.070 6.186 211 HD13 ILE 25 2HD1 ILE 25 13.780 9.739 5.154 212 H ILE 26 H ILE 26 12.166 10.119 -0.489 213 HA ILE 26 HA ILE 26 10.167 8.165 -0.802 214 HB ILE 26 HB ILE 26 11.819 9.884 -2.558 215 HG12 ILE 26 2HG1 ILE 26 9.488 10.421 -1.643 216 HG13 ILE 26 1HG1 ILE 26 9.691 10.576 -3.390 217 HG21 ILE 26 1HG2 ILE 26 10.561 7.350 -3.387 218 HG22 ILE 26 2HG2 ILE 26 12.166 7.934 -3.789 219 HG23 ILE 26 3HG2 ILE 26 10.737 8.665 -4.534 220 HD11 ILE 26 3HD1 ILE 26 7.766 9.068 -2.110 221 HD12 ILE 26 1HD1 ILE 26 8.971 7.889 -2.623 222 HD13 ILE 26 2HD1 ILE 26 8.230 8.965 -3.809 223 H LYS 27 H LYS 27 10.273 6.039 -1.283 224 HA LYS 27 HA LYS 27 12.965 4.918 -1.826 225 HB2 LYS 27 2HB LYS 27 10.763 3.475 -0.335 226 HB3 LYS 27 1HB LYS 27 12.436 2.966 -0.542 227 HG2 LYS 27 2HG LYS 27 12.190 5.647 0.621 228 HG3 LYS 27 1HG LYS 27 11.462 4.388 1.620 229 HD2 LYS 27 2HD LYS 27 13.610 3.063 1.315 230 HD3 LYS 27 1HD LYS 27 14.311 4.516 0.605 231 HE2 LYS 27 2HE LYS 27 13.035 5.326 3.005 232 HE3 LYS 27 1HE LYS 27 13.955 3.872 3.388 233 HZ1 LYS 27 3HZ LYS 27 15.875 4.913 2.249 234 HZ2 LYS 27 1HZ LYS 27 15.378 5.748 3.640 235 HZ3 LYS 27 2HZ LYS 27 14.972 6.346 2.102 236 H THR 28 H THR 28 13.111 3.356 -3.429 237 HA THR 28 HA THR 28 10.620 2.862 -4.951 238 HB THR 28 HB THR 28 11.679 3.279 -6.947 239 HG1 THR 28 1HG THR 28 13.558 2.446 -7.344 240 HG21 THR 28 3HG2 THR 28 13.232 5.214 -6.672 241 HG22 THR 28 1HG2 THR 28 13.291 4.879 -4.941 242 HG23 THR 28 2HG2 THR 28 11.772 5.365 -5.694 243 H SER 29 H SER 29 10.069 0.794 -5.173 244 HA SER 29 HA SER 29 12.172 -1.270 -4.885 245 HB2 SER 29 2HB SER 29 10.168 -2.684 -3.999 246 HB3 SER 29 1HB SER 29 10.940 -1.534 -2.907 247 HG SER 29 HG SER 29 8.424 -1.527 -4.025 248 H PHE 30 H PHE 30 12.168 -2.910 -6.372 249 HA PHE 30 HA PHE 30 9.986 -2.888 -8.367 250 HB2 PHE 30 2HB PHE 30 12.565 -3.720 -9.434 251 HB3 PHE 30 1HB PHE 30 11.417 -2.541 -10.059 252 HD1 PHE 30 1HD PHE 30 14.195 -3.050 -7.667 253 HD2 PHE 30 2HD PHE 30 11.669 -0.195 -9.639 254 HE1 PHE 30 1HE PHE 30 15.657 -1.210 -6.871 255 HE2 PHE 30 2HE PHE 30 13.127 1.647 -8.846 256 HZ PHE 30 HZ PHE 30 15.122 1.139 -7.461 257 H CYS 31 H CYS 31 9.326 -4.848 -9.181 258 HA CYS 31 HA CYS 31 10.668 -7.253 -8.112 259 HB2 CYS 31 2HB CYS 31 7.674 -6.979 -8.383 260 HB3 CYS 31 1HB CYS 31 8.578 -8.289 -7.613 261 HG CYS 31 HG CYS 31 7.817 -6.685 -5.704 262 H ALA 32 H ALA 32 10.482 -9.129 -9.386 263 HA ALA 32 HA ALA 32 9.822 -8.597 -12.216 264 HB1 ALA 32 1HB ALA 32 12.131 -9.770 -10.877 265 HB2 ALA 32 2HB ALA 32 11.975 -9.188 -12.538 266 HB3 ALA 32 3HB ALA 32 11.479 -10.830 -12.126 267 HA PRO 33 HA PRO 33 6.999 -11.997 -12.367 268 HB2 PRO 33 2HB PRO 33 8.599 -13.467 -14.377 269 HB3 PRO 33 1HB PRO 33 6.963 -12.803 -14.513 270 HG2 PRO 33 2HG PRO 33 9.069 -11.718 -15.775 271 HG3 PRO 33 1HG PRO 33 7.703 -10.754 -15.189 272 HD2 PRO 33 2HD PRO 33 10.449 -11.025 -14.037 273 HD3 PRO 33 1HD PRO 33 9.360 -9.620 -14.050 274 H GLY 34 H GLY 34 6.823 -13.586 -10.860 275 HA2 GLY 34 2HA GLY 34 7.315 -15.463 -9.603 276 HA3 GLY 34 1HA GLY 34 8.623 -15.808 -10.735 277 H GLU 35 H GLU 35 8.969 -12.661 -9.732 278 HA GLU 35 HA GLU 35 11.270 -13.296 -8.123 279 HB2 GLU 35 2HB GLU 35 10.679 -11.210 -9.718 280 HB3 GLU 35 1HB GLU 35 10.289 -10.534 -8.141 281 HG2 GLU 35 2HG GLU 35 12.547 -10.049 -8.253 282 HG3 GLU 35 1HG GLU 35 12.574 -11.619 -7.459 283 H PHE 36 H PHE 36 11.388 -13.502 -5.986 284 HA PHE 36 HA PHE 36 8.979 -13.137 -4.398 285 HB2 PHE 36 2HB PHE 36 11.545 -14.001 -3.169 286 HB3 PHE 36 1HB PHE 36 9.907 -14.598 -2.901 287 HD1 PHE 36 2HD PHE 36 12.806 -14.677 -5.208 288 HD2 PHE 36 1HD PHE 36 8.972 -16.358 -4.249 289 HE1 PHE 36 2HE PHE 36 13.212 -16.520 -6.817 290 HE2 PHE 36 1HE PHE 36 9.377 -18.200 -5.859 291 HZ PHE 36 HZ PHE 36 11.498 -18.282 -7.141 292 H LEU 37 H LEU 37 8.533 -11.301 -3.387 293 HA LEU 37 HA LEU 37 10.681 -9.400 -2.779 294 HB2 LEU 37 2HB LEU 37 8.208 -8.979 -3.781 295 HB3 LEU 37 1HB LEU 37 7.879 -8.784 -2.061 296 HG LEU 37 HG LEU 37 9.707 -7.129 -1.902 297 HD11 LEU 37 1HD1 LEU 37 10.123 -8.044 -4.695 298 HD12 LEU 37 2HD1 LEU 37 11.296 -7.440 -3.525 299 HD13 LEU 37 3HD1 LEU 37 10.285 -6.309 -4.425 300 HD21 LEU 37 3HD2 LEU 37 8.530 -5.576 -3.817 301 HD22 LEU 37 1HD2 LEU 37 7.823 -5.884 -2.231 302 HD23 LEU 37 2HD2 LEU 37 7.318 -6.843 -3.623 303 H ILE 38 H ILE 38 7.946 -10.998 -1.095 304 HA ILE 38 HA ILE 38 9.441 -10.648 1.403 305 HB ILE 38 HB ILE 38 6.921 -9.658 0.880 306 HG12 ILE 38 2HG1 ILE 38 6.975 -9.990 3.625 307 HG13 ILE 38 1HG1 ILE 38 8.684 -9.989 3.195 308 HG21 ILE 38 1HG2 ILE 38 6.713 -12.123 2.591 309 HG22 ILE 38 2HG2 ILE 38 6.035 -11.952 0.983 310 HG23 ILE 38 3HG2 ILE 38 5.418 -10.968 2.295 311 HD11 ILE 38 3HD1 ILE 38 6.636 -7.836 2.766 312 HD12 ILE 38 1HD1 ILE 38 8.007 -7.965 1.658 313 HD13 ILE 38 2HD1 ILE 38 8.285 -7.698 3.385 314 H ARG 39 H ARG 39 9.511 -12.317 2.885 315 HA ARG 39 HA ARG 39 8.488 -14.912 1.932 316 HB2 ARG 39 2HB ARG 39 10.856 -15.423 3.385 317 HB3 ARG 39 1HB ARG 39 10.574 -15.658 1.668 318 HG2 ARG 39 2HG ARG 39 12.537 -14.201 2.111 319 HG3 ARG 39 1HG ARG 39 11.275 -13.397 1.174 320 HD2 ARG 39 2HD ARG 39 11.165 -11.796 2.743 321 HD3 ARG 39 1HD ARG 39 10.637 -13.018 3.901 322 HE ARG 39 HE ARG 39 13.343 -11.950 3.603 323 HH11 ARG 39 1HH2 ARG 39 11.212 -14.328 4.937 324 HH12 ARG 39 2HH2 ARG 39 12.295 -14.784 6.209 325 HH21 ARG 39 1HH1 ARG 39 14.767 -12.541 5.269 326 HH22 ARG 39 2HH1 ARG 39 14.309 -13.771 6.398 327 H GLN 40 H GLN 40 6.945 -15.299 3.310 328 HA GLN 40 HA GLN 40 5.907 -14.731 5.507 329 HB2 GLN 40 2HB GLN 40 7.075 -17.430 5.922 330 HB3 GLN 40 1HB GLN 40 5.398 -16.904 6.015 331 HG2 GLN 40 2HG GLN 40 5.409 -18.172 4.047 332 HG3 GLN 40 1HG GLN 40 5.630 -16.532 3.440 333 HE21 GLN 40 1HE2 GLN 40 7.200 -19.652 3.866 334 HE22 GLN 40 2HE2 GLN 40 8.619 -19.258 3.024 335 H GLY 41 H GLY 41 6.368 -13.857 7.405 336 HA2 GLY 41 2HA GLY 41 7.369 -13.749 9.532 337 HA3 GLY 41 1HA GLY 41 8.665 -14.783 8.951 338 H ASP 42 H ASP 42 8.055 -12.353 6.712 339 HA ASP 42 HA ASP 42 10.569 -11.086 7.288 340 HB2 ASP 42 2HB ASP 42 8.768 -11.185 5.072 341 HB3 ASP 42 1HB ASP 42 9.060 -9.493 5.478 342 H ALA 43 H ALA 43 10.426 -8.514 6.976 343 HA ALA 43 HA ALA 43 8.671 -7.564 9.158 344 HB1 ALA 43 1HB ALA 43 11.526 -7.115 8.496 345 HB2 ALA 43 2HB ALA 43 10.735 -7.198 10.072 346 HB3 ALA 43 3HB ALA 43 10.630 -5.723 9.107 347 H LEU 44 H LEU 44 7.086 -6.318 8.424 348 HA LEU 44 HA LEU 44 7.404 -4.844 5.907 349 HB2 LEU 44 2HB LEU 44 5.374 -6.280 6.402 350 HB3 LEU 44 1HB LEU 44 4.919 -5.061 7.595 351 HG LEU 44 HG LEU 44 5.640 -3.680 5.212 352 HD11 LEU 44 1HD1 LEU 44 5.237 -5.860 4.075 353 HD12 LEU 44 2HD1 LEU 44 4.071 -4.625 3.596 354 HD13 LEU 44 3HD1 LEU 44 3.605 -5.880 4.746 355 HD21 LEU 44 3HD2 LEU 44 3.413 -2.811 5.398 356 HD22 LEU 44 1HD2 LEU 44 3.990 -3.092 7.040 357 HD23 LEU 44 2HD2 LEU 44 2.868 -4.230 6.292 358 H GLN 45 H GLN 45 8.152 -2.830 6.018 359 HA GLN 45 HA GLN 45 7.392 -1.183 8.356 360 HB2 GLN 45 2HB GLN 45 9.932 -1.922 7.761 361 HB3 GLN 45 1HB GLN 45 9.813 -0.426 6.834 362 HG2 GLN 45 2HG GLN 45 10.423 0.488 8.850 363 HG3 GLN 45 1HG GLN 45 8.684 0.416 9.124 364 HE21 GLN 45 1HE2 GLN 45 9.242 -2.733 9.135 365 HE22 GLN 45 2HE2 GLN 45 9.703 -2.995 10.747 366 H ALA 46 H ALA 46 8.136 -1.180 4.886 367 HA ALA 46 HA ALA 46 6.835 1.458 4.646 368 HB1 ALA 46 1HB ALA 46 8.949 1.576 3.612 369 HB2 ALA 46 2HB ALA 46 7.843 1.295 2.271 370 HB3 ALA 46 3HB ALA 46 8.797 -0.038 2.919 371 H ILE 47 H ILE 47 5.388 1.812 2.857 372 HA ILE 47 HA ILE 47 3.817 -0.602 2.189 373 HB ILE 47 HB ILE 47 2.406 0.920 3.342 374 HG12 ILE 47 2HG1 ILE 47 2.024 1.516 0.393 375 HG13 ILE 47 1HG1 ILE 47 1.501 0.028 1.182 376 HG21 ILE 47 1HG2 ILE 47 3.224 3.166 1.497 377 HG22 ILE 47 2HG2 ILE 47 4.084 2.852 3.004 378 HG23 ILE 47 3HG2 ILE 47 2.370 3.269 3.039 379 HD11 ILE 47 3HD1 ILE 47 0.008 2.365 0.974 380 HD12 ILE 47 1HD1 ILE 47 0.624 2.412 2.626 381 HD13 ILE 47 2HD1 ILE 47 -0.318 1.027 2.076 382 H TYR 48 H TYR 48 3.366 -1.072 0.034 383 HA TYR 48 HA TYR 48 4.800 0.621 -1.922 384 HB2 TYR 48 2HB TYR 48 4.124 -2.227 -2.548 385 HB3 TYR 48 1HB TYR 48 5.438 -1.229 -3.147 386 HD1 TYR 48 1HD TYR 48 4.284 -2.386 0.274 387 HD2 TYR 48 2HD TYR 48 7.519 -1.952 -2.519 388 HE1 TYR 48 1HE TYR 48 5.832 -3.404 1.910 389 HE2 TYR 48 2HE TYR 48 9.068 -2.973 -0.878 390 HH TYR 48 HH TYR 48 8.364 -3.314 2.349 391 H PHE 49 H PHE 49 3.981 0.822 -3.998 392 HA PHE 49 HA PHE 49 1.103 0.255 -4.369 393 HB2 PHE 49 2HB PHE 49 2.183 2.819 -4.089 394 HB3 PHE 49 1HB PHE 49 2.073 2.581 -5.832 395 HD1 PHE 49 1HD PHE 49 -0.219 1.676 -6.782 396 HD2 PHE 49 2HD PHE 49 0.291 3.417 -2.867 397 HE1 PHE 49 1HE PHE 49 -2.643 2.159 -6.664 398 HE2 PHE 49 2HE PHE 49 -2.139 3.883 -2.764 399 HZ PHE 49 HZ PHE 49 -3.605 3.255 -4.662 400 H VAL 50 H VAL 50 0.664 -0.640 -6.337 401 HA VAL 50 HA VAL 50 2.937 -1.035 -8.127 402 HB VAL 50 HB VAL 50 0.760 -2.634 -7.151 403 HG11 VAL 50 1HG1 VAL 50 -0.184 -2.004 -9.314 404 HG12 VAL 50 2HG1 VAL 50 0.151 -3.725 -9.231 405 HG13 VAL 50 3HG1 VAL 50 1.222 -2.649 -10.137 406 HG21 VAL 50 3HG2 VAL 50 2.234 -4.448 -8.071 407 HG22 VAL 50 1HG2 VAL 50 3.072 -3.323 -7.002 408 HG23 VAL 50 2HG2 VAL 50 3.271 -3.194 -8.751 409 H CYS 51 H CYS 51 3.008 -0.036 -10.043 410 HA CYS 51 HA CYS 51 0.680 1.587 -10.794 411 HB2 CYS 51 2HB CYS 51 3.604 1.661 -11.497 412 HB3 CYS 51 1HB CYS 51 2.419 2.512 -12.487 413 HG CYS 51 HG CYS 51 2.612 3.085 -9.418 414 H SER 52 H SER 52 2.635 -1.093 -11.871 415 HA SER 52 HA SER 52 0.651 -1.920 -13.767 416 HB2 SER 52 2HB SER 52 1.703 -1.504 -15.787 417 HB3 SER 52 1HB SER 52 2.151 -0.057 -14.887 418 HG SER 52 HG SER 52 3.767 -2.323 -14.645 419 H GLY 53 H GLY 53 0.875 -4.076 -14.281 420 HA2 GLY 53 2HA GLY 53 2.428 -5.984 -14.622 421 HA3 GLY 53 1HA GLY 53 3.257 -5.441 -13.167 422 H SER 54 H SER 54 2.853 -7.659 -12.361 423 HA SER 54 HA SER 54 0.264 -7.732 -10.970 424 HB2 SER 54 2HB SER 54 1.133 -10.288 -12.247 425 HB3 SER 54 1HB SER 54 -0.481 -9.746 -11.797 426 HG SER 54 HG SER 54 -0.612 -8.581 -13.604 427 H MET 55 H MET 55 0.235 -8.984 -9.081 428 HA MET 55 HA MET 55 2.568 -10.511 -8.309 429 HB2 MET 55 2HB MET 55 2.677 -8.976 -6.145 430 HB3 MET 55 1HB MET 55 3.605 -8.577 -7.588 431 HG2 MET 55 2HG MET 55 2.014 -6.966 -8.299 432 HG3 MET 55 1HG MET 55 0.813 -7.525 -7.136 433 HE1 MET 55 3HE MET 55 1.713 -6.469 -3.840 434 HE2 MET 55 1HE MET 55 2.964 -7.653 -4.239 435 HE3 MET 55 2HE MET 55 1.322 -7.865 -4.839 436 H GLU 56 H GLU 56 2.312 -11.420 -6.085 437 HA GLU 56 HA GLU 56 -0.293 -11.317 -4.858 438 HB2 GLU 56 2HB GLU 56 -0.579 -13.879 -5.255 439 HB3 GLU 56 1HB GLU 56 -1.060 -12.756 -6.525 440 HG2 GLU 56 2HG GLU 56 0.272 -14.602 -7.460 441 HG3 GLU 56 1HG GLU 56 1.115 -13.067 -7.655 442 H VAL 57 H VAL 57 -0.397 -12.542 -2.879 443 HA VAL 57 HA VAL 57 2.266 -13.107 -1.810 444 HB VAL 57 HB VAL 57 1.478 -12.668 0.308 445 HG11 VAL 57 1HG1 VAL 57 1.232 -10.577 -0.752 446 HG12 VAL 57 2HG1 VAL 57 -0.302 -10.810 0.083 447 HG13 VAL 57 3HG1 VAL 57 -0.192 -11.097 -1.650 448 HG21 VAL 57 3HG2 VAL 57 -1.114 -12.726 0.693 449 HG22 VAL 57 1HG2 VAL 57 -0.205 -14.235 0.656 450 HG23 VAL 57 2HG2 VAL 57 -1.117 -13.724 -0.761 451 H LEU 58 H LEU 58 2.920 -15.110 -1.177 452 HA LEU 58 HA LEU 58 1.105 -17.328 -1.838 453 HB2 LEU 58 2HB LEU 58 3.982 -16.848 -2.146 454 HB3 LEU 58 1HB LEU 58 3.579 -18.451 -1.533 455 HG LEU 58 HG LEU 58 2.375 -17.190 -4.016 456 HD11 LEU 58 1HD1 LEU 58 4.840 -17.903 -4.084 457 HD12 LEU 58 2HD1 LEU 58 3.779 -18.637 -5.285 458 HD13 LEU 58 3HD1 LEU 58 4.256 -19.551 -3.855 459 HD21 LEU 58 3HD2 LEU 58 1.891 -19.866 -4.165 460 HD22 LEU 58 1HD2 LEU 58 0.744 -18.712 -3.489 461 HD23 LEU 58 2HD2 LEU 58 1.806 -19.627 -2.419 462 H LYS 59 H LYS 59 0.225 -18.441 -0.256 463 HA LYS 59 HA LYS 59 1.764 -19.288 1.998 464 HB2 LYS 59 2HB LYS 59 1.316 -17.185 2.927 465 HB3 LYS 59 1HB LYS 59 -0.330 -17.172 2.344 466 HG2 LYS 59 2HG LYS 59 -0.348 -17.647 4.739 467 HG3 LYS 59 1HG LYS 59 -0.840 -19.100 3.877 468 HD2 LYS 59 2HD LYS 59 0.771 -19.699 5.605 469 HD3 LYS 59 1HD LYS 59 1.521 -19.929 4.031 470 HE2 LYS 59 2HE LYS 59 2.898 -18.695 5.830 471 HE3 LYS 59 1HE LYS 59 2.820 -17.958 4.227 472 HZ1 LYS 59 3HZ LYS 59 0.942 -16.604 5.047 473 HZ2 LYS 59 1HZ LYS 59 2.385 -16.299 5.882 474 HZ3 LYS 59 2HZ LYS 59 1.174 -17.248 6.600 475 H ASP 60 H ASP 60 0.885 -21.049 3.023 476 HA ASP 60 HA ASP 60 -0.413 -22.916 3.281 477 HB2 ASP 60 2HB ASP 60 -2.467 -20.803 2.711 478 HB3 ASP 60 1HB ASP 60 -2.944 -22.488 2.911 479 H ASN 61 H ASN 61 0.902 -22.659 0.817 480 HA ASN 61 HA ASN 61 0.990 -23.742 -1.203 481 HB2 ASN 61 2HB ASN 61 -0.381 -25.437 0.296 482 HB3 ASN 61 1HB ASN 61 -1.692 -24.979 -0.790 483 HD21 ASN 61 1HD2 ASN 61 0.635 -24.475 -2.873 484 HD22 ASN 61 2HD2 ASN 61 0.912 -26.033 -3.488 485 H THR 62 H THR 62 -1.366 -21.516 -0.397 486 HA THR 62 HA THR 62 -2.106 -21.235 -3.246 487 HB THR 62 HB THR 62 -3.935 -20.625 -0.938 488 HG1 THR 62 1HG THR 62 -5.068 -22.485 -1.992 489 HG21 THR 62 3HG2 THR 62 -4.403 -20.753 -3.933 490 HG22 THR 62 1HG2 THR 62 -4.286 -19.258 -2.993 491 HG23 THR 62 2HG2 THR 62 -5.624 -20.382 -2.718 492 H VAL 63 H VAL 63 -2.503 -19.106 -3.951 493 HA VAL 63 HA VAL 63 -0.843 -17.167 -2.686 494 HB VAL 63 HB VAL 63 -2.411 -15.755 -4.452 495 HG11 VAL 63 1HG1 VAL 63 0.072 -15.843 -4.285 496 HG12 VAL 63 2HG1 VAL 63 -0.501 -15.959 -5.948 497 HG13 VAL 63 3HG1 VAL 63 0.043 -17.404 -5.102 498 HG21 VAL 63 3HG2 VAL 63 -3.588 -17.865 -5.052 499 HG22 VAL 63 1HG2 VAL 63 -2.033 -18.583 -5.469 500 HG23 VAL 63 2HG2 VAL 63 -2.659 -17.230 -6.412 501 H LEU 64 H LEU 64 -1.428 -16.150 -0.852 502 HA LEU 64 HA LEU 64 -4.148 -16.171 0.029 503 HB2 LEU 64 2HB LEU 64 -1.639 -15.778 1.227 504 HB3 LEU 64 1HB LEU 64 -2.484 -14.247 1.429 505 HG LEU 64 HG LEU 64 -4.459 -16.055 2.082 506 HD11 LEU 64 1HD1 LEU 64 -2.070 -17.086 3.554 507 HD12 LEU 64 2HD1 LEU 64 -2.383 -17.728 1.936 508 HD13 LEU 64 3HD1 LEU 64 -3.600 -17.892 3.204 509 HD21 LEU 64 3HD2 LEU 64 -3.781 -13.994 3.300 510 HD22 LEU 64 1HD2 LEU 64 -2.383 -14.856 3.941 511 HD23 LEU 64 2HD2 LEU 64 -4.013 -15.361 4.390 512 H ALA 65 H ALA 65 -2.391 -14.202 -2.068 513 HA ALA 65 HA ALA 65 -4.621 -12.309 -2.119 514 HB1 ALA 65 1HB ALA 65 -3.523 -10.572 -1.241 515 HB2 ALA 65 2HB ALA 65 -2.213 -10.778 -2.398 516 HB3 ALA 65 3HB ALA 65 -2.175 -11.640 -0.862 517 H ILE 66 H ILE 66 -5.137 -11.737 -4.130 518 HA ILE 66 HA ILE 66 -3.142 -12.167 -6.262 519 HB ILE 66 HB ILE 66 -6.055 -12.968 -6.224 520 HG12 ILE 66 2HG1 ILE 66 -4.755 -15.081 -7.199 521 HG13 ILE 66 1HG1 ILE 66 -3.400 -14.354 -6.337 522 HG21 ILE 66 1HG2 ILE 66 -5.582 -11.809 -8.337 523 HG22 ILE 66 2HG2 ILE 66 -5.735 -13.542 -8.621 524 HG23 ILE 66 3HG2 ILE 66 -4.138 -12.794 -8.571 525 HD11 ILE 66 3HD1 ILE 66 -4.866 -14.247 -4.288 526 HD12 ILE 66 1HD1 ILE 66 -4.500 -15.887 -4.819 527 HD13 ILE 66 2HD1 ILE 66 -6.075 -15.175 -5.171 528 H LEU 67 H LEU 67 -2.664 -10.040 -6.769 529 HA LEU 67 HA LEU 67 -4.958 -8.336 -7.481 530 HB2 LEU 67 2HB LEU 67 -3.133 -6.525 -6.547 531 HB3 LEU 67 1HB LEU 67 -4.535 -7.105 -5.656 532 HG LEU 67 HG LEU 67 -3.100 -8.978 -4.779 533 HD11 LEU 67 1HD1 LEU 67 -1.457 -8.378 -6.817 534 HD12 LEU 67 2HD1 LEU 67 -0.878 -9.157 -5.342 535 HD13 LEU 67 3HD1 LEU 67 -0.690 -7.415 -5.555 536 HD21 LEU 67 3HD2 LEU 67 -2.442 -7.680 -3.002 537 HD22 LEU 67 1HD2 LEU 67 -3.393 -6.452 -3.837 538 HD23 LEU 67 2HD2 LEU 67 -1.641 -6.496 -4.033 539 H GLY 68 H GLY 68 -4.392 -6.455 -8.814 540 HA2 GLY 68 2HA GLY 68 -2.113 -7.032 -10.612 541 HA3 GLY 68 1HA GLY 68 -3.680 -6.494 -11.203 542 H LYS 69 H LYS 69 -2.745 -4.683 -12.204 543 HA LYS 69 HA LYS 69 -1.035 -2.807 -11.130 544 HB2 LYS 69 2HB LYS 69 -3.285 -2.119 -12.997 545 HB3 LYS 69 1HB LYS 69 -1.670 -1.433 -12.918 546 HG2 LYS 69 2HG LYS 69 -1.140 -2.894 -14.565 547 HG3 LYS 69 1HG LYS 69 -1.153 -4.117 -13.295 548 HD2 LYS 69 2HD LYS 69 -2.621 -4.979 -14.939 549 HD3 LYS 69 1HD LYS 69 -3.694 -4.270 -13.733 550 HE2 LYS 69 2HE LYS 69 -4.580 -2.976 -15.345 551 HE3 LYS 69 1HE LYS 69 -3.017 -2.179 -15.516 552 HZ1 LYS 69 3HZ LYS 69 -4.248 -3.652 -17.426 553 HZ2 LYS 69 1HZ LYS 69 -3.130 -4.754 -16.783 554 HZ3 LYS 69 2HZ LYS 69 -2.594 -3.263 -17.398 555 H GLY 70 H GLY 70 -1.210 -0.990 -9.939 556 HA2 GLY 70 2HA GLY 70 -2.177 0.780 -8.796 557 HA3 GLY 70 1HA GLY 70 -3.758 0.171 -9.226 558 H ASP 71 H ASP 71 -2.656 -2.537 -8.135 559 HA ASP 71 HA ASP 71 -4.005 -2.575 -5.725 560 HB2 ASP 71 2HB ASP 71 -3.064 -4.683 -5.365 561 HB3 ASP 71 1HB ASP 71 -3.014 -4.495 -7.116 562 H LEU 72 H LEU 72 -3.129 -2.892 -3.530 563 HA LEU 72 HA LEU 72 -0.687 -1.321 -3.014 564 HB2 LEU 72 2HB LEU 72 -2.730 0.079 -2.635 565 HB3 LEU 72 1HB LEU 72 -3.236 -1.080 -1.403 566 HG LEU 72 HG LEU 72 -0.806 -0.686 -0.460 567 HD11 LEU 72 1HD1 LEU 72 0.350 1.107 -1.226 568 HD12 LEU 72 2HD1 LEU 72 -1.103 2.101 -1.354 569 HD13 LEU 72 3HD1 LEU 72 -0.688 0.973 -2.645 570 HD21 LEU 72 3HD2 LEU 72 -3.370 0.664 -0.077 571 HD22 LEU 72 1HD2 LEU 72 -2.009 1.674 0.404 572 HD23 LEU 72 2HD2 LEU 72 -2.225 0.080 1.128 573 H ILE 73 H ILE 73 0.590 -2.070 -1.401 574 HA ILE 73 HA ILE 73 -0.310 -4.487 0.011 575 HB ILE 73 HB ILE 73 1.380 -5.134 -1.520 576 HG12 ILE 73 2HG1 ILE 73 3.286 -5.741 -0.069 577 HG13 ILE 73 1HG1 ILE 73 2.695 -4.626 1.162 578 HG21 ILE 73 1HG2 ILE 73 2.397 -2.528 -0.793 579 HG22 ILE 73 2HG2 ILE 73 2.353 -3.345 -2.353 580 HG23 ILE 73 3HG2 ILE 73 3.600 -3.764 -1.171 581 HD11 ILE 73 3HD1 ILE 73 0.863 -6.752 0.094 582 HD12 ILE 73 1HD1 ILE 73 0.848 -5.958 1.668 583 HD13 ILE 73 2HD1 ILE 73 2.071 -7.176 1.306 584 H GLY 74 H GLY 74 -0.481 -4.292 2.142 585 HA2 GLY 74 2HA GLY 74 1.120 -3.636 4.099 586 HA3 GLY 74 1HA GLY 74 0.817 -2.016 3.478 587 H SER 75 H SER 75 0.101 -3.208 6.096 588 HA SER 75 HA SER 75 -2.754 -3.603 6.083 589 HB2 SER 75 2HB SER 75 -1.985 -3.011 8.697 590 HB3 SER 75 1HB SER 75 -2.152 -4.618 7.994 591 HG SER 75 HG SER 75 0.125 -3.062 8.442 592 H ASP 76 H ASP 76 -4.344 -2.217 6.744 593 HA ASP 76 HA ASP 76 -3.820 0.599 6.411 594 HB2 ASP 76 2HB ASP 76 -6.144 0.870 6.367 595 HB3 ASP 76 1HB ASP 76 -5.920 -0.743 5.689 596 H SER 77 H SER 77 -5.491 1.846 8.135 597 HA SER 77 HA SER 77 -5.726 2.642 10.283 598 HB2 SER 77 2HB SER 77 -5.881 1.118 11.967 599 HB3 SER 77 1HB SER 77 -5.805 -0.037 10.638 600 HG SER 77 HG SER 77 -4.088 0.317 12.644 601 H LEU 78 H LEU 78 -3.483 3.317 8.711 602 HA LEU 78 HA LEU 78 -0.988 3.084 9.922 603 HB2 LEU 78 2HB LEU 78 -2.260 4.941 8.016 604 HB3 LEU 78 1HB LEU 78 -0.886 5.607 8.900 605 HG LEU 78 HG LEU 78 0.493 3.682 8.227 606 HD11 LEU 78 1HD1 LEU 78 -2.144 2.697 7.346 607 HD12 LEU 78 2HD1 LEU 78 -0.703 1.793 7.813 608 HD13 LEU 78 3HD1 LEU 78 -0.847 2.439 6.178 609 HD21 LEU 78 3HD2 LEU 78 0.121 4.122 5.601 610 HD22 LEU 78 1HD2 LEU 78 0.842 5.331 6.664 611 HD23 LEU 78 2HD2 LEU 78 -0.870 5.441 6.238 612 H THR 79 H THR 79 -3.775 4.790 10.969 613 HA THR 79 HA THR 79 -2.656 6.883 12.459 614 HB THR 79 HB THR 79 -5.030 5.370 13.487 615 HG1 THR 79 1HG THR 79 -5.173 7.154 11.309 616 HG21 THR 79 3HG2 THR 79 -5.837 7.758 13.724 617 HG22 THR 79 1HG2 THR 79 -4.237 8.275 13.194 618 HG23 THR 79 2HG2 THR 79 -4.416 7.358 14.690 619 H LYS 80 H LYS 80 -2.630 3.476 12.984 620 HA LYS 80 HA LYS 80 -1.892 3.771 15.808 621 HB2 LYS 80 2HB LYS 80 -3.458 1.988 15.310 622 HB3 LYS 80 1HB LYS 80 -2.368 1.323 14.093 623 HG2 LYS 80 2HG LYS 80 -0.723 0.763 15.764 624 HG3 LYS 80 1HG LYS 80 -1.622 1.626 17.012 625 HD2 LYS 80 2HD LYS 80 -3.219 -0.032 17.206 626 HD3 LYS 80 1HD LYS 80 -3.042 -0.542 15.526 627 HE2 LYS 80 2HE LYS 80 -1.345 -1.986 16.007 628 HE3 LYS 80 1HE LYS 80 -0.639 -0.908 17.212 629 HZ1 LYS 80 3HZ LYS 80 -1.535 -2.217 18.740 630 HZ2 LYS 80 1HZ LYS 80 -2.406 -3.099 17.583 631 HZ3 LYS 80 2HZ LYS 80 -3.068 -1.681 18.243 632 H GLU 81 H GLU 81 -0.450 3.593 12.754 633 HA GLU 81 HA GLU 81 1.667 2.743 12.081 634 HB2 GLU 81 2HB GLU 81 1.536 5.299 12.925 635 HB3 GLU 81 1HB GLU 81 2.765 4.686 14.031 636 HG2 GLU 81 2HG GLU 81 2.818 4.610 11.006 637 HG3 GLU 81 1HG GLU 81 3.918 5.480 12.074 638 H GLN 82 H GLN 82 2.004 0.666 12.838 639 HA GLN 82 HA GLN 82 3.707 0.490 15.229 640 HB2 GLN 82 2HB GLN 82 1.059 -0.417 15.156 641 HB3 GLN 82 1HB GLN 82 2.051 -1.856 14.966 642 HG2 GLN 82 2HG GLN 82 2.169 0.165 17.201 643 HG3 GLN 82 1HG GLN 82 1.764 -1.546 17.304 644 HE21 GLN 82 1HE2 GLN 82 4.394 0.729 17.311 645 HE22 GLN 82 2HE2 GLN 82 5.646 -0.413 17.402 646 H VAL 83 H VAL 83 4.774 -1.730 15.330 647 HA VAL 83 HA VAL 83 6.093 -2.194 12.824 648 HB VAL 83 HB VAL 83 7.536 -3.607 14.021 649 HG11 VAL 83 1HG1 VAL 83 6.368 -1.547 15.911 650 HG12 VAL 83 2HG1 VAL 83 7.780 -1.369 14.870 651 HG13 VAL 83 3HG1 VAL 83 7.841 -2.451 16.260 652 HG21 VAL 83 3HG2 VAL 83 6.781 -4.453 16.349 653 HG22 VAL 83 1HG2 VAL 83 6.080 -5.236 14.933 654 HG23 VAL 83 2HG2 VAL 83 5.152 -4.030 15.824 655 H ILE 84 H ILE 84 5.301 -3.407 11.229 656 HA ILE 84 HA ILE 84 3.506 -5.654 11.925 657 HB ILE 84 HB ILE 84 3.670 -4.285 9.242 658 HG12 ILE 84 2HG1 ILE 84 3.060 -2.589 10.893 659 HG13 ILE 84 1HG1 ILE 84 1.627 -3.044 9.971 660 HG21 ILE 84 1HG2 ILE 84 2.546 -6.649 9.902 661 HG22 ILE 84 2HG2 ILE 84 1.859 -5.578 8.680 662 HG23 ILE 84 3HG2 ILE 84 1.215 -5.570 10.321 663 HD11 ILE 84 3HD1 ILE 84 2.380 -3.884 12.773 664 HD12 ILE 84 1HD1 ILE 84 1.157 -4.741 11.835 665 HD13 ILE 84 2HD1 ILE 84 0.923 -3.042 12.244 666 H LYS 85 H LYS 85 4.038 -7.659 11.325 667 HA LYS 85 HA LYS 85 6.486 -7.970 9.700 668 HB2 LYS 85 2HB LYS 85 6.292 -10.351 10.927 669 HB3 LYS 85 1HB LYS 85 7.149 -8.983 11.629 670 HG2 LYS 85 2HG LYS 85 5.471 -8.507 13.133 671 HG3 LYS 85 1HG LYS 85 4.218 -9.207 12.115 672 HD2 LYS 85 2HD LYS 85 6.348 -10.803 13.564 673 HD3 LYS 85 1HD LYS 85 4.685 -10.613 14.117 674 HE2 LYS 85 2HE LYS 85 5.759 -12.276 11.920 675 HE3 LYS 85 1HE LYS 85 4.343 -12.523 12.943 676 HZ1 LYS 85 3HZ LYS 85 3.184 -10.812 11.679 677 HZ2 LYS 85 1HZ LYS 85 3.692 -12.077 10.669 678 HZ3 LYS 85 2HZ LYS 85 4.545 -10.607 10.682 679 H THR 86 H THR 86 6.421 -9.239 7.934 680 HA THR 86 HA THR 86 3.858 -9.956 6.860 681 HB THR 86 HB THR 86 5.403 -11.011 5.050 682 HG1 THR 86 1HG THR 86 7.205 -9.507 6.636 683 HG21 THR 86 3HG2 THR 86 4.595 -8.313 5.649 684 HG22 THR 86 1HG2 THR 86 4.796 -9.082 4.076 685 HG23 THR 86 2HG2 THR 86 6.167 -8.292 4.853 686 H ASN 87 H ASN 87 2.775 -11.746 7.250 687 HA ASN 87 HA ASN 87 4.115 -14.047 8.453 688 HB2 ASN 87 2HB ASN 87 1.836 -13.005 9.179 689 HB3 ASN 87 1HB ASN 87 1.184 -13.920 7.820 690 HD21 ASN 87 1HD2 ASN 87 0.019 -15.291 9.437 691 HD22 ASN 87 2HD2 ASN 87 0.867 -16.504 10.270 692 H ALA 88 H ALA 88 2.680 -13.048 5.439 693 HA ALA 88 HA ALA 88 2.909 -15.779 4.354 694 HB1 ALA 88 1HB ALA 88 1.228 -13.427 3.711 695 HB2 ALA 88 2HB ALA 88 0.854 -15.148 3.572 696 HB3 ALA 88 3HB ALA 88 1.817 -14.345 2.323 697 H ASN 89 H ASN 89 3.331 -15.326 1.744 698 HA ASN 89 HA ASN 89 5.958 -13.949 1.689 699 HB2 ASN 89 2HB ASN 89 6.356 -16.293 1.371 700 HB3 ASN 89 1HB ASN 89 4.988 -16.453 0.275 701 HD21 ASN 89 1HD2 ASN 89 5.206 -15.422 -1.895 702 HD22 ASN 89 2HD2 ASN 89 6.751 -15.144 -2.539 703 H VAL 90 H VAL 90 6.517 -13.162 -0.582 704 HA VAL 90 HA VAL 90 4.156 -12.383 -2.116 705 HB VAL 90 HB VAL 90 6.130 -10.674 -0.739 706 HG11 VAL 90 1HG1 VAL 90 6.626 -10.280 -3.050 707 HG12 VAL 90 2HG1 VAL 90 5.753 -8.887 -2.413 708 HG13 VAL 90 3HG1 VAL 90 4.926 -10.063 -3.438 709 HG21 VAL 90 3HG2 VAL 90 3.756 -10.850 -0.006 710 HG22 VAL 90 1HG2 VAL 90 3.245 -10.272 -1.592 711 HG23 VAL 90 2HG2 VAL 90 4.164 -9.213 -0.522 712 H LYS 91 H LYS 91 4.394 -12.668 -4.210 713 HA LYS 91 HA LYS 91 7.087 -12.698 -5.349 714 HB2 LYS 91 2HB LYS 91 6.330 -15.058 -4.757 715 HB3 LYS 91 1HB LYS 91 5.098 -14.865 -6.004 716 HG2 LYS 91 2HG LYS 91 6.789 -14.484 -7.701 717 HG3 LYS 91 1HG LYS 91 8.065 -14.468 -6.482 718 HD2 LYS 91 2HD LYS 91 8.091 -16.653 -7.490 719 HD3 LYS 91 1HD LYS 91 7.383 -16.836 -5.884 720 HE2 LYS 91 2HE LYS 91 5.418 -17.537 -6.740 721 HE3 LYS 91 1HE LYS 91 5.358 -16.186 -7.870 722 HZ1 LYS 91 3HZ LYS 91 7.266 -17.640 -8.983 723 HZ2 LYS 91 1HZ LYS 91 5.624 -17.834 -9.360 724 HZ3 LYS 91 2HZ LYS 91 6.369 -18.885 -8.254 725 H ALA 92 H ALA 92 7.113 -11.353 -7.005 726 HA ALA 92 HA ALA 92 4.742 -10.300 -8.174 727 HB1 ALA 92 1HB ALA 92 6.447 -8.775 -8.374 728 HB2 ALA 92 2HB ALA 92 6.596 -9.557 -9.947 729 HB3 ALA 92 3HB ALA 92 7.673 -10.017 -8.628 730 H LEU 93 H LEU 93 3.479 -11.303 -9.562 731 HA LEU 93 HA LEU 93 4.214 -13.736 -10.862 732 HB2 LEU 93 2HB LEU 93 1.832 -12.178 -10.418 733 HB3 LEU 93 1HB LEU 93 1.924 -12.658 -12.111 734 HG LEU 93 HG LEU 93 2.092 -14.980 -11.533 735 HD11 LEU 93 1HD1 LEU 93 1.828 -15.284 -8.829 736 HD12 LEU 93 2HD1 LEU 93 2.868 -13.862 -8.906 737 HD13 LEU 93 3HD1 LEU 93 3.369 -15.366 -9.680 738 HD21 LEU 93 3HD2 LEU 93 0.066 -13.640 -9.716 739 HD22 LEU 93 1HD2 LEU 93 -0.007 -15.310 -10.287 740 HD23 LEU 93 2HD2 LEU 93 -0.170 -13.975 -11.432 741 H THR 94 H THR 94 3.572 -10.441 -11.979 742 HA THR 94 HA THR 94 5.100 -11.034 -14.440 743 HB THR 94 HB THR 94 3.640 -9.324 -15.557 744 HG1 THR 94 1HG THR 94 2.424 -9.480 -13.026 745 HG21 THR 94 3HG2 THR 94 2.416 -11.828 -14.390 746 HG22 THR 94 1HG2 THR 94 3.111 -11.606 -15.996 747 HG23 THR 94 2HG2 THR 94 1.580 -10.835 -15.584 748 H TYR 95 H TYR 95 6.512 -9.392 -15.130 749 HA TYR 95 HA TYR 95 7.854 -7.928 -13.234 750 HB2 TYR 95 2HB TYR 95 7.843 -6.381 -15.635 751 HB3 TYR 95 1HB TYR 95 9.114 -7.440 -15.019 752 HD1 TYR 95 2HD TYR 95 5.744 -7.706 -16.664 753 HD2 TYR 95 1HD TYR 95 9.743 -9.241 -16.351 754 HE1 TYR 95 2HE TYR 95 5.261 -9.331 -18.474 755 HE2 TYR 95 1HE TYR 95 9.261 -10.866 -18.161 756 HH TYR 95 HH TYR 95 6.525 -10.638 -20.154 757 H CYS 96 H CYS 96 7.180 -6.393 -11.897 758 HA CYS 96 HA CYS 96 5.322 -4.356 -12.928 759 HB2 CYS 96 2HB CYS 96 3.804 -4.599 -11.206 760 HB3 CYS 96 1HB CYS 96 4.299 -6.274 -11.438 761 HG CYS 96 HG CYS 96 6.116 -5.732 -9.448 762 H ASP 97 H ASP 97 5.548 -2.342 -12.104 763 HA ASP 97 HA ASP 97 8.020 -1.839 -10.596 764 HB2 ASP 97 2HB ASP 97 7.678 -0.553 -12.671 765 HB3 ASP 97 1HB ASP 97 6.154 0.068 -12.037 766 H LEU 98 H LEU 98 7.946 -1.315 -8.486 767 HA LEU 98 HA LEU 98 5.323 -0.508 -7.389 768 HB2 LEU 98 2HB LEU 98 7.349 -2.032 -5.784 769 HB3 LEU 98 1HB LEU 98 5.610 -1.888 -5.530 770 HG LEU 98 HG LEU 98 5.508 -3.040 -7.924 771 HD11 LEU 98 1HD1 LEU 98 7.812 -3.192 -8.459 772 HD12 LEU 98 2HD1 LEU 98 7.387 -4.815 -7.918 773 HD13 LEU 98 3HD1 LEU 98 8.243 -3.721 -6.833 774 HD21 LEU 98 3HD2 LEU 98 6.248 -4.725 -5.521 775 HD22 LEU 98 1HD2 LEU 98 5.121 -5.119 -6.819 776 HD23 LEU 98 2HD2 LEU 98 4.704 -3.880 -5.635 777 H GLN 99 H GLN 99 5.268 1.264 -6.177 778 HA GLN 99 HA GLN 99 7.846 2.516 -5.459 779 HB2 GLN 99 2HB GLN 99 5.104 3.754 -5.852 780 HB3 GLN 99 1HB GLN 99 6.547 4.634 -5.345 781 HG2 GLN 99 2HG GLN 99 6.905 2.985 -7.766 782 HG3 GLN 99 1HG GLN 99 5.773 4.323 -7.952 783 HE21 GLN 99 1HE2 GLN 99 8.784 3.803 -8.774 784 HE22 GLN 99 2HE2 GLN 99 9.534 5.260 -8.334 785 H TYR 100 H TYR 100 8.289 2.793 -3.332 786 HA TYR 100 HA TYR 100 6.107 2.646 -1.406 787 HB2 TYR 100 2HB TYR 100 7.011 0.869 -0.116 788 HB3 TYR 100 1HB TYR 100 6.953 0.294 -1.774 789 HD1 TYR 100 2HD TYR 100 9.494 2.148 -2.525 790 HD2 TYR 100 1HD TYR 100 8.677 -0.816 0.465 791 HE1 TYR 100 2HE TYR 100 11.900 1.599 -2.407 792 HE2 TYR 100 1HE TYR 100 11.088 -1.373 0.559 793 HH TYR 100 HH TYR 100 13.486 0.575 -1.055 794 H ILE 101 H ILE 101 6.825 3.035 0.808 795 HA ILE 101 HA ILE 101 9.315 4.471 1.145 796 HB ILE 101 HB ILE 101 8.468 6.516 0.755 797 HG12 ILE 101 2HG1 ILE 101 7.982 6.351 3.272 798 HG13 ILE 101 1HG1 ILE 101 7.025 7.526 2.377 799 HG21 ILE 101 1HG2 ILE 101 5.879 4.996 0.591 800 HG22 ILE 101 2HG2 ILE 101 6.862 5.588 -0.754 801 HG23 ILE 101 3HG2 ILE 101 5.974 6.727 0.264 802 HD11 ILE 101 3HD1 ILE 101 5.962 5.562 3.994 803 HD12 ILE 101 1HD1 ILE 101 5.843 4.834 2.393 804 HD13 ILE 101 2HD1 ILE 101 5.085 6.389 2.705 805 H SER 102 H SER 102 9.720 4.980 3.408 806 HA SER 102 HA SER 102 8.578 2.978 5.147 807 HB2 SER 102 2HB SER 102 10.668 5.105 5.496 808 HB3 SER 102 1HB SER 102 10.085 4.151 6.853 809 HG SER 102 HG SER 102 11.859 3.127 5.956 810 H LEU 103 H LEU 103 6.893 3.215 6.404 811 HA LEU 103 HA LEU 103 5.085 5.257 6.330 812 HB2 LEU 103 2HB LEU 103 5.308 2.869 7.694 813 HB3 LEU 103 1HB LEU 103 5.248 4.059 8.994 814 HG LEU 103 HG LEU 103 2.978 3.340 8.387 815 HD11 LEU 103 1HD1 LEU 103 3.764 5.852 8.849 816 HD12 LEU 103 2HD1 LEU 103 2.085 5.462 8.475 817 HD13 LEU 103 3HD1 LEU 103 3.153 6.075 7.210 818 HD21 LEU 103 3HD2 LEU 103 3.040 4.677 5.752 819 HD22 LEU 103 1HD2 LEU 103 2.243 3.178 6.234 820 HD23 LEU 103 2HD2 LEU 103 3.960 3.174 5.830 821 H LYS 104 H LYS 104 7.839 4.967 8.566 822 HA LYS 104 HA LYS 104 7.162 7.263 10.112 823 HB2 LYS 104 2HB LYS 104 9.698 7.166 10.650 824 HB3 LYS 104 1HB LYS 104 8.685 5.813 11.157 825 HG2 LYS 104 2HG LYS 104 9.667 4.374 9.702 826 HG3 LYS 104 1HG LYS 104 9.707 5.580 8.417 827 HD2 LYS 104 2HD LYS 104 11.541 5.972 10.742 828 HD3 LYS 104 1HD LYS 104 11.953 4.718 9.571 829 HE2 LYS 104 2HE LYS 104 11.592 6.489 7.760 830 HE3 LYS 104 1HE LYS 104 11.569 7.673 9.064 831 HZ1 LYS 104 3HZ LYS 104 13.780 5.858 8.299 832 HZ2 LYS 104 1HZ LYS 104 13.756 6.699 9.771 833 HZ3 LYS 104 2HZ LYS 104 13.779 7.558 8.305 834 H GLY 105 H GLY 105 8.958 6.724 7.159 835 HA2 GLY 105 2HA GLY 105 10.225 9.246 6.926 836 HA3 GLY 105 1HA GLY 105 9.859 8.143 5.605 837 H LEU 106 H LEU 106 7.142 7.997 5.667 838 HA LEU 106 HA LEU 106 6.414 10.360 4.284 839 HB2 LEU 106 2HB LEU 106 5.447 8.262 3.661 840 HB3 LEU 106 1HB LEU 106 4.749 8.048 5.264 841 HG LEU 106 HG LEU 106 4.072 10.597 3.923 842 HD11 LEU 106 1HD1 LEU 106 3.668 9.516 1.938 843 HD12 LEU 106 2HD1 LEU 106 2.171 9.086 2.765 844 HD13 LEU 106 3HD1 LEU 106 3.506 7.937 2.706 845 HD21 LEU 106 3HD2 LEU 106 1.788 9.855 4.781 846 HD22 LEU 106 1HD2 LEU 106 3.024 10.062 6.021 847 HD23 LEU 106 2HD2 LEU 106 2.596 8.445 5.464 848 H ARG 107 H ARG 107 5.522 9.134 7.502 849 HA ARG 107 HA ARG 107 3.645 11.184 7.971 850 HB2 ARG 107 2HB ARG 107 3.437 9.208 9.278 851 HB3 ARG 107 1HB ARG 107 5.085 9.351 9.863 852 HG2 ARG 107 2HG ARG 107 3.438 10.101 11.561 853 HG3 ARG 107 1HG ARG 107 4.524 11.402 11.071 854 HD2 ARG 107 2HD ARG 107 2.839 12.611 10.177 855 HD3 ARG 107 1HD ARG 107 2.172 11.202 9.360 856 HE ARG 107 HE ARG 107 0.570 11.239 11.023 857 HH11 ARG 107 1HH2 ARG 107 3.634 12.245 12.274 858 HH12 ARG 107 2HH2 ARG 107 3.064 12.435 13.898 859 HH21 ARG 107 1HH1 ARG 107 -0.186 11.488 13.151 860 HH22 ARG 107 2HH1 ARG 107 0.902 12.007 14.395 861 H GLU 108 H GLU 108 7.092 11.077 8.418 862 HA GLU 108 HA GLU 108 7.281 13.296 10.210 863 HB2 GLU 108 2HB GLU 108 9.074 11.492 9.601 864 HB3 GLU 108 1HB GLU 108 9.451 12.574 8.261 865 HG2 GLU 108 2HG GLU 108 10.884 13.343 9.951 866 HG3 GLU 108 1HG GLU 108 9.506 14.433 10.088 867 H VAL 109 H VAL 109 7.801 12.906 6.746 868 HA VAL 109 HA VAL 109 8.200 15.596 6.067 869 HB VAL 109 HB VAL 109 7.263 14.747 3.790 870 HG11 VAL 109 1HG1 VAL 109 9.616 14.817 3.968 871 HG12 VAL 109 2HG1 VAL 109 9.308 13.095 3.692 872 HG13 VAL 109 3HG1 VAL 109 9.622 13.682 5.319 873 HG21 VAL 109 3HG2 VAL 109 5.914 12.948 4.328 874 HG22 VAL 109 1HG2 VAL 109 7.052 12.306 5.502 875 HG23 VAL 109 2HG2 VAL 109 7.407 12.178 3.789 876 H LEU 110 H LEU 110 5.256 13.621 6.018 877 HA LEU 110 HA LEU 110 3.479 15.707 5.363 878 HB2 LEU 110 2HB LEU 110 3.342 12.950 5.953 879 HB3 LEU 110 1HB LEU 110 2.247 13.718 7.062 880 HG LEU 110 HG LEU 110 1.080 14.805 5.207 881 HD11 LEU 110 1HD1 LEU 110 3.559 14.219 3.859 882 HD12 LEU 110 2HD1 LEU 110 2.259 15.295 3.358 883 HD13 LEU 110 3HD1 LEU 110 2.206 13.587 2.924 884 HD21 LEU 110 3HD2 LEU 110 0.028 12.910 4.351 885 HD22 LEU 110 1HD2 LEU 110 0.819 12.242 5.782 886 HD23 LEU 110 2HD2 LEU 110 1.540 12.018 4.188 887 H ARG 111 H ARG 111 5.006 14.722 8.355 888 HA ARG 111 HA ARG 111 3.381 16.051 10.208 889 HB2 ARG 111 2HB ARG 111 5.592 14.640 10.548 890 HB3 ARG 111 1HB ARG 111 6.364 16.224 10.469 891 HG2 ARG 111 2HG ARG 111 4.934 17.047 12.275 892 HG3 ARG 111 1HG ARG 111 4.084 15.501 12.331 893 HD2 ARG 111 2HD ARG 111 6.070 14.350 13.057 894 HD3 ARG 111 1HD ARG 111 7.067 15.774 12.772 895 HE ARG 111 HE ARG 111 4.907 16.088 14.713 896 HH11 ARG 111 1HH2 ARG 111 8.242 15.435 14.057 897 HH12 ARG 111 2HH2 ARG 111 8.779 15.848 15.652 898 HH21 ARG 111 1HH1 ARG 111 5.602 16.626 16.805 899 HH22 ARG 111 2HH1 ARG 111 7.284 16.522 17.208 900 H LEU 112 H LEU 112 5.805 17.175 7.937 901 HA LEU 112 HA LEU 112 5.969 19.873 8.807 902 HB2 LEU 112 2HB LEU 112 7.163 18.371 6.809 903 HB3 LEU 112 1HB LEU 112 6.127 19.472 5.901 904 HG LEU 112 HG LEU 112 8.071 20.343 8.059 905 HD11 LEU 112 1HD1 LEU 112 9.304 19.492 6.137 906 HD12 LEU 112 2HD1 LEU 112 9.378 21.254 6.128 907 HD13 LEU 112 3HD1 LEU 112 8.281 20.413 5.034 908 HD21 LEU 112 3HD2 LEU 112 6.176 21.863 7.787 909 HD22 LEU 112 1HD2 LEU 112 6.394 21.865 6.037 910 HD23 LEU 112 2HD2 LEU 112 7.614 22.597 7.079 911 H TYR 113 H TYR 113 3.724 17.978 7.011 912 HA TYR 113 HA TYR 113 1.956 20.338 6.638 913 HB2 TYR 113 2HB TYR 113 2.898 18.688 4.655 914 HB3 TYR 113 1HB TYR 113 1.353 17.934 5.049 915 HD1 TYR 113 1HD TYR 113 -0.282 20.242 5.864 916 HD2 TYR 113 2HD TYR 113 2.535 19.854 2.644 917 HE1 TYR 113 1HE TYR 113 -1.470 22.024 4.610 918 HE2 TYR 113 2HE TYR 113 1.348 21.635 1.390 919 HH TYR 113 HH TYR 113 -0.497 22.907 1.310 920 HA PRO 114 HA PRO 114 0.209 17.609 9.940 921 HB2 PRO 114 2HB PRO 114 -1.121 20.142 10.677 922 HB3 PRO 114 1HB PRO 114 -0.139 19.048 11.666 923 HG2 PRO 114 2HG PRO 114 0.753 21.438 10.842 924 HG3 PRO 114 1HG PRO 114 1.822 20.042 11.062 925 HD2 PRO 114 2HD PRO 114 0.779 21.236 8.524 926 HD3 PRO 114 1HD PRO 114 2.345 20.466 8.854 927 H GLU 115 H GLU 115 -1.658 20.050 8.072 928 HA GLU 115 HA GLU 115 -4.192 18.942 8.653 929 HB2 GLU 115 2HB GLU 115 -3.196 20.649 6.374 930 HB3 GLU 115 1HB GLU 115 -4.884 20.156 6.522 931 HG2 GLU 115 2HG GLU 115 -5.246 21.800 8.008 932 HG3 GLU 115 1HG GLU 115 -4.015 21.121 9.071 933 H TYR 116 H TYR 116 -2.152 18.556 5.762 934 HA TYR 116 HA TYR 116 -3.845 16.576 4.583 935 HB2 TYR 116 2HB TYR 116 -1.281 17.876 3.972 936 HB3 TYR 116 1HB TYR 116 -1.390 16.208 3.421 937 HD1 TYR 116 1HD TYR 116 -3.661 15.554 2.234 938 HD2 TYR 116 2HD TYR 116 -2.187 19.569 2.637 939 HE1 TYR 116 1HE TYR 116 -5.093 16.270 0.341 940 HE2 TYR 116 2HE TYR 116 -3.620 20.285 0.745 941 HH TYR 116 HH TYR 116 -4.781 19.414 -1.111 942 H ALA 117 H ALA 117 -1.058 16.564 6.679 943 HA ALA 117 HA ALA 117 -0.390 13.845 6.449 944 HB1 ALA 117 1HB ALA 117 1.188 15.369 7.309 945 HB2 ALA 117 2HB ALA 117 0.804 14.243 8.611 946 HB3 ALA 117 3HB ALA 117 0.109 15.866 8.608 947 H GLN 118 H GLN 118 -2.087 15.470 9.132 948 HA GLN 118 HA GLN 118 -2.747 13.168 10.538 949 HB2 GLN 118 2HB GLN 118 -4.283 15.759 10.208 950 HB3 GLN 118 1HB GLN 118 -4.695 14.519 11.379 951 HG2 GLN 118 2HG GLN 118 -2.140 16.120 11.252 952 HG3 GLN 118 1HG GLN 118 -3.361 16.146 12.520 953 HE21 GLN 118 1HE2 GLN 118 -0.815 14.109 11.063 954 HE22 GLN 118 2HE2 GLN 118 -0.641 13.090 12.409 955 H LYS 119 H LYS 119 -4.179 14.641 7.718 956 HA LYS 119 HA LYS 119 -6.483 12.937 7.606 957 HB2 LYS 119 2HB LYS 119 -5.816 15.298 6.439 958 HB3 LYS 119 1HB LYS 119 -5.525 14.178 5.107 959 HG2 LYS 119 2HG LYS 119 -7.792 13.230 5.423 960 HG3 LYS 119 1HG LYS 119 -8.084 14.389 6.722 961 HD2 LYS 119 2HD LYS 119 -7.353 15.188 3.892 962 HD3 LYS 119 1HD LYS 119 -9.011 15.103 4.489 963 HE2 LYS 119 2HE LYS 119 -7.818 16.590 6.451 964 HE3 LYS 119 1HE LYS 119 -6.917 17.114 5.028 965 HZ1 LYS 119 3HZ LYS 119 -8.733 18.515 5.038 966 HZ2 LYS 119 1HZ LYS 119 -9.806 17.313 5.569 967 HZ3 LYS 119 2HZ LYS 119 -9.237 17.294 3.968 968 H PHE 120 H PHE 120 -3.165 12.701 6.468 969 HA PHE 120 HA PHE 120 -3.520 10.911 4.349 970 HB2 PHE 120 2HB PHE 120 -1.334 11.222 4.215 971 HB3 PHE 120 1HB PHE 120 -1.390 12.082 5.743 972 HD1 PHE 120 1HD PHE 120 -1.087 8.642 4.296 973 HD2 PHE 120 2HD PHE 120 -0.326 11.215 7.648 974 HE1 PHE 120 1HE PHE 120 0.324 6.905 5.305 975 HE2 PHE 120 2HE PHE 120 1.059 9.442 8.684 976 HZ PHE 120 HZ PHE 120 1.383 7.288 7.514 977 H VAL 121 H VAL 121 -3.139 10.206 7.813 978 HA VAL 121 HA VAL 121 -2.912 7.417 7.529 979 HB VAL 121 HB VAL 121 -3.473 7.278 9.865 980 HG11 VAL 121 1HG1 VAL 121 -1.391 8.657 8.989 981 HG12 VAL 121 2HG1 VAL 121 -1.769 8.607 10.710 982 HG13 VAL 121 3HG1 VAL 121 -2.240 10.005 9.742 983 HG21 VAL 121 3HG2 VAL 121 -4.793 9.935 9.331 984 HG22 VAL 121 1HG2 VAL 121 -4.306 9.486 10.966 985 HG23 VAL 121 2HG2 VAL 121 -5.477 8.498 10.091 986 H SER 122 H SER 122 -5.716 9.546 7.777 987 HA SER 122 HA SER 122 -7.591 7.326 7.678 988 HB2 SER 122 2HB SER 122 -8.353 9.078 9.042 989 HB3 SER 122 1HB SER 122 -7.860 10.315 7.888 990 HG SER 122 HG SER 122 -10.119 9.935 7.842 991 H GLU 123 H GLU 123 -6.172 9.639 5.475 992 HA GLU 123 HA GLU 123 -8.144 9.225 3.402 993 HB2 GLU 123 2HB GLU 123 -6.751 11.334 3.754 994 HB3 GLU 123 1HB GLU 123 -5.406 10.438 3.045 995 HG2 GLU 123 2HG GLU 123 -6.556 10.155 0.975 996 HG3 GLU 123 1HG GLU 123 -8.090 10.670 1.674 997 H ILE 124 H ILE 124 -5.301 7.585 4.431 998 HA ILE 124 HA ILE 124 -4.382 6.549 1.984 999 HB ILE 124 HB ILE 124 -3.532 6.412 4.552 1000 HG12 ILE 124 2HG1 ILE 124 -2.856 4.981 2.020 1001 HG13 ILE 124 1HG1 ILE 124 -1.906 6.141 2.947 1002 HG21 ILE 124 1HG2 ILE 124 -3.615 4.120 5.326 1003 HG22 ILE 124 2HG2 ILE 124 -4.458 3.607 3.868 1004 HG23 ILE 124 3HG2 ILE 124 -5.268 4.652 5.035 1005 HD11 ILE 124 3HD1 ILE 124 -0.762 4.168 3.413 1006 HD12 ILE 124 1HD1 ILE 124 -2.229 3.191 3.365 1007 HD13 ILE 124 2HD1 ILE 124 -1.901 4.215 4.758 1008 H GLN 125 H GLN 125 -6.844 5.339 4.239 1009 HA GLN 125 HA GLN 125 -7.273 2.820 3.263 1010 HB2 GLN 125 2HB GLN 125 -9.829 3.473 3.759 1011 HB3 GLN 125 1HB GLN 125 -8.653 3.152 5.031 1012 HG2 GLN 125 2HG GLN 125 -9.846 5.232 5.485 1013 HG3 GLN 125 1HG GLN 125 -8.140 5.520 5.173 1014 HE21 GLN 125 1HE2 GLN 125 -11.257 5.397 3.364 1015 HE22 GLN 125 2HE2 GLN 125 -10.863 6.668 2.310 1016 H HIS 126 H HIS 126 -8.155 5.851 1.770 1017 HA HIS 126 HA HIS 126 -10.045 4.949 -0.080 1018 HB2 HIS 126 2HB HIS 126 -9.865 7.251 -0.021 1019 HB3 HIS 126 1HB HIS 126 -8.107 7.205 -0.039 1020 HD1 HIS 126 1HD HIS 126 -7.240 8.050 -2.216 1021 HD2 HIS 126 2HD HIS 126 -10.775 5.896 -2.708 1022 HE1 HIS 126 1HE HIS 126 -7.716 8.013 -4.703 1023 HE2 HIS 126 2HE HIS 126 -9.867 6.702 -5.020 1024 H ASP 127 H ASP 127 -6.715 4.236 0.153 1025 HA ASP 127 HA ASP 127 -6.747 3.138 -2.597 1026 HB2 ASP 127 2HB ASP 127 -4.417 4.229 -1.005 1027 HB3 ASP 127 1HB ASP 127 -4.263 3.384 -2.544 1028 H LEU 128 H LEU 128 -7.457 2.035 0.178 1029 HA LEU 128 HA LEU 128 -5.457 0.031 0.708 1030 HB2 LEU 128 2HB LEU 128 -6.781 0.814 2.553 1031 HB3 LEU 128 1HB LEU 128 -8.281 0.412 1.718 1032 HG LEU 128 HG LEU 128 -7.677 -1.975 1.760 1033 HD11 LEU 128 1HD1 LEU 128 -5.120 -0.819 2.728 1034 HD12 LEU 128 2HD1 LEU 128 -5.407 -2.276 1.776 1035 HD13 LEU 128 3HD1 LEU 128 -5.643 -2.304 3.523 1036 HD21 LEU 128 3HD2 LEU 128 -8.926 -1.661 3.654 1037 HD22 LEU 128 1HD2 LEU 128 -7.922 -0.323 4.214 1038 HD23 LEU 128 2HD2 LEU 128 -7.391 -1.985 4.462 1039 H THR 129 H THR 129 -5.126 -1.512 -0.770 1040 HA THR 129 HA THR 129 -7.455 -2.753 -2.087 1041 HB THR 129 HB THR 129 -4.564 -2.466 -2.797 1042 HG1 THR 129 1HG THR 129 -7.042 -2.320 -4.164 1043 HG21 THR 129 3HG2 THR 129 -6.367 -4.770 -3.524 1044 HG22 THR 129 1HG2 THR 129 -4.692 -4.818 -2.976 1045 HG23 THR 129 2HG2 THR 129 -5.073 -4.248 -4.601 1046 H TYR 130 H TYR 130 -4.343 -3.656 -0.580 1047 HA TYR 130 HA TYR 130 -5.687 -6.026 0.547 1048 HB2 TYR 130 2HB TYR 130 -4.140 -6.457 -1.532 1049 HB3 TYR 130 1HB TYR 130 -2.835 -6.245 -0.357 1050 HD1 TYR 130 2HD TYR 130 -5.903 -8.202 -1.132 1051 HD2 TYR 130 1HD TYR 130 -2.384 -7.905 1.313 1052 HE1 TYR 130 2HE TYR 130 -6.311 -10.490 -0.269 1053 HE2 TYR 130 1HE TYR 130 -2.792 -10.193 2.179 1054 HH TYR 130 HH TYR 130 -4.051 -12.015 2.030 1055 H ASN 131 H ASN 131 -5.558 -5.933 2.677 1056 HA ASN 131 HA ASN 131 -3.539 -4.259 3.941 1057 HB2 ASN 131 2HB ASN 131 -4.840 -4.485 5.943 1058 HB3 ASN 131 1HB ASN 131 -5.954 -4.187 4.611 1059 HD21 ASN 131 1HD2 ASN 131 -4.729 -6.713 6.799 1060 HD22 ASN 131 2HD2 ASN 131 -5.995 -7.806 6.509 1061 H LEU 132 H LEU 132 -1.591 -5.185 4.233 1062 HA LEU 132 HA LEU 132 -1.287 -8.020 4.696 1063 HB2 LEU 132 2HB LEU 132 0.379 -5.900 3.868 1064 HB3 LEU 132 1HB LEU 132 1.028 -6.422 5.419 1065 HG LEU 132 HG LEU 132 2.001 -7.631 3.441 1066 HD11 LEU 132 1HD1 LEU 132 1.027 -8.682 5.905 1067 HD12 LEU 132 2HD1 LEU 132 2.414 -9.223 4.957 1068 HD13 LEU 132 3HD1 LEU 132 0.819 -9.922 4.667 1069 HD21 LEU 132 3HD2 LEU 132 -0.393 -9.348 3.196 1070 HD22 LEU 132 1HD2 LEU 132 0.715 -8.777 1.948 1071 HD23 LEU 132 2HD2 LEU 132 -0.576 -7.725 2.528 1072 H ARG 133 H ARG 133 -1.773 -8.901 6.613 1073 HA ARG 133 HA ARG 133 -1.519 -7.246 9.035 1074 HB2 ARG 133 2HB ARG 133 -3.562 -8.922 8.144 1075 HB3 ARG 133 1HB ARG 133 -2.767 -9.843 9.420 1076 HG2 ARG 133 2HG ARG 133 -2.880 -7.725 10.840 1077 HG3 ARG 133 1HG ARG 133 -3.963 -7.073 9.610 1078 HD2 ARG 133 2HD ARG 133 -5.131 -8.179 11.553 1079 HD3 ARG 133 1HD ARG 133 -5.564 -8.816 9.973 1080 HE ARG 133 HE ARG 133 -3.798 -10.604 10.525 1081 HH11 ARG 133 1HH2 ARG 133 -5.748 -8.943 12.869 1082 HH12 ARG 133 2HH2 ARG 133 -5.712 -10.241 14.011 1083 HH21 ARG 133 1HH1 ARG 133 -3.755 -12.300 12.029 1084 HH22 ARG 133 2HH1 ARG 133 -4.589 -12.136 13.540 1085 H GLU 134 H GLU 134 -0.566 -8.099 10.930 1086 HA GLU 134 HA GLU 134 1.766 -9.726 10.412 1087 HB2 GLU 134 2HB GLU 134 2.152 -9.351 12.893 1088 HB3 GLU 134 1HB GLU 134 2.072 -7.888 11.909 1089 HG2 GLU 134 2HG GLU 134 -0.127 -7.385 12.629 1090 HG3 GLU 134 1HG GLU 134 -0.381 -9.012 13.260 1091 H GLY 135 H GLY 135 2.132 -11.801 11.050 1092 HA2 GLY 135 2HA GLY 135 1.727 -13.914 11.886 1093 HA3 GLY 135 1HA GLY 135 0.508 -13.202 12.938 Start of MODEL 5 1 H1 MET 1 H MET 1 7.572 4.648 -14.225 2 HA MET 1 HA MET 1 6.742 5.276 -16.638 3 HB2 MET 1 2HB MET 1 5.226 3.773 -14.530 4 HB3 MET 1 1HB MET 1 4.504 4.023 -16.120 5 HG2 MET 1 2HG MET 1 7.301 2.933 -15.798 6 HG3 MET 1 1HG MET 1 5.887 1.879 -15.806 7 HE1 MET 1 3HE MET 1 7.690 1.054 -17.421 8 HE2 MET 1 1HE MET 1 8.543 2.318 -18.318 9 HE3 MET 1 2HE MET 1 7.457 1.215 -19.160 10 H ASN 2 H ASN 2 3.760 5.257 -14.999 11 HA ASN 2 HA ASN 2 2.889 7.667 -16.246 12 HB2 ASN 2 2HB ASN 2 0.787 7.258 -15.184 13 HB3 ASN 2 1HB ASN 2 1.440 5.684 -15.636 14 HD21 ASN 2 1HD2 ASN 2 3.376 6.619 -13.131 15 HD22 ASN 2 2HD2 ASN 2 2.517 5.942 -11.834 16 H LYS 3 H LYS 3 1.330 8.206 -13.597 17 HA LYS 3 HA LYS 3 3.160 10.293 -12.690 18 HB2 LYS 3 2HB LYS 3 0.401 9.813 -11.597 19 HB3 LYS 3 1HB LYS 3 1.292 11.329 -11.726 20 HG2 LYS 3 2HG LYS 3 1.176 11.063 -14.245 21 HG3 LYS 3 1HG LYS 3 0.056 9.728 -13.977 22 HD2 LYS 3 2HD LYS 3 -1.395 11.287 -12.652 23 HD3 LYS 3 1HD LYS 3 -0.318 12.608 -13.111 24 HE2 LYS 3 2HE LYS 3 -1.311 10.903 -15.330 25 HE3 LYS 3 1HE LYS 3 -2.509 11.936 -14.549 26 HZ1 LYS 3 3HZ LYS 3 -1.637 13.319 -16.144 27 HZ2 LYS 3 1HZ LYS 3 -0.067 12.696 -16.003 28 HZ3 LYS 3 2HZ LYS 3 -0.682 13.727 -14.800 29 H GLU 4 H GLU 4 3.146 10.723 -10.259 30 HA GLU 4 HA GLU 4 4.130 8.349 -8.942 31 HB2 GLU 4 2HB GLU 4 3.769 11.170 -7.903 32 HB3 GLU 4 1HB GLU 4 4.661 9.880 -7.094 33 HG2 GLU 4 2HG GLU 4 6.436 10.016 -8.531 34 HG3 GLU 4 1HG GLU 4 5.417 10.421 -9.913 35 H LEU 5 H LEU 5 3.259 7.323 -7.157 36 HA LEU 5 HA LEU 5 0.463 7.143 -7.008 37 HB2 LEU 5 2HB LEU 5 2.061 5.353 -6.331 38 HB3 LEU 5 1HB LEU 5 2.451 6.300 -4.899 39 HG LEU 5 HG LEU 5 0.702 4.467 -4.606 40 HD11 LEU 5 1HD1 LEU 5 0.918 7.021 -3.490 41 HD12 LEU 5 2HD1 LEU 5 0.139 5.613 -2.781 42 HD13 LEU 5 3HD1 LEU 5 -0.805 6.754 -3.737 43 HD21 LEU 5 3HD2 LEU 5 -0.464 5.189 -6.811 44 HD22 LEU 5 1HD2 LEU 5 -1.218 6.438 -5.818 45 HD23 LEU 5 2HD2 LEU 5 -1.475 4.736 -5.440 46 H LEU 6 H LEU 6 2.713 9.195 -5.295 47 HA LEU 6 HA LEU 6 1.213 9.855 -3.054 48 HB2 LEU 6 2HB LEU 6 2.334 12.113 -3.206 49 HB3 LEU 6 1HB LEU 6 3.424 10.723 -3.219 50 HG LEU 6 HG LEU 6 3.188 10.864 -5.811 51 HD11 LEU 6 1HD1 LEU 6 2.128 13.528 -4.876 52 HD12 LEU 6 2HD1 LEU 6 1.478 12.458 -6.119 53 HD13 LEU 6 3HD1 LEU 6 2.951 13.375 -6.429 54 HD21 LEU 6 3HD2 LEU 6 4.782 12.603 -3.964 55 HD22 LEU 6 1HD2 LEU 6 4.906 12.886 -5.700 56 HD23 LEU 6 2HD2 LEU 6 5.329 11.310 -5.032 57 H GLN 7 H GLN 7 -0.166 9.816 -5.900 58 HA GLN 7 HA GLN 7 -1.298 12.374 -6.265 59 HB2 GLN 7 2HB GLN 7 -1.330 10.325 -7.845 60 HB3 GLN 7 1HB GLN 7 -2.726 9.800 -6.906 61 HG2 GLN 7 2HG GLN 7 -3.402 12.389 -7.349 62 HG3 GLN 7 1HG GLN 7 -2.472 12.059 -8.810 63 HE21 GLN 7 1HE2 GLN 7 -3.898 11.469 -10.453 64 HE22 GLN 7 2HE2 GLN 7 -5.234 10.440 -10.255 65 H LEU 8 H LEU 8 -1.603 10.091 -3.826 66 HA LEU 8 HA LEU 8 -4.316 10.351 -3.092 67 HB2 LEU 8 2HB LEU 8 -1.886 9.769 -1.388 68 HB3 LEU 8 1HB LEU 8 -3.558 9.544 -0.873 69 HG LEU 8 HG LEU 8 -2.376 8.227 -3.329 70 HD11 LEU 8 1HD1 LEU 8 -2.785 7.102 -0.542 71 HD12 LEU 8 2HD1 LEU 8 -1.227 7.426 -1.301 72 HD13 LEU 8 3HD1 LEU 8 -2.284 6.174 -1.954 73 HD21 LEU 8 3HD2 LEU 8 -4.724 8.261 -3.552 74 HD22 LEU 8 1HD2 LEU 8 -4.981 8.043 -1.820 75 HD23 LEU 8 2HD2 LEU 8 -4.413 6.696 -2.805 76 HA PRO 9 HA PRO 9 -5.017 14.366 -1.479 77 HB2 PRO 9 2HB PRO 9 -5.684 12.999 1.092 78 HB3 PRO 9 1HB PRO 9 -6.597 14.221 0.190 79 HG2 PRO 9 2HG PRO 9 -7.245 11.626 0.132 80 HG3 PRO 9 1HG PRO 9 -7.474 12.696 -1.261 81 HD2 PRO 9 2HD PRO 9 -5.515 10.514 -0.892 82 HD3 PRO 9 1HD PRO 9 -6.112 11.260 -2.389 83 H LEU 10 H LEU 10 -2.746 12.279 0.157 84 HA LEU 10 HA LEU 10 -1.977 13.826 2.301 85 HB2 LEU 10 2HB LEU 10 0.459 12.964 1.510 86 HB3 LEU 10 1HB LEU 10 -0.673 12.054 2.505 87 HG LEU 10 HG LEU 10 -1.571 11.449 -0.022 88 HD11 LEU 10 1HD1 LEU 10 0.610 12.810 -0.650 89 HD12 LEU 10 2HD1 LEU 10 0.146 11.358 -1.555 90 HD13 LEU 10 3HD1 LEU 10 1.389 11.258 -0.307 91 HD21 LEU 10 3HD2 LEU 10 -0.730 9.289 0.424 92 HD22 LEU 10 1HD2 LEU 10 -0.926 10.003 2.027 93 HD23 LEU 10 2HD2 LEU 10 0.675 9.926 1.283 94 H PHE 11 H PHE 11 -0.688 14.065 -1.006 95 HA PHE 11 HA PHE 11 0.707 16.463 -0.174 96 HB2 PHE 11 2HB PHE 11 2.057 16.322 -2.034 97 HB3 PHE 11 1HB PHE 11 1.735 14.624 -1.664 98 HD1 PHE 11 1HD PHE 11 -0.785 14.051 -2.534 99 HD2 PHE 11 2HD PHE 11 1.973 16.719 -4.390 100 HE1 PHE 11 1HE PHE 11 -1.960 13.734 -4.705 101 HE2 PHE 11 2HE PHE 11 0.835 16.408 -6.571 102 HZ PHE 11 HZ PHE 11 -1.139 14.910 -6.730 103 H GLU 12 H GLU 12 -1.820 15.456 -2.416 104 HA GLU 12 HA GLU 12 -2.201 17.849 -3.798 105 HB2 GLU 12 2HB GLU 12 -3.332 15.783 -4.451 106 HB3 GLU 12 1HB GLU 12 -4.271 15.811 -2.958 107 HG2 GLU 12 2HG GLU 12 -5.452 16.737 -5.011 108 HG3 GLU 12 1HG GLU 12 -5.422 17.777 -3.592 109 H SER 13 H SER 13 -3.473 16.799 -0.668 110 HA SER 13 HA SER 13 -4.993 19.238 -0.302 111 HB2 SER 13 2HB SER 13 -5.399 16.813 0.689 112 HB3 SER 13 1HB SER 13 -4.331 17.399 1.962 113 HG SER 13 HG SER 13 -6.805 18.459 1.080 114 H ALA 14 H ALA 14 -1.799 18.640 -0.325 115 HA ALA 14 HA ALA 14 -1.208 20.521 1.876 116 HB1 ALA 14 1HB ALA 14 -0.187 18.002 1.505 117 HB2 ALA 14 2HB ALA 14 0.627 19.293 2.387 118 HB3 ALA 14 3HB ALA 14 1.020 19.002 0.683 119 H SER 15 H SER 15 0.911 21.699 1.417 120 HA SER 15 HA SER 15 0.643 23.046 -1.140 121 HB2 SER 15 2HB SER 15 1.392 23.965 1.290 122 HB3 SER 15 1HB SER 15 2.976 23.583 0.624 123 HG SER 15 HG SER 15 2.743 25.118 -0.828 124 H ARG 16 H ARG 16 2.378 23.092 -2.706 125 HA ARG 16 HA ARG 16 3.413 20.639 -3.353 126 HB2 ARG 16 2HB ARG 16 4.611 23.374 -3.905 127 HB3 ARG 16 1HB ARG 16 5.180 21.885 -4.660 128 HG2 ARG 16 2HG ARG 16 2.255 22.350 -4.791 129 HG3 ARG 16 1HG ARG 16 3.248 23.456 -5.741 130 HD2 ARG 16 2HD ARG 16 3.807 20.514 -5.869 131 HD3 ARG 16 1HD ARG 16 2.456 21.170 -6.786 132 HE ARG 16 HE ARG 16 4.704 22.770 -7.307 133 HH11 ARG 16 1HH2 ARG 16 3.569 19.533 -7.758 134 HH12 ARG 16 2HH2 ARG 16 4.468 19.273 -9.216 135 HH21 ARG 16 1HH1 ARG 16 5.887 22.436 -9.220 136 HH22 ARG 16 2HH1 ARG 16 5.779 20.915 -10.043 137 H GLY 17 H GLY 17 4.308 22.734 -0.833 138 HA2 GLY 17 2HA GLY 17 6.999 22.081 -0.403 139 HA3 GLY 17 1HA GLY 17 5.860 22.562 0.854 140 H CYS 18 H CYS 18 3.993 20.452 0.686 141 HA CYS 18 HA CYS 18 5.386 18.413 2.153 142 HB2 CYS 18 2HB CYS 18 2.761 19.177 1.982 143 HB3 CYS 18 1HB CYS 18 2.755 17.700 1.004 144 HG CYS 18 HG CYS 18 3.334 17.846 4.044 145 H LEU 19 H LEU 19 4.335 18.856 -1.165 146 HA LEU 19 HA LEU 19 4.711 16.152 -1.959 147 HB2 LEU 19 2HB LEU 19 3.459 17.861 -3.293 148 HB3 LEU 19 1HB LEU 19 4.999 18.629 -3.674 149 HG LEU 19 HG LEU 19 5.790 16.654 -4.815 150 HD11 LEU 19 1HD1 LEU 19 3.407 15.387 -3.498 151 HD12 LEU 19 2HD1 LEU 19 5.051 14.772 -3.679 152 HD13 LEU 19 3HD1 LEU 19 3.949 14.757 -5.054 153 HD21 LEU 19 3HD2 LEU 19 4.654 17.390 -6.612 154 HD22 LEU 19 1HD2 LEU 19 3.397 18.058 -5.570 155 HD23 LEU 19 2HD2 LEU 19 3.283 16.390 -6.132 156 H ARG 20 H ARG 20 6.821 18.958 -1.735 157 HA ARG 20 HA ARG 20 9.112 17.680 -2.907 158 HB2 ARG 20 2HB ARG 20 9.329 19.990 -2.963 159 HB3 ARG 20 1HB ARG 20 8.610 20.208 -1.374 160 HG2 ARG 20 2HG ARG 20 11.272 18.849 -1.737 161 HG3 ARG 20 1HG ARG 20 11.114 20.594 -1.553 162 HD2 ARG 20 2HD ARG 20 9.521 19.492 0.482 163 HD3 ARG 20 1HD ARG 20 11.005 18.542 0.481 164 HE ARG 20 HE ARG 20 12.125 20.407 1.280 165 HH11 ARG 20 1HH2 ARG 20 9.080 21.296 -0.104 166 HH12 ARG 20 2HH2 ARG 20 9.188 22.956 0.379 167 HH21 ARG 20 1HH1 ARG 20 12.274 22.582 1.917 168 HH22 ARG 20 2HH1 ARG 20 10.997 23.684 1.523 169 H SER 21 H SER 21 7.663 17.989 0.227 170 HA SER 21 HA SER 21 9.746 16.995 1.889 171 HB2 SER 21 2HB SER 21 6.790 16.680 2.321 172 HB3 SER 21 1HB SER 21 8.058 16.893 3.532 173 HG SER 21 HG SER 21 8.106 18.893 1.746 174 H LEU 22 H LEU 22 6.903 15.371 0.487 175 HA LEU 22 HA LEU 22 7.638 12.770 1.279 176 HB2 LEU 22 2HB LEU 22 5.588 13.990 -0.296 177 HB3 LEU 22 1HB LEU 22 6.271 12.642 -1.207 178 HG LEU 22 HG LEU 22 6.021 11.214 0.830 179 HD11 LEU 22 1HD1 LEU 22 5.149 12.004 2.772 180 HD12 LEU 22 2HD1 LEU 22 4.060 13.125 1.960 181 HD13 LEU 22 3HD1 LEU 22 5.757 13.549 2.177 182 HD21 LEU 22 3HD2 LEU 22 4.158 10.604 -0.253 183 HD22 LEU 22 1HD2 LEU 22 4.002 12.217 -0.955 184 HD23 LEU 22 2HD2 LEU 22 3.278 11.871 0.613 185 H SER 23 H SER 23 7.992 14.410 -1.875 186 HA SER 23 HA SER 23 9.377 12.381 -3.125 187 HB2 SER 23 2HB SER 23 8.847 13.800 -4.727 188 HB3 SER 23 1HB SER 23 8.937 15.207 -3.655 189 HG SER 23 HG SER 23 11.029 13.837 -4.991 190 H LEU 24 H LEU 24 10.522 14.735 -0.852 191 HA LEU 24 HA LEU 24 13.286 14.467 -1.324 192 HB2 LEU 24 2HB LEU 24 11.585 15.604 0.694 193 HB3 LEU 24 1HB LEU 24 12.894 14.699 1.452 194 HG LEU 24 HG LEU 24 13.435 17.107 0.934 195 HD11 LEU 24 1HD1 LEU 24 14.988 14.804 0.718 196 HD12 LEU 24 2HD1 LEU 24 15.592 16.453 0.877 197 HD13 LEU 24 3HD1 LEU 24 15.394 15.737 -0.722 198 HD21 LEU 24 3HD2 LEU 24 14.080 16.595 -1.849 199 HD22 LEU 24 1HD2 LEU 24 13.178 17.937 -1.147 200 HD23 LEU 24 2HD2 LEU 24 12.347 16.438 -1.560 201 H ILE 25 H ILE 25 10.912 12.487 0.348 202 HA ILE 25 HA ILE 25 13.038 10.485 0.832 203 HB ILE 25 HB ILE 25 11.809 11.507 2.869 204 HG12 ILE 25 2HG1 ILE 25 11.450 8.756 3.382 205 HG13 ILE 25 1HG1 ILE 25 12.711 8.837 2.189 206 HG21 ILE 25 1HG2 ILE 25 9.845 9.356 2.492 207 HG22 ILE 25 2HG2 ILE 25 9.576 10.764 1.447 208 HG23 ILE 25 3HG2 ILE 25 9.614 10.953 3.206 209 HD11 ILE 25 3HD1 ILE 25 13.934 9.055 4.172 210 HD12 ILE 25 1HD1 ILE 25 12.645 9.963 4.969 211 HD13 ILE 25 2HD1 ILE 25 13.661 10.747 3.751 212 H ILE 26 H ILE 26 11.162 10.881 -1.564 213 HA ILE 26 HA ILE 26 9.275 8.811 -1.566 214 HB ILE 26 HB ILE 26 10.492 10.669 -3.468 215 HG12 ILE 26 2HG1 ILE 26 8.156 10.745 -2.439 216 HG13 ILE 26 1HG1 ILE 26 8.235 10.938 -4.193 217 HG21 ILE 26 1HG2 ILE 26 9.660 7.956 -4.323 218 HG22 ILE 26 2HG2 ILE 26 11.158 8.781 -4.711 219 HG23 ILE 26 3HG2 ILE 26 9.635 9.314 -5.434 220 HD11 ILE 26 3HD1 ILE 26 6.710 9.079 -2.828 221 HD12 ILE 26 1HD1 ILE 26 8.090 8.162 -3.429 222 HD13 ILE 26 2HD1 ILE 26 7.086 9.080 -4.553 223 H LYS 27 H LYS 27 9.487 6.656 -1.819 224 HA LYS 27 HA LYS 27 12.121 5.669 -2.769 225 HB2 LYS 27 2HB LYS 27 10.783 5.163 -0.292 226 HB3 LYS 27 1HB LYS 27 10.862 3.660 -1.205 227 HG2 LYS 27 2HG LYS 27 13.308 5.400 -0.997 228 HG3 LYS 27 1HG LYS 27 12.866 4.357 0.352 229 HD2 LYS 27 2HD LYS 27 12.880 2.399 -1.115 230 HD3 LYS 27 1HD LYS 27 13.257 3.419 -2.504 231 HE2 LYS 27 2HE LYS 27 15.012 3.330 -0.044 232 HE3 LYS 27 1HE LYS 27 15.243 2.233 -1.405 233 HZ1 LYS 27 3HZ LYS 27 16.357 4.653 -1.224 234 HZ2 LYS 27 1HZ LYS 27 14.957 5.026 -2.105 235 HZ3 LYS 27 2HZ LYS 27 16.045 3.862 -2.695 236 H THR 28 H THR 28 12.050 3.543 -3.833 237 HA THR 28 HA THR 28 9.433 2.757 -4.886 238 HB THR 28 HB THR 28 9.885 4.158 -6.656 239 HG1 THR 28 1HG THR 28 11.294 1.758 -7.175 240 HG21 THR 28 3HG2 THR 28 12.488 4.061 -7.461 241 HG22 THR 28 1HG2 THR 28 12.667 3.825 -5.722 242 HG23 THR 28 2HG2 THR 28 11.849 5.261 -6.338 243 H SER 29 H SER 29 9.263 0.622 -5.234 244 HA SER 29 HA SER 29 11.737 -0.999 -5.097 245 HB2 SER 29 2HB SER 29 10.242 -2.787 -4.127 246 HB3 SER 29 1HB SER 29 10.457 -1.377 -3.089 247 HG SER 29 HG SER 29 8.438 -0.751 -3.504 248 H PHE 30 H PHE 30 11.812 -2.884 -6.435 249 HA PHE 30 HA PHE 30 9.732 -3.011 -8.532 250 HB2 PHE 30 2HB PHE 30 11.465 -3.305 -10.234 251 HB3 PHE 30 1HB PHE 30 11.674 -1.765 -9.401 252 HD1 PHE 30 2HD PHE 30 12.875 -5.292 -9.516 253 HD2 PHE 30 1HD PHE 30 13.650 -1.284 -8.190 254 HE1 PHE 30 2HE PHE 30 15.173 -5.955 -8.857 255 HE2 PHE 30 1HE PHE 30 15.949 -1.944 -7.530 256 HZ PHE 30 HZ PHE 30 16.710 -4.281 -7.865 257 H CYS 31 H CYS 31 9.197 -5.019 -9.257 258 HA CYS 31 HA CYS 31 10.743 -7.310 -8.214 259 HB2 CYS 31 2HB CYS 31 7.723 -7.213 -8.336 260 HB3 CYS 31 1HB CYS 31 8.729 -8.499 -7.663 261 HG CYS 31 HG CYS 31 7.835 -6.776 -5.776 262 H ALA 32 H ALA 32 10.635 -9.212 -9.476 263 HA ALA 32 HA ALA 32 9.844 -8.726 -12.277 264 HB1 ALA 32 1HB ALA 32 11.585 -10.921 -12.180 265 HB2 ALA 32 2HB ALA 32 12.246 -9.753 -11.039 266 HB3 ALA 32 3HB ALA 32 11.973 -9.287 -12.720 267 HA PRO 33 HA PRO 33 7.124 -12.195 -12.368 268 HB2 PRO 33 2HB PRO 33 8.682 -13.646 -14.409 269 HB3 PRO 33 1HB PRO 33 7.049 -12.967 -14.515 270 HG2 PRO 33 2HG PRO 33 9.177 -11.910 -15.795 271 HG3 PRO 33 1HG PRO 33 7.790 -10.953 -15.252 272 HD2 PRO 33 2HD PRO 33 10.530 -11.128 -14.086 273 HD3 PRO 33 1HD PRO 33 9.387 -9.768 -14.096 274 H GLY 34 H GLY 34 6.978 -13.823 -10.912 275 HA2 GLY 34 2HA GLY 34 7.506 -15.703 -9.683 276 HA3 GLY 34 1HA GLY 34 8.815 -16.010 -10.822 277 H GLU 35 H GLU 35 9.122 -12.881 -9.783 278 HA GLU 35 HA GLU 35 11.430 -13.505 -8.193 279 HB2 GLU 35 2HB GLU 35 10.849 -11.457 -9.794 280 HB3 GLU 35 1HB GLU 35 10.374 -10.764 -8.256 281 HG2 GLU 35 2HG GLU 35 13.003 -12.166 -8.395 282 HG3 GLU 35 1HG GLU 35 12.845 -10.580 -9.114 283 H PHE 36 H PHE 36 11.581 -13.712 -6.067 284 HA PHE 36 HA PHE 36 9.203 -13.335 -4.425 285 HB2 PHE 36 2HB PHE 36 11.704 -14.198 -3.132 286 HB3 PHE 36 1HB PHE 36 10.090 -14.905 -3.059 287 HD1 PHE 36 2HD PHE 36 13.211 -14.696 -5.040 288 HD2 PHE 36 1HD PHE 36 9.391 -16.611 -4.613 289 HE1 PHE 36 2HE PHE 36 13.888 -16.417 -6.693 290 HE2 PHE 36 1HE PHE 36 10.066 -18.332 -6.265 291 HZ PHE 36 HZ PHE 36 12.316 -18.234 -7.306 292 H LEU 37 H LEU 37 8.813 -11.460 -3.459 293 HA LEU 37 HA LEU 37 11.008 -9.601 -2.913 294 HB2 LEU 37 2HB LEU 37 8.544 -9.156 -3.911 295 HB3 LEU 37 1HB LEU 37 8.222 -8.906 -2.196 296 HG LEU 37 HG LEU 37 10.154 -7.321 -2.111 297 HD11 LEU 37 1HD1 LEU 37 11.601 -7.719 -3.859 298 HD12 LEU 37 2HD1 LEU 37 10.612 -6.479 -4.625 299 HD13 LEU 37 3HD1 LEU 37 10.304 -8.183 -4.961 300 HD21 LEU 37 3HD2 LEU 37 7.674 -6.953 -3.709 301 HD22 LEU 37 1HD2 LEU 37 8.898 -5.692 -3.873 302 HD23 LEU 37 2HD2 LEU 37 8.236 -6.076 -2.284 303 H ILE 38 H ILE 38 8.260 -11.078 -1.121 304 HA ILE 38 HA ILE 38 9.799 -10.629 1.334 305 HB ILE 38 HB ILE 38 7.335 -9.564 0.805 306 HG12 ILE 38 2HG1 ILE 38 7.337 -9.779 3.532 307 HG13 ILE 38 1HG1 ILE 38 9.044 -10.007 3.166 308 HG21 ILE 38 1HG2 ILE 38 6.989 -11.943 2.612 309 HG22 ILE 38 2HG2 ILE 38 6.382 -11.858 0.973 310 HG23 ILE 38 3HG2 ILE 38 5.747 -10.769 2.189 311 HD11 ILE 38 3HD1 ILE 38 7.313 -7.622 2.653 312 HD12 ILE 38 1HD1 ILE 38 8.612 -7.975 1.507 313 HD13 ILE 38 2HD1 ILE 38 8.987 -7.692 3.213 314 H ARG 39 H ARG 39 9.732 -12.159 2.974 315 HA ARG 39 HA ARG 39 8.709 -14.811 2.189 316 HB2 ARG 39 2HB ARG 39 10.982 -15.280 3.759 317 HB3 ARG 39 1HB ARG 39 10.808 -15.546 2.033 318 HG2 ARG 39 2HG ARG 39 12.766 -14.122 2.548 319 HG3 ARG 39 1HG ARG 39 11.571 -13.294 1.550 320 HD2 ARG 39 2HD ARG 39 11.618 -11.653 3.100 321 HD3 ARG 39 1HD ARG 39 10.717 -12.768 4.121 322 HE ARG 39 HE ARG 39 12.647 -13.128 5.372 323 HH11 ARG 39 1HH2 ARG 39 13.345 -11.480 2.409 324 HH12 ARG 39 2HH2 ARG 39 14.976 -11.098 2.848 325 HH21 ARG 39 1HH1 ARG 39 14.781 -12.630 5.952 326 HH22 ARG 39 2HH1 ARG 39 15.789 -11.748 4.854 327 H GLN 40 H GLN 40 7.071 -15.037 3.558 328 HA GLN 40 HA GLN 40 6.047 -14.249 5.717 329 HB2 GLN 40 2HB GLN 40 5.374 -16.425 5.202 330 HB3 GLN 40 1HB GLN 40 7.003 -17.072 5.380 331 HG2 GLN 40 2HG GLN 40 5.863 -15.780 7.795 332 HG3 GLN 40 1HG GLN 40 5.102 -17.285 7.297 333 HE21 GLN 40 1HE2 GLN 40 7.572 -16.110 9.213 334 HE22 GLN 40 2HE2 GLN 40 8.569 -17.484 9.237 335 H GLY 41 H GLY 41 6.518 -13.381 7.620 336 HA2 GLY 41 2HA GLY 41 7.529 -13.381 9.770 337 HA3 GLY 41 1HA GLY 41 8.867 -14.308 9.112 338 H ASP 42 H ASP 42 8.067 -11.846 6.988 339 HA ASP 42 HA ASP 42 10.481 -10.395 7.650 340 HB2 ASP 42 2HB ASP 42 8.693 -10.599 5.369 341 HB3 ASP 42 1HB ASP 42 9.101 -8.920 5.728 342 H ALA 43 H ALA 43 10.088 -7.827 7.292 343 HA ALA 43 HA ALA 43 8.079 -7.066 9.327 344 HB1 ALA 43 1HB ALA 43 10.928 -6.328 8.948 345 HB2 ALA 43 2HB ALA 43 9.997 -6.503 10.437 346 HB3 ALA 43 3HB ALA 43 9.839 -5.040 9.463 347 H LEU 44 H LEU 44 6.454 -5.961 8.452 348 HA LEU 44 HA LEU 44 6.875 -4.466 5.963 349 HB2 LEU 44 2HB LEU 44 4.860 -6.105 6.659 350 HB3 LEU 44 1HB LEU 44 4.195 -4.559 7.196 351 HG LEU 44 HG LEU 44 4.856 -3.621 4.929 352 HD11 LEU 44 1HD1 LEU 44 5.751 -6.422 4.674 353 HD12 LEU 44 2HD1 LEU 44 6.283 -4.987 3.799 354 HD13 LEU 44 3HD1 LEU 44 4.812 -5.826 3.306 355 HD21 LEU 44 3HD2 LEU 44 2.564 -4.034 5.219 356 HD22 LEU 44 1HD2 LEU 44 2.798 -5.777 5.313 357 HD23 LEU 44 2HD2 LEU 44 2.956 -4.950 3.765 358 H GLN 45 H GLN 45 7.516 -2.423 6.190 359 HA GLN 45 HA GLN 45 6.246 -0.796 8.307 360 HB2 GLN 45 2HB GLN 45 8.872 0.119 7.348 361 HB3 GLN 45 1HB GLN 45 8.240 0.028 8.991 362 HG2 GLN 45 2HG GLN 45 8.687 -2.358 9.087 363 HG3 GLN 45 1HG GLN 45 9.169 -2.373 7.393 364 HE21 GLN 45 1HE2 GLN 45 10.353 -2.027 10.583 365 HE22 GLN 45 2HE2 GLN 45 11.892 -1.428 10.192 366 H ALA 46 H ALA 46 7.669 -0.868 5.072 367 HA ALA 46 HA ALA 46 6.581 1.779 4.458 368 HB1 ALA 46 1HB ALA 46 8.625 1.704 3.428 369 HB2 ALA 46 2HB ALA 46 7.670 0.988 2.131 370 HB3 ALA 46 3HB ALA 46 8.581 -0.047 3.230 371 H ILE 47 H ILE 47 5.111 2.142 2.744 372 HA ILE 47 HA ILE 47 3.403 -0.199 2.147 373 HB ILE 47 HB ILE 47 2.256 1.646 3.284 374 HG12 ILE 47 2HG1 ILE 47 0.856 2.231 0.941 375 HG13 ILE 47 1HG1 ILE 47 1.587 0.660 0.616 376 HG21 ILE 47 1HG2 ILE 47 2.517 3.462 0.953 377 HG22 ILE 47 2HG2 ILE 47 3.955 3.293 1.960 378 HG23 ILE 47 3HG2 ILE 47 2.437 3.841 2.675 379 HD11 ILE 47 3HD1 ILE 47 -0.342 1.429 2.793 380 HD12 ILE 47 1HD1 ILE 47 0.734 0.048 3.010 381 HD13 ILE 47 2HD1 ILE 47 -0.418 0.067 1.675 382 H TYR 48 H TYR 48 3.032 -0.821 0.047 383 HA TYR 48 HA TYR 48 4.424 0.766 -2.016 384 HB2 TYR 48 2HB TYR 48 3.968 -2.100 -2.599 385 HB3 TYR 48 1HB TYR 48 5.333 -1.069 -2.992 386 HD1 TYR 48 1HD TYR 48 3.737 -2.192 0.242 387 HD2 TYR 48 2HD TYR 48 7.309 -1.852 -2.106 388 HE1 TYR 48 1HE TYR 48 5.037 -3.189 2.093 389 HE2 TYR 48 2HE TYR 48 8.614 -2.859 -0.254 390 HH TYR 48 HH TYR 48 8.382 -3.073 2.255 391 H PHE 49 H PHE 49 3.634 0.708 -4.123 392 HA PHE 49 HA PHE 49 0.779 0.002 -4.452 393 HB2 PHE 49 2HB PHE 49 1.779 2.602 -4.338 394 HB3 PHE 49 1HB PHE 49 1.700 2.261 -6.064 395 HD1 PHE 49 1HD PHE 49 -0.499 1.603 -7.132 396 HD2 PHE 49 2HD PHE 49 -0.201 2.881 -3.028 397 HE1 PHE 49 1HE PHE 49 -2.931 2.055 -7.085 398 HE2 PHE 49 2HE PHE 49 -2.644 3.311 -2.992 399 HZ PHE 49 HZ PHE 49 -4.006 2.897 -5.020 400 H VAL 50 H VAL 50 0.307 -0.850 -6.497 401 HA VAL 50 HA VAL 50 2.642 -1.446 -8.153 402 HB VAL 50 HB VAL 50 0.286 -2.882 -7.287 403 HG11 VAL 50 1HG1 VAL 50 -0.412 -2.284 -9.538 404 HG12 VAL 50 2HG1 VAL 50 -0.163 -4.017 -9.390 405 HG13 VAL 50 3HG1 VAL 50 1.036 -3.011 -10.209 406 HG21 VAL 50 3HG2 VAL 50 1.759 -4.806 -8.108 407 HG22 VAL 50 1HG2 VAL 50 2.446 -3.783 -6.849 408 HG23 VAL 50 2HG2 VAL 50 2.956 -3.580 -8.524 409 H CYS 51 H CYS 51 2.814 -0.607 -10.171 410 HA CYS 51 HA CYS 51 0.636 1.176 -11.025 411 HB2 CYS 51 2HB CYS 51 2.728 2.307 -10.915 412 HB3 CYS 51 1HB CYS 51 3.555 1.007 -11.775 413 HG CYS 51 HG CYS 51 1.645 1.797 -13.746 414 H SER 52 H SER 52 2.516 -1.603 -12.064 415 HA SER 52 HA SER 52 0.497 -2.437 -13.902 416 HB2 SER 52 2HB SER 52 2.655 -0.752 -14.914 417 HB3 SER 52 1HB SER 52 2.583 -2.314 -15.723 418 HG SER 52 HG SER 52 0.243 -0.818 -15.247 419 H GLY 53 H GLY 53 0.719 -4.587 -14.370 420 HA2 GLY 53 2HA GLY 53 2.346 -6.439 -14.829 421 HA3 GLY 53 1HA GLY 53 3.183 -5.900 -13.374 422 H SER 54 H SER 54 2.848 -8.102 -12.535 423 HA SER 54 HA SER 54 0.277 -8.269 -11.141 424 HB2 SER 54 2HB SER 54 1.138 -10.811 -12.404 425 HB3 SER 54 1HB SER 54 -0.483 -10.212 -12.062 426 HG SER 54 HG SER 54 -0.392 -8.949 -13.857 427 H MET 55 H MET 55 0.384 -9.300 -9.177 428 HA MET 55 HA MET 55 2.640 -10.981 -8.509 429 HB2 MET 55 2HB MET 55 3.473 -9.603 -6.668 430 HB3 MET 55 1HB MET 55 3.639 -8.759 -8.207 431 HG2 MET 55 2HG MET 55 2.578 -7.051 -7.188 432 HG3 MET 55 1HG MET 55 1.113 -8.012 -7.387 433 HE1 MET 55 3HE MET 55 1.697 -5.752 -5.194 434 HE2 MET 55 1HE MET 55 3.399 -6.224 -5.111 435 HE3 MET 55 2HE MET 55 2.391 -6.295 -3.669 436 H GLU 56 H GLU 56 2.525 -11.681 -6.162 437 HA GLU 56 HA GLU 56 -0.032 -11.412 -4.844 438 HB2 GLU 56 2HB GLU 56 -0.348 -13.993 -5.044 439 HB3 GLU 56 1HB GLU 56 -0.875 -12.959 -6.368 440 HG2 GLU 56 2HG GLU 56 0.409 -14.871 -7.224 441 HG3 GLU 56 1HG GLU 56 1.266 -13.363 -7.547 442 H VAL 57 H VAL 57 -0.131 -12.587 -2.808 443 HA VAL 57 HA VAL 57 2.537 -13.093 -1.725 444 HB VAL 57 HB VAL 57 1.732 -12.681 0.401 445 HG11 VAL 57 1HG1 VAL 57 1.547 -10.524 -0.305 446 HG12 VAL 57 2HG1 VAL 57 -0.178 -10.809 -0.094 447 HG13 VAL 57 3HG1 VAL 57 0.547 -10.948 -1.692 448 HG21 VAL 57 3HG2 VAL 57 -0.942 -13.431 -0.753 449 HG22 VAL 57 1HG2 VAL 57 -0.770 -12.667 0.817 450 HG23 VAL 57 2HG2 VAL 57 -0.043 -14.240 0.529 451 H LEU 58 H LEU 58 3.231 -15.093 -1.164 452 HA LEU 58 HA LEU 58 1.380 -17.325 -1.659 453 HB2 LEU 58 2HB LEU 58 4.187 -16.820 -2.227 454 HB3 LEU 58 1HB LEU 58 3.937 -18.375 -1.439 455 HG LEU 58 HG LEU 58 2.427 -17.420 -3.890 456 HD11 LEU 58 1HD1 LEU 58 4.967 -18.863 -3.500 457 HD12 LEU 58 2HD1 LEU 58 4.357 -18.025 -4.928 458 HD13 LEU 58 3HD1 LEU 58 3.837 -19.675 -4.583 459 HD21 LEU 58 3HD2 LEU 58 2.091 -20.114 -3.752 460 HD22 LEU 58 1HD2 LEU 58 0.955 -18.966 -3.045 461 HD23 LEU 58 2HD2 LEU 58 2.183 -19.727 -2.034 462 H LYS 59 H LYS 59 0.598 -18.423 -0.028 463 HA LYS 59 HA LYS 59 2.253 -19.363 2.084 464 HB2 LYS 59 2HB LYS 59 1.002 -16.873 2.539 465 HB3 LYS 59 1HB LYS 59 0.126 -18.050 3.508 466 HG2 LYS 59 2HG LYS 59 3.091 -17.468 3.546 467 HG3 LYS 59 1HG LYS 59 1.932 -17.235 4.853 468 HD2 LYS 59 2HD LYS 59 2.413 -19.288 5.595 469 HD3 LYS 59 1HD LYS 59 1.728 -19.945 4.118 470 HE2 LYS 59 2HE LYS 59 3.874 -20.814 3.980 471 HE3 LYS 59 1HE LYS 59 4.120 -19.292 3.124 472 HZ1 LYS 59 3HZ LYS 59 5.820 -19.349 4.681 473 HZ2 LYS 59 1HZ LYS 59 4.831 -19.982 5.905 474 HZ3 LYS 59 2HZ LYS 59 4.655 -18.361 5.424 475 H ASP 60 H ASP 60 1.371 -21.144 3.101 476 HA ASP 60 HA ASP 60 0.011 -22.958 3.390 477 HB2 ASP 60 2HB ASP 60 -2.167 -20.967 2.740 478 HB3 ASP 60 1HB ASP 60 -2.421 -22.569 3.429 479 H ASN 61 H ASN 61 1.244 -22.852 0.947 480 HA ASN 61 HA ASN 61 1.228 -23.945 -1.065 481 HB2 ASN 61 2HB ASN 61 -0.226 -25.516 0.445 482 HB3 ASN 61 1HB ASN 61 -1.548 -24.940 -0.568 483 HD21 ASN 61 1HD2 ASN 61 -1.077 -27.588 -0.879 484 HD22 ASN 61 2HD2 ASN 61 -0.218 -27.913 -2.306 485 H THR 62 H THR 62 -1.232 -21.689 -0.285 486 HA THR 62 HA THR 62 -1.658 -21.251 -3.172 487 HB THR 62 HB THR 62 -3.786 -20.910 -1.074 488 HG1 THR 62 1HG THR 62 -3.979 -22.774 -3.120 489 HG21 THR 62 3HG2 THR 62 -3.888 -20.779 -4.102 490 HG22 THR 62 1HG2 THR 62 -3.952 -19.372 -3.031 491 HG23 THR 62 2HG2 THR 62 -5.258 -20.565 -3.015 492 H VAL 63 H VAL 63 -2.104 -19.104 -3.784 493 HA VAL 63 HA VAL 63 -0.672 -17.194 -2.238 494 HB VAL 63 HB VAL 63 -1.833 -15.661 -4.096 495 HG11 VAL 63 1HG1 VAL 63 0.363 -17.662 -4.704 496 HG12 VAL 63 2HG1 VAL 63 0.604 -16.193 -3.759 497 HG13 VAL 63 3HG1 VAL 63 0.137 -16.086 -5.454 498 HG21 VAL 63 3HG2 VAL 63 -2.664 -16.828 -5.897 499 HG22 VAL 63 1HG2 VAL 63 -3.040 -17.994 -4.629 500 HG23 VAL 63 2HG2 VAL 63 -1.598 -18.208 -5.621 501 H LEU 64 H LEU 64 -1.467 -16.179 -0.507 502 HA LEU 64 HA LEU 64 -4.288 -16.190 0.040 503 HB2 LEU 64 2HB LEU 64 -1.863 -15.092 1.421 504 HB3 LEU 64 1HB LEU 64 -3.461 -14.536 1.909 505 HG LEU 64 HG LEU 64 -4.051 -17.085 1.999 506 HD11 LEU 64 1HD1 LEU 64 -1.038 -17.042 1.944 507 HD12 LEU 64 2HD1 LEU 64 -2.134 -18.079 1.032 508 HD13 LEU 64 3HD1 LEU 64 -1.918 -18.331 2.765 509 HD21 LEU 64 3HD2 LEU 64 -4.128 -16.341 4.136 510 HD22 LEU 64 1HD2 LEU 64 -2.754 -15.265 3.890 511 HD23 LEU 64 2HD2 LEU 64 -2.484 -16.961 4.291 512 H ALA 65 H ALA 65 -2.204 -14.219 -1.776 513 HA ALA 65 HA ALA 65 -4.365 -12.221 -1.960 514 HB1 ALA 65 1HB ALA 65 -3.062 -10.422 -1.442 515 HB2 ALA 65 2HB ALA 65 -1.602 -11.158 -2.104 516 HB3 ALA 65 3HB ALA 65 -2.177 -11.624 -0.504 517 H ILE 66 H ILE 66 -4.833 -11.663 -3.970 518 HA ILE 66 HA ILE 66 -2.870 -12.191 -6.096 519 HB ILE 66 HB ILE 66 -5.761 -13.061 -6.003 520 HG12 ILE 66 2HG1 ILE 66 -4.402 -15.153 -6.975 521 HG13 ILE 66 1HG1 ILE 66 -3.074 -14.377 -6.113 522 HG21 ILE 66 1HG2 ILE 66 -5.683 -12.191 -8.161 523 HG22 ILE 66 2HG2 ILE 66 -5.085 -13.827 -8.440 524 HG23 ILE 66 3HG2 ILE 66 -3.951 -12.480 -8.324 525 HD11 ILE 66 3HD1 ILE 66 -4.683 -14.261 -4.101 526 HD12 ILE 66 1HD1 ILE 66 -4.037 -15.852 -4.514 527 HD13 ILE 66 2HD1 ILE 66 -5.680 -15.410 -4.989 528 H LEU 67 H LEU 67 -2.419 -10.117 -6.717 529 HA LEU 67 HA LEU 67 -4.735 -8.420 -7.383 530 HB2 LEU 67 2HB LEU 67 -2.824 -6.607 -6.637 531 HB3 LEU 67 1HB LEU 67 -4.178 -7.125 -5.637 532 HG LEU 67 HG LEU 67 -2.727 -8.987 -4.769 533 HD11 LEU 67 1HD1 LEU 67 -1.223 -8.623 -6.918 534 HD12 LEU 67 2HD1 LEU 67 -0.505 -9.196 -5.412 535 HD13 LEU 67 3HD1 LEU 67 -0.373 -7.495 -5.865 536 HD21 LEU 67 3HD2 LEU 67 -1.805 -6.116 -4.435 537 HD22 LEU 67 1HD2 LEU 67 -1.223 -7.439 -3.426 538 HD23 LEU 67 2HD2 LEU 67 -2.931 -7.002 -3.408 539 H GLY 68 H GLY 68 -4.237 -6.605 -8.801 540 HA2 GLY 68 2HA GLY 68 -2.023 -7.193 -10.670 541 HA3 GLY 68 1HA GLY 68 -3.639 -6.777 -11.236 542 H LYS 69 H LYS 69 -2.776 -4.988 -12.361 543 HA LYS 69 HA LYS 69 -1.173 -2.956 -11.448 544 HB2 LYS 69 2HB LYS 69 -3.511 -2.389 -13.225 545 HB3 LYS 69 1HB LYS 69 -1.870 -1.767 -13.301 546 HG2 LYS 69 2HG LYS 69 -1.108 -4.142 -13.796 547 HG3 LYS 69 1HG LYS 69 -2.813 -4.550 -13.998 548 HD2 LYS 69 2HD LYS 69 -2.605 -2.295 -15.546 549 HD3 LYS 69 1HD LYS 69 -1.020 -3.035 -15.782 550 HE2 LYS 69 2HE LYS 69 -2.504 -5.240 -16.054 551 HE3 LYS 69 1HE LYS 69 -3.723 -4.059 -16.536 552 HZ1 LYS 69 3HZ LYS 69 -2.699 -4.416 -18.519 553 HZ2 LYS 69 1HZ LYS 69 -1.190 -4.755 -17.825 554 HZ3 LYS 69 2HZ LYS 69 -1.725 -3.147 -17.945 555 H GLY 70 H GLY 70 -1.370 -1.186 -10.236 556 HA2 GLY 70 2HA GLY 70 -2.360 0.603 -9.149 557 HA3 GLY 70 1HA GLY 70 -3.931 -0.023 -9.596 558 H ASP 71 H ASP 71 -3.045 -2.711 -8.421 559 HA ASP 71 HA ASP 71 -4.372 -2.604 -6.020 560 HB2 ASP 71 2HB ASP 71 -3.477 -4.724 -5.531 561 HB3 ASP 71 1HB ASP 71 -3.493 -4.639 -7.292 562 H LEU 72 H LEU 72 -3.490 -2.934 -3.804 563 HA LEU 72 HA LEU 72 -1.040 -1.359 -3.321 564 HB2 LEU 72 2HB LEU 72 -2.967 0.091 -2.873 565 HB3 LEU 72 1HB LEU 72 -3.650 -1.128 -1.798 566 HG LEU 72 HG LEU 72 -1.287 -0.931 -0.602 567 HD11 LEU 72 1HD1 LEU 72 -0.472 0.662 -2.389 568 HD12 LEU 72 2HD1 LEU 72 -0.315 1.258 -0.736 569 HD13 LEU 72 3HD1 LEU 72 -1.627 1.837 -1.759 570 HD21 LEU 72 3HD2 LEU 72 -3.561 1.059 -0.382 571 HD22 LEU 72 1HD2 LEU 72 -2.277 0.903 0.816 572 HD23 LEU 72 2HD2 LEU 72 -3.374 -0.444 0.520 573 H ILE 73 H ILE 73 0.263 -2.091 -1.725 574 HA ILE 73 HA ILE 73 -0.565 -4.549 -0.343 575 HB ILE 73 HB ILE 73 1.172 -5.067 -1.900 576 HG12 ILE 73 2HG1 ILE 73 3.047 -5.704 -0.402 577 HG13 ILE 73 1HG1 ILE 73 2.340 -4.707 0.870 578 HG21 ILE 73 1HG2 ILE 73 2.046 -2.461 -1.081 579 HG22 ILE 73 2HG2 ILE 73 2.239 -3.303 -2.617 580 HG23 ILE 73 3HG2 ILE 73 3.350 -3.637 -1.284 581 HD11 ILE 73 3HD1 ILE 73 0.636 -6.789 -0.451 582 HD12 ILE 73 1HD1 ILE 73 0.547 -6.149 1.190 583 HD13 ILE 73 2HD1 ILE 73 1.816 -7.295 0.758 584 H GLY 74 H GLY 74 -0.612 -4.503 1.813 585 HA2 GLY 74 2HA GLY 74 0.791 -3.871 3.820 586 HA3 GLY 74 1HA GLY 74 0.702 -2.231 3.179 587 H SER 75 H SER 75 -0.260 -3.304 5.754 588 HA SER 75 HA SER 75 -3.140 -3.382 5.618 589 HB2 SER 75 2HB SER 75 -2.521 -2.882 8.250 590 HB3 SER 75 1HB SER 75 -2.658 -4.484 7.526 591 HG SER 75 HG SER 75 -0.548 -3.475 8.627 592 H ASP 76 H ASP 76 -4.556 -1.755 5.851 593 HA ASP 76 HA ASP 76 -3.652 0.958 5.712 594 HB2 ASP 76 2HB ASP 76 -6.057 1.513 5.813 595 HB3 ASP 76 1HB ASP 76 -5.730 0.255 4.622 596 H SER 77 H SER 77 -5.276 2.416 7.336 597 HA SER 77 HA SER 77 -5.563 3.182 9.493 598 HB2 SER 77 2HB SER 77 -6.318 0.726 9.821 599 HB3 SER 77 1HB SER 77 -4.722 0.480 10.525 600 HG SER 77 HG SER 77 -6.588 2.472 11.318 601 H LEU 78 H LEU 78 -3.176 3.629 8.170 602 HA LEU 78 HA LEU 78 -0.794 2.918 9.336 603 HB2 LEU 78 2HB LEU 78 -1.756 5.382 7.950 604 HB3 LEU 78 1HB LEU 78 -0.175 5.421 8.735 605 HG LEU 78 HG LEU 78 0.633 3.603 7.419 606 HD11 LEU 78 1HD1 LEU 78 -2.281 3.180 6.840 607 HD12 LEU 78 2HD1 LEU 78 -1.069 2.008 7.354 608 HD13 LEU 78 3HD1 LEU 78 -1.077 2.598 5.693 609 HD21 LEU 78 3HD2 LEU 78 -0.334 4.410 5.017 610 HD22 LEU 78 1HD2 LEU 78 0.882 5.307 5.915 611 HD23 LEU 78 2HD2 LEU 78 -0.817 5.785 6.011 612 H THR 79 H THR 79 -3.351 4.549 10.830 613 HA THR 79 HA THR 79 -1.714 5.974 12.774 614 HB THR 79 HB THR 79 -4.554 5.607 13.408 615 HG1 THR 79 1HG THR 79 -4.859 7.246 11.549 616 HG21 THR 79 3HG2 THR 79 -4.437 7.955 13.803 617 HG22 THR 79 1HG2 THR 79 -3.013 8.129 12.777 618 HG23 THR 79 2HG2 THR 79 -2.885 7.306 14.332 619 H LYS 80 H LYS 80 -2.356 2.853 12.258 620 HA LYS 80 HA LYS 80 -3.041 2.007 14.943 621 HB2 LYS 80 2HB LYS 80 -3.836 0.769 12.947 622 HB3 LYS 80 1HB LYS 80 -2.163 0.370 12.555 623 HG2 LYS 80 2HG LYS 80 -2.616 -0.280 15.304 624 HG3 LYS 80 1HG LYS 80 -3.910 -0.997 14.343 625 HD2 LYS 80 2HD LYS 80 -2.400 -2.224 12.999 626 HD3 LYS 80 1HD LYS 80 -1.024 -1.238 13.494 627 HE2 LYS 80 2HE LYS 80 -0.580 -2.778 15.065 628 HE3 LYS 80 1HE LYS 80 -2.065 -2.293 15.880 629 HZ1 LYS 80 3HZ LYS 80 -3.280 -3.955 14.800 630 HZ2 LYS 80 1HZ LYS 80 -1.839 -4.721 15.263 631 HZ3 LYS 80 2HZ LYS 80 -2.061 -4.237 13.650 632 H GLU 81 H GLU 81 -0.569 3.560 14.576 633 HA GLU 81 HA GLU 81 1.778 3.299 14.791 634 HB2 GLU 81 2HB GLU 81 1.182 1.940 17.352 635 HB3 GLU 81 1HB GLU 81 2.097 3.415 17.042 636 HG2 GLU 81 2HG GLU 81 -0.156 4.498 16.459 637 HG3 GLU 81 1HG GLU 81 -0.901 3.081 17.198 638 H GLN 82 H GLN 82 2.717 1.242 16.780 639 HA GLN 82 HA GLN 82 4.160 -0.556 16.302 640 HB2 GLN 82 2HB GLN 82 2.201 -1.243 17.704 641 HB3 GLN 82 1HB GLN 82 1.477 -1.862 16.227 642 HG2 GLN 82 2HG GLN 82 2.677 -3.633 17.464 643 HG3 GLN 82 1HG GLN 82 3.335 -3.352 15.860 644 HE21 GLN 82 1HE2 GLN 82 3.905 -2.670 19.323 645 HE22 GLN 82 2HE2 GLN 82 5.567 -2.368 19.151 646 H VAL 83 H VAL 83 5.258 -1.354 14.680 647 HA VAL 83 HA VAL 83 4.319 -1.294 12.002 648 HB VAL 83 HB VAL 83 6.669 -0.982 12.527 649 HG11 VAL 83 1HG1 VAL 83 6.170 -3.084 14.290 650 HG12 VAL 83 2HG1 VAL 83 7.734 -2.316 13.999 651 HG13 VAL 83 3HG1 VAL 83 7.279 -3.768 13.101 652 HG21 VAL 83 3HG2 VAL 83 6.184 -1.915 10.323 653 HG22 VAL 83 1HG2 VAL 83 6.091 -3.542 10.998 654 HG23 VAL 83 2HG2 VAL 83 7.633 -2.689 10.965 655 H ILE 84 H ILE 84 3.617 -2.885 10.666 656 HA ILE 84 HA ILE 84 2.717 -5.366 11.916 657 HB ILE 84 HB ILE 84 2.221 -4.624 9.053 658 HG12 ILE 84 2HG1 ILE 84 0.035 -3.660 10.470 659 HG13 ILE 84 1HG1 ILE 84 1.411 -3.112 11.429 660 HG21 ILE 84 1HG2 ILE 84 0.520 -5.967 11.174 661 HG22 ILE 84 2HG2 ILE 84 1.499 -6.825 9.983 662 HG23 ILE 84 3HG2 ILE 84 0.140 -5.833 9.456 663 HD11 ILE 84 3HD1 ILE 84 2.411 -2.045 9.495 664 HD12 ILE 84 1HD1 ILE 84 0.740 -1.497 9.621 665 HD13 ILE 84 2HD1 ILE 84 1.178 -2.724 8.432 666 H LYS 85 H LYS 85 3.618 -7.259 11.617 667 HA LYS 85 HA LYS 85 5.987 -7.418 9.919 668 HB2 LYS 85 2HB LYS 85 5.737 -9.885 11.086 669 HB3 LYS 85 1HB LYS 85 6.644 -8.538 11.763 670 HG2 LYS 85 2HG LYS 85 4.965 -7.968 13.263 671 HG3 LYS 85 1HG LYS 85 3.709 -8.729 12.293 672 HD2 LYS 85 2HD LYS 85 4.214 -10.867 13.058 673 HD3 LYS 85 1HD LYS 85 5.882 -10.441 13.436 674 HE2 LYS 85 2HE LYS 85 4.083 -10.735 15.364 675 HE3 LYS 85 1HE LYS 85 5.344 -9.506 15.461 676 HZ1 LYS 85 3HZ LYS 85 2.547 -9.123 14.545 677 HZ2 LYS 85 1HZ LYS 85 3.753 -7.935 14.436 678 HZ3 LYS 85 2HZ LYS 85 3.253 -8.498 15.958 679 H THR 86 H THR 86 6.241 -8.871 8.270 680 HA THR 86 HA THR 86 3.813 -9.618 6.881 681 HB THR 86 HB THR 86 6.655 -10.238 6.071 682 HG1 THR 86 1HG THR 86 5.211 -7.989 5.218 683 HG21 THR 86 3HG2 THR 86 5.584 -11.184 4.334 684 HG22 THR 86 1HG2 THR 86 5.036 -9.570 3.882 685 HG23 THR 86 2HG2 THR 86 4.025 -10.591 4.903 686 H ASN 87 H ASN 87 2.790 -11.458 7.281 687 HA ASN 87 HA ASN 87 4.191 -13.685 8.541 688 HB2 ASN 87 2HB ASN 87 1.802 -12.764 9.107 689 HB3 ASN 87 1HB ASN 87 1.304 -13.763 7.742 690 HD21 ASN 87 1HD2 ASN 87 3.954 -14.523 10.025 691 HD22 ASN 87 2HD2 ASN 87 3.220 -15.919 10.653 692 H ALA 88 H ALA 88 2.680 -12.865 5.466 693 HA ALA 88 HA ALA 88 3.173 -15.562 4.471 694 HB1 ALA 88 1HB ALA 88 1.473 -13.281 3.612 695 HB2 ALA 88 2HB ALA 88 1.097 -15.004 3.667 696 HB3 ALA 88 3HB ALA 88 2.080 -14.355 2.351 697 H ASN 89 H ASN 89 3.644 -15.246 1.887 698 HA ASN 89 HA ASN 89 6.255 -13.835 1.782 699 HB2 ASN 89 2HB ASN 89 6.237 -16.386 1.560 700 HB3 ASN 89 1HB ASN 89 5.334 -16.175 0.069 701 HD21 ASN 89 1HD2 ASN 89 8.415 -16.714 1.101 702 HD22 ASN 89 2HD2 ASN 89 9.276 -15.939 -0.141 703 H VAL 90 H VAL 90 6.802 -13.109 -0.513 704 HA VAL 90 HA VAL 90 4.425 -12.359 -2.039 705 HB VAL 90 HB VAL 90 6.475 -10.641 -0.783 706 HG11 VAL 90 1HG1 VAL 90 6.870 -10.337 -3.134 707 HG12 VAL 90 2HG1 VAL 90 6.067 -8.904 -2.494 708 HG13 VAL 90 3HG1 VAL 90 5.157 -10.086 -3.441 709 HG21 VAL 90 3HG2 VAL 90 4.233 -10.646 0.147 710 HG22 VAL 90 1HG2 VAL 90 3.529 -10.388 -1.449 711 HG23 VAL 90 2HG2 VAL 90 4.473 -9.110 -0.686 712 H LYS 91 H LYS 91 4.613 -12.759 -4.119 713 HA LYS 91 HA LYS 91 7.280 -12.863 -5.319 714 HB2 LYS 91 2HB LYS 91 6.331 -15.187 -4.554 715 HB3 LYS 91 1HB LYS 91 5.325 -15.027 -5.993 716 HG2 LYS 91 2HG LYS 91 7.412 -14.593 -7.325 717 HG3 LYS 91 1HG LYS 91 8.352 -14.959 -5.878 718 HD2 LYS 91 2HD LYS 91 8.243 -16.992 -7.144 719 HD3 LYS 91 1HD LYS 91 7.132 -17.188 -5.788 720 HE2 LYS 91 2HE LYS 91 5.305 -17.250 -7.139 721 HE3 LYS 91 1HE LYS 91 5.918 -15.964 -8.179 722 HZ1 LYS 91 3HZ LYS 91 7.614 -18.004 -8.681 723 HZ2 LYS 91 1HZ LYS 91 6.274 -17.595 -9.637 724 HZ3 LYS 91 2HZ LYS 91 6.138 -18.818 -8.465 725 H ALA 92 H ALA 92 7.248 -11.555 -7.015 726 HA ALA 92 HA ALA 92 4.835 -10.591 -8.193 727 HB1 ALA 92 1HB ALA 92 7.741 -10.216 -8.590 728 HB2 ALA 92 2HB ALA 92 6.441 -9.025 -8.584 729 HB3 ALA 92 3HB ALA 92 6.750 -9.986 -10.030 730 H LEU 93 H LEU 93 3.586 -11.674 -9.560 731 HA LEU 93 HA LEU 93 4.357 -14.146 -10.758 732 HB2 LEU 93 2HB LEU 93 1.943 -12.603 -10.389 733 HB3 LEU 93 1HB LEU 93 2.049 -13.176 -12.052 734 HG LEU 93 HG LEU 93 2.298 -15.459 -11.330 735 HD11 LEU 93 1HD1 LEU 93 1.971 -15.565 -8.605 736 HD12 LEU 93 2HD1 LEU 93 3.001 -14.144 -8.786 737 HD13 LEU 93 3HD1 LEU 93 3.523 -15.700 -9.430 738 HD21 LEU 93 3HD2 LEU 93 0.206 -14.365 -9.458 739 HD22 LEU 93 1HD2 LEU 93 0.145 -15.822 -10.449 740 HD23 LEU 93 2HD2 LEU 93 0.001 -14.234 -11.204 741 H THR 94 H THR 94 3.661 -10.900 -11.981 742 HA THR 94 HA THR 94 5.220 -11.523 -14.413 743 HB THR 94 HB THR 94 3.722 -10.078 -15.688 744 HG1 THR 94 1HG THR 94 3.187 -8.759 -13.829 745 HG21 THR 94 3HG2 THR 94 1.490 -11.474 -14.836 746 HG22 THR 94 1HG2 THR 94 2.824 -12.489 -14.287 747 HG23 THR 94 2HG2 THR 94 2.683 -12.063 -15.993 748 H TYR 95 H TYR 95 6.549 -9.813 -15.169 749 HA TYR 95 HA TYR 95 7.852 -8.278 -13.307 750 HB2 TYR 95 2HB TYR 95 7.816 -6.709 -15.661 751 HB3 TYR 95 1HB TYR 95 9.066 -7.841 -15.138 752 HD1 TYR 95 2HD TYR 95 5.547 -8.192 -16.417 753 HD2 TYR 95 1HD TYR 95 9.672 -9.321 -16.830 754 HE1 TYR 95 2HE TYR 95 4.946 -9.714 -18.281 755 HE2 TYR 95 1HE TYR 95 9.070 -10.841 -18.694 756 HH TYR 95 HH TYR 95 7.191 -12.000 -19.583 757 H CYS 96 H CYS 96 7.134 -6.777 -11.960 758 HA CYS 96 HA CYS 96 5.144 -4.850 -12.946 759 HB2 CYS 96 2HB CYS 96 4.096 -6.677 -11.544 760 HB3 CYS 96 1HB CYS 96 5.048 -6.073 -10.189 761 HG CYS 96 HG CYS 96 2.730 -4.518 -11.569 762 H ASP 97 H ASP 97 5.411 -2.784 -12.311 763 HA ASP 97 HA ASP 97 7.845 -2.157 -10.797 764 HB2 ASP 97 2HB ASP 97 7.775 -0.837 -12.727 765 HB3 ASP 97 1HB ASP 97 6.029 -0.613 -12.628 766 H LEU 98 H LEU 98 7.758 -1.520 -8.716 767 HA LEU 98 HA LEU 98 5.109 -0.751 -7.647 768 HB2 LEU 98 2HB LEU 98 7.308 -2.134 -6.109 769 HB3 LEU 98 1HB LEU 98 5.646 -1.853 -5.591 770 HG LEU 98 HG LEU 98 5.264 -3.176 -7.962 771 HD11 LEU 98 1HD1 LEU 98 7.605 -3.673 -8.287 772 HD12 LEU 98 2HD1 LEU 98 6.811 -5.166 -7.786 773 HD13 LEU 98 3HD1 LEU 98 7.766 -4.242 -6.626 774 HD21 LEU 98 3HD2 LEU 98 4.271 -3.561 -5.643 775 HD22 LEU 98 1HD2 LEU 98 5.675 -4.573 -5.305 776 HD23 LEU 98 2HD2 LEU 98 4.557 -5.018 -6.593 777 H GLN 99 H GLN 99 4.977 0.896 -6.198 778 HA GLN 99 HA GLN 99 7.439 2.468 -5.738 779 HB2 GLN 99 2HB GLN 99 5.787 3.513 -7.345 780 HB3 GLN 99 1HB GLN 99 4.636 3.580 -6.009 781 HG2 GLN 99 2HG GLN 99 5.707 5.316 -5.014 782 HG3 GLN 99 1HG GLN 99 7.302 4.647 -5.352 783 HE21 GLN 99 1HE2 GLN 99 8.247 5.099 -7.502 784 HE22 GLN 99 2HE2 GLN 99 7.679 6.403 -8.428 785 H TYR 100 H TYR 100 7.852 2.956 -3.624 786 HA TYR 100 HA TYR 100 5.700 2.834 -1.676 787 HB2 TYR 100 2HB TYR 100 6.710 1.208 -0.241 788 HB3 TYR 100 1HB TYR 100 6.569 0.477 -1.833 789 HD1 TYR 100 2HD TYR 100 9.075 2.413 -2.764 790 HD2 TYR 100 1HD TYR 100 8.399 -0.517 0.291 791 HE1 TYR 100 2HE TYR 100 11.490 1.905 -2.721 792 HE2 TYR 100 1HE TYR 100 10.817 -1.031 0.327 793 HH TYR 100 HH TYR 100 12.782 -0.778 -1.481 794 H ILE 101 H ILE 101 6.469 3.348 0.528 795 HA ILE 101 HA ILE 101 8.903 4.913 0.661 796 HB ILE 101 HB ILE 101 7.913 6.886 0.273 797 HG12 ILE 101 2HG1 ILE 101 7.655 6.763 2.833 798 HG13 ILE 101 1HG1 ILE 101 6.587 7.882 1.988 799 HG21 ILE 101 1HG2 ILE 101 5.410 5.230 0.390 800 HG22 ILE 101 2HG2 ILE 101 6.239 5.816 -1.058 801 HG23 ILE 101 3HG2 ILE 101 5.383 6.950 -0.007 802 HD11 ILE 101 3HD1 ILE 101 5.715 5.949 3.735 803 HD12 ILE 101 1HD1 ILE 101 5.526 5.142 2.178 804 HD13 ILE 101 2HD1 ILE 101 4.721 6.679 2.475 805 H SER 102 H SER 102 9.510 5.454 2.820 806 HA SER 102 HA SER 102 8.613 3.466 4.713 807 HB2 SER 102 2HB SER 102 10.337 4.449 6.184 808 HB3 SER 102 1HB SER 102 10.986 4.060 4.593 809 HG SER 102 HG SER 102 9.923 6.543 4.640 810 H LEU 103 H LEU 103 7.036 3.726 6.137 811 HA LEU 103 HA LEU 103 5.333 5.884 6.294 812 HB2 LEU 103 2HB LEU 103 5.587 3.437 7.607 813 HB3 LEU 103 1HB LEU 103 5.684 4.630 8.903 814 HG LEU 103 HG LEU 103 3.342 3.954 8.453 815 HD11 LEU 103 1HD1 LEU 103 4.231 6.410 8.997 816 HD12 LEU 103 2HD1 LEU 103 2.519 6.095 8.714 817 HD13 LEU 103 3HD1 LEU 103 3.521 6.752 7.419 818 HD21 LEU 103 3HD2 LEU 103 2.532 3.786 6.349 819 HD22 LEU 103 1HD2 LEU 103 4.179 4.054 5.778 820 HD23 LEU 103 2HD2 LEU 103 3.073 5.417 5.949 821 H LYS 104 H LYS 104 8.411 5.370 7.856 822 HA LYS 104 HA LYS 104 8.268 7.539 9.703 823 HB2 LYS 104 2HB LYS 104 9.875 5.680 9.937 824 HB3 LYS 104 1HB LYS 104 10.672 6.184 8.450 825 HG2 LYS 104 2HG LYS 104 11.722 7.930 9.448 826 HG3 LYS 104 1HG LYS 104 10.314 8.331 10.434 827 HD2 LYS 104 2HD LYS 104 10.851 6.699 12.069 828 HD3 LYS 104 1HD LYS 104 11.984 5.879 10.992 829 HE2 LYS 104 2HE LYS 104 12.354 8.683 12.086 830 HE3 LYS 104 1HE LYS 104 13.155 7.241 12.712 831 HZ1 LYS 104 3HZ LYS 104 13.923 8.840 10.553 832 HZ2 LYS 104 1HZ LYS 104 13.498 7.320 9.933 833 HZ3 LYS 104 2HZ LYS 104 14.682 7.441 11.147 834 H GLY 105 H GLY 105 9.266 7.119 6.385 835 HA2 GLY 105 2HA GLY 105 10.497 9.681 6.015 836 HA3 GLY 105 1HA GLY 105 9.966 8.573 4.751 837 H LEU 106 H LEU 106 7.331 8.298 5.253 838 HA LEU 106 HA LEU 106 6.247 10.612 4.038 839 HB2 LEU 106 2HB LEU 106 5.419 8.282 3.758 840 HB3 LEU 106 1HB LEU 106 4.757 8.369 5.385 841 HG LEU 106 HG LEU 106 3.897 10.726 4.149 842 HD11 LEU 106 1HD1 LEU 106 3.104 10.216 2.025 843 HD12 LEU 106 2HD1 LEU 106 3.148 8.477 2.307 844 HD13 LEU 106 3HD1 LEU 106 4.647 9.366 2.026 845 HD21 LEU 106 3HD2 LEU 106 2.481 8.074 4.552 846 HD22 LEU 106 1HD2 LEU 106 1.678 9.624 4.293 847 HD23 LEU 106 2HD2 LEU 106 2.638 9.360 5.751 848 H ARG 107 H ARG 107 5.969 9.308 7.338 849 HA ARG 107 HA ARG 107 4.155 11.311 8.186 850 HB2 ARG 107 2HB ARG 107 4.539 9.023 9.251 851 HB3 ARG 107 1HB ARG 107 5.920 9.764 10.040 852 HG2 ARG 107 2HG ARG 107 4.062 9.970 11.552 853 HG3 ARG 107 1HG ARG 107 4.369 11.574 10.880 854 HD2 ARG 107 2HD ARG 107 2.199 11.598 10.269 855 HD3 ARG 107 1HD ARG 107 2.640 10.410 9.046 856 HE ARG 107 HE ARG 107 1.537 8.801 10.300 857 HH11 ARG 107 1HH2 ARG 107 2.236 11.598 12.216 858 HH12 ARG 107 2HH2 ARG 107 1.356 11.040 13.600 859 HH21 ARG 107 1HH1 ARG 107 0.382 8.064 12.115 860 HH22 ARG 107 2HH1 ARG 107 0.307 9.042 13.543 861 H GLU 108 H GLU 108 7.603 11.198 8.067 862 HA GLU 108 HA GLU 108 8.112 13.320 9.912 863 HB2 GLU 108 2HB GLU 108 9.851 11.704 9.099 864 HB3 GLU 108 1HB GLU 108 9.794 12.505 7.528 865 HG2 GLU 108 2HG GLU 108 11.475 13.762 8.443 866 HG3 GLU 108 1HG GLU 108 10.116 14.668 9.108 867 H VAL 109 H VAL 109 8.012 13.167 6.396 868 HA VAL 109 HA VAL 109 8.211 15.908 5.821 869 HB VAL 109 HB VAL 109 6.953 15.125 3.676 870 HG11 VAL 109 1HG1 VAL 109 9.327 15.211 3.526 871 HG12 VAL 109 2HG1 VAL 109 8.956 13.515 3.171 872 HG13 VAL 109 3HG1 VAL 109 9.517 13.976 4.773 873 HG21 VAL 109 3HG2 VAL 109 5.719 13.298 4.357 874 HG22 VAL 109 1HG2 VAL 109 7.026 12.625 5.314 875 HG23 VAL 109 2HG2 VAL 109 7.104 12.552 3.564 876 H LEU 110 H LEU 110 5.441 13.780 6.287 877 HA LEU 110 HA LEU 110 3.397 15.709 6.050 878 HB2 LEU 110 2HB LEU 110 3.723 12.967 6.931 879 HB3 LEU 110 1HB LEU 110 2.513 13.779 7.848 880 HG LEU 110 HG LEU 110 1.372 14.443 5.759 881 HD11 LEU 110 1HD1 LEU 110 3.315 14.608 4.298 882 HD12 LEU 110 2HD1 LEU 110 2.168 13.462 3.619 883 HD13 LEU 110 3HD1 LEU 110 3.607 12.879 4.451 884 HD21 LEU 110 3HD2 LEU 110 0.660 12.200 5.063 885 HD22 LEU 110 1HD2 LEU 110 0.831 12.259 6.814 886 HD23 LEU 110 2HD2 LEU 110 2.076 11.494 5.832 887 H ARG 111 H ARG 111 5.622 14.887 8.603 888 HA ARG 111 HA ARG 111 4.316 16.031 10.809 889 HB2 ARG 111 2HB ARG 111 6.628 14.756 10.603 890 HB3 ARG 111 1HB ARG 111 7.269 16.394 10.472 891 HG2 ARG 111 2HG ARG 111 6.372 17.017 12.597 892 HG3 ARG 111 1HG ARG 111 5.377 15.562 12.681 893 HD2 ARG 111 2HD ARG 111 7.130 14.235 13.321 894 HD3 ARG 111 1HD ARG 111 8.298 15.136 12.360 895 HE ARG 111 HE ARG 111 7.453 16.793 14.462 896 HH11 ARG 111 1HH2 ARG 111 9.152 13.824 13.929 897 HH12 ARG 111 2HH2 ARG 111 10.151 13.986 15.334 898 HH21 ARG 111 1HH1 ARG 111 8.762 17.009 16.303 899 HH22 ARG 111 2HH1 ARG 111 9.932 15.788 16.677 900 H LEU 112 H LEU 112 6.215 17.403 8.182 901 HA LEU 112 HA LEU 112 6.371 20.059 9.164 902 HB2 LEU 112 2HB LEU 112 7.052 18.680 6.753 903 HB3 LEU 112 1HB LEU 112 6.079 20.084 6.315 904 HG LEU 112 HG LEU 112 8.493 20.644 6.431 905 HD11 LEU 112 1HD1 LEU 112 8.089 22.702 7.369 906 HD12 LEU 112 2HD1 LEU 112 7.361 22.013 8.819 907 HD13 LEU 112 3HD1 LEU 112 6.426 22.119 7.328 908 HD21 LEU 112 3HD2 LEU 112 9.795 19.936 8.137 909 HD22 LEU 112 1HD2 LEU 112 8.421 18.980 8.690 910 HD23 LEU 112 2HD2 LEU 112 8.684 20.599 9.335 911 H TYR 113 H TYR 113 3.925 18.153 7.607 912 HA TYR 113 HA TYR 113 2.026 20.435 7.796 913 HB2 TYR 113 2HB TYR 113 2.282 18.238 5.755 914 HB3 TYR 113 1HB TYR 113 0.723 19.009 6.045 915 HD1 TYR 113 1HD TYR 113 0.523 21.523 5.810 916 HD2 TYR 113 2HD TYR 113 3.993 19.344 4.520 917 HE1 TYR 113 1HE TYR 113 1.205 23.444 4.401 918 HE2 TYR 113 2HE TYR 113 4.676 21.267 3.111 919 HH TYR 113 HH TYR 113 4.270 23.402 2.598 920 HA PRO 114 HA PRO 114 0.969 17.238 10.967 921 HB2 PRO 114 2HB PRO 114 -0.236 19.577 12.293 922 HB3 PRO 114 1HB PRO 114 0.958 18.416 12.900 923 HG2 PRO 114 2HG PRO 114 1.595 20.943 12.262 924 HG3 PRO 114 1HG PRO 114 2.725 19.592 12.069 925 HD2 PRO 114 2HD PRO 114 1.142 21.038 9.979 926 HD3 PRO 114 1HD PRO 114 2.776 20.345 9.885 927 H GLU 115 H GLU 115 -1.301 19.794 9.817 928 HA GLU 115 HA GLU 115 -3.610 18.402 10.750 929 HB2 GLU 115 2HB GLU 115 -3.307 20.548 8.636 930 HB3 GLU 115 1HB GLU 115 -4.852 19.973 9.262 931 HG2 GLU 115 2HG GLU 115 -4.259 20.681 11.514 932 HG3 GLU 115 1HG GLU 115 -2.643 21.140 10.977 933 H TYR 116 H TYR 116 -2.232 18.807 7.514 934 HA TYR 116 HA TYR 116 -4.020 17.032 6.215 935 HB2 TYR 116 2HB TYR 116 -1.229 17.945 5.474 936 HB3 TYR 116 1HB TYR 116 -2.332 17.098 4.398 937 HD1 TYR 116 1HD TYR 116 -4.817 18.173 4.369 938 HD2 TYR 116 2HD TYR 116 -1.190 20.262 5.322 939 HE1 TYR 116 1HE TYR 116 -5.908 20.327 3.799 940 HE2 TYR 116 2HE TYR 116 -2.277 22.416 4.752 941 HH TYR 116 HH TYR 116 -4.083 23.368 3.798 942 H ALA 117 H ALA 117 -0.981 16.676 7.880 943 HA ALA 117 HA ALA 117 -0.269 14.106 7.031 944 HB1 ALA 117 1HB ALA 117 1.386 15.363 8.067 945 HB2 ALA 117 2HB ALA 117 0.989 14.142 9.282 946 HB3 ALA 117 3HB ALA 117 0.355 15.779 9.432 947 H GLN 118 H GLN 118 -1.695 15.002 10.182 948 HA GLN 118 HA GLN 118 -2.105 12.422 11.096 949 HB2 GLN 118 2HB GLN 118 -3.791 14.901 11.530 950 HB3 GLN 118 1HB GLN 118 -3.950 13.419 12.456 951 HG2 GLN 118 2HG GLN 118 -1.524 15.207 12.309 952 HG3 GLN 118 1HG GLN 118 -2.547 14.908 13.710 953 HE21 GLN 118 1HE2 GLN 118 -0.047 13.473 11.641 954 HE22 GLN 118 2HE2 GLN 118 0.317 12.188 12.687 955 H LYS 119 H LYS 119 -3.885 14.333 8.807 956 HA LYS 119 HA LYS 119 -6.155 12.593 8.621 957 HB2 LYS 119 2HB LYS 119 -5.453 15.152 7.679 958 HB3 LYS 119 1HB LYS 119 -5.730 14.166 6.243 959 HG2 LYS 119 2HG LYS 119 -7.878 14.995 6.785 960 HG3 LYS 119 1HG LYS 119 -7.874 13.361 7.449 961 HD2 LYS 119 2HD LYS 119 -6.994 14.504 9.623 962 HD3 LYS 119 1HD LYS 119 -7.625 15.985 8.902 963 HE2 LYS 119 2HE LYS 119 -9.838 14.868 8.630 964 HE3 LYS 119 1HE LYS 119 -9.194 13.452 9.460 965 HZ1 LYS 119 3HZ LYS 119 -8.628 15.763 10.964 966 HZ2 LYS 119 1HZ LYS 119 -9.567 14.420 11.399 967 HZ3 LYS 119 2HZ LYS 119 -10.287 15.736 10.599 968 H PHE 120 H PHE 120 -2.963 12.631 7.145 969 HA PHE 120 HA PHE 120 -3.502 11.330 4.748 970 HB2 PHE 120 2HB PHE 120 -1.313 11.506 4.514 971 HB3 PHE 120 1HB PHE 120 -1.249 12.158 6.145 972 HD1 PHE 120 1HD PHE 120 -0.965 9.039 4.126 973 HD2 PHE 120 2HD PHE 120 -0.352 10.862 7.968 974 HE1 PHE 120 1HE PHE 120 0.393 7.111 4.826 975 HE2 PHE 120 2HE PHE 120 0.990 8.912 8.678 976 HZ PHE 120 HZ PHE 120 1.366 7.036 7.110 977 H VAL 121 H VAL 121 -2.860 9.847 7.918 978 HA VAL 121 HA VAL 121 -2.676 7.209 7.108 979 HB VAL 121 HB VAL 121 -3.432 6.607 9.362 980 HG11 VAL 121 1HG1 VAL 121 -1.567 8.914 8.943 981 HG12 VAL 121 2HG1 VAL 121 -1.211 7.275 9.486 982 HG13 VAL 121 3HG1 VAL 121 -1.952 8.429 10.593 983 HG21 VAL 121 3HG2 VAL 121 -5.232 7.889 9.995 984 HG22 VAL 121 1HG2 VAL 121 -4.625 9.329 9.177 985 HG23 VAL 121 2HG2 VAL 121 -3.967 8.864 10.745 986 H SER 122 H SER 122 -5.553 9.197 7.542 987 HA SER 122 HA SER 122 -7.344 6.956 7.070 988 HB2 SER 122 2HB SER 122 -8.547 8.304 8.416 989 HB3 SER 122 1HB SER 122 -7.577 9.719 8.015 990 HG SER 122 HG SER 122 -9.504 10.131 7.100 991 H GLU 123 H GLU 123 -5.950 9.598 5.246 992 HA GLU 123 HA GLU 123 -7.816 9.568 3.099 993 HB2 GLU 123 2HB GLU 123 -4.992 10.585 3.342 994 HB3 GLU 123 1HB GLU 123 -5.930 10.736 1.856 995 HG2 GLU 123 2HG GLU 123 -7.536 12.132 2.865 996 HG3 GLU 123 1HG GLU 123 -7.066 11.648 4.493 997 H ILE 124 H ILE 124 -4.799 7.797 3.676 998 HA ILE 124 HA ILE 124 -4.363 6.806 1.114 999 HB ILE 124 HB ILE 124 -3.128 6.492 3.503 1000 HG12 ILE 124 2HG1 ILE 124 -2.931 5.195 0.828 1001 HG13 ILE 124 1HG1 ILE 124 -1.755 6.179 1.695 1002 HG21 ILE 124 1HG2 ILE 124 -3.242 4.193 4.217 1003 HG22 ILE 124 2HG2 ILE 124 -4.291 3.766 2.868 1004 HG23 ILE 124 3HG2 ILE 124 -4.892 4.804 4.159 1005 HD11 ILE 124 3HD1 ILE 124 -2.330 3.242 1.967 1006 HD12 ILE 124 1HD1 ILE 124 -1.642 4.128 3.325 1007 HD13 ILE 124 2HD1 ILE 124 -0.775 4.055 1.792 1008 H GLN 125 H GLN 125 -6.570 5.693 3.636 1009 HA GLN 125 HA GLN 125 -7.307 3.205 2.788 1010 HB2 GLN 125 2HB GLN 125 -8.943 5.430 3.990 1011 HB3 GLN 125 1HB GLN 125 -9.618 3.835 3.667 1012 HG2 GLN 125 2HG GLN 125 -8.831 3.879 5.949 1013 HG3 GLN 125 1HG GLN 125 -7.805 2.825 4.987 1014 HE21 GLN 125 1HE2 GLN 125 -6.035 3.184 6.572 1015 HE22 GLN 125 2HE2 GLN 125 -5.157 4.637 6.540 1016 H HIS 126 H HIS 126 -8.115 6.268 1.302 1017 HA HIS 126 HA HIS 126 -10.294 5.489 -0.263 1018 HB2 HIS 126 2HB HIS 126 -10.020 7.735 -0.433 1019 HB3 HIS 126 1HB HIS 126 -8.268 7.625 -0.368 1020 HD1 HIS 126 1HD HIS 126 -11.033 6.667 -2.827 1021 HD2 HIS 126 2HD HIS 126 -7.118 8.103 -2.829 1022 HE1 HIS 126 1HE HIS 126 -10.421 7.080 -5.249 1023 HE2 HIS 126 2HE HIS 126 -8.037 7.951 -5.268 1024 H ASP 127 H ASP 127 -7.000 4.550 -0.474 1025 HA ASP 127 HA ASP 127 -7.515 3.346 -3.129 1026 HB2 ASP 127 2HB ASP 127 -5.160 4.787 -2.048 1027 HB3 ASP 127 1HB ASP 127 -4.833 3.370 -3.043 1028 H LEU 128 H LEU 128 -7.854 2.362 -0.250 1029 HA LEU 128 HA LEU 128 -5.877 0.374 0.217 1030 HB2 LEU 128 2HB LEU 128 -7.257 1.159 2.038 1031 HB3 LEU 128 1HB LEU 128 -8.720 0.621 1.215 1032 HG LEU 128 HG LEU 128 -7.947 -1.708 1.331 1033 HD11 LEU 128 1HD1 LEU 128 -5.489 -0.355 2.371 1034 HD12 LEU 128 2HD1 LEU 128 -5.631 -1.730 1.277 1035 HD13 LEU 128 3HD1 LEU 128 -5.894 -1.949 3.006 1036 HD21 LEU 128 3HD2 LEU 128 -7.877 -0.175 3.947 1037 HD22 LEU 128 1HD2 LEU 128 -7.973 -1.933 3.849 1038 HD23 LEU 128 2HD2 LEU 128 -9.280 -0.942 3.201 1039 H THR 129 H THR 129 -5.496 -1.286 -1.107 1040 HA THR 129 HA THR 129 -7.784 -2.583 -2.450 1041 HB THR 129 HB THR 129 -4.885 -2.305 -3.153 1042 HG1 THR 129 1HG THR 129 -7.193 -2.306 -4.775 1043 HG21 THR 129 3HG2 THR 129 -6.667 -4.641 -3.683 1044 HG22 THR 129 1HG2 THR 129 -4.918 -4.591 -3.463 1045 HG23 THR 129 2HG2 THR 129 -5.630 -4.082 -4.994 1046 H TYR 130 H TYR 130 -4.663 -3.401 -0.886 1047 HA TYR 130 HA TYR 130 -5.982 -5.794 0.235 1048 HB2 TYR 130 2HB TYR 130 -4.290 -6.095 -1.810 1049 HB3 TYR 130 1HB TYR 130 -3.102 -5.998 -0.507 1050 HD1 TYR 130 1HD TYR 130 -3.061 -7.681 1.297 1051 HD2 TYR 130 2HD TYR 130 -5.895 -7.924 -1.928 1052 HE1 TYR 130 1HE TYR 130 -3.592 -10.016 1.936 1053 HE2 TYR 130 2HE TYR 130 -6.421 -10.260 -1.287 1054 HH TYR 130 HH TYR 130 -5.849 -11.561 1.537 1055 H ASN 131 H ASN 131 -5.927 -5.657 2.369 1056 HA ASN 131 HA ASN 131 -3.879 -4.021 3.669 1057 HB2 ASN 131 2HB ASN 131 -5.923 -3.458 4.593 1058 HB3 ASN 131 1HB ASN 131 -6.554 -5.097 4.459 1059 HD21 ASN 131 1HD2 ASN 131 -4.987 -2.865 6.586 1060 HD22 ASN 131 2HD2 ASN 131 -4.703 -3.950 7.859 1061 H LEU 132 H LEU 132 -2.027 -5.050 4.155 1062 HA LEU 132 HA LEU 132 -2.036 -7.909 4.722 1063 HB2 LEU 132 2HB LEU 132 -0.259 -6.656 3.348 1064 HB3 LEU 132 1HB LEU 132 0.341 -6.064 4.896 1065 HG LEU 132 HG LEU 132 -0.169 -8.997 4.666 1066 HD11 LEU 132 1HD1 LEU 132 0.998 -8.253 2.542 1067 HD12 LEU 132 2HD1 LEU 132 1.877 -9.436 3.509 1068 HD13 LEU 132 3HD1 LEU 132 2.345 -7.735 3.555 1069 HD21 LEU 132 3HD2 LEU 132 1.263 -9.081 6.441 1070 HD22 LEU 132 1HD2 LEU 132 0.894 -7.362 6.581 1071 HD23 LEU 132 2HD2 LEU 132 2.354 -7.886 5.741 1072 H ARG 133 H ARG 133 -2.468 -8.586 6.738 1073 HA ARG 133 HA ARG 133 -1.828 -6.810 9.004 1074 HB2 ARG 133 2HB ARG 133 -3.783 -9.073 8.640 1075 HB3 ARG 133 1HB ARG 133 -3.309 -8.527 10.248 1076 HG2 ARG 133 2HG ARG 133 -3.908 -6.229 8.625 1077 HG3 ARG 133 1HG ARG 133 -5.250 -7.368 8.525 1078 HD2 ARG 133 2HD ARG 133 -5.284 -5.665 10.464 1079 HD3 ARG 133 1HD ARG 133 -5.599 -7.352 10.858 1080 HE ARG 133 HE ARG 133 -2.811 -6.690 11.075 1081 HH11 ARG 133 1HH2 ARG 133 -5.907 -6.513 12.609 1082 HH12 ARG 133 2HH2 ARG 133 -5.263 -6.455 14.216 1083 HH21 ARG 133 1HH1 ARG 133 -1.957 -6.613 13.180 1084 HH22 ARG 133 2HH1 ARG 133 -3.026 -6.511 14.539 1085 H GLU 134 H GLU 134 -0.791 -7.644 10.860 1086 HA GLU 134 HA GLU 134 1.403 -9.344 10.332 1087 HB2 GLU 134 2HB GLU 134 1.549 -9.342 12.917 1088 HB3 GLU 134 1HB GLU 134 1.729 -7.803 12.073 1089 HG2 GLU 134 2HG GLU 134 -0.099 -6.964 13.079 1090 HG3 GLU 134 1HG GLU 134 -1.068 -8.349 12.579 1091 H GLY 135 H GLY 135 1.857 -11.444 11.071 1092 HA2 GLY 135 2HA GLY 135 1.409 -13.643 11.589 1093 HA3 GLY 135 1HA GLY 135 0.009 -13.069 12.490 Start of MODEL 6 1 H1 MET 1 H MET 1 4.955 7.147 -19.927 2 HA MET 1 HA MET 1 3.950 4.550 -19.121 3 HB2 MET 1 2HB MET 1 6.249 5.627 -17.506 4 HB3 MET 1 1HB MET 1 5.557 4.004 -17.502 5 HG2 MET 1 2HG MET 1 6.311 4.181 -20.099 6 HG3 MET 1 1HG MET 1 7.533 5.213 -19.356 7 HE1 MET 1 3HE MET 1 8.039 1.030 -20.003 8 HE2 MET 1 1HE MET 1 8.387 2.535 -20.864 9 HE3 MET 1 2HE MET 1 6.719 2.043 -20.584 10 H ASN 2 H ASN 2 4.408 5.131 -16.285 11 HA ASN 2 HA ASN 2 2.471 7.347 -15.991 12 HB2 ASN 2 2HB ASN 2 2.156 4.747 -15.210 13 HB3 ASN 2 1HB ASN 2 2.785 5.483 -13.737 14 HD21 ASN 2 1HD2 ASN 2 0.879 5.716 -12.497 15 HD22 ASN 2 2HD2 ASN 2 -0.486 6.581 -13.020 16 H LYS 3 H LYS 3 2.598 7.915 -13.390 17 HA LYS 3 HA LYS 3 5.417 8.688 -12.923 18 HB2 LYS 3 2HB LYS 3 3.597 10.483 -13.573 19 HB3 LYS 3 1HB LYS 3 3.138 10.325 -11.877 20 HG2 LYS 3 2HG LYS 3 4.791 11.790 -11.421 21 HG3 LYS 3 1HG LYS 3 5.921 10.491 -11.800 22 HD2 LYS 3 2HD LYS 3 5.722 11.204 -14.242 23 HD3 LYS 3 1HD LYS 3 4.886 12.643 -13.658 24 HE2 LYS 3 2HE LYS 3 7.688 11.771 -12.900 25 HE3 LYS 3 1HE LYS 3 7.263 13.139 -13.929 26 HZ1 LYS 3 3HZ LYS 3 7.409 14.240 -11.986 27 HZ2 LYS 3 1HZ LYS 3 7.104 12.866 -11.039 28 HZ3 LYS 3 2HZ LYS 3 5.815 13.690 -11.780 29 H GLU 4 H GLU 4 4.971 9.842 -10.392 30 HA GLU 4 HA GLU 4 5.132 7.567 -8.714 31 HB2 GLU 4 2HB GLU 4 4.606 10.448 -7.942 32 HB3 GLU 4 1HB GLU 4 5.189 9.171 -6.873 33 HG2 GLU 4 2HG GLU 4 7.255 8.989 -8.054 34 HG3 GLU 4 1HG GLU 4 6.654 9.963 -9.395 35 H LEU 5 H LEU 5 3.658 6.609 -7.358 36 HA LEU 5 HA LEU 5 0.914 6.820 -8.051 37 HB2 LEU 5 2HB LEU 5 1.955 4.725 -7.238 38 HB3 LEU 5 1HB LEU 5 2.137 5.460 -5.648 39 HG LEU 5 HG LEU 5 0.075 3.963 -6.024 40 HD11 LEU 5 1HD1 LEU 5 0.454 6.343 -4.545 41 HD12 LEU 5 2HD1 LEU 5 -0.583 4.976 -4.158 42 HD13 LEU 5 3HD1 LEU 5 -1.217 6.322 -5.102 43 HD21 LEU 5 3HD2 LEU 5 -0.419 5.118 -8.275 44 HD22 LEU 5 1HD2 LEU 5 -1.087 6.432 -7.304 45 HD23 LEU 5 2HD2 LEU 5 -1.785 4.819 -7.202 46 H LEU 6 H LEU 6 2.867 8.489 -5.736 47 HA LEU 6 HA LEU 6 0.981 9.126 -3.793 48 HB2 LEU 6 2HB LEU 6 2.247 11.247 -3.462 49 HB3 LEU 6 1HB LEU 6 3.268 9.802 -3.475 50 HG LEU 6 HG LEU 6 3.353 10.368 -6.098 51 HD11 LEU 6 1HD1 LEU 6 2.792 12.988 -4.691 52 HD12 LEU 6 2HD1 LEU 6 1.964 12.315 -6.094 53 HD13 LEU 6 3HD1 LEU 6 3.618 12.904 -6.246 54 HD21 LEU 6 3HD2 LEU 6 5.263 10.159 -4.483 55 HD22 LEU 6 1HD2 LEU 6 5.019 11.847 -4.037 56 HD23 LEU 6 2HD2 LEU 6 5.505 11.431 -5.681 57 H GLN 7 H GLN 7 0.214 9.372 -6.850 58 HA GLN 7 HA GLN 7 -0.602 12.046 -7.226 59 HB2 GLN 7 2HB GLN 7 -0.557 9.961 -8.877 60 HB3 GLN 7 1HB GLN 7 -2.239 9.822 -8.360 61 HG2 GLN 7 2HG GLN 7 -2.047 12.514 -8.798 62 HG3 GLN 7 1HG GLN 7 -0.949 11.891 -10.030 63 HE21 GLN 7 1HE2 GLN 7 -3.982 12.927 -9.910 64 HE22 GLN 7 2HE2 GLN 7 -4.761 11.814 -10.926 65 H LEU 8 H LEU 8 -1.465 9.825 -4.953 66 HA LEU 8 HA LEU 8 -4.251 10.135 -4.716 67 HB2 LEU 8 2HB LEU 8 -2.142 9.633 -2.608 68 HB3 LEU 8 1HB LEU 8 -3.878 9.509 -2.323 69 HG LEU 8 HG LEU 8 -2.512 7.985 -4.542 70 HD11 LEU 8 1HD1 LEU 8 -1.415 6.941 -2.814 71 HD12 LEU 8 2HD1 LEU 8 -2.950 6.081 -2.684 72 HD13 LEU 8 3HD1 LEU 8 -2.609 7.443 -1.617 73 HD21 LEU 8 3HD2 LEU 8 -5.170 7.858 -3.117 74 HD22 LEU 8 1HD2 LEU 8 -4.559 6.492 -4.049 75 HD23 LEU 8 2HD2 LEU 8 -4.864 8.036 -4.843 76 HA PRO 9 HA PRO 9 -5.018 14.345 -3.633 77 HB2 PRO 9 2HB PRO 9 -6.546 13.180 -1.349 78 HB3 PRO 9 1HB PRO 9 -7.041 14.394 -2.540 79 HG2 PRO 9 2HG PRO 9 -7.830 11.831 -2.667 80 HG3 PRO 9 1HG PRO 9 -7.585 12.835 -4.105 81 HD2 PRO 9 2HD PRO 9 -5.976 10.563 -3.133 82 HD3 PRO 9 1HD PRO 9 -6.045 11.293 -4.751 83 H LEU 10 H LEU 10 -3.482 12.188 -1.382 84 HA LEU 10 HA LEU 10 -3.314 13.700 0.902 85 HB2 LEU 10 2HB LEU 10 -0.846 12.723 0.957 86 HB3 LEU 10 1HB LEU 10 -2.290 11.808 1.394 87 HG LEU 10 HG LEU 10 -2.201 11.405 -1.320 88 HD11 LEU 10 1HD1 LEU 10 0.090 12.708 -1.019 89 HD12 LEU 10 2HD1 LEU 10 -0.058 11.349 -2.146 90 HD13 LEU 10 3HD1 LEU 10 0.659 11.097 -0.555 91 HD21 LEU 10 3HD2 LEU 10 -2.404 9.400 -0.308 92 HD22 LEU 10 1HD2 LEU 10 -1.507 9.927 1.113 93 HD23 LEU 10 2HD2 LEU 10 -0.641 9.351 -0.313 94 H PHE 11 H PHE 11 -1.063 13.913 -1.852 95 HA PHE 11 HA PHE 11 0.183 16.156 -0.542 96 HB2 PHE 11 2HB PHE 11 1.879 16.140 -2.139 97 HB3 PHE 11 1HB PHE 11 1.527 14.438 -1.807 98 HD1 PHE 11 1HD PHE 11 -0.491 13.542 -3.132 99 HD2 PHE 11 2HD PHE 11 1.989 16.743 -4.453 100 HE1 PHE 11 1HE PHE 11 -1.233 13.145 -5.470 101 HE2 PHE 11 2HE PHE 11 1.289 16.349 -6.800 102 HZ PHE 11 HZ PHE 11 -0.332 14.539 -7.312 103 H GLU 12 H GLU 12 -1.617 15.509 -3.527 104 HA GLU 12 HA GLU 12 -1.578 18.044 -4.661 105 HB2 GLU 12 2HB GLU 12 -2.566 16.113 -5.799 106 HB3 GLU 12 1HB GLU 12 -3.862 16.059 -4.603 107 HG2 GLU 12 2HG GLU 12 -4.438 17.232 -6.781 108 HG3 GLU 12 1HG GLU 12 -4.741 18.141 -5.303 109 H SER 13 H SER 13 -3.241 16.874 -1.854 110 HA SER 13 HA SER 13 -4.884 19.295 -1.659 111 HB2 SER 13 2HB SER 13 -5.973 18.187 0.203 112 HB3 SER 13 1HB SER 13 -5.882 17.062 -1.150 113 HG SER 13 HG SER 13 -4.979 16.707 1.279 114 H ALA 14 H ALA 14 -1.815 18.293 -0.860 115 HA ALA 14 HA ALA 14 -1.672 19.937 1.582 116 HB1 ALA 14 1HB ALA 14 -0.672 17.458 1.183 117 HB2 ALA 14 2HB ALA 14 0.088 18.635 2.254 118 HB3 ALA 14 3HB ALA 14 0.690 18.425 0.604 119 H SER 15 H SER 15 0.333 21.260 1.770 120 HA SER 15 HA SER 15 0.623 22.974 -0.481 121 HB2 SER 15 2HB SER 15 1.445 22.973 2.245 122 HB3 SER 15 1HB SER 15 2.898 23.149 1.266 123 HG SER 15 HG SER 15 2.036 24.940 0.320 124 H ARG 16 H ARG 16 2.274 23.017 -2.036 125 HA ARG 16 HA ARG 16 3.307 20.633 -2.914 126 HB2 ARG 16 2HB ARG 16 4.577 23.384 -3.158 127 HB3 ARG 16 1HB ARG 16 5.064 21.971 -4.096 128 HG2 ARG 16 2HG ARG 16 2.163 22.552 -4.120 129 HG3 ARG 16 1HG ARG 16 3.174 23.755 -4.920 130 HD2 ARG 16 2HD ARG 16 3.530 20.811 -5.458 131 HD3 ARG 16 1HD ARG 16 2.338 21.761 -6.339 132 HE ARG 16 HE ARG 16 5.163 21.791 -6.759 133 HH11 ARG 16 1HH2 ARG 16 2.322 23.766 -6.690 134 HH12 ARG 16 2HH2 ARG 16 2.932 24.924 -7.826 135 HH21 ARG 16 1HH1 ARG 16 5.970 23.305 -8.245 136 HH22 ARG 16 2HH1 ARG 16 4.998 24.663 -8.706 137 H GLY 17 H GLY 17 4.157 22.490 -0.200 138 HA2 GLY 17 2HA GLY 17 6.828 21.750 0.247 139 HA3 GLY 17 1HA GLY 17 5.662 22.168 1.503 140 H CYS 18 H CYS 18 3.752 20.096 0.998 141 HA CYS 18 HA CYS 18 4.995 17.940 2.434 142 HB2 CYS 18 2HB CYS 18 2.367 18.765 1.988 143 HB3 CYS 18 1HB CYS 18 2.488 17.258 1.070 144 HG CYS 18 HG CYS 18 2.801 17.515 4.149 145 H LEU 19 H LEU 19 4.128 18.565 -0.930 146 HA LEU 19 HA LEU 19 4.635 15.921 -1.850 147 HB2 LEU 19 2HB LEU 19 3.429 17.675 -3.159 148 HB3 LEU 19 1HB LEU 19 4.968 18.505 -3.391 149 HG LEU 19 HG LEU 19 5.885 16.440 -4.450 150 HD11 LEU 19 1HD1 LEU 19 3.356 15.352 -3.486 151 HD12 LEU 19 2HD1 LEU 19 4.784 14.506 -4.078 152 HD13 LEU 19 3HD1 LEU 19 3.563 15.073 -5.215 153 HD21 LEU 19 3HD2 LEU 19 3.726 16.673 -6.274 154 HD22 LEU 19 1HD2 LEU 19 5.275 17.514 -6.331 155 HD23 LEU 19 2HD2 LEU 19 3.903 18.247 -5.501 156 H ARG 20 H ARG 20 6.627 18.728 -1.244 157 HA ARG 20 HA ARG 20 9.066 17.679 -2.342 158 HB2 ARG 20 2HB ARG 20 8.516 19.849 -0.302 159 HB3 ARG 20 1HB ARG 20 10.089 19.528 -1.009 160 HG2 ARG 20 2HG ARG 20 7.663 20.082 -2.692 161 HG3 ARG 20 1HG ARG 20 8.721 21.363 -2.099 162 HD2 ARG 20 2HD ARG 20 10.254 20.932 -3.680 163 HD3 ARG 20 1HD ARG 20 10.283 19.225 -3.263 164 HE ARG 20 HE ARG 20 7.968 19.984 -4.814 165 HH11 ARG 20 1HH2 ARG 20 11.301 19.050 -4.868 166 HH12 ARG 20 2HH2 ARG 20 11.236 18.405 -6.473 167 HH21 ARG 20 1HH1 ARG 20 7.877 19.143 -6.922 168 HH22 ARG 20 2HH1 ARG 20 9.299 18.458 -7.636 169 H SER 21 H SER 21 7.515 17.855 0.757 170 HA SER 21 HA SER 21 9.462 16.775 2.470 171 HB2 SER 21 2HB SER 21 7.696 16.597 3.995 172 HB3 SER 21 1HB SER 21 7.179 17.887 2.926 173 HG SER 21 HG SER 21 6.513 15.174 2.481 174 H LEU 22 H LEU 22 6.800 15.133 0.770 175 HA LEU 22 HA LEU 22 7.608 12.524 1.527 176 HB2 LEU 22 2HB LEU 22 5.556 13.699 -0.075 177 HB3 LEU 22 1HB LEU 22 6.338 12.423 -1.008 178 HG LEU 22 HG LEU 22 6.089 10.896 0.944 179 HD11 LEU 22 1HD1 LEU 22 5.149 11.556 2.906 180 HD12 LEU 22 2HD1 LEU 22 4.030 12.670 2.129 181 HD13 LEU 22 3HD1 LEU 22 5.705 13.149 2.407 182 HD21 LEU 22 3HD2 LEU 22 3.586 10.715 0.717 183 HD22 LEU 22 1HD2 LEU 22 4.466 10.754 -0.810 184 HD23 LEU 22 2HD2 LEU 22 3.631 12.203 -0.228 185 H SER 23 H SER 23 8.041 14.306 -1.539 186 HA SER 23 HA SER 23 9.553 12.377 -2.804 187 HB2 SER 23 2HB SER 23 9.076 13.849 -4.367 188 HB3 SER 23 1HB SER 23 9.043 15.205 -3.227 189 HG SER 23 HG SER 23 10.914 14.694 -4.943 190 H LEU 24 H LEU 24 10.485 14.627 -0.357 191 HA LEU 24 HA LEU 24 13.283 14.466 -0.678 192 HB2 LEU 24 2HB LEU 24 11.420 15.434 1.309 193 HB3 LEU 24 1HB LEU 24 12.774 14.596 2.068 194 HG LEU 24 HG LEU 24 13.170 17.047 1.652 195 HD11 LEU 24 1HD1 LEU 24 14.875 14.892 1.427 196 HD12 LEU 24 2HD1 LEU 24 15.381 16.579 1.517 197 HD13 LEU 24 3HD1 LEU 24 15.199 15.796 -0.052 198 HD21 LEU 24 3HD2 LEU 24 13.887 16.755 -1.128 199 HD22 LEU 24 1HD2 LEU 24 12.809 17.936 -0.384 200 HD23 LEU 24 2HD2 LEU 24 12.180 16.374 -0.906 201 H ILE 25 H ILE 25 10.868 12.372 0.792 202 HA ILE 25 HA ILE 25 13.007 10.398 1.332 203 HB ILE 25 HB ILE 25 11.659 11.344 3.326 204 HG12 ILE 25 2HG1 ILE 25 11.333 8.586 3.777 205 HG13 ILE 25 1HG1 ILE 25 12.635 8.701 2.629 206 HG21 ILE 25 1HG2 ILE 25 9.757 9.172 2.852 207 HG22 ILE 25 2HG2 ILE 25 9.514 10.560 1.774 208 HG23 ILE 25 3HG2 ILE 25 9.461 10.774 3.528 209 HD11 ILE 25 3HD1 ILE 25 13.796 8.914 4.643 210 HD12 ILE 25 1HD1 ILE 25 12.459 9.761 5.428 211 HD13 ILE 25 2HD1 ILE 25 13.486 10.609 4.264 212 H ILE 26 H ILE 26 11.276 10.820 -1.154 213 HA ILE 26 HA ILE 26 9.438 8.704 -1.322 214 HB ILE 26 HB ILE 26 10.700 10.667 -3.096 215 HG12 ILE 26 2HG1 ILE 26 8.340 10.720 -2.146 216 HG13 ILE 26 1HG1 ILE 26 8.462 10.943 -3.894 217 HG21 ILE 26 1HG2 ILE 26 9.923 7.981 -4.076 218 HG22 ILE 26 2HG2 ILE 26 11.410 8.851 -4.409 219 HG23 ILE 26 3HG2 ILE 26 9.887 9.377 -5.136 220 HD11 ILE 26 3HD1 ILE 26 6.926 9.041 -2.579 221 HD12 ILE 26 1HD1 ILE 26 8.306 8.157 -3.223 222 HD13 ILE 26 2HD1 ILE 26 7.293 9.116 -4.302 223 H LYS 27 H LYS 27 9.727 6.572 -1.677 224 HA LYS 27 HA LYS 27 12.419 5.710 -2.580 225 HB2 LYS 27 2HB LYS 27 10.628 4.116 -0.736 226 HB3 LYS 27 1HB LYS 27 12.299 3.776 -1.170 227 HG2 LYS 27 2HG LYS 27 12.027 6.467 -0.109 228 HG3 LYS 27 1HG LYS 27 11.419 5.270 1.033 229 HD2 LYS 27 2HD LYS 27 13.562 3.972 0.667 230 HD3 LYS 27 1HD LYS 27 14.164 5.360 -0.240 231 HE2 LYS 27 2HE LYS 27 14.170 6.753 1.655 232 HE3 LYS 27 1HE LYS 27 13.055 5.712 2.539 233 HZ1 LYS 27 3HZ LYS 27 15.831 4.975 1.783 234 HZ2 LYS 27 1HZ LYS 27 14.761 4.044 2.713 235 HZ3 LYS 27 2HZ LYS 27 15.354 5.515 3.322 236 H THR 28 H THR 28 12.482 3.797 -3.905 237 HA THR 28 HA THR 28 9.886 3.092 -5.130 238 HB THR 28 HB THR 28 11.088 3.003 -7.336 239 HG1 THR 28 1HG THR 28 13.187 2.978 -6.838 240 HG21 THR 28 3HG2 THR 28 11.055 5.697 -5.948 241 HG22 THR 28 1HG2 THR 28 9.652 4.912 -6.673 242 HG23 THR 28 2HG2 THR 28 10.998 5.428 -7.689 243 H SER 29 H SER 29 9.575 0.978 -5.567 244 HA SER 29 HA SER 29 11.862 -0.873 -5.279 245 HB2 SER 29 2HB SER 29 10.016 -2.426 -4.236 246 HB3 SER 29 1HB SER 29 10.827 -1.231 -3.225 247 HG SER 29 HG SER 29 8.712 -0.176 -4.558 248 H PHE 30 H PHE 30 11.908 -2.531 -6.755 249 HA PHE 30 HA PHE 30 9.593 -2.730 -8.589 250 HB2 PHE 30 2HB PHE 30 11.429 -3.379 -10.304 251 HB3 PHE 30 1HB PHE 30 11.209 -1.677 -9.906 252 HD1 PHE 30 1HD PHE 30 13.324 -4.649 -9.394 253 HD2 PHE 30 2HD PHE 30 12.847 -0.461 -8.586 254 HE1 PHE 30 1HE PHE 30 15.671 -4.538 -8.597 255 HE2 PHE 30 2HE PHE 30 15.193 -0.347 -7.790 256 HZ PHE 30 HZ PHE 30 16.606 -2.385 -7.795 257 H CYS 31 H CYS 31 9.007 -4.748 -9.319 258 HA CYS 31 HA CYS 31 10.511 -7.044 -8.223 259 HB2 CYS 31 2HB CYS 31 7.502 -6.942 -8.469 260 HB3 CYS 31 1HB CYS 31 8.482 -8.196 -7.701 261 HG CYS 31 HG CYS 31 7.702 -6.654 -5.770 262 H ALA 32 H ALA 32 10.419 -8.963 -9.448 263 HA ALA 32 HA ALA 32 9.768 -8.522 -12.292 264 HB1 ALA 32 1HB ALA 32 11.413 -10.744 -12.150 265 HB2 ALA 32 2HB ALA 32 12.037 -9.699 -10.877 266 HB3 ALA 32 3HB ALA 32 11.937 -9.103 -12.535 267 HA PRO 33 HA PRO 33 6.947 -11.930 -12.360 268 HB2 PRO 33 2HB PRO 33 8.462 -13.426 -14.400 269 HB3 PRO 33 1HB PRO 33 6.856 -12.688 -14.513 270 HG2 PRO 33 2HG PRO 33 9.016 -11.706 -15.791 271 HG3 PRO 33 1HG PRO 33 7.677 -10.693 -15.231 272 HD2 PRO 33 2HD PRO 33 10.403 -11.030 -14.054 273 HD3 PRO 33 1HD PRO 33 9.357 -9.593 -14.099 274 H GLY 34 H GLY 34 6.779 -13.554 -10.894 275 HA2 GLY 34 2HA GLY 34 7.294 -15.438 -9.660 276 HA3 GLY 34 1HA GLY 34 8.604 -15.757 -10.795 277 H GLU 35 H GLU 35 8.906 -12.620 -9.756 278 HA GLU 35 HA GLU 35 11.226 -13.226 -8.172 279 HB2 GLU 35 2HB GLU 35 10.580 -11.146 -9.742 280 HB3 GLU 35 1HB GLU 35 10.169 -10.488 -8.163 281 HG2 GLU 35 2HG GLU 35 12.433 -9.941 -8.362 282 HG3 GLU 35 1HG GLU 35 12.461 -11.435 -7.432 283 H PHE 36 H PHE 36 11.373 -13.452 -6.043 284 HA PHE 36 HA PHE 36 8.979 -13.121 -4.416 285 HB2 PHE 36 2HB PHE 36 11.645 -14.055 -3.397 286 HB3 PHE 36 1HB PHE 36 10.029 -14.483 -2.832 287 HD1 PHE 36 2HD PHE 36 12.373 -14.833 -5.714 288 HD2 PHE 36 1HD PHE 36 8.866 -16.337 -3.742 289 HE1 PHE 36 2HE PHE 36 12.356 -16.790 -7.237 290 HE2 PHE 36 1HE PHE 36 8.849 -18.294 -5.266 291 HZ PHE 36 HZ PHE 36 10.594 -18.521 -7.014 292 H LEU 37 H LEU 37 8.553 -11.275 -3.419 293 HA LEU 37 HA LEU 37 10.703 -9.368 -2.857 294 HB2 LEU 37 2HB LEU 37 8.218 -8.978 -3.829 295 HB3 LEU 37 1HB LEU 37 7.910 -8.750 -2.108 296 HG LEU 37 HG LEU 37 9.764 -7.104 -2.017 297 HD11 LEU 37 1HD1 LEU 37 10.108 -8.090 -4.779 298 HD12 LEU 37 2HD1 LEU 37 11.289 -7.362 -3.690 299 HD13 LEU 37 3HD1 LEU 37 10.191 -6.336 -4.616 300 HD21 LEU 37 3HD2 LEU 37 8.514 -5.551 -3.878 301 HD22 LEU 37 1HD2 LEU 37 7.854 -5.872 -2.275 302 HD23 LEU 37 2HD2 LEU 37 7.311 -6.823 -3.658 303 H ILE 38 H ILE 38 8.007 -10.950 -1.088 304 HA ILE 38 HA ILE 38 9.536 -10.524 1.374 305 HB ILE 38 HB ILE 38 7.039 -9.518 0.875 306 HG12 ILE 38 2HG1 ILE 38 7.066 -9.849 3.612 307 HG13 ILE 38 1HG1 ILE 38 8.778 -9.939 3.209 308 HG21 ILE 38 1HG2 ILE 38 6.763 -11.943 2.624 309 HG22 ILE 38 2HG2 ILE 38 6.194 -11.864 0.972 310 HG23 ILE 38 3HG2 ILE 38 5.480 -10.819 2.183 311 HD11 ILE 38 3HD1 ILE 38 6.874 -7.665 2.841 312 HD12 ILE 38 1HD1 ILE 38 8.161 -7.874 1.646 313 HD13 ILE 38 2HD1 ILE 38 8.563 -7.642 3.354 314 H ARG 39 H ARG 39 9.515 -12.111 2.967 315 HA ARG 39 HA ARG 39 8.553 -14.758 2.094 316 HB2 ARG 39 2HB ARG 39 10.841 -15.208 3.664 317 HB3 ARG 39 1HB ARG 39 10.662 -15.466 1.936 318 HG2 ARG 39 2HG ARG 39 12.597 -13.993 2.519 319 HG3 ARG 39 1HG ARG 39 11.424 -13.237 1.440 320 HD2 ARG 39 2HD ARG 39 11.158 -11.575 2.922 321 HD3 ARG 39 1HD ARG 39 10.552 -12.748 4.087 322 HE ARG 39 HE ARG 39 13.264 -11.666 3.957 323 HH11 ARG 39 1HH2 ARG 39 11.047 -13.997 5.238 324 HH12 ARG 39 2HH2 ARG 39 12.013 -14.353 6.630 325 HH21 ARG 39 1HH1 ARG 39 14.535 -12.130 5.781 326 HH22 ARG 39 2HH1 ARG 39 13.987 -13.297 6.938 327 H GLN 40 H GLN 40 6.928 -15.050 3.432 328 HA GLN 40 HA GLN 40 5.850 -14.361 5.592 329 HB2 GLN 40 2HB GLN 40 6.267 -16.858 6.591 330 HB3 GLN 40 1HB GLN 40 5.123 -16.485 5.300 331 HG2 GLN 40 2HG GLN 40 6.593 -18.351 4.654 332 HG3 GLN 40 1HG GLN 40 6.845 -16.947 3.617 333 HE21 GLN 40 1HE2 GLN 40 8.132 -18.060 6.813 334 HE22 GLN 40 2HE2 GLN 40 9.751 -17.729 6.429 335 H GLY 41 H GLY 41 6.256 -13.530 7.518 336 HA2 GLY 41 2HA GLY 41 7.212 -13.465 9.675 337 HA3 GLY 41 1HA GLY 41 8.538 -14.457 9.092 338 H ASP 42 H ASP 42 7.913 -12.001 6.894 339 HA ASP 42 HA ASP 42 10.388 -10.686 7.522 340 HB2 ASP 42 2HB ASP 42 8.591 -10.785 5.297 341 HB3 ASP 42 1HB ASP 42 8.870 -9.095 5.723 342 H ALA 43 H ALA 43 10.179 -8.104 7.261 343 HA ALA 43 HA ALA 43 8.426 -7.255 9.484 344 HB1 ALA 43 1HB ALA 43 11.214 -6.593 8.689 345 HB2 ALA 43 2HB ALA 43 10.519 -6.784 10.299 346 HB3 ALA 43 3HB ALA 43 10.246 -5.296 9.391 347 H LEU 44 H LEU 44 6.898 -5.781 9.061 348 HA LEU 44 HA LEU 44 6.825 -4.558 6.396 349 HB2 LEU 44 2HB LEU 44 4.862 -5.777 7.720 350 HB3 LEU 44 1HB LEU 44 4.629 -4.141 8.342 351 HG LEU 44 HG LEU 44 4.620 -3.287 6.006 352 HD11 LEU 44 1HD1 LEU 44 5.361 -6.088 5.501 353 HD12 LEU 44 2HD1 LEU 44 5.605 -4.662 4.492 354 HD13 LEU 44 3HD1 LEU 44 4.058 -5.508 4.463 355 HD21 LEU 44 3HD2 LEU 44 2.645 -5.062 7.223 356 HD22 LEU 44 1HD2 LEU 44 2.487 -4.973 5.470 357 HD23 LEU 44 2HD2 LEU 44 2.416 -3.501 6.438 358 H GLN 45 H GLN 45 7.810 -2.654 6.209 359 HA GLN 45 HA GLN 45 7.449 -0.685 8.386 360 HB2 GLN 45 2HB GLN 45 9.888 -0.914 6.613 361 HB3 GLN 45 1HB GLN 45 9.678 0.137 8.014 362 HG2 GLN 45 2HG GLN 45 9.492 -1.825 9.481 363 HG3 GLN 45 1HG GLN 45 9.654 -2.895 8.089 364 HE21 GLN 45 1HE2 GLN 45 11.695 -3.836 8.601 365 HE22 GLN 45 2HE2 GLN 45 13.125 -2.929 8.731 366 H ALA 46 H ALA 46 8.009 -1.163 4.908 367 HA ALA 46 HA ALA 46 6.933 1.543 4.424 368 HB1 ALA 46 1HB ALA 46 8.544 -0.239 2.585 369 HB2 ALA 46 2HB ALA 46 9.187 1.109 3.521 370 HB3 ALA 46 3HB ALA 46 8.017 1.406 2.235 371 H ILE 47 H ILE 47 5.576 1.824 2.527 372 HA ILE 47 HA ILE 47 3.804 -0.503 2.064 373 HB ILE 47 HB ILE 47 2.531 1.185 3.153 374 HG12 ILE 47 2HG1 ILE 47 2.110 1.725 0.205 375 HG13 ILE 47 1HG1 ILE 47 1.597 0.228 0.985 376 HG21 ILE 47 1HG2 ILE 47 2.845 3.457 1.433 377 HG22 ILE 47 2HG2 ILE 47 4.446 2.925 1.946 378 HG23 ILE 47 3HG2 ILE 47 3.223 3.327 3.150 379 HD11 ILE 47 3HD1 ILE 47 0.418 2.923 1.141 380 HD12 ILE 47 1HD1 ILE 47 0.594 2.123 2.702 381 HD13 ILE 47 2HD1 ILE 47 -0.331 1.350 1.415 382 H TYR 48 H TYR 48 3.435 -1.141 -0.033 383 HA TYR 48 HA TYR 48 4.763 0.462 -2.145 384 HB2 TYR 48 2HB TYR 48 4.250 -2.469 -2.512 385 HB3 TYR 48 1HB TYR 48 5.476 -1.448 -3.240 386 HD1 TYR 48 1HD TYR 48 4.546 -2.264 0.351 387 HD2 TYR 48 2HD TYR 48 7.595 -2.091 -2.670 388 HE1 TYR 48 1HE TYR 48 6.217 -3.029 1.997 389 HE2 TYR 48 2HE TYR 48 9.268 -2.860 -1.015 390 HH TYR 48 HH TYR 48 9.621 -3.001 1.309 391 H PHE 49 H PHE 49 3.679 0.953 -3.960 392 HA PHE 49 HA PHE 49 0.929 -0.120 -4.274 393 HB2 PHE 49 2HB PHE 49 1.654 2.555 -3.994 394 HB3 PHE 49 1HB PHE 49 1.500 2.337 -5.738 395 HD1 PHE 49 1HD PHE 49 -0.665 1.423 -6.717 396 HD2 PHE 49 2HD PHE 49 -0.249 2.518 -2.568 397 HE1 PHE 49 1HE PHE 49 -3.129 1.492 -6.476 398 HE2 PHE 49 2HE PHE 49 -2.711 2.576 -2.341 399 HZ PHE 49 HZ PHE 49 -4.155 2.064 -4.292 400 H VAL 50 H VAL 50 0.429 -0.922 -6.306 401 HA VAL 50 HA VAL 50 2.658 -1.114 -8.188 402 HB VAL 50 HB VAL 50 0.624 -2.882 -7.196 403 HG11 VAL 50 1HG1 VAL 50 -0.425 -2.265 -9.318 404 HG12 VAL 50 2HG1 VAL 50 0.036 -3.960 -9.287 405 HG13 VAL 50 3HG1 VAL 50 1.005 -2.789 -10.191 406 HG21 VAL 50 3HG2 VAL 50 2.189 -4.571 -7.968 407 HG22 VAL 50 1HG2 VAL 50 3.096 -3.248 -7.235 408 HG23 VAL 50 2HG2 VAL 50 3.011 -3.391 -8.990 409 H CYS 51 H CYS 51 2.586 -0.134 -10.109 410 HA CYS 51 HA CYS 51 0.126 1.332 -10.773 411 HB2 CYS 51 2HB CYS 51 2.641 2.271 -10.656 412 HB3 CYS 51 1HB CYS 51 2.619 1.745 -12.339 413 HG CYS 51 HG CYS 51 0.856 3.999 -11.144 414 H SER 52 H SER 52 2.137 -1.286 -11.807 415 HA SER 52 HA SER 52 0.244 -2.150 -13.763 416 HB2 SER 52 2HB SER 52 2.112 -0.267 -14.692 417 HB3 SER 52 1HB SER 52 2.694 -1.827 -15.263 418 HG SER 52 HG SER 52 0.130 -0.667 -15.625 419 H GLY 53 H GLY 53 0.520 -4.294 -14.235 420 HA2 GLY 53 2HA GLY 53 2.153 -6.137 -14.621 421 HA3 GLY 53 1HA GLY 53 2.959 -5.586 -13.156 422 H SER 54 H SER 54 2.619 -7.864 -12.448 423 HA SER 54 HA SER 54 0.030 -8.062 -11.058 424 HB2 SER 54 2HB SER 54 1.061 -10.547 -12.357 425 HB3 SER 54 1HB SER 54 -0.587 -10.112 -11.914 426 HG SER 54 HG SER 54 -0.809 -9.059 -13.745 427 H MET 55 H MET 55 0.070 -9.237 -9.134 428 HA MET 55 HA MET 55 2.443 -10.705 -8.359 429 HB2 MET 55 2HB MET 55 2.669 -9.191 -6.258 430 HB3 MET 55 1HB MET 55 3.395 -8.651 -7.772 431 HG2 MET 55 2HG MET 55 2.005 -6.893 -7.943 432 HG3 MET 55 1HG MET 55 0.592 -7.852 -7.501 433 HE1 MET 55 3HE MET 55 3.754 -7.546 -4.631 434 HE2 MET 55 1HE MET 55 3.746 -5.838 -5.093 435 HE3 MET 55 2HE MET 55 3.916 -7.086 -6.324 436 H GLU 56 H GLU 56 2.250 -11.539 -6.090 437 HA GLU 56 HA GLU 56 -0.344 -11.497 -4.835 438 HB2 GLU 56 2HB GLU 56 -0.577 -14.060 -5.164 439 HB3 GLU 56 1HB GLU 56 -1.050 -13.001 -6.493 440 HG2 GLU 56 2HG GLU 56 0.338 -14.854 -7.322 441 HG3 GLU 56 1HG GLU 56 1.161 -13.312 -7.549 442 H VAL 57 H VAL 57 -0.372 -12.657 -2.815 443 HA VAL 57 HA VAL 57 2.316 -13.120 -1.759 444 HB VAL 57 HB VAL 57 1.555 -12.631 0.335 445 HG11 VAL 57 1HG1 VAL 57 -0.253 -11.214 -1.625 446 HG12 VAL 57 2HG1 VAL 57 1.197 -10.601 -0.835 447 HG13 VAL 57 3HG1 VAL 57 -0.279 -10.848 0.098 448 HG21 VAL 57 3HG2 VAL 57 -1.011 -13.818 -0.655 449 HG22 VAL 57 1HG2 VAL 57 -0.999 -12.788 0.766 450 HG23 VAL 57 2HG2 VAL 57 -0.047 -14.264 0.753 451 H LEU 58 H LEU 58 3.037 -15.085 -1.084 452 HA LEU 58 HA LEU 58 1.291 -17.377 -1.682 453 HB2 LEU 58 2HB LEU 58 4.138 -16.796 -2.038 454 HB3 LEU 58 1HB LEU 58 3.820 -18.389 -1.352 455 HG LEU 58 HG LEU 58 2.510 -17.298 -3.859 456 HD11 LEU 58 1HD1 LEU 58 4.025 -18.547 -5.120 457 HD12 LEU 58 2HD1 LEU 58 4.426 -19.608 -3.768 458 HD13 LEU 58 3HD1 LEU 58 5.058 -17.963 -3.814 459 HD21 LEU 58 3HD2 LEU 58 2.229 -20.036 -3.831 460 HD22 LEU 58 1HD2 LEU 58 0.988 -18.899 -3.305 461 HD23 LEU 58 2HD2 LEU 58 2.065 -19.638 -2.121 462 H LYS 59 H LYS 59 0.482 -18.522 -0.085 463 HA LYS 59 HA LYS 59 2.051 -19.255 2.184 464 HB2 LYS 59 2HB LYS 59 1.503 -17.166 3.088 465 HB3 LYS 59 1HB LYS 59 -0.140 -17.237 2.501 466 HG2 LYS 59 2HG LYS 59 -0.139 -17.682 4.903 467 HG3 LYS 59 1HG LYS 59 -0.561 -19.168 4.057 468 HD2 LYS 59 2HD LYS 59 1.077 -19.657 5.799 469 HD3 LYS 59 1HD LYS 59 1.832 -19.885 4.226 470 HE2 LYS 59 2HE LYS 59 3.143 -18.541 6.009 471 HE3 LYS 59 1HE LYS 59 3.051 -17.868 4.378 472 HZ1 LYS 59 3HZ LYS 59 1.347 -17.142 6.704 473 HZ2 LYS 59 1HZ LYS 59 1.107 -16.568 5.128 474 HZ3 LYS 59 2HZ LYS 59 2.527 -16.169 5.966 475 H ASP 60 H ASP 60 1.249 -21.049 3.229 476 HA ASP 60 HA ASP 60 0.036 -22.974 3.487 477 HB2 ASP 60 2HB ASP 60 -2.260 -21.188 2.654 478 HB3 ASP 60 1HB ASP 60 -2.416 -22.777 3.401 479 H ASN 61 H ASN 61 1.351 -22.604 1.011 480 HA ASN 61 HA ASN 61 1.516 -23.666 -1.015 481 HB2 ASN 61 2HB ASN 61 0.202 -25.441 0.499 482 HB3 ASN 61 1HB ASN 61 -1.058 -25.109 -0.688 483 HD21 ASN 61 1HD2 ASN 61 0.839 -24.563 -2.899 484 HD22 ASN 61 2HD2 ASN 61 1.508 -26.063 -3.330 485 H THR 62 H THR 62 -0.990 -21.627 -0.186 486 HA THR 62 HA THR 62 -1.793 -21.390 -3.023 487 HB THR 62 HB THR 62 -3.565 -20.903 -0.638 488 HG1 THR 62 1HG THR 62 -3.911 -22.955 -0.803 489 HG21 THR 62 3HG2 THR 62 -4.168 -20.889 -3.612 490 HG22 THR 62 1HG2 THR 62 -4.007 -19.434 -2.619 491 HG23 THR 62 2HG2 THR 62 -5.323 -20.576 -2.319 492 H VAL 63 H VAL 63 -2.254 -19.290 -3.756 493 HA VAL 63 HA VAL 63 -0.664 -17.277 -2.537 494 HB VAL 63 HB VAL 63 -2.085 -15.851 -4.283 495 HG11 VAL 63 1HG1 VAL 63 0.378 -16.482 -4.305 496 HG12 VAL 63 2HG1 VAL 63 -0.368 -16.330 -5.894 497 HG13 VAL 63 3HG1 VAL 63 -0.081 -17.925 -5.205 498 HG21 VAL 63 3HG2 VAL 63 -3.237 -17.096 -5.838 499 HG22 VAL 63 1HG2 VAL 63 -3.382 -18.198 -4.470 500 HG23 VAL 63 2HG2 VAL 63 -2.141 -18.470 -5.690 501 H LEU 64 H LEU 64 -1.246 -16.244 -0.715 502 HA LEU 64 HA LEU 64 -3.940 -16.358 0.231 503 HB2 LEU 64 2HB LEU 64 -1.433 -15.856 1.372 504 HB3 LEU 64 1HB LEU 64 -2.307 -14.337 1.539 505 HG LEU 64 HG LEU 64 -4.248 -16.105 2.289 506 HD11 LEU 64 1HD1 LEU 64 -2.178 -17.810 2.091 507 HD12 LEU 64 2HD1 LEU 64 -3.409 -17.977 3.344 508 HD13 LEU 64 3HD1 LEU 64 -1.872 -17.197 3.719 509 HD21 LEU 64 3HD2 LEU 64 -3.562 -15.501 4.630 510 HD22 LEU 64 1HD2 LEU 64 -3.640 -14.119 3.538 511 HD23 LEU 64 2HD2 LEU 64 -2.078 -14.817 3.967 512 H ALA 65 H ALA 65 -2.279 -14.318 -1.898 513 HA ALA 65 HA ALA 65 -4.611 -12.557 -1.977 514 HB1 ALA 65 1HB ALA 65 -3.618 -10.754 -1.092 515 HB2 ALA 65 2HB ALA 65 -2.309 -10.881 -2.266 516 HB3 ALA 65 3HB ALA 65 -2.197 -11.733 -0.727 517 H ILE 66 H ILE 66 -5.138 -12.052 -4.000 518 HA ILE 66 HA ILE 66 -3.107 -12.427 -6.104 519 HB ILE 66 HB ILE 66 -5.975 -13.388 -6.095 520 HG12 ILE 66 2HG1 ILE 66 -4.541 -15.512 -6.825 521 HG13 ILE 66 1HG1 ILE 66 -3.260 -14.657 -5.967 522 HG21 ILE 66 1HG2 ILE 66 -4.013 -12.897 -8.311 523 HG22 ILE 66 2HG2 ILE 66 -5.758 -12.641 -8.287 524 HG23 ILE 66 3HG2 ILE 66 -5.109 -14.274 -8.430 525 HD11 ILE 66 3HD1 ILE 66 -5.005 -14.407 -4.056 526 HD12 ILE 66 1HD1 ILE 66 -4.251 -15.986 -4.280 527 HD13 ILE 66 2HD1 ILE 66 -5.881 -15.689 -4.887 528 H LEU 67 H LEU 67 -2.753 -10.332 -6.707 529 HA LEU 67 HA LEU 67 -5.127 -8.753 -7.448 530 HB2 LEU 67 2HB LEU 67 -3.360 -6.841 -6.605 531 HB3 LEU 67 1HB LEU 67 -4.715 -7.459 -5.662 532 HG LEU 67 HG LEU 67 -3.192 -9.258 -4.775 533 HD11 LEU 67 1HD1 LEU 67 -1.608 -8.660 -6.857 534 HD12 LEU 67 2HD1 LEU 67 -0.980 -9.387 -5.378 535 HD13 LEU 67 3HD1 LEU 67 -0.841 -7.648 -5.636 536 HD21 LEU 67 3HD2 LEU 67 -3.445 -6.606 -3.983 537 HD22 LEU 67 1HD2 LEU 67 -1.698 -6.864 -4.001 538 HD23 LEU 67 2HD2 LEU 67 -2.733 -7.905 -3.027 539 H GLY 68 H GLY 68 -4.661 -6.904 -8.845 540 HA2 GLY 68 2HA GLY 68 -2.373 -7.418 -10.650 541 HA3 GLY 68 1HA GLY 68 -3.970 -6.976 -11.243 542 H LYS 69 H LYS 69 -3.113 -5.135 -12.284 543 HA LYS 69 HA LYS 69 -1.490 -3.152 -11.350 544 HB2 LYS 69 2HB LYS 69 -2.564 -3.284 -13.619 545 HB3 LYS 69 1HB LYS 69 -4.027 -2.615 -12.894 546 HG2 LYS 69 2HG LYS 69 -2.976 -0.567 -12.369 547 HG3 LYS 69 1HG LYS 69 -1.362 -1.246 -12.570 548 HD2 LYS 69 2HD LYS 69 -1.801 0.081 -14.527 549 HD3 LYS 69 1HD LYS 69 -1.934 -1.610 -15.015 550 HE2 LYS 69 2HE LYS 69 -4.173 -1.452 -15.404 551 HE3 LYS 69 1HE LYS 69 -4.439 -0.405 -14.011 552 HZ1 LYS 69 3HZ LYS 69 -4.404 0.375 -16.622 553 HZ2 LYS 69 1HZ LYS 69 -2.885 0.863 -16.046 554 HZ3 LYS 69 2HZ LYS 69 -4.299 1.400 -15.271 555 H GLY 70 H GLY 70 -1.595 -1.424 -10.033 556 HA2 GLY 70 2HA GLY 70 -2.516 0.225 -8.681 557 HA3 GLY 70 1HA GLY 70 -4.100 -0.483 -8.922 558 H ASP 71 H ASP 71 -2.434 -3.116 -8.092 559 HA ASP 71 HA ASP 71 -3.545 -3.424 -5.585 560 HB2 ASP 71 2HB ASP 71 -2.364 -5.356 -5.409 561 HB3 ASP 71 1HB ASP 71 -2.114 -5.069 -7.124 562 H LEU 72 H LEU 72 -2.588 -3.429 -3.454 563 HA LEU 72 HA LEU 72 -0.294 -1.651 -3.082 564 HB2 LEU 72 2HB LEU 72 -2.144 -0.112 -3.041 565 HB3 LEU 72 1HB LEU 72 -3.075 -1.174 -1.993 566 HG LEU 72 HG LEU 72 -2.012 0.808 -0.858 567 HD11 LEU 72 1HD1 LEU 72 -0.736 -1.451 0.500 568 HD12 LEU 72 2HD1 LEU 72 -2.401 -1.779 0.019 569 HD13 LEU 72 3HD1 LEU 72 -2.036 -0.399 1.054 570 HD21 LEU 72 3HD2 LEU 72 0.207 0.251 -2.258 571 HD22 LEU 72 1HD2 LEU 72 0.579 -0.630 -0.776 572 HD23 LEU 72 2HD2 LEU 72 0.240 1.097 -0.721 573 H ILE 73 H ILE 73 0.927 -2.195 -1.315 574 HA ILE 73 HA ILE 73 -0.073 -4.435 0.303 575 HB ILE 73 HB ILE 73 1.736 -5.318 -0.854 576 HG12 ILE 73 2HG1 ILE 73 3.629 -5.466 0.667 577 HG13 ILE 73 1HG1 ILE 73 3.121 -4.000 1.500 578 HG21 ILE 73 1HG2 ILE 73 2.575 -2.536 -0.756 579 HG22 ILE 73 2HG2 ILE 73 2.495 -3.652 -2.121 580 HG23 ILE 73 3HG2 ILE 73 3.821 -3.772 -0.955 581 HD11 ILE 73 3HD1 ILE 73 2.419 -6.646 2.146 582 HD12 ILE 73 1HD1 ILE 73 0.965 -5.933 1.452 583 HD13 ILE 73 2HD1 ILE 73 1.744 -5.170 2.835 584 H GLY 74 H GLY 74 -0.214 -4.235 2.414 585 HA2 GLY 74 2HA GLY 74 1.094 -3.432 4.439 586 HA3 GLY 74 1HA GLY 74 0.936 -1.840 3.703 587 H SER 75 H SER 75 -0.091 -2.911 6.290 588 HA SER 75 HA SER 75 -2.961 -3.053 5.976 589 HB2 SER 75 2HB SER 75 -2.870 -2.964 8.530 590 HB3 SER 75 1HB SER 75 -2.095 -4.347 7.760 591 HG SER 75 HG SER 75 -0.175 -2.779 7.813 592 H ASP 76 H ASP 76 -4.446 -1.577 6.971 593 HA ASP 76 HA ASP 76 -3.900 1.149 6.363 594 HB2 ASP 76 2HB ASP 76 -6.138 1.501 7.553 595 HB3 ASP 76 1HB ASP 76 -6.149 0.456 6.134 596 H SER 77 H SER 77 -4.989 2.645 8.351 597 HA SER 77 HA SER 77 -4.583 3.640 10.389 598 HB2 SER 77 2HB SER 77 -4.275 2.282 12.190 599 HB3 SER 77 1HB SER 77 -4.590 1.006 11.017 600 HG SER 77 HG SER 77 -2.679 0.380 11.706 601 H LEU 78 H LEU 78 -2.915 4.128 8.205 602 HA LEU 78 HA LEU 78 -0.168 3.889 8.615 603 HB2 LEU 78 2HB LEU 78 -1.875 5.236 6.816 604 HB3 LEU 78 1HB LEU 78 -0.799 6.464 7.479 605 HG LEU 78 HG LEU 78 1.133 4.903 6.980 606 HD11 LEU 78 1HD1 LEU 78 -1.170 3.313 5.957 607 HD12 LEU 78 2HD1 LEU 78 0.352 2.764 6.658 608 HD13 LEU 78 3HD1 LEU 78 0.299 3.303 4.981 609 HD21 LEU 78 3HD2 LEU 78 -0.497 6.476 5.150 610 HD22 LEU 78 1HD2 LEU 78 0.355 5.188 4.298 611 HD23 LEU 78 2HD2 LEU 78 1.260 6.360 5.256 612 H THR 79 H THR 79 -2.470 5.730 10.363 613 HA THR 79 HA THR 79 -0.683 7.781 11.287 614 HB THR 79 HB THR 79 -3.214 6.932 12.681 615 HG1 THR 79 1HG THR 79 -3.985 7.148 10.697 616 HG21 THR 79 3HG2 THR 79 -2.821 9.751 12.293 617 HG22 THR 79 1HG2 THR 79 -1.346 9.045 12.952 618 HG23 THR 79 2HG2 THR 79 -2.874 8.845 13.806 619 H LYS 80 H LYS 80 -2.266 5.052 12.970 620 HA LYS 80 HA LYS 80 -0.331 5.224 15.135 621 HB2 LYS 80 2HB LYS 80 -1.655 3.377 16.124 622 HB3 LYS 80 1HB LYS 80 -2.668 4.751 15.679 623 HG2 LYS 80 2HG LYS 80 -3.476 3.658 13.724 624 HG3 LYS 80 1HG LYS 80 -2.226 2.416 13.814 625 HD2 LYS 80 2HD LYS 80 -4.146 2.750 16.100 626 HD3 LYS 80 1HD LYS 80 -4.650 1.864 14.660 627 HE2 LYS 80 2HE LYS 80 -3.162 0.144 15.025 628 HE3 LYS 80 1HE LYS 80 -1.986 1.191 15.820 629 HZ1 LYS 80 3HZ LYS 80 -4.421 -0.038 16.935 630 HZ2 LYS 80 1HZ LYS 80 -3.781 1.369 17.632 631 HZ3 LYS 80 2HZ LYS 80 -2.838 -0.042 17.554 632 H GLU 81 H GLU 81 0.540 4.512 12.417 633 HA GLU 81 HA GLU 81 1.058 2.064 11.620 634 HB2 GLU 81 2HB GLU 81 3.521 2.685 11.367 635 HB3 GLU 81 1HB GLU 81 2.354 3.800 10.654 636 HG2 GLU 81 2HG GLU 81 3.181 5.463 11.917 637 HG3 GLU 81 1HG GLU 81 2.722 4.577 13.370 638 H GLN 82 H GLN 82 0.686 0.483 13.196 639 HA GLN 82 HA GLN 82 2.466 0.305 15.491 640 HB2 GLN 82 2HB GLN 82 -0.128 -0.583 14.948 641 HB3 GLN 82 1HB GLN 82 0.852 -2.042 15.015 642 HG2 GLN 82 2HG GLN 82 0.638 0.089 17.139 643 HG3 GLN 82 1HG GLN 82 0.091 -1.583 17.235 644 HE21 GLN 82 1HE2 GLN 82 1.669 -3.231 17.671 645 HE22 GLN 82 2HE2 GLN 82 3.281 -2.866 18.055 646 H VAL 83 H VAL 83 3.427 -1.953 15.916 647 HA VAL 83 HA VAL 83 5.260 -2.514 13.793 648 HB VAL 83 HB VAL 83 6.269 -4.061 15.288 649 HG11 VAL 83 1HG1 VAL 83 4.985 -1.741 16.750 650 HG12 VAL 83 2HG1 VAL 83 6.611 -1.825 16.070 651 HG13 VAL 83 3HG1 VAL 83 6.201 -2.778 17.495 652 HG21 VAL 83 3HG2 VAL 83 4.667 -5.519 16.086 653 HG22 VAL 83 1HG2 VAL 83 3.493 -4.236 16.376 654 HG23 VAL 83 2HG2 VAL 83 4.824 -4.483 17.505 655 H ILE 84 H ILE 84 4.714 -3.612 12.019 656 HA ILE 84 HA ILE 84 2.953 -5.960 12.355 657 HB ILE 84 HB ILE 84 3.071 -4.188 9.906 658 HG12 ILE 84 2HG1 ILE 84 0.680 -4.278 11.687 659 HG13 ILE 84 1HG1 ILE 84 2.062 -3.339 12.253 660 HG21 ILE 84 1HG2 ILE 84 1.032 -6.263 10.755 661 HG22 ILE 84 2HG2 ILE 84 2.375 -6.609 9.664 662 HG23 ILE 84 3HG2 ILE 84 1.137 -5.444 9.196 663 HD11 ILE 84 3HD1 ILE 84 1.303 -2.945 9.410 664 HD12 ILE 84 1HD1 ILE 84 1.836 -1.764 10.609 665 HD13 ILE 84 2HD1 ILE 84 0.163 -2.326 10.606 666 H LYS 85 H LYS 85 3.744 -7.824 11.666 667 HA LYS 85 HA LYS 85 6.180 -7.764 9.998 668 HB2 LYS 85 2HB LYS 85 6.219 -10.249 11.058 669 HB3 LYS 85 1HB LYS 85 7.009 -8.860 11.796 670 HG2 LYS 85 2HG LYS 85 5.440 -8.650 13.448 671 HG3 LYS 85 1HG LYS 85 4.137 -9.245 12.428 672 HD2 LYS 85 2HD LYS 85 4.444 -10.991 13.974 673 HD3 LYS 85 1HD LYS 85 5.345 -11.536 12.564 674 HE2 LYS 85 2HE LYS 85 6.325 -10.731 15.228 675 HE3 LYS 85 1HE LYS 85 7.025 -11.841 14.052 676 HZ1 LYS 85 3HZ LYS 85 7.813 -9.981 12.771 677 HZ2 LYS 85 1HZ LYS 85 8.372 -9.838 14.365 678 HZ3 LYS 85 2HZ LYS 85 7.074 -8.880 13.833 679 H THR 86 H THR 86 6.216 -8.900 8.142 680 HA THR 86 HA THR 86 3.770 -9.746 6.975 681 HB THR 86 HB THR 86 6.561 -10.431 6.041 682 HG1 THR 86 1HG THR 86 5.061 -8.072 5.981 683 HG21 THR 86 3HG2 THR 86 4.709 -9.803 3.967 684 HG22 THR 86 1HG2 THR 86 3.932 -10.960 5.048 685 HG23 THR 86 2HG2 THR 86 5.482 -11.352 4.305 686 H ASN 87 H ASN 87 2.731 -11.606 7.210 687 HA ASN 87 HA ASN 87 4.080 -13.846 8.530 688 HB2 ASN 87 2HB ASN 87 1.927 -13.119 9.437 689 HB3 ASN 87 1HB ASN 87 1.163 -13.389 7.872 690 HD21 ASN 87 1HD2 ASN 87 2.348 -14.967 10.771 691 HD22 ASN 87 2HD2 ASN 87 1.855 -16.535 10.344 692 H ALA 88 H ALA 88 2.695 -12.948 5.448 693 HA ALA 88 HA ALA 88 3.077 -15.690 4.433 694 HB1 ALA 88 1HB ALA 88 1.890 -14.468 2.367 695 HB2 ALA 88 2HB ALA 88 1.312 -13.416 3.660 696 HB3 ALA 88 3HB ALA 88 0.957 -15.147 3.708 697 H ASN 89 H ASN 89 3.521 -15.351 1.843 698 HA ASN 89 HA ASN 89 6.059 -13.822 1.750 699 HB2 ASN 89 2HB ASN 89 6.615 -16.097 1.392 700 HB3 ASN 89 1HB ASN 89 5.176 -16.393 0.423 701 HD21 ASN 89 1HD2 ASN 89 8.506 -15.513 0.265 702 HD22 ASN 89 2HD2 ASN 89 8.544 -15.112 -1.385 703 H VAL 90 H VAL 90 6.581 -13.035 -0.525 704 HA VAL 90 HA VAL 90 4.181 -12.313 -2.029 705 HB VAL 90 HB VAL 90 6.181 -10.574 -0.727 706 HG11 VAL 90 1HG1 VAL 90 6.600 -10.217 -3.066 707 HG12 VAL 90 2HG1 VAL 90 5.762 -8.812 -2.410 708 HG13 VAL 90 3HG1 VAL 90 4.887 -9.992 -3.392 709 HG21 VAL 90 3HG2 VAL 90 3.751 -10.842 -0.017 710 HG22 VAL 90 1HG2 VAL 90 3.308 -10.062 -1.535 711 HG23 VAL 90 2HG2 VAL 90 4.255 -9.182 -0.336 712 H LYS 91 H LYS 91 4.376 -12.647 -4.125 713 HA LYS 91 HA LYS 91 7.051 -12.684 -5.313 714 HB2 LYS 91 2HB LYS 91 6.635 -15.009 -4.796 715 HB3 LYS 91 1HB LYS 91 5.029 -14.920 -5.521 716 HG2 LYS 91 2HG LYS 91 5.936 -14.613 -7.715 717 HG3 LYS 91 1HG LYS 91 7.557 -14.335 -7.078 718 HD2 LYS 91 2HD LYS 91 7.625 -16.578 -7.814 719 HD3 LYS 91 1HD LYS 91 7.353 -16.716 -6.078 720 HE2 LYS 91 2HE LYS 91 4.894 -16.872 -6.527 721 HE3 LYS 91 1HE LYS 91 5.250 -16.893 -8.254 722 HZ1 LYS 91 3HZ LYS 91 6.824 -18.817 -7.595 723 HZ2 LYS 91 1HZ LYS 91 5.162 -19.117 -7.754 724 HZ3 LYS 91 2HZ LYS 91 5.845 -18.920 -6.211 725 H ALA 92 H ALA 92 7.024 -11.345 -6.978 726 HA ALA 92 HA ALA 92 4.610 -10.370 -8.150 727 HB1 ALA 92 1HB ALA 92 6.273 -8.794 -8.374 728 HB2 ALA 92 2HB ALA 92 6.441 -9.595 -9.936 729 HB3 ALA 92 3HB ALA 92 7.534 -10.004 -8.613 730 H LEU 93 H LEU 93 3.383 -11.420 -9.550 731 HA LEU 93 HA LEU 93 4.189 -13.851 -10.811 732 HB2 LEU 93 2HB LEU 93 1.768 -12.362 -10.392 733 HB3 LEU 93 1HB LEU 93 1.885 -12.806 -12.094 734 HG LEU 93 HG LEU 93 2.125 -15.140 -11.543 735 HD11 LEU 93 1HD1 LEU 93 3.353 -15.503 -9.650 736 HD12 LEU 93 2HD1 LEU 93 1.778 -15.488 -8.856 737 HD13 LEU 93 3HD1 LEU 93 2.770 -14.030 -8.876 738 HD21 LEU 93 3HD2 LEU 93 -0.040 -13.638 -10.086 739 HD22 LEU 93 1HD2 LEU 93 0.027 -15.399 -10.011 740 HD23 LEU 93 2HD2 LEU 93 -0.162 -14.589 -11.567 741 H THR 94 H THR 94 3.485 -10.580 -11.988 742 HA THR 94 HA THR 94 5.093 -11.173 -14.395 743 HB THR 94 HB THR 94 3.585 -9.574 -15.612 744 HG1 THR 94 1HG THR 94 1.692 -8.988 -14.639 745 HG21 THR 94 3HG2 THR 94 2.055 -11.900 -14.437 746 HG22 THR 94 1HG2 THR 94 3.351 -12.113 -15.614 747 HG23 THR 94 2HG2 THR 94 1.902 -11.208 -16.052 748 H TYR 95 H TYR 95 6.410 -9.468 -15.129 749 HA TYR 95 HA TYR 95 7.670 -7.899 -13.269 750 HB2 TYR 95 2HB TYR 95 7.522 -6.443 -15.757 751 HB3 TYR 95 1HB TYR 95 8.900 -7.279 -15.036 752 HD1 TYR 95 2HD TYR 95 5.618 -8.194 -16.632 753 HD2 TYR 95 1HD TYR 95 9.830 -8.979 -16.317 754 HE1 TYR 95 2HE TYR 95 5.411 -9.988 -18.331 755 HE2 TYR 95 1HE TYR 95 9.622 -10.772 -18.018 756 HH TYR 95 HH TYR 95 6.784 -12.157 -18.887 757 H CYS 96 H CYS 96 6.951 -6.368 -11.967 758 HA CYS 96 HA CYS 96 4.989 -4.437 -13.013 759 HB2 CYS 96 2HB CYS 96 3.534 -4.689 -11.232 760 HB3 CYS 96 1HB CYS 96 4.083 -6.347 -11.446 761 HG CYS 96 HG CYS 96 5.590 -6.133 -9.389 762 H ASP 97 H ASP 97 5.158 -2.387 -12.253 763 HA ASP 97 HA ASP 97 7.646 -1.745 -10.826 764 HB2 ASP 97 2HB ASP 97 7.018 -0.604 -13.009 765 HB3 ASP 97 1HB ASP 97 5.703 0.171 -12.130 766 H LEU 98 H LEU 98 7.599 -1.151 -8.726 767 HA LEU 98 HA LEU 98 4.985 -0.346 -7.615 768 HB2 LEU 98 2HB LEU 98 7.011 -1.805 -5.958 769 HB3 LEU 98 1HB LEU 98 5.269 -1.683 -5.736 770 HG LEU 98 HG LEU 98 5.181 -2.931 -8.060 771 HD11 LEU 98 1HD1 LEU 98 7.434 -3.059 -8.698 772 HD12 LEU 98 2HD1 LEU 98 7.150 -4.644 -7.985 773 HD13 LEU 98 3HD1 LEU 98 7.983 -3.397 -7.057 774 HD21 LEU 98 3HD2 LEU 98 6.077 -4.588 -5.704 775 HD22 LEU 98 1HD2 LEU 98 4.827 -4.950 -6.893 776 HD23 LEU 98 2HD2 LEU 98 4.540 -3.726 -5.659 777 H GLN 99 H GLN 99 4.931 1.360 -6.280 778 HA GLN 99 HA GLN 99 7.498 2.715 -5.725 779 HB2 GLN 99 2HB GLN 99 6.054 4.095 -7.101 780 HB3 GLN 99 1HB GLN 99 4.692 3.827 -6.011 781 HG2 GLN 99 2HG GLN 99 5.538 5.233 -4.382 782 HG3 GLN 99 1HG GLN 99 7.211 4.954 -4.861 783 HE21 GLN 99 1HE2 GLN 99 7.020 5.549 -7.645 784 HE22 GLN 99 2HE2 GLN 99 6.638 7.194 -7.820 785 H TYR 100 H TYR 100 8.051 3.019 -3.614 786 HA TYR 100 HA TYR 100 5.973 2.761 -1.590 787 HB2 TYR 100 2HB TYR 100 7.034 1.047 -0.338 788 HB3 TYR 100 1HB TYR 100 6.951 0.460 -1.991 789 HD1 TYR 100 2HD TYR 100 9.346 2.518 -2.791 790 HD2 TYR 100 1HD TYR 100 8.806 -0.563 0.148 791 HE1 TYR 100 2HE TYR 100 11.791 2.127 -2.740 792 HE2 TYR 100 1HE TYR 100 11.247 -0.956 0.182 793 HH TYR 100 HH TYR 100 13.195 -0.510 -0.846 794 H ILE 101 H ILE 101 6.798 3.150 0.605 795 HA ILE 101 HA ILE 101 9.194 4.767 0.808 796 HB ILE 101 HB ILE 101 8.181 6.755 0.554 797 HG12 ILE 101 2HG1 ILE 101 7.892 6.508 3.074 798 HG13 ILE 101 1HG1 ILE 101 6.731 7.584 2.298 799 HG21 ILE 101 1HG2 ILE 101 5.700 5.054 0.492 800 HG22 ILE 101 2HG2 ILE 101 6.559 5.748 -0.891 801 HG23 ILE 101 3HG2 ILE 101 5.658 6.796 0.209 802 HD11 ILE 101 3HD1 ILE 101 6.115 5.375 3.908 803 HD12 ILE 101 1HD1 ILE 101 5.792 4.829 2.264 804 HD13 ILE 101 2HD1 ILE 101 4.991 6.267 2.883 805 H SER 102 H SER 102 9.735 5.239 3.043 806 HA SER 102 HA SER 102 8.845 3.121 4.799 807 HB2 SER 102 2HB SER 102 10.527 3.930 6.325 808 HB3 SER 102 1HB SER 102 11.219 3.937 4.706 809 HG SER 102 HG SER 102 9.876 6.232 5.527 810 H LEU 103 H LEU 103 7.220 3.257 6.190 811 HA LEU 103 HA LEU 103 5.388 5.291 6.339 812 HB2 LEU 103 2HB LEU 103 5.719 2.847 7.596 813 HB3 LEU 103 1HB LEU 103 5.748 3.995 8.933 814 HG LEU 103 HG LEU 103 3.441 3.291 8.473 815 HD11 LEU 103 1HD1 LEU 103 4.293 5.837 8.860 816 HD12 LEU 103 2HD1 LEU 103 2.588 5.397 8.751 817 HD13 LEU 103 3HD1 LEU 103 3.426 6.033 7.336 818 HD21 LEU 103 3HD2 LEU 103 4.256 3.223 5.840 819 HD22 LEU 103 1HD2 LEU 103 3.272 4.685 5.885 820 HD23 LEU 103 2HD2 LEU 103 2.578 3.140 6.375 821 H LYS 104 H LYS 104 8.408 4.965 8.126 822 HA LYS 104 HA LYS 104 7.923 7.112 9.942 823 HB2 LYS 104 2HB LYS 104 10.525 7.091 10.026 824 HB3 LYS 104 1HB LYS 104 9.649 5.683 10.629 825 HG2 LYS 104 2HG LYS 104 10.474 4.349 9.003 826 HG3 LYS 104 1HG LYS 104 10.141 5.548 7.755 827 HD2 LYS 104 2HD LYS 104 12.585 5.060 8.013 828 HD3 LYS 104 1HD LYS 104 12.184 6.754 8.299 829 HE2 LYS 104 2HE LYS 104 11.968 5.169 10.736 830 HE3 LYS 104 1HE LYS 104 13.586 5.082 10.040 831 HZ1 LYS 104 3HZ LYS 104 12.194 7.332 11.212 832 HZ2 LYS 104 1HZ LYS 104 13.036 7.684 9.783 833 HZ3 LYS 104 2HZ LYS 104 13.860 7.015 11.109 834 H GLY 105 H GLY 105 9.198 6.825 6.703 835 HA2 GLY 105 2HA GLY 105 10.286 9.444 6.438 836 HA3 GLY 105 1HA GLY 105 9.818 8.368 5.124 837 H LEU 106 H LEU 106 7.162 7.998 5.555 838 HA LEU 106 HA LEU 106 6.070 10.363 4.439 839 HB2 LEU 106 2HB LEU 106 5.275 8.202 3.794 840 HB3 LEU 106 1HB LEU 106 4.714 7.867 5.426 841 HG LEU 106 HG LEU 106 3.732 10.382 4.194 842 HD11 LEU 106 1HD1 LEU 106 3.381 9.163 2.234 843 HD12 LEU 106 2HD1 LEU 106 1.883 8.854 3.109 844 HD13 LEU 106 3HD1 LEU 106 3.165 7.643 3.099 845 HD21 LEU 106 3HD2 LEU 106 2.943 9.698 6.388 846 HD22 LEU 106 1HD2 LEU 106 2.513 8.101 5.780 847 HD23 LEU 106 2HD2 LEU 106 1.611 9.519 5.247 848 H ARG 107 H ARG 107 5.715 8.856 7.633 849 HA ARG 107 HA ARG 107 3.758 10.691 8.452 850 HB2 ARG 107 2HB ARG 107 4.335 8.379 9.480 851 HB3 ARG 107 1HB ARG 107 5.488 9.302 10.415 852 HG2 ARG 107 2HG ARG 107 3.276 8.980 11.560 853 HG3 ARG 107 1HG ARG 107 3.793 10.658 11.403 854 HD2 ARG 107 2HD ARG 107 1.355 10.123 10.792 855 HD3 ARG 107 1HD ARG 107 2.295 11.075 9.648 856 HE ARG 107 HE ARG 107 2.608 8.409 8.906 857 HH11 ARG 107 1HH2 ARG 107 0.073 10.738 9.267 858 HH12 ARG 107 2HH2 ARG 107 -0.914 10.062 8.015 859 HH21 ARG 107 1HH1 ARG 107 1.319 7.519 7.260 860 HH22 ARG 107 2HH1 ARG 107 -0.209 8.241 6.879 861 H GLU 108 H GLU 108 7.202 10.791 8.492 862 HA GLU 108 HA GLU 108 7.513 12.891 10.411 863 HB2 GLU 108 2HB GLU 108 9.441 11.564 10.071 864 HB3 GLU 108 1HB GLU 108 9.322 11.696 8.316 865 HG2 GLU 108 2HG GLU 108 10.281 13.774 8.269 866 HG3 GLU 108 1HG GLU 108 9.566 14.252 9.807 867 H VAL 109 H VAL 109 7.678 12.732 6.887 868 HA VAL 109 HA VAL 109 7.964 15.466 6.355 869 HB VAL 109 HB VAL 109 6.671 14.760 4.171 870 HG11 VAL 109 1HG1 VAL 109 9.023 14.941 4.022 871 HG12 VAL 109 2HG1 VAL 109 8.723 13.248 3.600 872 HG13 VAL 109 3HG1 VAL 109 9.275 13.670 5.217 873 HG21 VAL 109 3HG2 VAL 109 6.692 12.251 5.757 874 HG22 VAL 109 1HG2 VAL 109 7.067 12.152 4.044 875 HG23 VAL 109 2HG2 VAL 109 5.534 12.833 4.578 876 H LEU 110 H LEU 110 5.288 13.413 7.138 877 HA LEU 110 HA LEU 110 3.178 15.287 6.786 878 HB2 LEU 110 2HB LEU 110 3.612 12.658 7.923 879 HB3 LEU 110 1HB LEU 110 2.406 13.556 8.794 880 HG LEU 110 HG LEU 110 1.239 13.996 6.666 881 HD11 LEU 110 1HD1 LEU 110 3.704 13.364 5.571 882 HD12 LEU 110 2HD1 LEU 110 2.238 13.767 4.700 883 HD13 LEU 110 3HD1 LEU 110 2.629 12.079 5.036 884 HD21 LEU 110 3HD2 LEU 110 0.908 11.425 6.074 885 HD22 LEU 110 1HD2 LEU 110 0.321 12.063 7.607 886 HD23 LEU 110 2HD2 LEU 110 1.852 11.202 7.536 887 H ARG 111 H ARG 111 5.485 14.578 9.338 888 HA ARG 111 HA ARG 111 4.315 15.905 11.497 889 HB2 ARG 111 2HB ARG 111 6.540 14.580 11.396 890 HB3 ARG 111 1HB ARG 111 7.264 16.111 10.900 891 HG2 ARG 111 2HG ARG 111 6.638 17.187 12.927 892 HG3 ARG 111 1HG ARG 111 5.526 15.889 13.361 893 HD2 ARG 111 2HD ARG 111 7.311 15.277 14.677 894 HD3 ARG 111 1HD ARG 111 7.764 14.434 13.199 895 HE ARG 111 HE ARG 111 9.464 16.021 12.854 896 HH11 ARG 111 1HH2 ARG 111 7.403 16.828 15.514 897 HH12 ARG 111 2HH2 ARG 111 8.458 18.051 16.141 898 HH21 ARG 111 1HH1 ARG 111 10.854 17.619 13.671 899 HH22 ARG 111 2HH1 ARG 111 10.414 18.498 15.097 900 H LEU 112 H LEU 112 6.093 17.086 8.704 901 HA LEU 112 HA LEU 112 6.298 19.806 9.484 902 HB2 LEU 112 2HB LEU 112 7.188 18.362 7.345 903 HB3 LEU 112 1HB LEU 112 5.846 19.241 6.612 904 HG LEU 112 HG LEU 112 7.954 20.610 8.294 905 HD11 LEU 112 1HD1 LEU 112 8.469 21.334 5.697 906 HD12 LEU 112 2HD1 LEU 112 8.068 19.626 5.518 907 HD13 LEU 112 3HD1 LEU 112 9.377 20.116 6.592 908 HD21 LEU 112 3HD2 LEU 112 5.478 21.400 7.103 909 HD22 LEU 112 1HD2 LEU 112 6.777 22.203 6.221 910 HD23 LEU 112 2HD2 LEU 112 6.637 22.409 7.967 911 H TYR 113 H TYR 113 3.839 17.847 7.935 912 HA TYR 113 HA TYR 113 1.918 20.096 8.200 913 HB2 TYR 113 2HB TYR 113 2.131 17.941 6.095 914 HB3 TYR 113 1HB TYR 113 0.634 18.833 6.369 915 HD1 TYR 113 2HD TYR 113 0.826 21.440 6.419 916 HD2 TYR 113 1HD TYR 113 3.776 18.845 4.682 917 HE1 TYR 113 2HE TYR 113 1.697 23.332 5.072 918 HE2 TYR 113 1HE TYR 113 4.647 20.737 3.335 919 HH TYR 113 HH TYR 113 4.150 22.846 2.591 920 HA PRO 114 HA PRO 114 0.802 16.743 11.173 921 HB2 PRO 114 2HB PRO 114 -0.348 19.004 12.667 922 HB3 PRO 114 1HB PRO 114 0.845 17.799 13.180 923 HG2 PRO 114 2HG PRO 114 1.491 20.362 12.708 924 HG3 PRO 114 1HG PRO 114 2.611 19.022 12.411 925 HD2 PRO 114 2HD PRO 114 0.991 20.595 10.438 926 HD3 PRO 114 1HD PRO 114 2.637 19.940 10.281 927 H GLU 115 H GLU 115 -1.340 19.466 10.203 928 HA GLU 115 HA GLU 115 -3.735 18.080 10.927 929 HB2 GLU 115 2HB GLU 115 -3.600 20.255 8.850 930 HB3 GLU 115 1HB GLU 115 -4.892 19.903 9.996 931 HG2 GLU 115 2HG GLU 115 -3.245 20.476 11.847 932 HG3 GLU 115 1HG GLU 115 -2.173 21.088 10.589 933 H TYR 116 H TYR 116 -2.199 18.782 7.815 934 HA TYR 116 HA TYR 116 -3.971 17.298 6.213 935 HB2 TYR 116 2HB TYR 116 -1.041 17.610 5.601 936 HB3 TYR 116 1HB TYR 116 -2.403 17.587 4.489 937 HD1 TYR 116 1HD TYR 116 -4.066 19.441 6.543 938 HD2 TYR 116 2HD TYR 116 -0.273 19.734 4.541 939 HE1 TYR 116 1HE TYR 116 -4.198 21.910 6.654 940 HE2 TYR 116 2HE TYR 116 -0.410 22.207 4.656 941 HH TYR 116 HH TYR 116 -1.584 23.915 6.143 942 H ALA 117 H ALA 117 -1.160 16.429 8.105 943 HA ALA 117 HA ALA 117 -0.642 13.916 7.052 944 HB1 ALA 117 1HB ALA 117 0.926 14.899 8.551 945 HB2 ALA 117 2HB ALA 117 0.327 13.432 9.331 946 HB3 ALA 117 3HB ALA 117 -0.278 15.011 9.830 947 H GLN 118 H GLN 118 -2.568 14.614 9.974 948 HA GLN 118 HA GLN 118 -3.411 12.014 10.444 949 HB2 GLN 118 2HB GLN 118 -5.377 14.278 10.661 950 HB3 GLN 118 1HB GLN 118 -5.112 12.925 11.755 951 HG2 GLN 118 2HG GLN 118 -3.578 15.476 11.506 952 HG3 GLN 118 1HG GLN 118 -4.098 14.620 12.954 953 HE21 GLN 118 1HE2 GLN 118 -3.068 12.040 12.467 954 HE22 GLN 118 2HE2 GLN 118 -1.374 12.122 12.402 955 H LYS 119 H LYS 119 -4.268 14.344 8.055 956 HA LYS 119 HA LYS 119 -6.544 12.960 6.983 957 HB2 LYS 119 2HB LYS 119 -5.625 15.505 6.766 958 HB3 LYS 119 1HB LYS 119 -5.063 14.824 5.239 959 HG2 LYS 119 2HG LYS 119 -7.231 15.557 4.710 960 HG3 LYS 119 1HG LYS 119 -7.471 13.845 5.059 961 HD2 LYS 119 2HD LYS 119 -7.673 15.057 7.556 962 HD3 LYS 119 1HD LYS 119 -8.497 16.183 6.477 963 HE2 LYS 119 2HE LYS 119 -9.053 13.207 6.668 964 HE3 LYS 119 1HE LYS 119 -10.066 14.484 7.341 965 HZ1 LYS 119 3HZ LYS 119 -9.421 14.840 4.557 966 HZ2 LYS 119 1HZ LYS 119 -10.915 14.964 5.349 967 HZ3 LYS 119 2HZ LYS 119 -10.332 13.441 4.872 968 H PHE 120 H PHE 120 -3.047 12.772 6.498 969 HA PHE 120 HA PHE 120 -2.899 11.831 3.894 970 HB2 PHE 120 2HB PHE 120 -1.171 12.106 6.007 971 HB3 PHE 120 1HB PHE 120 -1.178 10.366 5.745 972 HD1 PHE 120 1HD PHE 120 -0.823 9.512 3.323 973 HD2 PHE 120 2HD PHE 120 0.033 13.534 4.592 974 HE1 PHE 120 1HE PHE 120 0.693 9.820 1.376 975 HE2 PHE 120 2HE PHE 120 1.526 13.835 2.637 976 HZ PHE 120 HZ PHE 120 1.858 11.981 1.037 977 H VAL 121 H VAL 121 -3.187 9.814 6.819 978 HA VAL 121 HA VAL 121 -3.340 7.375 5.456 979 HB VAL 121 HB VAL 121 -3.793 6.420 7.520 980 HG11 VAL 121 1HG1 VAL 121 -1.947 8.406 7.448 981 HG12 VAL 121 2HG1 VAL 121 -2.225 7.401 8.868 982 HG13 VAL 121 3HG1 VAL 121 -2.976 8.992 8.755 983 HG21 VAL 121 3HG2 VAL 121 -5.999 7.345 7.889 984 HG22 VAL 121 1HG2 VAL 121 -5.331 8.956 8.147 985 HG23 VAL 121 2HG2 VAL 121 -5.034 7.680 9.326 986 H SER 122 H SER 122 -5.944 9.480 6.659 987 HA SER 122 HA SER 122 -8.150 7.931 6.114 988 HB2 SER 122 2HB SER 122 -9.294 9.809 6.594 989 HB3 SER 122 1HB SER 122 -7.721 10.567 6.828 990 HG SER 122 HG SER 122 -9.455 11.325 5.134 991 H GLU 123 H GLU 123 -6.107 9.655 3.843 992 HA GLU 123 HA GLU 123 -7.920 9.240 1.617 993 HB2 GLU 123 2HB GLU 123 -5.282 10.555 2.032 994 HB3 GLU 123 1HB GLU 123 -5.651 9.976 0.407 995 HG2 GLU 123 2HG GLU 123 -6.385 12.338 0.796 996 HG3 GLU 123 1HG GLU 123 -7.711 11.263 0.360 997 H ILE 124 H ILE 124 -5.513 7.443 3.229 998 HA ILE 124 HA ILE 124 -4.568 5.926 1.002 999 HB ILE 124 HB ILE 124 -3.761 6.263 3.604 1000 HG12 ILE 124 2HG1 ILE 124 -3.056 4.261 1.460 1001 HG13 ILE 124 1HG1 ILE 124 -2.205 5.739 1.911 1002 HG21 ILE 124 1HG2 ILE 124 -3.865 4.089 4.695 1003 HG22 ILE 124 2HG2 ILE 124 -4.745 3.407 3.329 1004 HG23 ILE 124 3HG2 ILE 124 -5.504 4.629 4.347 1005 HD11 ILE 124 3HD1 ILE 124 -0.887 4.044 2.880 1006 HD12 ILE 124 1HD1 ILE 124 -2.297 3.104 3.368 1007 HD13 ILE 124 2HD1 ILE 124 -1.891 4.593 4.221 1008 H GLN 125 H GLN 125 -7.063 5.384 3.486 1009 HA GLN 125 HA GLN 125 -7.739 2.761 2.984 1010 HB2 GLN 125 2HB GLN 125 -9.496 5.114 3.694 1011 HB3 GLN 125 1HB GLN 125 -10.097 3.460 3.604 1012 HG2 GLN 125 2HG GLN 125 -9.517 3.848 5.884 1013 HG3 GLN 125 1HG GLN 125 -8.294 2.795 5.189 1014 HE21 GLN 125 1HE2 GLN 125 -6.649 3.530 6.731 1015 HE22 GLN 125 2HE2 GLN 125 -5.972 5.082 6.610 1016 H HIS 126 H HIS 126 -8.439 5.593 1.049 1017 HA HIS 126 HA HIS 126 -10.334 4.265 -0.663 1018 HB2 HIS 126 2HB HIS 126 -9.835 6.866 -0.162 1019 HB3 HIS 126 1HB HIS 126 -8.933 6.653 -1.659 1020 HD1 HIS 126 1HD HIS 126 -11.865 8.098 -1.099 1021 HD2 HIS 126 2HD HIS 126 -11.068 4.542 -3.126 1022 HE1 HIS 126 1HE HIS 126 -13.839 7.689 -2.633 1023 HE2 HIS 126 2HE HIS 126 -13.367 5.526 -3.876 1024 H ASP 127 H ASP 127 -6.977 4.209 -0.375 1025 HA ASP 127 HA ASP 127 -6.694 3.225 -3.152 1026 HB2 ASP 127 2HB ASP 127 -4.236 4.036 -1.768 1027 HB3 ASP 127 1HB ASP 127 -4.784 4.404 -3.402 1028 H LEU 128 H LEU 128 -7.318 1.909 -0.437 1029 HA LEU 128 HA LEU 128 -5.000 0.158 -0.116 1030 HB2 LEU 128 2HB LEU 128 -6.356 1.098 1.827 1031 HB3 LEU 128 1HB LEU 128 -7.634 -0.019 1.348 1032 HG LEU 128 HG LEU 128 -5.069 -1.374 1.451 1033 HD11 LEU 128 1HD1 LEU 128 -4.382 0.161 3.148 1034 HD12 LEU 128 2HD1 LEU 128 -4.961 -1.268 4.005 1035 HD13 LEU 128 3HD1 LEU 128 -5.982 0.166 3.889 1036 HD21 LEU 128 3HD2 LEU 128 -7.443 -1.795 3.266 1037 HD22 LEU 128 1HD2 LEU 128 -6.331 -2.999 2.616 1038 HD23 LEU 128 2HD2 LEU 128 -7.518 -2.232 1.560 1039 H THR 129 H THR 129 -4.814 -1.449 -1.552 1040 HA THR 129 HA THR 129 -7.242 -2.758 -2.576 1041 HB THR 129 HB THR 129 -4.365 -3.039 -3.480 1042 HG1 THR 129 1HG THR 129 -5.569 -1.887 -5.332 1043 HG21 THR 129 3HG2 THR 129 -6.957 -4.277 -4.272 1044 HG22 THR 129 1HG2 THR 129 -5.329 -4.954 -4.312 1045 HG23 THR 129 2HG2 THR 129 -5.848 -3.831 -5.569 1046 H TYR 130 H TYR 130 -4.072 -3.583 -1.165 1047 HA TYR 130 HA TYR 130 -5.320 -5.996 -0.016 1048 HB2 TYR 130 2HB TYR 130 -4.125 -7.205 -1.492 1049 HB3 TYR 130 1HB TYR 130 -3.135 -5.825 -1.953 1050 HD1 TYR 130 1HD TYR 130 -3.516 -7.703 1.341 1051 HD2 TYR 130 2HD TYR 130 -0.923 -6.379 -1.833 1052 HE1 TYR 130 1HE TYR 130 -1.576 -8.696 2.495 1053 HE2 TYR 130 2HE TYR 130 1.015 -7.365 -0.649 1054 HH TYR 130 HH TYR 130 1.589 -8.860 0.996 1055 H ASN 131 H ASN 131 -5.246 -5.780 2.082 1056 HA ASN 131 HA ASN 131 -3.134 -4.175 3.321 1057 HB2 ASN 131 2HB ASN 131 -4.943 -3.429 4.438 1058 HB3 ASN 131 1HB ASN 131 -5.929 -4.788 3.912 1059 HD21 ASN 131 1HD2 ASN 131 -4.485 -3.393 6.639 1060 HD22 ASN 131 2HD2 ASN 131 -4.542 -4.743 7.667 1061 H LEU 132 H LEU 132 -1.373 -5.208 3.978 1062 HA LEU 132 HA LEU 132 -1.524 -8.054 4.541 1063 HB2 LEU 132 2HB LEU 132 0.338 -7.135 3.181 1064 HB3 LEU 132 1HB LEU 132 0.846 -6.160 4.550 1065 HG LEU 132 HG LEU 132 1.982 -8.500 4.039 1066 HD11 LEU 132 1HD1 LEU 132 1.448 -6.981 6.484 1067 HD12 LEU 132 2HD1 LEU 132 2.963 -7.658 5.884 1068 HD13 LEU 132 3HD1 LEU 132 1.841 -8.672 6.792 1069 HD21 LEU 132 3HD2 LEU 132 -0.316 -9.316 5.843 1070 HD22 LEU 132 1HD2 LEU 132 0.992 -10.342 5.260 1071 HD23 LEU 132 2HD2 LEU 132 -0.210 -9.726 4.130 1072 H ARG 133 H ARG 133 -2.047 -8.680 6.534 1073 HA ARG 133 HA ARG 133 -1.474 -6.918 8.818 1074 HB2 ARG 133 2HB ARG 133 -3.580 -8.899 8.179 1075 HB3 ARG 133 1HB ARG 133 -3.039 -8.865 9.856 1076 HG2 ARG 133 2HG ARG 133 -3.354 -6.346 9.794 1077 HG3 ARG 133 1HG ARG 133 -4.153 -6.566 8.237 1078 HD2 ARG 133 2HD ARG 133 -5.711 -6.499 10.229 1079 HD3 ARG 133 1HD ARG 133 -5.863 -7.922 9.207 1080 HE ARG 133 HE ARG 133 -4.453 -7.875 11.811 1081 HH11 ARG 133 1HH2 ARG 133 -6.167 -9.512 9.270 1082 HH12 ARG 133 2HH2 ARG 133 -6.255 -11.013 10.124 1083 HH21 ARG 133 1HH1 ARG 133 -4.571 -9.846 12.914 1084 HH22 ARG 133 2HH1 ARG 133 -5.355 -11.203 12.178 1085 H GLU 134 H GLU 134 -0.581 -7.775 10.748 1086 HA GLU 134 HA GLU 134 1.539 -9.641 10.309 1087 HB2 GLU 134 2HB GLU 134 1.827 -9.390 12.830 1088 HB3 GLU 134 1HB GLU 134 1.958 -7.908 11.883 1089 HG2 GLU 134 2HG GLU 134 -0.176 -7.156 12.530 1090 HG3 GLU 134 1HG GLU 134 -0.690 -8.767 13.030 1091 H GLY 135 H GLY 135 1.823 -11.701 11.193 1092 HA2 GLY 135 2HA GLY 135 1.207 -13.798 11.916 1093 HA3 GLY 135 1HA GLY 135 -0.092 -13.023 12.818 Start of MODEL 7 1 H1 MET 1 H MET 1 -2.990 10.848 -15.533 2 HA MET 1 HA MET 1 -0.036 10.806 -15.582 3 HB2 MET 1 2HB MET 1 -1.451 12.321 -13.465 4 HB3 MET 1 1HB MET 1 -0.030 12.763 -14.414 5 HG2 MET 1 2HG MET 1 -1.752 12.859 -16.405 6 HG3 MET 1 1HG MET 1 -2.935 13.050 -15.111 7 HE1 MET 1 3HE MET 1 -3.084 16.596 -14.733 8 HE2 MET 1 1HE MET 1 -3.165 15.251 -13.588 9 HE3 MET 1 2HE MET 1 -3.834 15.074 -15.208 10 H ASN 2 H ASN 2 1.125 9.994 -13.827 11 HA ASN 2 HA ASN 2 -0.276 8.822 -11.570 12 HB2 ASN 2 2HB ASN 2 -0.478 7.059 -13.282 13 HB3 ASN 2 1HB ASN 2 1.272 7.067 -13.492 14 HD21 ASN 2 1HD2 ASN 2 2.556 5.967 -11.918 15 HD22 ASN 2 2HD2 ASN 2 1.884 5.115 -10.613 16 H LYS 3 H LYS 3 2.803 8.994 -13.353 17 HA LYS 3 HA LYS 3 4.982 8.846 -12.473 18 HB2 LYS 3 2HB LYS 3 3.813 11.272 -11.089 19 HB3 LYS 3 1HB LYS 3 5.523 10.978 -11.403 20 HG2 LYS 3 2HG LYS 3 5.123 11.008 -13.814 21 HG3 LYS 3 1HG LYS 3 3.390 11.195 -13.548 22 HD2 LYS 3 2HD LYS 3 3.658 13.379 -12.638 23 HD3 LYS 3 1HD LYS 3 5.399 13.169 -12.450 24 HE2 LYS 3 2HE LYS 3 3.907 13.304 -15.088 25 HE3 LYS 3 1HE LYS 3 4.916 14.579 -14.406 26 HZ1 LYS 3 3HZ LYS 3 6.726 12.810 -14.364 27 HZ2 LYS 3 1HZ LYS 3 6.310 13.463 -15.872 28 HZ3 LYS 3 2HZ LYS 3 5.733 11.929 -15.424 29 H GLU 4 H GLU 4 5.167 10.391 -9.725 30 HA GLU 4 HA GLU 4 5.670 8.129 -8.125 31 HB2 GLU 4 2HB GLU 4 5.018 10.902 -7.109 32 HB3 GLU 4 1HB GLU 4 6.002 9.669 -6.318 33 HG2 GLU 4 2HG GLU 4 7.838 10.159 -7.562 34 HG3 GLU 4 1HG GLU 4 6.898 10.377 -9.037 35 H LEU 5 H LEU 5 4.510 7.211 -6.401 36 HA LEU 5 HA LEU 5 1.704 7.051 -6.784 37 HB2 LEU 5 2HB LEU 5 3.069 5.181 -5.906 38 HB3 LEU 5 1HB LEU 5 3.329 6.096 -4.426 39 HG LEU 5 HG LEU 5 1.436 4.352 -4.406 40 HD11 LEU 5 1HD1 LEU 5 1.690 6.895 -3.211 41 HD12 LEU 5 2HD1 LEU 5 0.817 5.498 -2.595 42 HD13 LEU 5 3HD1 LEU 5 -0.014 6.684 -3.600 43 HD21 LEU 5 3HD2 LEU 5 -0.624 4.860 -5.442 44 HD22 LEU 5 1HD2 LEU 5 0.576 5.195 -6.689 45 HD23 LEU 5 2HD2 LEU 5 -0.145 6.522 -5.776 46 H LEU 6 H LEU 6 3.695 9.059 -4.756 47 HA LEU 6 HA LEU 6 1.893 9.721 -2.745 48 HB2 LEU 6 2HB LEU 6 3.047 12.003 -2.783 49 HB3 LEU 6 1HB LEU 6 4.068 10.589 -2.509 50 HG LEU 6 HG LEU 6 4.492 10.556 -5.016 51 HD11 LEU 6 1HD1 LEU 6 2.759 11.892 -5.913 52 HD12 LEU 6 2HD1 LEU 6 4.184 12.924 -6.022 53 HD13 LEU 6 3HD1 LEU 6 3.015 13.171 -4.726 54 HD21 LEU 6 3HD2 LEU 6 6.377 11.366 -4.004 55 HD22 LEU 6 1HD2 LEU 6 5.470 12.515 -3.021 56 HD23 LEU 6 2HD2 LEU 6 5.850 12.899 -4.700 57 H GLN 7 H GLN 7 0.945 9.697 -5.756 58 HA GLN 7 HA GLN 7 -0.110 12.267 -6.272 59 HB2 GLN 7 2HB GLN 7 0.090 10.161 -7.823 60 HB3 GLN 7 1HB GLN 7 -1.494 9.755 -7.163 61 HG2 GLN 7 2HG GLN 7 -2.095 12.229 -7.749 62 HG3 GLN 7 1HG GLN 7 -0.694 12.139 -8.814 63 HE21 GLN 7 1HE2 GLN 7 -3.582 12.324 -9.597 64 HE22 GLN 7 2HE2 GLN 7 -3.883 10.950 -10.547 65 H LEU 8 H LEU 8 -0.770 9.997 -3.903 66 HA LEU 8 HA LEU 8 -3.565 10.198 -3.588 67 HB2 LEU 8 2HB LEU 8 -1.265 9.411 -1.871 68 HB3 LEU 8 1HB LEU 8 -2.781 9.804 -1.059 69 HG LEU 8 HG LEU 8 -3.979 8.135 -2.304 70 HD11 LEU 8 1HD1 LEU 8 -3.237 8.140 -4.493 71 HD12 LEU 8 2HD1 LEU 8 -2.399 6.703 -3.910 72 HD13 LEU 8 3HD1 LEU 8 -1.539 8.238 -4.027 73 HD21 LEU 8 3HD2 LEU 8 -1.943 7.530 -0.541 74 HD22 LEU 8 1HD2 LEU 8 -1.564 6.496 -1.919 75 HD23 LEU 8 2HD2 LEU 8 -3.139 6.376 -1.133 76 HA PRO 9 HA PRO 9 -4.583 14.214 -2.133 77 HB2 PRO 9 2HB PRO 9 -5.499 12.892 0.384 78 HB3 PRO 9 1HB PRO 9 -6.344 14.048 -0.661 79 HG2 PRO 9 2HG PRO 9 -6.886 11.424 -0.690 80 HG3 PRO 9 1HG PRO 9 -7.008 12.440 -2.135 81 HD2 PRO 9 2HD PRO 9 -5.013 10.355 -1.489 82 HD3 PRO 9 1HD PRO 9 -5.475 11.032 -3.066 83 H LEU 10 H LEU 10 -2.484 12.194 -0.248 84 HA LEU 10 HA LEU 10 -1.946 13.739 1.958 85 HB2 LEU 10 2HB LEU 10 0.559 12.876 1.417 86 HB3 LEU 10 1HB LEU 10 -0.668 11.968 2.291 87 HG LEU 10 HG LEU 10 -1.294 11.384 -0.336 88 HD11 LEU 10 1HD1 LEU 10 0.942 12.701 -0.725 89 HD12 LEU 10 2HD1 LEU 10 0.615 11.211 -1.630 90 HD13 LEU 10 3HD1 LEU 10 1.683 11.171 -0.225 91 HD21 LEU 10 3HD2 LEU 10 -0.570 9.206 0.207 92 HD22 LEU 10 1HD2 LEU 10 -0.938 9.921 1.780 93 HD23 LEU 10 2HD2 LEU 10 0.738 9.807 1.226 94 H PHE 11 H PHE 11 -0.322 14.012 -1.197 95 HA PHE 11 HA PHE 11 0.997 16.386 -0.189 96 HB2 PHE 11 2HB PHE 11 2.527 16.266 -1.906 97 HB3 PHE 11 1HB PHE 11 2.168 14.565 -1.584 98 HD1 PHE 11 1HD PHE 11 -0.217 13.962 -2.713 99 HD2 PHE 11 2HD PHE 11 2.637 16.733 -4.244 100 HE1 PHE 11 1HE PHE 11 -1.175 13.669 -4.993 101 HE2 PHE 11 2HE PHE 11 1.718 16.446 -6.529 102 HZ PHE 11 HZ PHE 11 -0.197 14.910 -6.905 103 H GLU 12 H GLU 12 -1.247 15.451 -2.744 104 HA GLU 12 HA GLU 12 -1.449 17.855 -4.117 105 HB2 GLU 12 2HB GLU 12 -2.532 15.714 -4.802 106 HB3 GLU 12 1HB GLU 12 -3.716 15.944 -3.518 107 HG2 GLU 12 2HG GLU 12 -4.468 16.726 -5.797 108 HG3 GLU 12 1HG GLU 12 -4.561 17.930 -4.518 109 H SER 13 H SER 13 -2.739 16.941 -1.007 110 HA SER 13 HA SER 13 -4.343 19.392 -0.853 111 HB2 SER 13 2HB SER 13 -5.257 17.178 -0.069 112 HB3 SER 13 1HB SER 13 -4.055 17.212 1.219 113 HG SER 13 HG SER 13 -5.319 18.528 2.243 114 H ALA 14 H ALA 14 -1.213 18.431 -0.254 115 HA ALA 14 HA ALA 14 -0.867 20.240 2.046 116 HB1 ALA 14 1HB ALA 14 1.383 18.650 0.925 117 HB2 ALA 14 2HB ALA 14 0.101 17.760 1.757 118 HB3 ALA 14 3HB ALA 14 0.993 19.019 2.609 119 H SER 15 H SER 15 1.250 21.460 1.971 120 HA SER 15 HA SER 15 1.319 23.075 -0.398 121 HB2 SER 15 2HB SER 15 1.882 23.875 1.947 122 HB3 SER 15 1HB SER 15 3.385 22.966 1.815 123 HG SER 15 HG SER 15 3.242 25.325 1.120 124 H ARG 16 H ARG 16 2.938 23.073 -2.005 125 HA ARG 16 HA ARG 16 3.887 20.647 -2.840 126 HB2 ARG 16 2HB ARG 16 4.961 23.431 -3.263 127 HB3 ARG 16 1HB ARG 16 5.768 22.030 -3.969 128 HG2 ARG 16 2HG ARG 16 4.255 22.701 -5.645 129 HG3 ARG 16 1HG ARG 16 3.427 21.370 -4.850 130 HD2 ARG 16 2HD ARG 16 1.937 22.785 -3.738 131 HD3 ARG 16 1HD ARG 16 3.003 24.178 -3.879 132 HE ARG 16 HE ARG 16 1.871 23.087 -6.355 133 HH11 ARG 16 1HH2 ARG 16 1.917 25.493 -3.868 134 HH12 ARG 16 2HH2 ARG 16 1.014 26.654 -4.783 135 HH21 ARG 16 1HH1 ARG 16 0.685 24.605 -7.560 136 HH22 ARG 16 2HH1 ARG 16 0.318 26.151 -6.872 137 H GLY 17 H GLY 17 4.913 22.578 -0.230 138 HA2 GLY 17 2HA GLY 17 7.582 21.771 0.116 139 HA3 GLY 17 1HA GLY 17 6.496 22.279 1.409 140 H CYS 18 H CYS 18 4.496 20.252 1.077 141 HA CYS 18 HA CYS 18 5.744 18.120 2.543 142 HB2 CYS 18 2HB CYS 18 3.127 18.993 2.183 143 HB3 CYS 18 1HB CYS 18 3.164 17.448 1.315 144 HG CYS 18 HG CYS 18 2.692 16.871 3.808 145 H LEU 19 H LEU 19 4.852 18.704 -0.801 146 HA LEU 19 HA LEU 19 5.162 16.017 -1.665 147 HB2 LEU 19 2HB LEU 19 4.073 17.807 -3.022 148 HB3 LEU 19 1HB LEU 19 5.659 18.539 -3.266 149 HG LEU 19 HG LEU 19 6.466 16.592 -4.436 150 HD11 LEU 19 1HD1 LEU 19 3.973 15.333 -3.323 151 HD12 LEU 19 2HD1 LEU 19 5.614 14.691 -3.412 152 HD13 LEU 19 3HD1 LEU 19 4.612 14.745 -4.860 153 HD21 LEU 19 3HD2 LEU 19 4.089 18.031 -5.266 154 HD22 LEU 19 1HD2 LEU 19 4.105 16.409 -5.960 155 HD23 LEU 19 2HD2 LEU 19 5.462 17.500 -6.237 156 H ARG 20 H ARG 20 7.348 18.680 -1.112 157 HA ARG 20 HA ARG 20 9.705 17.456 -2.208 158 HB2 ARG 20 2HB ARG 20 9.330 19.663 -0.164 159 HB3 ARG 20 1HB ARG 20 10.862 19.239 -0.914 160 HG2 ARG 20 2HG ARG 20 8.389 20.090 -2.420 161 HG3 ARG 20 1HG ARG 20 9.756 21.143 -2.044 162 HD2 ARG 20 2HD ARG 20 11.122 19.154 -3.182 163 HD3 ARG 20 1HD ARG 20 9.581 18.887 -3.992 164 HE ARG 20 HE ARG 20 11.364 21.149 -4.366 165 HH11 ARG 20 1HH2 ARG 20 8.179 19.834 -4.685 166 HH12 ARG 20 2HH2 ARG 20 7.696 20.944 -5.923 167 HH21 ARG 20 1HH1 ARG 20 10.738 22.611 -5.984 168 HH22 ARG 20 2HH1 ARG 20 9.145 22.518 -6.659 169 H SER 21 H SER 21 8.206 17.787 0.913 170 HA SER 21 HA SER 21 10.080 16.550 2.603 171 HB2 SER 21 2HB SER 21 8.319 16.558 4.158 172 HB3 SER 21 1HB SER 21 7.958 17.903 3.094 173 HG SER 21 HG SER 21 6.132 16.578 3.400 174 H LEU 22 H LEU 22 7.243 15.149 0.967 175 HA LEU 22 HA LEU 22 7.794 12.485 1.760 176 HB2 LEU 22 2HB LEU 22 5.843 13.826 0.171 177 HB3 LEU 22 1HB LEU 22 6.501 12.488 -0.774 178 HG LEU 22 HG LEU 22 6.180 11.028 1.265 179 HD11 LEU 22 1HD1 LEU 22 5.177 11.814 3.135 180 HD12 LEU 22 2HD1 LEU 22 4.120 12.906 2.249 181 HD13 LEU 22 3HD1 LEU 22 5.790 13.370 2.578 182 HD21 LEU 22 3HD2 LEU 22 4.577 10.584 -0.310 183 HD22 LEU 22 1HD2 LEU 22 4.046 12.269 -0.389 184 HD23 LEU 22 2HD2 LEU 22 3.546 11.255 0.962 185 H SER 23 H SER 23 8.373 14.189 -1.330 186 HA SER 23 HA SER 23 9.666 12.108 -2.591 187 HB2 SER 23 2HB SER 23 9.320 13.631 -4.160 188 HB3 SER 23 1HB SER 23 9.489 14.984 -3.031 189 HG SER 23 HG SER 23 11.205 14.730 -4.650 190 H LEU 24 H LEU 24 10.841 14.287 -0.179 191 HA LEU 24 HA LEU 24 13.602 13.888 -0.490 192 HB2 LEU 24 2HB LEU 24 11.830 14.952 1.515 193 HB3 LEU 24 1HB LEU 24 13.072 13.951 2.266 194 HG LEU 24 HG LEU 24 13.724 16.361 1.955 195 HD11 LEU 24 1HD1 LEU 24 15.201 14.001 1.507 196 HD12 LEU 24 2HD1 LEU 24 15.831 15.579 1.981 197 HD13 LEU 24 3HD1 LEU 24 15.727 15.146 0.274 198 HD21 LEU 24 3HD2 LEU 24 12.727 15.897 -0.640 199 HD22 LEU 24 1HD2 LEU 24 14.467 16.103 -0.821 200 HD23 LEU 24 2HD2 LEU 24 13.505 17.363 -0.048 201 H ILE 25 H ILE 25 11.042 11.954 0.986 202 HA ILE 25 HA ILE 25 13.032 9.805 1.405 203 HB ILE 25 HB ILE 25 11.797 10.732 3.453 204 HG12 ILE 25 2HG1 ILE 25 11.187 7.970 3.698 205 HG13 ILE 25 1HG1 ILE 25 12.543 8.076 2.614 206 HG21 ILE 25 1HG2 ILE 25 9.684 8.802 2.943 207 HG22 ILE 25 2HG2 ILE 25 9.573 10.206 1.867 208 HG23 ILE 25 3HG2 ILE 25 9.552 10.423 3.623 209 HD11 ILE 25 3HD1 ILE 25 13.593 8.012 4.713 210 HD12 ILE 25 1HD1 ILE 25 12.330 8.987 5.470 211 HD13 ILE 25 2HD1 ILE 25 13.512 9.744 4.395 212 H ILE 26 H ILE 26 11.315 10.443 -1.055 213 HA ILE 26 HA ILE 26 9.362 8.435 -1.312 214 HB ILE 26 HB ILE 26 10.734 10.395 -3.002 215 HG12 ILE 26 2HG1 ILE 26 8.346 10.472 -2.093 216 HG13 ILE 26 1HG1 ILE 26 8.535 10.803 -3.817 217 HG21 ILE 26 1HG2 ILE 26 9.874 7.780 -4.098 218 HG22 ILE 26 2HG2 ILE 26 11.406 8.594 -4.359 219 HG23 ILE 26 3HG2 ILE 26 9.928 9.213 -5.104 220 HD11 ILE 26 3HD1 ILE 26 6.863 8.909 -2.717 221 HD12 ILE 26 1HD1 ILE 26 8.253 7.980 -3.275 222 HD13 ILE 26 2HD1 ILE 26 7.371 9.011 -4.404 223 H LYS 27 H LYS 27 9.555 6.284 -1.745 224 HA LYS 27 HA LYS 27 12.232 5.348 -2.628 225 HB2 LYS 27 2HB LYS 27 10.793 4.642 -0.280 226 HB3 LYS 27 1HB LYS 27 10.831 3.230 -1.331 227 HG2 LYS 27 2HG LYS 27 13.220 4.871 -0.436 228 HG3 LYS 27 1HG LYS 27 12.810 3.245 0.110 229 HD2 LYS 27 2HD LYS 27 12.819 2.862 -2.582 230 HD3 LYS 27 1HD LYS 27 14.041 4.127 -2.438 231 HE2 LYS 27 2HE LYS 27 14.024 1.549 -0.839 232 HE3 LYS 27 1HE LYS 27 15.031 1.853 -2.255 233 HZ1 LYS 27 3HZ LYS 27 15.950 3.796 -1.057 234 HZ2 LYS 27 1HZ LYS 27 16.303 2.315 -0.309 235 HZ3 LYS 27 2HZ LYS 27 15.087 3.318 0.325 236 H THR 28 H THR 28 12.319 3.935 -4.315 237 HA THR 28 HA THR 28 9.773 2.888 -5.371 238 HB THR 28 HB THR 28 10.770 3.406 -7.690 239 HG1 THR 28 1HG THR 28 12.048 5.479 -7.340 240 HG21 THR 28 3HG2 THR 28 9.763 5.535 -5.794 241 HG22 THR 28 1HG2 THR 28 8.820 4.576 -6.934 242 HG23 THR 28 2HG2 THR 28 9.942 5.800 -7.528 243 H SER 29 H SER 29 9.867 0.799 -6.016 244 HA SER 29 HA SER 29 12.501 -0.372 -6.607 245 HB2 SER 29 2HB SER 29 12.378 -2.018 -5.014 246 HB3 SER 29 1HB SER 29 11.547 -0.725 -4.147 247 HG SER 29 HG SER 29 10.541 -2.974 -4.453 248 H PHE 30 H PHE 30 12.319 -2.504 -7.649 249 HA PHE 30 HA PHE 30 9.745 -2.915 -9.040 250 HB2 PHE 30 2HB PHE 30 10.864 -3.205 -11.161 251 HB3 PHE 30 1HB PHE 30 11.325 -1.638 -10.494 252 HD1 PHE 30 2HD PHE 30 12.438 -5.200 -10.745 253 HD2 PHE 30 1HD PHE 30 13.588 -1.112 -10.107 254 HE1 PHE 30 2HE PHE 30 14.828 -5.859 -10.833 255 HE2 PHE 30 1HE PHE 30 15.978 -1.770 -10.195 256 HZ PHE 30 HZ PHE 30 16.597 -4.143 -10.558 257 H CYS 31 H CYS 31 9.214 -5.039 -9.502 258 HA CYS 31 HA CYS 31 11.135 -7.091 -8.573 259 HB2 CYS 31 2HB CYS 31 8.117 -7.197 -8.354 260 HB3 CYS 31 1HB CYS 31 9.238 -8.465 -7.860 261 HG CYS 31 HG CYS 31 8.932 -5.715 -6.421 262 H ALA 32 H ALA 32 11.116 -9.087 -9.670 263 HA ALA 32 HA ALA 32 10.293 -8.847 -12.471 264 HB1 ALA 32 1HB ALA 32 12.459 -9.531 -12.604 265 HB2 ALA 32 2HB ALA 32 11.765 -11.131 -12.333 266 HB3 ALA 32 3HB ALA 32 12.436 -10.223 -10.980 267 HA PRO 33 HA PRO 33 7.240 -12.057 -12.236 268 HB2 PRO 33 2HB PRO 33 8.407 -13.659 -14.398 269 HB3 PRO 33 1HB PRO 33 6.910 -12.712 -14.395 270 HG2 PRO 33 2HG PRO 33 9.101 -12.020 -15.818 271 HG3 PRO 33 1HG PRO 33 7.935 -10.845 -15.188 272 HD2 PRO 33 2HD PRO 33 10.650 -11.553 -14.142 273 HD3 PRO 33 1HD PRO 33 9.830 -9.978 -14.188 274 H GLY 34 H GLY 34 6.991 -13.837 -10.938 275 HA2 GLY 34 2HA GLY 34 7.489 -15.786 -9.802 276 HA3 GLY 34 1HA GLY 34 8.787 -16.061 -10.963 277 H GLU 35 H GLU 35 9.126 -12.990 -9.794 278 HA GLU 35 HA GLU 35 11.423 -13.720 -8.203 279 HB2 GLU 35 2HB GLU 35 10.896 -11.632 -9.831 280 HB3 GLU 35 1HB GLU 35 10.569 -10.920 -8.257 281 HG2 GLU 35 2HG GLU 35 12.868 -10.547 -8.536 282 HG3 GLU 35 1HG GLU 35 12.792 -11.992 -7.536 283 H PHE 36 H PHE 36 11.549 -13.871 -6.059 284 HA PHE 36 HA PHE 36 9.157 -13.335 -4.465 285 HB2 PHE 36 2HB PHE 36 11.554 -14.383 -3.123 286 HB3 PHE 36 1HB PHE 36 9.891 -14.965 -3.082 287 HD1 PHE 36 2HD PHE 36 12.933 -14.819 -5.250 288 HD2 PHE 36 1HD PHE 36 9.228 -16.814 -4.385 289 HE1 PHE 36 2HE PHE 36 13.512 -16.601 -6.877 290 HE2 PHE 36 1HE PHE 36 9.808 -18.595 -6.009 291 HZ PHE 36 HZ PHE 36 11.949 -18.489 -7.256 292 H LEU 37 H LEU 37 8.921 -11.371 -3.580 293 HA LEU 37 HA LEU 37 11.307 -9.810 -2.918 294 HB2 LEU 37 2HB LEU 37 10.032 -8.159 -3.725 295 HB3 LEU 37 1HB LEU 37 8.597 -9.173 -3.720 296 HG LEU 37 HG LEU 37 8.309 -8.695 -1.285 297 HD11 LEU 37 1HD1 LEU 37 10.173 -7.979 -0.205 298 HD12 LEU 37 2HD1 LEU 37 9.833 -6.400 -0.906 299 HD13 LEU 37 3HD1 LEU 37 10.951 -7.500 -1.712 300 HD21 LEU 37 3HD2 LEU 37 7.167 -6.756 -1.726 301 HD22 LEU 37 1HD2 LEU 37 7.580 -7.167 -3.391 302 HD23 LEU 37 2HD2 LEU 37 8.556 -5.995 -2.504 303 H ILE 38 H ILE 38 8.307 -10.948 -1.267 304 HA ILE 38 HA ILE 38 9.776 -10.600 1.242 305 HB ILE 38 HB ILE 38 7.345 -9.453 0.615 306 HG12 ILE 38 2HG1 ILE 38 7.365 -9.571 3.368 307 HG13 ILE 38 1HG1 ILE 38 9.063 -9.788 2.974 308 HG21 ILE 38 1HG2 ILE 38 6.947 -11.753 2.519 309 HG22 ILE 38 2HG2 ILE 38 6.289 -11.686 0.895 310 HG23 ILE 38 3HG2 ILE 38 5.740 -10.542 2.105 311 HD11 ILE 38 3HD1 ILE 38 7.291 -7.444 2.433 312 HD12 ILE 38 1HD1 ILE 38 8.567 -7.809 1.267 313 HD13 ILE 38 2HD1 ILE 38 8.977 -7.477 2.954 314 H ARG 39 H ARG 39 9.616 -12.130 2.874 315 HA ARG 39 HA ARG 39 8.491 -14.727 2.049 316 HB2 ARG 39 2HB ARG 39 10.744 -15.292 3.633 317 HB3 ARG 39 1HB ARG 39 10.547 -15.573 1.911 318 HG2 ARG 39 2HG ARG 39 12.565 -14.217 2.416 319 HG3 ARG 39 1HG ARG 39 11.409 -13.372 1.387 320 HD2 ARG 39 2HD ARG 39 11.395 -11.703 2.895 321 HD3 ARG 39 1HD ARG 39 10.605 -12.814 4.008 322 HE ARG 39 HE ARG 39 13.452 -12.120 3.974 323 HH11 ARG 39 1HH2 ARG 39 10.841 -14.027 5.211 324 HH12 ARG 39 2HH2 ARG 39 11.695 -14.520 6.636 325 HH21 ARG 39 1HH1 ARG 39 14.575 -12.762 5.843 326 HH22 ARG 39 2HH1 ARG 39 13.807 -13.805 6.993 327 H GLN 40 H GLN 40 6.849 -14.927 3.394 328 HA GLN 40 HA GLN 40 5.813 -14.146 5.549 329 HB2 GLN 40 2HB GLN 40 5.097 -16.297 4.997 330 HB3 GLN 40 1HB GLN 40 6.710 -16.984 5.169 331 HG2 GLN 40 2HG GLN 40 5.618 -15.732 7.621 332 HG3 GLN 40 1HG GLN 40 4.768 -17.170 7.070 333 HE21 GLN 40 1HE2 GLN 40 8.166 -16.897 6.276 334 HE22 GLN 40 2HE2 GLN 40 8.717 -18.040 7.403 335 H GLY 41 H GLY 41 6.270 -13.321 7.471 336 HA2 GLY 41 2HA GLY 41 7.261 -13.309 9.621 337 HA3 GLY 41 1HA GLY 41 8.550 -14.334 9.004 338 H ASP 42 H ASP 42 7.908 -11.867 6.827 339 HA ASP 42 HA ASP 42 10.430 -10.597 7.409 340 HB2 ASP 42 2HB ASP 42 8.524 -10.626 5.213 341 HB3 ASP 42 1HB ASP 42 9.113 -8.997 5.552 342 H ALA 43 H ALA 43 10.286 -8.027 7.078 343 HA ALA 43 HA ALA 43 8.464 -7.064 9.198 344 HB1 ALA 43 1HB ALA 43 11.343 -6.642 8.681 345 HB2 ALA 43 2HB ALA 43 10.456 -6.623 10.205 346 HB3 ALA 43 3HB ALA 43 10.436 -5.206 9.155 347 H LEU 44 H LEU 44 7.160 -5.393 8.745 348 HA LEU 44 HA LEU 44 7.164 -4.316 6.029 349 HB2 LEU 44 2HB LEU 44 5.074 -5.139 7.198 350 HB3 LEU 44 1HB LEU 44 5.202 -3.719 8.237 351 HG LEU 44 HG LEU 44 5.560 -2.833 5.556 352 HD11 LEU 44 1HD1 LEU 44 4.412 -5.027 5.013 353 HD12 LEU 44 2HD1 LEU 44 3.572 -3.585 4.440 354 HD13 LEU 44 3HD1 LEU 44 3.005 -4.422 5.886 355 HD21 LEU 44 3HD2 LEU 44 3.240 -2.589 7.489 356 HD22 LEU 44 1HD2 LEU 44 3.481 -1.575 6.067 357 HD23 LEU 44 2HD2 LEU 44 4.637 -1.518 7.398 358 H GLN 45 H GLN 45 8.258 -2.526 5.585 359 HA GLN 45 HA GLN 45 8.566 -0.499 7.719 360 HB2 GLN 45 2HB GLN 45 10.440 -1.109 5.420 361 HB3 GLN 45 1HB GLN 45 10.681 0.136 6.647 362 HG2 GLN 45 2HG GLN 45 11.304 -1.369 8.241 363 HG3 GLN 45 1HG GLN 45 10.135 -2.573 7.700 364 HE21 GLN 45 1HE2 GLN 45 13.462 -1.652 7.570 365 HE22 GLN 45 2HE2 GLN 45 13.960 -2.817 6.439 366 H ALA 46 H ALA 46 8.102 -1.042 4.249 367 HA ALA 46 HA ALA 46 7.043 1.716 4.044 368 HB1 ALA 46 1HB ALA 46 8.303 0.175 1.766 369 HB2 ALA 46 2HB ALA 46 9.243 1.239 2.808 370 HB3 ALA 46 3HB ALA 46 7.931 1.890 1.830 371 H ILE 47 H ILE 47 5.227 2.025 2.707 372 HA ILE 47 HA ILE 47 3.521 -0.336 2.426 373 HB ILE 47 HB ILE 47 2.323 1.505 3.305 374 HG12 ILE 47 2HG1 ILE 47 1.596 2.048 0.474 375 HG13 ILE 47 1HG1 ILE 47 1.535 0.360 0.979 376 HG21 ILE 47 1HG2 ILE 47 3.522 3.188 1.085 377 HG22 ILE 47 2HG2 ILE 47 4.018 3.226 2.777 378 HG23 ILE 47 3HG2 ILE 47 2.399 3.759 2.322 379 HD11 ILE 47 3HD1 ILE 47 -0.567 1.935 1.314 380 HD12 ILE 47 1HD1 ILE 47 0.308 2.428 2.764 381 HD13 ILE 47 2HD1 ILE 47 -0.141 0.738 2.536 382 H TYR 48 H TYR 48 2.683 -1.056 0.387 383 HA TYR 48 HA TYR 48 4.326 -0.109 -1.886 384 HB2 TYR 48 2HB TYR 48 2.996 -2.794 -1.658 385 HB3 TYR 48 1HB TYR 48 4.160 -2.283 -2.863 386 HD1 TYR 48 1HD TYR 48 3.984 -2.344 0.929 387 HD2 TYR 48 2HD TYR 48 6.284 -3.104 -2.619 388 HE1 TYR 48 1HE TYR 48 5.859 -3.154 2.319 389 HE2 TYR 48 2HE TYR 48 8.163 -3.911 -1.220 390 HH TYR 48 HH TYR 48 8.913 -4.241 0.835 391 H PHE 49 H PHE 49 3.555 -0.066 -3.927 392 HA PHE 49 HA PHE 49 0.661 -0.181 -4.424 393 HB2 PHE 49 2HB PHE 49 1.900 2.266 -4.005 394 HB3 PHE 49 1HB PHE 49 1.990 2.066 -5.753 395 HD1 PHE 49 1HD PHE 49 -0.297 1.243 -6.933 396 HD2 PHE 49 2HD PHE 49 -0.013 3.172 -3.087 397 HE1 PHE 49 1HE PHE 49 -2.656 1.967 -7.108 398 HE2 PHE 49 2HE PHE 49 -2.377 3.876 -3.273 399 HZ PHE 49 HZ PHE 49 -3.701 3.275 -5.280 400 H VAL 50 H VAL 50 0.308 -1.010 -6.475 401 HA VAL 50 HA VAL 50 2.696 -1.534 -8.077 402 HB VAL 50 HB VAL 50 0.338 -3.000 -7.334 403 HG11 VAL 50 1HG1 VAL 50 -0.358 -2.291 -9.556 404 HG12 VAL 50 2HG1 VAL 50 -0.103 -4.030 -9.497 405 HG13 VAL 50 3HG1 VAL 50 1.096 -2.977 -10.259 406 HG21 VAL 50 3HG2 VAL 50 1.785 -4.895 -8.148 407 HG22 VAL 50 1HG2 VAL 50 2.569 -3.848 -6.964 408 HG23 VAL 50 2HG2 VAL 50 2.964 -3.694 -8.677 409 H CYS 51 H CYS 51 2.992 -0.518 -9.962 410 HA CYS 51 HA CYS 51 0.904 1.329 -10.847 411 HB2 CYS 51 2HB CYS 51 3.567 1.069 -12.198 412 HB3 CYS 51 1HB CYS 51 2.576 2.506 -11.945 413 HG CYS 51 HG CYS 51 3.349 2.597 -9.481 414 H SER 52 H SER 52 2.647 -1.524 -11.925 415 HA SER 52 HA SER 52 0.585 -2.269 -13.749 416 HB2 SER 52 2HB SER 52 1.279 -1.296 -15.647 417 HB3 SER 52 1HB SER 52 2.589 -0.510 -14.770 418 HG SER 52 HG SER 52 3.770 -1.774 -15.984 419 H GLY 53 H GLY 53 0.784 -4.409 -14.348 420 HA2 GLY 53 2HA GLY 53 2.333 -6.303 -14.814 421 HA3 GLY 53 1HA GLY 53 3.203 -5.809 -13.365 422 H SER 54 H SER 54 2.837 -8.018 -12.579 423 HA SER 54 HA SER 54 0.269 -8.175 -11.162 424 HB2 SER 54 2HB SER 54 1.015 -10.773 -12.271 425 HB3 SER 54 1HB SER 54 -0.554 -9.972 -12.233 426 HG SER 54 HG SER 54 1.491 -9.053 -13.938 427 H MET 55 H MET 55 0.368 -9.215 -9.209 428 HA MET 55 HA MET 55 2.650 -10.866 -8.520 429 HB2 MET 55 2HB MET 55 3.614 -8.663 -8.141 430 HB3 MET 55 1HB MET 55 2.229 -8.200 -7.157 431 HG2 MET 55 2HG MET 55 3.767 -10.664 -6.418 432 HG3 MET 55 1HG MET 55 4.429 -9.085 -6.001 433 HE1 MET 55 3HE MET 55 3.424 -7.369 -4.937 434 HE2 MET 55 1HE MET 55 3.806 -8.189 -3.417 435 HE3 MET 55 2HE MET 55 2.226 -7.444 -3.647 436 H GLU 56 H GLU 56 2.471 -11.686 -6.258 437 HA GLU 56 HA GLU 56 -0.063 -11.421 -4.914 438 HB2 GLU 56 2HB GLU 56 -0.518 -13.950 -5.179 439 HB3 GLU 56 1HB GLU 56 -0.919 -12.897 -6.538 440 HG2 GLU 56 2HG GLU 56 0.315 -14.944 -7.251 441 HG3 GLU 56 1HG GLU 56 1.174 -13.464 -7.669 442 H VAL 57 H VAL 57 -0.112 -12.557 -2.895 443 HA VAL 57 HA VAL 57 2.569 -13.172 -1.907 444 HB VAL 57 HB VAL 57 1.954 -12.364 0.095 445 HG11 VAL 57 1HG1 VAL 57 1.248 -10.539 -1.260 446 HG12 VAL 57 2HG1 VAL 57 -0.023 -10.769 -0.060 447 HG13 VAL 57 3HG1 VAL 57 -0.249 -11.353 -1.707 448 HG21 VAL 57 3HG2 VAL 57 -0.766 -13.610 -0.365 449 HG22 VAL 57 1HG2 VAL 57 -0.258 -12.788 1.104 450 HG23 VAL 57 2HG2 VAL 57 0.545 -14.271 0.614 451 H LEU 58 H LEU 58 3.202 -15.185 -1.379 452 HA LEU 58 HA LEU 58 1.221 -17.332 -1.728 453 HB2 LEU 58 2HB LEU 58 3.514 -17.036 -3.043 454 HB3 LEU 58 1HB LEU 58 4.133 -17.907 -1.637 455 HG LEU 58 HG LEU 58 3.504 -19.528 -3.335 456 HD11 LEU 58 1HD1 LEU 58 2.870 -19.797 -0.812 457 HD12 LEU 58 2HD1 LEU 58 2.198 -20.931 -1.984 458 HD13 LEU 58 3HD1 LEU 58 1.214 -19.596 -1.383 459 HD21 LEU 58 3HD2 LEU 58 1.663 -17.716 -4.151 460 HD22 LEU 58 1HD2 LEU 58 0.622 -18.806 -3.238 461 HD23 LEU 58 2HD2 LEU 58 1.581 -19.423 -4.582 462 H LYS 59 H LYS 59 0.556 -18.474 -0.092 463 HA LYS 59 HA LYS 59 2.293 -19.362 1.991 464 HB2 LYS 59 2HB LYS 59 0.931 -16.914 2.448 465 HB3 LYS 59 1HB LYS 59 0.152 -18.134 3.443 466 HG2 LYS 59 2HG LYS 59 3.087 -17.426 3.407 467 HG3 LYS 59 1HG LYS 59 1.946 -17.206 4.732 468 HD2 LYS 59 2HD LYS 59 2.485 -19.238 5.499 469 HD3 LYS 59 1HD LYS 59 1.808 -19.937 4.036 470 HE2 LYS 59 2HE LYS 59 3.969 -20.747 3.879 471 HE3 LYS 59 1HE LYS 59 4.185 -19.217 3.029 472 HZ1 LYS 59 3HZ LYS 59 4.463 -18.628 5.702 473 HZ2 LYS 59 1HZ LYS 59 5.703 -18.723 4.547 474 HZ3 LYS 59 2HZ LYS 59 5.314 -20.084 5.488 475 H ASP 60 H ASP 60 1.469 -21.169 3.017 476 HA ASP 60 HA ASP 60 0.145 -23.017 3.302 477 HB2 ASP 60 2HB ASP 60 -2.020 -20.973 2.790 478 HB3 ASP 60 1HB ASP 60 -2.327 -22.628 3.314 479 H ASN 61 H ASN 61 1.299 -22.668 0.765 480 HA ASN 61 HA ASN 61 1.260 -23.685 -1.287 481 HB2 ASN 61 2HB ASN 61 -0.036 -25.418 0.213 482 HB3 ASN 61 1HB ASN 61 -1.415 -24.899 -0.756 483 HD21 ASN 61 1HD2 ASN 61 0.215 -24.366 -3.181 484 HD22 ASN 61 2HD2 ASN 61 0.657 -25.885 -3.792 485 H THR 62 H THR 62 -1.270 -21.623 -0.276 486 HA THR 62 HA THR 62 -2.029 -21.206 -3.106 487 HB THR 62 HB THR 62 -3.756 -20.677 -0.701 488 HG1 THR 62 1HG THR 62 -3.346 -22.884 -2.284 489 HG21 THR 62 3HG2 THR 62 -4.334 -20.595 -3.676 490 HG22 THR 62 1HG2 THR 62 -4.186 -19.174 -2.632 491 HG23 THR 62 2HG2 THR 62 -5.515 -20.318 -2.399 492 H VAL 63 H VAL 63 -2.501 -19.059 -3.732 493 HA VAL 63 HA VAL 63 -0.729 -17.144 -2.607 494 HB VAL 63 HB VAL 63 -2.224 -15.640 -4.215 495 HG11 VAL 63 1HG1 VAL 63 -0.308 -17.808 -5.121 496 HG12 VAL 63 2HG1 VAL 63 0.136 -16.190 -4.584 497 HG13 VAL 63 3HG1 VAL 63 -0.772 -16.404 -6.079 498 HG21 VAL 63 3HG2 VAL 63 -3.513 -16.839 -5.734 499 HG22 VAL 63 1HG2 VAL 63 -3.703 -17.835 -4.291 500 HG23 VAL 63 2HG2 VAL 63 -2.550 -18.304 -5.537 501 H LEU 64 H LEU 64 -1.102 -16.050 -0.767 502 HA LEU 64 HA LEU 64 -3.686 -16.087 0.465 503 HB2 LEU 64 2HB LEU 64 -1.035 -15.550 1.284 504 HB3 LEU 64 1HB LEU 64 -1.951 -14.084 1.602 505 HG LEU 64 HG LEU 64 -3.731 -15.747 2.603 506 HD11 LEU 64 1HD1 LEU 64 -3.064 -17.908 2.519 507 HD12 LEU 64 2HD1 LEU 64 -1.905 -17.487 3.780 508 HD13 LEU 64 3HD1 LEU 64 -1.413 -17.465 2.088 509 HD21 LEU 64 3HD2 LEU 64 -1.159 -15.308 4.133 510 HD22 LEU 64 1HD2 LEU 64 -2.803 -15.361 4.771 511 HD23 LEU 64 2HD2 LEU 64 -2.285 -13.999 3.778 512 H ALA 65 H ALA 65 -2.077 -14.034 -1.755 513 HA ALA 65 HA ALA 65 -4.432 -12.320 -1.813 514 HB1 ALA 65 1HB ALA 65 -3.529 -10.549 -0.803 515 HB2 ALA 65 2HB ALA 65 -2.228 -10.532 -1.991 516 HB3 ALA 65 3HB ALA 65 -2.051 -11.460 -0.500 517 H ILE 66 H ILE 66 -4.919 -11.742 -3.812 518 HA ILE 66 HA ILE 66 -2.871 -12.118 -5.901 519 HB ILE 66 HB ILE 66 -5.810 -12.835 -5.963 520 HG12 ILE 66 2HG1 ILE 66 -4.547 -15.061 -6.710 521 HG13 ILE 66 1HG1 ILE 66 -3.218 -14.337 -5.804 522 HG21 ILE 66 1HG2 ILE 66 -5.426 -13.502 -8.288 523 HG22 ILE 66 2HG2 ILE 66 -3.743 -12.983 -8.180 524 HG23 ILE 66 3HG2 ILE 66 -5.041 -11.792 -8.091 525 HD11 ILE 66 3HD1 ILE 66 -4.955 -13.983 -3.918 526 HD12 ILE 66 1HD1 ILE 66 -4.374 -15.626 -4.182 527 HD13 ILE 66 2HD1 ILE 66 -5.952 -15.134 -4.801 528 H LEU 67 H LEU 67 -2.356 -10.051 -6.508 529 HA LEU 67 HA LEU 67 -4.614 -8.246 -7.094 530 HB2 LEU 67 2HB LEU 67 -2.594 -6.532 -6.402 531 HB3 LEU 67 1HB LEU 67 -3.931 -7.002 -5.354 532 HG LEU 67 HG LEU 67 -2.526 -8.945 -4.576 533 HD11 LEU 67 1HD1 LEU 67 -1.051 -8.450 -6.787 534 HD12 LEU 67 2HD1 LEU 67 -0.410 -9.297 -5.377 535 HD13 LEU 67 3HD1 LEU 67 -0.095 -7.575 -5.593 536 HD21 LEU 67 3HD2 LEU 67 -1.243 -6.221 -4.198 537 HD22 LEU 67 1HD2 LEU 67 -1.139 -7.594 -3.096 538 HD23 LEU 67 2HD2 LEU 67 -2.680 -6.770 -3.336 539 H GLY 68 H GLY 68 -4.092 -6.446 -8.517 540 HA2 GLY 68 2HA GLY 68 -1.920 -7.053 -10.420 541 HA3 GLY 68 1HA GLY 68 -3.553 -6.723 -10.986 542 H LYS 69 H LYS 69 -2.809 -4.955 -12.179 543 HA LYS 69 HA LYS 69 -1.259 -2.832 -11.441 544 HB2 LYS 69 2HB LYS 69 -3.733 -2.521 -13.115 545 HB3 LYS 69 1HB LYS 69 -2.189 -1.695 -13.262 546 HG2 LYS 69 2HG LYS 69 -1.519 -3.269 -14.722 547 HG3 LYS 69 1HG LYS 69 -1.618 -4.460 -13.426 548 HD2 LYS 69 2HD LYS 69 -3.055 -5.312 -15.102 549 HD3 LYS 69 1HD LYS 69 -4.147 -4.542 -13.950 550 HE2 LYS 69 2HE LYS 69 -3.962 -2.441 -15.396 551 HE3 LYS 69 1HE LYS 69 -3.195 -3.465 -16.610 552 HZ1 LYS 69 3HZ LYS 69 -5.502 -3.398 -17.085 553 HZ2 LYS 69 1HZ LYS 69 -5.921 -3.749 -15.480 554 HZ3 LYS 69 2HZ LYS 69 -5.179 -4.937 -16.440 555 H GLY 70 H GLY 70 -1.402 -1.177 -10.097 556 HA2 GLY 70 2HA GLY 70 -2.327 0.629 -8.983 557 HA3 GLY 70 1HA GLY 70 -3.918 0.085 -9.459 558 H ASP 71 H ASP 71 -2.949 -2.665 -8.274 559 HA ASP 71 HA ASP 71 -4.400 -2.609 -5.938 560 HB2 ASP 71 2HB ASP 71 -3.426 -4.670 -5.376 561 HB3 ASP 71 1HB ASP 71 -3.341 -4.613 -7.137 562 H LEU 72 H LEU 72 -3.458 -3.002 -3.683 563 HA LEU 72 HA LEU 72 -1.101 -1.358 -3.123 564 HB2 LEU 72 2HB LEU 72 -3.018 0.195 -2.995 565 HB3 LEU 72 1HB LEU 72 -3.791 -0.867 -1.820 566 HG LEU 72 HG LEU 72 -1.531 -0.605 -0.507 567 HD11 LEU 72 1HD1 LEU 72 -0.603 0.679 -2.558 568 HD12 LEU 72 2HD1 LEU 72 -0.261 1.312 -0.947 569 HD13 LEU 72 3HD1 LEU 72 -1.535 2.038 -1.925 570 HD21 LEU 72 3HD2 LEU 72 -3.872 1.232 -0.727 571 HD22 LEU 72 1HD2 LEU 72 -2.507 1.769 0.252 572 HD23 LEU 72 2HD2 LEU 72 -3.333 0.262 0.643 573 H ILE 73 H ILE 73 -0.062 -1.867 -1.210 574 HA ILE 73 HA ILE 73 -1.176 -4.151 0.270 575 HB ILE 73 HB ILE 73 0.739 -5.354 0.112 576 HG12 ILE 73 2HG1 ILE 73 3.007 -4.171 -0.079 577 HG13 ILE 73 1HG1 ILE 73 2.100 -2.697 0.292 578 HG21 ILE 73 1HG2 ILE 73 0.853 -3.392 -2.118 579 HG22 ILE 73 2HG2 ILE 73 0.324 -5.070 -2.176 580 HG23 ILE 73 3HG2 ILE 73 2.040 -4.690 -2.007 581 HD11 ILE 73 3HD1 ILE 73 3.108 -4.592 2.127 582 HD12 ILE 73 1HD1 ILE 73 1.359 -4.814 2.117 583 HD13 ILE 73 2HD1 ILE 73 2.045 -3.231 2.481 584 H GLY 74 H GLY 74 -0.650 -4.292 2.406 585 HA2 GLY 74 2HA GLY 74 0.637 -3.379 4.331 586 HA3 GLY 74 1HA GLY 74 0.271 -1.783 3.681 587 H SER 75 H SER 75 -0.389 -2.927 6.319 588 HA SER 75 HA SER 75 -3.230 -3.435 6.316 589 HB2 SER 75 2HB SER 75 -2.430 -2.697 8.910 590 HB3 SER 75 1HB SER 75 -2.650 -4.332 8.289 591 HG SER 75 HG SER 75 -0.576 -4.485 8.594 592 H ASP 76 H ASP 76 -4.852 -2.013 6.553 593 HA ASP 76 HA ASP 76 -4.479 0.737 6.144 594 HB2 ASP 76 2HB ASP 76 -6.840 0.968 6.639 595 HB3 ASP 76 1HB ASP 76 -6.597 -0.507 5.707 596 H SER 77 H SER 77 -5.922 2.145 7.939 597 HA SER 77 HA SER 77 -5.778 3.254 9.946 598 HB2 SER 77 2HB SER 77 -6.425 0.940 10.779 599 HB3 SER 77 1HB SER 77 -4.713 0.672 11.094 600 HG SER 77 HG SER 77 -5.418 1.532 12.947 601 H LEU 78 H LEU 78 -3.639 3.527 8.174 602 HA LEU 78 HA LEU 78 -1.078 3.059 9.078 603 HB2 LEU 78 2HB LEU 78 -2.362 5.092 7.361 604 HB3 LEU 78 1HB LEU 78 -0.804 5.558 8.043 605 HG LEU 78 HG LEU 78 0.191 3.458 7.194 606 HD11 LEU 78 1HD1 LEU 78 -2.649 2.900 6.645 607 HD12 LEU 78 2HD1 LEU 78 -1.309 1.780 6.889 608 HD13 LEU 78 3HD1 LEU 78 -1.570 2.512 5.305 609 HD21 LEU 78 3HD2 LEU 78 -0.318 4.022 4.661 610 HD22 LEU 78 1HD2 LEU 78 0.547 5.178 5.670 611 HD23 LEU 78 2HD2 LEU 78 -1.178 5.402 5.357 612 H THR 79 H THR 79 -3.483 4.846 10.633 613 HA THR 79 HA THR 79 -1.833 6.781 11.953 614 HB THR 79 HB THR 79 -4.505 5.736 12.900 615 HG1 THR 79 1HG THR 79 -5.268 7.549 11.589 616 HG21 THR 79 3HG2 THR 79 -4.291 8.501 13.216 617 HG22 THR 79 1HG2 THR 79 -2.693 7.888 13.637 618 HG23 THR 79 2HG2 THR 79 -4.119 7.288 14.485 619 H LYS 80 H LYS 80 -2.479 3.439 12.381 620 HA LYS 80 HA LYS 80 -1.714 3.410 15.196 621 HB2 LYS 80 2HB LYS 80 -3.472 1.879 14.139 622 HB3 LYS 80 1HB LYS 80 -2.121 1.016 13.406 623 HG2 LYS 80 2HG LYS 80 -1.428 1.371 16.121 624 HG3 LYS 80 1HG LYS 80 -3.115 0.857 16.116 625 HD2 LYS 80 2HD LYS 80 -0.959 -0.544 14.517 626 HD3 LYS 80 1HD LYS 80 -1.424 -1.037 16.145 627 HE2 LYS 80 2HE LYS 80 -3.823 -0.712 14.644 628 HE3 LYS 80 1HE LYS 80 -2.712 -1.667 13.662 629 HZ1 LYS 80 3HZ LYS 80 -4.003 -2.327 16.165 630 HZ2 LYS 80 1HZ LYS 80 -2.365 -2.760 16.077 631 HZ3 LYS 80 2HZ LYS 80 -3.461 -3.345 14.918 632 H GLU 81 H GLU 81 0.150 4.324 13.059 633 HA GLU 81 HA GLU 81 2.110 2.844 12.120 634 HB2 GLU 81 2HB GLU 81 3.792 4.483 13.213 635 HB3 GLU 81 1HB GLU 81 2.556 5.145 12.143 636 HG2 GLU 81 2HG GLU 81 1.158 5.728 14.065 637 HG3 GLU 81 1HG GLU 81 2.326 4.994 15.162 638 H GLN 82 H GLN 82 2.368 0.799 12.948 639 HA GLN 82 HA GLN 82 3.936 0.637 15.428 640 HB2 GLN 82 2HB GLN 82 1.234 -0.393 15.054 641 HB3 GLN 82 1HB GLN 82 2.377 -1.668 15.467 642 HG2 GLN 82 2HG GLN 82 1.277 -0.477 17.434 643 HG3 GLN 82 1HG GLN 82 3.033 -0.596 17.464 644 HE21 GLN 82 1HE2 GLN 82 0.376 1.674 16.626 645 HE22 GLN 82 2HE2 GLN 82 1.293 3.078 16.891 646 H VAL 83 H VAL 83 4.819 -1.679 15.655 647 HA VAL 83 HA VAL 83 6.275 -2.270 13.282 648 HB VAL 83 HB VAL 83 7.420 -2.635 15.317 649 HG11 VAL 83 1HG1 VAL 83 4.856 -3.323 16.229 650 HG12 VAL 83 2HG1 VAL 83 6.334 -3.249 17.189 651 HG13 VAL 83 3HG1 VAL 83 5.832 -4.774 16.454 652 HG21 VAL 83 3HG2 VAL 83 7.305 -4.548 13.414 653 HG22 VAL 83 1HG2 VAL 83 6.700 -5.478 14.785 654 HG23 VAL 83 2HG2 VAL 83 8.290 -4.719 14.866 655 H ILE 84 H ILE 84 5.276 -3.165 11.579 656 HA ILE 84 HA ILE 84 3.466 -5.454 12.071 657 HB ILE 84 HB ILE 84 3.605 -3.530 9.740 658 HG12 ILE 84 2HG1 ILE 84 1.145 -4.028 11.348 659 HG13 ILE 84 1HG1 ILE 84 2.427 -3.095 12.120 660 HG21 ILE 84 1HG2 ILE 84 1.981 -6.044 10.200 661 HG22 ILE 84 2HG2 ILE 84 3.068 -5.698 8.855 662 HG23 ILE 84 3HG2 ILE 84 1.544 -4.824 9.005 663 HD11 ILE 84 3HD1 ILE 84 1.001 -2.474 9.525 664 HD12 ILE 84 1HD1 ILE 84 2.483 -1.658 10.022 665 HD13 ILE 84 2HD1 ILE 84 1.024 -1.508 11.000 666 H LYS 85 H LYS 85 3.969 -7.386 11.267 667 HA LYS 85 HA LYS 85 6.354 -7.530 9.533 668 HB2 LYS 85 2HB LYS 85 6.096 -10.020 10.708 669 HB3 LYS 85 1HB LYS 85 7.222 -8.760 11.198 670 HG2 LYS 85 2HG LYS 85 5.588 -7.856 12.772 671 HG3 LYS 85 1HG LYS 85 4.416 -9.068 12.262 672 HD2 LYS 85 2HD LYS 85 5.836 -10.866 13.079 673 HD3 LYS 85 1HD LYS 85 7.111 -9.716 13.476 674 HE2 LYS 85 2HE LYS 85 4.715 -10.421 14.993 675 HE3 LYS 85 1HE LYS 85 6.194 -9.626 15.530 676 HZ1 LYS 85 3HZ LYS 85 4.215 -8.180 13.891 677 HZ2 LYS 85 1HZ LYS 85 5.398 -7.553 14.932 678 HZ3 LYS 85 2HZ LYS 85 4.019 -8.306 15.574 679 H THR 86 H THR 86 6.303 -8.826 7.780 680 HA THR 86 HA THR 86 3.744 -9.435 6.661 681 HB THR 86 HB THR 86 5.910 -10.747 5.278 682 HG1 THR 86 1HG THR 86 6.418 -8.314 6.486 683 HG21 THR 86 3HG2 THR 86 5.275 -8.936 3.579 684 HG22 THR 86 1HG2 THR 86 4.082 -8.400 4.760 685 HG23 THR 86 2HG2 THR 86 3.982 -10.024 4.084 686 H ASN 87 H ASN 87 2.566 -11.173 7.032 687 HA ASN 87 HA ASN 87 3.649 -13.453 8.435 688 HB2 ASN 87 2HB ASN 87 1.326 -12.445 8.754 689 HB3 ASN 87 1HB ASN 87 0.895 -13.216 7.228 690 HD21 ASN 87 1HD2 ASN 87 -0.636 -14.585 8.516 691 HD22 ASN 87 2HD2 ASN 87 -0.034 -15.917 9.379 692 H ALA 88 H ALA 88 2.434 -12.780 5.167 693 HA ALA 88 HA ALA 88 3.152 -15.507 4.365 694 HB1 ALA 88 1HB ALA 88 1.429 -13.372 3.145 695 HB2 ALA 88 2HB ALA 88 1.002 -15.035 3.556 696 HB3 ALA 88 3HB ALA 88 2.035 -14.705 2.163 697 H ASN 89 H ASN 89 3.743 -15.278 1.780 698 HA ASN 89 HA ASN 89 6.211 -13.633 1.754 699 HB2 ASN 89 2HB ASN 89 5.615 -16.100 0.084 700 HB3 ASN 89 1HB ASN 89 7.165 -15.286 0.272 701 HD21 ASN 89 1HD2 ASN 89 8.467 -16.671 1.495 702 HD22 ASN 89 2HD2 ASN 89 7.974 -17.450 2.920 703 H VAL 90 H VAL 90 6.799 -12.896 -0.534 704 HA VAL 90 HA VAL 90 4.404 -12.320 -2.118 705 HB VAL 90 HB VAL 90 6.398 -10.533 -0.895 706 HG11 VAL 90 1HG1 VAL 90 6.830 -10.317 -3.279 707 HG12 VAL 90 2HG1 VAL 90 6.098 -8.850 -2.643 708 HG13 VAL 90 3HG1 VAL 90 5.129 -9.992 -3.582 709 HG21 VAL 90 3HG2 VAL 90 4.099 -10.585 -0.063 710 HG22 VAL 90 1HG2 VAL 90 3.482 -10.281 -1.687 711 HG23 VAL 90 2HG2 VAL 90 4.400 -9.033 -0.844 712 H LYS 91 H LYS 91 4.579 -12.816 -4.183 713 HA LYS 91 HA LYS 91 7.257 -12.908 -5.378 714 HB2 LYS 91 2HB LYS 91 6.736 -15.208 -4.792 715 HB3 LYS 91 1HB LYS 91 5.164 -15.078 -5.582 716 HG2 LYS 91 2HG LYS 91 6.165 -14.851 -7.744 717 HG3 LYS 91 1HG LYS 91 7.770 -14.620 -7.048 718 HD2 LYS 91 2HD LYS 91 7.460 -16.926 -7.928 719 HD3 LYS 91 1HD LYS 91 7.759 -16.914 -6.191 720 HE2 LYS 91 2HE LYS 91 5.450 -17.268 -5.691 721 HE3 LYS 91 1HE LYS 91 4.968 -16.929 -7.353 722 HZ1 LYS 91 3HZ LYS 91 6.821 -19.141 -6.757 723 HZ2 LYS 91 1HZ LYS 91 5.799 -18.936 -8.095 724 HZ3 LYS 91 2HZ LYS 91 5.145 -19.358 -6.585 725 H ALA 92 H ALA 92 7.270 -11.581 -7.051 726 HA ALA 92 HA ALA 92 4.916 -10.548 -8.266 727 HB1 ALA 92 1HB ALA 92 6.540 -9.032 -8.709 728 HB2 ALA 92 2HB ALA 92 6.923 -10.070 -10.083 729 HB3 ALA 92 3HB ALA 92 7.823 -10.235 -8.576 730 H LEU 93 H LEU 93 3.616 -11.670 -9.548 731 HA LEU 93 HA LEU 93 4.363 -14.133 -10.787 732 HB2 LEU 93 2HB LEU 93 1.953 -12.620 -10.319 733 HB3 LEU 93 1HB LEU 93 2.007 -13.154 -11.997 734 HG LEU 93 HG LEU 93 2.287 -15.453 -11.336 735 HD11 LEU 93 1HD1 LEU 93 3.513 -15.816 -9.470 736 HD12 LEU 93 2HD1 LEU 93 2.027 -15.527 -8.564 737 HD13 LEU 93 3HD1 LEU 93 3.162 -14.206 -8.841 738 HD21 LEU 93 3HD2 LEU 93 0.016 -15.225 -11.217 739 HD22 LEU 93 1HD2 LEU 93 0.116 -13.820 -10.154 740 HD23 LEU 93 2HD2 LEU 93 0.283 -15.446 -9.488 741 H THR 94 H THR 94 3.616 -10.884 -11.957 742 HA THR 94 HA THR 94 5.082 -11.485 -14.452 743 HB THR 94 HB THR 94 3.065 -9.345 -14.590 744 HG1 THR 94 1HG THR 94 2.421 -11.697 -13.490 745 HG21 THR 94 3HG2 THR 94 2.784 -10.172 -16.773 746 HG22 THR 94 1HG2 THR 94 3.299 -11.797 -16.322 747 HG23 THR 94 2HG2 THR 94 4.485 -10.496 -16.439 748 H TYR 95 H TYR 95 6.463 -9.838 -15.182 749 HA TYR 95 HA TYR 95 7.802 -8.306 -13.341 750 HB2 TYR 95 2HB TYR 95 7.925 -6.748 -15.636 751 HB3 TYR 95 1HB TYR 95 9.016 -8.071 -15.219 752 HD1 TYR 95 2HD TYR 95 5.510 -7.702 -16.529 753 HD2 TYR 95 1HD TYR 95 9.316 -9.661 -16.886 754 HE1 TYR 95 2HE TYR 95 4.657 -9.003 -18.459 755 HE2 TYR 95 1HE TYR 95 8.462 -10.964 -18.817 756 HH TYR 95 HH TYR 95 5.839 -11.683 -19.533 757 H CYS 96 H CYS 96 7.139 -6.746 -12.033 758 HA CYS 96 HA CYS 96 5.280 -4.719 -13.073 759 HB2 CYS 96 2HB CYS 96 3.723 -4.976 -11.379 760 HB3 CYS 96 1HB CYS 96 4.218 -6.652 -11.617 761 HG CYS 96 HG CYS 96 5.289 -4.849 -9.294 762 H ASP 97 H ASP 97 5.337 -2.719 -11.964 763 HA ASP 97 HA ASP 97 7.887 -2.241 -10.574 764 HB2 ASP 97 2HB ASP 97 7.769 -0.706 -12.316 765 HB3 ASP 97 1HB ASP 97 6.019 -0.541 -12.187 766 H LEU 98 H LEU 98 7.905 -1.821 -8.438 767 HA LEU 98 HA LEU 98 5.315 -1.162 -7.170 768 HB2 LEU 98 2HB LEU 98 7.537 -2.528 -5.691 769 HB3 LEU 98 1HB LEU 98 5.810 -2.527 -5.356 770 HG LEU 98 HG LEU 98 5.527 -3.759 -7.587 771 HD11 LEU 98 1HD1 LEU 98 8.463 -3.506 -7.382 772 HD12 LEU 98 2HD1 LEU 98 7.451 -3.748 -8.805 773 HD13 LEU 98 3HD1 LEU 98 7.886 -5.118 -7.795 774 HD21 LEU 98 3HD2 LEU 98 6.549 -5.933 -6.460 775 HD22 LEU 98 1HD2 LEU 98 5.155 -5.127 -5.740 776 HD23 LEU 98 2HD2 LEU 98 6.768 -4.852 -5.084 777 H GLN 99 H GLN 99 5.238 0.746 -6.248 778 HA GLN 99 HA GLN 99 7.773 2.033 -5.462 779 HB2 GLN 99 2HB GLN 99 6.581 3.355 -7.098 780 HB3 GLN 99 1HB GLN 99 5.079 3.212 -6.184 781 HG2 GLN 99 2HG GLN 99 5.921 4.555 -4.400 782 HG3 GLN 99 1HG GLN 99 7.570 4.464 -5.016 783 HE21 GLN 99 1HE2 GLN 99 6.840 7.014 -4.671 784 HE22 GLN 99 2HE2 GLN 99 6.367 7.759 -6.120 785 H TYR 100 H TYR 100 8.098 2.497 -3.349 786 HA TYR 100 HA TYR 100 5.818 2.574 -1.556 787 HB2 TYR 100 2HB TYR 100 6.967 1.013 0.059 788 HB3 TYR 100 1HB TYR 100 6.278 0.260 -1.363 789 HD1 TYR 100 1HD TYR 100 9.513 1.819 -0.300 790 HD2 TYR 100 2HD TYR 100 7.531 -1.317 -2.442 791 HE1 TYR 100 1HE TYR 100 11.689 0.749 -0.782 792 HE2 TYR 100 2HE TYR 100 9.711 -2.388 -2.909 793 HH TYR 100 HH TYR 100 12.002 -2.405 -1.901 794 H ILE 101 H ILE 101 6.496 3.100 0.675 795 HA ILE 101 HA ILE 101 9.002 4.561 0.869 796 HB ILE 101 HB ILE 101 8.118 6.561 0.365 797 HG12 ILE 101 2HG1 ILE 101 7.654 6.453 2.954 798 HG13 ILE 101 1HG1 ILE 101 6.895 7.711 1.988 799 HG21 ILE 101 1HG2 ILE 101 5.554 5.004 0.375 800 HG22 ILE 101 2HG2 ILE 101 6.489 5.533 -1.029 801 HG23 ILE 101 3HG2 ILE 101 5.611 6.715 -0.055 802 HD11 ILE 101 3HD1 ILE 101 5.454 5.114 2.198 803 HD12 ILE 101 1HD1 ILE 101 4.824 6.749 2.061 804 HD13 ILE 101 2HD1 ILE 101 5.441 6.171 3.609 805 H SER 102 H SER 102 9.741 4.735 2.951 806 HA SER 102 HA SER 102 8.679 2.954 4.843 807 HB2 SER 102 2HB SER 102 10.420 3.602 6.200 808 HB3 SER 102 1HB SER 102 11.031 4.194 4.659 809 HG SER 102 HG SER 102 9.536 6.108 5.491 810 H LEU 103 H LEU 103 6.948 3.118 6.066 811 HA LEU 103 HA LEU 103 5.124 5.176 6.041 812 HB2 LEU 103 2HB LEU 103 5.000 2.768 7.031 813 HB3 LEU 103 1HB LEU 103 5.513 3.543 8.530 814 HG LEU 103 HG LEU 103 3.238 4.734 6.969 815 HD11 LEU 103 1HD1 LEU 103 3.291 2.188 8.516 816 HD12 LEU 103 2HD1 LEU 103 2.326 2.623 7.104 817 HD13 LEU 103 3HD1 LEU 103 1.883 3.237 8.699 818 HD21 LEU 103 3HD2 LEU 103 3.133 4.529 9.895 819 HD22 LEU 103 1HD2 LEU 103 2.962 5.951 8.867 820 HD23 LEU 103 2HD2 LEU 103 4.568 5.380 9.320 821 H LYS 104 H LYS 104 7.978 4.771 8.054 822 HA LYS 104 HA LYS 104 7.418 6.920 9.849 823 HB2 LYS 104 2HB LYS 104 10.225 6.146 9.193 824 HB3 LYS 104 1HB LYS 104 9.494 6.494 10.760 825 HG2 LYS 104 2HG LYS 104 8.171 4.364 10.537 826 HG3 LYS 104 1HG LYS 104 9.107 3.998 9.089 827 HD2 LYS 104 2HD LYS 104 10.453 4.626 11.719 828 HD3 LYS 104 1HD LYS 104 9.939 2.989 11.315 829 HE2 LYS 104 2HE LYS 104 11.796 4.693 9.626 830 HE3 LYS 104 1HE LYS 104 12.309 3.390 10.696 831 HZ1 LYS 104 3HZ LYS 104 10.314 2.947 8.561 832 HZ2 LYS 104 1HZ LYS 104 11.249 1.799 9.389 833 HZ3 LYS 104 2HZ LYS 104 11.982 2.833 8.257 834 H GLY 105 H GLY 105 9.095 6.608 6.769 835 HA2 GLY 105 2HA GLY 105 10.263 9.185 6.655 836 HA3 GLY 105 1HA GLY 105 9.898 8.155 5.275 837 H LEU 106 H LEU 106 7.193 7.908 5.403 838 HA LEU 106 HA LEU 106 6.352 10.339 4.217 839 HB2 LEU 106 2HB LEU 106 5.355 8.410 3.364 840 HB3 LEU 106 1HB LEU 106 4.946 7.800 4.964 841 HG LEU 106 HG LEU 106 3.805 10.446 4.264 842 HD11 LEU 106 1HD1 LEU 106 3.475 9.394 2.127 843 HD12 LEU 106 2HD1 LEU 106 1.942 9.290 2.992 844 HD13 LEU 106 3HD1 LEU 106 2.990 7.876 2.885 845 HD21 LEU 106 3HD2 LEU 106 3.158 9.464 6.351 846 HD22 LEU 106 1HD2 LEU 106 2.863 7.895 5.601 847 HD23 LEU 106 2HD2 LEU 106 1.781 9.244 5.275 848 H ARG 107 H ARG 107 5.618 8.832 7.349 849 HA ARG 107 HA ARG 107 3.713 10.802 8.047 850 HB2 ARG 107 2HB ARG 107 3.589 8.652 9.116 851 HB3 ARG 107 1HB ARG 107 5.200 8.848 9.779 852 HG2 ARG 107 2HG ARG 107 3.549 9.353 11.503 853 HG3 ARG 107 1HG ARG 107 4.419 10.824 11.067 854 HD2 ARG 107 2HD ARG 107 2.486 11.811 10.491 855 HD3 ARG 107 1HD ARG 107 2.194 10.548 9.298 856 HE ARG 107 HE ARG 107 0.587 9.730 10.737 857 HH11 ARG 107 1HH2 ARG 107 3.021 11.436 12.512 858 HH12 ARG 107 2HH2 ARG 107 2.261 11.197 14.050 859 HH21 ARG 107 1HH1 ARG 107 -0.412 9.412 12.749 860 HH22 ARG 107 2HH1 ARG 107 0.317 10.051 14.184 861 H GLU 108 H GLU 108 7.156 10.663 8.402 862 HA GLU 108 HA GLU 108 7.408 12.667 10.421 863 HB2 GLU 108 2HB GLU 108 9.214 11.037 9.806 864 HB3 GLU 108 1HB GLU 108 9.433 11.926 8.298 865 HG2 GLU 108 2HG GLU 108 9.428 13.539 10.794 866 HG3 GLU 108 1HG GLU 108 10.828 12.499 10.536 867 H VAL 109 H VAL 109 7.816 12.690 6.924 868 HA VAL 109 HA VAL 109 8.213 15.437 6.532 869 HB VAL 109 HB VAL 109 7.144 14.836 4.228 870 HG11 VAL 109 1HG1 VAL 109 9.484 14.790 4.194 871 HG12 VAL 109 2HG1 VAL 109 9.119 13.086 3.899 872 HG13 VAL 109 3HG1 VAL 109 9.563 13.625 5.514 873 HG21 VAL 109 3HG2 VAL 109 7.133 12.313 3.938 874 HG22 VAL 109 1HG2 VAL 109 5.756 13.063 4.734 875 HG23 VAL 109 2HG2 VAL 109 6.973 12.234 5.686 876 H LEU 110 H LEU 110 5.337 13.440 6.680 877 HA LEU 110 HA LEU 110 3.410 15.474 6.287 878 HB2 LEU 110 2HB LEU 110 3.529 12.673 7.006 879 HB3 LEU 110 1HB LEU 110 2.273 13.481 7.884 880 HG LEU 110 HG LEU 110 1.364 14.367 5.756 881 HD11 LEU 110 1HD1 LEU 110 3.414 14.500 4.459 882 HD12 LEU 110 2HD1 LEU 110 2.285 13.440 3.629 883 HD13 LEU 110 3HD1 LEU 110 3.621 12.753 4.547 884 HD21 LEU 110 3HD2 LEU 110 0.497 12.275 4.917 885 HD22 LEU 110 1HD2 LEU 110 0.688 12.106 6.660 886 HD23 LEU 110 2HD2 LEU 110 1.869 11.391 5.572 887 H ARG 111 H ARG 111 5.234 14.340 9.057 888 HA ARG 111 HA ARG 111 3.754 15.502 11.132 889 HB2 ARG 111 2HB ARG 111 5.915 14.038 11.223 890 HB3 ARG 111 1HB ARG 111 6.760 15.582 11.122 891 HG2 ARG 111 2HG ARG 111 5.763 16.377 13.133 892 HG3 ARG 111 1HG ARG 111 4.571 15.077 13.142 893 HD2 ARG 111 2HD ARG 111 6.445 14.719 14.769 894 HD3 ARG 111 1HD ARG 111 6.282 13.426 13.586 895 HE ARG 111 HE ARG 111 8.103 14.959 12.378 896 HH11 ARG 111 1HH2 ARG 111 7.764 13.986 15.683 897 HH12 ARG 111 2HH2 ARG 111 9.465 14.016 16.009 898 HH21 ARG 111 1HH1 ARG 111 10.335 15.002 12.803 899 HH22 ARG 111 2HH1 ARG 111 10.918 14.591 14.381 900 H LEU 112 H LEU 112 6.019 16.844 8.801 901 HA LEU 112 HA LEU 112 6.266 19.430 9.940 902 HB2 LEU 112 2HB LEU 112 7.181 18.112 7.611 903 HB3 LEU 112 1HB LEU 112 6.275 19.519 7.054 904 HG LEU 112 HG LEU 112 7.585 20.926 8.669 905 HD11 LEU 112 1HD1 LEU 112 8.471 18.295 9.498 906 HD12 LEU 112 2HD1 LEU 112 8.731 19.852 10.284 907 HD13 LEU 112 3HD1 LEU 112 9.852 19.293 9.044 908 HD21 LEU 112 3HD2 LEU 112 8.811 19.413 6.391 909 HD22 LEU 112 1HD2 LEU 112 9.852 20.460 7.356 910 HD23 LEU 112 2HD2 LEU 112 8.450 21.134 6.525 911 H TYR 113 H TYR 113 3.892 17.802 7.987 912 HA TYR 113 HA TYR 113 2.159 20.215 8.097 913 HB2 TYR 113 2HB TYR 113 2.669 18.251 5.931 914 HB3 TYR 113 1HB TYR 113 0.989 18.743 6.158 915 HD1 TYR 113 2HD TYR 113 0.763 21.404 6.693 916 HD2 TYR 113 1HD TYR 113 3.915 19.543 4.443 917 HE1 TYR 113 2HE TYR 113 1.243 23.565 5.577 918 HE2 TYR 113 1HE TYR 113 4.393 21.706 3.327 919 HH TYR 113 HH TYR 113 3.984 24.274 4.044 920 HA PRO 114 HA PRO 114 0.409 17.075 10.979 921 HB2 PRO 114 2HB PRO 114 -0.825 19.485 12.144 922 HB3 PRO 114 1HB PRO 114 0.179 18.242 12.910 923 HG2 PRO 114 2HG PRO 114 1.072 20.724 12.416 924 HG3 PRO 114 1HG PRO 114 2.127 19.301 12.381 925 HD2 PRO 114 2HD PRO 114 0.990 20.862 10.093 926 HD3 PRO 114 1HD PRO 114 2.566 20.057 10.243 927 H GLU 115 H GLU 115 -1.428 19.783 9.487 928 HA GLU 115 HA GLU 115 -3.974 18.629 10.032 929 HB2 GLU 115 2HB GLU 115 -3.373 20.503 7.745 930 HB3 GLU 115 1HB GLU 115 -4.878 20.331 8.651 931 HG2 GLU 115 2HG GLU 115 -3.879 21.274 10.632 932 HG3 GLU 115 1HG GLU 115 -2.275 21.242 9.901 933 H TYR 116 H TYR 116 -2.017 18.785 7.090 934 HA TYR 116 HA TYR 116 -3.718 17.105 5.551 935 HB2 TYR 116 2HB TYR 116 -0.782 17.754 5.196 936 HB3 TYR 116 1HB TYR 116 -1.848 17.074 3.975 937 HD1 TYR 116 1HD TYR 116 -4.248 18.491 3.930 938 HD2 TYR 116 2HD TYR 116 -0.348 20.014 4.889 939 HE1 TYR 116 1HE TYR 116 -4.986 20.773 3.305 940 HE2 TYR 116 2HE TYR 116 -1.087 22.298 4.264 941 HH TYR 116 HH TYR 116 -3.301 23.082 2.463 942 H ALA 117 H ALA 117 -0.985 16.595 7.655 943 HA ALA 117 HA ALA 117 -0.363 13.954 6.919 944 HB1 ALA 117 1HB ALA 117 1.246 15.161 8.102 945 HB2 ALA 117 2HB ALA 117 0.687 13.938 9.249 946 HB3 ALA 117 3HB ALA 117 0.115 15.601 9.375 947 H GLN 118 H GLN 118 -2.075 15.050 9.857 948 HA GLN 118 HA GLN 118 -2.824 12.522 10.745 949 HB2 GLN 118 2HB GLN 118 -4.309 15.157 10.964 950 HB3 GLN 118 1HB GLN 118 -4.702 13.714 11.881 951 HG2 GLN 118 2HG GLN 118 -2.164 15.335 12.018 952 HG3 GLN 118 1HG GLN 118 -3.334 15.050 13.300 953 HE21 GLN 118 1HE2 GLN 118 -0.427 13.891 11.893 954 HE22 GLN 118 2HE2 GLN 118 -0.342 12.420 12.734 955 H LYS 119 H LYS 119 -4.072 14.569 8.253 956 HA LYS 119 HA LYS 119 -6.498 13.133 7.767 957 HB2 LYS 119 2HB LYS 119 -5.685 15.580 7.084 958 HB3 LYS 119 1HB LYS 119 -5.200 14.730 5.618 959 HG2 LYS 119 2HG LYS 119 -7.405 15.337 5.123 960 HG3 LYS 119 1HG LYS 119 -7.598 13.692 5.726 961 HD2 LYS 119 2HD LYS 119 -8.470 14.402 7.776 962 HD3 LYS 119 1HD LYS 119 -7.745 16.005 7.643 963 HE2 LYS 119 2HE LYS 119 -9.284 16.453 5.697 964 HE3 LYS 119 1HE LYS 119 -10.093 14.929 6.062 965 HZ1 LYS 119 3HZ LYS 119 -10.633 17.365 7.185 966 HZ2 LYS 119 1HZ LYS 119 -9.765 16.543 8.389 967 HZ3 LYS 119 2HZ LYS 119 -11.178 15.856 7.743 968 H PHE 120 H PHE 120 -3.153 12.738 6.743 969 HA PHE 120 HA PHE 120 -3.604 11.386 4.331 970 HB2 PHE 120 2HB PHE 120 -1.405 11.482 4.271 971 HB3 PHE 120 1HB PHE 120 -1.416 12.114 5.911 972 HD1 PHE 120 1HD PHE 120 -1.237 8.960 3.903 973 HD2 PHE 120 2HD PHE 120 -0.665 10.807 7.742 974 HE1 PHE 120 1HE PHE 120 -0.012 6.982 4.669 975 HE2 PHE 120 2HE PHE 120 0.535 8.787 8.526 976 HZ PHE 120 HZ PHE 120 0.862 6.870 6.994 977 H VAL 121 H VAL 121 -3.206 9.988 7.604 978 HA VAL 121 HA VAL 121 -3.323 7.313 6.818 979 HB VAL 121 HB VAL 121 -4.081 6.822 9.100 980 HG11 VAL 121 1HG1 VAL 121 -1.996 8.936 8.677 981 HG12 VAL 121 2HG1 VAL 121 -1.777 7.236 9.083 982 HG13 VAL 121 3HG1 VAL 121 -2.353 8.371 10.305 983 HG21 VAL 121 3HG2 VAL 121 -5.685 8.308 9.789 984 HG22 VAL 121 1HG2 VAL 121 -4.953 9.658 8.923 985 HG23 VAL 121 2HG2 VAL 121 -4.291 9.142 10.474 986 H SER 122 H SER 122 -5.865 9.679 7.316 987 HA SER 122 HA SER 122 -8.017 7.769 7.013 988 HB2 SER 122 2HB SER 122 -9.368 9.448 7.727 989 HB3 SER 122 1HB SER 122 -7.849 10.177 8.240 990 HG SER 122 HG SER 122 -9.494 10.758 6.057 991 H GLU 123 H GLU 123 -6.200 9.915 4.948 992 HA GLU 123 HA GLU 123 -8.135 9.825 2.792 993 HB2 GLU 123 2HB GLU 123 -5.409 11.021 3.150 994 HB3 GLU 123 1HB GLU 123 -6.125 10.902 1.544 995 HG2 GLU 123 2HG GLU 123 -7.976 12.258 2.153 996 HG3 GLU 123 1HG GLU 123 -7.628 12.101 3.873 997 H ILE 124 H ILE 124 -5.277 8.053 3.751 998 HA ILE 124 HA ILE 124 -4.464 6.945 1.341 999 HB ILE 124 HB ILE 124 -3.598 6.743 3.849 1000 HG12 ILE 124 2HG1 ILE 124 -3.166 5.207 1.363 1001 HG13 ILE 124 1HG1 ILE 124 -2.016 6.073 2.378 1002 HG21 ILE 124 1HG2 ILE 124 -4.013 4.562 4.799 1003 HG22 ILE 124 2HG2 ILE 124 -4.942 4.063 3.391 1004 HG23 ILE 124 3HG2 ILE 124 -5.575 5.305 4.473 1005 HD11 ILE 124 3HD1 ILE 124 -1.396 3.813 2.656 1006 HD12 ILE 124 1HD1 ILE 124 -3.072 3.270 2.698 1007 HD13 ILE 124 2HD1 ILE 124 -2.394 4.134 4.072 1008 H GLN 125 H GLN 125 -7.003 5.854 3.573 1009 HA GLN 125 HA GLN 125 -7.584 3.366 2.642 1010 HB2 GLN 125 2HB GLN 125 -10.087 4.122 3.114 1011 HB3 GLN 125 1HB GLN 125 -8.919 3.888 4.415 1012 HG2 GLN 125 2HG GLN 125 -10.101 6.037 4.640 1013 HG3 GLN 125 1HG GLN 125 -8.368 6.230 4.393 1014 HE21 GLN 125 1HE2 GLN 125 -11.044 5.629 2.055 1015 HE22 GLN 125 2HE2 GLN 125 -10.688 6.972 1.079 1016 H HIS 126 H HIS 126 -8.294 6.389 1.035 1017 HA HIS 126 HA HIS 126 -10.235 5.524 -0.772 1018 HB2 HIS 126 2HB HIS 126 -9.965 7.786 -0.919 1019 HB3 HIS 126 1HB HIS 126 -8.220 7.688 -0.730 1020 HD1 HIS 126 1HD HIS 126 -6.910 8.040 -2.827 1021 HD2 HIS 126 2HD HIS 126 -10.780 6.717 -3.639 1022 HE1 HIS 126 1HE HIS 126 -7.141 8.007 -5.349 1023 HE2 HIS 126 2HE HIS 126 -9.495 7.205 -5.860 1024 H ASP 127 H ASP 127 -6.946 4.606 -0.506 1025 HA ASP 127 HA ASP 127 -7.083 3.382 -3.200 1026 HB2 ASP 127 2HB ASP 127 -4.850 4.761 -1.781 1027 HB3 ASP 127 1HB ASP 127 -4.465 3.418 -2.855 1028 H LEU 128 H LEU 128 -7.481 2.581 -0.112 1029 HA LEU 128 HA LEU 128 -5.656 0.486 0.381 1030 HB2 LEU 128 2HB LEU 128 -6.967 1.323 2.199 1031 HB3 LEU 128 1HB LEU 128 -8.475 0.952 1.364 1032 HG LEU 128 HG LEU 128 -7.967 -1.449 1.472 1033 HD11 LEU 128 1HD1 LEU 128 -5.398 -0.413 2.662 1034 HD12 LEU 128 2HD1 LEU 128 -5.616 -1.588 1.366 1035 HD13 LEU 128 3HD1 LEU 128 -5.971 -2.038 3.034 1036 HD21 LEU 128 3HD2 LEU 128 -9.216 -0.739 3.347 1037 HD22 LEU 128 1HD2 LEU 128 -7.855 0.152 4.028 1038 HD23 LEU 128 2HD2 LEU 128 -7.860 -1.611 4.061 1039 H THR 129 H THR 129 -5.362 -1.312 -0.756 1040 HA THR 129 HA THR 129 -7.649 -2.467 -2.222 1041 HB THR 129 HB THR 129 -4.668 -2.700 -2.616 1042 HG1 THR 129 1HG THR 129 -5.178 -1.780 -4.578 1043 HG21 THR 129 3HG2 THR 129 -6.887 -4.490 -3.443 1044 HG22 THR 129 1HG2 THR 129 -5.182 -4.856 -3.181 1045 HG23 THR 129 2HG2 THR 129 -5.699 -4.091 -4.684 1046 H TYR 130 H TYR 130 -4.728 -3.507 -0.438 1047 HA TYR 130 HA TYR 130 -6.329 -5.685 0.746 1048 HB2 TYR 130 2HB TYR 130 -4.730 -6.334 -1.228 1049 HB3 TYR 130 1HB TYR 130 -3.465 -6.151 -0.013 1050 HD1 TYR 130 2HD TYR 130 -6.594 -7.966 -0.854 1051 HD2 TYR 130 1HD TYR 130 -3.190 -7.743 1.758 1052 HE1 TYR 130 2HE TYR 130 -7.154 -10.200 0.068 1053 HE2 TYR 130 1HE TYR 130 -3.751 -9.976 2.678 1054 HH TYR 130 HH TYR 130 -4.976 -11.923 2.153 1055 H ASN 131 H ASN 131 -6.182 -5.711 2.897 1056 HA ASN 131 HA ASN 131 -4.223 -3.998 4.212 1057 HB2 ASN 131 2HB ASN 131 -5.563 -4.194 6.149 1058 HB3 ASN 131 1HB ASN 131 -6.713 -4.123 4.814 1059 HD21 ASN 131 1HD2 ASN 131 -5.181 -6.337 7.150 1060 HD22 ASN 131 2HD2 ASN 131 -6.317 -7.583 6.957 1061 H LEU 132 H LEU 132 -2.283 -4.812 4.685 1062 HA LEU 132 HA LEU 132 -1.943 -7.687 5.073 1063 HB2 LEU 132 2HB LEU 132 -0.357 -6.262 3.704 1064 HB3 LEU 132 1HB LEU 132 0.166 -5.528 5.219 1065 HG LEU 132 HG LEU 132 0.098 -8.499 5.159 1066 HD11 LEU 132 1HD1 LEU 132 1.076 -7.688 2.918 1067 HD12 LEU 132 2HD1 LEU 132 2.086 -8.760 3.888 1068 HD13 LEU 132 3HD1 LEU 132 2.401 -7.025 3.874 1069 HD21 LEU 132 3HD2 LEU 132 2.438 -6.864 6.023 1070 HD22 LEU 132 1HD2 LEU 132 1.700 -8.265 6.799 1071 HD23 LEU 132 2HD2 LEU 132 0.948 -6.677 6.947 1072 H ARG 133 H ARG 133 -2.228 -8.523 7.040 1073 HA ARG 133 HA ARG 133 -1.739 -6.822 9.394 1074 HB2 ARG 133 2HB ARG 133 -3.373 -7.976 10.508 1075 HB3 ARG 133 1HB ARG 133 -3.957 -8.201 8.861 1076 HG2 ARG 133 2HG ARG 133 -2.683 -10.362 8.768 1077 HG3 ARG 133 1HG ARG 133 -2.294 -10.149 10.477 1078 HD2 ARG 133 2HD ARG 133 -4.283 -11.596 10.133 1079 HD3 ARG 133 1HD ARG 133 -4.639 -10.147 11.065 1080 HE ARG 133 HE ARG 133 -5.134 -9.603 8.345 1081 HH11 ARG 133 1HH2 ARG 133 -6.303 -11.526 10.971 1082 HH12 ARG 133 2HH2 ARG 133 -7.937 -11.566 10.399 1083 HH21 ARG 133 1HH1 ARG 133 -7.277 -9.648 7.587 1084 HH22 ARG 133 2HH1 ARG 133 -8.488 -10.502 8.483 1085 H GLU 134 H GLU 134 -0.580 -7.650 11.192 1086 HA GLU 134 HA GLU 134 1.700 -9.246 10.438 1087 HB2 GLU 134 2HB GLU 134 1.892 -8.958 13.148 1088 HB3 GLU 134 1HB GLU 134 2.480 -7.778 11.976 1089 HG2 GLU 134 2HG GLU 134 0.372 -6.556 12.088 1090 HG3 GLU 134 1HG GLU 134 -0.306 -7.771 13.169 1091 H GLY 135 H GLY 135 1.942 -11.376 10.670 1092 HA2 GLY 135 2HA GLY 135 1.651 -13.539 11.419 1093 HA3 GLY 135 1HA GLY 135 0.809 -12.880 12.818 Start of MODEL 8 1 H1 MET 1 H MET 1 7.638 13.148 -16.704 2 HA MET 1 HA MET 1 5.595 11.712 -18.243 3 HB2 MET 1 2HB MET 1 7.180 10.039 -19.044 4 HB3 MET 1 1HB MET 1 7.651 11.636 -19.625 5 HG2 MET 1 2HG MET 1 8.985 11.544 -17.247 6 HG3 MET 1 1HG MET 1 9.026 9.845 -17.717 7 HE1 MET 1 3HE MET 1 12.527 11.141 -18.621 8 HE2 MET 1 1HE MET 1 11.707 9.605 -18.307 9 HE3 MET 1 2HE MET 1 11.454 10.978 -17.232 10 H ASN 2 H ASN 2 6.381 9.129 -17.612 11 HA ASN 2 HA ASN 2 5.688 7.711 -15.873 12 HB2 ASN 2 2HB ASN 2 8.290 8.028 -16.001 13 HB3 ASN 2 1HB ASN 2 8.073 8.841 -14.453 14 HD21 ASN 2 1HD2 ASN 2 6.436 7.443 -12.947 15 HD22 ASN 2 2HD2 ASN 2 6.821 5.792 -12.869 16 H LYS 3 H LYS 3 3.782 8.573 -15.040 17 HA LYS 3 HA LYS 3 3.733 10.733 -13.166 18 HB2 LYS 3 2HB LYS 3 1.804 8.913 -14.417 19 HB3 LYS 3 1HB LYS 3 1.391 9.345 -12.758 20 HG2 LYS 3 2HG LYS 3 1.174 11.601 -13.251 21 HG3 LYS 3 1HG LYS 3 2.285 11.516 -14.619 22 HD2 LYS 3 2HD LYS 3 -0.092 11.813 -15.329 23 HD3 LYS 3 1HD LYS 3 0.623 10.324 -15.948 24 HE2 LYS 3 2HE LYS 3 -1.643 9.919 -15.040 25 HE3 LYS 3 1HE LYS 3 -0.417 9.050 -14.115 26 HZ1 LYS 3 3HZ LYS 3 -2.237 10.502 -12.940 27 HZ2 LYS 3 1HZ LYS 3 -1.137 11.754 -13.258 28 HZ3 LYS 3 2HZ LYS 3 -0.653 10.416 -12.330 29 H GLU 4 H GLU 4 3.916 10.713 -10.999 30 HA GLU 4 HA GLU 4 4.759 8.266 -9.699 31 HB2 GLU 4 2HB GLU 4 4.326 11.041 -8.571 32 HB3 GLU 4 1HB GLU 4 5.132 9.704 -7.748 33 HG2 GLU 4 2HG GLU 4 6.895 9.664 -9.399 34 HG3 GLU 4 1HG GLU 4 6.042 10.831 -10.407 35 H LEU 5 H LEU 5 3.705 7.204 -8.020 36 HA LEU 5 HA LEU 5 0.873 7.151 -8.158 37 HB2 LEU 5 2HB LEU 5 2.552 5.271 -7.510 38 HB3 LEU 5 1HB LEU 5 2.451 5.961 -5.894 39 HG LEU 5 HG LEU 5 0.842 4.087 -6.279 40 HD11 LEU 5 1HD1 LEU 5 0.466 6.393 -4.905 41 HD12 LEU 5 2HD1 LEU 5 -0.627 5.012 -4.853 42 HD13 LEU 5 3HD1 LEU 5 -0.975 6.362 -5.927 43 HD21 LEU 5 3HD2 LEU 5 -0.777 4.115 -7.910 44 HD22 LEU 5 1HD2 LEU 5 0.448 5.079 -8.737 45 HD23 LEU 5 2HD2 LEU 5 -0.891 5.875 -7.909 46 H LEU 6 H LEU 6 3.095 8.967 -6.207 47 HA LEU 6 HA LEU 6 1.614 9.414 -3.905 48 HB2 LEU 6 2HB LEU 6 2.679 11.707 -3.881 49 HB3 LEU 6 1HB LEU 6 3.796 10.340 -3.990 50 HG LEU 6 HG LEU 6 3.558 10.661 -6.567 51 HD11 LEU 6 1HD1 LEU 6 2.464 13.237 -5.444 52 HD12 LEU 6 2HD1 LEU 6 1.825 12.248 -6.758 53 HD13 LEU 6 3HD1 LEU 6 3.285 13.205 -7.005 54 HD21 LEU 6 3HD2 LEU 6 5.104 12.380 -4.641 55 HD22 LEU 6 1HD2 LEU 6 5.291 12.609 -6.380 56 HD23 LEU 6 2HD2 LEU 6 5.683 11.052 -5.648 57 H GLN 7 H GLN 7 0.174 9.585 -6.703 58 HA GLN 7 HA GLN 7 -0.994 12.142 -6.857 59 HB2 GLN 7 2HB GLN 7 -1.073 10.143 -8.539 60 HB3 GLN 7 1HB GLN 7 -2.476 9.633 -7.600 61 HG2 GLN 7 2HG GLN 7 -3.268 12.101 -7.899 62 HG3 GLN 7 1HG GLN 7 -2.104 12.139 -9.223 63 HE21 GLN 7 1HE2 GLN 7 -5.225 10.912 -8.219 64 HE22 GLN 7 2HE2 GLN 7 -5.604 10.135 -9.680 65 H LEU 8 H LEU 8 -1.186 9.661 -4.577 66 HA LEU 8 HA LEU 8 -3.822 9.736 -3.672 67 HB2 LEU 8 2HB LEU 8 -1.181 9.156 -2.423 68 HB3 LEU 8 1HB LEU 8 -2.555 9.418 -1.348 69 HG LEU 8 HG LEU 8 -3.823 7.669 -2.458 70 HD11 LEU 8 1HD1 LEU 8 -3.288 7.683 -4.715 71 HD12 LEU 8 2HD1 LEU 8 -2.350 6.287 -4.184 72 HD13 LEU 8 3HD1 LEU 8 -1.559 7.847 -4.410 73 HD21 LEU 8 3HD2 LEU 8 -2.580 6.647 -0.781 74 HD22 LEU 8 1HD2 LEU 8 -1.038 7.079 -1.520 75 HD23 LEU 8 2HD2 LEU 8 -1.996 5.758 -2.189 76 HA PRO 9 HA PRO 9 -4.776 13.775 -2.192 77 HB2 PRO 9 2HB PRO 9 -5.439 12.409 0.378 78 HB3 PRO 9 1HB PRO 9 -6.396 13.554 -0.577 79 HG2 PRO 9 2HG PRO 9 -6.866 10.909 -0.584 80 HG3 PRO 9 1HG PRO 9 -7.166 11.943 -1.990 81 HD2 PRO 9 2HD PRO 9 -5.078 9.894 -1.604 82 HD3 PRO 9 1HD PRO 9 -5.691 10.619 -3.106 83 H LEU 10 H LEU 10 -2.459 11.805 -0.490 84 HA LEU 10 HA LEU 10 -1.818 13.383 1.675 85 HB2 LEU 10 2HB LEU 10 0.666 12.581 0.952 86 HB3 LEU 10 1HB LEU 10 -0.464 11.657 1.938 87 HG LEU 10 HG LEU 10 -1.268 11.047 -0.651 88 HD11 LEU 10 1HD1 LEU 10 0.925 12.337 -1.198 89 HD12 LEU 10 2HD1 LEU 10 0.577 10.809 -2.030 90 HD13 LEU 10 3HD1 LEU 10 1.711 10.837 -0.677 91 HD21 LEU 10 3HD2 LEU 10 -0.542 8.868 -0.116 92 HD22 LEU 10 1HD2 LEU 10 -0.828 9.609 1.462 93 HD23 LEU 10 2HD2 LEU 10 0.817 9.467 0.832 94 H PHE 11 H PHE 11 -0.434 13.657 -1.582 95 HA PHE 11 HA PHE 11 0.886 16.091 -0.720 96 HB2 PHE 11 2HB PHE 11 2.283 15.960 -2.546 97 HB3 PHE 11 1HB PHE 11 1.968 14.255 -2.196 98 HD1 PHE 11 1HD PHE 11 -0.565 13.717 -3.113 99 HD2 PHE 11 2HD PHE 11 2.276 16.329 -4.919 100 HE1 PHE 11 1HE PHE 11 -1.712 13.427 -5.297 101 HE2 PHE 11 2HE PHE 11 1.171 16.040 -7.118 102 HZ PHE 11 HZ PHE 11 -0.833 14.585 -7.311 103 H GLU 12 H GLU 12 -1.619 15.026 -2.939 104 HA GLU 12 HA GLU 12 -2.012 17.406 -4.368 105 HB2 GLU 12 2HB GLU 12 -3.031 15.229 -4.978 106 HB3 GLU 12 1HB GLU 12 -4.089 15.353 -3.575 107 HG2 GLU 12 2HG GLU 12 -5.139 16.111 -5.732 108 HG3 GLU 12 1HG GLU 12 -5.155 17.303 -4.436 109 H SER 13 H SER 13 -3.358 16.297 -1.287 110 HA SER 13 HA SER 13 -4.967 18.686 -0.963 111 HB2 SER 13 2HB SER 13 -5.889 17.630 0.861 112 HB3 SER 13 1HB SER 13 -5.295 16.215 -0.005 113 HG SER 13 HG SER 13 -3.842 15.926 1.495 114 H ALA 14 H ALA 14 -1.759 18.141 -0.839 115 HA ALA 14 HA ALA 14 -1.301 20.018 1.395 116 HB1 ALA 14 1HB ALA 14 -0.228 17.554 1.123 117 HB2 ALA 14 2HB ALA 14 0.619 18.892 1.899 118 HB3 ALA 14 3HB ALA 14 0.951 18.499 0.203 119 H SER 15 H SER 15 0.808 21.264 1.024 120 HA SER 15 HA SER 15 0.563 22.679 -1.486 121 HB2 SER 15 2HB SER 15 1.125 23.863 0.638 122 HB3 SER 15 1HB SER 15 2.638 22.964 0.709 123 HG SER 15 HG SER 15 2.401 25.200 -0.412 124 H ARG 16 H ARG 16 2.181 22.699 -3.127 125 HA ARG 16 HA ARG 16 3.266 20.272 -3.794 126 HB2 ARG 16 2HB ARG 16 4.592 22.937 -4.405 127 HB3 ARG 16 1HB ARG 16 4.749 21.442 -5.328 128 HG2 ARG 16 2HG ARG 16 1.988 22.475 -4.882 129 HG3 ARG 16 1HG ARG 16 3.003 23.362 -6.019 130 HD2 ARG 16 2HD ARG 16 2.996 20.397 -6.265 131 HD3 ARG 16 1HD ARG 16 1.527 21.234 -6.754 132 HE ARG 16 HE ARG 16 3.955 22.375 -7.849 133 HH11 ARG 16 1HH2 ARG 16 1.424 20.037 -8.184 134 HH12 ARG 16 2HH2 ARG 16 1.582 19.909 -9.904 135 HH21 ARG 16 1HH1 ARG 16 4.166 22.213 -10.104 136 HH22 ARG 16 2HH1 ARG 16 3.135 21.141 -10.992 137 H GLY 17 H GLY 17 4.191 22.447 -1.352 138 HA2 GLY 17 2HA GLY 17 6.914 21.857 -0.994 139 HA3 GLY 17 1HA GLY 17 5.806 22.362 0.283 140 H CYS 18 H CYS 18 3.958 20.185 0.116 141 HA CYS 18 HA CYS 18 5.372 18.237 1.682 142 HB2 CYS 18 2HB CYS 18 2.723 18.908 1.384 143 HB3 CYS 18 1HB CYS 18 2.811 17.379 0.491 144 HG CYS 18 HG CYS 18 3.811 16.274 2.682 145 H LEU 19 H LEU 19 4.437 18.581 -1.675 146 HA LEU 19 HA LEU 19 4.936 15.872 -2.395 147 HB2 LEU 19 2HB LEU 19 3.694 17.525 -3.815 148 HB3 LEU 19 1HB LEU 19 5.229 18.324 -4.148 149 HG LEU 19 HG LEU 19 6.113 16.350 -5.219 150 HD11 LEU 19 1HD1 LEU 19 3.717 15.042 -3.969 151 HD12 LEU 19 2HD1 LEU 19 5.382 14.474 -4.072 152 HD13 LEU 19 3HD1 LEU 19 4.339 14.396 -5.489 153 HD21 LEU 19 3HD2 LEU 19 3.729 15.965 -6.670 154 HD22 LEU 19 1HD2 LEU 19 5.027 17.098 -7.045 155 HD23 LEU 19 2HD2 LEU 19 3.652 17.622 -6.072 156 H ARG 20 H ARG 20 6.893 18.722 -1.966 157 HA ARG 20 HA ARG 20 9.344 17.654 -3.030 158 HB2 ARG 20 2HB ARG 20 8.795 19.910 -1.082 159 HB3 ARG 20 1HB ARG 20 10.357 19.571 -1.814 160 HG2 ARG 20 2HG ARG 20 7.827 20.185 -3.341 161 HG3 ARG 20 1HG ARG 20 9.137 21.330 -3.040 162 HD2 ARG 20 2HD ARG 20 10.514 19.209 -4.075 163 HD3 ARG 20 1HD ARG 20 8.997 19.094 -4.961 164 HE ARG 20 HE ARG 20 9.519 21.101 -6.037 165 HH11 ARG 20 1HH2 ARG 20 11.638 20.474 -3.375 166 HH12 ARG 20 2HH2 ARG 20 12.751 21.737 -3.784 167 HH21 ARG 20 1HH1 ARG 20 10.973 22.759 -6.581 168 HH22 ARG 20 2HH1 ARG 20 12.374 23.031 -5.600 169 H SER 21 H SER 21 7.817 17.989 0.077 170 HA SER 21 HA SER 21 9.782 16.967 1.815 171 HB2 SER 21 2HB SER 21 8.021 16.894 3.372 172 HB3 SER 21 1HB SER 21 7.566 18.174 2.265 173 HG SER 21 HG SER 21 5.819 16.804 2.542 174 H LEU 22 H LEU 22 7.062 15.302 0.231 175 HA LEU 22 HA LEU 22 7.783 12.716 1.117 176 HB2 LEU 22 2HB LEU 22 5.816 13.866 -0.621 177 HB3 LEU 22 1HB LEU 22 6.582 12.500 -1.435 178 HG LEU 22 HG LEU 22 6.209 11.126 0.610 179 HD11 LEU 22 1HD1 LEU 22 5.229 11.951 2.477 180 HD12 LEU 22 2HD1 LEU 22 4.162 13.028 1.581 181 HD13 LEU 22 3HD1 LEU 22 5.837 13.496 1.882 182 HD21 LEU 22 3HD2 LEU 22 4.596 10.688 -0.977 183 HD22 LEU 22 1HD2 LEU 22 4.016 12.359 -0.995 184 HD23 LEU 22 2HD2 LEU 22 3.592 11.296 0.345 185 H SER 23 H SER 23 8.303 14.314 -2.038 186 HA SER 23 HA SER 23 9.815 12.295 -3.159 187 HB2 SER 23 2HB SER 23 9.353 13.675 -4.817 188 HB3 SER 23 1HB SER 23 9.347 15.103 -3.769 189 HG SER 23 HG SER 23 11.821 14.011 -3.967 190 H LEU 24 H LEU 24 10.737 14.704 -0.856 191 HA LEU 24 HA LEU 24 13.533 14.536 -1.127 192 HB2 LEU 24 2HB LEU 24 11.646 15.577 0.791 193 HB3 LEU 24 1HB LEU 24 12.974 14.755 1.611 194 HG LEU 24 HG LEU 24 13.390 17.192 1.120 195 HD11 LEU 24 1HD1 LEU 24 15.089 14.905 0.652 196 HD12 LEU 24 2HD1 LEU 24 15.501 16.462 1.369 197 HD13 LEU 24 3HD1 LEU 24 15.577 16.251 -0.379 198 HD21 LEU 24 3HD2 LEU 24 14.194 16.795 -1.623 199 HD22 LEU 24 1HD2 LEU 24 13.104 18.009 -0.957 200 HD23 LEU 24 2HD2 LEU 24 12.478 16.435 -1.441 201 H ILE 25 H ILE 25 11.119 12.469 0.377 202 HA ILE 25 HA ILE 25 13.275 10.536 0.996 203 HB ILE 25 HB ILE 25 11.935 11.544 2.965 204 HG12 ILE 25 2HG1 ILE 25 11.609 8.786 3.481 205 HG13 ILE 25 1HG1 ILE 25 12.931 8.893 2.358 206 HG21 ILE 25 1HG2 ILE 25 10.036 9.347 2.515 207 HG22 ILE 25 2HG2 ILE 25 9.785 10.745 1.451 208 HG23 ILE 25 3HG2 ILE 25 9.739 10.942 3.209 209 HD11 ILE 25 3HD1 ILE 25 14.020 9.142 4.421 210 HD12 ILE 25 1HD1 ILE 25 12.680 10.061 5.114 211 HD13 ILE 25 2HD1 ILE 25 13.765 10.820 3.943 212 H ILE 26 H ILE 26 11.482 10.852 -1.481 213 HA ILE 26 HA ILE 26 9.652 8.740 -1.534 214 HB ILE 26 HB ILE 26 10.945 10.571 -3.422 215 HG12 ILE 26 2HG1 ILE 26 8.571 10.677 -2.488 216 HG13 ILE 26 1HG1 ILE 26 8.722 10.829 -4.241 217 HG21 ILE 26 1HG2 ILE 26 10.152 7.836 -4.236 218 HG22 ILE 26 2HG2 ILE 26 11.655 8.664 -4.601 219 HG23 ILE 26 3HG2 ILE 26 10.151 9.163 -5.383 220 HD11 ILE 26 3HD1 ILE 26 7.145 9.000 -2.879 221 HD12 ILE 26 1HD1 ILE 26 8.532 8.072 -3.445 222 HD13 ILE 26 2HD1 ILE 26 7.554 8.984 -4.595 223 H LYS 27 H LYS 27 9.892 6.581 -1.843 224 HA LYS 27 HA LYS 27 12.617 5.642 -2.558 225 HB2 LYS 27 2HB LYS 27 10.712 4.056 -0.837 226 HB3 LYS 27 1HB LYS 27 12.441 3.816 -1.066 227 HG2 LYS 27 2HG LYS 27 11.247 6.296 0.197 228 HG3 LYS 27 1HG LYS 27 11.840 4.915 1.121 229 HD2 LYS 27 2HD LYS 27 13.871 5.557 -0.750 230 HD3 LYS 27 1HD LYS 27 13.345 7.084 -0.039 231 HE2 LYS 27 2HE LYS 27 14.367 4.627 1.400 232 HE3 LYS 27 1HE LYS 27 15.065 6.246 1.398 233 HZ1 LYS 27 3HZ LYS 27 13.815 6.753 3.131 234 HZ2 LYS 27 1HZ LYS 27 13.146 5.195 3.136 235 HZ3 LYS 27 2HZ LYS 27 12.405 6.433 2.239 236 H THR 28 H THR 28 12.773 3.927 -4.013 237 HA THR 28 HA THR 28 10.225 3.155 -5.303 238 HB THR 28 HB THR 28 10.984 3.808 -7.315 239 HG1 THR 28 1HG THR 28 12.440 1.970 -7.214 240 HG21 THR 28 3HG2 THR 28 13.370 4.982 -5.882 241 HG22 THR 28 1HG2 THR 28 11.749 5.657 -5.720 242 HG23 THR 28 2HG2 THR 28 12.532 5.615 -7.299 243 H SER 29 H SER 29 9.843 1.055 -5.446 244 HA SER 29 HA SER 29 12.108 -0.834 -5.200 245 HB2 SER 29 2HB SER 29 10.365 -2.374 -4.124 246 HB3 SER 29 1HB SER 29 10.928 -1.024 -3.139 247 HG SER 29 HG SER 29 8.839 -0.336 -4.736 248 H PHE 30 H PHE 30 12.007 -2.688 -6.512 249 HA PHE 30 HA PHE 30 9.790 -2.780 -8.462 250 HB2 PHE 30 2HB PHE 30 11.403 -3.245 -10.250 251 HB3 PHE 30 1HB PHE 30 11.731 -1.681 -9.507 252 HD1 PHE 30 2HD PHE 30 12.778 -5.252 -9.576 253 HD2 PHE 30 1HD PHE 30 13.775 -1.254 -8.376 254 HE1 PHE 30 2HE PHE 30 15.075 -5.996 -9.014 255 HE2 PHE 30 1HE PHE 30 16.075 -1.994 -7.812 256 HZ PHE 30 HZ PHE 30 16.725 -4.367 -8.133 257 H CYS 31 H CYS 31 9.380 -4.836 -9.391 258 HA CYS 31 HA CYS 31 10.698 -7.124 -8.078 259 HB2 CYS 31 2HB CYS 31 7.738 -7.124 -8.588 260 HB3 CYS 31 1HB CYS 31 8.678 -8.161 -7.512 261 HG CYS 31 HG CYS 31 8.089 -6.520 -5.749 262 H ALA 32 H ALA 32 10.641 -9.075 -9.263 263 HA ALA 32 HA ALA 32 10.166 -8.692 -12.150 264 HB1 ALA 32 1HB ALA 32 12.342 -9.296 -12.240 265 HB2 ALA 32 2HB ALA 32 11.773 -10.924 -11.872 266 HB3 ALA 32 3HB ALA 32 12.332 -9.873 -10.573 267 HA PRO 33 HA PRO 33 7.291 -12.054 -12.303 268 HB2 PRO 33 2HB PRO 33 8.958 -13.634 -14.167 269 HB3 PRO 33 1HB PRO 33 7.348 -12.937 -14.416 270 HG2 PRO 33 2HG PRO 33 9.542 -11.952 -15.605 271 HG3 PRO 33 1HG PRO 33 8.177 -10.934 -15.122 272 HD2 PRO 33 2HD PRO 33 10.849 -11.245 -13.813 273 HD3 PRO 33 1HD PRO 33 9.818 -9.804 -13.952 274 H GLY 34 H GLY 34 6.997 -13.593 -10.762 275 HA2 GLY 34 2HA GLY 34 7.391 -15.430 -9.415 276 HA3 GLY 34 1HA GLY 34 8.756 -15.829 -10.454 277 H GLU 35 H GLU 35 9.066 -12.653 -9.535 278 HA GLU 35 HA GLU 35 11.280 -13.240 -7.792 279 HB2 GLU 35 2HB GLU 35 10.809 -11.221 -9.486 280 HB3 GLU 35 1HB GLU 35 10.288 -10.483 -7.977 281 HG2 GLU 35 2HG GLU 35 12.537 -9.982 -7.903 282 HG3 GLU 35 1HG GLU 35 12.518 -11.530 -7.070 283 H PHE 36 H PHE 36 11.311 -13.347 -5.645 284 HA PHE 36 HA PHE 36 8.845 -12.975 -4.163 285 HB2 PHE 36 2HB PHE 36 11.475 -14.245 -3.681 286 HB3 PHE 36 1HB PHE 36 10.635 -13.616 -2.263 287 HD1 PHE 36 1HD PHE 36 8.074 -14.206 -2.099 288 HD2 PHE 36 2HD PHE 36 10.914 -16.364 -4.491 289 HE1 PHE 36 1HE PHE 36 6.562 -16.171 -2.121 290 HE2 PHE 36 2HE PHE 36 9.401 -18.330 -4.514 291 HZ PHE 36 HZ PHE 36 7.225 -18.233 -3.328 292 H LEU 37 H LEU 37 8.266 -11.108 -3.295 293 HA LEU 37 HA LEU 37 10.271 -9.044 -2.745 294 HB2 LEU 37 2HB LEU 37 7.839 -8.812 -3.869 295 HB3 LEU 37 1HB LEU 37 7.400 -8.574 -2.177 296 HG LEU 37 HG LEU 37 9.147 -6.820 -1.992 297 HD11 LEU 37 1HD1 LEU 37 10.787 -7.082 -3.570 298 HD12 LEU 37 2HD1 LEU 37 9.746 -6.014 -4.506 299 HD13 LEU 37 3HD1 LEU 37 9.675 -7.758 -4.761 300 HD21 LEU 37 3HD2 LEU 37 7.929 -5.123 -3.276 301 HD22 LEU 37 1HD2 LEU 37 6.786 -6.264 -2.568 302 HD23 LEU 37 2HD2 LEU 37 7.200 -6.378 -4.278 303 H ILE 38 H ILE 38 7.624 -10.761 -1.057 304 HA ILE 38 HA ILE 38 8.978 -10.153 1.458 305 HB ILE 38 HB ILE 38 6.459 -9.264 0.800 306 HG12 ILE 38 2HG1 ILE 38 6.367 -9.401 3.517 307 HG13 ILE 38 1HG1 ILE 38 8.097 -9.546 3.236 308 HG21 ILE 38 1HG2 ILE 38 6.241 -11.647 2.624 309 HG22 ILE 38 2HG2 ILE 38 5.632 -11.591 0.982 310 HG23 ILE 38 3HG2 ILE 38 4.930 -10.550 2.203 311 HD11 ILE 38 3HD1 ILE 38 6.281 -7.262 2.626 312 HD12 ILE 38 1HD1 ILE 38 7.601 -7.579 1.494 313 HD13 ILE 38 2HD1 ILE 38 7.951 -7.247 3.196 314 H ARG 39 H ARG 39 9.081 -11.733 3.009 315 HA ARG 39 HA ARG 39 8.164 -14.403 2.167 316 HB2 ARG 39 2HB ARG 39 10.553 -14.230 1.703 317 HB3 ARG 39 1HB ARG 39 10.823 -13.688 3.343 318 HG2 ARG 39 2HG ARG 39 11.348 -16.037 3.260 319 HG3 ARG 39 1HG ARG 39 9.855 -15.825 4.172 320 HD2 ARG 39 2HD ARG 39 8.666 -17.002 2.659 321 HD3 ARG 39 1HD ARG 39 9.334 -16.056 1.330 322 HE ARG 39 HE ARG 39 11.076 -18.111 2.470 323 HH11 ARG 39 1HH2 ARG 39 8.844 -17.115 0.022 324 HH12 ARG 39 2HH2 ARG 39 9.348 -18.315 -1.120 325 HH21 ARG 39 1HH1 ARG 39 11.745 -19.687 0.977 326 HH22 ARG 39 2HH1 ARG 39 10.990 -19.772 -0.580 327 H GLN 40 H GLN 40 6.613 -14.812 3.566 328 HA GLN 40 HA GLN 40 5.582 -14.109 5.755 329 HB2 GLN 40 2HB GLN 40 5.048 -16.331 5.247 330 HB3 GLN 40 1HB GLN 40 6.723 -16.856 5.362 331 HG2 GLN 40 2HG GLN 40 6.710 -16.888 7.685 332 HG3 GLN 40 1HG GLN 40 5.414 -15.699 7.794 333 HE21 GLN 40 1HE2 GLN 40 3.349 -16.529 8.187 334 HE22 GLN 40 2HE2 GLN 40 2.910 -18.156 7.982 335 H GLY 41 H GLY 41 6.045 -13.233 7.665 336 HA2 GLY 41 2HA GLY 41 7.132 -13.065 9.751 337 HA3 GLY 41 1HA GLY 41 8.457 -14.030 9.112 338 H ASP 42 H ASP 42 7.573 -11.704 6.875 339 HA ASP 42 HA ASP 42 10.026 -10.262 7.213 340 HB2 ASP 42 2HB ASP 42 7.746 -10.211 5.314 341 HB3 ASP 42 1HB ASP 42 8.689 -8.728 5.463 342 H ALA 43 H ALA 43 9.706 -7.694 6.908 343 HA ALA 43 HA ALA 43 7.976 -6.812 9.140 344 HB1 ALA 43 1HB ALA 43 10.851 -6.345 8.586 345 HB2 ALA 43 2HB ALA 43 10.002 -6.463 10.127 346 HB3 ALA 43 3HB ALA 43 9.931 -4.969 9.194 347 H LEU 44 H LEU 44 6.629 -5.170 8.726 348 HA LEU 44 HA LEU 44 6.787 -3.855 6.100 349 HB2 LEU 44 2HB LEU 44 4.653 -4.816 6.520 350 HB3 LEU 44 1HB LEU 44 4.564 -4.078 8.123 351 HG LEU 44 HG LEU 44 4.399 -1.875 7.183 352 HD11 LEU 44 1HD1 LEU 44 5.227 -3.306 4.665 353 HD12 LEU 44 2HD1 LEU 44 5.953 -1.878 5.406 354 HD13 LEU 44 3HD1 LEU 44 4.398 -1.751 4.581 355 HD21 LEU 44 3HD2 LEU 44 2.717 -3.997 5.895 356 HD22 LEU 44 1HD2 LEU 44 2.499 -2.314 5.421 357 HD23 LEU 44 2HD2 LEU 44 2.253 -2.796 7.099 358 H GLN 45 H GLN 45 7.892 -1.990 6.083 359 HA GLN 45 HA GLN 45 7.509 -0.150 8.367 360 HB2 GLN 45 2HB GLN 45 9.800 -1.245 8.210 361 HB3 GLN 45 1HB GLN 45 10.031 -0.326 6.721 362 HG2 GLN 45 2HG GLN 45 9.129 1.632 8.387 363 HG3 GLN 45 1HG GLN 45 10.000 0.608 9.527 364 HE21 GLN 45 1HE2 GLN 45 10.366 2.802 6.812 365 HE22 GLN 45 2HE2 GLN 45 12.064 2.803 6.800 366 H ALA 46 H ALA 46 7.502 -0.617 4.954 367 HA ALA 46 HA ALA 46 6.992 2.273 4.573 368 HB1 ALA 46 1HB ALA 46 7.899 0.789 2.206 369 HB2 ALA 46 2HB ALA 46 9.097 0.866 3.496 370 HB3 ALA 46 3HB ALA 46 8.428 2.352 2.826 371 H ILE 47 H ILE 47 5.385 2.858 3.085 372 HA ILE 47 HA ILE 47 3.309 0.844 2.705 373 HB ILE 47 HB ILE 47 2.613 3.047 3.476 374 HG12 ILE 47 2HG1 ILE 47 1.020 3.614 1.598 375 HG13 ILE 47 1HG1 ILE 47 1.865 2.431 0.602 376 HG21 ILE 47 1HG2 ILE 47 3.340 4.357 0.905 377 HG22 ILE 47 2HG2 ILE 47 4.658 4.048 2.036 378 HG23 ILE 47 3HG2 ILE 47 3.279 5.028 2.535 379 HD11 ILE 47 3HD1 ILE 47 0.889 0.678 1.655 380 HD12 ILE 47 1HD1 ILE 47 -0.264 1.865 2.266 381 HD13 ILE 47 2HD1 ILE 47 1.125 1.397 3.248 382 H TYR 48 H TYR 48 2.893 -0.163 0.798 383 HA TYR 48 HA TYR 48 4.617 0.553 -1.482 384 HB2 TYR 48 2HB TYR 48 3.155 -1.982 -0.780 385 HB3 TYR 48 1HB TYR 48 4.068 -1.730 -2.249 386 HD1 TYR 48 2HD TYR 48 5.304 -0.477 1.074 387 HD2 TYR 48 1HD TYR 48 5.476 -3.511 -1.911 388 HE1 TYR 48 2HE TYR 48 7.356 -1.354 2.117 389 HE2 TYR 48 1HE TYR 48 7.548 -4.420 -0.880 390 HH TYR 48 HH TYR 48 8.940 -2.901 2.037 391 H PHE 49 H PHE 49 3.813 0.416 -3.576 392 HA PHE 49 HA PHE 49 0.949 0.171 -4.068 393 HB2 PHE 49 2HB PHE 49 2.017 2.717 -3.745 394 HB3 PHE 49 1HB PHE 49 2.056 2.459 -5.489 395 HD1 PHE 49 1HD PHE 49 -0.113 1.709 -6.682 396 HD2 PHE 49 2HD PHE 49 -0.007 3.175 -2.629 397 HE1 PHE 49 1HE PHE 49 -2.536 2.194 -6.784 398 HE2 PHE 49 2HE PHE 49 -2.435 3.646 -2.744 399 HZ PHE 49 HZ PHE 49 -3.700 3.156 -4.821 400 H VAL 50 H VAL 50 0.595 -0.696 -6.072 401 HA VAL 50 HA VAL 50 2.964 -1.208 -7.707 402 HB VAL 50 HB VAL 50 0.665 -2.713 -6.857 403 HG11 VAL 50 1HG1 VAL 50 -0.088 -2.087 -9.106 404 HG12 VAL 50 2HG1 VAL 50 0.171 -3.817 -8.957 405 HG13 VAL 50 3HG1 VAL 50 1.354 -2.809 -9.798 406 HG21 VAL 50 3HG2 VAL 50 2.136 -4.595 -7.611 407 HG22 VAL 50 1HG2 VAL 50 2.949 -3.463 -6.531 408 HG23 VAL 50 2HG2 VAL 50 3.258 -3.402 -8.267 409 H CYS 51 H CYS 51 3.121 -0.428 -9.753 410 HA CYS 51 HA CYS 51 0.997 1.412 -10.597 411 HB2 CYS 51 2HB CYS 51 3.903 1.232 -10.987 412 HB3 CYS 51 1HB CYS 51 3.010 1.675 -12.442 413 HG CYS 51 HG CYS 51 1.861 3.405 -10.402 414 H SER 52 H SER 52 2.769 -1.437 -11.699 415 HA SER 52 HA SER 52 0.589 -2.257 -13.378 416 HB2 SER 52 2HB SER 52 1.581 -2.031 -15.514 417 HB3 SER 52 1HB SER 52 1.846 -0.474 -14.735 418 HG SER 52 HG SER 52 3.890 -0.837 -14.998 419 H GLY 53 H GLY 53 1.081 -4.326 -14.485 420 HA2 GLY 53 2HA GLY 53 2.558 -6.222 -14.772 421 HA3 GLY 53 1HA GLY 53 3.348 -5.773 -13.265 422 H SER 54 H SER 54 2.955 -8.059 -12.684 423 HA SER 54 HA SER 54 0.285 -8.338 -11.455 424 HB2 SER 54 2HB SER 54 1.453 -10.852 -12.438 425 HB3 SER 54 1HB SER 54 -0.213 -10.281 -12.496 426 HG SER 54 HG SER 54 0.171 -9.776 -14.489 427 H MET 55 H MET 55 0.275 -9.280 -9.445 428 HA MET 55 HA MET 55 2.582 -10.727 -8.464 429 HB2 MET 55 2HB MET 55 3.302 -8.364 -8.200 430 HB3 MET 55 1HB MET 55 1.886 -8.071 -7.194 431 HG2 MET 55 2HG MET 55 2.765 -9.172 -5.403 432 HG3 MET 55 1HG MET 55 3.521 -10.407 -6.408 433 HE1 MET 55 3HE MET 55 4.889 -6.098 -6.134 434 HE2 MET 55 1HE MET 55 4.309 -6.769 -4.604 435 HE3 MET 55 2HE MET 55 3.269 -6.781 -6.025 436 H GLU 56 H GLU 56 2.252 -11.517 -6.237 437 HA GLU 56 HA GLU 56 -0.358 -11.254 -5.052 438 HB2 GLU 56 2HB GLU 56 -0.878 -13.722 -5.342 439 HB3 GLU 56 1HB GLU 56 -1.080 -12.711 -6.769 440 HG2 GLU 56 2HG GLU 56 0.124 -14.832 -7.275 441 HG3 GLU 56 1HG GLU 56 1.100 -13.408 -7.640 442 H VAL 57 H VAL 57 -0.578 -12.434 -3.060 443 HA VAL 57 HA VAL 57 2.024 -13.055 -1.870 444 HB VAL 57 HB VAL 57 1.289 -12.067 -0.008 445 HG11 VAL 57 1HG1 VAL 57 -1.093 -11.518 -1.781 446 HG12 VAL 57 2HG1 VAL 57 0.309 -10.483 -1.525 447 HG13 VAL 57 3HG1 VAL 57 -0.848 -10.740 -0.218 448 HG21 VAL 57 3HG2 VAL 57 -0.826 -12.734 1.099 449 HG22 VAL 57 1HG2 VAL 57 0.149 -14.129 0.640 450 HG23 VAL 57 2HG2 VAL 57 -1.258 -13.682 -0.326 451 H LEU 58 H LEU 58 2.616 -15.051 -1.388 452 HA LEU 58 HA LEU 58 0.659 -17.207 -1.804 453 HB2 LEU 58 2HB LEU 58 3.019 -16.859 -3.020 454 HB3 LEU 58 1HB LEU 58 3.556 -17.796 -1.624 455 HG LEU 58 HG LEU 58 2.987 -19.341 -3.409 456 HD11 LEU 58 1HD1 LEU 58 2.243 -19.757 -0.968 457 HD12 LEU 58 2HD1 LEU 58 1.499 -20.750 -2.221 458 HD13 LEU 58 3HD1 LEU 58 0.618 -19.384 -1.539 459 HD21 LEU 58 3HD2 LEU 58 1.253 -19.016 -4.830 460 HD22 LEU 58 1HD2 LEU 58 1.130 -17.408 -4.116 461 HD23 LEU 58 2HD2 LEU 58 0.123 -18.723 -3.508 462 H LYS 59 H LYS 59 -0.028 -18.391 -0.194 463 HA LYS 59 HA LYS 59 1.676 -19.299 1.896 464 HB2 LYS 59 2HB LYS 59 0.305 -16.858 2.397 465 HB3 LYS 59 1HB LYS 59 -0.450 -18.095 3.386 466 HG2 LYS 59 2HG LYS 59 2.482 -17.384 3.309 467 HG3 LYS 59 1HG LYS 59 1.358 -17.165 4.653 468 HD2 LYS 59 2HD LYS 59 1.880 -19.203 5.405 469 HD3 LYS 59 1HD LYS 59 1.231 -19.899 3.927 470 HE2 LYS 59 2HE LYS 59 3.437 -20.673 3.874 471 HE3 LYS 59 1HE LYS 59 3.572 -19.199 2.915 472 HZ1 LYS 59 3HZ LYS 59 5.229 -18.823 4.387 473 HZ2 LYS 59 1HZ LYS 59 4.525 -19.758 5.614 474 HZ3 LYS 59 2HZ LYS 59 3.952 -18.188 5.311 475 H ASP 60 H ASP 60 0.841 -21.106 2.914 476 HA ASP 60 HA ASP 60 -0.479 -22.957 3.180 477 HB2 ASP 60 2HB ASP 60 -2.584 -20.845 2.744 478 HB3 ASP 60 1HB ASP 60 -2.991 -22.529 3.073 479 H ASN 61 H ASN 61 0.685 -22.606 0.639 480 HA ASN 61 HA ASN 61 0.644 -23.667 -1.395 481 HB2 ASN 61 2HB ASN 61 -1.135 -25.136 0.201 482 HB3 ASN 61 1HB ASN 61 -1.977 -24.874 -1.324 483 HD21 ASN 61 1HD2 ASN 61 -1.323 -26.142 -3.098 484 HD22 ASN 61 2HD2 ASN 61 0.044 -27.146 -3.094 485 H THR 62 H THR 62 -1.833 -21.505 -0.441 486 HA THR 62 HA THR 62 -2.476 -21.061 -3.293 487 HB THR 62 HB THR 62 -4.360 -20.465 -1.034 488 HG1 THR 62 1HG THR 62 -4.339 -22.617 -1.040 489 HG21 THR 62 3HG2 THR 62 -4.670 -20.632 -4.045 490 HG22 THR 62 1HG2 THR 62 -4.742 -19.150 -3.080 491 HG23 THR 62 2HG2 THR 62 -6.001 -20.383 -2.919 492 H VAL 63 H VAL 63 -3.055 -18.905 -3.850 493 HA VAL 63 HA VAL 63 -1.284 -16.983 -2.722 494 HB VAL 63 HB VAL 63 -3.077 -15.575 -4.268 495 HG11 VAL 63 1HG1 VAL 63 -0.721 -17.201 -5.254 496 HG12 VAL 63 2HG1 VAL 63 -0.577 -15.666 -4.400 497 HG13 VAL 63 3HG1 VAL 63 -1.362 -15.730 -5.978 498 HG21 VAL 63 3HG2 VAL 63 -4.247 -17.764 -4.701 499 HG22 VAL 63 1HG2 VAL 63 -2.749 -18.355 -5.415 500 HG23 VAL 63 2HG2 VAL 63 -3.611 -17.010 -6.164 501 H LEU 64 H LEU 64 -1.667 -15.836 -0.889 502 HA LEU 64 HA LEU 64 -4.259 -15.922 0.346 503 HB2 LEU 64 2HB LEU 64 -1.609 -15.254 1.161 504 HB3 LEU 64 1HB LEU 64 -2.643 -13.873 1.513 505 HG LEU 64 HG LEU 64 -4.284 -15.647 2.498 506 HD11 LEU 64 1HD1 LEU 64 -3.492 -17.759 2.111 507 HD12 LEU 64 2HD1 LEU 64 -2.536 -17.438 3.558 508 HD13 LEU 64 3HD1 LEU 64 -1.821 -17.214 1.964 509 HD21 LEU 64 3HD2 LEU 64 -3.404 -14.182 4.070 510 HD22 LEU 64 1HD2 LEU 64 -1.736 -14.585 3.667 511 HD23 LEU 64 2HD2 LEU 64 -2.705 -15.702 4.627 512 H ALA 65 H ALA 65 -2.726 -13.952 -1.972 513 HA ALA 65 HA ALA 65 -5.101 -12.309 -2.141 514 HB1 ALA 65 1HB ALA 65 -4.374 -10.455 -1.125 515 HB2 ALA 65 2HB ALA 65 -2.936 -10.429 -2.142 516 HB3 ALA 65 3HB ALA 65 -2.926 -11.323 -0.620 517 H ILE 66 H ILE 66 -5.491 -11.782 -4.174 518 HA ILE 66 HA ILE 66 -3.326 -12.156 -6.151 519 HB ILE 66 HB ILE 66 -6.301 -12.658 -6.310 520 HG12 ILE 66 2HG1 ILE 66 -5.276 -14.863 -7.267 521 HG13 ILE 66 1HG1 ILE 66 -3.780 -14.302 -6.520 522 HG21 ILE 66 1HG2 ILE 66 -5.761 -13.255 -8.737 523 HG22 ILE 66 2HG2 ILE 66 -4.255 -12.363 -8.518 524 HG23 ILE 66 3HG2 ILE 66 -5.803 -11.533 -8.358 525 HD11 ILE 66 3HD1 ILE 66 -4.873 -14.178 -4.339 526 HD12 ILE 66 1HD1 ILE 66 -5.095 -15.793 -5.007 527 HD13 ILE 66 2HD1 ILE 66 -6.418 -14.626 -5.058 528 H LEU 67 H LEU 67 -2.593 -10.100 -6.684 529 HA LEU 67 HA LEU 67 -4.677 -8.107 -7.287 530 HB2 LEU 67 2HB LEU 67 -2.684 -6.507 -6.442 531 HB3 LEU 67 1HB LEU 67 -3.993 -7.067 -5.408 532 HG LEU 67 HG LEU 67 -2.513 -9.075 -4.854 533 HD11 LEU 67 1HD1 LEU 67 -1.052 -8.317 -6.945 534 HD12 LEU 67 2HD1 LEU 67 -0.320 -9.141 -5.571 535 HD13 LEU 67 3HD1 LEU 67 -0.203 -7.388 -5.712 536 HD21 LEU 67 3HD2 LEU 67 -1.243 -6.444 -4.091 537 HD22 LEU 67 1HD2 LEU 67 -1.409 -7.905 -3.117 538 HD23 LEU 67 2HD2 LEU 67 -2.826 -6.917 -3.473 539 H GLY 68 H GLY 68 -3.989 -6.290 -8.607 540 HA2 GLY 68 2HA GLY 68 -1.807 -6.962 -10.483 541 HA3 GLY 68 1HA GLY 68 -3.392 -6.482 -11.074 542 H LYS 69 H LYS 69 -2.509 -4.681 -12.153 543 HA LYS 69 HA LYS 69 -0.826 -2.733 -11.165 544 HB2 LYS 69 2HB LYS 69 -3.108 -2.016 -12.959 545 HB3 LYS 69 1HB LYS 69 -1.432 -1.494 -13.010 546 HG2 LYS 69 2HG LYS 69 -0.830 -3.924 -13.535 547 HG3 LYS 69 1HG LYS 69 -2.555 -4.180 -13.804 548 HD2 LYS 69 2HD LYS 69 -2.258 -1.997 -15.319 549 HD3 LYS 69 1HD LYS 69 -0.601 -2.596 -15.411 550 HE2 LYS 69 2HE LYS 69 -3.118 -4.116 -16.145 551 HE3 LYS 69 1HE LYS 69 -1.867 -3.549 -17.252 552 HZ1 LYS 69 3HZ LYS 69 -1.955 -5.955 -15.831 553 HZ2 LYS 69 1HZ LYS 69 -0.651 -5.053 -15.227 554 HZ3 LYS 69 2HZ LYS 69 -0.746 -5.402 -16.888 555 H GLY 70 H GLY 70 -0.987 -0.999 -9.910 556 HA2 GLY 70 2HA GLY 70 -1.938 0.793 -8.791 557 HA3 GLY 70 1HA GLY 70 -3.519 0.238 -9.296 558 H ASP 71 H ASP 71 -2.613 -2.518 -8.177 559 HA ASP 71 HA ASP 71 -4.052 -2.510 -5.834 560 HB2 ASP 71 2HB ASP 71 -3.211 -4.636 -5.419 561 HB3 ASP 71 1HB ASP 71 -2.980 -4.472 -7.159 562 H LEU 72 H LEU 72 -3.071 -3.076 -3.611 563 HA LEU 72 HA LEU 72 -0.799 -1.295 -3.014 564 HB2 LEU 72 2HB LEU 72 -2.982 -0.177 -2.484 565 HB3 LEU 72 1HB LEU 72 -3.305 -1.471 -1.330 566 HG LEU 72 HG LEU 72 -0.918 -0.856 -0.410 567 HD11 LEU 72 1HD1 LEU 72 -0.570 0.761 -2.347 568 HD12 LEU 72 2HD1 LEU 72 -0.266 1.426 -0.741 569 HD13 LEU 72 3HD1 LEU 72 -1.771 1.802 -1.580 570 HD21 LEU 72 3HD2 LEU 72 -3.434 0.785 0.000 571 HD22 LEU 72 1HD2 LEU 72 -2.018 0.904 1.045 572 HD23 LEU 72 2HD2 LEU 72 -2.908 -0.616 0.935 573 H ILE 73 H ILE 73 0.605 -2.016 -1.492 574 HA ILE 73 HA ILE 73 -0.053 -4.570 -0.202 575 HB ILE 73 HB ILE 73 1.567 -5.503 -1.411 576 HG12 ILE 73 2HG1 ILE 73 3.898 -5.144 -0.676 577 HG13 ILE 73 1HG1 ILE 73 3.384 -3.736 0.239 578 HG21 ILE 73 1HG2 ILE 73 1.869 -2.761 -2.231 579 HG22 ILE 73 2HG2 ILE 73 1.875 -4.229 -3.197 580 HG23 ILE 73 3HG2 ILE 73 3.348 -3.703 -2.386 581 HD11 ILE 73 3HD1 ILE 73 3.036 -6.598 0.848 582 HD12 ILE 73 1HD1 ILE 73 1.604 -5.605 1.130 583 HD13 ILE 73 2HD1 ILE 73 3.124 -5.215 1.937 584 H GLY 74 H GLY 74 -0.090 -4.492 1.826 585 HA2 GLY 74 2HA GLY 74 1.429 -4.021 3.845 586 HA3 GLY 74 1HA GLY 74 1.289 -2.347 3.310 587 H SER 75 H SER 75 0.365 -3.637 5.841 588 HA SER 75 HA SER 75 -2.498 -3.789 5.710 589 HB2 SER 75 2HB SER 75 -1.902 -3.409 8.360 590 HB3 SER 75 1HB SER 75 -1.956 -4.971 7.546 591 HG SER 75 HG SER 75 0.256 -3.323 8.139 592 H ASP 76 H ASP 76 -4.004 -2.300 6.170 593 HA ASP 76 HA ASP 76 -3.388 0.452 5.940 594 HB2 ASP 76 2HB ASP 76 -5.749 0.826 6.343 595 HB3 ASP 76 1HB ASP 76 -5.563 -0.579 5.295 596 H SER 77 H SER 77 -4.830 1.819 7.771 597 HA SER 77 HA SER 77 -4.806 2.680 9.906 598 HB2 SER 77 2HB SER 77 -5.239 0.130 10.404 599 HB3 SER 77 1HB SER 77 -3.574 0.166 10.979 600 HG SER 77 HG SER 77 -4.262 2.040 12.246 601 H LEU 78 H LEU 78 -2.696 3.203 8.179 602 HA LEU 78 HA LEU 78 -0.115 2.725 8.982 603 HB2 LEU 78 2HB LEU 78 -1.475 4.993 7.620 604 HB3 LEU 78 1HB LEU 78 0.164 5.269 8.210 605 HG LEU 78 HG LEU 78 0.973 3.318 6.975 606 HD11 LEU 78 1HD1 LEU 78 -1.931 2.845 6.710 607 HD12 LEU 78 2HD1 LEU 78 -0.600 1.689 6.744 608 HD13 LEU 78 3HD1 LEU 78 -0.994 2.537 5.249 609 HD21 LEU 78 3HD2 LEU 78 0.216 4.119 4.601 610 HD22 LEU 78 1HD2 LEU 78 1.124 5.228 5.621 611 HD23 LEU 78 2HD2 LEU 78 -0.630 5.396 5.482 612 H THR 79 H THR 79 -2.491 4.108 10.888 613 HA THR 79 HA THR 79 -0.617 5.722 12.462 614 HB THR 79 HB THR 79 -3.587 5.392 12.895 615 HG1 THR 79 1HG THR 79 -3.905 6.915 11.442 616 HG21 THR 79 3HG2 THR 79 -2.351 7.941 13.531 617 HG22 THR 79 1HG2 THR 79 -1.561 6.614 14.379 618 HG23 THR 79 2HG2 THR 79 -3.296 6.871 14.566 619 H LYS 80 H LYS 80 -1.422 2.567 12.303 620 HA LYS 80 HA LYS 80 -1.859 2.048 15.120 621 HB2 LYS 80 2HB LYS 80 -1.993 -0.256 14.512 622 HB3 LYS 80 1HB LYS 80 -2.819 0.646 13.242 623 HG2 LYS 80 2HG LYS 80 -0.798 0.541 11.838 624 HG3 LYS 80 1HG LYS 80 0.050 -0.334 13.107 625 HD2 LYS 80 2HD LYS 80 -2.568 -1.434 12.194 626 HD3 LYS 80 1HD LYS 80 -1.181 -1.620 11.120 627 HE2 LYS 80 2HE LYS 80 -0.088 -3.041 12.551 628 HE3 LYS 80 1HE LYS 80 -0.729 -2.250 13.990 629 HZ1 LYS 80 3HZ LYS 80 -1.600 -4.545 13.490 630 HZ2 LYS 80 1HZ LYS 80 -2.424 -3.862 12.176 631 HZ3 LYS 80 2HZ LYS 80 -2.773 -3.347 13.757 632 H GLU 81 H GLU 81 0.598 3.449 14.281 633 HA GLU 81 HA GLU 81 2.973 2.453 14.083 634 HB2 GLU 81 2HB GLU 81 2.486 3.718 16.763 635 HB3 GLU 81 1HB GLU 81 3.845 3.940 15.660 636 HG2 GLU 81 2HG GLU 81 1.950 4.835 14.035 637 HG3 GLU 81 1HG GLU 81 1.101 5.131 15.552 638 H GLN 82 H GLN 82 3.440 0.330 14.307 639 HA GLN 82 HA GLN 82 4.205 -0.693 16.816 640 HB2 GLN 82 2HB GLN 82 1.481 -0.880 16.539 641 HB3 GLN 82 1HB GLN 82 2.040 -2.437 15.941 642 HG2 GLN 82 2HG GLN 82 1.622 -2.512 18.363 643 HG3 GLN 82 1HG GLN 82 3.310 -2.812 17.966 644 HE21 GLN 82 1HE2 GLN 82 1.083 -0.422 19.360 645 HE22 GLN 82 2HE2 GLN 82 2.290 0.545 20.058 646 H VAL 83 H VAL 83 4.657 -3.141 16.639 647 HA VAL 83 HA VAL 83 6.220 -3.542 14.277 648 HB VAL 83 HB VAL 83 7.003 -5.503 15.311 649 HG11 VAL 83 1HG1 VAL 83 6.099 -3.556 17.451 650 HG12 VAL 83 2HG1 VAL 83 7.648 -3.563 16.606 651 HG13 VAL 83 3HG1 VAL 83 7.253 -4.860 17.733 652 HG21 VAL 83 3HG2 VAL 83 5.637 -6.410 17.345 653 HG22 VAL 83 1HG2 VAL 83 5.079 -6.794 15.717 654 HG23 VAL 83 2HG2 VAL 83 4.297 -5.509 16.638 655 H ILE 84 H ILE 84 5.366 -4.049 12.376 656 HA ILE 84 HA ILE 84 3.163 -6.025 12.292 657 HB ILE 84 HB ILE 84 3.223 -4.450 9.904 658 HG12 ILE 84 2HG1 ILE 84 2.887 -2.784 12.413 659 HG13 ILE 84 1HG1 ILE 84 4.376 -2.801 11.465 660 HG21 ILE 84 1HG2 ILE 84 1.234 -5.561 10.663 661 HG22 ILE 84 2HG2 ILE 84 0.917 -3.829 10.762 662 HG23 ILE 84 3HG2 ILE 84 1.298 -4.740 12.224 663 HD11 ILE 84 3HD1 ILE 84 2.871 -0.926 10.819 664 HD12 ILE 84 1HD1 ILE 84 1.639 -2.103 10.362 665 HD13 ILE 84 2HD1 ILE 84 3.167 -2.039 9.484 666 H LYS 85 H LYS 85 4.040 -7.892 11.637 667 HA LYS 85 HA LYS 85 6.059 -7.787 9.488 668 HB2 LYS 85 2HB LYS 85 6.322 -10.293 10.408 669 HB3 LYS 85 1HB LYS 85 7.197 -8.932 11.097 670 HG2 LYS 85 2HG LYS 85 5.558 -8.664 12.845 671 HG3 LYS 85 1HG LYS 85 4.515 -9.869 12.098 672 HD2 LYS 85 2HD LYS 85 5.533 -11.317 13.528 673 HD3 LYS 85 1HD LYS 85 6.842 -11.279 12.348 674 HE2 LYS 85 2HE LYS 85 6.653 -9.935 15.004 675 HE3 LYS 85 1HE LYS 85 8.024 -10.732 14.235 676 HZ1 LYS 85 3HZ LYS 85 6.926 -8.046 13.663 677 HZ2 LYS 85 1HZ LYS 85 7.978 -8.839 12.595 678 HZ3 LYS 85 2HZ LYS 85 8.498 -8.454 14.165 679 H THR 86 H THR 86 5.730 -8.851 7.619 680 HA THR 86 HA THR 86 3.070 -9.663 6.969 681 HB THR 86 HB THR 86 5.536 -10.280 5.344 682 HG1 THR 86 1HG THR 86 5.209 -8.183 4.462 683 HG21 THR 86 3HG2 THR 86 2.601 -10.122 4.894 684 HG22 THR 86 1HG2 THR 86 3.802 -11.165 4.135 685 HG23 THR 86 2HG2 THR 86 3.629 -9.490 3.610 686 H ASN 87 H ASN 87 2.181 -11.519 7.570 687 HA ASN 87 HA ASN 87 3.729 -13.746 8.494 688 HB2 ASN 87 2HB ASN 87 1.224 -12.905 9.012 689 HB3 ASN 87 1HB ASN 87 0.873 -14.140 7.803 690 HD21 ASN 87 1HD2 ASN 87 0.201 -15.927 9.036 691 HD22 ASN 87 2HD2 ASN 87 1.089 -16.584 10.326 692 H ALA 88 H ALA 88 2.087 -12.934 5.489 693 HA ALA 88 HA ALA 88 2.651 -15.568 4.384 694 HB1 ALA 88 1HB ALA 88 0.885 -13.303 3.653 695 HB2 ALA 88 2HB ALA 88 0.585 -15.038 3.551 696 HB3 ALA 88 3HB ALA 88 1.556 -14.234 2.311 697 H ASN 89 H ASN 89 3.144 -15.133 1.809 698 HA ASN 89 HA ASN 89 5.660 -13.557 1.798 699 HB2 ASN 89 2HB ASN 89 5.062 -16.001 0.099 700 HB3 ASN 89 1HB ASN 89 6.617 -15.210 0.333 701 HD21 ASN 89 1HD2 ASN 89 6.607 -17.893 0.893 702 HD22 ASN 89 2HD2 ASN 89 6.619 -18.165 2.568 703 H VAL 90 H VAL 90 6.246 -12.818 -0.467 704 HA VAL 90 HA VAL 90 3.901 -12.309 -2.133 705 HB VAL 90 HB VAL 90 5.742 -10.406 -0.809 706 HG11 VAL 90 1HG1 VAL 90 6.219 -10.108 -3.150 707 HG12 VAL 90 2HG1 VAL 90 5.272 -8.736 -2.575 708 HG13 VAL 90 3HG1 VAL 90 4.507 -10.005 -3.539 709 HG21 VAL 90 3HG2 VAL 90 3.470 -10.567 0.021 710 HG22 VAL 90 1HG2 VAL 90 2.816 -10.421 -1.610 711 HG23 VAL 90 2HG2 VAL 90 3.612 -9.042 -0.852 712 H LYS 91 H LYS 91 4.238 -12.605 -4.229 713 HA LYS 91 HA LYS 91 6.988 -12.570 -5.224 714 HB2 LYS 91 2HB LYS 91 6.516 -14.917 -4.671 715 HB3 LYS 91 1HB LYS 91 5.069 -14.862 -5.679 716 HG2 LYS 91 2HG LYS 91 6.473 -14.312 -7.644 717 HG3 LYS 91 1HG LYS 91 7.914 -14.418 -6.631 718 HD2 LYS 91 2HD LYS 91 7.820 -16.559 -7.577 719 HD3 LYS 91 1HD LYS 91 7.004 -16.797 -6.032 720 HE2 LYS 91 2HE LYS 91 4.853 -16.755 -7.033 721 HE3 LYS 91 1HE LYS 91 5.475 -16.064 -8.531 722 HZ1 LYS 91 3HZ LYS 91 5.008 -18.445 -8.723 723 HZ2 LYS 91 1HZ LYS 91 6.139 -18.768 -7.501 724 HZ3 LYS 91 2HZ LYS 91 6.653 -18.101 -8.975 725 H ALA 92 H ALA 92 7.035 -11.240 -6.900 726 HA ALA 92 HA ALA 92 4.717 -10.314 -8.243 727 HB1 ALA 92 1HB ALA 92 7.607 -9.883 -8.393 728 HB2 ALA 92 2HB ALA 92 6.285 -8.753 -8.686 729 HB3 ALA 92 3HB ALA 92 6.823 -9.835 -9.971 730 H LEU 93 H LEU 93 3.521 -11.458 -9.614 731 HA LEU 93 HA LEU 93 4.387 -13.928 -10.746 732 HB2 LEU 93 2HB LEU 93 1.930 -12.387 -10.572 733 HB3 LEU 93 1HB LEU 93 2.141 -13.085 -12.178 734 HG LEU 93 HG LEU 93 2.371 -15.301 -11.273 735 HD11 LEU 93 1HD1 LEU 93 3.524 -15.371 -9.312 736 HD12 LEU 93 2HD1 LEU 93 1.932 -15.217 -8.567 737 HD13 LEU 93 3HD1 LEU 93 2.937 -13.787 -8.804 738 HD21 LEU 93 3HD2 LEU 93 0.235 -15.161 -9.595 739 HD22 LEU 93 1HD2 LEU 93 0.093 -15.084 -11.351 740 HD23 LEU 93 2HD2 LEU 93 0.103 -13.598 -10.401 741 H THR 94 H THR 94 3.856 -10.661 -11.952 742 HA THR 94 HA THR 94 5.504 -11.276 -14.319 743 HB THR 94 HB THR 94 3.291 -9.267 -14.507 744 HG1 THR 94 1HG THR 94 2.063 -11.146 -15.368 745 HG21 THR 94 3HG2 THR 94 3.321 -10.210 -16.869 746 HG22 THR 94 1HG2 THR 94 4.737 -11.142 -16.381 747 HG23 THR 94 2HG2 THR 94 4.793 -9.379 -16.364 748 H TYR 95 H TYR 95 6.782 -9.461 -15.050 749 HA TYR 95 HA TYR 95 8.014 -7.968 -13.105 750 HB2 TYR 95 2HB TYR 95 8.043 -6.286 -15.352 751 HB3 TYR 95 1HB TYR 95 9.253 -7.490 -14.908 752 HD1 TYR 95 2HD TYR 95 5.998 -7.081 -16.706 753 HD2 TYR 95 1HD TYR 95 9.578 -9.409 -16.237 754 HE1 TYR 95 2HE TYR 95 5.378 -8.435 -18.689 755 HE2 TYR 95 1HE TYR 95 8.959 -10.762 -18.221 756 HH TYR 95 HH TYR 95 7.187 -10.035 -20.458 757 H CYS 96 H CYS 96 7.285 -6.505 -11.724 758 HA CYS 96 HA CYS 96 5.159 -4.654 -12.615 759 HB2 CYS 96 2HB CYS 96 5.474 -5.735 -9.810 760 HB3 CYS 96 1HB CYS 96 4.159 -4.738 -10.423 761 HG CYS 96 HG CYS 96 3.328 -7.199 -10.504 762 H ASP 97 H ASP 97 5.350 -2.537 -12.031 763 HA ASP 97 HA ASP 97 7.915 -1.726 -10.840 764 HB2 ASP 97 2HB ASP 97 6.948 -0.652 -12.971 765 HB3 ASP 97 1HB ASP 97 5.754 0.099 -11.913 766 H LEU 98 H LEU 98 8.001 -1.126 -8.726 767 HA LEU 98 HA LEU 98 5.405 -0.649 -7.399 768 HB2 LEU 98 2HB LEU 98 6.758 -2.812 -6.903 769 HB3 LEU 98 1HB LEU 98 7.800 -1.748 -5.963 770 HG LEU 98 HG LEU 98 4.850 -1.532 -5.524 771 HD11 LEU 98 1HD1 LEU 98 5.399 -3.993 -5.588 772 HD12 LEU 98 2HD1 LEU 98 4.817 -3.423 -4.024 773 HD13 LEU 98 3HD1 LEU 98 6.539 -3.713 -4.272 774 HD21 LEU 98 3HD2 LEU 98 6.956 -0.284 -4.426 775 HD22 LEU 98 1HD2 LEU 98 6.920 -1.702 -3.378 776 HD23 LEU 98 2HD2 LEU 98 5.507 -0.652 -3.493 777 H GLN 99 H GLN 99 5.126 1.134 -6.292 778 HA GLN 99 HA GLN 99 7.462 2.861 -5.744 779 HB2 GLN 99 2HB GLN 99 6.052 4.158 -7.086 780 HB3 GLN 99 1HB GLN 99 4.589 3.445 -6.407 781 HG2 GLN 99 2HG GLN 99 6.393 4.956 -4.565 782 HG3 GLN 99 1HG GLN 99 5.397 5.881 -5.689 783 HE21 GLN 99 1HE2 GLN 99 5.197 5.433 -2.640 784 HE22 GLN 99 2HE2 GLN 99 3.591 4.934 -2.411 785 H TYR 100 H TYR 100 7.889 3.350 -3.625 786 HA TYR 100 HA TYR 100 5.856 3.054 -1.598 787 HB2 TYR 100 2HB TYR 100 6.796 1.251 -0.386 788 HB3 TYR 100 1HB TYR 100 6.737 0.686 -2.055 789 HD1 TYR 100 2HD TYR 100 9.179 2.570 -2.895 790 HD2 TYR 100 1HD TYR 100 8.547 -0.310 0.225 791 HE1 TYR 100 2HE TYR 100 11.611 2.134 -2.802 792 HE2 TYR 100 1HE TYR 100 10.978 -0.747 0.309 793 HH TYR 100 HH TYR 100 13.265 1.263 -1.277 794 H ILE 101 H ILE 101 6.649 3.663 0.536 795 HA ILE 101 HA ILE 101 9.250 4.884 0.688 796 HB ILE 101 HB ILE 101 8.428 6.777 -0.260 797 HG12 ILE 101 2HG1 ILE 101 7.443 7.058 2.599 798 HG13 ILE 101 1HG1 ILE 101 9.085 7.395 2.034 799 HG21 ILE 101 1HG2 ILE 101 5.799 6.006 0.964 800 HG22 ILE 101 2HG2 ILE 101 6.235 5.898 -0.736 801 HG23 ILE 101 3HG2 ILE 101 6.034 7.476 0.027 802 HD11 ILE 101 3HD1 ILE 101 7.718 9.462 2.159 803 HD12 ILE 101 1HD1 ILE 101 6.576 8.742 1.019 804 HD13 ILE 101 2HD1 ILE 101 8.225 9.103 0.505 805 H SER 102 H SER 102 10.013 4.884 2.727 806 HA SER 102 HA SER 102 8.870 3.378 4.722 807 HB2 SER 102 2HB SER 102 10.443 4.441 6.262 808 HB3 SER 102 1HB SER 102 11.221 4.105 4.718 809 HG SER 102 HG SER 102 10.511 6.523 5.896 810 H LEU 103 H LEU 103 7.368 3.644 6.258 811 HA LEU 103 HA LEU 103 5.429 5.621 6.165 812 HB2 LEU 103 2HB LEU 103 5.048 3.549 7.345 813 HB3 LEU 103 1HB LEU 103 6.293 3.939 8.527 814 HG LEU 103 HG LEU 103 4.058 5.884 8.087 815 HD11 LEU 103 1HD1 LEU 103 3.911 3.179 9.332 816 HD12 LEU 103 2HD1 LEU 103 2.680 4.063 8.427 817 HD13 LEU 103 3HD1 LEU 103 3.025 4.497 10.103 818 HD21 LEU 103 3HD2 LEU 103 4.927 6.816 9.957 819 HD22 LEU 103 1HD2 LEU 103 6.268 5.680 9.821 820 HD23 LEU 103 2HD2 LEU 103 4.870 5.278 10.815 821 H LYS 104 H LYS 104 8.413 5.511 8.065 822 HA LYS 104 HA LYS 104 7.895 7.870 9.573 823 HB2 LYS 104 2HB LYS 104 10.680 7.004 8.889 824 HB3 LYS 104 1HB LYS 104 10.044 7.628 10.412 825 HG2 LYS 104 2HG LYS 104 8.695 5.507 10.624 826 HG3 LYS 104 1HG LYS 104 9.565 4.884 9.223 827 HD2 LYS 104 2HD LYS 104 10.736 5.700 11.894 828 HD3 LYS 104 1HD LYS 104 10.713 4.085 11.186 829 HE2 LYS 104 2HE LYS 104 12.301 6.491 10.280 830 HE3 LYS 104 1HE LYS 104 12.907 4.910 10.774 831 HZ1 LYS 104 3HZ LYS 104 11.564 4.029 8.823 832 HZ2 LYS 104 1HZ LYS 104 12.990 4.873 8.462 833 HZ3 LYS 104 2HZ LYS 104 11.484 5.640 8.290 834 H GLY 105 H GLY 105 9.318 7.216 6.440 835 HA2 GLY 105 2HA GLY 105 10.455 9.800 5.994 836 HA3 GLY 105 1HA GLY 105 10.079 8.589 4.771 837 H LEU 106 H LEU 106 7.431 8.238 4.992 838 HA LEU 106 HA LEU 106 6.402 10.505 3.616 839 HB2 LEU 106 2HB LEU 106 5.649 8.278 3.053 840 HB3 LEU 106 1HB LEU 106 5.024 8.038 4.683 841 HG LEU 106 HG LEU 106 3.964 10.491 3.605 842 HD11 LEU 106 1HD1 LEU 106 4.466 9.190 1.443 843 HD12 LEU 106 2HD1 LEU 106 2.809 9.743 1.671 844 HD13 LEU 106 3HD1 LEU 106 3.224 8.057 1.975 845 HD21 LEU 106 3HD2 LEU 106 1.848 9.436 4.175 846 HD22 LEU 106 1HD2 LEU 106 3.024 9.035 5.426 847 HD23 LEU 106 2HD2 LEU 106 2.603 7.844 4.195 848 H ARG 107 H ARG 107 5.819 9.152 6.846 849 HA ARG 107 HA ARG 107 3.840 11.080 7.492 850 HB2 ARG 107 2HB ARG 107 3.812 8.961 8.641 851 HB3 ARG 107 1HB ARG 107 5.430 9.235 9.260 852 HG2 ARG 107 2HG ARG 107 3.798 9.741 11.004 853 HG3 ARG 107 1HG ARG 107 4.607 11.225 10.499 854 HD2 ARG 107 2HD ARG 107 2.639 12.124 9.903 855 HD3 ARG 107 1HD ARG 107 2.352 10.785 8.796 856 HE ARG 107 HE ARG 107 0.793 10.035 10.323 857 HH11 ARG 107 1HH2 ARG 107 3.296 11.801 11.931 858 HH12 ARG 107 2HH2 ARG 107 2.603 11.616 13.508 859 HH21 ARG 107 1HH1 ARG 107 -0.121 9.788 12.389 860 HH22 ARG 107 2HH1 ARG 107 0.670 10.476 13.767 861 H GLU 108 H GLU 108 7.296 11.050 7.812 862 HA GLU 108 HA GLU 108 7.544 13.113 9.757 863 HB2 GLU 108 2HB GLU 108 9.522 11.900 9.434 864 HB3 GLU 108 1HB GLU 108 9.380 11.955 7.675 865 HG2 GLU 108 2HG GLU 108 9.971 14.274 7.609 866 HG3 GLU 108 1HG GLU 108 9.810 14.432 9.357 867 H VAL 109 H VAL 109 7.813 13.079 6.256 868 HA VAL 109 HA VAL 109 8.020 15.837 5.786 869 HB VAL 109 HB VAL 109 6.952 15.106 3.527 870 HG11 VAL 109 1HG1 VAL 109 9.295 15.208 3.467 871 HG12 VAL 109 2HG1 VAL 109 9.023 13.481 3.192 872 HG13 VAL 109 3HG1 VAL 109 9.459 14.059 4.796 873 HG21 VAL 109 3HG2 VAL 109 7.131 12.545 3.342 874 HG22 VAL 109 1HG2 VAL 109 5.686 13.261 4.052 875 HG23 VAL 109 2HG2 VAL 109 6.924 12.560 5.085 876 H LEU 110 H LEU 110 5.234 13.660 5.838 877 HA LEU 110 HA LEU 110 3.220 15.592 5.503 878 HB2 LEU 110 2HB LEU 110 3.433 12.806 6.116 879 HB3 LEU 110 1HB LEU 110 2.272 13.512 7.192 880 HG LEU 110 HG LEU 110 1.037 14.447 5.302 881 HD11 LEU 110 1HD1 LEU 110 3.544 14.092 3.995 882 HD12 LEU 110 2HD1 LEU 110 2.111 14.916 3.393 883 HD13 LEU 110 3HD1 LEU 110 2.328 13.191 3.097 884 HD21 LEU 110 3HD2 LEU 110 0.311 12.375 4.246 885 HD22 LEU 110 1HD2 LEU 110 0.652 12.053 5.944 886 HD23 LEU 110 2HD2 LEU 110 1.811 11.577 4.708 887 H ARG 111 H ARG 111 5.172 14.672 8.239 888 HA ARG 111 HA ARG 111 3.622 15.719 10.336 889 HB2 ARG 111 2HB ARG 111 5.940 14.448 10.346 890 HB3 ARG 111 1HB ARG 111 6.593 16.086 10.342 891 HG2 ARG 111 2HG ARG 111 5.021 16.576 12.290 892 HG3 ARG 111 1HG ARG 111 4.745 14.835 12.381 893 HD2 ARG 111 2HD ARG 111 6.537 14.927 13.803 894 HD3 ARG 111 1HD ARG 111 7.441 14.847 12.293 895 HE ARG 111 HE ARG 111 7.147 17.493 12.561 896 HH11 ARG 111 1HH2 ARG 111 7.972 15.025 14.844 897 HH12 ARG 111 2HH2 ARG 111 8.947 16.068 15.827 898 HH21 ARG 111 1HH1 ARG 111 8.422 18.865 13.845 899 HH22 ARG 111 2HH1 ARG 111 9.201 18.241 15.260 900 H LEU 112 H LEU 112 5.785 17.196 7.986 901 HA LEU 112 HA LEU 112 5.818 19.811 9.088 902 HB2 LEU 112 2HB LEU 112 6.951 18.604 6.866 903 HB3 LEU 112 1HB LEU 112 5.762 19.694 6.152 904 HG LEU 112 HG LEU 112 7.902 20.461 8.160 905 HD11 LEU 112 1HD1 LEU 112 8.702 21.862 6.216 906 HD12 LEU 112 2HD1 LEU 112 7.544 21.004 5.199 907 HD13 LEU 112 3HD1 LEU 112 8.864 20.124 5.969 908 HD21 LEU 112 3HD2 LEU 112 6.995 22.809 7.334 909 HD22 LEU 112 1HD2 LEU 112 6.179 21.950 8.642 910 HD23 LEU 112 2HD2 LEU 112 5.528 21.887 7.004 911 H TYR 113 H TYR 113 3.562 17.895 7.344 912 HA TYR 113 HA TYR 113 1.602 20.129 7.350 913 HB2 TYR 113 2HB TYR 113 1.646 17.753 5.468 914 HB3 TYR 113 1HB TYR 113 0.541 19.128 5.411 915 HD1 TYR 113 1HD TYR 113 4.135 18.172 5.135 916 HD2 TYR 113 2HD TYR 113 1.145 21.146 4.321 917 HE1 TYR 113 1HE TYR 113 5.765 19.433 3.755 918 HE2 TYR 113 2HE TYR 113 2.773 22.407 2.941 919 HH TYR 113 HH TYR 113 5.149 22.639 2.656 920 HA PRO 114 HA PRO 114 0.373 16.882 10.412 921 HB2 PRO 114 2HB PRO 114 -0.893 19.193 11.730 922 HB3 PRO 114 1HB PRO 114 0.275 18.023 12.369 923 HG2 PRO 114 2HG PRO 114 0.934 20.566 11.823 924 HG3 PRO 114 1HG PRO 114 2.076 19.224 11.644 925 HD2 PRO 114 2HD PRO 114 0.558 20.700 9.521 926 HD3 PRO 114 1HD PRO 114 2.214 20.056 9.486 927 H GLU 115 H GLU 115 -1.763 19.501 9.187 928 HA GLU 115 HA GLU 115 -4.170 18.165 9.908 929 HB2 GLU 115 2HB GLU 115 -3.749 20.219 7.724 930 HB3 GLU 115 1HB GLU 115 -5.282 19.795 8.484 931 HG2 GLU 115 2HG GLU 115 -4.059 20.412 10.711 932 HG3 GLU 115 1HG GLU 115 -2.943 21.277 9.656 933 H TYR 116 H TYR 116 -2.500 18.515 6.807 934 HA TYR 116 HA TYR 116 -4.230 16.774 5.376 935 HB2 TYR 116 2HB TYR 116 -1.430 17.783 4.847 936 HB3 TYR 116 1HB TYR 116 -2.343 16.804 3.705 937 HD1 TYR 116 1HD TYR 116 -4.950 17.688 3.520 938 HD2 TYR 116 2HD TYR 116 -1.492 20.068 4.436 939 HE1 TYR 116 1HE TYR 116 -6.141 19.718 2.740 940 HE2 TYR 116 2HE TYR 116 -2.683 22.098 3.654 941 HH TYR 116 HH TYR 116 -5.642 22.528 3.456 942 H ALA 117 H ALA 117 -1.289 16.364 7.216 943 HA ALA 117 HA ALA 117 -0.629 13.756 6.360 944 HB1 ALA 117 1HB ALA 117 1.042 15.028 7.419 945 HB2 ALA 117 2HB ALA 117 0.653 13.734 8.559 946 HB3 ALA 117 3HB ALA 117 0.021 15.359 8.816 947 H GLN 118 H GLN 118 -2.108 14.750 9.462 948 HA GLN 118 HA GLN 118 -2.653 12.197 10.391 949 HB2 GLN 118 2HB GLN 118 -4.265 14.746 10.688 950 HB3 GLN 118 1HB GLN 118 -4.565 13.283 11.609 951 HG2 GLN 118 2HG GLN 118 -2.079 14.990 11.654 952 HG3 GLN 118 1HG GLN 118 -3.200 14.685 12.974 953 HE21 GLN 118 1HE2 GLN 118 -0.591 13.249 11.051 954 HE22 GLN 118 2HE2 GLN 118 -0.319 11.933 12.088 955 H LYS 119 H LYS 119 -4.168 14.129 7.957 956 HA LYS 119 HA LYS 119 -6.501 12.498 7.611 957 HB2 LYS 119 2HB LYS 119 -6.253 14.938 6.947 958 HB3 LYS 119 1HB LYS 119 -5.289 14.374 5.581 959 HG2 LYS 119 2HG LYS 119 -7.398 14.398 4.616 960 HG3 LYS 119 1HG LYS 119 -7.347 12.742 5.224 961 HD2 LYS 119 2HD LYS 119 -8.502 13.474 7.289 962 HD3 LYS 119 1HD LYS 119 -8.587 15.115 6.648 963 HE2 LYS 119 2HE LYS 119 -9.824 12.659 5.368 964 HE3 LYS 119 1HE LYS 119 -10.703 13.905 6.252 965 HZ1 LYS 119 3HZ LYS 119 -9.593 15.488 4.582 966 HZ2 LYS 119 1HZ LYS 119 -10.920 14.565 4.066 967 HZ3 LYS 119 2HZ LYS 119 -9.343 14.094 3.645 968 H PHE 120 H PHE 120 -3.194 12.393 6.408 969 HA PHE 120 HA PHE 120 -3.654 10.940 4.046 970 HB2 PHE 120 2HB PHE 120 -1.465 11.198 3.834 971 HB3 PHE 120 1HB PHE 120 -1.456 11.949 5.424 972 HD1 PHE 120 1HD PHE 120 -0.989 8.719 3.606 973 HD2 PHE 120 2HD PHE 120 -0.540 10.817 7.333 974 HE1 PHE 120 1HE PHE 120 0.452 6.914 4.454 975 HE2 PHE 120 2HE PHE 120 0.876 8.984 8.192 976 HZ PHE 120 HZ PHE 120 1.379 7.034 6.759 977 H VAL 121 H VAL 121 -2.798 9.675 7.290 978 HA VAL 121 HA VAL 121 -2.737 7.001 6.609 979 HB VAL 121 HB VAL 121 -3.692 8.313 9.168 980 HG11 VAL 121 1HG1 VAL 121 -3.768 5.582 8.291 981 HG12 VAL 121 2HG1 VAL 121 -4.282 6.249 9.839 982 HG13 VAL 121 3HG1 VAL 121 -2.610 5.731 9.610 983 HG21 VAL 121 3HG2 VAL 121 -1.355 7.536 9.886 984 HG22 VAL 121 1HG2 VAL 121 -1.408 8.889 8.755 985 HG23 VAL 121 2HG2 VAL 121 -1.031 7.266 8.173 986 H SER 122 H SER 122 -5.451 9.154 7.113 987 HA SER 122 HA SER 122 -7.403 6.996 7.048 988 HB2 SER 122 2HB SER 122 -8.136 8.706 8.443 989 HB3 SER 122 1HB SER 122 -7.518 9.972 7.387 990 HG SER 122 HG SER 122 -9.888 9.524 7.416 991 H GLU 123 H GLU 123 -6.318 9.652 4.956 992 HA GLU 123 HA GLU 123 -8.204 9.199 2.880 993 HB2 GLU 123 2HB GLU 123 -5.810 10.842 3.298 994 HB3 GLU 123 1HB GLU 123 -6.034 10.327 1.626 995 HG2 GLU 123 2HG GLU 123 -8.177 11.327 1.485 996 HG3 GLU 123 1HG GLU 123 -8.310 11.484 3.236 997 H ILE 124 H ILE 124 -5.157 7.736 3.714 998 HA ILE 124 HA ILE 124 -4.363 6.622 1.291 999 HB ILE 124 HB ILE 124 -3.400 6.558 3.796 1000 HG12 ILE 124 2HG1 ILE 124 -2.915 4.948 1.334 1001 HG13 ILE 124 1HG1 ILE 124 -1.857 6.083 2.169 1002 HG21 ILE 124 1HG2 ILE 124 -3.584 4.373 4.776 1003 HG22 ILE 124 2HG2 ILE 124 -4.432 3.743 3.367 1004 HG23 ILE 124 3HG2 ILE 124 -5.227 4.907 4.428 1005 HD11 ILE 124 3HD1 ILE 124 -2.358 3.182 2.755 1006 HD12 ILE 124 1HD1 ILE 124 -1.884 4.257 4.069 1007 HD13 ILE 124 2HD1 ILE 124 -0.828 4.054 2.674 1008 H GLN 125 H GLN 125 -6.850 5.627 3.570 1009 HA GLN 125 HA GLN 125 -7.363 3.032 2.889 1010 HB2 GLN 125 2HB GLN 125 -9.590 3.345 3.696 1011 HB3 GLN 125 1HB GLN 125 -8.544 4.427 4.618 1012 HG2 GLN 125 2HG GLN 125 -10.297 5.826 3.999 1013 HG3 GLN 125 1HG GLN 125 -9.031 6.130 2.818 1014 HE21 GLN 125 1HE2 GLN 125 -10.983 3.180 2.739 1015 HE22 GLN 125 2HE2 GLN 125 -11.814 3.561 1.309 1016 H HIS 126 H HIS 126 -8.062 5.885 1.023 1017 HA HIS 126 HA HIS 126 -9.966 4.879 -0.745 1018 HB2 HIS 126 2HB HIS 126 -9.740 7.102 -1.110 1019 HB3 HIS 126 1HB HIS 126 -8.018 7.083 -0.758 1020 HD1 HIS 126 1HD HIS 126 -6.568 7.431 -2.753 1021 HD2 HIS 126 2HD HIS 126 -10.229 5.734 -3.800 1022 HE1 HIS 126 1HE HIS 126 -6.561 7.211 -5.276 1023 HE2 HIS 126 2HE HIS 126 -8.785 6.175 -5.929 1024 H ASP 127 H ASP 127 -6.769 3.860 -0.311 1025 HA ASP 127 HA ASP 127 -6.768 2.590 -2.987 1026 HB2 ASP 127 2HB ASP 127 -4.405 3.390 -1.276 1027 HB3 ASP 127 1HB ASP 127 -4.308 2.536 -2.815 1028 H LEU 128 H LEU 128 -7.197 2.013 0.246 1029 HA LEU 128 HA LEU 128 -5.741 -0.182 0.974 1030 HB2 LEU 128 2HB LEU 128 -8.161 1.023 1.803 1031 HB3 LEU 128 1HB LEU 128 -8.495 -0.699 1.624 1032 HG LEU 128 HG LEU 128 -7.663 -0.155 3.899 1033 HD11 LEU 128 1HD1 LEU 128 -5.356 -1.635 3.299 1034 HD12 LEU 128 2HD1 LEU 128 -6.511 -2.071 2.040 1035 HD13 LEU 128 3HD1 LEU 128 -6.935 -2.284 3.738 1036 HD21 LEU 128 3HD2 LEU 128 -5.945 1.278 4.180 1037 HD22 LEU 128 1HD2 LEU 128 -5.867 1.483 2.430 1038 HD23 LEU 128 2HD2 LEU 128 -4.887 0.245 3.219 1039 H THR 129 H THR 129 -5.160 -1.620 -0.607 1040 HA THR 129 HA THR 129 -7.304 -3.015 -2.075 1041 HB THR 129 HB THR 129 -4.309 -3.018 -2.508 1042 HG1 THR 129 1HG THR 129 -4.743 -1.639 -4.140 1043 HG21 THR 129 3HG2 THR 129 -6.585 -4.525 -3.709 1044 HG22 THR 129 1HG2 THR 129 -4.917 -5.033 -3.443 1045 HG23 THR 129 2HG2 THR 129 -5.311 -3.970 -4.794 1046 H TYR 130 H TYR 130 -4.141 -3.917 -0.662 1047 HA TYR 130 HA TYR 130 -5.470 -6.215 0.625 1048 HB2 TYR 130 2HB TYR 130 -4.410 -7.605 -0.783 1049 HB3 TYR 130 1HB TYR 130 -3.501 -6.278 -1.495 1050 HD1 TYR 130 1HD TYR 130 -3.506 -8.125 1.835 1051 HD2 TYR 130 2HD TYR 130 -1.233 -6.510 -1.448 1052 HE1 TYR 130 1HE TYR 130 -1.423 -8.984 2.844 1053 HE2 TYR 130 2HE TYR 130 0.850 -7.363 -0.418 1054 HH TYR 130 HH TYR 130 1.693 -8.041 1.737 1055 H ASN 131 H ASN 131 -5.227 -5.984 2.712 1056 HA ASN 131 HA ASN 131 -2.882 -4.548 3.722 1057 HB2 ASN 131 2HB ASN 131 -4.492 -3.462 4.860 1058 HB3 ASN 131 1HB ASN 131 -5.693 -4.691 4.482 1059 HD21 ASN 131 1HD2 ASN 131 -3.771 -3.402 7.007 1060 HD22 ASN 131 2HD2 ASN 131 -4.028 -4.638 8.141 1061 H LEU 132 H LEU 132 -1.243 -5.802 4.308 1062 HA LEU 132 HA LEU 132 -1.734 -8.544 5.113 1063 HB2 LEU 132 2HB LEU 132 0.639 -8.831 5.033 1064 HB3 LEU 132 1HB LEU 132 0.211 -7.822 3.658 1065 HG LEU 132 HG LEU 132 0.642 -5.872 5.434 1066 HD11 LEU 132 1HD1 LEU 132 1.347 -8.044 6.955 1067 HD12 LEU 132 2HD1 LEU 132 1.971 -6.413 7.204 1068 HD13 LEU 132 3HD1 LEU 132 2.904 -7.580 6.264 1069 HD21 LEU 132 3HD2 LEU 132 2.916 -7.334 4.068 1070 HD22 LEU 132 1HD2 LEU 132 2.819 -5.611 4.422 1071 HD23 LEU 132 2HD2 LEU 132 1.756 -6.323 3.210 1072 H ARG 133 H ARG 133 -2.211 -9.011 7.165 1073 HA ARG 133 HA ARG 133 -1.448 -7.151 9.302 1074 HB2 ARG 133 2HB ARG 133 -3.351 -9.507 9.295 1075 HB3 ARG 133 1HB ARG 133 -3.040 -8.463 10.683 1076 HG2 ARG 133 2HG ARG 133 -3.627 -6.537 8.970 1077 HG3 ARG 133 1HG ARG 133 -4.469 -7.836 8.125 1078 HD2 ARG 133 2HD ARG 133 -5.890 -6.563 9.785 1079 HD3 ARG 133 1HD ARG 133 -5.841 -8.306 10.030 1080 HE ARG 133 HE ARG 133 -3.804 -7.255 11.597 1081 HH11 ARG 133 1HH2 ARG 133 -7.235 -6.945 11.275 1082 HH12 ARG 133 2HH2 ARG 133 -7.501 -6.593 12.950 1083 HH21 ARG 133 1HH1 ARG 133 -4.144 -6.796 13.797 1084 HH22 ARG 133 2HH1 ARG 133 -5.750 -6.509 14.378 1085 H GLU 134 H GLU 134 -0.445 -7.882 11.228 1086 HA GLU 134 HA GLU 134 1.674 -9.727 10.804 1087 HB2 GLU 134 2HB GLU 134 1.674 -9.421 13.487 1088 HB3 GLU 134 1HB GLU 134 2.352 -8.229 12.377 1089 HG2 GLU 134 2HG GLU 134 0.408 -6.874 12.468 1090 HG3 GLU 134 1HG GLU 134 -0.554 -8.164 13.188 1091 H GLY 135 H GLY 135 1.968 -11.795 11.463 1092 HA2 GLY 135 2HA GLY 135 1.443 -13.921 12.183 1093 HA3 GLY 135 1HA GLY 135 0.329 -13.170 13.324 Start of MODEL 9 1 H1 MET 1 H MET 1 4.664 12.320 -17.335 2 HA MET 1 HA MET 1 2.915 13.955 -16.399 3 HB2 MET 1 2HB MET 1 1.280 11.913 -17.887 4 HB3 MET 1 1HB MET 1 0.596 12.827 -16.541 5 HG2 MET 1 2HG MET 1 0.067 14.127 -18.445 6 HG3 MET 1 1HG MET 1 1.484 14.924 -17.762 7 HE1 MET 1 3HE MET 1 0.062 13.418 -21.137 8 HE2 MET 1 1HE MET 1 0.216 12.185 -19.879 9 HE3 MET 1 2HE MET 1 1.219 12.103 -21.325 10 H ASN 2 H ASN 2 1.316 10.899 -16.136 11 HA ASN 2 HA ASN 2 1.497 10.668 -13.389 12 HB2 ASN 2 2HB ASN 2 0.212 9.257 -15.248 13 HB3 ASN 2 1HB ASN 2 1.560 8.152 -14.987 14 HD21 ASN 2 1HD2 ASN 2 1.459 9.559 -12.078 15 HD22 ASN 2 2HD2 ASN 2 0.319 8.583 -11.286 16 H LYS 3 H LYS 3 3.427 10.914 -12.380 17 HA LYS 3 HA LYS 3 5.684 9.230 -13.257 18 HB2 LYS 3 2HB LYS 3 5.455 11.892 -11.989 19 HB3 LYS 3 1HB LYS 3 6.759 10.868 -11.384 20 HG2 LYS 3 2HG LYS 3 7.800 10.730 -13.481 21 HG3 LYS 3 1HG LYS 3 6.327 11.168 -14.347 22 HD2 LYS 3 2HD LYS 3 6.466 13.457 -13.412 23 HD3 LYS 3 1HD LYS 3 7.959 13.018 -12.582 24 HE2 LYS 3 2HE LYS 3 7.999 14.180 -14.984 25 HE3 LYS 3 1HE LYS 3 9.194 12.964 -14.532 26 HZ1 LYS 3 3HZ LYS 3 7.731 11.276 -15.536 27 HZ2 LYS 3 1HZ LYS 3 8.280 12.420 -16.662 28 HZ3 LYS 3 2HZ LYS 3 6.692 12.512 -16.066 29 H GLU 4 H GLU 4 5.356 10.590 -10.051 30 HA GLU 4 HA GLU 4 5.706 7.947 -8.891 31 HB2 GLU 4 2HB GLU 4 5.655 10.741 -7.754 32 HB3 GLU 4 1HB GLU 4 5.718 9.308 -6.725 33 HG2 GLU 4 2HG GLU 4 7.864 8.789 -7.345 34 HG3 GLU 4 1HG GLU 4 7.656 9.418 -8.979 35 H LEU 5 H LEU 5 4.268 6.916 -7.520 36 HA LEU 5 HA LEU 5 1.535 7.206 -8.082 37 HB2 LEU 5 2HB LEU 5 3.150 5.355 -6.690 38 HB3 LEU 5 1HB LEU 5 1.913 5.886 -5.554 39 HG LEU 5 HG LEU 5 0.931 4.061 -6.671 40 HD11 LEU 5 1HD1 LEU 5 -0.208 6.514 -6.884 41 HD12 LEU 5 2HD1 LEU 5 -1.004 5.010 -7.328 42 HD13 LEU 5 3HD1 LEU 5 -0.216 5.990 -8.564 43 HD21 LEU 5 3HD2 LEU 5 2.360 3.583 -8.469 44 HD22 LEU 5 1HD2 LEU 5 2.252 5.224 -9.107 45 HD23 LEU 5 2HD2 LEU 5 0.889 4.118 -9.281 46 H LEU 6 H LEU 6 3.530 8.918 -5.885 47 HA LEU 6 HA LEU 6 1.845 9.470 -3.764 48 HB2 LEU 6 2HB LEU 6 2.963 11.728 -3.684 49 HB3 LEU 6 1HB LEU 6 4.059 10.344 -3.696 50 HG LEU 6 HG LEU 6 4.035 10.643 -6.286 51 HD11 LEU 6 1HD1 LEU 6 2.356 12.243 -6.656 52 HD12 LEU 6 2HD1 LEU 6 3.833 13.199 -6.750 53 HD13 LEU 6 3HD1 LEU 6 2.857 13.226 -5.281 54 HD21 LEU 6 3HD2 LEU 6 5.735 12.643 -5.929 55 HD22 LEU 6 1HD2 LEU 6 6.101 11.041 -5.291 56 HD23 LEU 6 2HD2 LEU 6 5.461 12.290 -4.223 57 H GLN 7 H GLN 7 0.711 9.617 -6.722 58 HA GLN 7 HA GLN 7 -0.414 12.190 -7.001 59 HB2 GLN 7 2HB GLN 7 -0.302 10.268 -8.732 60 HB3 GLN 7 1HB GLN 7 -1.746 9.648 -7.930 61 HG2 GLN 7 2HG GLN 7 -2.212 12.401 -8.304 62 HG3 GLN 7 1HG GLN 7 -1.509 11.830 -9.817 63 HE21 GLN 7 1HE2 GLN 7 -2.982 10.896 -11.244 64 HE22 GLN 7 2HE2 GLN 7 -4.485 10.244 -10.797 65 H LEU 8 H LEU 8 -0.884 9.653 -4.819 66 HA LEU 8 HA LEU 8 -3.603 9.778 -4.198 67 HB2 LEU 8 2HB LEU 8 -1.127 9.035 -2.728 68 HB3 LEU 8 1HB LEU 8 -2.575 9.335 -1.767 69 HG LEU 8 HG LEU 8 -3.828 7.718 -3.152 70 HD11 LEU 8 1HD1 LEU 8 -2.048 6.228 -4.537 71 HD12 LEU 8 2HD1 LEU 8 -1.295 7.814 -4.701 72 HD13 LEU 8 3HD1 LEU 8 -2.947 7.561 -5.261 73 HD21 LEU 8 3HD2 LEU 8 -1.416 6.140 -2.466 74 HD22 LEU 8 1HD2 LEU 8 -3.080 5.946 -1.917 75 HD23 LEU 8 2HD2 LEU 8 -2.041 7.160 -1.172 76 HA PRO 9 HA PRO 9 -4.599 13.767 -2.623 77 HB2 PRO 9 2HB PRO 9 -5.512 12.304 -0.183 78 HB3 PRO 9 1HB PRO 9 -6.353 13.527 -1.154 79 HG2 PRO 9 2HG PRO 9 -6.909 10.917 -1.352 80 HG3 PRO 9 1HG PRO 9 -7.009 12.019 -2.734 81 HD2 PRO 9 2HD PRO 9 -5.033 9.884 -2.194 82 HD3 PRO 9 1HD PRO 9 -5.483 10.653 -3.732 83 H LEU 10 H LEU 10 -2.446 11.707 -0.791 84 HA LEU 10 HA LEU 10 -2.016 13.223 1.473 85 HB2 LEU 10 2HB LEU 10 0.542 12.448 0.936 86 HB3 LEU 10 1HB LEU 10 -0.656 11.530 1.844 87 HG LEU 10 HG LEU 10 -1.306 10.849 -0.736 88 HD11 LEU 10 1HD1 LEU 10 0.878 12.267 -1.209 89 HD12 LEU 10 2HD1 LEU 10 0.547 10.774 -2.108 90 HD13 LEU 10 3HD1 LEU 10 1.676 10.751 -0.751 91 HD21 LEU 10 3HD2 LEU 10 -0.471 8.726 -0.165 92 HD22 LEU 10 1HD2 LEU 10 -0.792 9.467 1.408 93 HD23 LEU 10 2HD2 LEU 10 0.858 9.406 0.773 94 H PHE 11 H PHE 11 -0.323 13.580 -1.626 95 HA PHE 11 HA PHE 11 0.900 15.996 -0.590 96 HB2 PHE 11 2HB PHE 11 2.455 15.912 -2.287 97 HB3 PHE 11 1HB PHE 11 2.121 14.200 -1.996 98 HD1 PHE 11 1HD PHE 11 -0.337 13.684 -3.158 99 HD2 PHE 11 2HD PHE 11 2.681 16.305 -4.640 100 HE1 PHE 11 1HE PHE 11 -1.261 13.432 -5.447 101 HE2 PHE 11 2HE PHE 11 1.796 16.049 -6.942 102 HZ PHE 11 HZ PHE 11 -0.184 14.608 -7.347 103 H GLU 12 H GLU 12 -1.395 14.973 -3.031 104 HA GLU 12 HA GLU 12 -1.703 17.302 -4.510 105 HB2 GLU 12 2HB GLU 12 -2.935 14.865 -4.446 106 HB3 GLU 12 1HB GLU 12 -4.222 15.947 -3.910 107 HG2 GLU 12 2HG GLU 12 -2.617 16.107 -6.457 108 HG3 GLU 12 1HG GLU 12 -4.349 15.931 -6.265 109 H SER 13 H SER 13 -3.130 16.401 -1.404 110 HA SER 13 HA SER 13 -4.545 18.951 -1.241 111 HB2 SER 13 2HB SER 13 -4.567 17.299 1.160 112 HB3 SER 13 1HB SER 13 -5.915 17.896 0.195 113 HG SER 13 HG SER 13 -4.686 15.465 0.182 114 H ALA 14 H ALA 14 -1.457 18.228 -0.943 115 HA ALA 14 HA ALA 14 -1.042 19.852 1.490 116 HB1 ALA 14 1HB ALA 14 -0.120 17.341 1.096 117 HB2 ALA 14 2HB ALA 14 0.743 18.546 2.049 118 HB3 ALA 14 3HB ALA 14 1.194 18.266 0.361 119 H SER 15 H SER 15 0.883 21.226 1.418 120 HA SER 15 HA SER 15 1.010 22.747 -0.987 121 HB2 SER 15 2HB SER 15 1.502 23.616 1.347 122 HB3 SER 15 1HB SER 15 3.027 22.738 1.275 123 HG SER 15 HG SER 15 2.131 24.931 -0.248 124 H ARG 16 H ARG 16 2.649 22.744 -2.573 125 HA ARG 16 HA ARG 16 3.702 20.327 -3.321 126 HB2 ARG 16 2HB ARG 16 4.211 23.116 -4.018 127 HB3 ARG 16 1HB ARG 16 5.673 22.134 -4.126 128 HG2 ARG 16 2HG ARG 16 4.627 21.944 -6.254 129 HG3 ARG 16 1HG ARG 16 4.261 20.436 -5.424 130 HD2 ARG 16 2HD ARG 16 2.048 21.195 -4.860 131 HD3 ARG 16 1HD ARG 16 2.408 22.829 -5.409 132 HE ARG 16 HE ARG 16 2.816 21.243 -7.622 133 HH11 ARG 16 1HH2 ARG 16 0.252 21.814 -5.371 134 HH12 ARG 16 2HH2 ARG 16 -1.011 21.511 -6.519 135 HH21 ARG 16 1HH1 ARG 16 1.166 20.841 -9.135 136 HH22 ARG 16 2HH1 ARG 16 -0.492 20.960 -8.648 137 H GLY 17 H GLY 17 4.577 22.367 -0.751 138 HA2 GLY 17 2HA GLY 17 7.266 21.688 -0.311 139 HA3 GLY 17 1HA GLY 17 6.121 22.179 0.938 140 H CYS 18 H CYS 18 4.223 20.055 0.619 141 HA CYS 18 HA CYS 18 5.522 18.020 2.175 142 HB2 CYS 18 2HB CYS 18 2.872 18.763 1.663 143 HB3 CYS 18 1HB CYS 18 3.023 17.168 0.905 144 HG CYS 18 HG CYS 18 2.918 17.669 3.880 145 H LEU 19 H LEU 19 4.735 18.490 -1.202 146 HA LEU 19 HA LEU 19 5.206 15.790 -1.983 147 HB2 LEU 19 2HB LEU 19 4.001 17.465 -3.389 148 HB3 LEU 19 1HB LEU 19 5.536 18.291 -3.656 149 HG LEU 19 HG LEU 19 6.477 16.347 -4.744 150 HD11 LEU 19 1HD1 LEU 19 4.043 15.002 -3.612 151 HD12 LEU 19 2HD1 LEU 19 5.710 14.431 -3.697 152 HD13 LEU 19 3HD1 LEU 19 4.698 14.409 -5.138 153 HD21 LEU 19 3HD2 LEU 19 4.122 16.013 -6.279 154 HD22 LEU 19 1HD2 LEU 19 5.462 17.112 -6.602 155 HD23 LEU 19 2HD2 LEU 19 4.076 17.666 -5.663 156 H ARG 20 H ARG 20 7.203 18.630 -1.555 157 HA ARG 20 HA ARG 20 9.636 17.530 -2.599 158 HB2 ARG 20 2HB ARG 20 9.076 19.756 -0.619 159 HB3 ARG 20 1HB ARG 20 10.665 19.398 -1.279 160 HG2 ARG 20 2HG ARG 20 8.227 20.052 -2.931 161 HG3 ARG 20 1HG ARG 20 9.507 21.200 -2.525 162 HD2 ARG 20 2HD ARG 20 9.579 18.863 -4.385 163 HD3 ARG 20 1HD ARG 20 10.274 20.469 -4.580 164 HE ARG 20 HE ARG 20 11.436 18.641 -2.581 165 HH11 ARG 20 1HH2 ARG 20 11.619 20.406 -5.559 166 HH12 ARG 20 2HH2 ARG 20 13.333 20.224 -5.716 167 HH21 ARG 20 1HH1 ARG 20 13.681 18.402 -2.789 168 HH22 ARG 20 2HH1 ARG 20 14.499 19.091 -4.151 169 H SER 21 H SER 21 8.054 17.789 0.471 170 HA SER 21 HA SER 21 9.958 16.679 2.221 171 HB2 SER 21 2HB SER 21 6.976 16.395 2.417 172 HB3 SER 21 1HB SER 21 8.147 16.564 3.730 173 HG SER 21 HG SER 21 8.483 18.667 3.125 174 H LEU 22 H LEU 22 7.225 15.120 0.540 175 HA LEU 22 HA LEU 22 7.855 12.491 1.359 176 HB2 LEU 22 2HB LEU 22 5.969 13.748 -0.396 177 HB3 LEU 22 1HB LEU 22 6.715 12.384 -1.230 178 HG LEU 22 HG LEU 22 6.248 10.965 0.771 179 HD11 LEU 22 1HD1 LEU 22 5.224 11.767 2.627 180 HD12 LEU 22 2HD1 LEU 22 4.227 12.907 1.725 181 HD13 LEU 22 3HD1 LEU 22 5.906 13.304 2.096 182 HD21 LEU 22 3HD2 LEU 22 4.086 12.316 -0.808 183 HD22 LEU 22 1HD2 LEU 22 3.667 11.127 0.423 184 HD23 LEU 22 2HD2 LEU 22 4.693 10.659 -0.936 185 H SER 23 H SER 23 8.499 14.148 -1.740 186 HA SER 23 HA SER 23 9.984 12.119 -2.880 187 HB2 SER 23 2HB SER 23 9.580 13.548 -4.505 188 HB3 SER 23 1HB SER 23 9.586 14.949 -3.422 189 HG SER 23 HG SER 23 11.966 14.514 -3.340 190 H LEU 24 H LEU 24 10.914 14.438 -0.492 191 HA LEU 24 HA LEU 24 13.712 14.182 -0.722 192 HB2 LEU 24 2HB LEU 24 11.829 15.286 1.161 193 HB3 LEU 24 1HB LEU 24 13.108 14.413 2.004 194 HG LEU 24 HG LEU 24 13.640 16.823 1.535 195 HD11 LEU 24 1HD1 LEU 24 15.241 14.486 1.143 196 HD12 LEU 24 2HD1 LEU 24 15.751 16.072 1.720 197 HD13 LEU 24 3HD1 LEU 24 15.764 15.717 -0.007 198 HD21 LEU 24 3HD2 LEU 24 12.719 16.116 -1.044 199 HD22 LEU 24 1HD2 LEU 24 14.445 16.439 -1.204 200 HD23 LEU 24 2HD2 LEU 24 13.375 17.670 -0.534 201 H ILE 25 H ILE 25 11.194 12.175 0.669 202 HA ILE 25 HA ILE 25 13.260 10.167 1.346 203 HB ILE 25 HB ILE 25 11.919 11.231 3.286 204 HG12 ILE 25 2HG1 ILE 25 11.496 8.493 3.811 205 HG13 ILE 25 1HG1 ILE 25 12.833 8.545 2.704 206 HG21 ILE 25 1HG2 ILE 25 9.956 9.098 2.830 207 HG22 ILE 25 2HG2 ILE 25 9.768 10.484 1.737 208 HG23 ILE 25 3HG2 ILE 25 9.701 10.715 3.489 209 HD11 ILE 25 3HD1 ILE 25 13.918 8.777 4.766 210 HD12 ILE 25 1HD1 ILE 25 12.589 9.715 5.456 211 HD13 ILE 25 2HD1 ILE 25 13.699 10.464 4.299 212 H ILE 26 H ILE 26 11.553 10.555 -1.168 213 HA ILE 26 HA ILE 26 9.639 8.509 -1.262 214 HB ILE 26 HB ILE 26 11.014 10.320 -3.122 215 HG12 ILE 26 2HG1 ILE 26 8.675 10.576 -2.157 216 HG13 ILE 26 1HG1 ILE 26 8.795 10.712 -3.913 217 HG21 ILE 26 1HG2 ILE 26 10.058 7.645 -3.952 218 HG22 ILE 26 2HG2 ILE 26 11.586 8.409 -4.355 219 HG23 ILE 26 3HG2 ILE 26 10.082 8.985 -5.084 220 HD11 ILE 26 3HD1 ILE 26 7.151 8.977 -2.491 221 HD12 ILE 26 1HD1 ILE 26 8.453 7.975 -3.130 222 HD13 ILE 26 2HD1 ILE 26 7.484 8.965 -4.223 223 H LYS 27 H LYS 27 9.803 6.362 -1.617 224 HA LYS 27 HA LYS 27 12.478 5.307 -2.355 225 HB2 LYS 27 2HB LYS 27 11.086 4.847 0.018 226 HB3 LYS 27 1HB LYS 27 10.856 3.384 -0.935 227 HG2 LYS 27 2HG LYS 27 12.888 2.976 0.147 228 HG3 LYS 27 1HG LYS 27 13.408 3.575 -1.417 229 HD2 LYS 27 2HD LYS 27 14.067 5.636 -0.559 230 HD3 LYS 27 1HD LYS 27 12.984 5.525 0.826 231 HE2 LYS 27 2HE LYS 27 14.387 3.945 1.928 232 HE3 LYS 27 1HE LYS 27 15.330 3.657 0.465 233 HZ1 LYS 27 3HZ LYS 27 16.129 5.296 2.364 234 HZ2 LYS 27 1HZ LYS 27 15.214 6.398 1.454 235 HZ3 LYS 27 2HZ LYS 27 16.499 5.557 0.726 236 H THR 28 H THR 28 12.527 3.520 -3.777 237 HA THR 28 HA THR 28 9.939 2.799 -5.010 238 HB THR 28 HB THR 28 11.382 2.745 -7.204 239 HG1 THR 28 1HG THR 28 12.661 4.818 -5.777 240 HG21 THR 28 3HG2 THR 28 10.708 5.081 -7.648 241 HG22 THR 28 1HG2 THR 28 10.421 5.318 -5.924 242 HG23 THR 28 2HG2 THR 28 9.426 4.183 -6.836 243 H SER 29 H SER 29 9.635 0.681 -5.104 244 HA SER 29 HA SER 29 11.999 -1.102 -5.066 245 HB2 SER 29 2HB SER 29 10.400 -2.776 -4.024 246 HB3 SER 29 1HB SER 29 10.811 -1.401 -3.001 247 HG SER 29 HG SER 29 8.797 -0.528 -4.263 248 H PHE 30 H PHE 30 11.954 -2.934 -6.432 249 HA PHE 30 HA PHE 30 9.753 -2.982 -8.408 250 HB2 PHE 30 2HB PHE 30 12.022 -3.817 -9.794 251 HB3 PHE 30 1HB PHE 30 11.200 -2.267 -9.961 252 HD1 PHE 30 2HD PHE 30 13.683 -3.986 -7.732 253 HD2 PHE 30 1HD PHE 30 12.395 -0.310 -9.544 254 HE1 PHE 30 2HE PHE 30 15.667 -2.827 -6.795 255 HE2 PHE 30 1HE PHE 30 14.379 0.848 -8.608 256 HZ PHE 30 HZ PHE 30 16.015 -0.412 -7.234 257 H CYS 31 H CYS 31 9.183 -4.979 -9.244 258 HA CYS 31 HA CYS 31 10.586 -7.333 -8.142 259 HB2 CYS 31 2HB CYS 31 7.581 -7.158 -8.361 260 HB3 CYS 31 1HB CYS 31 8.542 -8.422 -7.582 261 HG CYS 31 HG CYS 31 8.603 -7.045 -5.527 262 H ALA 32 H ALA 32 10.403 -9.244 -9.388 263 HA ALA 32 HA ALA 32 9.632 -8.757 -12.199 264 HB1 ALA 32 1HB ALA 32 12.048 -9.807 -10.963 265 HB2 ALA 32 2HB ALA 32 11.792 -9.247 -12.616 266 HB3 ALA 32 3HB ALA 32 11.394 -10.908 -12.174 267 HA PRO 33 HA PRO 33 6.949 -12.267 -12.247 268 HB2 PRO 33 2HB PRO 33 8.557 -13.660 -14.310 269 HB3 PRO 33 1HB PRO 33 6.880 -13.091 -14.384 270 HG2 PRO 33 2HG PRO 33 8.868 -11.887 -15.721 271 HG3 PRO 33 1HG PRO 33 7.476 -11.001 -15.076 272 HD2 PRO 33 2HD PRO 33 10.279 -11.117 -14.042 273 HD3 PRO 33 1HD PRO 33 9.108 -9.780 -13.999 274 H GLY 34 H GLY 34 6.860 -13.885 -10.772 275 HA2 GLY 34 2HA GLY 34 7.449 -15.749 -9.545 276 HA3 GLY 34 1HA GLY 34 8.742 -16.035 -10.709 277 H GLU 35 H GLU 35 8.996 -12.889 -9.675 278 HA GLU 35 HA GLU 35 11.358 -13.449 -8.154 279 HB2 GLU 35 2HB GLU 35 10.743 -11.421 -9.709 280 HB3 GLU 35 1HB GLU 35 10.145 -10.758 -8.202 281 HG2 GLU 35 2HG GLU 35 12.844 -11.991 -8.120 282 HG3 GLU 35 1HG GLU 35 12.665 -10.477 -8.977 283 H PHE 36 H PHE 36 11.597 -13.649 -6.034 284 HA PHE 36 HA PHE 36 9.265 -13.462 -4.306 285 HB2 PHE 36 2HB PHE 36 11.895 -14.753 -4.226 286 HB3 PHE 36 1HB PHE 36 11.410 -14.058 -2.680 287 HD1 PHE 36 1HD PHE 36 9.259 -15.482 -5.383 288 HD2 PHE 36 2HD PHE 36 10.766 -15.923 -1.386 289 HE1 PHE 36 1HE PHE 36 7.719 -17.390 -5.011 290 HE2 PHE 36 2HE PHE 36 9.224 -17.831 -1.014 291 HZ PHE 36 HZ PHE 36 7.700 -18.562 -2.828 292 H LEU 37 H LEU 37 8.720 -11.565 -3.407 293 HA LEU 37 HA LEU 37 10.790 -9.551 -2.955 294 HB2 LEU 37 2HB LEU 37 8.341 -9.208 -3.947 295 HB3 LEU 37 1HB LEU 37 7.970 -9.014 -2.232 296 HG LEU 37 HG LEU 37 9.798 -7.335 -2.055 297 HD11 LEU 37 1HD1 LEU 37 10.296 -6.434 -4.557 298 HD12 LEU 37 2HD1 LEU 37 10.142 -8.159 -4.889 299 HD13 LEU 37 3HD1 LEU 37 11.341 -7.585 -3.730 300 HD21 LEU 37 3HD2 LEU 37 7.722 -6.301 -2.294 301 HD22 LEU 37 1HD2 LEU 37 7.452 -6.984 -3.897 302 HD23 LEU 37 2HD2 LEU 37 8.585 -5.648 -3.686 303 H ILE 38 H ILE 38 8.356 -11.413 -1.023 304 HA ILE 38 HA ILE 38 10.037 -10.787 1.264 305 HB ILE 38 HB ILE 38 8.372 -10.063 2.657 306 HG12 ILE 38 2HG1 ILE 38 5.894 -10.243 1.797 307 HG13 ILE 38 1HG1 ILE 38 6.560 -11.602 0.893 308 HG21 ILE 38 1HG2 ILE 38 8.767 -8.352 1.051 309 HG22 ILE 38 2HG2 ILE 38 7.053 -8.359 1.472 310 HG23 ILE 38 3HG2 ILE 38 7.592 -9.054 -0.060 311 HD11 ILE 38 3HD1 ILE 38 7.177 -11.318 3.802 312 HD12 ILE 38 1HD1 ILE 38 7.151 -12.744 2.780 313 HD13 ILE 38 2HD1 ILE 38 5.638 -11.992 3.282 314 H ARG 39 H ARG 39 9.855 -12.208 3.005 315 HA ARG 39 HA ARG 39 8.671 -14.818 2.299 316 HB2 ARG 39 2HB ARG 39 11.058 -14.943 1.867 317 HB3 ARG 39 1HB ARG 39 11.388 -14.307 3.463 318 HG2 ARG 39 2HG ARG 39 11.660 -16.715 3.515 319 HG3 ARG 39 1HG ARG 39 10.248 -16.259 4.466 320 HD2 ARG 39 2HD ARG 39 8.827 -17.329 3.068 321 HD3 ARG 39 1HD ARG 39 9.633 -16.670 1.646 322 HE ARG 39 HE ARG 39 11.398 -18.532 2.399 323 HH11 ARG 39 1HH2 ARG 39 7.944 -18.602 2.182 324 HH12 ARG 39 2HH2 ARG 39 7.865 -20.296 1.827 325 HH21 ARG 39 1HH1 ARG 39 11.300 -20.752 1.940 326 HH22 ARG 39 2HH1 ARG 39 9.762 -21.512 1.690 327 H GLN 40 H GLN 40 7.216 -15.333 3.729 328 HA GLN 40 HA GLN 40 6.051 -14.516 5.793 329 HB2 GLN 40 2HB GLN 40 7.565 -17.070 6.328 330 HB3 GLN 40 1HB GLN 40 5.955 -16.622 6.894 331 HG2 GLN 40 2HG GLN 40 5.043 -16.771 4.678 332 HG3 GLN 40 1HG GLN 40 6.648 -16.914 3.963 333 HE21 GLN 40 1HE2 GLN 40 6.876 -18.692 6.735 334 HE22 GLN 40 2HE2 GLN 40 6.429 -20.217 6.136 335 H GLY 41 H GLY 41 6.360 -13.335 7.561 336 HA2 GLY 41 2HA GLY 41 7.276 -12.864 9.677 337 HA3 GLY 41 1HA GLY 41 8.695 -13.806 9.251 338 H ASP 42 H ASP 42 7.931 -11.719 6.715 339 HA ASP 42 HA ASP 42 10.291 -10.191 7.067 340 HB2 ASP 42 2HB ASP 42 7.889 -9.862 5.283 341 HB3 ASP 42 1HB ASP 42 9.201 -8.682 5.302 342 H ALA 43 H ALA 43 10.291 -7.769 7.119 343 HA ALA 43 HA ALA 43 8.507 -6.850 9.280 344 HB1 ALA 43 1HB ALA 43 11.324 -6.257 8.495 345 HB2 ALA 43 2HB ALA 43 10.643 -6.542 10.098 346 HB3 ALA 43 3HB ALA 43 10.395 -4.988 9.297 347 H LEU 44 H LEU 44 6.886 -5.577 8.650 348 HA LEU 44 HA LEU 44 7.073 -4.121 6.117 349 HB2 LEU 44 2HB LEU 44 5.063 -5.422 6.513 350 HB3 LEU 44 1HB LEU 44 4.757 -4.533 8.008 351 HG LEU 44 HG LEU 44 4.442 -2.470 6.794 352 HD11 LEU 44 1HD1 LEU 44 5.564 -4.099 4.529 353 HD12 LEU 44 2HD1 LEU 44 6.034 -2.486 5.070 354 HD13 LEU 44 3HD1 LEU 44 4.525 -2.715 4.186 355 HD21 LEU 44 3HD2 LEU 44 2.797 -3.608 4.902 356 HD22 LEU 44 1HD2 LEU 44 2.356 -3.341 6.588 357 HD23 LEU 44 2HD2 LEU 44 2.975 -4.911 6.076 358 H GLN 45 H GLN 45 7.993 -2.166 6.227 359 HA GLN 45 HA GLN 45 7.191 -0.389 8.449 360 HB2 GLN 45 2HB GLN 45 9.853 -1.212 7.620 361 HB3 GLN 45 1HB GLN 45 9.665 0.539 7.550 362 HG2 GLN 45 2HG GLN 45 8.834 0.562 9.860 363 HG3 GLN 45 1HG GLN 45 8.968 -1.193 9.939 364 HE21 GLN 45 1HE2 GLN 45 11.552 -0.679 8.137 365 HE22 GLN 45 2HE2 GLN 45 12.728 -0.332 9.311 366 H ALA 46 H ALA 46 7.494 -0.916 5.094 367 HA ALA 46 HA ALA 46 6.807 1.914 4.567 368 HB1 ALA 46 1HB ALA 46 7.929 0.479 2.286 369 HB2 ALA 46 2HB ALA 46 9.050 0.551 3.645 370 HB3 ALA 46 3HB ALA 46 8.391 2.038 2.969 371 H ILE 47 H ILE 47 5.241 2.309 2.966 372 HA ILE 47 HA ILE 47 3.441 0.028 2.472 373 HB ILE 47 HB ILE 47 2.524 2.146 3.449 374 HG12 ILE 47 2HG1 ILE 47 0.940 2.356 1.168 375 HG13 ILE 47 1HG1 ILE 47 1.597 0.723 1.066 376 HG21 ILE 47 1HG2 ILE 47 3.104 3.289 0.702 377 HG22 ILE 47 2HG2 ILE 47 4.065 3.647 2.137 378 HG23 ILE 47 3HG2 ILE 47 2.370 4.129 2.068 379 HD11 ILE 47 3HD1 ILE 47 -0.009 1.943 3.319 380 HD12 ILE 47 1HD1 ILE 47 0.918 0.456 3.521 381 HD13 ILE 47 2HD1 ILE 47 -0.400 0.521 2.352 382 H TYR 48 H TYR 48 2.925 -0.676 0.386 383 HA TYR 48 HA TYR 48 4.587 0.530 -1.754 384 HB2 TYR 48 2HB TYR 48 3.506 -2.283 -1.653 385 HB3 TYR 48 1HB TYR 48 4.575 -1.618 -2.875 386 HD1 TYR 48 1HD TYR 48 4.425 -2.067 0.851 387 HD2 TYR 48 2HD TYR 48 6.861 -1.986 -2.676 388 HE1 TYR 48 1HE TYR 48 6.380 -2.771 2.196 389 HE2 TYR 48 2HE TYR 48 8.825 -2.687 -1.333 390 HH TYR 48 HH TYR 48 9.399 -2.409 1.366 391 H PHE 49 H PHE 49 3.799 0.601 -3.850 392 HA PHE 49 HA PHE 49 0.899 0.293 -4.269 393 HB2 PHE 49 2HB PHE 49 2.035 2.791 -3.934 394 HB3 PHE 49 1HB PHE 49 2.119 2.554 -5.678 395 HD1 PHE 49 1HD PHE 49 -0.152 1.539 -6.777 396 HD2 PHE 49 2HD PHE 49 0.101 3.702 -3.059 397 HE1 PHE 49 1HE PHE 49 -2.540 2.142 -6.955 398 HE2 PHE 49 2HE PHE 49 -2.302 4.281 -3.241 399 HZ PHE 49 HZ PHE 49 -3.621 3.503 -5.189 400 H VAL 50 H VAL 50 0.482 -0.589 -6.260 401 HA VAL 50 HA VAL 50 2.790 -1.085 -7.984 402 HB VAL 50 HB VAL 50 0.533 -2.600 -7.059 403 HG11 VAL 50 1HG1 VAL 50 -0.315 -1.944 -9.263 404 HG12 VAL 50 2HG1 VAL 50 -0.064 -3.677 -9.145 405 HG13 VAL 50 3HG1 VAL 50 1.087 -2.668 -10.029 406 HG21 VAL 50 3HG2 VAL 50 1.971 -4.473 -7.901 407 HG22 VAL 50 1HG2 VAL 50 2.826 -3.351 -6.842 408 HG23 VAL 50 2HG2 VAL 50 3.062 -3.268 -8.589 409 H CYS 51 H CYS 51 2.896 -0.215 -9.986 410 HA CYS 51 HA CYS 51 0.671 1.545 -10.764 411 HB2 CYS 51 2HB CYS 51 3.420 1.936 -10.735 412 HB3 CYS 51 1HB CYS 51 3.056 1.657 -12.439 413 HG CYS 51 HG CYS 51 1.075 3.555 -11.975 414 H SER 52 H SER 52 2.540 -1.214 -11.844 415 HA SER 52 HA SER 52 0.484 -2.031 -13.661 416 HB2 SER 52 2HB SER 52 1.283 -1.342 -15.655 417 HB3 SER 52 1HB SER 52 2.261 -0.204 -14.734 418 HG SER 52 HG SER 52 3.697 -2.213 -14.549 419 H GLY 53 H GLY 53 0.737 -4.182 -14.289 420 HA2 GLY 53 2HA GLY 53 2.304 -6.078 -14.640 421 HA3 GLY 53 1HA GLY 53 3.109 -5.556 -13.163 422 H SER 54 H SER 54 2.710 -7.754 -12.344 423 HA SER 54 HA SER 54 0.154 -7.851 -10.938 424 HB2 SER 54 2HB SER 54 0.773 -10.392 -12.323 425 HB3 SER 54 1HB SER 54 -0.783 -9.657 -11.952 426 HG SER 54 HG SER 54 -0.356 -9.592 -14.182 427 H MET 55 H MET 55 0.211 -9.072 -9.057 428 HA MET 55 HA MET 55 2.393 -10.891 -8.568 429 HB2 MET 55 2HB MET 55 3.285 -9.659 -6.606 430 HB3 MET 55 1HB MET 55 3.567 -8.817 -8.128 431 HG2 MET 55 2HG MET 55 2.542 -7.024 -7.262 432 HG3 MET 55 1HG MET 55 1.041 -7.950 -7.233 433 HE1 MET 55 3HE MET 55 4.474 -8.209 -5.352 434 HE2 MET 55 1HE MET 55 4.082 -7.375 -3.842 435 HE3 MET 55 2HE MET 55 4.017 -6.507 -5.373 436 H GLU 56 H GLU 56 2.325 -11.782 -6.334 437 HA GLU 56 HA GLU 56 -0.158 -11.508 -4.867 438 HB2 GLU 56 2HB GLU 56 0.195 -14.311 -5.583 439 HB3 GLU 56 1HB GLU 56 -1.257 -13.333 -5.635 440 HG2 GLU 56 2HG GLU 56 -0.689 -12.442 -7.769 441 HG3 GLU 56 1HG GLU 56 0.914 -13.186 -7.738 442 H VAL 57 H VAL 57 -0.106 -12.642 -2.843 443 HA VAL 57 HA VAL 57 2.627 -13.305 -1.993 444 HB VAL 57 HB VAL 57 1.992 -12.817 0.181 445 HG11 VAL 57 1HG1 VAL 57 0.199 -11.202 -1.640 446 HG12 VAL 57 2HG1 VAL 57 1.789 -10.758 -1.025 447 HG13 VAL 57 3HG1 VAL 57 0.410 -10.834 0.071 448 HG21 VAL 57 3HG2 VAL 57 -0.591 -12.703 0.687 449 HG22 VAL 57 1HG2 VAL 57 0.243 -14.256 0.682 450 HG23 VAL 57 2HG2 VAL 57 -0.704 -13.758 -0.720 451 H LEU 58 H LEU 58 3.196 -15.365 -1.367 452 HA LEU 58 HA LEU 58 1.223 -17.468 -1.925 453 HB2 LEU 58 2HB LEU 58 3.952 -17.079 -2.645 454 HB3 LEU 58 1HB LEU 58 3.840 -18.538 -1.666 455 HG LEU 58 HG LEU 58 2.257 -17.905 -4.175 456 HD11 LEU 58 1HD1 LEU 58 4.261 -18.748 -4.958 457 HD12 LEU 58 2HD1 LEU 58 3.408 -20.263 -4.661 458 HD13 LEU 58 3HD1 LEU 58 4.575 -19.661 -3.483 459 HD21 LEU 58 3HD2 LEU 58 1.752 -20.534 -3.533 460 HD22 LEU 58 1HD2 LEU 58 0.657 -19.192 -3.196 461 HD23 LEU 58 2HD2 LEU 58 1.760 -19.767 -1.944 462 H LYS 59 H LYS 59 0.355 -18.546 -0.315 463 HA LYS 59 HA LYS 59 1.946 -19.500 1.865 464 HB2 LYS 59 2HB LYS 59 1.635 -17.368 2.803 465 HB3 LYS 59 1HB LYS 59 -0.037 -17.298 2.311 466 HG2 LYS 59 2HG LYS 59 0.071 -17.758 4.706 467 HG3 LYS 59 1HG LYS 59 -0.554 -19.177 3.872 468 HD2 LYS 59 2HD LYS 59 1.093 -19.910 5.494 469 HD3 LYS 59 1HD LYS 59 1.779 -20.131 3.891 470 HE2 LYS 59 2HE LYS 59 3.337 -19.072 5.582 471 HE3 LYS 59 1HE LYS 59 3.122 -18.144 4.096 472 HZ1 LYS 59 3HZ LYS 59 1.704 -16.647 5.158 473 HZ2 LYS 59 1HZ LYS 59 2.925 -16.915 6.304 474 HZ3 LYS 59 2HZ LYS 59 1.420 -17.685 6.473 475 H ASP 60 H ASP 60 1.002 -21.207 2.943 476 HA ASP 60 HA ASP 60 -0.391 -22.994 3.261 477 HB2 ASP 60 2HB ASP 60 -2.492 -20.933 2.572 478 HB3 ASP 60 1HB ASP 60 -2.828 -22.529 3.240 479 H ASN 61 H ASN 61 0.849 -22.917 0.790 480 HA ASN 61 HA ASN 61 0.788 -24.030 -1.214 481 HB2 ASN 61 2HB ASN 61 -1.294 -25.224 0.380 482 HB3 ASN 61 1HB ASN 61 -1.776 -25.190 -1.315 483 HD21 ASN 61 1HD2 ASN 61 0.291 -25.805 -2.824 484 HD22 ASN 61 2HD2 ASN 61 1.113 -27.201 -2.315 485 H THR 62 H THR 62 -1.404 -21.596 -0.403 486 HA THR 62 HA THR 62 -2.063 -21.259 -3.265 487 HB THR 62 HB THR 62 -3.933 -20.530 -1.028 488 HG1 THR 62 1HG THR 62 -3.405 -22.902 -1.749 489 HG21 THR 62 3HG2 THR 62 -4.272 -20.693 -4.039 490 HG22 THR 62 1HG2 THR 62 -4.191 -19.193 -3.102 491 HG23 THR 62 2HG2 THR 62 -5.553 -20.303 -2.897 492 H VAL 63 H VAL 63 -2.472 -19.103 -3.913 493 HA VAL 63 HA VAL 63 -0.671 -17.244 -2.745 494 HB VAL 63 HB VAL 63 -2.178 -15.763 -4.446 495 HG11 VAL 63 1HG1 VAL 63 -0.029 -17.762 -5.215 496 HG12 VAL 63 2HG1 VAL 63 0.285 -16.180 -4.506 497 HG13 VAL 63 3HG1 VAL 63 -0.452 -16.302 -6.107 498 HG21 VAL 63 3HG2 VAL 63 -3.604 -17.854 -4.764 499 HG22 VAL 63 1HG2 VAL 63 -2.182 -18.591 -5.493 500 HG23 VAL 63 2HG2 VAL 63 -2.927 -17.181 -6.249 501 H LEU 64 H LEU 64 -1.099 -16.160 -0.901 502 HA LEU 64 HA LEU 64 -3.738 -16.121 0.187 503 HB2 LEU 64 2HB LEU 64 -1.165 -15.826 1.197 504 HB3 LEU 64 1HB LEU 64 -1.907 -14.250 1.444 505 HG LEU 64 HG LEU 64 -3.947 -15.767 2.289 506 HD11 LEU 64 1HD1 LEU 64 -2.094 -17.728 1.792 507 HD12 LEU 64 2HD1 LEU 64 -3.409 -17.878 2.958 508 HD13 LEU 64 3HD1 LEU 64 -1.801 -17.394 3.502 509 HD21 LEU 64 3HD2 LEU 64 -2.685 -15.663 4.608 510 HD22 LEU 64 1HD2 LEU 64 -3.155 -14.173 3.790 511 HD23 LEU 64 2HD2 LEU 64 -1.492 -14.751 3.683 512 H ALA 65 H ALA 65 -2.005 -13.944 -1.896 513 HA ALA 65 HA ALA 65 -4.348 -12.177 -1.755 514 HB1 ALA 65 1HB ALA 65 -3.293 -10.361 -0.937 515 HB2 ALA 65 2HB ALA 65 -1.885 -10.624 -1.963 516 HB3 ALA 65 3HB ALA 65 -2.019 -11.464 -0.420 517 H ILE 66 H ILE 66 -4.977 -11.620 -3.732 518 HA ILE 66 HA ILE 66 -3.030 -11.931 -5.937 519 HB ILE 66 HB ILE 66 -5.914 -12.747 -5.705 520 HG12 ILE 66 2HG1 ILE 66 -4.845 -14.718 -7.030 521 HG13 ILE 66 1HG1 ILE 66 -3.304 -14.012 -6.548 522 HG21 ILE 66 1HG2 ILE 66 -5.555 -13.141 -8.300 523 HG22 ILE 66 2HG2 ILE 66 -4.436 -11.788 -8.128 524 HG23 ILE 66 3HG2 ILE 66 -6.135 -11.586 -7.702 525 HD11 ILE 66 3HD1 ILE 66 -3.763 -14.315 -4.240 526 HD12 ILE 66 1HD1 ILE 66 -4.292 -15.816 -4.990 527 HD13 ILE 66 2HD1 ILE 66 -5.477 -14.592 -4.531 528 H LEU 67 H LEU 67 -2.497 -9.852 -6.490 529 HA LEU 67 HA LEU 67 -4.740 -8.009 -6.996 530 HB2 LEU 67 2HB LEU 67 -2.699 -6.330 -6.279 531 HB3 LEU 67 1HB LEU 67 -4.043 -6.797 -5.239 532 HG LEU 67 HG LEU 67 -2.666 -8.772 -4.493 533 HD11 LEU 67 1HD1 LEU 67 -1.219 -8.392 -6.681 534 HD12 LEU 67 2HD1 LEU 67 -0.483 -9.066 -5.225 535 HD13 LEU 67 3HD1 LEU 67 -0.281 -7.355 -5.610 536 HD21 LEU 67 3HD2 LEU 67 -1.283 -7.474 -2.979 537 HD22 LEU 67 1HD2 LEU 67 -2.784 -6.585 -3.239 538 HD23 LEU 67 2HD2 LEU 67 -1.310 -6.090 -4.072 539 H GLY 68 H GLY 68 -4.188 -6.174 -8.395 540 HA2 GLY 68 2HA GLY 68 -2.058 -6.832 -10.337 541 HA3 GLY 68 1HA GLY 68 -3.675 -6.378 -10.863 542 H LYS 69 H LYS 69 -2.818 -4.616 -12.015 543 HA LYS 69 HA LYS 69 -1.140 -2.617 -11.145 544 HB2 LYS 69 2HB LYS 69 -3.506 -2.148 -12.938 545 HB3 LYS 69 1HB LYS 69 -1.933 -1.368 -12.971 546 HG2 LYS 69 2HG LYS 69 -1.333 -2.896 -14.519 547 HG3 LYS 69 1HG LYS 69 -1.318 -4.068 -13.201 548 HD2 LYS 69 2HD LYS 69 -3.556 -4.754 -13.654 549 HD3 LYS 69 1HD LYS 69 -3.838 -3.377 -14.719 550 HE2 LYS 69 2HE LYS 69 -2.711 -4.328 -16.479 551 HE3 LYS 69 1HE LYS 69 -1.575 -5.176 -15.429 552 HZ1 LYS 69 3HZ LYS 69 -3.070 -6.871 -15.037 553 HZ2 LYS 69 1HZ LYS 69 -3.361 -6.518 -16.670 554 HZ3 LYS 69 2HZ LYS 69 -4.420 -5.938 -15.476 555 H GLY 70 H GLY 70 -1.287 -0.871 -9.893 556 HA2 GLY 70 2HA GLY 70 -2.221 0.933 -8.775 557 HA3 GLY 70 1HA GLY 70 -3.813 0.367 -9.231 558 H ASP 71 H ASP 71 -2.552 -2.333 -8.073 559 HA ASP 71 HA ASP 71 -4.008 -2.263 -5.659 560 HB2 ASP 71 2HB ASP 71 -3.246 -4.448 -5.299 561 HB3 ASP 71 1HB ASP 71 -3.273 -4.291 -7.055 562 H LEU 72 H LEU 72 -3.502 -1.669 -3.659 563 HA LEU 72 HA LEU 72 -0.766 -0.722 -3.130 564 HB2 LEU 72 2HB LEU 72 -2.498 0.970 -2.826 565 HB3 LEU 72 1HB LEU 72 -3.396 -0.103 -1.754 566 HG LEU 72 HG LEU 72 -1.207 -0.141 -0.338 567 HD11 LEU 72 1HD1 LEU 72 -0.168 1.241 -2.400 568 HD12 LEU 72 2HD1 LEU 72 0.416 1.417 -0.745 569 HD13 LEU 72 3HD1 LEU 72 -0.729 2.584 -1.402 570 HD21 LEU 72 3HD2 LEU 72 -3.323 1.923 -0.569 571 HD22 LEU 72 1HD2 LEU 72 -1.921 2.365 0.406 572 HD23 LEU 72 2HD2 LEU 72 -2.862 0.932 0.817 573 H ILE 73 H ILE 73 0.333 -1.389 -1.265 574 HA ILE 73 HA ILE 73 -0.842 -3.742 0.059 575 HB ILE 73 HB ILE 73 1.095 -4.916 -0.112 576 HG12 ILE 73 2HG1 ILE 73 3.355 -3.728 -0.164 577 HG13 ILE 73 1HG1 ILE 73 2.443 -2.270 0.255 578 HG21 ILE 73 1HG2 ILE 73 1.203 -2.840 -2.227 579 HG22 ILE 73 2HG2 ILE 73 0.762 -4.534 -2.382 580 HG23 ILE 73 3HG2 ILE 73 2.450 -4.079 -2.149 581 HD11 ILE 73 3HD1 ILE 73 3.378 -4.286 2.012 582 HD12 ILE 73 1HD1 ILE 73 1.625 -4.459 1.948 583 HD13 ILE 73 2HD1 ILE 73 2.344 -2.917 2.412 584 H GLY 74 H GLY 74 -0.506 -4.026 2.172 585 HA2 GLY 74 2HA GLY 74 0.691 -3.368 4.243 586 HA3 GLY 74 1HA GLY 74 0.479 -1.701 3.717 587 H SER 75 H SER 75 -0.401 -3.063 6.189 588 HA SER 75 HA SER 75 -3.284 -3.260 6.028 589 HB2 SER 75 2HB SER 75 -2.790 -3.087 8.683 590 HB3 SER 75 1HB SER 75 -2.653 -4.593 7.777 591 HG SER 75 HG SER 75 -0.415 -3.986 7.433 592 H ASP 76 H ASP 76 -4.749 -1.687 6.446 593 HA ASP 76 HA ASP 76 -4.076 1.015 6.332 594 HB2 ASP 76 2HB ASP 76 -6.365 1.473 6.951 595 HB3 ASP 76 1HB ASP 76 -6.346 0.056 5.904 596 H SER 77 H SER 77 -5.246 2.415 8.311 597 HA SER 77 HA SER 77 -4.963 3.255 10.434 598 HB2 SER 77 2HB SER 77 -5.323 0.578 10.847 599 HB3 SER 77 1HB SER 77 -3.739 0.830 11.573 600 HG SER 77 HG SER 77 -6.236 1.848 12.277 601 H LEU 78 H LEU 78 -2.954 3.607 8.504 602 HA LEU 78 HA LEU 78 -0.349 2.988 9.231 603 HB2 LEU 78 2HB LEU 78 -1.637 5.183 7.688 604 HB3 LEU 78 1HB LEU 78 0.034 5.430 8.196 605 HG LEU 78 HG LEU 78 0.690 3.311 7.153 606 HD11 LEU 78 1HD1 LEU 78 -2.242 3.002 7.010 607 HD12 LEU 78 2HD1 LEU 78 -0.983 1.770 7.095 608 HD13 LEU 78 3HD1 LEU 78 -1.383 2.516 5.548 609 HD21 LEU 78 3HD2 LEU 78 -0.031 3.930 4.732 610 HD22 LEU 78 1HD2 LEU 78 0.906 5.108 5.642 611 HD23 LEU 78 2HD2 LEU 78 -0.842 5.311 5.479 612 H THR 79 H THR 79 -2.580 4.698 11.037 613 HA THR 79 HA THR 79 -0.661 6.472 12.335 614 HB THR 79 HB THR 79 -3.452 6.053 13.328 615 HG1 THR 79 1HG THR 79 -3.162 7.931 11.357 616 HG21 THR 79 3HG2 THR 79 -3.237 8.537 13.615 617 HG22 THR 79 1HG2 THR 79 -1.586 8.412 13.010 618 HG23 THR 79 2HG2 THR 79 -2.033 7.614 14.516 619 H LYS 80 H LYS 80 -2.047 3.343 12.776 620 HA LYS 80 HA LYS 80 -1.582 3.218 15.624 621 HB2 LYS 80 2HB LYS 80 -3.369 1.910 14.447 622 HB3 LYS 80 1HB LYS 80 -2.096 0.939 13.706 623 HG2 LYS 80 2HG LYS 80 -1.469 1.022 16.450 624 HG3 LYS 80 1HG LYS 80 -3.209 0.750 16.375 625 HD2 LYS 80 2HD LYS 80 -1.286 -0.840 14.672 626 HD3 LYS 80 1HD LYS 80 -1.700 -1.336 16.312 627 HE2 LYS 80 2HE LYS 80 -4.075 -0.625 14.784 628 HE3 LYS 80 1HE LYS 80 -3.160 -1.912 14.000 629 HZ1 LYS 80 3HZ LYS 80 -4.230 -1.867 16.762 630 HZ2 LYS 80 1HZ LYS 80 -3.082 -3.004 16.244 631 HZ3 LYS 80 2HZ LYS 80 -4.614 -2.950 15.511 632 H GLU 81 H GLU 81 0.688 3.903 13.877 633 HA GLU 81 HA GLU 81 2.601 2.308 13.143 634 HB2 GLU 81 2HB GLU 81 3.976 3.587 15.219 635 HB3 GLU 81 1HB GLU 81 3.762 4.176 13.570 636 HG2 GLU 81 2HG GLU 81 1.847 5.449 14.154 637 HG3 GLU 81 1HG GLU 81 1.657 4.606 15.690 638 H GLN 82 H GLN 82 2.368 0.150 13.695 639 HA GLN 82 HA GLN 82 3.426 -0.568 16.347 640 HB2 GLN 82 2HB GLN 82 0.750 -1.034 15.510 641 HB3 GLN 82 1HB GLN 82 1.588 -2.581 15.503 642 HG2 GLN 82 2HG GLN 82 0.572 -2.056 17.709 643 HG3 GLN 82 1HG GLN 82 2.315 -2.285 17.771 644 HE21 GLN 82 1HE2 GLN 82 2.834 -0.873 19.512 645 HE22 GLN 82 2HE2 GLN 82 2.513 0.795 19.486 646 H VAL 83 H VAL 83 3.954 -3.017 16.336 647 HA VAL 83 HA VAL 83 5.849 -3.428 14.243 648 HB VAL 83 HB VAL 83 6.735 -4.600 15.934 649 HG11 VAL 83 1HG1 VAL 83 5.086 -3.492 17.417 650 HG12 VAL 83 2HG1 VAL 83 5.500 -5.115 17.971 651 HG13 VAL 83 3HG1 VAL 83 3.968 -4.828 17.144 652 HG21 VAL 83 3HG2 VAL 83 5.804 -6.478 14.477 653 HG22 VAL 83 1HG2 VAL 83 4.474 -6.594 15.632 654 HG23 VAL 83 2HG2 VAL 83 6.127 -6.909 16.155 655 H ILE 84 H ILE 84 5.330 -4.038 12.259 656 HA ILE 84 HA ILE 84 3.179 -6.039 11.906 657 HB ILE 84 HB ILE 84 3.842 -3.761 10.026 658 HG12 ILE 84 2HG1 ILE 84 1.275 -4.028 11.565 659 HG13 ILE 84 1HG1 ILE 84 2.680 -3.314 12.355 660 HG21 ILE 84 1HG2 ILE 84 1.269 -5.197 9.862 661 HG22 ILE 84 2HG2 ILE 84 2.678 -6.175 9.454 662 HG23 ILE 84 3HG2 ILE 84 2.355 -4.683 8.571 663 HD11 ILE 84 3HD1 ILE 84 0.923 -1.886 10.846 664 HD12 ILE 84 1HD1 ILE 84 2.120 -2.315 9.623 665 HD13 ILE 84 2HD1 ILE 84 2.613 -1.431 11.066 666 H LYS 85 H LYS 85 3.743 -7.811 10.849 667 HA LYS 85 HA LYS 85 6.079 -7.732 9.064 668 HB2 LYS 85 2HB LYS 85 6.518 -10.126 10.105 669 HB3 LYS 85 1HB LYS 85 7.157 -8.678 10.875 670 HG2 LYS 85 2HG LYS 85 5.360 -8.614 12.457 671 HG3 LYS 85 1HG LYS 85 4.482 -9.862 11.582 672 HD2 LYS 85 2HD LYS 85 5.441 -11.181 13.213 673 HD3 LYS 85 1HD LYS 85 6.732 -11.232 12.015 674 HE2 LYS 85 2HE LYS 85 6.621 -9.773 14.610 675 HE3 LYS 85 1HE LYS 85 7.965 -10.617 13.843 676 HZ1 LYS 85 3HZ LYS 85 6.841 -8.017 12.952 677 HZ2 LYS 85 1HZ LYS 85 8.152 -8.828 12.245 678 HZ3 LYS 85 2HZ LYS 85 8.282 -8.218 13.825 679 H THR 86 H THR 86 5.818 -8.890 7.227 680 HA THR 86 HA THR 86 3.210 -9.962 6.666 681 HB THR 86 HB THR 86 5.647 -10.276 4.902 682 HG1 THR 86 1HG THR 86 5.442 -8.108 5.587 683 HG21 THR 86 3HG2 THR 86 2.659 -10.071 4.458 684 HG22 THR 86 1HG2 THR 86 3.689 -11.466 4.141 685 HG23 THR 86 2HG2 THR 86 3.846 -10.013 3.154 686 H ASN 87 H ASN 87 2.549 -11.877 7.304 687 HA ASN 87 HA ASN 87 4.374 -13.929 8.173 688 HB2 ASN 87 2HB ASN 87 2.051 -13.322 9.133 689 HB3 ASN 87 1HB ASN 87 1.416 -14.303 7.812 690 HD21 ASN 87 1HD2 ASN 87 3.205 -14.415 10.849 691 HD22 ASN 87 2HD2 ASN 87 3.235 -16.108 10.975 692 H ALA 88 H ALA 88 2.657 -13.240 5.237 693 HA ALA 88 HA ALA 88 3.002 -15.975 4.248 694 HB1 ALA 88 1HB ALA 88 1.406 -13.620 3.433 695 HB2 ALA 88 2HB ALA 88 1.004 -15.338 3.344 696 HB3 ALA 88 3HB ALA 88 2.038 -14.603 2.110 697 H ASN 89 H ASN 89 3.525 -15.597 1.620 698 HA ASN 89 HA ASN 89 6.224 -14.375 1.634 699 HB2 ASN 89 2HB ASN 89 5.386 -16.422 -0.388 700 HB3 ASN 89 1HB ASN 89 6.990 -16.091 0.261 701 HD21 ASN 89 1HD2 ASN 89 6.991 -18.550 0.584 702 HD22 ASN 89 2HD2 ASN 89 6.291 -19.159 2.004 703 H VAL 90 H VAL 90 6.819 -13.213 -0.391 704 HA VAL 90 HA VAL 90 4.458 -12.425 -1.933 705 HB VAL 90 HB VAL 90 6.787 -10.847 -0.968 706 HG11 VAL 90 1HG1 VAL 90 6.671 -10.424 -3.260 707 HG12 VAL 90 2HG1 VAL 90 5.868 -9.053 -2.485 708 HG13 VAL 90 3HG1 VAL 90 4.916 -10.327 -3.255 709 HG21 VAL 90 3HG2 VAL 90 4.545 -11.049 0.310 710 HG22 VAL 90 1HG2 VAL 90 3.874 -10.094 -1.011 711 HG23 VAL 90 2HG2 VAL 90 5.159 -9.423 -0.003 712 H LYS 91 H LYS 91 4.551 -12.891 -4.007 713 HA LYS 91 HA LYS 91 7.187 -13.123 -5.293 714 HB2 LYS 91 2HB LYS 91 6.503 -15.405 -4.754 715 HB3 LYS 91 1HB LYS 91 4.937 -15.138 -5.520 716 HG2 LYS 91 2HG LYS 91 6.204 -14.609 -7.665 717 HG3 LYS 91 1HG LYS 91 7.655 -15.201 -6.855 718 HD2 LYS 91 2HD LYS 91 6.983 -17.195 -7.762 719 HD3 LYS 91 1HD LYS 91 5.973 -17.247 -6.318 720 HE2 LYS 91 2HE LYS 91 4.227 -15.964 -7.726 721 HE3 LYS 91 1HE LYS 91 5.190 -16.455 -9.119 722 HZ1 LYS 91 3HZ LYS 91 4.746 -18.630 -7.341 723 HZ2 LYS 91 1HZ LYS 91 4.392 -18.507 -8.994 724 HZ3 LYS 91 2HZ LYS 91 3.274 -17.948 -7.842 725 H ALA 92 H ALA 92 7.228 -11.752 -6.945 726 HA ALA 92 HA ALA 92 4.865 -10.570 -8.041 727 HB1 ALA 92 1HB ALA 92 6.550 -9.081 -8.371 728 HB2 ALA 92 2HB ALA 92 6.804 -9.988 -9.861 729 HB3 ALA 92 3HB ALA 92 7.785 -10.337 -8.438 730 H LEU 93 H LEU 93 3.544 -11.537 -9.417 731 HA LEU 93 HA LEU 93 4.184 -13.975 -10.757 732 HB2 LEU 93 2HB LEU 93 1.864 -12.663 -10.010 733 HB3 LEU 93 1HB LEU 93 1.854 -12.534 -11.767 734 HG LEU 93 HG LEU 93 2.146 -14.961 -11.970 735 HD11 LEU 93 1HD1 LEU 93 2.669 -14.683 -9.073 736 HD12 LEU 93 2HD1 LEU 93 3.261 -15.893 -10.211 737 HD13 LEU 93 3HD1 LEU 93 1.651 -16.055 -9.512 738 HD21 LEU 93 3HD2 LEU 93 -0.120 -14.704 -11.972 739 HD22 LEU 93 1HD2 LEU 93 -0.101 -13.704 -10.518 740 HD23 LEU 93 2HD2 LEU 93 -0.026 -15.461 -10.382 741 H THR 94 H THR 94 3.568 -10.655 -11.810 742 HA THR 94 HA THR 94 5.039 -11.217 -14.309 743 HB THR 94 HB THR 94 3.512 -9.677 -15.478 744 HG1 THR 94 1HG THR 94 1.711 -8.910 -14.398 745 HG21 THR 94 3HG2 THR 94 1.870 -11.749 -14.016 746 HG22 THR 94 1HG2 THR 94 3.058 -12.182 -15.244 747 HG23 THR 94 2HG2 THR 94 1.673 -11.177 -15.672 748 H TYR 95 H TYR 95 6.394 -9.554 -15.017 749 HA TYR 95 HA TYR 95 7.713 -8.014 -13.173 750 HB2 TYR 95 2HB TYR 95 7.700 -6.483 -15.553 751 HB3 TYR 95 1HB TYR 95 8.936 -7.619 -15.007 752 HD1 TYR 95 2HD TYR 95 5.594 -7.522 -16.701 753 HD2 TYR 95 1HD TYR 95 9.346 -9.564 -16.248 754 HE1 TYR 95 2HE TYR 95 4.971 -9.073 -18.533 755 HE2 TYR 95 1HE TYR 95 8.723 -11.115 -18.081 756 HH TYR 95 HH TYR 95 7.131 -10.994 -20.128 757 H CYS 96 H CYS 96 7.069 -6.435 -11.881 758 HA CYS 96 HA CYS 96 5.149 -4.461 -12.906 759 HB2 CYS 96 2HB CYS 96 3.669 -4.685 -11.130 760 HB3 CYS 96 1HB CYS 96 4.135 -6.358 -11.414 761 HG CYS 96 HG CYS 96 4.385 -5.612 -8.819 762 H ASP 97 H ASP 97 5.319 -2.430 -12.051 763 HA ASP 97 HA ASP 97 7.820 -1.874 -10.617 764 HB2 ASP 97 2HB ASP 97 7.470 -0.564 -12.633 765 HB3 ASP 97 1HB ASP 97 5.877 -0.062 -12.071 766 H LEU 98 H LEU 98 7.803 -1.334 -8.508 767 HA LEU 98 HA LEU 98 5.190 -0.629 -7.318 768 HB2 LEU 98 2HB LEU 98 7.375 -2.044 -5.813 769 HB3 LEU 98 1HB LEU 98 5.659 -1.938 -5.428 770 HG LEU 98 HG LEU 98 5.371 -3.148 -7.760 771 HD11 LEU 98 1HD1 LEU 98 7.584 -3.255 -8.567 772 HD12 LEU 98 2HD1 LEU 98 7.326 -4.860 -7.888 773 HD13 LEU 98 3HD1 LEU 98 8.241 -3.658 -6.980 774 HD21 LEU 98 3HD2 LEU 98 6.116 -5.331 -6.235 775 HD22 LEU 98 1HD2 LEU 98 4.549 -4.525 -6.156 776 HD23 LEU 98 2HD2 LEU 98 5.823 -4.092 -5.016 777 H GLN 99 H GLN 99 5.078 1.138 -6.122 778 HA GLN 99 HA GLN 99 7.585 2.580 -5.516 779 HB2 GLN 99 2HB GLN 99 5.813 3.691 -6.995 780 HB3 GLN 99 1HB GLN 99 4.798 3.754 -5.554 781 HG2 GLN 99 2HG GLN 99 7.303 4.710 -4.720 782 HG3 GLN 99 1HG GLN 99 7.030 5.456 -6.294 783 HE21 GLN 99 1HE2 GLN 99 6.292 5.733 -2.981 784 HE22 GLN 99 2HE2 GLN 99 4.992 6.817 -3.119 785 H TYR 100 H TYR 100 7.999 3.132 -3.376 786 HA TYR 100 HA TYR 100 5.934 2.825 -1.391 787 HB2 TYR 100 2HB TYR 100 6.888 1.033 -0.147 788 HB3 TYR 100 1HB TYR 100 6.761 0.465 -1.804 789 HD1 TYR 100 2HD TYR 100 9.252 2.244 -2.743 790 HD2 TYR 100 1HD TYR 100 8.590 -0.548 0.444 791 HE1 TYR 100 2HE TYR 100 11.665 1.714 -2.701 792 HE2 TYR 100 1HE TYR 100 11.000 -1.088 0.466 793 HH TYR 100 HH TYR 100 13.196 0.287 -0.261 794 H ILE 101 H ILE 101 6.616 3.388 0.740 795 HA ILE 101 HA ILE 101 9.207 4.595 1.056 796 HB ILE 101 HB ILE 101 8.436 6.500 0.089 797 HG12 ILE 101 2HG1 ILE 101 7.315 6.750 2.899 798 HG13 ILE 101 1HG1 ILE 101 8.989 7.073 2.426 799 HG21 ILE 101 1HG2 ILE 101 5.750 5.748 1.201 800 HG22 ILE 101 2HG2 ILE 101 6.256 5.616 -0.479 801 HG23 ILE 101 3HG2 ILE 101 6.045 7.206 0.259 802 HD11 ILE 101 3HD1 ILE 101 7.682 9.162 2.489 803 HD12 ILE 101 1HD1 ILE 101 6.542 8.470 1.333 804 HD13 ILE 101 2HD1 ILE 101 8.206 8.792 0.845 805 H SER 102 H SER 102 9.863 4.596 3.126 806 HA SER 102 HA SER 102 8.627 3.055 5.047 807 HB2 SER 102 2HB SER 102 10.217 3.901 6.595 808 HB3 SER 102 1HB SER 102 11.013 3.946 5.024 809 HG SER 102 HG SER 102 10.707 5.931 6.663 810 H LEU 103 H LEU 103 7.057 3.328 6.529 811 HA LEU 103 HA LEU 103 5.151 5.328 6.346 812 HB2 LEU 103 2HB LEU 103 5.193 3.059 7.684 813 HB3 LEU 103 1HB LEU 103 5.698 4.098 9.016 814 HG LEU 103 HG LEU 103 3.309 4.816 7.323 815 HD11 LEU 103 1HD1 LEU 103 3.548 2.810 9.535 816 HD12 LEU 103 2HD1 LEU 103 2.630 2.708 8.032 817 HD13 LEU 103 3HD1 LEU 103 2.059 3.737 9.346 818 HD21 LEU 103 3HD2 LEU 103 4.698 5.984 9.517 819 HD22 LEU 103 1HD2 LEU 103 3.147 5.416 10.135 820 HD23 LEU 103 2HD2 LEU 103 3.198 6.538 8.776 821 H LYS 104 H LYS 104 8.071 5.179 8.310 822 HA LYS 104 HA LYS 104 7.571 7.547 9.813 823 HB2 LYS 104 2HB LYS 104 10.347 6.605 9.191 824 HB3 LYS 104 1HB LYS 104 9.693 7.240 10.702 825 HG2 LYS 104 2HG LYS 104 8.303 5.165 10.911 826 HG3 LYS 104 1HG LYS 104 9.119 4.523 9.485 827 HD2 LYS 104 2HD LYS 104 11.316 4.965 10.740 828 HD3 LYS 104 1HD LYS 104 10.318 5.181 12.179 829 HE2 LYS 104 2HE LYS 104 11.112 2.719 10.854 830 HE3 LYS 104 1HE LYS 104 10.370 2.943 12.438 831 HZ1 LYS 104 3HZ LYS 104 8.245 3.361 11.091 832 HZ2 LYS 104 1HZ LYS 104 8.784 1.764 11.270 833 HZ3 LYS 104 2HZ LYS 104 9.068 2.597 9.817 834 H GLY 105 H GLY 105 9.180 6.853 6.753 835 HA2 GLY 105 2HA GLY 105 10.344 9.409 6.320 836 HA3 GLY 105 1HA GLY 105 9.962 8.215 5.083 837 H LEU 106 H LEU 106 7.297 7.940 5.241 838 HA LEU 106 HA LEU 106 6.374 10.249 3.855 839 HB2 LEU 106 2HB LEU 106 5.568 8.045 3.258 840 HB3 LEU 106 1HB LEU 106 4.884 7.825 4.868 841 HG LEU 106 HG LEU 106 3.946 10.320 3.780 842 HD11 LEU 106 1HD1 LEU 106 4.464 9.122 1.605 843 HD12 LEU 106 2HD1 LEU 106 2.774 9.578 1.816 844 HD13 LEU 106 3HD1 LEU 106 3.275 7.907 2.077 845 HD21 LEU 106 3HD2 LEU 106 1.735 9.145 4.098 846 HD22 LEU 106 1HD2 LEU 106 2.780 9.094 5.518 847 HD23 LEU 106 2HD2 LEU 106 2.632 7.675 4.481 848 H ARG 107 H ARG 107 5.701 8.914 7.073 849 HA ARG 107 HA ARG 107 3.744 10.873 7.677 850 HB2 ARG 107 2HB ARG 107 3.678 8.762 8.841 851 HB3 ARG 107 1HB ARG 107 5.283 9.036 9.494 852 HG2 ARG 107 2HG ARG 107 3.643 9.578 11.203 853 HG3 ARG 107 1HG ARG 107 4.426 11.065 10.670 854 HD2 ARG 107 2HD ARG 107 2.419 11.905 10.115 855 HD3 ARG 107 1HD ARG 107 2.227 10.611 8.936 856 HE ARG 107 HE ARG 107 0.617 9.777 10.357 857 HH11 ARG 107 1HH2 ARG 107 3.083 11.395 12.168 858 HH12 ARG 107 2HH2 ARG 107 2.374 11.043 13.709 859 HH21 ARG 107 1HH1 ARG 107 -0.318 9.316 12.372 860 HH22 ARG 107 2HH1 ARG 107 0.448 9.867 13.825 861 H GLU 108 H GLU 108 7.193 10.793 8.059 862 HA GLU 108 HA GLU 108 7.438 12.880 9.977 863 HB2 GLU 108 2HB GLU 108 9.279 11.295 9.380 864 HB3 GLU 108 1HB GLU 108 9.419 12.105 7.819 865 HG2 GLU 108 2HG GLU 108 9.418 14.110 9.859 866 HG3 GLU 108 1HG GLU 108 10.585 12.869 10.313 867 H VAL 109 H VAL 109 7.784 12.802 6.480 868 HA VAL 109 HA VAL 109 8.055 15.548 5.978 869 HB VAL 109 HB VAL 109 7.040 14.804 3.698 870 HG11 VAL 109 1HG1 VAL 109 9.407 14.869 3.785 871 HG12 VAL 109 2HG1 VAL 109 9.077 13.168 3.411 872 HG13 VAL 109 3HG1 VAL 109 9.466 13.649 5.058 873 HG21 VAL 109 3HG2 VAL 109 7.145 12.251 3.542 874 HG22 VAL 109 1HG2 VAL 109 5.718 12.997 4.248 875 HG23 VAL 109 2HG2 VAL 109 6.931 12.272 5.285 876 H LEU 110 H LEU 110 5.219 13.439 5.970 877 HA LEU 110 HA LEU 110 3.237 15.375 5.565 878 HB2 LEU 110 2HB LEU 110 3.437 12.627 6.432 879 HB3 LEU 110 1HB LEU 110 2.185 13.439 7.296 880 HG LEU 110 HG LEU 110 1.191 14.184 5.162 881 HD11 LEU 110 1HD1 LEU 110 3.067 14.386 3.727 882 HD12 LEU 110 2HD1 LEU 110 2.140 13.039 3.077 883 HD13 LEU 110 3HD1 LEU 110 3.583 12.733 4.041 884 HD21 LEU 110 3HD2 LEU 110 0.447 11.986 4.393 885 HD22 LEU 110 1HD2 LEU 110 0.559 11.992 6.152 886 HD23 LEU 110 2HD2 LEU 110 1.817 11.220 5.193 887 H ARG 111 H ARG 111 5.042 14.390 8.409 888 HA ARG 111 HA ARG 111 3.551 15.657 10.409 889 HB2 ARG 111 2HB ARG 111 5.809 14.222 10.457 890 HB3 ARG 111 1HB ARG 111 6.523 15.832 10.547 891 HG2 ARG 111 2HG ARG 111 5.125 16.369 12.487 892 HG3 ARG 111 1HG ARG 111 4.339 14.793 12.377 893 HD2 ARG 111 2HD ARG 111 5.960 14.349 13.978 894 HD3 ARG 111 1HD ARG 111 6.818 13.892 12.508 895 HE ARG 111 HE ARG 111 7.323 16.606 12.940 896 HH11 ARG 111 1HH2 ARG 111 7.833 13.558 14.504 897 HH12 ARG 111 2HH2 ARG 111 9.300 14.048 15.284 898 HH21 ARG 111 1HH1 ARG 111 9.244 17.253 13.958 899 HH22 ARG 111 2HH1 ARG 111 10.099 16.142 14.974 900 H LEU 112 H LEU 112 5.695 16.870 7.939 901 HA LEU 112 HA LEU 112 6.083 19.497 8.941 902 HB2 LEU 112 2HB LEU 112 7.075 18.232 6.802 903 HB3 LEU 112 1HB LEU 112 5.729 19.047 6.004 904 HG LEU 112 HG LEU 112 6.688 21.103 7.473 905 HD11 LEU 112 1HD1 LEU 112 9.226 19.764 6.582 906 HD12 LEU 112 2HD1 LEU 112 8.554 19.384 8.168 907 HD13 LEU 112 3HD1 LEU 112 9.002 21.044 7.775 908 HD21 LEU 112 3HD2 LEU 112 6.301 21.269 5.105 909 HD22 LEU 112 1HD2 LEU 112 7.588 20.116 4.753 910 HD23 LEU 112 2HD2 LEU 112 7.985 21.718 5.373 911 H TYR 113 H TYR 113 3.558 17.822 7.244 912 HA TYR 113 HA TYR 113 1.792 20.193 7.536 913 HB2 TYR 113 2HB TYR 113 2.418 18.999 5.145 914 HB3 TYR 113 1HB TYR 113 0.939 18.148 5.597 915 HD1 TYR 113 1HD TYR 113 -0.382 20.331 7.208 916 HD2 TYR 113 2HD TYR 113 1.613 20.430 3.403 917 HE1 TYR 113 1HE TYR 113 -1.717 22.318 6.559 918 HE2 TYR 113 2HE TYR 113 0.275 22.415 2.755 919 HH TYR 113 HH TYR 113 -2.476 23.385 4.368 920 HA PRO 114 HA PRO 114 0.468 16.893 10.467 921 HB2 PRO 114 2HB PRO 114 -0.729 19.250 11.794 922 HB3 PRO 114 1HB PRO 114 0.340 17.998 12.451 923 HG2 PRO 114 2HG PRO 114 1.193 20.486 11.969 924 HG3 PRO 114 1HG PRO 114 2.240 19.071 11.768 925 HD2 PRO 114 2HD PRO 114 0.876 20.719 9.671 926 HD3 PRO 114 1HD PRO 114 2.469 19.928 9.631 927 H GLU 115 H GLU 115 -1.587 19.540 9.186 928 HA GLU 115 HA GLU 115 -4.034 18.271 9.920 929 HB2 GLU 115 2HB GLU 115 -3.306 20.514 8.056 930 HB3 GLU 115 1HB GLU 115 -4.954 19.889 8.111 931 HG2 GLU 115 2HG GLU 115 -5.361 20.799 10.152 932 HG3 GLU 115 1HG GLU 115 -3.762 20.378 10.760 933 H TYR 116 H TYR 116 -2.370 18.604 6.799 934 HA TYR 116 HA TYR 116 -4.158 16.890 5.396 935 HB2 TYR 116 2HB TYR 116 -1.404 17.973 4.837 936 HB3 TYR 116 1HB TYR 116 -2.181 16.833 3.745 937 HD1 TYR 116 1HD TYR 116 -4.845 17.468 3.394 938 HD2 TYR 116 2HD TYR 116 -1.648 20.205 4.255 939 HE1 TYR 116 1HE TYR 116 -6.173 19.325 2.426 940 HE2 TYR 116 2HE TYR 116 -2.977 22.061 3.285 941 HH TYR 116 HH TYR 116 -5.416 22.563 2.891 942 H ALA 117 H ALA 117 -1.202 16.454 7.193 943 HA ALA 117 HA ALA 117 -0.528 13.861 6.370 944 HB1 ALA 117 1HB ALA 117 1.104 15.080 7.501 945 HB2 ALA 117 2HB ALA 117 0.618 13.845 8.671 946 HB3 ALA 117 3HB ALA 117 0.015 15.494 8.823 947 H GLN 118 H GLN 118 -2.097 14.810 9.439 948 HA GLN 118 HA GLN 118 -2.692 12.245 10.306 949 HB2 GLN 118 2HB GLN 118 -4.245 14.823 10.651 950 HB3 GLN 118 1HB GLN 118 -4.596 13.344 11.528 951 HG2 GLN 118 2HG GLN 118 -2.044 14.950 11.630 952 HG3 GLN 118 1HG GLN 118 -3.200 14.691 12.931 953 HE21 GLN 118 1HE2 GLN 118 -0.713 13.074 10.963 954 HE22 GLN 118 2HE2 GLN 118 -0.495 11.764 12.019 955 H LYS 119 H LYS 119 -4.135 14.240 7.886 956 HA LYS 119 HA LYS 119 -6.516 12.694 7.506 957 HB2 LYS 119 2HB LYS 119 -5.771 15.171 6.743 958 HB3 LYS 119 1HB LYS 119 -5.438 14.286 5.254 959 HG2 LYS 119 2HG LYS 119 -7.696 14.912 5.014 960 HG3 LYS 119 1HG LYS 119 -7.797 13.252 5.601 961 HD2 LYS 119 2HD LYS 119 -9.221 14.188 7.130 962 HD3 LYS 119 1HD LYS 119 -7.713 14.560 7.966 963 HE2 LYS 119 2HE LYS 119 -8.648 16.671 7.921 964 HE3 LYS 119 1HE LYS 119 -7.787 16.704 6.382 965 HZ1 LYS 119 3HZ LYS 119 -9.961 17.415 5.924 966 HZ2 LYS 119 1HZ LYS 119 -10.663 16.182 6.853 967 HZ3 LYS 119 2HZ LYS 119 -9.899 15.806 5.382 968 H PHE 120 H PHE 120 -3.200 12.443 6.349 969 HA PHE 120 HA PHE 120 -3.675 11.005 3.982 970 HB2 PHE 120 2HB PHE 120 -1.475 11.148 3.826 971 HB3 PHE 120 1HB PHE 120 -1.472 11.915 5.406 972 HD1 PHE 120 1HD PHE 120 -1.056 8.674 3.610 973 HD2 PHE 120 2HD PHE 120 -0.713 10.723 7.376 974 HE1 PHE 120 1HE PHE 120 0.283 6.821 4.503 975 HE2 PHE 120 2HE PHE 120 0.601 8.838 8.279 976 HZ PHE 120 HZ PHE 120 1.106 6.886 6.848 977 H VAL 121 H VAL 121 -3.003 9.731 7.255 978 HA VAL 121 HA VAL 121 -2.977 7.054 6.618 979 HB VAL 121 HB VAL 121 -4.135 8.359 9.097 980 HG11 VAL 121 1HG1 VAL 121 -3.974 5.638 8.224 981 HG12 VAL 121 2HG1 VAL 121 -4.612 6.262 9.744 982 HG13 VAL 121 3HG1 VAL 121 -2.902 5.854 9.602 983 HG21 VAL 121 3HG2 VAL 121 -1.341 7.355 8.459 984 HG22 VAL 121 1HG2 VAL 121 -1.872 7.957 10.029 985 HG23 VAL 121 2HG2 VAL 121 -1.811 9.045 8.642 986 H SER 122 H SER 122 -5.706 9.238 7.065 987 HA SER 122 HA SER 122 -7.657 7.094 6.823 988 HB2 SER 122 2HB SER 122 -8.848 8.574 8.012 989 HB3 SER 122 1HB SER 122 -7.651 9.836 7.730 990 HG SER 122 HG SER 122 -9.319 10.615 6.641 991 H GLU 123 H GLU 123 -6.172 9.544 4.813 992 HA GLU 123 HA GLU 123 -8.087 9.338 2.674 993 HB2 GLU 123 2HB GLU 123 -5.745 10.923 3.287 994 HB3 GLU 123 1HB GLU 123 -5.683 10.336 1.626 995 HG2 GLU 123 2HG GLU 123 -6.881 12.401 1.545 996 HG3 GLU 123 1HG GLU 123 -8.093 11.129 1.391 997 H ILE 124 H ILE 124 -5.177 7.667 3.596 998 HA ILE 124 HA ILE 124 -4.359 6.588 1.160 999 HB ILE 124 HB ILE 124 -3.484 6.391 3.701 1000 HG12 ILE 124 2HG1 ILE 124 -2.967 4.798 1.217 1001 HG13 ILE 124 1HG1 ILE 124 -1.941 5.984 2.023 1002 HG21 ILE 124 1HG2 ILE 124 -3.728 4.128 4.522 1003 HG22 ILE 124 2HG2 ILE 124 -4.627 3.649 3.085 1004 HG23 ILE 124 3HG2 ILE 124 -5.337 4.776 4.239 1005 HD11 ILE 124 3HD1 ILE 124 -2.037 4.157 3.979 1006 HD12 ILE 124 1HD1 ILE 124 -0.845 4.068 2.684 1007 HD13 ILE 124 2HD1 ILE 124 -2.304 3.081 2.609 1008 H GLN 125 H GLN 125 -6.854 5.473 3.433 1009 HA GLN 125 HA GLN 125 -7.455 2.983 2.459 1010 HB2 GLN 125 2HB GLN 125 -9.246 5.144 3.560 1011 HB3 GLN 125 1HB GLN 125 -9.860 3.554 3.109 1012 HG2 GLN 125 2HG GLN 125 -9.342 3.421 5.424 1013 HG3 GLN 125 1HG GLN 125 -8.085 2.553 4.554 1014 HE21 GLN 125 1HE2 GLN 125 -8.099 6.060 4.454 1015 HE22 GLN 125 2HE2 GLN 125 -6.759 6.280 5.473 1016 H HIS 126 H HIS 126 -8.199 6.085 1.001 1017 HA HIS 126 HA HIS 126 -10.161 5.288 -0.821 1018 HB2 HIS 126 2HB HIS 126 -9.811 7.595 -0.661 1019 HB3 HIS 126 1HB HIS 126 -8.076 7.424 -0.888 1020 HD1 HIS 126 1HD HIS 126 -11.166 6.451 -2.913 1021 HD2 HIS 126 2HD HIS 126 -7.389 8.128 -3.461 1022 HE1 HIS 126 1HE HIS 126 -10.956 6.953 -5.386 1023 HE2 HIS 126 2HE HIS 126 -8.659 7.977 -5.737 1024 H ASP 127 H ASP 127 -6.887 4.396 -0.621 1025 HA ASP 127 HA ASP 127 -6.976 3.348 -3.389 1026 HB2 ASP 127 2HB ASP 127 -4.697 4.476 -1.783 1027 HB3 ASP 127 1HB ASP 127 -4.409 3.389 -3.140 1028 H LEU 128 H LEU 128 -6.200 2.740 -0.026 1029 HA LEU 128 HA LEU 128 -4.828 0.423 0.036 1030 HB2 LEU 128 2HB LEU 128 -5.833 1.565 2.016 1031 HB3 LEU 128 1HB LEU 128 -7.383 0.832 1.601 1032 HG LEU 128 HG LEU 128 -5.405 -1.231 1.564 1033 HD11 LEU 128 1HD1 LEU 128 -3.962 0.005 2.998 1034 HD12 LEU 128 2HD1 LEU 128 -4.849 -1.081 4.067 1035 HD13 LEU 128 3HD1 LEU 128 -5.310 0.618 3.954 1036 HD21 LEU 128 3HD2 LEU 128 -6.841 -2.157 3.359 1037 HD22 LEU 128 1HD2 LEU 128 -7.808 -1.519 2.029 1038 HD23 LEU 128 2HD2 LEU 128 -7.638 -0.591 3.520 1039 H THR 129 H THR 129 -4.927 -1.350 -1.153 1040 HA THR 129 HA THR 129 -7.561 -2.318 -2.066 1041 HB THR 129 HB THR 129 -4.784 -2.550 -3.164 1042 HG1 THR 129 1HG THR 129 -6.584 -1.023 -3.771 1043 HG21 THR 129 3HG2 THR 129 -7.040 -4.515 -3.450 1044 HG22 THR 129 1HG2 THR 129 -5.317 -4.827 -3.231 1045 HG23 THR 129 2HG2 THR 129 -5.920 -4.250 -4.786 1046 H TYR 130 H TYR 130 -4.495 -3.375 -0.599 1047 HA TYR 130 HA TYR 130 -5.954 -5.669 0.548 1048 HB2 TYR 130 2HB TYR 130 -4.394 -6.197 -1.474 1049 HB3 TYR 130 1HB TYR 130 -3.091 -5.947 -0.313 1050 HD1 TYR 130 2HD TYR 130 -6.181 -7.912 -0.977 1051 HD2 TYR 130 1HD TYR 130 -2.593 -7.568 1.360 1052 HE1 TYR 130 2HE TYR 130 -6.567 -10.180 -0.053 1053 HE2 TYR 130 1HE TYR 130 -2.978 -9.837 2.285 1054 HH TYR 130 HH TYR 130 -4.574 -12.050 1.118 1055 H ASN 131 H ASN 131 -5.833 -5.637 2.684 1056 HA ASN 131 HA ASN 131 -3.883 -3.923 4.006 1057 HB2 ASN 131 2HB ASN 131 -5.187 -4.350 6.018 1058 HB3 ASN 131 1HB ASN 131 -6.267 -3.914 4.696 1059 HD21 ASN 131 1HD2 ASN 131 -5.180 -6.612 6.729 1060 HD22 ASN 131 2HD2 ASN 131 -6.424 -7.674 6.277 1061 H LEU 132 H LEU 132 -1.893 -4.881 4.064 1062 HA LEU 132 HA LEU 132 -1.477 -7.674 4.481 1063 HB2 LEU 132 2HB LEU 132 0.132 -5.858 3.498 1064 HB3 LEU 132 1HB LEU 132 0.561 -5.580 5.184 1065 HG LEU 132 HG LEU 132 0.883 -8.142 5.328 1066 HD11 LEU 132 1HD1 LEU 132 0.496 -7.691 2.402 1067 HD12 LEU 132 2HD1 LEU 132 0.072 -9.090 3.388 1068 HD13 LEU 132 3HD1 LEU 132 1.746 -8.837 2.891 1069 HD21 LEU 132 3HD2 LEU 132 2.598 -6.030 4.224 1070 HD22 LEU 132 1HD2 LEU 132 3.110 -7.654 3.766 1071 HD23 LEU 132 2HD2 LEU 132 2.953 -7.225 5.470 1072 H ARG 133 H ARG 133 -1.940 -8.702 6.328 1073 HA ARG 133 HA ARG 133 -1.793 -7.190 8.851 1074 HB2 ARG 133 2HB ARG 133 -3.687 -9.020 7.813 1075 HB3 ARG 133 1HB ARG 133 -2.896 -9.832 9.164 1076 HG2 ARG 133 2HG ARG 133 -3.252 -7.596 10.438 1077 HG3 ARG 133 1HG ARG 133 -4.422 -7.234 9.168 1078 HD2 ARG 133 2HD ARG 133 -5.392 -8.353 11.221 1079 HD3 ARG 133 1HD ARG 133 -5.730 -9.164 9.696 1080 HE ARG 133 HE ARG 133 -4.366 -10.938 10.380 1081 HH11 ARG 133 1HH2 ARG 133 -4.073 -8.194 12.470 1082 HH12 ARG 133 2HH2 ARG 133 -3.189 -9.046 13.692 1083 HH21 ARG 133 1HH1 ARG 133 -3.206 -12.060 11.977 1084 HH22 ARG 133 2HH1 ARG 133 -2.698 -11.235 13.412 1085 H GLU 134 H GLU 134 -0.769 -8.112 10.691 1086 HA GLU 134 HA GLU 134 1.530 -9.785 9.999 1087 HB2 GLU 134 2HB GLU 134 2.448 -9.108 12.128 1088 HB3 GLU 134 1HB GLU 134 1.817 -7.672 11.320 1089 HG2 GLU 134 2HG GLU 134 0.808 -7.345 13.353 1090 HG3 GLU 134 1HG GLU 134 -0.399 -8.425 12.656 1091 H GLY 135 H GLY 135 2.059 -11.690 11.130 1092 HA2 GLY 135 2HA GLY 135 1.536 -13.302 12.891 1093 HA3 GLY 135 1HA GLY 135 -0.164 -12.906 12.658 Start of MODEL 10 1 H1 MET 1 H MET 1 -0.628 3.981 -18.879 2 HA MET 1 HA MET 1 0.527 6.116 -17.990 3 HB2 MET 1 2HB MET 1 -2.093 7.411 -18.595 4 HB3 MET 1 1HB MET 1 -0.497 8.137 -18.407 5 HG2 MET 1 2HG MET 1 0.201 7.177 -20.570 6 HG3 MET 1 1HG MET 1 -1.393 6.447 -20.761 7 HE1 MET 1 3HE MET 1 -0.004 10.636 -21.607 8 HE2 MET 1 1HE MET 1 0.875 9.110 -21.442 9 HE3 MET 1 2HE MET 1 0.345 9.984 -20.008 10 H ASN 2 H ASN 2 -1.525 3.786 -17.502 11 HA ASN 2 HA ASN 2 -3.083 3.189 -15.868 12 HB2 ASN 2 2HB ASN 2 -2.028 3.395 -13.604 13 HB3 ASN 2 1HB ASN 2 -0.972 2.683 -14.822 14 HD21 ASN 2 1HD2 ASN 2 -1.811 6.098 -13.989 15 HD22 ASN 2 2HD2 ASN 2 -0.197 6.607 -13.849 16 H LYS 3 H LYS 3 -3.427 4.304 -13.287 17 HA LYS 3 HA LYS 3 -5.266 6.444 -13.944 18 HB2 LYS 3 2HB LYS 3 -4.623 4.906 -11.435 19 HB3 LYS 3 1HB LYS 3 -5.673 6.322 -11.402 20 HG2 LYS 3 2HG LYS 3 -7.092 5.260 -13.164 21 HG3 LYS 3 1HG LYS 3 -6.087 3.815 -13.055 22 HD2 LYS 3 2HD LYS 3 -7.469 3.122 -11.410 23 HD3 LYS 3 1HD LYS 3 -6.745 4.377 -10.404 24 HE2 LYS 3 2HE LYS 3 -9.204 4.673 -12.153 25 HE3 LYS 3 1HE LYS 3 -9.169 4.643 -10.390 26 HZ1 LYS 3 3HZ LYS 3 -7.364 6.579 -11.430 27 HZ2 LYS 3 1HZ LYS 3 -8.639 6.780 -10.329 28 HZ3 LYS 3 2HZ LYS 3 -8.941 6.854 -11.999 29 H GLU 4 H GLU 4 -5.313 8.168 -11.960 30 HA GLU 4 HA GLU 4 -2.996 9.803 -12.401 31 HB2 GLU 4 2HB GLU 4 -5.225 10.223 -10.399 32 HB3 GLU 4 1HB GLU 4 -4.129 11.445 -11.047 33 HG2 GLU 4 2HG GLU 4 -5.115 10.441 -13.360 34 HG3 GLU 4 1HG GLU 4 -6.500 10.175 -12.303 35 H LEU 5 H LEU 5 -1.720 10.752 -10.608 36 HA LEU 5 HA LEU 5 -0.574 8.723 -9.002 37 HB2 LEU 5 2HB LEU 5 0.341 11.046 -9.964 38 HB3 LEU 5 1HB LEU 5 -0.116 11.587 -8.348 39 HG LEU 5 HG LEU 5 2.166 10.839 -8.236 40 HD11 LEU 5 1HD1 LEU 5 0.446 10.143 -6.482 41 HD12 LEU 5 2HD1 LEU 5 2.003 9.313 -6.473 42 HD13 LEU 5 3HD1 LEU 5 0.587 8.523 -7.166 43 HD21 LEU 5 3HD2 LEU 5 1.625 8.033 -8.962 44 HD22 LEU 5 1HD2 LEU 5 2.999 9.054 -9.385 45 HD23 LEU 5 2HD2 LEU 5 1.502 9.164 -10.310 46 H LEU 6 H LEU 6 -3.032 11.153 -8.467 47 HA LEU 6 HA LEU 6 -3.018 11.341 -5.706 48 HB2 LEU 6 2HB LEU 6 -5.286 12.030 -5.778 49 HB3 LEU 6 1HB LEU 6 -4.491 12.668 -7.225 50 HG LEU 6 HG LEU 6 -5.404 10.123 -7.982 51 HD11 LEU 6 1HD1 LEU 6 -6.907 9.879 -6.156 52 HD12 LEU 6 2HD1 LEU 6 -7.905 10.468 -7.484 53 HD13 LEU 6 3HD1 LEU 6 -7.380 11.575 -6.216 54 HD21 LEU 6 3HD2 LEU 6 -5.334 12.164 -9.370 55 HD22 LEU 6 1HD2 LEU 6 -6.654 12.852 -8.428 56 HD23 LEU 6 2HD2 LEU 6 -6.934 11.423 -9.423 57 H GLN 7 H GLN 7 -2.783 8.464 -6.913 58 HA GLN 7 HA GLN 7 -4.976 6.976 -5.961 59 HB2 GLN 7 2HB GLN 7 -3.452 5.076 -5.934 60 HB3 GLN 7 1HB GLN 7 -3.074 6.057 -7.351 61 HG2 GLN 7 2HG GLN 7 -1.438 7.256 -5.597 62 HG3 GLN 7 1HG GLN 7 -1.503 5.660 -4.847 63 HE21 GLN 7 1HE2 GLN 7 -2.052 4.808 -7.910 64 HE22 GLN 7 2HE2 GLN 7 -0.467 4.639 -8.493 65 H LEU 8 H LEU 8 -2.230 8.529 -4.531 66 HA LEU 8 HA LEU 8 -3.247 7.811 -1.840 67 HB2 LEU 8 2HB LEU 8 -0.457 8.100 -2.900 68 HB3 LEU 8 1HB LEU 8 -0.774 8.568 -1.233 69 HG LEU 8 HG LEU 8 -1.647 5.907 -2.361 70 HD11 LEU 8 1HD1 LEU 8 0.945 6.680 -1.001 71 HD12 LEU 8 2HD1 LEU 8 0.746 5.920 -2.579 72 HD13 LEU 8 3HD1 LEU 8 0.372 5.016 -1.112 73 HD21 LEU 8 3HD2 LEU 8 -2.526 5.597 -0.306 74 HD22 LEU 8 1HD2 LEU 8 -2.168 7.287 0.046 75 HD23 LEU 8 2HD2 LEU 8 -0.999 6.033 0.461 76 HA PRO 9 HA PRO 9 -4.536 12.125 -2.870 77 HB2 PRO 9 2HB PRO 9 -5.684 11.594 -0.156 78 HB3 PRO 9 1HB PRO 9 -6.416 12.399 -1.557 79 HG2 PRO 9 2HG PRO 9 -7.027 9.888 -0.954 80 HG3 PRO 9 1HG PRO 9 -6.860 10.416 -2.638 81 HD2 PRO 9 2HD PRO 9 -5.039 8.712 -1.016 82 HD3 PRO 9 1HD PRO 9 -5.281 8.747 -2.776 83 H LEU 10 H LEU 10 -2.669 10.929 -0.231 84 HA LEU 10 HA LEU 10 -2.310 13.206 1.309 85 HB2 LEU 10 2HB LEU 10 0.075 12.299 1.655 86 HB3 LEU 10 1HB LEU 10 -1.326 11.432 2.305 87 HG LEU 10 HG LEU 10 -1.084 10.452 -0.282 88 HD11 LEU 10 1HD1 LEU 10 1.176 11.731 -0.157 89 HD12 LEU 10 2HD1 LEU 10 1.173 10.062 -0.758 90 HD13 LEU 10 3HD1 LEU 10 1.669 10.398 0.901 91 HD21 LEU 10 3HD2 LEU 10 -1.624 8.953 1.409 92 HD22 LEU 10 1HD2 LEU 10 -0.330 9.514 2.471 93 HD23 LEU 10 2HD2 LEU 10 0.048 8.497 1.073 94 H PHE 11 H PHE 11 -0.354 12.198 -1.486 95 HA PHE 11 HA PHE 11 1.007 14.734 -1.263 96 HB2 PHE 11 2HB PHE 11 2.437 13.880 -3.114 97 HB3 PHE 11 1HB PHE 11 2.604 13.137 -1.544 98 HD1 PHE 11 1HD PHE 11 -0.447 12.108 -3.070 99 HD2 PHE 11 2HD PHE 11 3.772 11.381 -3.087 100 HE1 PHE 11 1HE PHE 11 -0.840 9.897 -4.112 101 HE2 PHE 11 2HE PHE 11 3.384 9.161 -4.113 102 HZ PHE 11 HZ PHE 11 1.076 8.420 -4.626 103 H GLU 12 H GLU 12 -0.411 13.033 -4.120 104 HA GLU 12 HA GLU 12 -0.259 15.154 -5.869 105 HB2 GLU 12 2HB GLU 12 -1.288 12.648 -6.025 106 HB3 GLU 12 1HB GLU 12 -2.769 13.602 -6.007 107 HG2 GLU 12 2HG GLU 12 -1.975 13.242 -8.306 108 HG3 GLU 12 1HG GLU 12 -1.972 14.945 -7.864 109 H SER 13 H SER 13 -2.154 14.921 -3.043 110 HA SER 13 HA SER 13 -3.940 17.090 -3.938 111 HB2 SER 13 2HB SER 13 -4.656 14.847 -2.663 112 HB3 SER 13 1HB SER 13 -4.260 15.836 -1.259 113 HG SER 13 HG SER 13 -5.592 17.471 -2.593 114 H ALA 14 H ALA 14 -0.987 17.008 -2.902 115 HA ALA 14 HA ALA 14 -1.295 19.147 -0.886 116 HB1 ALA 14 1HB ALA 14 1.276 17.677 -1.196 117 HB2 ALA 14 2HB ALA 14 -0.058 16.808 -0.425 118 HB3 ALA 14 3HB ALA 14 0.521 18.326 0.264 119 H SER 15 H SER 15 0.539 20.721 -0.933 120 HA SER 15 HA SER 15 0.907 21.787 -3.526 121 HB2 SER 15 2HB SER 15 1.138 23.056 -1.337 122 HB3 SER 15 1HB SER 15 2.693 22.257 -1.124 123 HG SER 15 HG SER 15 1.986 23.707 -3.455 124 H ARG 16 H ARG 16 2.609 21.514 -4.987 125 HA ARG 16 HA ARG 16 3.870 19.080 -5.119 126 HB2 ARG 16 2HB ARG 16 4.267 21.699 -6.390 127 HB3 ARG 16 1HB ARG 16 5.756 20.760 -6.269 128 HG2 ARG 16 2HG ARG 16 3.252 19.403 -7.215 129 HG3 ARG 16 1HG ARG 16 4.150 20.425 -8.338 130 HD2 ARG 16 2HD ARG 16 5.698 18.454 -6.720 131 HD3 ARG 16 1HD ARG 16 4.722 17.833 -8.048 132 HE ARG 16 HE ARG 16 6.178 19.998 -9.047 133 HH11 ARG 16 1HH2 ARG 16 6.727 16.882 -7.646 134 HH12 ARG 16 2HH2 ARG 16 8.207 16.605 -8.504 135 HH21 ARG 16 1HH1 ARG 16 8.117 19.640 -10.176 136 HH22 ARG 16 2HH1 ARG 16 8.993 18.165 -9.936 137 H GLY 17 H GLY 17 4.490 21.729 -3.065 138 HA2 GLY 17 2HA GLY 17 7.194 21.348 -2.397 139 HA3 GLY 17 1HA GLY 17 5.972 22.055 -1.340 140 H CYS 18 H CYS 18 4.204 19.826 -1.189 141 HA CYS 18 HA CYS 18 5.527 18.298 0.849 142 HB2 CYS 18 2HB CYS 18 2.838 18.702 -0.043 143 HB3 CYS 18 1HB CYS 18 3.157 16.963 -0.064 144 HG CYS 18 HG CYS 18 4.117 17.440 2.498 145 H LEU 19 H LEU 19 4.364 17.544 -2.455 146 HA LEU 19 HA LEU 19 5.180 14.883 -2.451 147 HB2 LEU 19 2HB LEU 19 3.898 15.904 -4.309 148 HB3 LEU 19 1HB LEU 19 5.356 16.765 -4.815 149 HG LEU 19 HG LEU 19 6.450 14.389 -4.805 150 HD11 LEU 19 1HD1 LEU 19 4.355 13.396 -3.710 151 HD12 LEU 19 2HD1 LEU 19 4.961 12.544 -5.130 152 HD13 LEU 19 3HD1 LEU 19 3.561 13.607 -5.272 153 HD21 LEU 19 3HD2 LEU 19 6.333 15.369 -6.909 154 HD22 LEU 19 1HD2 LEU 19 4.588 15.609 -6.815 155 HD23 LEU 19 2HD2 LEU 19 5.241 14.003 -7.139 156 H ARG 20 H ARG 20 7.034 17.825 -2.707 157 HA ARG 20 HA ARG 20 9.499 16.573 -3.478 158 HB2 ARG 20 2HB ARG 20 9.566 18.856 -3.899 159 HB3 ARG 20 1HB ARG 20 8.703 19.266 -2.424 160 HG2 ARG 20 2HG ARG 20 11.470 18.076 -2.358 161 HG3 ARG 20 1HG ARG 20 11.186 19.809 -2.490 162 HD2 ARG 20 2HD ARG 20 9.498 18.951 -0.416 163 HD3 ARG 20 1HD ARG 20 11.027 18.121 -0.147 164 HE ARG 20 HE ARG 20 11.531 20.846 -0.725 165 HH11 ARG 20 1HH2 ARG 20 10.197 18.767 1.696 166 HH12 ARG 20 2HH2 ARG 20 10.595 19.818 3.014 167 HH21 ARG 20 1HH1 ARG 20 12.053 22.230 0.996 168 HH22 ARG 20 2HH1 ARG 20 11.645 21.779 2.617 169 H SER 21 H SER 21 7.813 17.328 -0.523 170 HA SER 21 HA SER 21 9.824 16.729 1.395 171 HB2 SER 21 2HB SER 21 8.071 16.870 2.935 172 HB3 SER 21 1HB SER 21 7.539 17.902 1.623 173 HG SER 21 HG SER 21 5.986 16.290 2.434 174 H LEU 22 H LEU 22 7.168 14.755 0.085 175 HA LEU 22 HA LEU 22 7.961 12.344 1.316 176 HB2 LEU 22 2HB LEU 22 6.045 13.194 -0.678 177 HB3 LEU 22 1HB LEU 22 6.821 11.685 -1.163 178 HG LEU 22 HG LEU 22 6.322 10.733 1.068 179 HD11 LEU 22 1HD1 LEU 22 5.356 11.925 2.738 180 HD12 LEU 22 2HD1 LEU 22 4.376 12.892 1.642 181 HD13 LEU 22 3HD1 LEU 22 6.073 13.300 1.901 182 HD21 LEU 22 3HD2 LEU 22 3.685 11.124 0.706 183 HD22 LEU 22 1HD2 LEU 22 4.645 10.041 -0.304 184 HD23 LEU 22 2HD2 LEU 22 4.287 11.684 -0.851 185 H SER 23 H SER 23 8.609 13.683 -1.915 186 HA SER 23 HA SER 23 10.145 11.592 -2.852 187 HB2 SER 23 2HB SER 23 9.786 12.867 -4.616 188 HB3 SER 23 1HB SER 23 9.702 14.349 -3.654 189 HG SER 23 HG SER 23 12.175 13.065 -3.903 190 H LEU 24 H LEU 24 10.998 14.148 -0.670 191 HA LEU 24 HA LEU 24 13.800 13.941 -0.838 192 HB2 LEU 24 2HB LEU 24 11.871 15.141 0.939 193 HB3 LEU 24 1HB LEU 24 13.168 14.375 1.855 194 HG LEU 24 HG LEU 24 13.631 16.756 1.196 195 HD11 LEU 24 1HD1 LEU 24 15.328 14.695 1.447 196 HD12 LEU 24 2HD1 LEU 24 15.881 16.315 1.023 197 HD13 LEU 24 3HD1 LEU 24 15.648 15.104 -0.238 198 HD21 LEU 24 3HD2 LEU 24 12.738 15.829 -1.312 199 HD22 LEU 24 1HD2 LEU 24 14.463 16.141 -1.502 200 HD23 LEU 24 2HD2 LEU 24 13.391 17.424 -0.942 201 H ILE 25 H ILE 25 11.328 12.029 0.777 202 HA ILE 25 HA ILE 25 13.442 10.121 1.602 203 HB ILE 25 HB ILE 25 12.047 11.257 3.448 204 HG12 ILE 25 2HG1 ILE 25 11.612 8.539 4.097 205 HG13 ILE 25 1HG1 ILE 25 12.990 8.554 3.038 206 HG21 ILE 25 1HG2 ILE 25 10.103 9.099 3.052 207 HG22 ILE 25 2HG2 ILE 25 9.949 10.420 1.884 208 HG23 ILE 25 3HG2 ILE 25 9.824 10.746 3.618 209 HD11 ILE 25 3HD1 ILE 25 13.980 8.885 5.141 210 HD12 ILE 25 1HD1 ILE 25 12.634 9.876 5.712 211 HD13 ILE 25 2HD1 ILE 25 13.800 10.540 4.560 212 H ILE 26 H ILE 26 11.808 10.286 -0.968 213 HA ILE 26 HA ILE 26 9.906 8.261 -1.026 214 HB ILE 26 HB ILE 26 11.359 9.939 -2.887 215 HG12 ILE 26 2HG1 ILE 26 8.871 9.939 -2.273 216 HG13 ILE 26 1HG1 ILE 26 9.256 10.044 -3.994 217 HG21 ILE 26 1HG2 ILE 26 10.760 7.142 -3.691 218 HG22 ILE 26 2HG2 ILE 26 12.309 7.958 -3.795 219 HG23 ILE 26 3HG2 ILE 26 10.980 8.433 -4.858 220 HD11 ILE 26 3HD1 ILE 26 7.588 8.185 -2.830 221 HD12 ILE 26 1HD1 ILE 26 9.097 7.308 -3.071 222 HD13 ILE 26 2HD1 ILE 26 8.304 8.090 -4.440 223 H LYS 27 H LYS 27 9.985 6.096 -1.355 224 HA LYS 27 HA LYS 27 12.678 4.890 -1.667 225 HB2 LYS 27 2HB LYS 27 10.398 3.543 -0.218 226 HB3 LYS 27 1HB LYS 27 12.102 3.101 -0.221 227 HG2 LYS 27 2HG LYS 27 11.042 5.710 0.897 228 HG3 LYS 27 1HG LYS 27 11.378 4.281 1.877 229 HD2 LYS 27 2HD LYS 27 13.710 4.490 0.488 230 HD3 LYS 27 1HD LYS 27 13.259 6.190 0.620 231 HE2 LYS 27 2HE LYS 27 12.947 5.869 3.080 232 HE3 LYS 27 1HE LYS 27 13.538 4.217 2.906 233 HZ1 LYS 27 3HZ LYS 27 15.627 5.019 2.129 234 HZ2 LYS 27 1HZ LYS 27 15.266 5.839 3.570 235 HZ3 LYS 27 2HZ LYS 27 15.065 6.622 2.075 236 H THR 28 H THR 28 12.854 3.200 -3.146 237 HA THR 28 HA THR 28 10.406 2.666 -4.719 238 HB THR 28 HB THR 28 11.468 3.177 -6.634 239 HG1 THR 28 1HG THR 28 13.835 2.041 -5.566 240 HG21 THR 28 3HG2 THR 28 13.638 4.209 -4.787 241 HG22 THR 28 1HG2 THR 28 12.127 5.054 -5.121 242 HG23 THR 28 2HG2 THR 28 13.289 4.778 -6.419 243 H SER 29 H SER 29 9.846 0.620 -5.023 244 HA SER 29 HA SER 29 11.820 -1.511 -4.461 245 HB2 SER 29 2HB SER 29 9.623 -2.795 -3.761 246 HB3 SER 29 1HB SER 29 10.431 -1.738 -2.605 247 HG SER 29 HG SER 29 8.744 -0.347 -4.193 248 H PHE 30 H PHE 30 11.885 -3.165 -5.958 249 HA PHE 30 HA PHE 30 9.827 -3.109 -8.085 250 HB2 PHE 30 2HB PHE 30 11.541 -3.446 -9.764 251 HB3 PHE 30 1HB PHE 30 11.929 -2.004 -8.827 252 HD1 PHE 30 2HD PHE 30 12.682 -5.640 -9.169 253 HD2 PHE 30 1HD PHE 30 13.942 -1.853 -7.586 254 HE1 PHE 30 2HE PHE 30 14.871 -6.627 -8.551 255 HE2 PHE 30 1HE PHE 30 16.132 -2.840 -6.966 256 HZ PHE 30 HZ PHE 30 16.597 -5.228 -7.450 257 H CYS 31 H CYS 31 9.466 -5.077 -9.201 258 HA CYS 31 HA CYS 31 10.679 -7.501 -8.076 259 HB2 CYS 31 2HB CYS 31 7.687 -7.303 -8.352 260 HB3 CYS 31 1HB CYS 31 8.636 -8.536 -7.513 261 HG CYS 31 HG CYS 31 8.269 -5.609 -6.462 262 H ALA 32 H ALA 32 10.493 -9.332 -9.422 263 HA ALA 32 HA ALA 32 9.757 -8.713 -12.215 264 HB1 ALA 32 1HB ALA 32 11.924 -9.225 -12.578 265 HB2 ALA 32 2HB ALA 32 11.454 -10.897 -12.279 266 HB3 ALA 32 3HB ALA 32 12.112 -9.919 -10.970 267 HA PRO 33 HA PRO 33 6.980 -12.150 -12.381 268 HB2 PRO 33 2HB PRO 33 8.551 -13.545 -14.471 269 HB3 PRO 33 1HB PRO 33 6.893 -12.920 -14.540 270 HG2 PRO 33 2HG PRO 33 8.927 -11.750 -15.841 271 HG3 PRO 33 1HG PRO 33 7.563 -10.833 -15.179 272 HD2 PRO 33 2HD PRO 33 10.354 -11.080 -14.136 273 HD3 PRO 33 1HD PRO 33 9.242 -9.695 -14.071 274 H GLY 34 H GLY 34 6.868 -13.760 -10.895 275 HA2 GLY 34 2HA GLY 34 7.415 -15.656 -9.690 276 HA3 GLY 34 1HA GLY 34 8.694 -15.965 -10.862 277 H GLU 35 H GLU 35 9.016 -12.834 -9.803 278 HA GLU 35 HA GLU 35 11.380 -13.459 -8.278 279 HB2 GLU 35 2HB GLU 35 10.746 -11.379 -9.840 280 HB3 GLU 35 1HB GLU 35 10.337 -10.716 -8.262 281 HG2 GLU 35 2HG GLU 35 12.576 -10.174 -8.341 282 HG3 GLU 35 1HG GLU 35 12.654 -11.763 -7.592 283 H PHE 36 H PHE 36 11.592 -13.645 -6.144 284 HA PHE 36 HA PHE 36 9.251 -13.371 -4.457 285 HB2 PHE 36 2HB PHE 36 12.071 -14.180 -3.736 286 HB3 PHE 36 1HB PHE 36 10.639 -14.370 -2.725 287 HD1 PHE 36 1HD PHE 36 8.718 -15.809 -3.592 288 HD2 PHE 36 2HD PHE 36 12.624 -15.795 -5.377 289 HE1 PHE 36 1HE PHE 36 8.220 -17.975 -4.695 290 HE2 PHE 36 2HE PHE 36 12.128 -17.960 -6.480 291 HZ PHE 36 HZ PHE 36 9.927 -19.050 -6.138 292 H LEU 37 H LEU 37 8.713 -11.530 -3.471 293 HA LEU 37 HA LEU 37 10.746 -9.462 -3.092 294 HB2 LEU 37 2HB LEU 37 8.287 -9.135 -4.006 295 HB3 LEU 37 1HB LEU 37 7.913 -9.058 -2.285 296 HG LEU 37 HG LEU 37 9.637 -7.301 -1.995 297 HD11 LEU 37 1HD1 LEU 37 10.172 -6.240 -4.412 298 HD12 LEU 37 2HD1 LEU 37 10.078 -7.941 -4.867 299 HD13 LEU 37 3HD1 LEU 37 11.232 -7.416 -3.640 300 HD21 LEU 37 3HD2 LEU 37 8.377 -5.633 -3.680 301 HD22 LEU 37 1HD2 LEU 37 7.598 -6.255 -2.225 302 HD23 LEU 37 2HD2 LEU 37 7.272 -7.005 -3.788 303 H ILE 38 H ILE 38 8.527 -11.497 -1.114 304 HA ILE 38 HA ILE 38 10.201 -10.734 1.135 305 HB ILE 38 HB ILE 38 8.508 -10.230 2.591 306 HG12 ILE 38 2HG1 ILE 38 6.042 -10.634 1.820 307 HG13 ILE 38 1HG1 ILE 38 6.785 -11.868 0.809 308 HG21 ILE 38 1HG2 ILE 38 8.650 -8.405 1.128 309 HG22 ILE 38 2HG2 ILE 38 6.927 -8.689 1.381 310 HG23 ILE 38 3HG2 ILE 38 7.702 -9.221 -0.112 311 HD11 ILE 38 3HD1 ILE 38 7.527 -11.695 3.697 312 HD12 ILE 38 1HD1 ILE 38 7.560 -13.061 2.601 313 HD13 ILE 38 2HD1 ILE 38 6.025 -12.468 3.222 314 H ARG 39 H ARG 39 10.151 -12.185 2.893 315 HA ARG 39 HA ARG 39 9.344 -14.917 2.113 316 HB2 ARG 39 2HB ARG 39 11.741 -14.682 1.759 317 HB3 ARG 39 1HB ARG 39 11.917 -14.042 3.375 318 HG2 ARG 39 2HG ARG 39 12.556 -16.343 3.482 319 HG3 ARG 39 1HG ARG 39 10.982 -16.195 4.258 320 HD2 ARG 39 2HD ARG 39 10.086 -17.626 2.775 321 HD3 ARG 39 1HD ARG 39 10.590 -16.575 1.452 322 HE ARG 39 HE ARG 39 12.217 -18.146 0.999 323 HH11 ARG 39 1HH2 ARG 39 11.403 -18.201 4.361 324 HH12 ARG 39 2HH2 ARG 39 12.496 -19.488 4.746 325 HH21 ARG 39 1HH1 ARG 39 13.651 -19.836 1.496 326 HH22 ARG 39 2HH1 ARG 39 13.769 -20.414 3.125 327 H GLN 40 H GLN 40 7.849 -15.525 3.463 328 HA GLN 40 HA GLN 40 6.593 -14.835 5.535 329 HB2 GLN 40 2HB GLN 40 6.394 -17.130 5.133 330 HB3 GLN 40 1HB GLN 40 8.112 -17.419 5.396 331 HG2 GLN 40 2HG GLN 40 7.906 -17.078 7.757 332 HG3 GLN 40 1HG GLN 40 6.271 -16.442 7.586 333 HE21 GLN 40 1HE2 GLN 40 4.820 -18.200 6.227 334 HE22 GLN 40 2HE2 GLN 40 4.924 -19.775 6.851 335 H GLY 41 H GLY 41 6.814 -13.765 7.377 336 HA2 GLY 41 2HA GLY 41 7.687 -13.321 9.512 337 HA3 GLY 41 1HA GLY 41 9.143 -14.201 9.075 338 H ASP 42 H ASP 42 8.352 -12.093 6.583 339 HA ASP 42 HA ASP 42 10.631 -10.452 7.086 340 HB2 ASP 42 2HB ASP 42 8.382 -10.286 5.093 341 HB3 ASP 42 1HB ASP 42 9.636 -9.053 5.188 342 H ALA 43 H ALA 43 10.378 -7.980 6.967 343 HA ALA 43 HA ALA 43 8.382 -7.193 8.998 344 HB1 ALA 43 1HB ALA 43 11.196 -6.342 8.448 345 HB2 ALA 43 2HB ALA 43 10.452 -6.797 9.980 346 HB3 ALA 43 3HB ALA 43 10.092 -5.229 9.255 347 H LEU 44 H LEU 44 6.692 -6.345 7.923 348 HA LEU 44 HA LEU 44 7.169 -4.521 5.669 349 HB2 LEU 44 2HB LEU 44 5.535 -6.257 5.274 350 HB3 LEU 44 1HB LEU 44 4.632 -5.779 6.715 351 HG LEU 44 HG LEU 44 4.055 -3.658 5.740 352 HD11 LEU 44 1HD1 LEU 44 6.160 -4.444 3.734 353 HD12 LEU 44 2HD1 LEU 44 6.020 -2.939 4.648 354 HD13 LEU 44 3HD1 LEU 44 4.916 -3.265 3.310 355 HD21 LEU 44 3HD2 LEU 44 3.080 -4.443 3.495 356 HD22 LEU 44 1HD2 LEU 44 2.601 -5.352 4.928 357 HD23 LEU 44 2HD2 LEU 44 3.839 -5.995 3.848 358 H GLN 45 H GLN 45 7.468 -2.449 6.239 359 HA GLN 45 HA GLN 45 5.704 -1.330 8.336 360 HB2 GLN 45 2HB GLN 45 8.392 -0.133 7.837 361 HB3 GLN 45 1HB GLN 45 7.446 -0.192 9.325 362 HG2 GLN 45 2HG GLN 45 7.898 -2.605 9.525 363 HG3 GLN 45 1HG GLN 45 8.835 -2.557 8.034 364 HE21 GLN 45 1HE2 GLN 45 8.790 -1.352 11.402 365 HE22 GLN 45 2HE2 GLN 45 10.456 -1.033 11.472 366 H ALA 46 H ALA 46 7.570 -0.699 5.397 367 HA ALA 46 HA ALA 46 6.555 1.943 4.997 368 HB1 ALA 46 1HB ALA 46 7.389 0.853 2.527 369 HB2 ALA 46 2HB ALA 46 8.448 0.164 3.755 370 HB3 ALA 46 3HB ALA 46 8.305 1.914 3.595 371 H ILE 47 H ILE 47 5.043 2.652 3.431 372 HA ILE 47 HA ILE 47 2.860 0.774 2.970 373 HB ILE 47 HB ILE 47 2.358 3.080 3.718 374 HG12 ILE 47 2HG1 ILE 47 0.613 3.537 2.069 375 HG13 ILE 47 1HG1 ILE 47 1.450 2.551 0.870 376 HG21 ILE 47 1HG2 ILE 47 2.856 4.340 1.134 377 HG22 ILE 47 2HG2 ILE 47 4.346 3.771 1.884 378 HG23 ILE 47 3HG2 ILE 47 3.295 4.894 2.749 379 HD11 ILE 47 3HD1 ILE 47 0.937 0.549 1.958 380 HD12 ILE 47 1HD1 ILE 47 -0.520 1.498 2.251 381 HD13 ILE 47 2HD1 ILE 47 0.699 1.342 3.516 382 H TYR 48 H TYR 48 2.459 -0.223 1.046 383 HA TYR 48 HA TYR 48 4.301 0.404 -1.167 384 HB2 TYR 48 2HB TYR 48 2.670 -2.052 -0.546 385 HB3 TYR 48 1HB TYR 48 3.665 -1.842 -1.968 386 HD1 TYR 48 2HD TYR 48 4.774 -0.710 1.450 387 HD2 TYR 48 1HD TYR 48 4.982 -3.676 -1.604 388 HE1 TYR 48 2HE TYR 48 6.717 -1.711 2.585 389 HE2 TYR 48 1HE TYR 48 6.943 -4.708 -0.479 390 HH TYR 48 HH TYR 48 7.911 -3.761 2.710 391 H PHE 49 H PHE 49 3.580 0.405 -3.278 392 HA PHE 49 HA PHE 49 0.741 0.257 -3.921 393 HB2 PHE 49 2HB PHE 49 1.864 2.775 -3.453 394 HB3 PHE 49 1HB PHE 49 1.929 2.579 -5.204 395 HD1 PHE 49 1HD PHE 49 -0.223 1.974 -6.482 396 HD2 PHE 49 2HD PHE 49 -0.182 3.181 -2.341 397 HE1 PHE 49 1HE PHE 49 -2.635 2.514 -6.601 398 HE2 PHE 49 2HE PHE 49 -2.600 3.706 -2.477 399 HZ PHE 49 HZ PHE 49 -3.825 3.371 -4.604 400 H VAL 50 H VAL 50 0.488 -0.545 -5.969 401 HA VAL 50 HA VAL 50 2.939 -1.003 -7.496 402 HB VAL 50 HB VAL 50 0.597 -2.530 -6.832 403 HG11 VAL 50 1HG1 VAL 50 -0.057 -1.823 -9.066 404 HG12 VAL 50 2HG1 VAL 50 0.242 -3.554 -9.014 405 HG13 VAL 50 3HG1 VAL 50 1.432 -2.465 -9.735 406 HG21 VAL 50 3HG2 VAL 50 2.097 -4.388 -7.567 407 HG22 VAL 50 1HG2 VAL 50 2.869 -3.290 -6.423 408 HG23 VAL 50 2HG2 VAL 50 3.252 -3.184 -8.142 409 H CYS 51 H CYS 51 3.241 -0.067 -9.442 410 HA CYS 51 HA CYS 51 1.165 1.788 -10.344 411 HB2 CYS 51 2HB CYS 51 4.093 1.593 -10.602 412 HB3 CYS 51 1HB CYS 51 3.262 2.161 -12.051 413 HG CYS 51 HG CYS 51 2.472 4.225 -10.826 414 H SER 52 H SER 52 2.848 -1.118 -11.385 415 HA SER 52 HA SER 52 0.802 -1.778 -13.258 416 HB2 SER 52 2HB SER 52 1.574 -0.888 -15.163 417 HB3 SER 52 1HB SER 52 2.828 -0.063 -14.243 418 HG SER 52 HG SER 52 3.978 -1.325 -15.557 419 H GLY 53 H GLY 53 0.998 -3.899 -14.023 420 HA2 GLY 53 2HA GLY 53 2.420 -5.860 -14.442 421 HA3 GLY 53 1HA GLY 53 3.319 -5.422 -12.994 422 H SER 54 H SER 54 2.846 -7.656 -12.280 423 HA SER 54 HA SER 54 0.353 -7.689 -10.749 424 HB2 SER 54 2HB SER 54 0.830 -10.237 -12.156 425 HB3 SER 54 1HB SER 54 -0.682 -9.415 -11.784 426 HG SER 54 HG SER 54 0.091 -7.849 -13.456 427 H MET 55 H MET 55 0.493 -8.824 -8.859 428 HA MET 55 HA MET 55 2.637 -10.733 -8.450 429 HB2 MET 55 2HB MET 55 3.577 -9.513 -6.497 430 HB3 MET 55 1HB MET 55 3.851 -8.678 -8.027 431 HG2 MET 55 2HG MET 55 2.842 -6.871 -7.182 432 HG3 MET 55 1HG MET 55 1.340 -7.790 -7.077 433 HE1 MET 55 3HE MET 55 4.643 -7.212 -4.055 434 HE2 MET 55 1HE MET 55 4.735 -7.543 -5.790 435 HE3 MET 55 2HE MET 55 4.571 -8.871 -4.643 436 H GLU 56 H GLU 56 2.576 -11.658 -6.215 437 HA GLU 56 HA GLU 56 0.189 -11.273 -4.654 438 HB2 GLU 56 2HB GLU 56 -0.578 -13.677 -5.064 439 HB3 GLU 56 1HB GLU 56 -0.901 -12.513 -6.350 440 HG2 GLU 56 2HG GLU 56 0.043 -14.637 -7.239 441 HG3 GLU 56 1HG GLU 56 1.093 -13.261 -7.579 442 H VAL 57 H VAL 57 0.139 -12.586 -2.740 443 HA VAL 57 HA VAL 57 2.806 -13.592 -1.985 444 HB VAL 57 HB VAL 57 2.410 -12.837 0.106 445 HG11 VAL 57 1HG1 VAL 57 1.795 -10.876 -1.146 446 HG12 VAL 57 2HG1 VAL 57 0.674 -11.009 0.208 447 HG13 VAL 57 3HG1 VAL 57 0.164 -11.489 -1.408 448 HG21 VAL 57 3HG2 VAL 57 0.196 -13.078 1.249 449 HG22 VAL 57 1HG2 VAL 57 0.837 -14.603 0.639 450 HG23 VAL 57 2HG2 VAL 57 -0.453 -13.777 -0.237 451 H LEU 58 H LEU 58 3.132 -15.735 -1.623 452 HA LEU 58 HA LEU 58 0.840 -17.543 -1.956 453 HB2 LEU 58 2HB LEU 58 3.574 -17.508 -2.920 454 HB3 LEU 58 1HB LEU 58 3.160 -19.048 -2.169 455 HG LEU 58 HG LEU 58 1.553 -17.664 -4.335 456 HD11 LEU 58 1HD1 LEU 58 2.324 -20.009 -5.403 457 HD12 LEU 58 2HD1 LEU 58 3.685 -19.743 -4.311 458 HD13 LEU 58 3HD1 LEU 58 3.299 -18.544 -5.546 459 HD21 LEU 58 3HD2 LEU 58 0.905 -20.419 -4.013 460 HD22 LEU 58 1HD2 LEU 58 -0.130 -19.026 -3.694 461 HD23 LEU 58 2HD2 LEU 58 0.875 -19.692 -2.407 462 H LYS 59 H LYS 59 0.127 -18.728 -0.350 463 HA LYS 59 HA LYS 59 1.861 -19.998 1.520 464 HB2 LYS 59 2HB LYS 59 0.912 -17.423 2.262 465 HB3 LYS 59 1HB LYS 59 0.072 -18.603 3.258 466 HG2 LYS 59 2HG LYS 59 3.061 -18.303 2.938 467 HG3 LYS 59 1HG LYS 59 2.106 -18.006 4.391 468 HD2 LYS 59 2HD LYS 59 2.391 -20.138 4.997 469 HD3 LYS 59 1HD LYS 59 1.517 -20.648 3.559 470 HE2 LYS 59 2HE LYS 59 3.571 -21.723 3.262 471 HE3 LYS 59 1HE LYS 59 3.831 -20.234 2.354 472 HZ1 LYS 59 3HZ LYS 59 5.194 -19.386 3.944 473 HZ2 LYS 59 1HZ LYS 59 5.524 -21.034 4.167 474 HZ3 LYS 59 2HZ LYS 59 4.452 -20.238 5.215 475 H ASP 60 H ASP 60 0.873 -21.726 2.532 476 HA ASP 60 HA ASP 60 -0.665 -23.387 2.862 477 HB2 ASP 60 2HB ASP 60 -2.775 -21.255 2.538 478 HB3 ASP 60 1HB ASP 60 -2.884 -22.759 3.452 479 H ASN 61 H ASN 61 0.253 -23.256 0.282 480 HA ASN 61 HA ASN 61 -0.184 -24.164 -1.776 481 HB2 ASN 61 2HB ASN 61 -2.129 -25.282 -0.011 482 HB3 ASN 61 1HB ASN 61 -2.902 -24.971 -1.563 483 HD21 ASN 61 1HD2 ASN 61 -0.049 -26.584 -0.101 484 HD22 ASN 61 2HD2 ASN 61 0.138 -27.718 -1.350 485 H THR 62 H THR 62 -2.133 -21.650 -0.514 486 HA THR 62 HA THR 62 -2.936 -20.957 -3.273 487 HB THR 62 HB THR 62 -4.585 -20.324 -0.843 488 HG1 THR 62 1HG THR 62 -5.376 -22.187 -2.750 489 HG21 THR 62 3HG2 THR 62 -5.193 -20.237 -3.813 490 HG22 THR 62 1HG2 THR 62 -4.864 -18.818 -2.810 491 HG23 THR 62 2HG2 THR 62 -6.307 -19.798 -2.521 492 H VAL 63 H VAL 63 -3.179 -18.718 -3.699 493 HA VAL 63 HA VAL 63 -1.139 -17.131 -2.507 494 HB VAL 63 HB VAL 63 -2.763 -15.414 -3.950 495 HG11 VAL 63 1HG1 VAL 63 -0.507 -17.193 -4.917 496 HG12 VAL 63 2HG1 VAL 63 -0.310 -15.638 -4.108 497 HG13 VAL 63 3HG1 VAL 63 -1.055 -15.716 -5.704 498 HG21 VAL 63 3HG2 VAL 63 -4.124 -17.474 -4.513 499 HG22 VAL 63 1HG2 VAL 63 -2.684 -18.123 -5.293 500 HG23 VAL 63 2HG2 VAL 63 -3.439 -16.658 -5.921 501 H LEU 64 H LEU 64 -1.293 -15.940 -0.690 502 HA LEU 64 HA LEU 64 -3.818 -15.734 0.667 503 HB2 LEU 64 2HB LEU 64 -1.041 -15.347 1.323 504 HB3 LEU 64 1HB LEU 64 -1.973 -13.952 1.855 505 HG LEU 64 HG LEU 64 -3.632 -15.691 2.830 506 HD11 LEU 64 1HD1 LEU 64 -1.261 -17.366 2.074 507 HD12 LEU 64 2HD1 LEU 64 -2.976 -17.758 1.974 508 HD13 LEU 64 3HD1 LEU 64 -2.158 -17.768 3.537 509 HD21 LEU 64 3HD2 LEU 64 -2.148 -14.250 4.188 510 HD22 LEU 64 1HD2 LEU 64 -0.842 -15.420 3.998 511 HD23 LEU 64 2HD2 LEU 64 -2.295 -15.858 4.897 512 H ALA 65 H ALA 65 -2.079 -13.868 -1.634 513 HA ALA 65 HA ALA 65 -4.215 -11.869 -1.537 514 HB1 ALA 65 1HB ALA 65 -3.004 -10.169 -0.737 515 HB2 ALA 65 2HB ALA 65 -1.709 -10.481 -1.890 516 HB3 ALA 65 3HB ALA 65 -1.735 -11.326 -0.341 517 H ILE 66 H ILE 66 -4.810 -11.220 -3.497 518 HA ILE 66 HA ILE 66 -3.005 -11.779 -5.772 519 HB ILE 66 HB ILE 66 -5.979 -12.205 -5.504 520 HG12 ILE 66 2HG1 ILE 66 -5.084 -14.386 -6.715 521 HG13 ILE 66 1HG1 ILE 66 -3.546 -13.884 -6.013 522 HG21 ILE 66 1HG2 ILE 66 -5.685 -11.003 -7.580 523 HG22 ILE 66 2HG2 ILE 66 -5.895 -12.709 -7.974 524 HG23 ILE 66 3HG2 ILE 66 -4.287 -11.989 -8.008 525 HD11 ILE 66 3HD1 ILE 66 -4.522 -13.855 -3.783 526 HD12 ILE 66 1HD1 ILE 66 -4.829 -15.420 -4.524 527 HD13 ILE 66 2HD1 ILE 66 -6.115 -14.220 -4.441 528 H LEU 67 H LEU 67 -2.304 -9.702 -6.339 529 HA LEU 67 HA LEU 67 -4.449 -7.739 -6.804 530 HB2 LEU 67 2HB LEU 67 -2.358 -6.138 -6.097 531 HB3 LEU 67 1HB LEU 67 -3.693 -6.581 -5.039 532 HG LEU 67 HG LEU 67 -2.345 -8.607 -4.350 533 HD11 LEU 67 1HD1 LEU 67 -0.898 -8.149 -6.541 534 HD12 LEU 67 2HD1 LEU 67 -0.190 -8.925 -5.120 535 HD13 LEU 67 3HD1 LEU 67 0.066 -7.203 -5.408 536 HD21 LEU 67 3HD2 LEU 67 -2.432 -6.513 -2.998 537 HD22 LEU 67 1HD2 LEU 67 -1.029 -5.911 -3.881 538 HD23 LEU 67 2HD2 LEU 67 -0.879 -7.335 -2.851 539 H GLY 68 H GLY 68 -3.843 -5.936 -8.208 540 HA2 GLY 68 2HA GLY 68 -1.732 -6.642 -10.149 541 HA3 GLY 68 1HA GLY 68 -3.348 -6.206 -10.692 542 H LYS 69 H LYS 69 -2.482 -4.459 -11.877 543 HA LYS 69 HA LYS 69 -0.825 -2.432 -10.996 544 HB2 LYS 69 2HB LYS 69 -3.115 -2.007 -12.891 545 HB3 LYS 69 1HB LYS 69 -1.532 -1.247 -12.889 546 HG2 LYS 69 2HG LYS 69 -0.535 -3.546 -13.283 547 HG3 LYS 69 1HG LYS 69 -2.181 -4.120 -13.556 548 HD2 LYS 69 2HD LYS 69 -2.442 -2.388 -15.339 549 HD3 LYS 69 1HD LYS 69 -0.748 -1.953 -15.118 550 HE2 LYS 69 2HE LYS 69 -1.398 -3.685 -16.980 551 HE3 LYS 69 1HE LYS 69 0.026 -3.981 -15.982 552 HZ1 LYS 69 3HZ LYS 69 -2.674 -5.045 -15.362 553 HZ2 LYS 69 1HZ LYS 69 -1.212 -5.445 -14.600 554 HZ3 LYS 69 2HZ LYS 69 -1.486 -5.917 -16.208 555 H GLY 70 H GLY 70 -1.021 -0.722 -9.721 556 HA2 GLY 70 2HA GLY 70 -1.987 1.107 -8.673 557 HA3 GLY 70 1HA GLY 70 -3.555 0.588 -9.254 558 H ASP 71 H ASP 71 -2.736 -2.174 -8.109 559 HA ASP 71 HA ASP 71 -4.299 -2.208 -5.853 560 HB2 ASP 71 2HB ASP 71 -3.343 -4.311 -5.341 561 HB3 ASP 71 1HB ASP 71 -3.230 -4.169 -7.096 562 H LEU 72 H LEU 72 -3.299 -2.933 -3.616 563 HA LEU 72 HA LEU 72 -1.093 -1.154 -2.853 564 HB2 LEU 72 2HB LEU 72 -3.259 0.026 -2.399 565 HB3 LEU 72 1HB LEU 72 -3.694 -1.292 -1.311 566 HG LEU 72 HG LEU 72 -1.349 -0.802 -0.231 567 HD11 LEU 72 1HD1 LEU 72 -0.862 0.867 -2.120 568 HD12 LEU 72 2HD1 LEU 72 -0.541 1.420 -0.475 569 HD13 LEU 72 3HD1 LEU 72 -2.002 1.943 -1.311 570 HD21 LEU 72 3HD2 LEU 72 -3.612 -0.473 0.814 571 HD22 LEU 72 1HD2 LEU 72 -3.635 1.158 0.141 572 HD23 LEU 72 2HD2 LEU 72 -2.418 0.715 1.338 573 H ILE 73 H ILE 73 0.218 -1.971 -1.302 574 HA ILE 73 HA ILE 73 -0.602 -4.519 -0.102 575 HB ILE 73 HB ILE 73 1.005 -5.512 -1.273 576 HG12 ILE 73 2HG1 ILE 73 3.375 -5.171 -0.534 577 HG13 ILE 73 1HG1 ILE 73 2.824 -3.851 0.484 578 HG21 ILE 73 1HG2 ILE 73 1.439 -2.777 -2.066 579 HG22 ILE 73 2HG2 ILE 73 1.394 -4.236 -3.045 580 HG23 ILE 73 3HG2 ILE 73 2.877 -3.782 -2.208 581 HD11 ILE 73 3HD1 ILE 73 1.369 -6.442 0.707 582 HD12 ILE 73 1HD1 ILE 73 1.739 -5.253 1.955 583 HD13 ILE 73 2HD1 ILE 73 2.992 -6.360 1.397 584 H GLY 74 H GLY 74 -0.619 -4.552 1.941 585 HA2 GLY 74 2HA GLY 74 0.963 -4.114 3.949 586 HA3 GLY 74 1HA GLY 74 0.706 -2.432 3.495 587 H SER 75 H SER 75 -0.010 -3.687 6.007 588 HA SER 75 HA SER 75 -2.865 -4.115 6.014 589 HB2 SER 75 2HB SER 75 -1.997 -3.556 8.637 590 HB3 SER 75 1HB SER 75 -2.293 -5.140 7.926 591 HG SER 75 HG SER 75 -0.192 -5.165 8.541 592 H ASP 76 H ASP 76 -4.451 -2.756 6.876 593 HA ASP 76 HA ASP 76 -4.070 0.033 6.399 594 HB2 ASP 76 2HB ASP 76 -6.238 -1.489 6.306 595 HB3 ASP 76 1HB ASP 76 -6.400 -0.958 7.980 596 H SER 77 H SER 77 -5.384 1.373 8.334 597 HA SER 77 HA SER 77 -5.203 2.323 10.421 598 HB2 SER 77 2HB SER 77 -5.002 0.922 12.199 599 HB3 SER 77 1HB SER 77 -5.128 -0.331 10.967 600 HG SER 77 HG SER 77 -3.272 -0.863 11.882 601 H LEU 78 H LEU 78 -3.342 2.927 8.397 602 HA LEU 78 HA LEU 78 -0.646 2.812 9.174 603 HB2 LEU 78 2HB LEU 78 -2.233 4.195 7.181 604 HB3 LEU 78 1HB LEU 78 -0.991 5.259 7.841 605 HG LEU 78 HG LEU 78 0.651 3.332 7.482 606 HD11 LEU 78 1HD1 LEU 78 -1.817 2.083 6.663 607 HD12 LEU 78 2HD1 LEU 78 -0.218 1.361 6.833 608 HD13 LEU 78 3HD1 LEU 78 -0.689 2.109 5.308 609 HD21 LEU 78 3HD2 LEU 78 0.249 3.744 4.791 610 HD22 LEU 78 1HD2 LEU 78 1.108 4.850 5.857 611 HD23 LEU 78 2HD2 LEU 78 -0.600 5.120 5.498 612 H THR 79 H THR 79 -3.202 4.324 10.698 613 HA THR 79 HA THR 79 -1.886 6.688 11.653 614 HB THR 79 HB THR 79 -4.146 5.433 13.149 615 HG1 THR 79 1HG THR 79 -5.000 6.894 11.056 616 HG21 THR 79 3HG2 THR 79 -4.903 7.840 13.074 617 HG22 THR 79 1HG2 THR 79 -3.391 8.222 12.250 618 HG23 THR 79 2HG2 THR 79 -3.363 7.587 13.894 619 H LYS 80 H LYS 80 -2.786 3.605 13.217 620 HA LYS 80 HA LYS 80 -1.170 4.195 15.541 621 HB2 LYS 80 2HB LYS 80 -1.919 2.043 16.360 622 HB3 LYS 80 1HB LYS 80 -3.297 2.887 15.651 623 HG2 LYS 80 2HG LYS 80 -2.569 1.625 13.456 624 HG3 LYS 80 1HG LYS 80 -1.771 0.532 14.587 625 HD2 LYS 80 2HD LYS 80 -4.705 1.299 14.649 626 HD3 LYS 80 1HD LYS 80 -4.058 -0.245 14.090 627 HE2 LYS 80 2HE LYS 80 -4.601 -0.764 16.294 628 HE3 LYS 80 1HE LYS 80 -2.912 -0.283 16.467 629 HZ1 LYS 80 3HZ LYS 80 -3.466 1.659 17.465 630 HZ2 LYS 80 1HZ LYS 80 -4.810 0.747 17.953 631 HZ3 LYS 80 2HZ LYS 80 -4.941 1.812 16.637 632 H GLU 81 H GLU 81 -0.597 2.940 12.464 633 HA GLU 81 HA GLU 81 0.995 1.348 11.700 634 HB2 GLU 81 2HB GLU 81 1.813 3.624 11.302 635 HB3 GLU 81 1HB GLU 81 2.552 3.646 12.904 636 HG2 GLU 81 2HG GLU 81 3.318 1.287 11.358 637 HG3 GLU 81 1HG GLU 81 3.779 2.791 10.563 638 H GLN 82 H GLN 82 1.120 -0.562 12.773 639 HA GLN 82 HA GLN 82 2.799 -0.648 15.208 640 HB2 GLN 82 2HB GLN 82 0.242 -1.859 14.555 641 HB3 GLN 82 1HB GLN 82 1.437 -3.080 14.987 642 HG2 GLN 82 2HG GLN 82 0.118 -2.125 16.928 643 HG3 GLN 82 1HG GLN 82 1.870 -2.069 17.084 644 HE21 GLN 82 1HE2 GLN 82 -0.865 -0.008 15.949 645 HE22 GLN 82 2HE2 GLN 82 -0.161 1.452 16.454 646 H VAL 83 H VAL 83 3.869 -2.886 15.455 647 HA VAL 83 HA VAL 83 5.579 -3.273 13.208 648 HB VAL 83 HB VAL 83 6.609 -3.626 15.288 649 HG11 VAL 83 1HG1 VAL 83 3.996 -4.582 15.962 650 HG12 VAL 83 2HG1 VAL 83 5.310 -4.139 17.051 651 HG13 VAL 83 3HG1 VAL 83 5.181 -5.793 16.446 652 HG21 VAL 83 3HG2 VAL 83 6.699 -5.553 13.399 653 HG22 VAL 83 1HG2 VAL 83 6.046 -6.500 14.737 654 HG23 VAL 83 2HG2 VAL 83 7.594 -5.674 14.915 655 H ILE 84 H ILE 84 4.802 -4.190 11.406 656 HA ILE 84 HA ILE 84 3.202 -6.662 11.701 657 HB ILE 84 HB ILE 84 3.164 -4.670 9.422 658 HG12 ILE 84 2HG1 ILE 84 0.644 -4.917 10.703 659 HG13 ILE 84 1HG1 ILE 84 1.835 -4.696 11.986 660 HG21 ILE 84 1HG2 ILE 84 2.484 -7.375 9.454 661 HG22 ILE 84 2HG2 ILE 84 1.944 -6.182 8.274 662 HG23 ILE 84 3HG2 ILE 84 0.944 -6.547 9.680 663 HD11 ILE 84 3HD1 ILE 84 1.218 -2.880 9.662 664 HD12 ILE 84 1HD1 ILE 84 2.772 -2.789 10.491 665 HD13 ILE 84 2HD1 ILE 84 1.278 -2.489 11.381 666 H LYS 85 H LYS 85 4.017 -8.465 10.874 667 HA LYS 85 HA LYS 85 6.233 -8.234 8.932 668 HB2 LYS 85 2HB LYS 85 6.644 -10.667 10.135 669 HB3 LYS 85 1HB LYS 85 7.489 -9.183 10.555 670 HG2 LYS 85 2HG LYS 85 6.004 -8.720 12.357 671 HG3 LYS 85 1HG LYS 85 4.871 -9.952 11.815 672 HD2 LYS 85 2HD LYS 85 6.604 -11.694 12.248 673 HD3 LYS 85 1HD LYS 85 7.658 -10.437 12.895 674 HE2 LYS 85 2HE LYS 85 5.873 -11.892 14.389 675 HE3 LYS 85 1HE LYS 85 6.528 -10.320 14.846 676 HZ1 LYS 85 3HZ LYS 85 4.644 -9.289 13.668 677 HZ2 LYS 85 1HZ LYS 85 4.153 -10.250 14.976 678 HZ3 LYS 85 2HZ LYS 85 3.993 -10.833 13.388 679 H THR 86 H THR 86 6.016 -9.389 7.099 680 HA THR 86 HA THR 86 3.498 -10.684 6.596 681 HB THR 86 HB THR 86 5.919 -10.734 4.785 682 HG1 THR 86 1HG THR 86 5.692 -8.674 4.638 683 HG21 THR 86 3HG2 THR 86 2.924 -10.825 4.328 684 HG22 THR 86 1HG2 THR 86 4.050 -12.166 4.123 685 HG23 THR 86 2HG2 THR 86 4.137 -10.770 3.047 686 H ASN 87 H ASN 87 3.034 -12.661 7.221 687 HA ASN 87 HA ASN 87 5.103 -14.564 7.916 688 HB2 ASN 87 2HB ASN 87 2.607 -14.084 8.884 689 HB3 ASN 87 1HB ASN 87 2.296 -15.467 7.834 690 HD21 ASN 87 1HD2 ASN 87 4.631 -14.423 10.383 691 HD22 ASN 87 2HD2 ASN 87 4.823 -15.976 11.041 692 H ALA 88 H ALA 88 3.273 -13.827 5.131 693 HA ALA 88 HA ALA 88 3.528 -16.511 4.006 694 HB1 ALA 88 1HB ALA 88 2.079 -14.015 3.196 695 HB2 ALA 88 2HB ALA 88 1.443 -15.646 3.413 696 HB3 ALA 88 3HB ALA 88 2.419 -15.259 1.994 697 H ASN 89 H ASN 89 3.969 -16.050 1.366 698 HA ASN 89 HA ASN 89 6.638 -14.752 1.329 699 HB2 ASN 89 2HB ASN 89 5.873 -17.426 0.649 700 HB3 ASN 89 1HB ASN 89 6.349 -16.599 -0.832 701 HD21 ASN 89 1HD2 ASN 89 8.577 -16.183 -1.150 702 HD22 ASN 89 2HD2 ASN 89 9.772 -16.557 -0.005 703 H VAL 90 H VAL 90 6.926 -13.166 -0.264 704 HA VAL 90 HA VAL 90 4.616 -12.670 -1.965 705 HB VAL 90 HB VAL 90 6.890 -10.995 -1.025 706 HG11 VAL 90 1HG1 VAL 90 6.664 -10.514 -3.292 707 HG12 VAL 90 2HG1 VAL 90 5.796 -9.221 -2.461 708 HG13 VAL 90 3HG1 VAL 90 4.909 -10.539 -3.233 709 HG21 VAL 90 3HG2 VAL 90 4.696 -11.376 0.314 710 HG22 VAL 90 1HG2 VAL 90 3.948 -10.377 -0.932 711 HG23 VAL 90 2HG2 VAL 90 5.241 -9.714 0.072 712 H LYS 91 H LYS 91 4.704 -13.008 -4.057 713 HA LYS 91 HA LYS 91 7.314 -13.090 -5.392 714 HB2 LYS 91 2HB LYS 91 6.558 -15.429 -4.751 715 HB3 LYS 91 1HB LYS 91 5.217 -15.203 -5.875 716 HG2 LYS 91 2HG LYS 91 6.987 -14.582 -7.624 717 HG3 LYS 91 1HG LYS 91 8.176 -15.231 -6.492 718 HD2 LYS 91 2HD LYS 91 7.590 -17.025 -7.976 719 HD3 LYS 91 1HD LYS 91 6.797 -17.362 -6.437 720 HE2 LYS 91 2HE LYS 91 4.723 -17.125 -7.320 721 HE3 LYS 91 1HE LYS 91 5.187 -15.698 -8.247 722 HZ1 LYS 91 3HZ LYS 91 4.681 -17.417 -9.777 723 HZ2 LYS 91 1HZ LYS 91 5.653 -18.538 -8.959 724 HZ3 LYS 91 2HZ LYS 91 6.370 -17.237 -9.784 725 H ALA 92 H ALA 92 7.230 -11.693 -7.014 726 HA ALA 92 HA ALA 92 4.778 -10.645 -8.032 727 HB1 ALA 92 1HB ALA 92 7.675 -10.269 -8.569 728 HB2 ALA 92 2HB ALA 92 6.409 -9.070 -8.308 729 HB3 ALA 92 3HB ALA 92 6.566 -9.856 -9.878 730 H LEU 93 H LEU 93 3.502 -11.550 -9.492 731 HA LEU 93 HA LEU 93 4.175 -13.975 -10.830 732 HB2 LEU 93 2HB LEU 93 1.827 -12.346 -10.377 733 HB3 LEU 93 1HB LEU 93 1.901 -12.880 -12.056 734 HG LEU 93 HG LEU 93 2.038 -15.188 -11.405 735 HD11 LEU 93 1HD1 LEU 93 2.862 -13.995 -8.834 736 HD12 LEU 93 2HD1 LEU 93 3.304 -15.547 -9.548 737 HD13 LEU 93 3HD1 LEU 93 1.777 -15.377 -8.681 738 HD21 LEU 93 3HD2 LEU 93 -0.066 -13.444 -10.309 739 HD22 LEU 93 1HD2 LEU 93 0.033 -15.017 -9.517 740 HD23 LEU 93 2HD2 LEU 93 -0.214 -14.921 -11.261 741 H THR 94 H THR 94 3.590 -10.640 -11.881 742 HA THR 94 HA THR 94 5.122 -11.197 -14.347 743 HB THR 94 HB THR 94 3.638 -9.461 -15.437 744 HG1 THR 94 1HG THR 94 2.539 -8.441 -13.946 745 HG21 THR 94 3HG2 THR 94 2.140 -11.881 -14.407 746 HG22 THR 94 1HG2 THR 94 3.366 -11.967 -15.673 747 HG23 THR 94 2HG2 THR 94 1.891 -11.037 -15.936 748 H TYR 95 H TYR 95 6.489 -9.522 -15.039 749 HA TYR 95 HA TYR 95 7.843 -8.053 -13.164 750 HB2 TYR 95 2HB TYR 95 7.813 -6.464 -15.519 751 HB3 TYR 95 1HB TYR 95 9.057 -7.600 -14.993 752 HD1 TYR 95 2HD TYR 95 5.526 -7.978 -16.211 753 HD2 TYR 95 1HD TYR 95 9.653 -9.055 -16.714 754 HE1 TYR 95 2HE TYR 95 4.900 -9.514 -18.056 755 HE2 TYR 95 1HE TYR 95 9.028 -10.591 -18.558 756 HH TYR 95 HH TYR 95 5.630 -10.929 -19.594 757 H CYS 96 H CYS 96 7.195 -6.545 -11.800 758 HA CYS 96 HA CYS 96 5.298 -4.500 -12.741 759 HB2 CYS 96 2HB CYS 96 3.860 -4.764 -10.925 760 HB3 CYS 96 1HB CYS 96 4.280 -6.430 -11.309 761 HG CYS 96 HG CYS 96 5.798 -4.886 -9.055 762 H ASP 97 H ASP 97 5.506 -2.498 -11.818 763 HA ASP 97 HA ASP 97 8.037 -2.023 -10.404 764 HB2 ASP 97 2HB ASP 97 7.709 -0.622 -12.344 765 HB3 ASP 97 1HB ASP 97 6.096 -0.165 -11.800 766 H LEU 98 H LEU 98 8.048 -1.591 -8.270 767 HA LEU 98 HA LEU 98 5.440 -1.028 -7.006 768 HB2 LEU 98 2HB LEU 98 7.710 -2.764 -6.256 769 HB3 LEU 98 1HB LEU 98 6.951 -1.869 -4.941 770 HG LEU 98 HG LEU 98 5.031 -3.105 -6.805 771 HD11 LEU 98 1HD1 LEU 98 6.661 -4.858 -6.907 772 HD12 LEU 98 2HD1 LEU 98 5.407 -5.379 -5.782 773 HD13 LEU 98 3HD1 LEU 98 6.950 -4.776 -5.169 774 HD21 LEU 98 3HD2 LEU 98 4.084 -3.847 -4.582 775 HD22 LEU 98 1HD2 LEU 98 4.291 -2.101 -4.727 776 HD23 LEU 98 2HD2 LEU 98 5.450 -3.053 -3.800 777 H GLN 99 H GLN 99 5.164 0.788 -5.936 778 HA GLN 99 HA GLN 99 7.542 2.427 -5.310 779 HB2 GLN 99 2HB GLN 99 4.687 3.377 -5.676 780 HB3 GLN 99 1HB GLN 99 6.129 4.379 -5.504 781 HG2 GLN 99 2HG GLN 99 5.690 2.413 -7.769 782 HG3 GLN 99 1HG GLN 99 5.358 4.141 -7.882 783 HE21 GLN 99 1HE2 GLN 99 7.281 5.620 -7.485 784 HE22 GLN 99 2HE2 GLN 99 8.827 5.057 -7.903 785 H TYR 100 H TYR 100 7.878 2.918 -3.193 786 HA TYR 100 HA TYR 100 5.710 2.815 -1.293 787 HB2 TYR 100 2HB TYR 100 6.494 1.025 0.055 788 HB3 TYR 100 1HB TYR 100 6.451 0.401 -1.589 789 HD1 TYR 100 2HD TYR 100 9.086 2.192 -2.264 790 HD2 TYR 100 1HD TYR 100 8.056 -0.780 0.652 791 HE1 TYR 100 2HE TYR 100 11.470 1.551 -2.063 792 HE2 TYR 100 1HE TYR 100 10.433 -1.417 0.844 793 HH TYR 100 HH TYR 100 12.475 -1.208 -0.103 794 H ILE 101 H ILE 101 6.505 3.283 0.942 795 HA ILE 101 HA ILE 101 9.059 4.652 1.100 796 HB ILE 101 HB ILE 101 8.219 6.676 0.590 797 HG12 ILE 101 2HG1 ILE 101 7.885 6.636 3.192 798 HG13 ILE 101 1HG1 ILE 101 7.088 7.887 2.252 799 HG21 ILE 101 1HG2 ILE 101 5.607 5.207 0.724 800 HG22 ILE 101 2HG2 ILE 101 6.477 5.743 -0.718 801 HG23 ILE 101 3HG2 ILE 101 5.684 6.924 0.328 802 HD11 ILE 101 3HD1 ILE 101 5.683 5.281 2.728 803 HD12 ILE 101 1HD1 ILE 101 5.008 6.860 2.360 804 HD13 ILE 101 2HD1 ILE 101 5.659 6.534 3.968 805 H SER 102 H SER 102 9.607 5.261 3.290 806 HA SER 102 HA SER 102 8.571 3.384 5.208 807 HB2 SER 102 2HB SER 102 10.251 4.205 6.676 808 HB3 SER 102 1HB SER 102 10.977 4.222 5.071 809 HG SER 102 HG SER 102 10.209 6.316 6.725 810 H LEU 103 H LEU 103 6.911 3.689 6.535 811 HA LEU 103 HA LEU 103 5.138 5.789 6.460 812 HB2 LEU 103 2HB LEU 103 5.626 3.514 8.189 813 HB3 LEU 103 1HB LEU 103 5.054 4.899 9.119 814 HG LEU 103 HG LEU 103 3.221 3.415 8.193 815 HD11 LEU 103 1HD1 LEU 103 3.260 6.085 8.588 816 HD12 LEU 103 2HD1 LEU 103 1.827 5.229 8.017 817 HD13 LEU 103 3HD1 LEU 103 2.878 6.055 6.866 818 HD21 LEU 103 3HD2 LEU 103 4.723 3.487 5.895 819 HD22 LEU 103 1HD2 LEU 103 3.472 4.678 5.537 820 HD23 LEU 103 2HD2 LEU 103 3.023 3.025 5.958 821 H LYS 104 H LYS 104 8.054 5.471 8.425 822 HA LYS 104 HA LYS 104 7.603 7.765 10.048 823 HB2 LYS 104 2HB LYS 104 10.327 6.728 9.294 824 HB3 LYS 104 1HB LYS 104 9.819 7.489 10.802 825 HG2 LYS 104 2HG LYS 104 8.194 5.463 11.002 826 HG3 LYS 104 1HG LYS 104 9.252 4.708 9.815 827 HD2 LYS 104 2HD LYS 104 11.153 5.558 11.462 828 HD3 LYS 104 1HD LYS 104 9.840 5.509 12.638 829 HE2 LYS 104 2HE LYS 104 10.337 3.309 12.850 830 HE3 LYS 104 1HE LYS 104 9.535 3.112 11.292 831 HZ1 LYS 104 3HZ LYS 104 11.460 2.529 10.408 832 HZ2 LYS 104 1HZ LYS 104 12.229 2.704 11.910 833 HZ3 LYS 104 2HZ LYS 104 12.144 4.023 10.841 834 H GLY 105 H GLY 105 9.252 7.203 6.984 835 HA2 GLY 105 2HA GLY 105 10.409 9.759 6.639 836 HA3 GLY 105 1HA GLY 105 10.025 8.611 5.361 837 H LEU 106 H LEU 106 7.324 8.388 5.520 838 HA LEU 106 HA LEU 106 6.488 10.685 4.107 839 HB2 LEU 106 2HB LEU 106 5.462 8.676 3.483 840 HB3 LEU 106 1HB LEU 106 5.040 8.270 5.146 841 HG LEU 106 HG LEU 106 3.963 10.842 4.140 842 HD11 LEU 106 1HD1 LEU 106 3.670 9.455 2.144 843 HD12 LEU 106 2HD1 LEU 106 2.112 9.683 2.940 844 HD13 LEU 106 3HD1 LEU 106 2.979 8.159 3.120 845 HD21 LEU 106 3HD2 LEU 106 3.534 9.637 6.389 846 HD22 LEU 106 1HD2 LEU 106 2.526 8.531 5.456 847 HD23 LEU 106 2HD2 LEU 106 2.125 10.247 5.521 848 H ARG 107 H ARG 107 5.839 9.574 7.408 849 HA ARG 107 HA ARG 107 3.921 11.585 7.918 850 HB2 ARG 107 2HB ARG 107 3.898 9.599 9.275 851 HB3 ARG 107 1HB ARG 107 5.535 9.910 9.826 852 HG2 ARG 107 2HG ARG 107 3.897 10.612 11.525 853 HG3 ARG 107 1HG ARG 107 4.797 11.996 10.906 854 HD2 ARG 107 2HD ARG 107 2.930 12.943 10.081 855 HD3 ARG 107 1HD ARG 107 2.464 11.446 9.278 856 HE ARG 107 HE ARG 107 0.978 11.086 11.011 857 HH11 ARG 107 1HH2 ARG 107 3.525 13.201 12.023 858 HH12 ARG 107 2HH2 ARG 107 2.847 13.493 13.590 859 HH21 ARG 107 1HH1 ARG 107 0.084 11.463 13.062 860 HH22 ARG 107 2HH1 ARG 107 0.898 12.509 14.178 861 H GLU 108 H GLU 108 7.380 11.585 8.130 862 HA GLU 108 HA GLU 108 7.644 13.844 9.860 863 HB2 GLU 108 2HB GLU 108 9.399 12.011 8.933 864 HB3 GLU 108 1HB GLU 108 9.746 13.341 7.828 865 HG2 GLU 108 2HG GLU 108 9.737 14.786 10.029 866 HG3 GLU 108 1HG GLU 108 10.038 13.235 10.812 867 H VAL 109 H VAL 109 7.927 13.394 6.385 868 HA VAL 109 HA VAL 109 8.228 16.064 5.600 869 HB VAL 109 HB VAL 109 7.087 15.114 3.447 870 HG11 VAL 109 1HG1 VAL 109 9.407 15.227 3.291 871 HG12 VAL 109 2HG1 VAL 109 9.175 13.473 3.267 872 HG13 VAL 109 3HG1 VAL 109 9.639 14.281 4.762 873 HG21 VAL 109 3HG2 VAL 109 7.119 12.737 5.252 874 HG22 VAL 109 1HG2 VAL 109 7.301 12.561 3.513 875 HG23 VAL 109 2HG2 VAL 109 5.859 13.323 4.183 876 H LEU 110 H LEU 110 5.325 14.049 5.818 877 HA LEU 110 HA LEU 110 3.478 16.104 5.247 878 HB2 LEU 110 2HB LEU 110 3.441 13.344 5.843 879 HB3 LEU 110 1HB LEU 110 2.365 14.091 6.986 880 HG LEU 110 HG LEU 110 1.105 15.137 5.171 881 HD11 LEU 110 1HD1 LEU 110 3.559 14.606 3.742 882 HD12 LEU 110 2HD1 LEU 110 2.236 15.681 3.301 883 HD13 LEU 110 3HD1 LEU 110 2.179 13.979 2.843 884 HD21 LEU 110 3HD2 LEU 110 0.058 13.214 4.430 885 HD22 LEU 110 1HD2 LEU 110 1.029 12.533 5.737 886 HD23 LEU 110 2HD2 LEU 110 1.581 12.400 4.067 887 H ARG 111 H ARG 111 5.216 15.194 8.128 888 HA ARG 111 HA ARG 111 3.666 16.456 10.093 889 HB2 ARG 111 2HB ARG 111 5.953 15.149 10.272 890 HB3 ARG 111 1HB ARG 111 6.649 16.762 10.118 891 HG2 ARG 111 2HG ARG 111 5.389 17.545 12.041 892 HG3 ARG 111 1HG ARG 111 4.534 16.006 12.152 893 HD2 ARG 111 2HD ARG 111 6.687 14.854 12.566 894 HD3 ARG 111 1HD ARG 111 7.519 16.404 12.493 895 HE ARG 111 HE ARG 111 6.771 16.843 14.645 896 HH11 ARG 111 1HH2 ARG 111 4.961 14.271 13.202 897 HH12 ARG 111 2HH2 ARG 111 4.099 13.879 14.653 898 HH21 ARG 111 1HH1 ARG 111 5.647 16.335 16.550 899 HH22 ARG 111 2HH1 ARG 111 4.487 15.048 16.548 900 H LEU 112 H LEU 112 5.916 17.660 7.684 901 HA LEU 112 HA LEU 112 5.994 20.372 8.514 902 HB2 LEU 112 2HB LEU 112 7.438 19.162 6.722 903 HB3 LEU 112 1HB LEU 112 6.098 19.501 5.627 904 HG LEU 112 HG LEU 112 6.272 21.936 6.441 905 HD11 LEU 112 1HD1 LEU 112 7.770 22.366 8.065 906 HD12 LEU 112 2HD1 LEU 112 9.064 21.878 6.970 907 HD13 LEU 112 3HD1 LEU 112 8.316 20.690 8.036 908 HD21 LEU 112 3HD2 LEU 112 8.744 20.988 4.992 909 HD22 LEU 112 1HD2 LEU 112 7.794 22.447 4.708 910 HD23 LEU 112 2HD2 LEU 112 7.153 20.871 4.240 911 H TYR 113 H TYR 113 3.754 18.370 6.799 912 HA TYR 113 HA TYR 113 1.893 20.667 6.488 913 HB2 TYR 113 2HB TYR 113 2.622 18.474 4.675 914 HB3 TYR 113 1HB TYR 113 0.881 18.668 4.884 915 HD1 TYR 113 1HD TYR 113 4.012 20.514 4.052 916 HD2 TYR 113 2HD TYR 113 -0.280 20.475 3.876 917 HE1 TYR 113 1HE TYR 113 4.055 22.496 2.562 918 HE2 TYR 113 2HE TYR 113 -0.237 22.457 2.386 919 HH TYR 113 HH TYR 113 1.070 23.789 1.141 920 HA PRO 114 HA PRO 114 0.289 17.950 9.861 921 HB2 PRO 114 2HB PRO 114 -1.095 20.448 10.604 922 HB3 PRO 114 1HB PRO 114 -0.046 19.402 11.576 923 HG2 PRO 114 2HG PRO 114 0.741 21.809 10.700 924 HG3 PRO 114 1HG PRO 114 1.862 20.452 10.891 925 HD2 PRO 114 2HD PRO 114 0.673 21.571 8.382 926 HD3 PRO 114 1HD PRO 114 2.289 20.889 8.662 927 H GLU 115 H GLU 115 -1.682 20.313 7.999 928 HA GLU 115 HA GLU 115 -4.174 19.148 8.659 929 HB2 GLU 115 2HB GLU 115 -3.363 20.752 6.223 930 HB3 GLU 115 1HB GLU 115 -5.026 20.369 6.669 931 HG2 GLU 115 2HG GLU 115 -4.795 21.573 8.769 932 HG3 GLU 115 1HG GLU 115 -3.082 21.851 8.460 933 H TYR 116 H TYR 116 -2.186 18.793 5.733 934 HA TYR 116 HA TYR 116 -3.833 16.755 4.601 935 HB2 TYR 116 2HB TYR 116 -1.253 18.061 3.973 936 HB3 TYR 116 1HB TYR 116 -1.469 16.434 3.337 937 HD1 TYR 116 1HD TYR 116 -3.824 15.958 2.226 938 HD2 TYR 116 2HD TYR 116 -2.128 19.867 2.772 939 HE1 TYR 116 1HE TYR 116 -5.312 16.852 0.454 940 HE2 TYR 116 2HE TYR 116 -3.612 20.759 0.998 941 HH TYR 116 HH TYR 116 -5.229 20.304 -0.444 942 H ALA 117 H ALA 117 -1.008 16.815 6.659 943 HA ALA 117 HA ALA 117 -0.284 14.108 6.426 944 HB1 ALA 117 1HB ALA 117 1.261 15.678 7.292 945 HB2 ALA 117 2HB ALA 117 0.917 14.517 8.576 946 HB3 ALA 117 3HB ALA 117 0.176 16.119 8.608 947 H GLN 118 H GLN 118 -2.043 15.686 9.100 948 HA GLN 118 HA GLN 118 -2.651 13.364 10.491 949 HB2 GLN 118 2HB GLN 118 -4.289 15.887 10.121 950 HB3 GLN 118 1HB GLN 118 -4.663 14.636 11.293 951 HG2 GLN 118 2HG GLN 118 -2.181 16.349 11.193 952 HG3 GLN 118 1HG GLN 118 -3.418 16.326 12.444 953 HE21 GLN 118 1HE2 GLN 118 -0.709 14.479 11.075 954 HE22 GLN 118 2HE2 GLN 118 -0.532 13.436 12.402 955 H LYS 119 H LYS 119 -4.029 14.758 7.610 956 HA LYS 119 HA LYS 119 -6.288 12.996 7.441 957 HB2 LYS 119 2HB LYS 119 -5.528 15.331 6.191 958 HB3 LYS 119 1HB LYS 119 -5.316 14.126 4.921 959 HG2 LYS 119 2HG LYS 119 -7.589 13.385 5.124 960 HG3 LYS 119 1HG LYS 119 -7.827 14.320 6.601 961 HD2 LYS 119 2HD LYS 119 -6.964 15.789 4.146 962 HD3 LYS 119 1HD LYS 119 -8.639 15.246 4.235 963 HE2 LYS 119 2HE LYS 119 -7.622 16.514 6.701 964 HE3 LYS 119 1HE LYS 119 -7.735 17.592 5.309 965 HZ1 LYS 119 3HZ LYS 119 -9.801 16.663 6.938 966 HZ2 LYS 119 1HZ LYS 119 -10.034 15.990 5.398 967 HZ3 LYS 119 2HZ LYS 119 -9.913 17.676 5.578 968 H PHE 120 H PHE 120 -2.923 12.814 6.438 969 HA PHE 120 HA PHE 120 -3.087 10.980 4.355 970 HB2 PHE 120 2HB PHE 120 -0.878 11.242 4.436 971 HB3 PHE 120 1HB PHE 120 -1.089 12.160 5.919 972 HD1 PHE 120 1HD PHE 120 -0.691 8.663 4.633 973 HD2 PHE 120 2HD PHE 120 -0.260 11.349 7.964 974 HE1 PHE 120 1HE PHE 120 0.512 6.919 5.903 975 HE2 PHE 120 2HE PHE 120 0.930 9.587 9.231 976 HZ PHE 120 HZ PHE 120 1.318 7.368 8.199 977 H VAL 121 H VAL 121 -3.172 10.366 7.833 978 HA VAL 121 HA VAL 121 -2.853 7.564 7.659 979 HB VAL 121 HB VAL 121 -3.644 7.496 9.939 980 HG11 VAL 121 1HG1 VAL 121 -1.890 9.753 9.072 981 HG12 VAL 121 2HG1 VAL 121 -1.502 8.348 10.066 982 HG13 VAL 121 3HG1 VAL 121 -2.386 9.706 10.763 983 HG21 VAL 121 3HG2 VAL 121 -5.594 8.745 10.093 984 HG22 VAL 121 1HG2 VAL 121 -4.943 10.072 9.131 985 HG23 VAL 121 2HG2 VAL 121 -4.450 9.878 10.813 986 H SER 122 H SER 122 -5.742 9.628 7.637 987 HA SER 122 HA SER 122 -7.509 7.326 7.440 988 HB2 SER 122 2HB SER 122 -9.182 8.759 7.986 989 HB3 SER 122 1HB SER 122 -7.849 9.774 8.528 990 HG SER 122 HG SER 122 -8.113 10.127 5.924 991 H GLU 123 H GLU 123 -6.069 9.691 5.299 992 HA GLU 123 HA GLU 123 -7.850 9.389 3.117 993 HB2 GLU 123 2HB GLU 123 -5.216 10.598 3.590 994 HB3 GLU 123 1HB GLU 123 -5.448 10.003 1.945 995 HG2 GLU 123 2HG GLU 123 -7.305 11.393 1.567 996 HG3 GLU 123 1HG GLU 123 -7.588 11.640 3.290 997 H ILE 124 H ILE 124 -5.151 7.459 4.234 998 HA ILE 124 HA ILE 124 -4.570 6.073 1.873 999 HB ILE 124 HB ILE 124 -3.571 6.046 4.393 1000 HG12 ILE 124 2HG1 ILE 124 -3.259 4.319 1.974 1001 HG13 ILE 124 1HG1 ILE 124 -2.110 5.427 2.722 1002 HG21 ILE 124 1HG2 ILE 124 -3.896 3.865 5.383 1003 HG22 ILE 124 2HG2 ILE 124 -4.882 3.339 4.020 1004 HG23 ILE 124 3HG2 ILE 124 -5.484 4.576 5.120 1005 HD11 ILE 124 3HD1 ILE 124 -2.821 2.616 3.540 1006 HD12 ILE 124 1HD1 ILE 124 -2.120 3.740 4.704 1007 HD13 ILE 124 2HD1 ILE 124 -1.229 3.311 3.245 1008 H GLN 125 H GLN 125 -7.020 5.418 4.371 1009 HA GLN 125 HA GLN 125 -7.895 2.921 3.618 1010 HB2 GLN 125 2HB GLN 125 -9.454 5.314 4.602 1011 HB3 GLN 125 1HB GLN 125 -10.189 3.733 4.351 1012 HG2 GLN 125 2HG GLN 125 -9.544 3.854 6.652 1013 HG3 GLN 125 1HG GLN 125 -8.449 2.754 5.828 1014 HE21 GLN 125 1HE2 GLN 125 -6.871 3.255 7.618 1015 HE22 GLN 125 2HE2 GLN 125 -5.967 4.690 7.535 1016 H HIS 126 H HIS 126 -8.399 5.982 1.996 1017 HA HIS 126 HA HIS 126 -10.453 5.096 0.228 1018 HB2 HIS 126 2HB HIS 126 -9.591 7.518 0.866 1019 HB3 HIS 126 1HB HIS 126 -8.605 7.267 -0.570 1020 HD1 HIS 126 1HD HIS 126 -10.388 5.867 -2.489 1021 HD2 HIS 126 2HD HIS 126 -11.833 8.879 0.004 1022 HE1 HIS 126 1HE HIS 126 -12.504 6.738 -3.573 1023 HE2 HIS 126 2HE HIS 126 -13.397 8.574 -2.064 1024 H ASP 127 H ASP 127 -7.083 4.572 0.344 1025 HA ASP 127 HA ASP 127 -7.115 3.603 -2.452 1026 HB2 ASP 127 2HB ASP 127 -4.474 4.085 -1.278 1027 HB3 ASP 127 1HB ASP 127 -5.118 4.568 -2.847 1028 H LEU 128 H LEU 128 -7.749 2.308 0.229 1029 HA LEU 128 HA LEU 128 -5.635 0.373 0.613 1030 HB2 LEU 128 2HB LEU 128 -6.901 1.012 2.549 1031 HB3 LEU 128 1HB LEU 128 -8.424 0.623 1.751 1032 HG LEU 128 HG LEU 128 -7.789 -1.745 1.641 1033 HD11 LEU 128 1HD1 LEU 128 -5.199 -0.618 2.609 1034 HD12 LEU 128 2HD1 LEU 128 -5.497 -1.928 1.466 1035 HD13 LEU 128 3HD1 LEU 128 -5.663 -2.215 3.197 1036 HD21 LEU 128 3HD2 LEU 128 -8.871 -0.722 3.716 1037 HD22 LEU 128 1HD2 LEU 128 -7.267 -0.735 4.448 1038 HD23 LEU 128 2HD2 LEU 128 -8.032 -2.252 3.971 1039 H THR 129 H THR 129 -5.325 -1.249 -0.767 1040 HA THR 129 HA THR 129 -7.636 -2.351 -2.228 1041 HB THR 129 HB THR 129 -4.667 -2.627 -2.734 1042 HG1 THR 129 1HG THR 129 -4.951 -1.033 -4.072 1043 HG21 THR 129 3HG2 THR 129 -7.059 -4.017 -3.801 1044 HG22 THR 129 1HG2 THR 129 -5.385 -4.564 -3.707 1045 HG23 THR 129 2HG2 THR 129 -5.884 -3.472 -4.999 1046 H TYR 130 H TYR 130 -4.620 -3.525 -0.683 1047 HA TYR 130 HA TYR 130 -6.177 -5.813 0.346 1048 HB2 TYR 130 2HB TYR 130 -4.842 -6.485 -1.663 1049 HB3 TYR 130 1HB TYR 130 -3.380 -6.023 -0.790 1050 HD1 TYR 130 1HD TYR 130 -2.739 -7.216 1.305 1051 HD2 TYR 130 2HD TYR 130 -6.026 -8.512 -1.138 1052 HE1 TYR 130 1HE TYR 130 -2.724 -9.414 2.452 1053 HE2 TYR 130 2HE TYR 130 -6.009 -10.711 0.008 1054 HH TYR 130 HH TYR 130 -3.446 -11.702 2.049 1055 H ASN 131 H ASN 131 -6.040 -5.906 2.479 1056 HA ASN 131 HA ASN 131 -3.970 -4.403 3.877 1057 HB2 ASN 131 2HB ASN 131 -6.069 -4.075 4.858 1058 HB3 ASN 131 1HB ASN 131 -6.517 -5.771 4.694 1059 HD21 ASN 131 1HD2 ASN 131 -5.722 -3.589 7.027 1060 HD22 ASN 131 2HD2 ASN 131 -4.972 -4.619 8.149 1061 H LEU 132 H LEU 132 -2.070 -5.370 4.192 1062 HA LEU 132 HA LEU 132 -1.880 -8.268 4.370 1063 HB2 LEU 132 2HB LEU 132 -0.240 -6.757 3.126 1064 HB3 LEU 132 1HB LEU 132 0.354 -6.267 4.711 1065 HG LEU 132 HG LEU 132 0.093 -9.194 4.272 1066 HD11 LEU 132 1HD1 LEU 132 1.057 -8.170 2.116 1067 HD12 LEU 132 2HD1 LEU 132 2.028 -9.408 2.909 1068 HD13 LEU 132 3HD1 LEU 132 2.446 -7.705 3.097 1069 HD21 LEU 132 3HD2 LEU 132 2.072 -9.230 5.644 1070 HD22 LEU 132 1HD2 LEU 132 0.990 -8.026 6.344 1071 HD23 LEU 132 2HD2 LEU 132 2.366 -7.513 5.367 1072 H ARG 133 H ARG 133 -2.195 -9.264 6.252 1073 HA ARG 133 HA ARG 133 -1.585 -7.821 8.748 1074 HB2 ARG 133 2HB ARG 133 -3.344 -8.878 9.710 1075 HB3 ARG 133 1HB ARG 133 -3.859 -9.159 8.049 1076 HG2 ARG 133 2HG ARG 133 -2.578 -11.324 8.090 1077 HG3 ARG 133 1HG ARG 133 -2.281 -11.053 9.807 1078 HD2 ARG 133 2HD ARG 133 -4.258 -12.516 9.389 1079 HD3 ARG 133 1HD ARG 133 -4.650 -11.048 10.277 1080 HE ARG 133 HE ARG 133 -6.035 -10.477 8.521 1081 HH11 ARG 133 1HH2 ARG 133 -3.543 -12.622 7.442 1082 HH12 ARG 133 2HH2 ARG 133 -4.138 -12.721 5.819 1083 HH21 ARG 133 1HH1 ARG 133 -6.821 -10.600 6.395 1084 HH22 ARG 133 2HH1 ARG 133 -5.995 -11.575 5.226 1085 H GLU 134 H GLU 134 -0.426 -8.888 10.425 1086 HA GLU 134 HA GLU 134 1.726 -10.540 9.434 1087 HB2 GLU 134 2HB GLU 134 2.711 -10.252 11.597 1088 HB3 GLU 134 1HB GLU 134 1.997 -8.703 11.150 1089 HG2 GLU 134 2HG GLU 134 1.163 -8.919 13.295 1090 HG3 GLU 134 1HG GLU 134 -0.124 -9.708 12.387 1091 H GLY 135 H GLY 135 2.287 -12.609 10.177 1092 HA2 GLY 135 2HA GLY 135 1.925 -14.765 10.911 1093 HA3 GLY 135 1HA GLY 135 0.658 -14.131 11.957 Start of MODEL 11 1 H1 MET 1 H MET 1 2.117 12.307 -21.784 2 HA MET 1 HA MET 1 2.791 11.692 -19.217 3 HB2 MET 1 2HB MET 1 2.460 14.000 -20.147 4 HB3 MET 1 1HB MET 1 0.725 13.788 -19.913 5 HG2 MET 1 2HG MET 1 0.873 14.053 -17.660 6 HG3 MET 1 1HG MET 1 2.358 13.109 -17.553 7 HE1 MET 1 3HE MET 1 3.068 15.350 -15.589 8 HE2 MET 1 1HE MET 1 1.369 15.503 -16.061 9 HE3 MET 1 2HE MET 1 2.434 16.905 -16.124 10 H ASN 2 H ASN 2 1.942 9.896 -18.267 11 HA ASN 2 HA ASN 2 -0.947 9.507 -18.170 12 HB2 ASN 2 2HB ASN 2 0.404 7.536 -18.531 13 HB3 ASN 2 1HB ASN 2 1.363 7.878 -17.092 14 HD21 ASN 2 1HD2 ASN 2 0.449 7.351 -15.016 15 HD22 ASN 2 2HD2 ASN 2 -1.016 6.506 -14.859 16 H LYS 3 H LYS 3 -2.071 9.169 -16.153 17 HA LYS 3 HA LYS 3 -1.392 11.171 -14.189 18 HB2 LYS 3 2HB LYS 3 -3.607 9.107 -14.187 19 HB3 LYS 3 1HB LYS 3 -3.487 10.500 -13.111 20 HG2 LYS 3 2HG LYS 3 -3.479 11.977 -15.155 21 HG3 LYS 3 1HG LYS 3 -3.828 10.544 -16.122 22 HD2 LYS 3 2HD LYS 3 -5.874 10.149 -14.780 23 HD3 LYS 3 1HD LYS 3 -5.536 11.612 -13.854 24 HE2 LYS 3 2HE LYS 3 -7.184 11.830 -15.825 25 HE3 LYS 3 1HE LYS 3 -5.883 13.017 -15.733 26 HZ1 LYS 3 3HZ LYS 3 -4.657 11.873 -17.370 27 HZ2 LYS 3 1HZ LYS 3 -6.242 11.971 -17.966 28 HZ3 LYS 3 2HZ LYS 3 -5.673 10.513 -17.303 29 H GLU 4 H GLU 4 0.125 10.785 -12.707 30 HA GLU 4 HA GLU 4 1.079 8.240 -11.976 31 HB2 GLU 4 2HB GLU 4 1.242 10.831 -10.419 32 HB3 GLU 4 1HB GLU 4 2.255 9.408 -10.172 33 HG2 GLU 4 2HG GLU 4 2.669 9.740 -12.800 34 HG3 GLU 4 1HG GLU 4 2.301 11.412 -12.379 35 H LEU 5 H LEU 5 0.738 6.966 -10.157 36 HA LEU 5 HA LEU 5 -1.894 6.756 -9.218 37 HB2 LEU 5 2HB LEU 5 0.470 5.246 -9.027 38 HB3 LEU 5 1HB LEU 5 0.008 5.600 -7.366 39 HG LEU 5 HG LEU 5 -1.129 3.615 -7.811 40 HD11 LEU 5 1HD1 LEU 5 -2.603 5.807 -7.310 41 HD12 LEU 5 2HD1 LEU 5 -3.272 4.184 -7.375 42 HD13 LEU 5 3HD1 LEU 5 -3.389 5.243 -8.780 43 HD21 LEU 5 3HD2 LEU 5 -0.916 3.098 -10.047 44 HD22 LEU 5 1HD2 LEU 5 -1.323 4.735 -10.566 45 HD23 LEU 5 2HD2 LEU 5 -2.599 3.628 -10.057 46 H LEU 6 H LEU 6 0.690 8.789 -8.165 47 HA LEU 6 HA LEU 6 0.176 8.984 -5.472 48 HB2 LEU 6 2HB LEU 6 1.014 11.283 -5.502 49 HB3 LEU 6 1HB LEU 6 2.053 10.183 -6.431 50 HG LEU 6 HG LEU 6 0.387 10.948 -8.406 51 HD11 LEU 6 1HD1 LEU 6 -0.985 12.463 -7.193 52 HD12 LEU 6 2HD1 LEU 6 0.136 13.484 -8.092 53 HD13 LEU 6 3HD1 LEU 6 0.399 13.187 -6.374 54 HD21 LEU 6 3HD2 LEU 6 2.727 11.168 -8.704 55 HD22 LEU 6 1HD2 LEU 6 2.882 12.275 -7.339 56 HD23 LEU 6 2HD2 LEU 6 2.124 12.819 -8.836 57 H GLN 7 H GLN 7 -2.307 9.035 -7.354 58 HA GLN 7 HA GLN 7 -3.618 11.476 -6.875 59 HB2 GLN 7 2HB GLN 7 -4.382 9.595 -8.432 60 HB3 GLN 7 1HB GLN 7 -4.993 8.786 -6.989 61 HG2 GLN 7 2HG GLN 7 -5.944 11.364 -6.687 62 HG3 GLN 7 1HG GLN 7 -6.079 11.100 -8.427 63 HE21 GLN 7 1HE2 GLN 7 -6.710 8.371 -8.557 64 HE22 GLN 7 2HE2 GLN 7 -8.192 8.092 -7.777 65 H LEU 8 H LEU 8 -2.695 8.854 -4.853 66 HA LEU 8 HA LEU 8 -4.576 8.855 -2.837 67 HB2 LEU 8 2HB LEU 8 -1.730 9.038 -1.971 68 HB3 LEU 8 1HB LEU 8 -2.988 7.912 -1.473 69 HG LEU 8 HG LEU 8 -1.511 7.887 -4.122 70 HD11 LEU 8 1HD1 LEU 8 -1.010 5.507 -3.174 71 HD12 LEU 8 2HD1 LEU 8 -1.448 6.215 -1.620 72 HD13 LEU 8 3HD1 LEU 8 -0.097 6.877 -2.541 73 HD21 LEU 8 3HD2 LEU 8 -4.086 6.764 -3.273 74 HD22 LEU 8 1HD2 LEU 8 -2.974 5.547 -3.896 75 HD23 LEU 8 2HD2 LEU 8 -3.417 6.930 -4.895 76 HA PRO 9 HA PRO 9 -5.164 13.154 -1.857 77 HB2 PRO 9 2HB PRO 9 -5.537 11.948 0.850 78 HB3 PRO 9 1HB PRO 9 -6.504 13.164 0.000 79 HG2 PRO 9 2HG PRO 9 -7.263 10.617 0.114 80 HG3 PRO 9 1HG PRO 9 -7.546 11.610 -1.326 81 HD2 PRO 9 2HD PRO 9 -5.624 9.387 -0.941 82 HD3 PRO 9 1HD PRO 9 -6.328 10.032 -2.439 83 H LEU 10 H LEU 10 -2.581 11.328 -0.260 84 HA LEU 10 HA LEU 10 -1.904 13.424 1.537 85 HB2 LEU 10 2HB LEU 10 0.413 12.391 1.459 86 HB3 LEU 10 1HB LEU 10 -0.919 11.499 2.212 87 HG LEU 10 HG LEU 10 -1.012 10.832 -0.518 88 HD11 LEU 10 1HD1 LEU 10 1.322 11.916 -0.461 89 HD12 LEU 10 2HD1 LEU 10 1.191 10.288 -1.156 90 HD13 LEU 10 3HD1 LEU 10 1.812 10.493 0.480 91 HD21 LEU 10 3HD2 LEU 10 -1.569 9.160 0.989 92 HD22 LEU 10 1HD2 LEU 10 -0.204 9.499 2.055 93 HD23 LEU 10 2HD2 LEU 10 0.055 8.644 0.530 94 H PHE 11 H PHE 11 -0.547 12.496 -1.573 95 HA PHE 11 HA PHE 11 0.779 15.095 -1.550 96 HB2 PHE 11 2HB PHE 11 2.175 14.085 -3.409 97 HB3 PHE 11 1HB PHE 11 2.530 13.666 -1.748 98 HD1 PHE 11 1HD PHE 11 -0.486 12.289 -3.197 99 HD2 PHE 11 2HD PHE 11 3.704 11.645 -2.600 100 HE1 PHE 11 1HE PHE 11 -0.788 9.885 -3.693 101 HE2 PHE 11 2HE PHE 11 3.414 9.233 -3.088 102 HZ PHE 11 HZ PHE 11 1.163 8.347 -3.627 103 H GLU 12 H GLU 12 -1.859 13.631 -2.839 104 HA GLU 12 HA GLU 12 -1.736 14.610 -5.537 105 HB2 GLU 12 2HB GLU 12 -3.131 12.692 -4.994 106 HB3 GLU 12 1HB GLU 12 -4.064 13.667 -3.859 107 HG2 GLU 12 2HG GLU 12 -5.102 13.362 -6.161 108 HG3 GLU 12 1HG GLU 12 -4.954 15.017 -5.581 109 H SER 13 H SER 13 -3.193 15.739 -2.508 110 HA SER 13 HA SER 13 -4.014 18.220 -3.878 111 HB2 SER 13 2HB SER 13 -5.014 18.131 -1.221 112 HB3 SER 13 1HB SER 13 -5.913 18.002 -2.730 113 HG SER 13 HG SER 13 -4.746 15.699 -2.422 114 H ALA 14 H ALA 14 -1.288 17.332 -2.545 115 HA ALA 14 HA ALA 14 -1.014 19.517 -0.618 116 HB1 ALA 14 1HB ALA 14 0.033 16.966 -0.690 117 HB2 ALA 14 2HB ALA 14 0.661 18.292 0.286 118 HB3 ALA 14 3HB ALA 14 1.373 17.946 -1.296 119 H SER 15 H SER 15 0.531 21.169 -0.903 120 HA SER 15 HA SER 15 0.850 22.118 -3.542 121 HB2 SER 15 2HB SER 15 1.905 22.842 -0.862 122 HB3 SER 15 1HB SER 15 2.885 23.347 -2.235 123 HG SER 15 HG SER 15 0.270 24.059 -1.515 124 H ARG 16 H ARG 16 2.660 21.970 -4.947 125 HA ARG 16 HA ARG 16 3.940 19.553 -5.111 126 HB2 ARG 16 2HB ARG 16 4.625 22.291 -6.114 127 HB3 ARG 16 1HB ARG 16 5.861 21.037 -6.227 128 HG2 ARG 16 2HG ARG 16 3.095 20.342 -7.114 129 HG3 ARG 16 1HG ARG 16 4.058 21.382 -8.164 130 HD2 ARG 16 2HD ARG 16 4.788 18.621 -7.162 131 HD3 ARG 16 1HD ARG 16 4.459 19.096 -8.825 132 HE ARG 16 HE ARG 16 6.899 19.659 -7.305 133 HH11 ARG 16 1HH2 ARG 16 4.968 20.094 -10.144 134 HH12 ARG 16 2HH2 ARG 16 6.285 20.651 -11.120 135 HH21 ARG 16 1HH1 ARG 16 8.628 20.387 -8.582 136 HH22 ARG 16 2HH1 ARG 16 8.355 20.817 -10.237 137 H GLY 17 H GLY 17 4.435 22.098 -2.912 138 HA2 GLY 17 2HA GLY 17 7.103 21.711 -2.121 139 HA3 GLY 17 1HA GLY 17 5.819 22.359 -1.101 140 H CYS 18 H CYS 18 4.062 20.151 -1.011 141 HA CYS 18 HA CYS 18 5.397 18.537 0.956 142 HB2 CYS 18 2HB CYS 18 2.710 19.035 0.140 143 HB3 CYS 18 1HB CYS 18 2.981 17.293 0.043 144 HG CYS 18 HG CYS 18 2.447 17.583 2.506 145 H LEU 19 H LEU 19 4.322 18.020 -2.401 146 HA LEU 19 HA LEU 19 5.003 15.304 -2.503 147 HB2 LEU 19 2HB LEU 19 3.745 16.400 -4.315 148 HB3 LEU 19 1HB LEU 19 5.177 17.337 -4.744 149 HG LEU 19 HG LEU 19 6.371 15.385 -5.424 150 HD11 LEU 19 1HD1 LEU 19 4.207 13.927 -3.909 151 HD12 LEU 19 2HD1 LEU 19 5.959 13.738 -3.813 152 HD13 LEU 19 3HD1 LEU 19 5.081 13.107 -5.205 153 HD21 LEU 19 3HD2 LEU 19 4.808 16.076 -7.120 154 HD22 LEU 19 1HD2 LEU 19 3.474 15.263 -6.301 155 HD23 LEU 19 2HD2 LEU 19 4.755 14.314 -7.057 156 H ARG 20 H ARG 20 6.920 18.212 -2.660 157 HA ARG 20 HA ARG 20 9.362 16.949 -3.481 158 HB2 ARG 20 2HB ARG 20 9.458 19.243 -3.826 159 HB3 ARG 20 1HB ARG 20 8.611 19.616 -2.333 160 HG2 ARG 20 2HG ARG 20 11.364 18.392 -2.331 161 HG3 ARG 20 1HG ARG 20 11.099 20.133 -2.394 162 HD2 ARG 20 2HD ARG 20 9.418 19.204 -0.342 163 HD3 ARG 20 1HD ARG 20 10.948 18.360 -0.116 164 HE ARG 20 HE ARG 20 11.666 20.978 -0.544 165 HH11 ARG 20 1HH2 ARG 20 9.564 19.278 1.616 166 HH12 ARG 20 2HH2 ARG 20 9.770 20.400 2.919 167 HH21 ARG 20 1HH1 ARG 20 11.944 22.451 1.160 168 HH22 ARG 20 2HH1 ARG 20 11.119 22.196 2.661 169 H SER 21 H SER 21 7.695 17.610 -0.492 170 HA SER 21 HA SER 21 9.724 16.934 1.382 171 HB2 SER 21 2HB SER 21 6.763 16.563 1.734 172 HB3 SER 21 1HB SER 21 7.967 16.975 2.956 173 HG SER 21 HG SER 21 6.780 18.794 2.255 174 H LEU 22 H LEU 22 7.019 15.010 0.071 175 HA LEU 22 HA LEU 22 7.836 12.565 1.217 176 HB2 LEU 22 2HB LEU 22 5.838 13.452 -0.638 177 HB3 LEU 22 1HB LEU 22 6.657 12.039 -1.307 178 HG LEU 22 HG LEU 22 6.336 10.902 0.914 179 HD11 LEU 22 1HD1 LEU 22 5.237 11.900 2.619 180 HD12 LEU 22 2HD1 LEU 22 4.123 12.750 1.557 181 HD13 LEU 22 3HD1 LEU 22 5.742 13.394 1.835 182 HD21 LEU 22 3HD2 LEU 22 3.805 11.844 -0.431 183 HD22 LEU 22 1HD2 LEU 22 4.026 10.347 0.472 184 HD23 LEU 22 2HD2 LEU 22 4.856 10.571 -1.068 185 H SER 23 H SER 23 8.521 14.098 -1.910 186 HA SER 23 HA SER 23 10.001 12.003 -2.969 187 HB2 SER 23 2HB SER 23 9.662 13.331 -4.694 188 HB3 SER 23 1HB SER 23 9.543 14.774 -3.677 189 HG SER 23 HG SER 23 11.907 13.439 -4.527 190 H LEU 24 H LEU 24 10.894 14.488 -0.716 191 HA LEU 24 HA LEU 24 13.684 14.297 -0.924 192 HB2 LEU 24 2HB LEU 24 11.773 15.376 0.947 193 HB3 LEU 24 1HB LEU 24 13.097 14.577 1.798 194 HG LEU 24 HG LEU 24 13.576 16.965 1.296 195 HD11 LEU 24 1HD1 LEU 24 15.208 14.679 0.774 196 HD12 LEU 24 2HD1 LEU 24 15.714 16.274 1.328 197 HD13 LEU 24 3HD1 LEU 24 15.619 15.931 -0.399 198 HD21 LEU 24 3HD2 LEU 24 13.012 17.791 -0.718 199 HD22 LEU 24 1HD2 LEU 24 12.606 16.175 -1.292 200 HD23 LEU 24 2HD2 LEU 24 14.254 16.775 -1.449 201 H ILE 25 H ILE 25 11.249 12.270 0.606 202 HA ILE 25 HA ILE 25 13.400 10.354 1.295 203 HB ILE 25 HB ILE 25 12.022 11.334 3.224 204 HG12 ILE 25 2HG1 ILE 25 11.620 8.562 3.680 205 HG13 ILE 25 1HG1 ILE 25 12.992 8.684 2.619 206 HG21 ILE 25 1HG2 ILE 25 10.086 9.202 2.763 207 HG22 ILE 25 2HG2 ILE 25 9.906 10.546 1.625 208 HG23 ILE 25 3HG2 ILE 25 9.804 10.832 3.369 209 HD11 ILE 25 3HD1 ILE 25 13.921 8.837 4.803 210 HD12 ILE 25 1HD1 ILE 25 12.629 9.910 5.352 211 HD13 ILE 25 2HD1 ILE 25 13.861 10.506 4.233 212 H ILE 26 H ILE 26 11.741 10.644 -1.249 213 HA ILE 26 HA ILE 26 9.925 8.528 -1.426 214 HB ILE 26 HB ILE 26 11.254 10.422 -3.176 215 HG12 ILE 26 2HG1 ILE 26 8.790 10.264 -2.502 216 HG13 ILE 26 1HG1 ILE 26 9.117 10.517 -4.219 217 HG21 ILE 26 1HG2 ILE 26 10.770 7.670 -4.175 218 HG22 ILE 26 2HG2 ILE 26 12.267 8.579 -4.269 219 HG23 ILE 26 3HG2 ILE 26 10.873 9.051 -5.248 220 HD11 ILE 26 3HD1 ILE 26 7.570 8.495 -3.153 221 HD12 ILE 26 1HD1 ILE 26 9.108 7.714 -3.512 222 HD13 ILE 26 2HD1 ILE 26 8.233 8.561 -4.788 223 H LYS 27 H LYS 27 10.183 6.375 -1.674 224 HA LYS 27 HA LYS 27 12.912 5.407 -2.327 225 HB2 LYS 27 2HB LYS 27 10.938 3.947 -0.556 226 HB3 LYS 27 1HB LYS 27 12.612 3.513 -0.877 227 HG2 LYS 27 2HG LYS 27 12.324 6.255 0.106 228 HG3 LYS 27 1HG LYS 27 11.733 5.051 1.252 229 HD2 LYS 27 2HD LYS 27 13.822 3.958 1.367 230 HD3 LYS 27 1HD LYS 27 14.396 4.712 -0.122 231 HE2 LYS 27 2HE LYS 27 14.279 6.939 1.062 232 HE3 LYS 27 1HE LYS 27 13.946 6.058 2.553 233 HZ1 LYS 27 3HZ LYS 27 16.357 6.659 2.012 234 HZ2 LYS 27 1HZ LYS 27 16.288 5.391 0.888 235 HZ3 LYS 27 2HZ LYS 27 16.029 5.077 2.537 236 H THR 28 H THR 28 13.047 3.609 -3.728 237 HA THR 28 HA THR 28 10.506 2.960 -5.098 238 HB THR 28 HB THR 28 11.556 4.116 -6.774 239 HG1 THR 28 1HG THR 28 12.506 2.630 -8.142 240 HG21 THR 28 3HG2 THR 28 14.228 3.676 -6.922 241 HG22 THR 28 1HG2 THR 28 13.976 3.478 -5.188 242 HG23 THR 28 2HG2 THR 28 13.511 4.984 -5.980 243 H SER 29 H SER 29 10.003 0.885 -5.370 244 HA SER 29 HA SER 29 12.079 -1.166 -4.896 245 HB2 SER 29 2HB SER 29 9.911 -2.455 -3.995 246 HB3 SER 29 1HB SER 29 10.923 -1.477 -2.933 247 HG SER 29 HG SER 29 8.916 -0.706 -2.615 248 H PHE 30 H PHE 30 12.109 -2.797 -6.390 249 HA PHE 30 HA PHE 30 9.879 -2.863 -8.336 250 HB2 PHE 30 2HB PHE 30 11.751 -3.637 -9.951 251 HB3 PHE 30 1HB PHE 30 11.634 -1.921 -9.557 252 HD1 PHE 30 2HD PHE 30 13.201 -0.887 -7.938 253 HD2 PHE 30 1HD PHE 30 13.592 -4.986 -9.161 254 HE1 PHE 30 2HE PHE 30 15.508 -0.939 -7.026 255 HE2 PHE 30 1HE PHE 30 15.898 -5.038 -8.250 256 HZ PHE 30 HZ PHE 30 16.856 -3.015 -7.182 257 H CYS 31 H CYS 31 9.283 -4.848 -9.199 258 HA CYS 31 HA CYS 31 10.542 -7.248 -8.027 259 HB2 CYS 31 2HB CYS 31 7.555 -6.953 -8.372 260 HB3 CYS 31 1HB CYS 31 8.431 -8.253 -7.559 261 HG CYS 31 HG CYS 31 8.970 -5.533 -6.284 262 H ALA 32 H ALA 32 10.353 -9.144 -9.306 263 HA ALA 32 HA ALA 32 9.681 -8.602 -12.133 264 HB1 ALA 32 1HB ALA 32 11.464 -10.754 -12.053 265 HB2 ALA 32 2HB ALA 32 12.080 -9.609 -10.865 266 HB3 ALA 32 3HB ALA 32 11.832 -9.098 -12.535 267 HA PRO 33 HA PRO 33 7.010 -12.100 -12.390 268 HB2 PRO 33 2HB PRO 33 8.799 -13.502 -14.303 269 HB3 PRO 33 1HB PRO 33 7.116 -12.985 -14.508 270 HG2 PRO 33 2HG PRO 33 9.145 -11.733 -15.717 271 HG3 PRO 33 1HG PRO 33 7.701 -10.874 -15.156 272 HD2 PRO 33 2HD PRO 33 10.441 -10.930 -13.965 273 HD3 PRO 33 1HD PRO 33 9.242 -9.617 -13.985 274 H GLY 34 H GLY 34 6.819 -13.623 -10.839 275 HA2 GLY 34 2HA GLY 34 7.285 -15.463 -9.524 276 HA3 GLY 34 1HA GLY 34 8.619 -15.832 -10.615 277 H GLU 35 H GLU 35 8.937 -12.662 -9.680 278 HA GLU 35 HA GLU 35 11.213 -13.242 -8.041 279 HB2 GLU 35 2HB GLU 35 10.712 -11.228 -9.660 280 HB3 GLU 35 1HB GLU 35 10.073 -10.522 -8.190 281 HG2 GLU 35 2HG GLU 35 12.716 -11.810 -7.910 282 HG3 GLU 35 1HG GLU 35 12.650 -10.370 -8.903 283 H PHE 36 H PHE 36 11.348 -13.407 -5.906 284 HA PHE 36 HA PHE 36 8.935 -13.133 -4.308 285 HB2 PHE 36 2HB PHE 36 11.662 -14.290 -3.883 286 HB3 PHE 36 1HB PHE 36 10.665 -13.896 -2.483 287 HD1 PHE 36 2HD PHE 36 10.906 -15.963 -5.538 288 HD2 PHE 36 1HD PHE 36 8.641 -15.128 -1.984 289 HE1 PHE 36 2HE PHE 36 9.609 -18.050 -5.873 290 HE2 PHE 36 1HE PHE 36 7.345 -17.215 -2.320 291 HZ PHE 36 HZ PHE 36 7.828 -18.676 -4.264 292 H LEU 37 H LEU 37 8.391 -11.275 -3.370 293 HA LEU 37 HA LEU 37 10.446 -9.260 -2.808 294 HB2 LEU 37 2HB LEU 37 8.014 -8.927 -3.867 295 HB3 LEU 37 1HB LEU 37 7.579 -8.803 -2.163 296 HG LEU 37 HG LEU 37 9.331 -7.063 -1.865 297 HD11 LEU 37 1HD1 LEU 37 9.811 -7.765 -4.722 298 HD12 LEU 37 2HD1 LEU 37 10.958 -7.256 -3.483 299 HD13 LEU 37 3HD1 LEU 37 9.940 -6.062 -4.284 300 HD21 LEU 37 3HD2 LEU 37 7.447 -5.838 -2.177 301 HD22 LEU 37 1HD2 LEU 37 6.913 -6.855 -3.517 302 HD23 LEU 37 2HD2 LEU 37 8.061 -5.545 -3.805 303 H ILE 38 H ILE 38 7.782 -10.947 -1.108 304 HA ILE 38 HA ILE 38 9.232 -10.466 1.396 305 HB ILE 38 HB ILE 38 6.703 -9.564 0.822 306 HG12 ILE 38 2HG1 ILE 38 6.694 -9.846 3.566 307 HG13 ILE 38 1HG1 ILE 38 8.415 -9.859 3.194 308 HG21 ILE 38 1HG2 ILE 38 6.501 -11.973 2.599 309 HG22 ILE 38 2HG2 ILE 38 5.951 -11.930 0.937 310 HG23 ILE 38 3HG2 ILE 38 5.181 -10.905 2.129 311 HD11 ILE 38 3HD1 ILE 38 6.417 -7.680 2.795 312 HD12 ILE 38 1HD1 ILE 38 7.692 -7.848 1.579 313 HD13 ILE 38 2HD1 ILE 38 8.112 -7.576 3.275 314 H ARG 39 H ARG 39 9.371 -12.096 2.924 315 HA ARG 39 HA ARG 39 8.410 -14.749 2.057 316 HB2 ARG 39 2HB ARG 39 10.787 -15.174 3.507 317 HB3 ARG 39 1HB ARG 39 10.517 -15.436 1.791 318 HG2 ARG 39 2HG ARG 39 12.442 -13.933 2.209 319 HG3 ARG 39 1HG ARG 39 11.159 -13.152 1.284 320 HD2 ARG 39 2HD ARG 39 11.114 -11.538 2.849 321 HD3 ARG 39 1HD ARG 39 10.486 -12.744 3.969 322 HE ARG 39 HE ARG 39 12.552 -12.740 5.011 323 HH11 ARG 39 1HH2 ARG 39 12.793 -11.488 1.795 324 HH12 ARG 39 2HH2 ARG 39 14.475 -11.097 1.925 325 HH21 ARG 39 1HH1 ARG 39 14.762 -12.230 5.188 326 HH22 ARG 39 2HH1 ARG 39 15.589 -11.517 3.843 327 H GLN 40 H GLN 40 6.863 -15.101 3.475 328 HA GLN 40 HA GLN 40 5.901 -14.450 5.705 329 HB2 GLN 40 2HB GLN 40 5.296 -16.629 5.083 330 HB3 GLN 40 1HB GLN 40 6.948 -17.224 5.227 331 HG2 GLN 40 2HG GLN 40 5.803 -16.055 7.694 332 HG3 GLN 40 1HG GLN 40 5.062 -17.557 7.152 333 HE21 GLN 40 1HE2 GLN 40 7.253 -18.942 6.086 334 HE22 GLN 40 2HE2 GLN 40 8.396 -19.226 7.310 335 H GLY 41 H GLY 41 6.409 -13.674 7.635 336 HA2 GLY 41 2HA GLY 41 7.500 -13.668 9.729 337 HA3 GLY 41 1HA GLY 41 8.821 -14.580 9.015 338 H ASP 42 H ASP 42 7.935 -12.088 6.954 339 HA ASP 42 HA ASP 42 10.394 -10.687 7.424 340 HB2 ASP 42 2HB ASP 42 8.261 -10.643 5.428 341 HB3 ASP 42 1HB ASP 42 8.882 -9.035 5.807 342 H ALA 43 H ALA 43 10.099 -8.128 7.276 343 HA ALA 43 HA ALA 43 8.353 -7.337 9.529 344 HB1 ALA 43 1HB ALA 43 11.233 -6.800 8.970 345 HB2 ALA 43 2HB ALA 43 10.429 -7.118 10.508 346 HB3 ALA 43 3HB ALA 43 10.289 -5.531 9.750 347 H LEU 44 H LEU 44 7.470 -5.235 9.444 348 HA LEU 44 HA LEU 44 7.187 -4.199 6.717 349 HB2 LEU 44 2HB LEU 44 5.237 -4.721 8.367 350 HB3 LEU 44 1HB LEU 44 5.668 -3.169 9.088 351 HG LEU 44 HG LEU 44 5.649 -2.749 6.293 352 HD11 LEU 44 1HD1 LEU 44 4.298 -4.948 6.363 353 HD12 LEU 44 2HD1 LEU 44 3.578 -3.580 5.513 354 HD13 LEU 44 3HD1 LEU 44 3.034 -3.992 7.140 355 HD21 LEU 44 3HD2 LEU 44 5.051 -1.088 7.958 356 HD22 LEU 44 1HD2 LEU 44 3.667 -2.051 8.474 357 HD23 LEU 44 2HD2 LEU 44 3.683 -1.318 6.870 358 H GLN 45 H GLN 45 8.322 -2.493 6.069 359 HA GLN 45 HA GLN 45 9.211 -0.538 8.103 360 HB2 GLN 45 2HB GLN 45 10.983 -2.121 7.008 361 HB3 GLN 45 1HB GLN 45 10.799 -1.058 5.612 362 HG2 GLN 45 2HG GLN 45 12.609 -0.203 6.976 363 HG3 GLN 45 1HG GLN 45 11.241 0.898 7.123 364 HE21 GLN 45 1HE2 GLN 45 12.705 -1.945 8.791 365 HE22 GLN 45 2HE2 GLN 45 12.241 -1.449 10.347 366 H ALA 46 H ALA 46 7.952 -1.135 4.898 367 HA ALA 46 HA ALA 46 7.149 1.671 4.713 368 HB1 ALA 46 1HB ALA 46 8.946 0.281 2.728 369 HB2 ALA 46 2HB ALA 46 9.217 1.817 3.548 370 HB3 ALA 46 3HB ALA 46 7.982 1.689 2.294 371 H ILE 47 H ILE 47 5.745 2.018 2.758 372 HA ILE 47 HA ILE 47 4.063 -0.373 2.282 373 HB ILE 47 HB ILE 47 2.763 1.239 3.465 374 HG12 ILE 47 2HG1 ILE 47 2.103 1.847 0.581 375 HG13 ILE 47 1HG1 ILE 47 1.829 0.246 1.270 376 HG21 ILE 47 1HG2 ILE 47 3.535 3.349 1.444 377 HG22 ILE 47 2HG2 ILE 47 4.421 3.119 2.953 378 HG23 ILE 47 3HG2 ILE 47 2.716 3.572 2.991 379 HD11 ILE 47 3HD1 ILE 47 0.137 2.503 1.471 380 HD12 ILE 47 1HD1 ILE 47 0.830 2.267 3.075 381 HD13 ILE 47 2HD1 ILE 47 -0.048 0.954 2.291 382 H TYR 48 H TYR 48 3.544 -0.905 0.157 383 HA TYR 48 HA TYR 48 4.926 0.729 -1.893 384 HB2 TYR 48 2HB TYR 48 4.269 -2.149 -2.399 385 HB3 TYR 48 1HB TYR 48 5.537 -1.152 -3.085 386 HD1 TYR 48 1HD TYR 48 4.587 -2.121 0.465 387 HD2 TYR 48 2HD TYR 48 7.636 -1.895 -2.558 388 HE1 TYR 48 1HE TYR 48 6.236 -3.041 2.058 389 HE2 TYR 48 2HE TYR 48 9.283 -2.821 -0.957 390 HH TYR 48 HH TYR 48 8.302 -4.023 2.198 391 H PHE 49 H PHE 49 4.069 0.813 -3.974 392 HA PHE 49 HA PHE 49 1.200 0.174 -4.281 393 HB2 PHE 49 2HB PHE 49 2.139 2.774 -4.028 394 HB3 PHE 49 1HB PHE 49 2.112 2.524 -5.774 395 HD1 PHE 49 1HD PHE 49 -0.077 1.551 -6.824 396 HD2 PHE 49 2HD PHE 49 0.160 3.243 -2.870 397 HE1 PHE 49 1HE PHE 49 -2.524 1.910 -6.823 398 HE2 PHE 49 2HE PHE 49 -2.294 3.584 -2.877 399 HZ PHE 49 HZ PHE 49 -3.635 2.920 -4.852 400 H VAL 50 H VAL 50 0.727 -0.659 -6.317 401 HA VAL 50 HA VAL 50 3.035 -1.092 -8.057 402 HB VAL 50 HB VAL 50 0.796 -2.661 -7.146 403 HG11 VAL 50 1HG1 VAL 50 -0.022 -2.051 -9.370 404 HG12 VAL 50 2HG1 VAL 50 0.296 -3.773 -9.242 405 HG13 VAL 50 3HG1 VAL 50 1.426 -2.719 -10.100 406 HG21 VAL 50 3HG2 VAL 50 2.298 -4.500 -7.923 407 HG22 VAL 50 1HG2 VAL 50 3.119 -3.337 -6.880 408 HG23 VAL 50 2HG2 VAL 50 3.367 -3.285 -8.625 409 H CYS 51 H CYS 51 3.168 -0.091 -9.959 410 HA CYS 51 HA CYS 51 0.931 1.609 -10.770 411 HB2 CYS 51 2HB CYS 51 3.814 1.412 -11.650 412 HB3 CYS 51 1HB CYS 51 2.637 2.445 -12.462 413 HG CYS 51 HG CYS 51 3.614 2.842 -9.526 414 H SER 52 H SER 52 2.803 -1.140 -11.919 415 HA SER 52 HA SER 52 0.677 -1.971 -13.665 416 HB2 SER 52 2HB SER 52 2.690 -0.253 -14.746 417 HB3 SER 52 1HB SER 52 2.911 -1.861 -15.427 418 HG SER 52 HG SER 52 1.213 -1.484 -16.587 419 H GLY 53 H GLY 53 0.877 -4.128 -14.226 420 HA2 GLY 53 2HA GLY 53 2.471 -6.015 -14.648 421 HA3 GLY 53 1HA GLY 53 3.268 -5.515 -13.161 422 H SER 54 H SER 54 2.868 -7.721 -12.376 423 HA SER 54 HA SER 54 0.243 -7.873 -11.073 424 HB2 SER 54 2HB SER 54 -0.246 -10.098 -11.837 425 HB3 SER 54 1HB SER 54 0.051 -9.100 -13.257 426 HG SER 54 HG SER 54 2.049 -10.648 -11.969 427 H MET 55 H MET 55 0.230 -9.018 -9.149 428 HA MET 55 HA MET 55 2.478 -10.673 -8.395 429 HB2 MET 55 2HB MET 55 3.048 -9.283 -6.383 430 HB3 MET 55 1HB MET 55 3.511 -8.555 -7.921 431 HG2 MET 55 2HG MET 55 2.302 -6.754 -7.417 432 HG3 MET 55 1HG MET 55 0.844 -7.744 -7.394 433 HE1 MET 55 3HE MET 55 3.773 -6.268 -5.666 434 HE2 MET 55 1HE MET 55 3.226 -5.961 -4.013 435 HE3 MET 55 2HE MET 55 2.455 -5.137 -5.366 436 H GLU 56 H GLU 56 2.226 -11.510 -6.126 437 HA GLU 56 HA GLU 56 -0.369 -11.240 -4.891 438 HB2 GLU 56 2HB GLU 56 -0.855 -13.742 -5.221 439 HB3 GLU 56 1HB GLU 56 -1.141 -12.679 -6.600 440 HG2 GLU 56 2HG GLU 56 0.089 -14.753 -7.221 441 HG3 GLU 56 1HG GLU 56 1.018 -13.294 -7.575 442 H VAL 57 H VAL 57 -0.567 -12.481 -2.918 443 HA VAL 57 HA VAL 57 2.048 -13.099 -1.739 444 HB VAL 57 HB VAL 57 1.153 -12.654 0.336 445 HG11 VAL 57 1HG1 VAL 57 0.937 -10.570 -0.795 446 HG12 VAL 57 2HG1 VAL 57 -0.582 -10.791 0.069 447 HG13 VAL 57 3HG1 VAL 57 -0.501 -11.101 -1.662 448 HG21 VAL 57 3HG2 VAL 57 -1.370 -12.811 0.734 449 HG22 VAL 57 1HG2 VAL 57 -0.534 -14.334 0.431 450 HG23 VAL 57 2HG2 VAL 57 -1.467 -13.572 -0.853 451 H LEU 58 H LEU 58 2.696 -15.134 -1.440 452 HA LEU 58 HA LEU 58 0.773 -17.290 -1.959 453 HB2 LEU 58 2HB LEU 58 3.337 -16.772 -2.940 454 HB3 LEU 58 1HB LEU 58 3.540 -18.123 -1.827 455 HG LEU 58 HG LEU 58 1.736 -17.958 -4.244 456 HD11 LEU 58 1HD1 LEU 58 2.942 -20.162 -4.688 457 HD12 LEU 58 2HD1 LEU 58 4.010 -19.737 -3.349 458 HD13 LEU 58 3HD1 LEU 58 3.937 -18.709 -4.781 459 HD21 LEU 58 3HD2 LEU 58 1.372 -20.481 -3.219 460 HD22 LEU 58 1HD2 LEU 58 0.235 -19.147 -3.007 461 HD23 LEU 58 2HD2 LEU 58 1.422 -19.506 -1.750 462 H LYS 59 H LYS 59 0.051 -18.470 -0.342 463 HA LYS 59 HA LYS 59 1.785 -19.495 1.676 464 HB2 LYS 59 2HB LYS 59 0.582 -17.016 2.258 465 HB3 LYS 59 1HB LYS 59 -0.294 -18.213 3.201 466 HG2 LYS 59 2HG LYS 59 2.676 -17.677 3.212 467 HG3 LYS 59 1HG LYS 59 1.539 -17.496 4.544 468 HD2 LYS 59 2HD LYS 59 2.149 -19.562 5.182 469 HD3 LYS 59 1HD LYS 59 1.196 -20.136 3.825 470 HE2 LYS 59 2HE LYS 59 3.091 -21.049 3.001 471 HE3 LYS 59 1HE LYS 59 3.685 -19.418 2.704 472 HZ1 LYS 59 3HZ LYS 59 4.451 -19.419 5.065 473 HZ2 LYS 59 1HZ LYS 59 5.268 -20.508 4.054 474 HZ3 LYS 59 2HZ LYS 59 4.080 -21.076 5.127 475 H ASP 60 H ASP 60 0.941 -21.290 2.683 476 HA ASP 60 HA ASP 60 -0.410 -23.111 2.981 477 HB2 ASP 60 2HB ASP 60 -2.711 -21.249 2.397 478 HB3 ASP 60 1HB ASP 60 -2.746 -22.744 3.331 479 H ASN 61 H ASN 61 0.706 -22.926 0.472 480 HA ASN 61 HA ASN 61 0.574 -23.963 -1.568 481 HB2 ASN 61 2HB ASN 61 -1.046 -25.434 0.062 482 HB3 ASN 61 1HB ASN 61 -2.156 -24.994 -1.234 483 HD21 ASN 61 1HD2 ASN 61 -1.838 -25.966 -3.305 484 HD22 ASN 61 2HD2 ASN 61 -0.625 -27.112 -3.610 485 H THR 62 H THR 62 -1.801 -21.703 -0.580 486 HA THR 62 HA THR 62 -2.395 -21.156 -3.419 487 HB THR 62 HB THR 62 -4.382 -20.880 -1.178 488 HG1 THR 62 1HG THR 62 -3.877 -22.860 -3.091 489 HG21 THR 62 3HG2 THR 62 -4.678 -20.586 -4.180 490 HG22 THR 62 1HG2 THR 62 -4.629 -19.233 -3.042 491 HG23 THR 62 2HG2 THR 62 -5.964 -20.391 -2.992 492 H VAL 63 H VAL 63 -2.820 -18.981 -3.932 493 HA VAL 63 HA VAL 63 -1.298 -17.149 -2.357 494 HB VAL 63 HB VAL 63 -2.429 -15.549 -4.174 495 HG11 VAL 63 1HG1 VAL 63 -0.303 -17.579 -4.875 496 HG12 VAL 63 2HG1 VAL 63 -0.003 -16.183 -3.843 497 HG13 VAL 63 3HG1 VAL 63 -0.475 -15.952 -5.525 498 HG21 VAL 63 3HG2 VAL 63 -3.276 -16.659 -6.012 499 HG22 VAL 63 1HG2 VAL 63 -3.703 -17.825 -4.760 500 HG23 VAL 63 2HG2 VAL 63 -2.262 -18.078 -5.741 501 H LEU 64 H LEU 64 -2.048 -16.129 -0.614 502 HA LEU 64 HA LEU 64 -4.860 -16.101 -0.023 503 HB2 LEU 64 2HB LEU 64 -2.395 -15.055 1.333 504 HB3 LEU 64 1HB LEU 64 -3.978 -14.491 1.856 505 HG LEU 64 HG LEU 64 -4.576 -17.054 1.891 506 HD11 LEU 64 1HD1 LEU 64 -1.559 -16.993 1.900 507 HD12 LEU 64 2HD1 LEU 64 -2.628 -18.004 0.927 508 HD13 LEU 64 3HD1 LEU 64 -2.457 -18.309 2.656 509 HD21 LEU 64 3HD2 LEU 64 -3.501 -17.152 4.243 510 HD22 LEU 64 1HD2 LEU 64 -4.646 -15.850 3.926 511 HD23 LEU 64 2HD2 LEU 64 -2.914 -15.525 3.895 512 H ALA 65 H ALA 65 -2.773 -14.152 -1.856 513 HA ALA 65 HA ALA 65 -4.935 -12.178 -2.088 514 HB1 ALA 65 1HB ALA 65 -3.818 -10.553 -1.035 515 HB2 ALA 65 2HB ALA 65 -2.549 -10.677 -2.252 516 HB3 ALA 65 3HB ALA 65 -2.443 -11.624 -0.768 517 H ILE 66 H ILE 66 -5.288 -11.580 -4.110 518 HA ILE 66 HA ILE 66 -3.206 -12.097 -6.132 519 HB ILE 66 HB ILE 66 -6.110 -12.932 -6.212 520 HG12 ILE 66 2HG1 ILE 66 -4.719 -15.064 -7.039 521 HG13 ILE 66 1HG1 ILE 66 -3.449 -14.291 -6.091 522 HG21 ILE 66 1HG2 ILE 66 -4.071 -12.835 -8.457 523 HG22 ILE 66 2HG2 ILE 66 -5.535 -11.860 -8.342 524 HG23 ILE 66 3HG2 ILE 66 -5.655 -13.605 -8.560 525 HD11 ILE 66 3HD1 ILE 66 -5.200 -14.101 -4.214 526 HD12 ILE 66 1HD1 ILE 66 -4.570 -15.715 -4.546 527 HD13 ILE 66 2HD1 ILE 66 -6.159 -15.243 -5.153 528 H LEU 67 H LEU 67 -2.732 -9.993 -6.720 529 HA LEU 67 HA LEU 67 -5.027 -8.336 -7.536 530 HB2 LEU 67 2HB LEU 67 -3.224 -6.477 -6.632 531 HB3 LEU 67 1HB LEU 67 -4.634 -7.050 -5.741 532 HG LEU 67 HG LEU 67 -3.216 -8.887 -4.790 533 HD11 LEU 67 1HD1 LEU 67 -1.545 -8.396 -6.827 534 HD12 LEU 67 2HD1 LEU 67 -0.987 -9.115 -5.316 535 HD13 LEU 67 3HD1 LEU 67 -0.774 -7.387 -5.606 536 HD21 LEU 67 3HD2 LEU 67 -1.696 -6.454 -4.072 537 HD22 LEU 67 1HD2 LEU 67 -2.626 -7.546 -3.046 538 HD23 LEU 67 2HD2 LEU 67 -3.450 -6.292 -3.971 539 H GLY 68 H GLY 68 -4.475 -6.512 -8.918 540 HA2 GLY 68 2HA GLY 68 -2.189 -7.121 -10.696 541 HA3 GLY 68 1HA GLY 68 -3.745 -6.537 -11.281 542 H LYS 69 H LYS 69 -2.738 -4.720 -12.258 543 HA LYS 69 HA LYS 69 -0.997 -2.911 -11.139 544 HB2 LYS 69 2HB LYS 69 -3.273 -2.089 -12.920 545 HB3 LYS 69 1HB LYS 69 -1.633 -1.461 -12.862 546 HG2 LYS 69 2HG LYS 69 -1.171 -2.877 -14.560 547 HG3 LYS 69 1HG LYS 69 -1.249 -4.159 -13.352 548 HD2 LYS 69 2HD LYS 69 -2.803 -4.920 -14.911 549 HD3 LYS 69 1HD LYS 69 -3.842 -4.023 -13.803 550 HE2 LYS 69 2HE LYS 69 -4.538 -3.052 -15.768 551 HE3 LYS 69 1HE LYS 69 -3.153 -2.008 -15.445 552 HZ1 LYS 69 3HZ LYS 69 -2.403 -2.659 -17.416 553 HZ2 LYS 69 1HZ LYS 69 -3.544 -3.907 -17.544 554 HZ3 LYS 69 2HZ LYS 69 -2.084 -4.172 -16.713 555 H GLY 70 H GLY 70 -1.137 -1.087 -9.929 556 HA2 GLY 70 2HA GLY 70 -2.085 0.646 -8.716 557 HA3 GLY 70 1HA GLY 70 -3.674 0.006 -9.077 558 H ASP 71 H ASP 71 -2.216 -2.660 -8.035 559 HA ASP 71 HA ASP 71 -3.554 -2.848 -5.627 560 HB2 ASP 71 2HB ASP 71 -2.510 -4.858 -5.331 561 HB3 ASP 71 1HB ASP 71 -2.163 -4.610 -7.035 562 H LEU 72 H LEU 72 -2.555 -3.147 -3.442 563 HA LEU 72 HA LEU 72 -0.324 -1.327 -2.885 564 HB2 LEU 72 2HB LEU 72 -2.366 0.044 -2.657 565 HB3 LEU 72 1HB LEU 72 -3.016 -1.130 -1.510 566 HG LEU 72 HG LEU 72 -0.672 -0.701 -0.304 567 HD11 LEU 72 1HD1 LEU 72 0.084 0.838 -2.113 568 HD12 LEU 72 2HD1 LEU 72 0.044 1.610 -0.527 569 HD13 LEU 72 3HD1 LEU 72 -1.240 1.926 -1.692 570 HD21 LEU 72 3HD2 LEU 72 -3.111 1.100 -0.200 571 HD22 LEU 72 1HD2 LEU 72 -1.831 1.110 1.014 572 HD23 LEU 72 2HD2 LEU 72 -2.811 -0.337 0.779 573 H ILE 73 H ILE 73 0.875 -1.925 -1.118 574 HA ILE 73 HA ILE 73 -0.027 -4.330 0.307 575 HB ILE 73 HB ILE 73 1.780 -5.124 -0.914 576 HG12 ILE 73 2HG1 ILE 73 3.668 -5.344 0.582 577 HG13 ILE 73 1HG1 ILE 73 3.203 -3.885 1.454 578 HG21 ILE 73 1HG2 ILE 73 2.539 -2.326 -0.721 579 HG22 ILE 73 2HG2 ILE 73 2.516 -3.405 -2.119 580 HG23 ILE 73 3HG2 ILE 73 3.830 -3.512 -0.941 581 HD11 ILE 73 3HD1 ILE 73 2.511 -6.485 2.150 582 HD12 ILE 73 1HD1 ILE 73 1.053 -5.865 1.379 583 HD13 ILE 73 2HD1 ILE 73 1.747 -5.017 2.759 584 H GLY 74 H GLY 74 -0.359 -4.057 2.364 585 HA2 GLY 74 2HA GLY 74 1.071 -3.352 4.430 586 HA3 GLY 74 1HA GLY 74 0.769 -1.744 3.774 587 H SER 75 H SER 75 -0.136 -3.033 6.318 588 HA SER 75 HA SER 75 -2.973 -3.446 6.036 589 HB2 SER 75 2HB SER 75 -2.783 -3.243 8.638 590 HB3 SER 75 1HB SER 75 -2.101 -4.647 7.822 591 HG SER 75 HG SER 75 -0.286 -2.718 7.783 592 H ASP 76 H ASP 76 -4.636 -2.107 6.698 593 HA ASP 76 HA ASP 76 -4.227 0.692 6.351 594 HB2 ASP 76 2HB ASP 76 -6.590 0.908 6.750 595 HB3 ASP 76 1HB ASP 76 -6.340 -0.549 5.790 596 H SER 77 H SER 77 -5.727 1.975 8.205 597 HA SER 77 HA SER 77 -5.621 2.942 10.287 598 HB2 SER 77 2HB SER 77 -6.192 0.436 10.832 599 HB3 SER 77 1HB SER 77 -4.537 0.393 11.433 600 HG SER 77 HG SER 77 -5.526 1.157 13.156 601 H LEU 78 H LEU 78 -3.432 3.298 8.592 602 HA LEU 78 HA LEU 78 -0.899 2.743 9.527 603 HB2 LEU 78 2HB LEU 78 -2.126 4.889 7.913 604 HB3 LEU 78 1HB LEU 78 -0.576 5.296 8.650 605 HG LEU 78 HG LEU 78 0.404 3.228 7.696 606 HD11 LEU 78 1HD1 LEU 78 -2.429 2.761 7.058 607 HD12 LEU 78 2HD1 LEU 78 -1.111 1.603 7.238 608 HD13 LEU 78 3HD1 LEU 78 -1.336 2.449 5.710 609 HD21 LEU 78 3HD2 LEU 78 -0.095 3.974 5.179 610 HD22 LEU 78 1HD2 LEU 78 0.864 4.981 6.262 611 HD23 LEU 78 2HD2 LEU 78 -0.842 5.354 5.992 612 H THR 79 H THR 79 -3.313 4.355 11.191 613 HA THR 79 HA THR 79 -1.526 6.072 12.733 614 HB THR 79 HB THR 79 -4.402 5.628 13.436 615 HG1 THR 79 1HG THR 79 -3.376 7.010 11.190 616 HG21 THR 79 3HG2 THR 79 -4.223 8.079 13.872 617 HG22 THR 79 1HG2 THR 79 -2.533 8.010 13.373 618 HG23 THR 79 2HG2 THR 79 -3.066 7.133 14.808 619 H LYS 80 H LYS 80 -2.238 2.865 12.744 620 HA LYS 80 HA LYS 80 -2.586 2.469 15.590 621 HB2 LYS 80 2HB LYS 80 -3.447 0.947 13.696 622 HB3 LYS 80 1HB LYS 80 -1.792 0.342 13.614 623 HG2 LYS 80 2HG LYS 80 -2.283 0.298 16.322 624 HG3 LYS 80 1HG LYS 80 -3.858 -0.135 15.653 625 HD2 LYS 80 2HD LYS 80 -1.262 -1.457 14.819 626 HD3 LYS 80 1HD LYS 80 -2.336 -2.107 16.059 627 HE2 LYS 80 2HE LYS 80 -4.161 -1.765 14.148 628 HE3 LYS 80 1HE LYS 80 -2.747 -1.915 13.105 629 HZ1 LYS 80 3HZ LYS 80 -2.920 -4.095 13.371 630 HZ2 LYS 80 1HZ LYS 80 -4.123 -3.930 14.555 631 HZ3 LYS 80 2HZ LYS 80 -2.484 -3.892 15.000 632 H GLU 81 H GLU 81 0.027 3.161 13.595 633 HA GLU 81 HA GLU 81 2.313 2.517 13.725 634 HB2 GLU 81 2HB GLU 81 1.776 4.740 14.856 635 HB3 GLU 81 1HB GLU 81 1.881 3.868 16.387 636 HG2 GLU 81 2HG GLU 81 4.170 3.012 15.418 637 HG3 GLU 81 1HG GLU 81 4.041 4.431 14.380 638 H GLN 82 H GLN 82 2.507 0.294 13.916 639 HA GLN 82 HA GLN 82 3.357 -0.654 16.518 640 HB2 GLN 82 2HB GLN 82 0.691 -1.056 15.801 641 HB3 GLN 82 1HB GLN 82 1.490 -2.580 15.441 642 HG2 GLN 82 2HG GLN 82 1.511 -1.114 18.078 643 HG3 GLN 82 1HG GLN 82 0.755 -2.665 17.716 644 HE21 GLN 82 1HE2 GLN 82 2.175 -4.540 17.386 645 HE22 GLN 82 2HE2 GLN 82 3.786 -4.509 17.918 646 H VAL 83 H VAL 83 4.191 -2.928 16.355 647 HA VAL 83 HA VAL 83 5.848 -3.155 14.025 648 HB VAL 83 HB VAL 83 6.927 -4.905 15.137 649 HG11 VAL 83 1HG1 VAL 83 5.632 -3.119 17.212 650 HG12 VAL 83 2HG1 VAL 83 7.200 -2.893 16.439 651 HG13 VAL 83 3HG1 VAL 83 6.958 -4.223 17.572 652 HG21 VAL 83 3HG2 VAL 83 5.257 -6.516 15.497 653 HG22 VAL 83 1HG2 VAL 83 4.219 -5.385 16.365 654 HG23 VAL 83 2HG2 VAL 83 5.668 -6.024 17.140 655 H ILE 84 H ILE 84 5.366 -4.132 12.165 656 HA ILE 84 HA ILE 84 3.273 -6.220 12.194 657 HB ILE 84 HB ILE 84 3.735 -4.237 9.956 658 HG12 ILE 84 2HG1 ILE 84 1.844 -4.213 12.312 659 HG13 ILE 84 1HG1 ILE 84 2.875 -2.909 11.719 660 HG21 ILE 84 1HG2 ILE 84 1.182 -5.703 10.336 661 HG22 ILE 84 2HG2 ILE 84 2.565 -6.679 9.842 662 HG23 ILE 84 3HG2 ILE 84 2.047 -5.315 8.849 663 HD11 ILE 84 3HD1 ILE 84 0.816 -2.243 10.871 664 HD12 ILE 84 1HD1 ILE 84 0.261 -3.901 10.637 665 HD13 ILE 84 2HD1 ILE 84 1.431 -3.196 9.520 666 H LYS 85 H LYS 85 3.975 -8.115 11.483 667 HA LYS 85 HA LYS 85 6.322 -8.147 9.682 668 HB2 LYS 85 2HB LYS 85 6.350 -10.632 10.758 669 HB3 LYS 85 1HB LYS 85 7.243 -9.271 11.430 670 HG2 LYS 85 2HG LYS 85 5.645 -8.873 13.099 671 HG3 LYS 85 1HG LYS 85 4.402 -9.776 12.242 672 HD2 LYS 85 2HD LYS 85 5.244 -11.839 12.897 673 HD3 LYS 85 1HD LYS 85 6.882 -11.214 13.094 674 HE2 LYS 85 2HE LYS 85 5.260 -11.730 15.186 675 HE3 LYS 85 1HE LYS 85 6.504 -10.481 15.212 676 HZ1 LYS 85 3HZ LYS 85 4.902 -8.837 14.622 677 HZ2 LYS 85 1HZ LYS 85 4.286 -9.704 15.943 678 HZ3 LYS 85 2HZ LYS 85 3.695 -10.009 14.381 679 H THR 86 H THR 86 6.142 -9.258 7.810 680 HA THR 86 HA THR 86 3.527 -10.041 6.963 681 HB THR 86 HB THR 86 6.062 -10.744 5.501 682 HG1 THR 86 1HG THR 86 6.429 -8.660 5.876 683 HG21 THR 86 3HG2 THR 86 3.182 -10.484 4.897 684 HG22 THR 86 1HG2 THR 86 4.419 -11.453 4.103 685 HG23 THR 86 2HG2 THR 86 4.252 -9.741 3.713 686 H ASN 87 H ASN 87 2.569 -11.875 7.493 687 HA ASN 87 HA ASN 87 4.057 -14.144 8.475 688 HB2 ASN 87 2HB ASN 87 1.848 -13.496 9.400 689 HB3 ASN 87 1HB ASN 87 1.107 -13.889 7.849 690 HD21 ASN 87 1HD2 ASN 87 2.036 -16.269 7.078 691 HD22 ASN 87 2HD2 ASN 87 1.862 -17.460 8.275 692 H ALA 88 H ALA 88 2.385 -13.260 5.500 693 HA ALA 88 HA ALA 88 2.893 -15.898 4.361 694 HB1 ALA 88 1HB ALA 88 0.806 -15.318 3.607 695 HB2 ALA 88 2HB ALA 88 1.761 -14.567 2.324 696 HB3 ALA 88 3HB ALA 88 1.157 -13.590 3.664 697 H ASN 89 H ASN 89 3.356 -15.444 1.770 698 HA ASN 89 HA ASN 89 5.868 -13.869 1.756 699 HB2 ASN 89 2HB ASN 89 5.174 -16.462 0.335 700 HB3 ASN 89 1HB ASN 89 6.606 -15.502 -0.033 701 HD21 ASN 89 1HD2 ASN 89 8.214 -16.924 0.819 702 HD22 ASN 89 2HD2 ASN 89 8.284 -17.366 2.457 703 H VAL 90 H VAL 90 6.422 -13.070 -0.504 704 HA VAL 90 HA VAL 90 4.033 -12.527 -2.100 705 HB VAL 90 HB VAL 90 5.929 -10.662 -0.795 706 HG11 VAL 90 1HG1 VAL 90 6.374 -10.330 -3.135 707 HG12 VAL 90 2HG1 VAL 90 5.446 -8.960 -2.529 708 HG13 VAL 90 3HG1 VAL 90 4.658 -10.207 -3.499 709 HG21 VAL 90 3HG2 VAL 90 3.657 -10.824 0.058 710 HG22 VAL 90 1HG2 VAL 90 2.993 -10.603 -1.560 711 HG23 VAL 90 2HG2 VAL 90 3.828 -9.271 -0.762 712 H LYS 91 H LYS 91 4.292 -12.793 -4.198 713 HA LYS 91 HA LYS 91 7.006 -12.789 -5.300 714 HB2 LYS 91 2HB LYS 91 6.585 -15.128 -4.880 715 HB3 LYS 91 1HB LYS 91 4.990 -15.019 -5.627 716 HG2 LYS 91 2HG LYS 91 5.932 -14.625 -7.794 717 HG3 LYS 91 1HG LYS 91 7.542 -14.374 -7.120 718 HD2 LYS 91 2HD LYS 91 7.841 -16.565 -7.687 719 HD3 LYS 91 1HD LYS 91 7.002 -16.862 -6.165 720 HE2 LYS 91 2HE LYS 91 4.921 -17.216 -7.259 721 HE3 LYS 91 1HE LYS 91 5.508 -16.524 -8.771 722 HZ1 LYS 91 3HZ LYS 91 7.222 -18.421 -8.643 723 HZ2 LYS 91 1HZ LYS 91 5.646 -18.775 -9.158 724 HZ3 LYS 91 2HZ LYS 91 6.121 -19.141 -7.568 725 H ALA 92 H ALA 92 7.033 -11.416 -6.944 726 HA ALA 92 HA ALA 92 4.680 -10.358 -8.138 727 HB1 ALA 92 1HB ALA 92 6.339 -8.833 -8.470 728 HB2 ALA 92 2HB ALA 92 6.645 -9.770 -9.933 729 HB3 ALA 92 3HB ALA 92 7.602 -10.065 -8.481 730 H LEU 93 H LEU 93 3.408 -11.390 -9.532 731 HA LEU 93 HA LEU 93 4.143 -13.842 -10.788 732 HB2 LEU 93 2HB LEU 93 1.754 -12.255 -10.422 733 HB3 LEU 93 1HB LEU 93 1.871 -12.817 -12.089 734 HG LEU 93 HG LEU 93 2.084 -15.111 -11.375 735 HD11 LEU 93 1HD1 LEU 93 1.691 -15.209 -8.653 736 HD12 LEU 93 2HD1 LEU 93 2.756 -13.813 -8.817 737 HD13 LEU 93 3HD1 LEU 93 3.256 -15.383 -9.446 738 HD21 LEU 93 3HD2 LEU 93 -0.048 -13.851 -9.629 739 HD22 LEU 93 1HD2 LEU 93 -0.081 -15.446 -10.382 740 HD23 LEU 93 2HD2 LEU 93 -0.204 -13.997 -11.380 741 H THR 94 H THR 94 3.539 -10.550 -11.954 742 HA THR 94 HA THR 94 5.095 -11.188 -14.385 743 HB THR 94 HB THR 94 2.749 -9.277 -14.220 744 HG1 THR 94 1HG THR 94 2.131 -11.476 -14.034 745 HG21 THR 94 3HG2 THR 94 3.143 -9.937 -16.845 746 HG22 THR 94 1HG2 THR 94 4.796 -9.944 -16.234 747 HG23 THR 94 2HG2 THR 94 3.804 -8.495 -16.075 748 H TYR 95 H TYR 95 6.498 -9.534 -15.113 749 HA TYR 95 HA TYR 95 7.826 -8.045 -13.226 750 HB2 TYR 95 2HB TYR 95 7.875 -6.496 -15.608 751 HB3 TYR 95 1HB TYR 95 9.109 -7.602 -15.003 752 HD1 TYR 95 2HD TYR 95 5.776 -7.694 -16.732 753 HD2 TYR 95 1HD TYR 95 9.683 -9.429 -16.326 754 HE1 TYR 95 2HE TYR 95 5.275 -9.257 -18.591 755 HE2 TYR 95 1HE TYR 95 9.183 -10.992 -18.186 756 HH TYR 95 HH TYR 95 6.809 -10.580 -20.345 757 H CYS 96 H CYS 96 7.274 -6.395 -11.976 758 HA CYS 96 HA CYS 96 5.362 -4.417 -13.006 759 HB2 CYS 96 2HB CYS 96 3.875 -4.623 -11.251 760 HB3 CYS 96 1HB CYS 96 4.373 -6.300 -11.448 761 HG CYS 96 HG CYS 96 5.037 -4.519 -9.055 762 H ASP 97 H ASP 97 5.561 -2.378 -12.186 763 HA ASP 97 HA ASP 97 8.058 -1.828 -10.726 764 HB2 ASP 97 2HB ASP 97 7.954 -0.517 -12.696 765 HB3 ASP 97 1HB ASP 97 6.245 -0.155 -12.465 766 H LEU 98 H LEU 98 7.975 -1.232 -8.626 767 HA LEU 98 HA LEU 98 5.355 -0.353 -7.577 768 HB2 LEU 98 2HB LEU 98 7.334 -1.854 -5.892 769 HB3 LEU 98 1HB LEU 98 5.594 -1.680 -5.676 770 HG LEU 98 HG LEU 98 5.469 -2.936 -7.990 771 HD11 LEU 98 1HD1 LEU 98 7.726 -3.113 -8.634 772 HD12 LEU 98 2HD1 LEU 98 7.394 -4.694 -7.933 773 HD13 LEU 98 3HD1 LEU 98 8.263 -3.480 -6.995 774 HD21 LEU 98 3HD2 LEU 98 5.076 -4.941 -6.818 775 HD22 LEU 98 1HD2 LEU 98 4.834 -3.711 -5.579 776 HD23 LEU 98 2HD2 LEU 98 6.347 -4.612 -5.642 777 H GLN 99 H GLN 99 5.317 1.293 -6.139 778 HA GLN 99 HA GLN 99 7.905 2.605 -5.567 779 HB2 GLN 99 2HB GLN 99 6.310 3.871 -7.072 780 HB3 GLN 99 1HB GLN 99 5.192 3.943 -5.709 781 HG2 GLN 99 2HG GLN 99 6.652 5.279 -4.426 782 HG3 GLN 99 1HG GLN 99 8.047 4.865 -5.420 783 HE21 GLN 99 1HE2 GLN 99 8.663 6.650 -6.643 784 HE22 GLN 99 2HE2 GLN 99 7.591 7.743 -7.375 785 H TYR 100 H TYR 100 8.394 2.921 -3.458 786 HA TYR 100 HA TYR 100 6.256 2.785 -1.477 787 HB2 TYR 100 2HB TYR 100 7.221 1.055 -0.174 788 HB3 TYR 100 1HB TYR 100 7.168 0.443 -1.821 789 HD1 TYR 100 2HD TYR 100 9.645 2.420 -2.582 790 HD2 TYR 100 1HD TYR 100 8.941 -0.610 0.376 791 HE1 TYR 100 2HE TYR 100 12.073 1.955 -2.470 792 HE2 TYR 100 1HE TYR 100 11.367 -1.077 0.467 793 HH TYR 100 HH TYR 100 13.429 -0.533 -1.578 794 H ILE 101 H ILE 101 7.028 3.276 0.712 795 HA ILE 101 HA ILE 101 9.510 4.754 0.910 796 HB ILE 101 HB ILE 101 8.636 6.772 0.462 797 HG12 ILE 101 2HG1 ILE 101 8.228 6.710 2.995 798 HG13 ILE 101 1HG1 ILE 101 7.237 7.840 2.080 799 HG21 ILE 101 1HG2 ILE 101 6.056 5.227 0.427 800 HG22 ILE 101 2HG2 ILE 101 6.994 5.783 -0.964 801 HG23 ILE 101 3HG2 ILE 101 6.125 6.947 0.039 802 HD11 ILE 101 3HD1 ILE 101 6.239 5.936 3.810 803 HD12 ILE 101 1HD1 ILE 101 6.073 5.148 2.241 804 HD13 ILE 101 2HD1 ILE 101 5.316 6.707 2.519 805 H SER 102 H SER 102 10.006 5.344 3.128 806 HA SER 102 HA SER 102 8.913 3.423 4.984 807 HB2 SER 102 2HB SER 102 10.492 4.499 6.597 808 HB3 SER 102 1HB SER 102 11.270 3.909 5.133 809 HG SER 102 HG SER 102 10.646 6.549 5.907 810 H LEU 103 H LEU 103 7.241 3.724 6.258 811 HA LEU 103 HA LEU 103 5.500 5.844 6.180 812 HB2 LEU 103 2HB LEU 103 5.186 3.558 7.252 813 HB3 LEU 103 1HB LEU 103 5.965 4.225 8.683 814 HG LEU 103 HG LEU 103 3.700 5.735 7.425 815 HD11 LEU 103 1HD1 LEU 103 3.596 3.137 8.885 816 HD12 LEU 103 2HD1 LEU 103 2.548 3.742 7.600 817 HD13 LEU 103 3HD1 LEU 103 2.356 4.339 9.250 818 HD21 LEU 103 3HD2 LEU 103 3.816 5.456 10.330 819 HD22 LEU 103 1HD2 LEU 103 3.833 6.923 9.352 820 HD23 LEU 103 2HD2 LEU 103 5.337 6.063 9.678 821 H LYS 104 H LYS 104 8.471 5.554 7.987 822 HA LYS 104 HA LYS 104 7.999 7.700 9.812 823 HB2 LYS 104 2HB LYS 104 10.714 6.843 8.817 824 HB3 LYS 104 1HB LYS 104 10.282 7.497 10.396 825 HG2 LYS 104 2HG LYS 104 9.106 5.481 10.994 826 HG3 LYS 104 1HG LYS 104 9.254 4.846 9.355 827 HD2 LYS 104 2HD LYS 104 11.340 4.067 9.740 828 HD3 LYS 104 1HD LYS 104 11.845 5.580 10.495 829 HE2 LYS 104 2HE LYS 104 10.020 3.700 11.973 830 HE3 LYS 104 1HE LYS 104 11.758 3.405 11.950 831 HZ1 LYS 104 3HZ LYS 104 12.135 5.597 12.836 832 HZ2 LYS 104 1HZ LYS 104 11.066 4.757 13.850 833 HZ3 LYS 104 2HZ LYS 104 10.473 5.947 12.792 834 H GLY 105 H GLY 105 9.647 7.435 6.685 835 HA2 GLY 105 2HA GLY 105 10.523 10.110 6.472 836 HA3 GLY 105 1HA GLY 105 10.277 8.998 5.136 837 H LEU 106 H LEU 106 7.598 8.487 5.266 838 HA LEU 106 HA LEU 106 6.538 10.715 3.914 839 HB2 LEU 106 2HB LEU 106 5.660 8.660 3.289 840 HB3 LEU 106 1HB LEU 106 5.340 8.172 4.950 841 HG LEU 106 HG LEU 106 3.988 10.643 3.979 842 HD11 LEU 106 1HD1 LEU 106 3.834 8.907 2.112 843 HD12 LEU 106 2HD1 LEU 106 2.293 9.461 2.765 844 HD13 LEU 106 3HD1 LEU 106 2.944 7.895 3.249 845 HD21 LEU 106 3HD2 LEU 106 3.865 9.232 6.265 846 HD22 LEU 106 1HD2 LEU 106 2.629 8.374 5.350 847 HD23 LEU 106 2HD2 LEU 106 2.471 10.107 5.632 848 H ARG 107 H ARG 107 6.024 9.550 7.225 849 HA ARG 107 HA ARG 107 3.962 11.409 7.755 850 HB2 ARG 107 2HB ARG 107 4.061 9.452 9.120 851 HB3 ARG 107 1HB ARG 107 5.705 9.815 9.615 852 HG2 ARG 107 2HG ARG 107 4.067 10.432 11.368 853 HG3 ARG 107 1HG ARG 107 4.951 11.838 10.769 854 HD2 ARG 107 2HD ARG 107 3.080 12.784 9.937 855 HD3 ARG 107 1HD ARG 107 2.569 11.273 9.191 856 HE ARG 107 HE ARG 107 1.560 12.346 11.611 857 HH11 ARG 107 1HH2 ARG 107 2.627 9.395 10.155 858 HH12 ARG 107 2HH2 ARG 107 1.605 8.386 11.122 859 HH21 ARG 107 1HH1 ARG 107 0.214 11.030 12.883 860 HH22 ARG 107 2HH1 ARG 107 0.237 9.311 12.667 861 H GLU 108 H GLU 108 7.424 11.649 7.977 862 HA GLU 108 HA GLU 108 7.518 13.941 9.681 863 HB2 GLU 108 2HB GLU 108 9.484 12.487 9.312 864 HB3 GLU 108 1HB GLU 108 9.537 13.002 7.626 865 HG2 GLU 108 2HG GLU 108 9.650 15.406 8.556 866 HG3 GLU 108 1HG GLU 108 10.038 14.653 10.102 867 H VAL 109 H VAL 109 7.833 13.501 6.199 868 HA VAL 109 HA VAL 109 7.955 16.187 5.417 869 HB VAL 109 HB VAL 109 6.933 15.178 3.241 870 HG11 VAL 109 1HG1 VAL 109 9.286 15.352 3.217 871 HG12 VAL 109 2HG1 VAL 109 9.053 13.601 3.099 872 HG13 VAL 109 3HG1 VAL 109 9.451 14.333 4.649 873 HG21 VAL 109 3HG2 VAL 109 7.149 12.651 3.303 874 HG22 VAL 109 1HG2 VAL 109 5.714 13.366 4.032 875 HG23 VAL 109 2HG2 VAL 109 7.026 12.792 5.049 876 H LEU 110 H LEU 110 5.186 13.982 5.636 877 HA LEU 110 HA LEU 110 3.218 15.930 5.093 878 HB2 LEU 110 2HB LEU 110 3.312 13.174 5.595 879 HB3 LEU 110 1HB LEU 110 2.286 13.810 6.849 880 HG LEU 110 HG LEU 110 0.850 14.881 5.172 881 HD11 LEU 110 1HD1 LEU 110 3.208 14.472 3.541 882 HD12 LEU 110 2HD1 LEU 110 1.847 15.554 3.267 883 HD13 LEU 110 3HD1 LEU 110 1.766 13.877 2.725 884 HD21 LEU 110 3HD2 LEU 110 -0.173 12.950 4.411 885 HD22 LEU 110 1HD2 LEU 110 0.887 12.260 5.642 886 HD23 LEU 110 2HD2 LEU 110 1.352 12.201 3.940 887 H ARG 111 H ARG 111 5.039 15.108 7.957 888 HA ARG 111 HA ARG 111 3.416 16.286 9.919 889 HB2 ARG 111 2HB ARG 111 5.725 15.062 10.169 890 HB3 ARG 111 1HB ARG 111 6.402 16.673 9.950 891 HG2 ARG 111 2HG ARG 111 5.786 17.336 12.022 892 HG3 ARG 111 1HG ARG 111 4.189 16.604 11.882 893 HD2 ARG 111 2HD ARG 111 5.299 14.355 12.222 894 HD3 ARG 111 1HD ARG 111 6.781 15.223 12.608 895 HE ARG 111 HE ARG 111 4.361 15.095 14.249 896 HH11 ARG 111 1HH2 ARG 111 7.472 16.476 13.618 897 HH12 ARG 111 2HH2 ARG 111 7.689 17.067 15.231 898 HH21 ARG 111 1HH1 ARG 111 4.643 15.865 16.369 899 HH22 ARG 111 2HH1 ARG 111 6.089 16.721 16.788 900 H LEU 112 H LEU 112 5.547 17.594 7.471 901 HA LEU 112 HA LEU 112 5.556 20.303 8.323 902 HB2 LEU 112 2HB LEU 112 6.799 18.987 6.302 903 HB3 LEU 112 1HB LEU 112 5.480 19.737 5.402 904 HG LEU 112 HG LEU 112 6.114 21.924 6.555 905 HD11 LEU 112 1HD1 LEU 112 7.994 20.090 7.792 906 HD12 LEU 112 2HD1 LEU 112 7.629 21.763 8.216 907 HD13 LEU 112 3HD1 LEU 112 8.843 21.409 6.986 908 HD21 LEU 112 3HD2 LEU 112 8.039 22.308 5.010 909 HD22 LEU 112 1HD2 LEU 112 6.693 21.490 4.216 910 HD23 LEU 112 2HD2 LEU 112 8.113 20.571 4.715 911 H TYR 113 H TYR 113 3.348 18.180 6.768 912 HA TYR 113 HA TYR 113 1.317 20.343 6.545 913 HB2 TYR 113 2HB TYR 113 2.017 18.073 4.771 914 HB3 TYR 113 1HB TYR 113 0.293 18.323 5.037 915 HD1 TYR 113 1HD TYR 113 2.945 20.938 5.043 916 HD2 TYR 113 2HD TYR 113 -0.377 19.217 2.933 917 HE1 TYR 113 1HE TYR 113 2.975 22.837 3.451 918 HE2 TYR 113 2HE TYR 113 -0.346 21.117 1.340 919 HH TYR 113 HH TYR 113 2.116 23.068 0.855 920 HA PRO 114 HA PRO 114 0.236 17.527 10.067 921 HB2 PRO 114 2HB PRO 114 -1.230 19.925 10.966 922 HB3 PRO 114 1HB PRO 114 -0.027 18.944 11.822 923 HG2 PRO 114 2HG PRO 114 0.507 21.405 10.894 924 HG3 PRO 114 1HG PRO 114 1.731 20.128 10.987 925 HD2 PRO 114 2HD PRO 114 0.277 21.175 8.591 926 HD3 PRO 114 1HD PRO 114 1.940 20.570 8.734 927 H GLU 115 H GLU 115 -2.074 19.765 8.449 928 HA GLU 115 HA GLU 115 -4.383 18.369 9.327 929 HB2 GLU 115 2HB GLU 115 -3.835 20.329 7.122 930 HB3 GLU 115 1HB GLU 115 -5.409 19.543 7.244 931 HG2 GLU 115 2HG GLU 115 -5.588 20.318 9.597 932 HG3 GLU 115 1HG GLU 115 -4.050 21.160 9.418 933 H TYR 116 H TYR 116 -2.698 18.322 6.204 934 HA TYR 116 HA TYR 116 -4.289 16.227 5.111 935 HB2 TYR 116 2HB TYR 116 -1.844 17.721 4.342 936 HB3 TYR 116 1HB TYR 116 -2.064 16.133 3.610 937 HD1 TYR 116 1HD TYR 116 -3.645 19.455 4.119 938 HD2 TYR 116 2HD TYR 116 -3.749 15.746 1.955 939 HE1 TYR 116 1HE TYR 116 -5.331 20.407 2.569 940 HE2 TYR 116 2HE TYR 116 -5.434 16.698 0.404 941 HH TYR 116 HH TYR 116 -6.004 19.287 -0.325 942 H ALA 117 H ALA 117 -1.320 16.371 6.946 943 HA ALA 117 HA ALA 117 -0.443 13.737 6.466 944 HB1 ALA 117 1HB ALA 117 1.098 15.332 7.263 945 HB2 ALA 117 2HB ALA 117 0.930 14.122 8.533 946 HB3 ALA 117 3HB ALA 117 0.118 15.682 8.682 947 H GLN 118 H GLN 118 -1.964 15.034 9.429 948 HA GLN 118 HA GLN 118 -2.255 12.589 10.714 949 HB2 GLN 118 2HB GLN 118 -4.102 14.994 10.754 950 HB3 GLN 118 1HB GLN 118 -4.171 13.662 11.892 951 HG2 GLN 118 2HG GLN 118 -1.977 15.693 11.548 952 HG3 GLN 118 1HG GLN 118 -2.901 15.316 12.997 953 HE21 GLN 118 1HE2 GLN 118 -0.093 14.445 11.121 954 HE22 GLN 118 2HE2 GLN 118 0.436 13.188 12.133 955 H LYS 119 H LYS 119 -4.122 14.103 8.183 956 HA LYS 119 HA LYS 119 -6.249 12.179 8.178 957 HB2 LYS 119 2HB LYS 119 -5.618 14.638 6.835 958 HB3 LYS 119 1HB LYS 119 -6.065 13.420 5.642 959 HG2 LYS 119 2HG LYS 119 -8.063 12.885 7.158 960 HG3 LYS 119 1HG LYS 119 -7.678 14.380 8.012 961 HD2 LYS 119 2HD LYS 119 -7.891 15.647 5.911 962 HD3 LYS 119 1HD LYS 119 -8.256 14.156 5.042 963 HE2 LYS 119 2HE LYS 119 -10.375 13.996 5.922 964 HE3 LYS 119 1HE LYS 119 -9.914 14.762 7.443 965 HZ1 LYS 119 3HZ LYS 119 -10.031 16.868 6.511 966 HZ2 LYS 119 1HZ LYS 119 -11.370 16.077 5.836 967 HZ3 LYS 119 2HZ LYS 119 -9.958 16.286 4.916 968 H PHE 120 H PHE 120 -3.061 12.336 6.704 969 HA PHE 120 HA PHE 120 -3.410 10.742 4.467 970 HB2 PHE 120 2HB PHE 120 -1.219 11.055 4.314 971 HB3 PHE 120 1HB PHE 120 -1.245 11.790 5.909 972 HD1 PHE 120 1HD PHE 120 -0.863 8.534 4.112 973 HD2 PHE 120 2HD PHE 120 -0.263 10.699 7.776 974 HE1 PHE 120 1HE PHE 120 0.517 6.684 4.980 975 HE2 PHE 120 2HE PHE 120 1.102 8.830 8.655 976 HZ PHE 120 HZ PHE 120 1.495 6.820 7.260 977 H VAL 121 H VAL 121 -2.830 9.647 7.803 978 HA VAL 121 HA VAL 121 -2.539 6.937 7.258 979 HB VAL 121 HB VAL 121 -3.157 6.532 9.562 980 HG11 VAL 121 1HG1 VAL 121 -1.573 8.983 8.906 981 HG12 VAL 121 2HG1 VAL 121 -1.031 7.457 9.603 982 HG13 VAL 121 3HG1 VAL 121 -1.898 8.626 10.601 983 HG21 VAL 121 3HG2 VAL 121 -5.149 7.682 9.962 984 HG22 VAL 121 1HG2 VAL 121 -4.556 9.170 9.224 985 HG23 VAL 121 2HG2 VAL 121 -3.991 8.695 10.825 986 H SER 122 H SER 122 -5.492 8.850 7.680 987 HA SER 122 HA SER 122 -7.193 6.513 7.355 988 HB2 SER 122 2HB SER 122 -7.622 8.654 8.805 989 HB3 SER 122 1HB SER 122 -8.207 9.333 7.289 990 HG SER 122 HG SER 122 -9.818 8.228 8.586 991 H GLU 123 H GLU 123 -6.511 9.502 5.530 992 HA GLU 123 HA GLU 123 -8.230 9.119 3.391 993 HB2 GLU 123 2HB GLU 123 -5.769 10.639 3.880 994 HB3 GLU 123 1HB GLU 123 -6.015 10.214 2.186 995 HG2 GLU 123 2HG GLU 123 -8.050 11.364 2.054 996 HG3 GLU 123 1HG GLU 123 -8.297 11.319 3.800 997 H ILE 124 H ILE 124 -5.379 7.361 4.213 998 HA ILE 124 HA ILE 124 -4.608 6.375 1.698 999 HB ILE 124 HB ILE 124 -3.680 6.108 4.239 1000 HG12 ILE 124 2HG1 ILE 124 -3.140 4.621 1.679 1001 HG13 ILE 124 1HG1 ILE 124 -2.180 5.878 2.457 1002 HG21 ILE 124 1HG2 ILE 124 -3.831 3.789 4.915 1003 HG22 ILE 124 2HG2 ILE 124 -4.730 3.370 3.462 1004 HG23 ILE 124 3HG2 ILE 124 -5.471 4.392 4.693 1005 HD11 ILE 124 3HD1 ILE 124 -2.244 2.959 2.972 1006 HD12 ILE 124 1HD1 ILE 124 -2.140 3.990 4.399 1007 HD13 ILE 124 2HD1 ILE 124 -0.913 4.103 3.140 1008 H GLN 125 H GLN 125 -7.076 5.300 3.980 1009 HA GLN 125 HA GLN 125 -7.714 2.812 3.040 1010 HB2 GLN 125 2HB GLN 125 -9.875 3.094 3.994 1011 HB3 GLN 125 1HB GLN 125 -8.771 4.075 4.958 1012 HG2 GLN 125 2HG GLN 125 -10.508 5.559 4.554 1013 HG3 GLN 125 1HG GLN 125 -9.311 5.930 3.320 1014 HE21 GLN 125 1HE2 GLN 125 -11.607 3.181 3.370 1015 HE22 GLN 125 2HE2 GLN 125 -12.401 3.619 1.935 1016 H HIS 126 H HIS 126 -8.391 5.890 1.559 1017 HA HIS 126 HA HIS 126 -10.343 5.072 -0.291 1018 HB2 HIS 126 2HB HIS 126 -10.095 7.382 -0.055 1019 HB3 HIS 126 1HB HIS 126 -8.350 7.294 -0.260 1020 HD1 HIS 126 1HD HIS 126 -7.507 6.601 -2.735 1021 HD2 HIS 126 2HD HIS 126 -11.500 7.761 -2.431 1022 HE1 HIS 126 1HE HIS 126 -8.287 7.107 -5.090 1023 HE2 HIS 126 2HE HIS 126 -10.719 7.817 -4.922 1024 H ASP 127 H ASP 127 -6.909 4.546 -0.214 1025 HA ASP 127 HA ASP 127 -7.069 3.428 -2.950 1026 HB2 ASP 127 2HB ASP 127 -4.474 3.814 -2.792 1027 HB3 ASP 127 1HB ASP 127 -5.549 5.137 -3.233 1028 H LEU 128 H LEU 128 -7.443 2.235 -0.142 1029 HA LEU 128 HA LEU 128 -5.233 0.423 0.191 1030 HB2 LEU 128 2HB LEU 128 -6.696 1.143 2.070 1031 HB3 LEU 128 1HB LEU 128 -8.030 0.252 1.337 1032 HG LEU 128 HG LEU 128 -6.049 -1.646 1.356 1033 HD11 LEU 128 1HD1 LEU 128 -4.483 -0.332 2.627 1034 HD12 LEU 128 2HD1 LEU 128 -5.160 -1.528 3.731 1035 HD13 LEU 128 3HD1 LEU 128 -5.728 0.141 3.781 1036 HD21 LEU 128 3HD2 LEU 128 -8.289 -0.940 3.236 1037 HD22 LEU 128 1HD2 LEU 128 -7.250 -2.319 3.600 1038 HD23 LEU 128 2HD2 LEU 128 -8.175 -2.282 2.098 1039 H THR 129 H THR 129 -4.835 -1.207 -1.163 1040 HA THR 129 HA THR 129 -7.096 -2.465 -2.579 1041 HB THR 129 HB THR 129 -4.133 -2.596 -3.179 1042 HG1 THR 129 1HG THR 129 -4.741 -0.609 -3.745 1043 HG21 THR 129 3HG2 THR 129 -6.413 -4.132 -4.079 1044 HG22 THR 129 1HG2 THR 129 -4.707 -4.340 -4.475 1045 HG23 THR 129 2HG2 THR 129 -5.705 -3.237 -5.423 1046 H TYR 130 H TYR 130 -4.004 -3.379 -1.018 1047 HA TYR 130 HA TYR 130 -5.342 -5.828 -0.059 1048 HB2 TYR 130 2HB TYR 130 -4.108 -6.998 -1.526 1049 HB3 TYR 130 1HB TYR 130 -3.121 -5.598 -1.926 1050 HD1 TYR 130 1HD TYR 130 -3.493 -7.489 1.356 1051 HD2 TYR 130 2HD TYR 130 -0.935 -6.257 -1.883 1052 HE1 TYR 130 1HE TYR 130 -1.551 -8.514 2.480 1053 HE2 TYR 130 2HE TYR 130 1.004 -7.275 -0.732 1054 HH TYR 130 HH TYR 130 1.697 -7.972 1.438 1055 H ASN 131 H ASN 131 -5.354 -5.745 2.044 1056 HA ASN 131 HA ASN 131 -3.336 -4.211 3.486 1057 HB2 ASN 131 2HB ASN 131 -5.412 -3.681 4.351 1058 HB3 ASN 131 1HB ASN 131 -6.041 -5.310 4.117 1059 HD21 ASN 131 1HD2 ASN 131 -5.285 -3.260 6.555 1060 HD22 ASN 131 2HD2 ASN 131 -4.762 -4.368 7.730 1061 H LEU 132 H LEU 132 -1.562 -5.177 4.206 1062 HA LEU 132 HA LEU 132 -1.614 -8.077 4.582 1063 HB2 LEU 132 2HB LEU 132 0.191 -7.157 3.205 1064 HB3 LEU 132 1HB LEU 132 0.696 -6.110 4.523 1065 HG LEU 132 HG LEU 132 1.968 -8.355 4.146 1066 HD11 LEU 132 1HD1 LEU 132 1.234 -8.422 6.958 1067 HD12 LEU 132 2HD1 LEU 132 1.491 -6.770 6.403 1068 HD13 LEU 132 3HD1 LEU 132 2.767 -7.972 6.213 1069 HD21 LEU 132 3HD2 LEU 132 -0.358 -9.401 5.777 1070 HD22 LEU 132 1HD2 LEU 132 1.001 -10.316 5.128 1071 HD23 LEU 132 2HD2 LEU 132 -0.218 -9.659 4.037 1072 H ARG 133 H ARG 133 -2.074 -8.780 6.567 1073 HA ARG 133 HA ARG 133 -1.398 -7.105 8.893 1074 HB2 ARG 133 2HB ARG 133 -3.695 -8.681 8.196 1075 HB3 ARG 133 1HB ARG 133 -2.989 -9.311 9.683 1076 HG2 ARG 133 2HG ARG 133 -2.901 -6.901 10.514 1077 HG3 ARG 133 1HG ARG 133 -3.913 -6.486 9.129 1078 HD2 ARG 133 2HD ARG 133 -5.194 -6.950 11.253 1079 HD3 ARG 133 1HD ARG 133 -5.671 -7.934 9.874 1080 HE ARG 133 HE ARG 133 -4.730 -9.815 10.930 1081 HH11 ARG 133 1HH2 ARG 133 -4.126 -6.868 12.644 1082 HH12 ARG 133 2HH2 ARG 133 -3.582 -7.658 14.086 1083 HH21 ARG 133 1HH1 ARG 133 -4.017 -10.855 12.820 1084 HH22 ARG 133 2HH1 ARG 133 -3.520 -9.913 14.186 1085 H GLU 134 H GLU 134 -0.477 -8.048 10.761 1086 HA GLU 134 HA GLU 134 1.603 -9.919 10.196 1087 HB2 GLU 134 2HB GLU 134 2.228 -9.646 12.509 1088 HB3 GLU 134 1HB GLU 134 1.773 -8.065 11.870 1089 HG2 GLU 134 2HG GLU 134 -0.564 -8.510 12.773 1090 HG3 GLU 134 1HG GLU 134 0.120 -9.895 13.618 1091 H GLY 135 H GLY 135 1.899 -12.007 10.994 1092 HA2 GLY 135 2HA GLY 135 1.297 -14.067 11.891 1093 HA3 GLY 135 1HA GLY 135 -0.205 -13.347 12.464 Start of MODEL 12 1 H1 MET 1 H MET 1 4.856 10.757 -16.052 2 HA MET 1 HA MET 1 7.198 10.363 -17.366 3 HB2 MET 1 2HB MET 1 7.455 13.048 -16.011 4 HB3 MET 1 1HB MET 1 8.620 12.246 -17.063 5 HG2 MET 1 2HG MET 1 7.642 13.769 -18.535 6 HG3 MET 1 1HG MET 1 6.665 12.329 -18.820 7 HE1 MET 1 3HE MET 1 6.575 15.988 -18.269 8 HE2 MET 1 1HE MET 1 4.833 16.080 -18.567 9 HE3 MET 1 2HE MET 1 5.868 15.139 -19.640 10 H ASN 2 H ASN 2 5.929 11.709 -14.350 11 HA ASN 2 HA ASN 2 7.506 9.703 -12.878 12 HB2 ASN 2 2HB ASN 2 8.390 12.213 -12.893 13 HB3 ASN 2 1HB ASN 2 7.160 12.394 -11.644 14 HD21 ASN 2 1HD2 ASN 2 7.407 9.668 -10.580 15 HD22 ASN 2 2HD2 ASN 2 8.908 9.585 -9.792 16 H LYS 3 H LYS 3 5.417 12.375 -11.820 17 HA LYS 3 HA LYS 3 3.759 12.250 -10.165 18 HB2 LYS 3 2HB LYS 3 2.475 10.425 -12.187 19 HB3 LYS 3 1HB LYS 3 1.721 11.670 -11.190 20 HG2 LYS 3 2HG LYS 3 3.086 13.385 -12.432 21 HG3 LYS 3 1HG LYS 3 3.613 12.099 -13.518 22 HD2 LYS 3 2HD LYS 3 1.673 12.166 -14.664 23 HD3 LYS 3 1HD LYS 3 0.725 12.072 -13.178 24 HE2 LYS 3 2HE LYS 3 2.050 14.619 -14.142 25 HE3 LYS 3 1HE LYS 3 0.380 14.195 -14.518 26 HZ1 LYS 3 3HZ LYS 3 -0.029 15.269 -12.606 27 HZ2 LYS 3 1HZ LYS 3 1.549 15.073 -12.017 28 HZ3 LYS 3 2HZ LYS 3 0.430 13.801 -11.884 29 H GLU 4 H GLU 4 4.904 11.020 -8.566 30 HA GLU 4 HA GLU 4 4.784 8.155 -8.533 31 HB2 GLU 4 2HB GLU 4 5.654 10.276 -6.604 32 HB3 GLU 4 1HB GLU 4 5.425 8.624 -6.033 33 HG2 GLU 4 2HG GLU 4 7.305 7.901 -7.055 34 HG3 GLU 4 1HG GLU 4 6.898 8.731 -8.555 35 H LEU 5 H LEU 5 3.867 7.070 -6.486 36 HA LEU 5 HA LEU 5 1.100 7.151 -6.568 37 HB2 LEU 5 2HB LEU 5 2.513 5.300 -5.625 38 HB3 LEU 5 1HB LEU 5 2.738 6.284 -4.184 39 HG LEU 5 HG LEU 5 0.875 4.550 -4.076 40 HD11 LEU 5 1HD1 LEU 5 1.040 7.140 -3.046 41 HD12 LEU 5 2HD1 LEU 5 0.073 5.811 -2.421 42 HD13 LEU 5 3HD1 LEU 5 -0.633 6.951 -3.564 43 HD21 LEU 5 3HD2 LEU 5 0.096 5.223 -6.472 44 HD22 LEU 5 1HD2 LEU 5 -0.765 6.520 -5.642 45 HD23 LEU 5 2HD2 LEU 5 -1.123 4.838 -5.259 46 H LEU 6 H LEU 6 3.290 9.147 -4.724 47 HA LEU 6 HA LEU 6 1.632 9.996 -2.673 48 HB2 LEU 6 2HB LEU 6 2.856 12.212 -2.868 49 HB3 LEU 6 1HB LEU 6 3.865 10.780 -2.644 50 HG LEU 6 HG LEU 6 4.006 10.691 -5.216 51 HD11 LEU 6 1HD1 LEU 6 2.391 12.168 -6.009 52 HD12 LEU 6 2HD1 LEU 6 3.837 13.176 -6.076 53 HD13 LEU 6 3HD1 LEU 6 2.701 13.351 -4.738 54 HD21 LEU 6 3HD2 LEU 6 6.013 11.284 -4.208 55 HD22 LEU 6 1HD2 LEU 6 5.309 12.679 -3.390 56 HD23 LEU 6 2HD2 LEU 6 5.669 12.757 -5.115 57 H GLN 7 H GLN 7 0.632 9.921 -5.717 58 HA GLN 7 HA GLN 7 -0.430 12.492 -6.207 59 HB2 GLN 7 2HB GLN 7 -0.251 10.287 -7.708 60 HB3 GLN 7 1HB GLN 7 -1.909 10.078 -7.140 61 HG2 GLN 7 2HG GLN 7 -2.104 12.640 -7.791 62 HG3 GLN 7 1HG GLN 7 -0.751 12.245 -8.852 63 HE21 GLN 7 1HE2 GLN 7 -2.148 9.346 -8.760 64 HE22 GLN 7 2HE2 GLN 7 -3.296 9.492 -10.002 65 H LEU 8 H LEU 8 -1.036 10.311 -3.777 66 HA LEU 8 HA LEU 8 -3.865 10.538 -3.498 67 HB2 LEU 8 2HB LEU 8 -1.614 9.487 -1.904 68 HB3 LEU 8 1HB LEU 8 -2.998 10.050 -0.966 69 HG LEU 8 HG LEU 8 -4.497 8.591 -2.153 70 HD11 LEU 8 1HD1 LEU 8 -3.993 8.413 -4.368 71 HD12 LEU 8 2HD1 LEU 8 -3.077 6.996 -3.854 72 HD13 LEU 8 3HD1 LEU 8 -2.257 8.540 -4.084 73 HD21 LEU 8 3HD2 LEU 8 -2.593 7.677 -0.469 74 HD22 LEU 8 1HD2 LEU 8 -2.190 6.725 -1.898 75 HD23 LEU 8 2HD2 LEU 8 -3.803 6.620 -1.194 76 HA PRO 9 HA PRO 9 -4.770 14.471 -1.791 77 HB2 PRO 9 2HB PRO 9 -5.566 13.048 0.713 78 HB3 PRO 9 1HB PRO 9 -6.453 14.257 -0.233 79 HG2 PRO 9 2HG PRO 9 -7.021 11.641 -0.351 80 HG3 PRO 9 1HG PRO 9 -7.210 12.724 -1.739 81 HD2 PRO 9 2HD PRO 9 -5.209 10.593 -1.302 82 HD3 PRO 9 1HD PRO 9 -5.740 11.354 -2.817 83 H LEU 10 H LEU 10 -2.588 12.365 -0.081 84 HA LEU 10 HA LEU 10 -1.939 13.862 2.139 85 HB2 LEU 10 2HB LEU 10 0.528 12.971 1.458 86 HB3 LEU 10 1HB LEU 10 -0.664 12.080 2.400 87 HG LEU 10 HG LEU 10 -1.461 11.499 -0.167 88 HD11 LEU 10 1HD1 LEU 10 0.778 12.820 -0.689 89 HD12 LEU 10 2HD1 LEU 10 0.312 11.389 -1.625 90 HD13 LEU 10 3HD1 LEU 10 1.503 11.243 -0.330 91 HD21 LEU 10 3HD2 LEU 10 -0.691 9.321 0.307 92 HD22 LEU 10 1HD2 LEU 10 -0.939 10.032 1.907 93 HD23 LEU 10 2HD2 LEU 10 0.689 9.922 1.226 94 H PHE 11 H PHE 11 -0.469 14.153 -1.088 95 HA PHE 11 HA PHE 11 0.904 16.518 -0.120 96 HB2 PHE 11 2HB PHE 11 2.380 16.392 -1.883 97 HB3 PHE 11 1HB PHE 11 2.016 14.691 -1.566 98 HD1 PHE 11 1HD PHE 11 -0.419 14.141 -2.617 99 HD2 PHE 11 2HD PHE 11 2.440 16.854 -4.234 100 HE1 PHE 11 1HE PHE 11 -1.450 13.867 -4.867 101 HE2 PHE 11 2HE PHE 11 1.450 16.585 -6.489 102 HZ PHE 11 HZ PHE 11 -0.504 15.087 -6.808 103 H GLU 12 H GLU 12 -1.443 15.569 -2.574 104 HA GLU 12 HA GLU 12 -1.731 17.985 -3.931 105 HB2 GLU 12 2HB GLU 12 -2.815 15.907 -4.665 106 HB3 GLU 12 1HB GLU 12 -3.871 15.957 -3.254 107 HG2 GLU 12 2HG GLU 12 -4.879 16.871 -5.394 108 HG3 GLU 12 1HG GLU 12 -4.943 17.935 -3.994 109 H SER 13 H SER 13 -3.187 16.876 -0.913 110 HA SER 13 HA SER 13 -4.761 19.280 -0.586 111 HB2 SER 13 2HB SER 13 -5.591 18.279 1.374 112 HB3 SER 13 1HB SER 13 -5.303 16.912 0.303 113 HG SER 13 HG SER 13 -3.317 17.857 2.075 114 H ALA 14 H ALA 14 -1.526 18.450 -0.128 115 HA ALA 14 HA ALA 14 -1.137 20.395 2.045 116 HB1 ALA 14 1HB ALA 14 -0.065 17.930 1.754 117 HB2 ALA 14 2HB ALA 14 0.750 19.240 2.602 118 HB3 ALA 14 3HB ALA 14 1.156 18.892 0.914 119 H SER 15 H SER 15 1.010 21.599 1.784 120 HA SER 15 HA SER 15 0.883 23.112 -0.673 121 HB2 SER 15 2HB SER 15 1.848 23.569 1.946 122 HB3 SER 15 1HB SER 15 3.260 23.613 0.893 123 HG SER 15 HG SER 15 1.853 25.006 -0.479 124 H ARG 16 H ARG 16 2.539 23.130 -2.275 125 HA ARG 16 HA ARG 16 3.574 20.698 -3.001 126 HB2 ARG 16 2HB ARG 16 4.924 23.378 -3.486 127 HB3 ARG 16 1HB ARG 16 5.180 21.903 -4.418 128 HG2 ARG 16 2HG ARG 16 2.468 23.215 -4.118 129 HG3 ARG 16 1HG ARG 16 3.561 23.558 -5.459 130 HD2 ARG 16 2HD ARG 16 3.632 20.973 -5.757 131 HD3 ARG 16 1HD ARG 16 2.166 20.979 -4.781 132 HE ARG 16 HE ARG 16 2.339 21.691 -7.521 133 HH11 ARG 16 1HH2 ARG 16 0.906 22.648 -4.520 134 HH12 ARG 16 2HH2 ARG 16 -0.486 23.370 -5.257 135 HH21 ARG 16 1HH1 ARG 16 0.516 22.632 -8.494 136 HH22 ARG 16 2HH1 ARG 16 -0.707 23.361 -7.506 137 H GLY 17 H GLY 17 4.495 22.751 -0.457 138 HA2 GLY 17 2HA GLY 17 7.191 22.082 -0.060 139 HA3 GLY 17 1HA GLY 17 6.065 22.564 1.209 140 H CYS 18 H CYS 18 4.178 20.461 1.004 141 HA CYS 18 HA CYS 18 5.534 18.414 2.486 142 HB2 CYS 18 2HB CYS 18 2.897 19.165 2.208 143 HB3 CYS 18 1HB CYS 18 2.951 17.668 1.260 144 HG CYS 18 HG CYS 18 3.165 17.849 4.294 145 H LEU 19 H LEU 19 4.629 18.907 -0.856 146 HA LEU 19 HA LEU 19 5.006 16.218 -1.684 147 HB2 LEU 19 2HB LEU 19 3.858 17.965 -3.048 148 HB3 LEU 19 1HB LEU 19 5.423 18.727 -3.323 149 HG LEU 19 HG LEU 19 6.260 16.775 -4.469 150 HD11 LEU 19 1HD1 LEU 19 3.804 15.491 -3.308 151 HD12 LEU 19 2HD1 LEU 19 5.451 14.872 -3.420 152 HD13 LEU 19 3HD1 LEU 19 4.423 14.896 -4.849 153 HD21 LEU 19 3HD2 LEU 19 5.227 17.620 -6.282 154 HD22 LEU 19 1HD2 LEU 19 3.867 18.172 -5.304 155 HD23 LEU 19 2HD2 LEU 19 3.876 16.535 -5.960 156 H ARG 20 H ARG 20 7.167 19.009 -1.429 157 HA ARG 20 HA ARG 20 9.477 17.670 -2.455 158 HB2 ARG 20 2HB ARG 20 9.774 19.969 -2.487 159 HB3 ARG 20 1HB ARG 20 8.960 20.208 -0.947 160 HG2 ARG 20 2HG ARG 20 11.591 18.766 -1.129 161 HG3 ARG 20 1HG ARG 20 11.488 20.517 -0.977 162 HD2 ARG 20 2HD ARG 20 9.724 19.440 0.957 163 HD3 ARG 20 1HD ARG 20 11.224 18.528 1.081 164 HE ARG 20 HE ARG 20 12.360 20.544 1.639 165 HH11 ARG 20 1HH2 ARG 20 8.968 20.937 1.067 166 HH12 ARG 20 2HH2 ARG 20 8.882 22.492 1.824 167 HH21 ARG 20 1HH1 ARG 20 12.251 22.583 2.632 168 HH22 ARG 20 2HH1 ARG 20 10.738 23.422 2.710 169 H SER 21 H SER 21 7.898 17.995 0.615 170 HA SER 21 HA SER 21 9.889 16.950 2.354 171 HB2 SER 21 2HB SER 21 6.915 16.713 2.675 172 HB3 SER 21 1HB SER 21 8.141 16.909 3.931 173 HG SER 21 HG SER 21 8.186 18.873 2.042 174 H LEU 22 H LEU 22 7.054 15.386 0.864 175 HA LEU 22 HA LEU 22 7.695 12.769 1.689 176 HB2 LEU 22 2HB LEU 22 5.717 14.033 0.073 177 HB3 LEU 22 1HB LEU 22 6.402 12.692 -0.847 178 HG LEU 22 HG LEU 22 6.112 11.272 1.239 179 HD11 LEU 22 1HD1 LEU 22 5.056 12.086 3.069 180 HD12 LEU 22 2HD1 LEU 22 3.967 13.102 2.126 181 HD13 LEU 22 3HD1 LEU 22 5.611 13.646 2.465 182 HD21 LEU 22 3HD2 LEU 22 3.522 11.286 0.880 183 HD22 LEU 22 1HD2 LEU 22 4.585 10.806 -0.446 184 HD23 LEU 22 2HD2 LEU 22 3.896 12.436 -0.403 185 H SER 23 H SER 23 8.178 14.384 -1.464 186 HA SER 23 HA SER 23 9.542 12.315 -2.667 187 HB2 SER 23 2HB SER 23 9.178 13.713 -4.326 188 HB3 SER 23 1HB SER 23 9.123 15.114 -3.247 189 HG SER 23 HG SER 23 11.445 14.989 -3.188 190 H LEU 24 H LEU 24 10.679 14.664 -0.386 191 HA LEU 24 HA LEU 24 13.447 14.347 -0.768 192 HB2 LEU 24 2HB LEU 24 11.706 15.519 1.184 193 HB3 LEU 24 1HB LEU 24 12.951 14.575 1.998 194 HG LEU 24 HG LEU 24 13.587 16.964 1.519 195 HD11 LEU 24 1HD1 LEU 24 15.082 14.623 1.353 196 HD12 LEU 24 2HD1 LEU 24 15.725 16.253 1.541 197 HD13 LEU 24 3HD1 LEU 24 15.571 15.547 -0.067 198 HD21 LEU 24 3HD2 LEU 24 13.452 17.821 -0.556 199 HD22 LEU 24 1HD2 LEU 24 12.595 16.355 -1.028 200 HD23 LEU 24 2HD2 LEU 24 14.341 16.460 -1.235 201 H ILE 25 H ILE 25 10.996 12.399 0.829 202 HA ILE 25 HA ILE 25 13.085 10.381 1.395 203 HB ILE 25 HB ILE 25 11.776 11.387 3.376 204 HG12 ILE 25 2HG1 ILE 25 11.344 8.630 3.826 205 HG13 ILE 25 1HG1 ILE 25 12.675 8.716 2.712 206 HG21 ILE 25 1HG2 ILE 25 9.794 9.280 2.911 207 HG22 ILE 25 2HG2 ILE 25 9.603 10.674 1.832 208 HG23 ILE 25 3HG2 ILE 25 9.555 10.892 3.587 209 HD11 ILE 25 3HD1 ILE 25 13.771 8.879 4.777 210 HD12 ILE 25 1HD1 ILE 25 12.454 9.808 5.501 211 HD13 ILE 25 2HD1 ILE 25 13.561 10.579 4.356 212 H ILE 26 H ILE 26 11.345 10.810 -1.083 213 HA ILE 26 HA ILE 26 9.463 8.739 -1.237 214 HB ILE 26 HB ILE 26 10.754 10.669 -2.993 215 HG12 ILE 26 2HG1 ILE 26 8.336 10.599 -2.167 216 HG13 ILE 26 1HG1 ILE 26 8.562 10.884 -3.896 217 HG21 ILE 26 1HG2 ILE 26 10.096 7.969 -4.037 218 HG22 ILE 26 2HG2 ILE 26 11.612 8.833 -4.218 219 HG23 ILE 26 3HG2 ILE 26 10.167 9.378 -5.078 220 HD11 ILE 26 3HD1 ILE 26 7.002 8.901 -2.767 221 HD12 ILE 26 1HD1 ILE 26 8.470 8.069 -3.273 222 HD13 ILE 26 2HD1 ILE 26 7.537 8.996 -4.446 223 H LYS 27 H LYS 27 9.674 6.584 -1.627 224 HA LYS 27 HA LYS 27 12.381 5.633 -2.396 225 HB2 LYS 27 2HB LYS 27 10.453 4.084 -0.658 226 HB3 LYS 27 1HB LYS 27 12.131 3.694 -1.016 227 HG2 LYS 27 2HG LYS 27 11.433 6.319 0.278 228 HG3 LYS 27 1HG LYS 27 11.572 4.856 1.253 229 HD2 LYS 27 2HD LYS 27 13.844 4.504 0.091 230 HD3 LYS 27 1HD LYS 27 13.696 6.181 -0.436 231 HE2 LYS 27 2HE LYS 27 13.876 7.018 1.721 232 HE3 LYS 27 1HE LYS 27 13.261 5.540 2.459 233 HZ1 LYS 27 3HZ LYS 27 15.477 4.643 1.284 234 HZ2 LYS 27 1HZ LYS 27 15.421 5.188 2.889 235 HZ3 LYS 27 2HZ LYS 27 15.960 6.228 1.659 236 H THR 28 H THR 28 12.470 3.742 -3.726 237 HA THR 28 HA THR 28 9.933 3.126 -5.117 238 HB THR 28 HB THR 28 11.048 3.138 -7.237 239 HG1 THR 28 1HG THR 28 13.455 4.073 -6.501 240 HG21 THR 28 3HG2 THR 28 11.697 5.467 -7.420 241 HG22 THR 28 1HG2 THR 28 12.027 5.552 -5.689 242 HG23 THR 28 2HG2 THR 28 10.371 5.350 -6.262 243 H SER 29 H SER 29 9.543 1.021 -5.560 244 HA SER 29 HA SER 29 11.696 -0.942 -5.073 245 HB2 SER 29 2HB SER 29 9.638 -2.364 -4.178 246 HB3 SER 29 1HB SER 29 10.532 -1.288 -3.106 247 HG SER 29 HG SER 29 8.922 0.341 -3.833 248 H PHE 30 H PHE 30 11.744 -2.645 -6.500 249 HA PHE 30 HA PHE 30 9.518 -2.848 -8.427 250 HB2 PHE 30 2HB PHE 30 12.082 -3.433 -9.643 251 HB3 PHE 30 1HB PHE 30 10.815 -2.334 -10.177 252 HD1 PHE 30 1HD PHE 30 13.838 -2.667 -8.089 253 HD2 PHE 30 2HD PHE 30 10.863 0.022 -9.621 254 HE1 PHE 30 1HE PHE 30 15.217 -0.735 -7.368 255 HE2 PHE 30 2HE PHE 30 12.239 1.957 -8.899 256 HZ PHE 30 HZ PHE 30 14.416 1.578 -7.774 257 H CYS 31 H CYS 31 8.996 -4.878 -9.123 258 HA CYS 31 HA CYS 31 10.615 -7.117 -8.061 259 HB2 CYS 31 2HB CYS 31 7.643 -7.322 -8.451 260 HB3 CYS 31 1HB CYS 31 8.705 -8.314 -7.447 261 HG CYS 31 HG CYS 31 9.018 -6.070 -5.940 262 H ALA 32 H ALA 32 10.647 -9.024 -9.301 263 HA ALA 32 HA ALA 32 10.054 -8.583 -12.159 264 HB1 ALA 32 1HB ALA 32 12.310 -9.724 -10.683 265 HB2 ALA 32 2HB ALA 32 12.250 -9.093 -12.331 266 HB3 ALA 32 3HB ALA 32 11.756 -10.754 -12.003 267 HA PRO 33 HA PRO 33 7.329 -12.066 -12.330 268 HB2 PRO 33 2HB PRO 33 8.944 -13.493 -14.346 269 HB3 PRO 33 1HB PRO 33 7.315 -12.812 -14.493 270 HG2 PRO 33 2HG PRO 33 9.455 -11.735 -15.713 271 HG3 PRO 33 1HG PRO 33 8.081 -10.771 -15.149 272 HD2 PRO 33 2HD PRO 33 10.798 -11.071 -13.931 273 HD3 PRO 33 1HD PRO 33 9.732 -9.650 -13.983 274 H GLY 34 H GLY 34 7.164 -13.719 -10.890 275 HA2 GLY 34 2HA GLY 34 7.704 -15.600 -9.659 276 HA3 GLY 34 1HA GLY 34 9.051 -15.866 -10.764 277 H GLU 35 H GLU 35 9.203 -12.732 -9.663 278 HA GLU 35 HA GLU 35 11.526 -13.283 -8.055 279 HB2 GLU 35 2HB GLU 35 10.869 -11.210 -9.609 280 HB3 GLU 35 1HB GLU 35 10.379 -10.581 -8.041 281 HG2 GLU 35 2HG GLU 35 12.605 -9.961 -8.050 282 HG3 GLU 35 1HG GLU 35 12.694 -11.539 -7.277 283 H PHE 36 H PHE 36 11.688 -13.481 -5.916 284 HA PHE 36 HA PHE 36 9.286 -13.366 -4.303 285 HB2 PHE 36 2HB PHE 36 12.044 -13.848 -3.222 286 HB3 PHE 36 1HB PHE 36 10.502 -14.486 -2.652 287 HD1 PHE 36 2HD PHE 36 13.005 -14.670 -5.391 288 HD2 PHE 36 1HD PHE 36 9.549 -16.469 -3.585 289 HE1 PHE 36 2HE PHE 36 13.302 -16.674 -6.821 290 HE2 PHE 36 1HE PHE 36 9.845 -18.474 -5.015 291 HZ PHE 36 HZ PHE 36 11.722 -18.576 -6.633 292 H LEU 37 H LEU 37 8.579 -11.560 -3.366 293 HA LEU 37 HA LEU 37 10.444 -9.356 -2.904 294 HB2 LEU 37 2HB LEU 37 7.998 -9.221 -3.920 295 HB3 LEU 37 1HB LEU 37 7.564 -9.135 -2.213 296 HG LEU 37 HG LEU 37 9.209 -7.281 -1.924 297 HD11 LEU 37 1HD1 LEU 37 10.782 -7.319 -3.599 298 HD12 LEU 37 2HD1 LEU 37 9.648 -6.202 -4.350 299 HD13 LEU 37 3HD1 LEU 37 9.637 -7.906 -4.805 300 HD21 LEU 37 3HD2 LEU 37 7.209 -6.676 -4.115 301 HD22 LEU 37 1HD2 LEU 37 7.770 -5.596 -2.840 302 HD23 LEU 37 2HD2 LEU 37 6.732 -6.964 -2.444 303 H ILE 38 H ILE 38 8.270 -11.514 -1.004 304 HA ILE 38 HA ILE 38 9.782 -10.603 1.313 305 HB ILE 38 HB ILE 38 7.982 -10.276 2.706 306 HG12 ILE 38 2HG1 ILE 38 5.595 -10.825 1.801 307 HG13 ILE 38 1HG1 ILE 38 6.466 -11.975 0.797 308 HG21 ILE 38 1HG2 ILE 38 8.022 -8.399 1.330 309 HG22 ILE 38 2HG2 ILE 38 6.322 -8.869 1.391 310 HG23 ILE 38 3HG2 ILE 38 7.300 -9.262 -0.027 311 HD11 ILE 38 3HD1 ILE 38 7.016 -11.841 3.729 312 HD12 ILE 38 1HD1 ILE 38 7.242 -13.164 2.603 313 HD13 ILE 38 2HD1 ILE 38 5.620 -12.719 3.118 314 H ARG 39 H ARG 39 9.861 -12.015 3.050 315 HA ARG 39 HA ARG 39 9.270 -14.821 2.347 316 HB2 ARG 39 2HB ARG 39 11.646 -14.393 1.979 317 HB3 ARG 39 1HB ARG 39 11.770 -13.731 3.592 318 HG2 ARG 39 2HG ARG 39 12.565 -15.982 3.718 319 HG3 ARG 39 1HG ARG 39 10.979 -15.936 4.484 320 HD2 ARG 39 2HD ARG 39 10.157 -17.398 2.983 321 HD3 ARG 39 1HD ARG 39 10.679 -16.361 1.657 322 HE ARG 39 HE ARG 39 12.087 -18.681 2.703 323 HH11 ARG 39 1HH2 ARG 39 12.212 -15.745 0.872 324 HH12 ARG 39 2HH2 ARG 39 13.628 -16.198 -0.017 325 HH21 ARG 39 1HH1 ARG 39 13.945 -19.278 1.544 326 HH22 ARG 39 2HH1 ARG 39 14.609 -18.198 0.364 327 H GLN 40 H GLN 40 7.867 -15.548 3.751 328 HA GLN 40 HA GLN 40 6.658 -14.665 5.868 329 HB2 GLN 40 2HB GLN 40 6.949 -16.985 6.998 330 HB3 GLN 40 1HB GLN 40 6.194 -16.902 5.406 331 HG2 GLN 40 2HG GLN 40 7.802 -18.657 5.272 332 HG3 GLN 40 1HG GLN 40 8.506 -17.282 4.426 333 HE21 GLN 40 1HE2 GLN 40 10.719 -17.919 4.861 334 HE22 GLN 40 2HE2 GLN 40 11.373 -17.860 6.427 335 H GLY 41 H GLY 41 7.010 -13.797 7.812 336 HA2 GLY 41 2HA GLY 41 8.033 -13.641 9.933 337 HA3 GLY 41 1HA GLY 41 9.444 -14.457 9.286 338 H ASP 42 H ASP 42 8.474 -12.069 7.129 339 HA ASP 42 HA ASP 42 10.741 -10.425 7.894 340 HB2 ASP 42 2HB ASP 42 9.037 -10.712 5.526 341 HB3 ASP 42 1HB ASP 42 9.465 -9.040 5.898 342 H ALA 43 H ALA 43 10.202 -7.915 7.548 343 HA ALA 43 HA ALA 43 7.933 -7.305 9.346 344 HB1 ALA 43 1HB ALA 43 10.784 -6.483 9.410 345 HB2 ALA 43 2HB ALA 43 9.661 -6.763 10.743 346 HB3 ALA 43 3HB ALA 43 9.591 -5.253 9.832 347 H LEU 44 H LEU 44 6.530 -5.797 8.646 348 HA LEU 44 HA LEU 44 7.113 -4.465 6.095 349 HB2 LEU 44 2HB LEU 44 4.943 -5.825 6.672 350 HB3 LEU 44 1HB LEU 44 4.457 -4.330 7.469 351 HG LEU 44 HG LEU 44 5.533 -3.559 4.969 352 HD11 LEU 44 1HD1 LEU 44 5.220 -5.973 4.334 353 HD12 LEU 44 2HD1 LEU 44 4.263 -4.852 3.366 354 HD13 LEU 44 3HD1 LEU 44 3.496 -5.780 4.655 355 HD21 LEU 44 3HD2 LEU 44 3.669 -2.535 6.289 356 HD22 LEU 44 1HD2 LEU 44 2.629 -3.864 5.777 357 HD23 LEU 44 2HD2 LEU 44 3.283 -2.743 4.582 358 H GLN 45 H GLN 45 7.810 -2.436 6.122 359 HA GLN 45 HA GLN 45 6.947 -0.674 8.337 360 HB2 GLN 45 2HB GLN 45 9.239 -1.098 8.762 361 HB3 GLN 45 1HB GLN 45 9.662 -0.967 7.055 362 HG2 GLN 45 2HG GLN 45 9.424 1.370 7.045 363 HG3 GLN 45 1HG GLN 45 8.439 1.370 8.508 364 HE21 GLN 45 1HE2 GLN 45 9.763 0.291 10.485 365 HE22 GLN 45 2HE2 GLN 45 11.354 0.862 10.649 366 H ALA 46 H ALA 46 7.871 -0.956 4.944 367 HA ALA 46 HA ALA 46 6.818 1.754 4.445 368 HB1 ALA 46 1HB ALA 46 8.093 0.336 2.211 369 HB2 ALA 46 2HB ALA 46 9.155 0.598 3.595 370 HB3 ALA 46 3HB ALA 46 8.369 1.970 2.815 371 H ILE 47 H ILE 47 5.285 2.110 2.815 372 HA ILE 47 HA ILE 47 3.628 -0.246 2.174 373 HB ILE 47 HB ILE 47 2.368 1.440 3.299 374 HG12 ILE 47 2HG1 ILE 47 1.903 1.816 0.323 375 HG13 ILE 47 1HG1 ILE 47 1.301 0.452 1.268 376 HG21 ILE 47 1HG2 ILE 47 3.493 3.406 1.281 377 HG22 ILE 47 2HG2 ILE 47 3.996 3.280 2.966 378 HG23 ILE 47 3HG2 ILE 47 2.354 3.787 2.572 379 HD11 ILE 47 3HD1 ILE 47 -0.326 1.697 2.272 380 HD12 ILE 47 1HD1 ILE 47 -0.109 2.751 0.875 381 HD13 ILE 47 2HD1 ILE 47 0.704 3.122 2.394 382 H TYR 48 H TYR 48 3.276 -0.860 0.065 383 HA TYR 48 HA TYR 48 4.590 0.794 -2.004 384 HB2 TYR 48 2HB TYR 48 4.164 -2.071 -2.625 385 HB3 TYR 48 1HB TYR 48 5.501 -1.013 -3.031 386 HD1 TYR 48 1HD TYR 48 4.044 -2.189 0.268 387 HD2 TYR 48 2HD TYR 48 7.495 -1.843 -2.261 388 HE1 TYR 48 1HE TYR 48 5.428 -3.221 2.029 389 HE2 TYR 48 2HE TYR 48 8.884 -2.883 -0.492 390 HH TYR 48 HH TYR 48 8.924 -3.745 1.543 391 H PHE 49 H PHE 49 3.732 0.764 -4.100 392 HA PHE 49 HA PHE 49 0.872 0.014 -4.328 393 HB2 PHE 49 2HB PHE 49 1.849 2.620 -4.289 394 HB3 PHE 49 1HB PHE 49 1.735 2.254 -6.007 395 HD1 PHE 49 1HD PHE 49 -0.493 1.503 -6.996 396 HD2 PHE 49 2HD PHE 49 -0.093 2.942 -2.956 397 HE1 PHE 49 1HE PHE 49 -2.930 1.911 -6.890 398 HE2 PHE 49 2HE PHE 49 -2.536 3.327 -2.857 399 HZ PHE 49 HZ PHE 49 -3.957 2.813 -4.823 400 H VAL 50 H VAL 50 0.309 -0.811 -6.395 401 HA VAL 50 HA VAL 50 2.597 -1.465 -8.096 402 HB VAL 50 HB VAL 50 0.224 -2.855 -7.192 403 HG11 VAL 50 1HG1 VAL 50 -0.509 -2.253 -9.423 404 HG12 VAL 50 2HG1 VAL 50 -0.257 -3.988 -9.297 405 HG13 VAL 50 3HG1 VAL 50 0.928 -2.972 -10.128 406 HG21 VAL 50 3HG2 VAL 50 1.642 -4.805 -8.031 407 HG22 VAL 50 1HG2 VAL 50 2.381 -3.791 -6.792 408 HG23 VAL 50 2HG2 VAL 50 2.856 -3.608 -8.481 409 H CYS 51 H CYS 51 2.808 -0.502 -10.025 410 HA CYS 51 HA CYS 51 0.664 1.296 -10.893 411 HB2 CYS 51 2HB CYS 51 3.179 1.912 -10.738 412 HB3 CYS 51 1HB CYS 51 3.339 1.003 -12.241 413 HG CYS 51 HG CYS 51 2.514 3.767 -12.256 414 H SER 52 H SER 52 2.414 -1.564 -11.926 415 HA SER 52 HA SER 52 0.323 -2.448 -13.631 416 HB2 SER 52 2HB SER 52 2.347 -0.713 -14.816 417 HB3 SER 52 1HB SER 52 2.286 -2.292 -15.594 418 HG SER 52 HG SER 52 0.785 -0.626 -16.389 419 H GLY 53 H GLY 53 0.559 -4.607 -14.024 420 HA2 GLY 53 2HA GLY 53 2.300 -6.377 -14.598 421 HA3 GLY 53 1HA GLY 53 3.094 -5.838 -13.119 422 H SER 54 H SER 54 2.843 -8.064 -12.339 423 HA SER 54 HA SER 54 0.239 -8.385 -11.018 424 HB2 SER 54 2HB SER 54 -0.220 -10.523 -11.849 425 HB3 SER 54 1HB SER 54 0.331 -9.649 -13.276 426 HG SER 54 HG SER 54 1.492 -11.510 -13.241 427 H MET 55 H MET 55 0.348 -9.371 -9.032 428 HA MET 55 HA MET 55 2.719 -10.883 -8.286 429 HB2 MET 55 2HB MET 55 2.753 -9.255 -6.150 430 HB3 MET 55 1HB MET 55 3.763 -8.981 -7.567 431 HG2 MET 55 2HG MET 55 2.499 -7.215 -8.304 432 HG3 MET 55 1HG MET 55 1.003 -7.868 -7.636 433 HE1 MET 55 3HE MET 55 4.140 -7.885 -5.182 434 HE2 MET 55 1HE MET 55 4.430 -6.143 -5.131 435 HE3 MET 55 2HE MET 55 4.521 -7.010 -6.662 436 H GLU 56 H GLU 56 2.525 -11.869 -6.138 437 HA GLU 56 HA GLU 56 0.043 -11.680 -4.708 438 HB2 GLU 56 2HB GLU 56 -0.578 -14.111 -5.165 439 HB3 GLU 56 1HB GLU 56 -0.899 -12.960 -6.462 440 HG2 GLU 56 2HG GLU 56 0.177 -15.030 -7.310 441 HG3 GLU 56 1HG GLU 56 1.179 -13.609 -7.601 442 H VAL 57 H VAL 57 0.022 -12.920 -2.763 443 HA VAL 57 HA VAL 57 2.703 -13.826 -1.944 444 HB VAL 57 HB VAL 57 2.107 -13.425 0.267 445 HG11 VAL 57 1HG1 VAL 57 1.476 -11.433 -1.636 446 HG12 VAL 57 2HG1 VAL 57 1.881 -11.201 0.064 447 HG13 VAL 57 3HG1 VAL 57 0.198 -11.375 -0.424 448 HG21 VAL 57 3HG2 VAL 57 -0.438 -13.032 0.786 449 HG22 VAL 57 1HG2 VAL 57 0.183 -14.673 0.631 450 HG23 VAL 57 2HG2 VAL 57 -0.680 -13.931 -0.710 451 H LEU 58 H LEU 58 3.117 -15.947 -1.543 452 HA LEU 58 HA LEU 58 0.925 -17.849 -1.977 453 HB2 LEU 58 2HB LEU 58 3.644 -17.686 -2.899 454 HB3 LEU 58 1HB LEU 58 3.399 -19.193 -2.018 455 HG LEU 58 HG LEU 58 1.720 -18.172 -4.328 456 HD11 LEU 58 1HD1 LEU 58 3.604 -20.530 -4.034 457 HD12 LEU 58 2HD1 LEU 58 3.892 -19.086 -5.005 458 HD13 LEU 58 3HD1 LEU 58 2.604 -20.207 -5.450 459 HD21 LEU 58 3HD2 LEU 58 1.086 -20.837 -3.819 460 HD22 LEU 58 1HD2 LEU 58 0.090 -19.444 -3.398 461 HD23 LEU 58 2HD2 LEU 58 1.200 -20.125 -2.209 462 H LYS 59 H LYS 59 0.176 -18.978 -0.347 463 HA LYS 59 HA LYS 59 1.903 -20.031 1.674 464 HB2 LYS 59 2HB LYS 59 1.759 -17.920 2.688 465 HB3 LYS 59 1HB LYS 59 0.064 -17.751 2.306 466 HG2 LYS 59 2HG LYS 59 0.318 -18.274 4.682 467 HG3 LYS 59 1HG LYS 59 -0.459 -19.620 3.860 468 HD2 LYS 59 2HD LYS 59 1.236 -20.520 5.332 469 HD3 LYS 59 1HD LYS 59 1.805 -20.719 3.682 470 HE2 LYS 59 2HE LYS 59 3.533 -19.822 5.294 471 HE3 LYS 59 1HE LYS 59 3.271 -18.814 3.869 472 HZ1 LYS 59 3HZ LYS 59 3.229 -17.841 6.313 473 HZ2 LYS 59 1HZ LYS 59 1.602 -18.303 6.214 474 HZ3 LYS 59 2HZ LYS 59 2.242 -17.212 5.081 475 H ASP 60 H ASP 60 0.995 -21.752 2.748 476 HA ASP 60 HA ASP 60 -0.432 -23.502 3.115 477 HB2 ASP 60 2HB ASP 60 -2.272 -21.152 2.950 478 HB3 ASP 60 1HB ASP 60 -2.958 -22.774 3.009 479 H ASN 61 H ASN 61 0.588 -23.299 0.527 480 HA ASN 61 HA ASN 61 0.320 -24.307 -1.515 481 HB2 ASN 61 2HB ASN 61 -1.300 -25.743 0.199 482 HB3 ASN 61 1HB ASN 61 -2.389 -25.315 -1.118 483 HD21 ASN 61 1HD2 ASN 61 0.153 -27.447 -0.193 484 HD22 ASN 61 2HD2 ASN 61 0.423 -28.138 -1.720 485 H THR 62 H THR 62 -1.687 -21.867 -0.396 486 HA THR 62 HA THR 62 -2.685 -21.414 -3.143 487 HB THR 62 HB THR 62 -4.214 -20.682 -0.660 488 HG1 THR 62 1HG THR 62 -3.930 -23.018 -1.202 489 HG21 THR 62 3HG2 THR 62 -4.985 -20.788 -3.593 490 HG22 THR 62 1HG2 THR 62 -4.665 -19.304 -2.685 491 HG23 THR 62 2HG2 THR 62 -6.049 -20.322 -2.269 492 H VAL 63 H VAL 63 -3.014 -19.219 -3.715 493 HA VAL 63 HA VAL 63 -1.027 -17.473 -2.647 494 HB VAL 63 HB VAL 63 -2.748 -15.903 -4.139 495 HG11 VAL 63 1HG1 VAL 63 -0.463 -17.621 -5.140 496 HG12 VAL 63 2HG1 VAL 63 -0.266 -16.093 -4.286 497 HG13 VAL 63 3HG1 VAL 63 -1.045 -16.126 -5.868 498 HG21 VAL 63 3HG2 VAL 63 -4.039 -18.014 -4.613 499 HG22 VAL 63 1HG2 VAL 63 -2.578 -18.675 -5.343 500 HG23 VAL 63 2HG2 VAL 63 -3.363 -17.269 -6.064 501 H LEU 64 H LEU 64 -1.253 -16.482 -0.735 502 HA LEU 64 HA LEU 64 -3.808 -16.286 0.537 503 HB2 LEU 64 2HB LEU 64 -1.143 -16.199 1.362 504 HB3 LEU 64 1HB LEU 64 -1.746 -14.575 1.682 505 HG LEU 64 HG LEU 64 -3.822 -16.052 2.639 506 HD11 LEU 64 1HD1 LEU 64 -2.077 -18.047 2.082 507 HD12 LEU 64 2HD1 LEU 64 -3.202 -18.117 3.439 508 HD13 LEU 64 3HD1 LEU 64 -1.530 -17.621 3.708 509 HD21 LEU 64 3HD2 LEU 64 -2.508 -15.844 4.889 510 HD22 LEU 64 1HD2 LEU 64 -2.916 -14.373 4.006 511 HD23 LEU 64 2HD2 LEU 64 -1.286 -15.040 3.905 512 H ALA 65 H ALA 65 -2.180 -14.444 -1.766 513 HA ALA 65 HA ALA 65 -4.213 -12.365 -1.554 514 HB1 ALA 65 1HB ALA 65 -2.862 -10.579 -1.093 515 HB2 ALA 65 2HB ALA 65 -1.452 -11.313 -1.856 516 HB3 ALA 65 3HB ALA 65 -1.941 -11.815 -0.238 517 H ILE 66 H ILE 66 -4.844 -11.721 -3.510 518 HA ILE 66 HA ILE 66 -3.069 -12.284 -5.804 519 HB ILE 66 HB ILE 66 -6.030 -12.776 -5.502 520 HG12 ILE 66 2HG1 ILE 66 -5.095 -14.928 -6.743 521 HG13 ILE 66 1HG1 ILE 66 -3.564 -14.396 -6.047 522 HG21 ILE 66 1HG2 ILE 66 -6.019 -11.707 -7.581 523 HG22 ILE 66 2HG2 ILE 66 -5.735 -13.387 -8.039 524 HG23 ILE 66 3HG2 ILE 66 -4.386 -12.252 -7.964 525 HD11 ILE 66 3HD1 ILE 66 -4.496 -14.437 -3.813 526 HD12 ILE 66 1HD1 ILE 66 -4.833 -15.985 -4.577 527 HD13 ILE 66 2HD1 ILE 66 -6.107 -14.775 -4.443 528 H LEU 67 H LEU 67 -2.403 -10.202 -6.363 529 HA LEU 67 HA LEU 67 -4.569 -8.254 -6.793 530 HB2 LEU 67 2HB LEU 67 -2.495 -6.630 -6.118 531 HB3 LEU 67 1HB LEU 67 -3.791 -7.107 -5.026 532 HG LEU 67 HG LEU 67 -2.374 -9.110 -4.394 533 HD11 LEU 67 1HD1 LEU 67 -0.991 -8.587 -6.609 534 HD12 LEU 67 2HD1 LEU 67 -0.231 -9.359 -5.213 535 HD13 LEU 67 3HD1 LEU 67 -0.024 -7.628 -5.489 536 HD21 LEU 67 3HD2 LEU 67 -2.373 -6.554 -3.412 537 HD22 LEU 67 1HD2 LEU 67 -0.660 -6.782 -3.763 538 HD23 LEU 67 2HD2 LEU 67 -1.493 -7.892 -2.675 539 H GLY 68 H GLY 68 -4.020 -6.455 -8.204 540 HA2 GLY 68 2HA GLY 68 -1.866 -7.040 -10.126 541 HA3 GLY 68 1HA GLY 68 -3.511 -6.822 -10.708 542 H LYS 69 H LYS 69 -2.819 -5.046 -11.952 543 HA LYS 69 HA LYS 69 -1.405 -2.828 -11.309 544 HB2 LYS 69 2HB LYS 69 -3.970 -2.653 -12.857 545 HB3 LYS 69 1HB LYS 69 -2.471 -1.770 -13.098 546 HG2 LYS 69 2HG LYS 69 -1.354 -3.984 -13.608 547 HG3 LYS 69 1HG LYS 69 -2.963 -4.706 -13.612 548 HD2 LYS 69 2HD LYS 69 -3.563 -2.824 -15.300 549 HD3 LYS 69 1HD LYS 69 -1.818 -2.655 -15.500 550 HE2 LYS 69 2HE LYS 69 -3.615 -4.841 -16.371 551 HE3 LYS 69 1HE LYS 69 -2.099 -4.281 -17.076 552 HZ1 LYS 69 3HZ LYS 69 -1.495 -6.305 -16.224 553 HZ2 LYS 69 1HZ LYS 69 -2.536 -6.194 -14.890 554 HZ3 LYS 69 2HZ LYS 69 -1.100 -5.289 -14.921 555 H GLY 70 H GLY 70 -1.568 -1.165 -9.971 556 HA2 GLY 70 2HA GLY 70 -2.540 0.599 -8.826 557 HA3 GLY 70 1HA GLY 70 -4.119 -0.032 -9.238 558 H ASP 71 H ASP 71 -2.874 -2.706 -8.093 559 HA ASP 71 HA ASP 71 -4.235 -2.660 -5.657 560 HB2 ASP 71 2HB ASP 71 -3.229 -4.751 -5.184 561 HB3 ASP 71 1HB ASP 71 -3.426 -4.691 -6.936 562 H LEU 72 H LEU 72 -3.523 -2.608 -3.499 563 HA LEU 72 HA LEU 72 -0.975 -1.166 -3.096 564 HB2 LEU 72 2HB LEU 72 -2.910 0.265 -2.595 565 HB3 LEU 72 1HB LEU 72 -3.528 -0.952 -1.479 566 HG LEU 72 HG LEU 72 -1.165 -0.729 -0.354 567 HD11 LEU 72 1HD1 LEU 72 0.015 1.248 -0.710 568 HD12 LEU 72 2HD1 LEU 72 -1.374 2.060 -1.434 569 HD13 LEU 72 3HD1 LEU 72 -0.501 0.822 -2.339 570 HD21 LEU 72 3HD2 LEU 72 -3.353 1.361 -0.176 571 HD22 LEU 72 1HD2 LEU 72 -2.047 1.211 0.998 572 HD23 LEU 72 2HD2 LEU 72 -3.203 -0.103 0.795 573 H ILE 73 H ILE 73 0.393 -1.906 -1.558 574 HA ILE 73 HA ILE 73 -0.393 -4.357 -0.144 575 HB ILE 73 HB ILE 73 1.257 -4.859 -1.824 576 HG12 ILE 73 2HG1 ILE 73 3.214 -5.530 -0.396 577 HG13 ILE 73 1HG1 ILE 73 2.477 -4.645 0.939 578 HG21 ILE 73 1HG2 ILE 73 2.255 -2.318 -0.906 579 HG22 ILE 73 2HG2 ILE 73 2.311 -3.060 -2.503 580 HG23 ILE 73 3HG2 ILE 73 3.493 -3.524 -1.273 581 HD11 ILE 73 3HD1 ILE 73 1.132 -6.906 -0.568 582 HD12 ILE 73 1HD1 ILE 73 0.509 -6.083 0.860 583 HD13 ILE 73 2HD1 ILE 73 1.949 -7.090 0.983 584 H GLY 74 H GLY 74 -0.014 -4.517 2.015 585 HA2 GLY 74 2HA GLY 74 1.479 -3.808 3.898 586 HA3 GLY 74 1HA GLY 74 1.203 -2.161 3.336 587 H SER 75 H SER 75 0.566 -3.427 5.953 588 HA SER 75 HA SER 75 -2.287 -3.738 6.070 589 HB2 SER 75 2HB SER 75 -1.489 -3.296 8.656 590 HB3 SER 75 1HB SER 75 -1.514 -4.867 7.859 591 HG SER 75 HG SER 75 0.539 -4.641 8.554 592 H ASP 76 H ASP 76 -3.812 -2.386 6.796 593 HA ASP 76 HA ASP 76 -3.464 0.418 6.460 594 HB2 ASP 76 2HB ASP 76 -5.755 0.551 6.640 595 HB3 ASP 76 1HB ASP 76 -5.581 -1.145 6.196 596 H SER 77 H SER 77 -5.024 1.538 8.442 597 HA SER 77 HA SER 77 -5.025 2.317 10.614 598 HB2 SER 77 2HB SER 77 -4.686 -0.197 11.133 599 HB3 SER 77 1HB SER 77 -2.995 0.232 11.370 600 HG SER 77 HG SER 77 -4.000 0.470 13.326 601 H LEU 78 H LEU 78 -3.420 3.458 8.681 602 HA LEU 78 HA LEU 78 -0.736 3.880 9.559 603 HB2 LEU 78 2HB LEU 78 -2.534 5.080 7.508 604 HB3 LEU 78 1HB LEU 78 -1.133 6.019 8.023 605 HG LEU 78 HG LEU 78 0.276 3.953 7.606 606 HD11 LEU 78 1HD1 LEU 78 -2.348 2.865 7.193 607 HD12 LEU 78 2HD1 LEU 78 -0.798 2.021 7.189 608 HD13 LEU 78 3HD1 LEU 78 -1.428 2.714 5.695 609 HD21 LEU 78 3HD2 LEU 78 -0.259 4.187 4.963 610 HD22 LEU 78 1HD2 LEU 78 0.608 5.417 5.874 611 HD23 LEU 78 2HD2 LEU 78 -1.122 5.611 5.560 612 H THR 79 H THR 79 -3.616 4.752 10.894 613 HA THR 79 HA THR 79 -3.667 7.383 11.512 614 HB THR 79 HB THR 79 -4.156 5.921 13.941 615 HG1 THR 79 1HG THR 79 -4.851 4.738 11.491 616 HG21 THR 79 3HG2 THR 79 -6.417 6.701 13.561 617 HG22 THR 79 1HG2 THR 79 -6.075 6.991 11.856 618 HG23 THR 79 2HG2 THR 79 -5.305 7.987 13.091 619 H LYS 80 H LYS 80 -1.957 5.054 13.684 620 HA LYS 80 HA LYS 80 -0.201 7.335 14.389 621 HB2 LYS 80 2HB LYS 80 -1.652 7.003 16.263 622 HB3 LYS 80 1HB LYS 80 -1.419 5.256 16.207 623 HG2 LYS 80 2HG LYS 80 1.086 6.765 16.428 624 HG3 LYS 80 1HG LYS 80 0.019 6.968 17.807 625 HD2 LYS 80 2HD LYS 80 0.023 4.705 18.344 626 HD3 LYS 80 1HD LYS 80 0.471 4.218 16.708 627 HE2 LYS 80 2HE LYS 80 2.465 3.925 17.897 628 HE3 LYS 80 1HE LYS 80 2.665 5.517 17.174 629 HZ1 LYS 80 3HZ LYS 80 3.070 5.113 19.723 630 HZ2 LYS 80 1HZ LYS 80 1.394 5.358 19.799 631 HZ3 LYS 80 2HZ LYS 80 2.399 6.566 19.152 632 H GLU 81 H GLU 81 -0.446 3.977 13.562 633 HA GLU 81 HA GLU 81 2.347 3.823 13.025 634 HB2 GLU 81 2HB GLU 81 2.272 3.623 15.557 635 HB3 GLU 81 1HB GLU 81 1.435 2.089 15.323 636 HG2 GLU 81 2HG GLU 81 3.315 1.023 14.609 637 HG3 GLU 81 1HG GLU 81 3.885 2.423 13.704 638 H GLN 82 H GLN 82 2.908 1.284 12.878 639 HA GLN 82 HA GLN 82 0.840 -0.488 12.160 640 HB2 GLN 82 2HB GLN 82 0.282 0.603 10.233 641 HB3 GLN 82 1HB GLN 82 1.884 1.258 10.015 642 HG2 GLN 82 2HG GLN 82 1.599 -1.680 9.823 643 HG3 GLN 82 1HG GLN 82 0.977 -0.682 8.518 644 HE21 GLN 82 1HE2 GLN 82 3.632 -2.416 9.145 645 HE22 GLN 82 2HE2 GLN 82 4.824 -1.441 8.429 646 H VAL 83 H VAL 83 1.927 -2.137 13.066 647 HA VAL 83 HA VAL 83 4.570 -2.791 11.915 648 HB VAL 83 HB VAL 83 5.268 -3.654 14.057 649 HG11 VAL 83 1HG1 VAL 83 4.342 -0.902 13.680 650 HG12 VAL 83 2HG1 VAL 83 5.868 -1.491 14.347 651 HG13 VAL 83 3HG1 VAL 83 4.447 -1.353 15.385 652 HG21 VAL 83 3HG2 VAL 83 3.593 -4.542 15.316 653 HG22 VAL 83 1HG2 VAL 83 2.376 -3.492 14.588 654 HG23 VAL 83 2HG2 VAL 83 3.373 -2.898 15.915 655 H ILE 84 H ILE 84 4.111 -4.396 10.502 656 HA ILE 84 HA ILE 84 2.740 -6.743 11.617 657 HB ILE 84 HB ILE 84 2.143 -5.389 8.986 658 HG12 ILE 84 2HG1 ILE 84 -0.222 -5.800 9.930 659 HG13 ILE 84 1HG1 ILE 84 0.580 -6.166 11.457 660 HG21 ILE 84 1HG2 ILE 84 2.458 -7.780 8.552 661 HG22 ILE 84 2HG2 ILE 84 0.740 -7.386 8.493 662 HG23 ILE 84 3HG2 ILE 84 1.414 -8.185 9.913 663 HD11 ILE 84 3HD1 ILE 84 -0.015 -3.594 10.330 664 HD12 ILE 84 1HD1 ILE 84 1.735 -3.765 10.461 665 HD13 ILE 84 2HD1 ILE 84 0.720 -3.964 11.889 666 H LYS 85 H LYS 85 3.775 -8.617 11.235 667 HA LYS 85 HA LYS 85 6.120 -8.515 9.466 668 HB2 LYS 85 2HB LYS 85 6.413 -10.879 10.650 669 HB3 LYS 85 1HB LYS 85 6.930 -9.384 11.420 670 HG2 LYS 85 2HG LYS 85 5.153 -9.343 12.881 671 HG3 LYS 85 1HG LYS 85 4.111 -10.266 11.804 672 HD2 LYS 85 2HD LYS 85 4.841 -12.268 12.608 673 HD3 LYS 85 1HD LYS 85 6.514 -11.716 12.706 674 HE2 LYS 85 2HE LYS 85 5.141 -12.213 14.908 675 HE3 LYS 85 1HE LYS 85 6.262 -10.857 14.825 676 HZ1 LYS 85 3HZ LYS 85 3.981 -10.353 15.719 677 HZ2 LYS 85 1HZ LYS 85 3.393 -10.597 14.147 678 HZ3 LYS 85 2HZ LYS 85 4.512 -9.355 14.452 679 H THR 86 H THR 86 6.150 -9.591 7.587 680 HA THR 86 HA THR 86 3.748 -10.834 6.640 681 HB THR 86 HB THR 86 5.129 -11.227 4.584 682 HG1 THR 86 1HG THR 86 7.136 -9.718 5.813 683 HG21 THR 86 3HG2 THR 86 5.746 -8.437 5.295 684 HG22 THR 86 1HG2 THR 86 4.078 -8.930 5.579 685 HG23 THR 86 2HG2 THR 86 4.777 -9.076 3.966 686 H ASN 87 H ASN 87 3.145 -12.814 7.181 687 HA ASN 87 HA ASN 87 5.154 -14.796 7.971 688 HB2 ASN 87 2HB ASN 87 2.591 -14.141 8.905 689 HB3 ASN 87 1HB ASN 87 2.412 -15.711 8.120 690 HD21 ASN 87 1HD2 ASN 87 5.191 -14.327 9.958 691 HD22 ASN 87 2HD2 ASN 87 5.257 -15.593 11.086 692 H ALA 88 H ALA 88 3.543 -13.911 5.196 693 HA ALA 88 HA ALA 88 3.493 -16.661 4.117 694 HB1 ALA 88 1HB ALA 88 1.953 -14.189 3.540 695 HB2 ALA 88 2HB ALA 88 1.447 -15.879 3.437 696 HB3 ALA 88 3HB ALA 88 2.405 -15.158 2.136 697 H ASN 89 H ASN 89 3.869 -16.153 1.431 698 HA ASN 89 HA ASN 89 6.544 -14.863 1.381 699 HB2 ASN 89 2HB ASN 89 5.691 -17.547 0.545 700 HB3 ASN 89 1HB ASN 89 6.585 -16.672 -0.698 701 HD21 ASN 89 1HD2 ASN 89 6.794 -17.669 2.748 702 HD22 ASN 89 2HD2 ASN 89 8.491 -17.685 2.793 703 H VAL 90 H VAL 90 6.797 -13.286 -0.224 704 HA VAL 90 HA VAL 90 4.523 -12.940 -2.011 705 HB VAL 90 HB VAL 90 6.636 -11.088 -1.007 706 HG11 VAL 90 1HG1 VAL 90 6.484 -10.672 -3.290 707 HG12 VAL 90 2HG1 VAL 90 5.483 -9.430 -2.532 708 HG13 VAL 90 3HG1 VAL 90 4.735 -10.826 -3.313 709 HG21 VAL 90 3HG2 VAL 90 4.375 -11.613 0.211 710 HG22 VAL 90 1HG2 VAL 90 3.669 -10.629 -1.071 711 HG23 VAL 90 2HG2 VAL 90 4.871 -9.930 0.016 712 H LYS 91 H LYS 91 4.704 -13.246 -4.094 713 HA LYS 91 HA LYS 91 7.369 -13.219 -5.320 714 HB2 LYS 91 2HB LYS 91 6.834 -15.576 -4.806 715 HB3 LYS 91 1HB LYS 91 5.331 -15.422 -5.716 716 HG2 LYS 91 2HG LYS 91 6.561 -14.951 -7.762 717 HG3 LYS 91 1HG LYS 91 8.089 -14.944 -6.879 718 HD2 LYS 91 2HD LYS 91 8.068 -17.115 -7.733 719 HD3 LYS 91 1HD LYS 91 7.340 -17.360 -6.145 720 HE2 LYS 91 2HE LYS 91 5.080 -16.959 -7.318 721 HE3 LYS 91 1HE LYS 91 5.963 -17.198 -8.826 722 HZ1 LYS 91 3HZ LYS 91 6.820 -19.286 -7.441 723 HZ2 LYS 91 1HZ LYS 91 5.439 -19.337 -8.424 724 HZ3 LYS 91 2HZ LYS 91 5.279 -19.113 -6.747 725 H ALA 92 H ALA 92 7.301 -11.804 -6.924 726 HA ALA 92 HA ALA 92 4.880 -10.783 -8.011 727 HB1 ALA 92 1HB ALA 92 7.763 -10.336 -8.366 728 HB2 ALA 92 2HB ALA 92 6.433 -9.178 -8.400 729 HB3 ALA 92 3HB ALA 92 6.821 -10.117 -9.841 730 H LEU 93 H LEU 93 3.608 -11.770 -9.425 731 HA LEU 93 HA LEU 93 4.357 -14.188 -10.738 732 HB2 LEU 93 2HB LEU 93 1.955 -12.592 -10.369 733 HB3 LEU 93 1HB LEU 93 2.070 -13.226 -12.010 734 HG LEU 93 HG LEU 93 2.245 -15.481 -11.226 735 HD11 LEU 93 1HD1 LEU 93 3.048 -14.128 -8.725 736 HD12 LEU 93 2HD1 LEU 93 3.544 -15.694 -9.367 737 HD13 LEU 93 3HD1 LEU 93 2.018 -15.542 -8.499 738 HD21 LEU 93 3HD2 LEU 93 -0.034 -14.933 -11.193 739 HD22 LEU 93 1HD2 LEU 93 0.159 -13.796 -9.859 740 HD23 LEU 93 2HD2 LEU 93 0.222 -15.532 -9.554 741 H THR 94 H THR 94 3.732 -10.880 -11.855 742 HA THR 94 HA THR 94 5.338 -11.463 -14.263 743 HB THR 94 HB THR 94 3.841 -9.979 -15.553 744 HG1 THR 94 1HG THR 94 3.059 -8.786 -13.770 745 HG21 THR 94 3HG2 THR 94 1.696 -11.599 -14.992 746 HG22 THR 94 1HG2 THR 94 3.041 -12.539 -14.343 747 HG23 THR 94 2HG2 THR 94 3.045 -12.047 -16.036 748 H TYR 95 H TYR 95 6.620 -9.716 -15.002 749 HA TYR 95 HA TYR 95 7.847 -8.138 -13.125 750 HB2 TYR 95 2HB TYR 95 7.809 -6.575 -15.478 751 HB3 TYR 95 1HB TYR 95 9.077 -7.677 -14.943 752 HD1 TYR 95 2HD TYR 95 5.590 -8.088 -16.286 753 HD2 TYR 95 1HD TYR 95 9.738 -9.154 -16.612 754 HE1 TYR 95 2HE TYR 95 5.050 -9.616 -18.164 755 HE2 TYR 95 1HE TYR 95 9.199 -10.680 -18.491 756 HH TYR 95 HH TYR 95 6.989 -11.993 -19.215 757 H CYS 96 H CYS 96 7.068 -6.650 -11.797 758 HA CYS 96 HA CYS 96 5.034 -4.788 -12.829 759 HB2 CYS 96 2HB CYS 96 4.103 -6.651 -11.332 760 HB3 CYS 96 1HB CYS 96 4.964 -5.857 -10.014 761 HG CYS 96 HG CYS 96 3.359 -3.927 -10.087 762 H ASP 97 H ASP 97 5.368 -2.703 -12.374 763 HA ASP 97 HA ASP 97 7.754 -1.993 -10.836 764 HB2 ASP 97 2HB ASP 97 7.751 -0.715 -12.768 765 HB3 ASP 97 1HB ASP 97 5.992 -0.604 -12.817 766 H LEU 98 H LEU 98 7.643 -1.246 -8.785 767 HA LEU 98 HA LEU 98 5.004 -0.328 -7.823 768 HB2 LEU 98 2HB LEU 98 6.937 -1.793 -6.050 769 HB3 LEU 98 1HB LEU 98 5.206 -1.546 -5.836 770 HG LEU 98 HG LEU 98 5.070 -2.893 -8.123 771 HD11 LEU 98 1HD1 LEU 98 7.373 -3.177 -8.606 772 HD12 LEU 98 2HD1 LEU 98 6.863 -4.735 -7.961 773 HD13 LEU 98 3HD1 LEU 98 7.758 -3.608 -6.940 774 HD21 LEU 98 3HD2 LEU 98 4.528 -4.817 -6.865 775 HD22 LEU 98 1HD2 LEU 98 4.266 -3.497 -5.725 776 HD23 LEU 98 2HD2 LEU 98 5.739 -4.460 -5.633 777 H GLN 99 H GLN 99 4.993 1.170 -6.132 778 HA GLN 99 HA GLN 99 7.545 2.589 -5.672 779 HB2 GLN 99 2HB GLN 99 4.863 3.970 -5.777 780 HB3 GLN 99 1HB GLN 99 6.473 4.689 -5.855 781 HG2 GLN 99 2HG GLN 99 6.449 2.894 -7.983 782 HG3 GLN 99 1HG GLN 99 4.831 3.593 -8.006 783 HE21 GLN 99 1HE2 GLN 99 4.912 6.156 -7.651 784 HE22 GLN 99 2HE2 GLN 99 6.107 6.960 -8.550 785 H TYR 100 H TYR 100 7.988 2.997 -3.555 786 HA TYR 100 HA TYR 100 5.831 2.851 -1.608 787 HB2 TYR 100 2HB TYR 100 6.846 1.190 -0.229 788 HB3 TYR 100 1HB TYR 100 6.749 0.512 -1.846 789 HD1 TYR 100 2HD TYR 100 9.227 2.556 -2.651 790 HD2 TYR 100 1HD TYR 100 8.562 -0.538 0.245 791 HE1 TYR 100 2HE TYR 100 11.655 2.091 -2.580 792 HE2 TYR 100 1HE TYR 100 10.990 -1.006 0.299 793 HH TYR 100 HH TYR 100 12.962 -0.683 -1.218 794 H ILE 101 H ILE 101 6.618 3.322 0.605 795 HA ILE 101 HA ILE 101 9.042 4.889 0.798 796 HB ILE 101 HB ILE 101 8.074 6.865 0.368 797 HG12 ILE 101 2HG1 ILE 101 7.811 6.756 2.921 798 HG13 ILE 101 1HG1 ILE 101 6.760 7.887 2.075 799 HG21 ILE 101 1HG2 ILE 101 5.556 5.226 0.436 800 HG22 ILE 101 2HG2 ILE 101 6.393 5.863 -0.984 801 HG23 ILE 101 3HG2 ILE 101 5.527 6.959 0.099 802 HD11 ILE 101 3HD1 ILE 101 5.896 5.923 3.826 803 HD12 ILE 101 1HD1 ILE 101 5.619 5.193 2.245 804 HD13 ILE 101 2HD1 ILE 101 4.886 6.744 2.636 805 H SER 102 H SER 102 9.602 5.353 3.005 806 HA SER 102 HA SER 102 8.621 3.348 4.814 807 HB2 SER 102 2HB SER 102 10.257 4.195 6.356 808 HB3 SER 102 1HB SER 102 10.993 4.186 4.757 809 HG SER 102 HG SER 102 11.319 6.166 5.892 810 H LEU 103 H LEU 103 6.946 3.518 6.151 811 HA LEU 103 HA LEU 103 5.134 5.590 6.211 812 HB2 LEU 103 2HB LEU 103 5.279 3.147 7.416 813 HB3 LEU 103 1HB LEU 103 5.480 4.217 8.804 814 HG LEU 103 HG LEU 103 3.100 3.744 8.443 815 HD11 LEU 103 1HD1 LEU 103 3.929 6.041 9.181 816 HD12 LEU 103 2HD1 LEU 103 2.308 6.000 8.487 817 HD13 LEU 103 3HD1 LEU 103 3.666 6.569 7.518 818 HD21 LEU 103 3HD2 LEU 103 3.815 3.837 5.738 819 HD22 LEU 103 1HD2 LEU 103 2.802 5.260 5.973 820 HD23 LEU 103 2HD2 LEU 103 2.182 3.661 6.382 821 H LYS 104 H LYS 104 8.086 5.179 8.074 822 HA LYS 104 HA LYS 104 7.652 7.339 9.889 823 HB2 LYS 104 2HB LYS 104 10.286 6.196 8.946 824 HB3 LYS 104 1HB LYS 104 9.998 7.120 10.420 825 HG2 LYS 104 2HG LYS 104 9.245 4.292 9.779 826 HG3 LYS 104 1HG LYS 104 9.939 4.966 11.246 827 HD2 LYS 104 2HD LYS 104 7.764 6.119 11.697 828 HD3 LYS 104 1HD LYS 104 7.079 5.271 10.310 829 HE2 LYS 104 2HE LYS 104 7.131 3.215 11.362 830 HE3 LYS 104 1HE LYS 104 8.499 3.655 12.385 831 HZ1 LYS 104 3HZ LYS 104 7.168 4.575 13.924 832 HZ2 LYS 104 1HZ LYS 104 5.988 3.561 13.250 833 HZ3 LYS 104 2HZ LYS 104 6.070 5.193 12.784 834 H GLY 105 H GLY 105 9.111 6.996 6.719 835 HA2 GLY 105 2HA GLY 105 10.282 9.578 6.513 836 HA3 GLY 105 1HA GLY 105 9.871 8.506 5.180 837 H LEU 106 H LEU 106 7.175 8.254 5.387 838 HA LEU 106 HA LEU 106 6.298 10.664 4.176 839 HB2 LEU 106 2HB LEU 106 5.267 8.749 3.357 840 HB3 LEU 106 1HB LEU 106 4.936 8.114 4.966 841 HG LEU 106 HG LEU 106 3.727 10.751 4.318 842 HD11 LEU 106 1HD1 LEU 106 3.412 9.516 2.202 843 HD12 LEU 106 2HD1 LEU 106 1.881 9.710 3.058 844 HD13 LEU 106 3HD1 LEU 106 2.723 8.161 3.097 845 HD21 LEU 106 3HD2 LEU 106 1.775 9.537 5.439 846 HD22 LEU 106 1HD2 LEU 106 3.202 9.763 6.445 847 HD23 LEU 106 2HD2 LEU 106 2.880 8.194 5.711 848 H ARG 107 H ARG 107 5.685 9.229 7.363 849 HA ARG 107 HA ARG 107 3.767 11.176 8.080 850 HB2 ARG 107 2HB ARG 107 3.739 9.059 9.217 851 HB3 ARG 107 1HB ARG 107 5.374 9.309 9.802 852 HG2 ARG 107 2HG ARG 107 3.771 9.832 11.576 853 HG3 ARG 107 1HG ARG 107 4.613 11.298 11.072 854 HD2 ARG 107 2HD ARG 107 2.672 12.256 10.470 855 HD3 ARG 107 1HD ARG 107 2.300 10.900 9.409 856 HE ARG 107 HE ARG 107 0.838 10.137 11.029 857 HH11 ARG 107 1HH2 ARG 107 3.180 12.272 12.418 858 HH12 ARG 107 2HH2 ARG 107 2.455 12.266 13.991 859 HH21 ARG 107 1HH1 ARG 107 -0.118 10.123 13.086 860 HH22 ARG 107 2HH1 ARG 107 0.588 11.048 14.369 861 H GLU 108 H GLU 108 7.224 11.115 8.318 862 HA GLU 108 HA GLU 108 7.516 13.192 10.252 863 HB2 GLU 108 2HB GLU 108 9.332 11.588 9.647 864 HB3 GLU 108 1HB GLU 108 9.464 12.385 8.079 865 HG2 GLU 108 2HG GLU 108 9.629 14.557 9.633 866 HG3 GLU 108 1HG GLU 108 10.252 13.373 10.781 867 H VAL 109 H VAL 109 7.800 13.114 6.739 868 HA VAL 109 HA VAL 109 8.129 15.855 6.255 869 HB VAL 109 HB VAL 109 6.999 15.164 4.003 870 HG11 VAL 109 1HG1 VAL 109 9.361 15.179 3.973 871 HG12 VAL 109 2HG1 VAL 109 8.992 13.481 3.629 872 HG13 VAL 109 3HG1 VAL 109 9.460 13.969 5.253 873 HG21 VAL 109 3HG2 VAL 109 5.664 13.379 4.625 874 HG22 VAL 109 1HG2 VAL 109 6.938 12.597 5.542 875 HG23 VAL 109 2HG2 VAL 109 7.025 12.637 3.788 876 H LEU 110 H LEU 110 5.315 13.811 6.612 877 HA LEU 110 HA LEU 110 3.326 15.791 6.226 878 HB2 LEU 110 2HB LEU 110 3.539 13.024 7.022 879 HB3 LEU 110 1HB LEU 110 2.315 13.828 7.940 880 HG LEU 110 HG LEU 110 1.269 14.622 5.841 881 HD11 LEU 110 1HD1 LEU 110 3.204 14.798 4.406 882 HD12 LEU 110 2HD1 LEU 110 2.115 13.615 3.695 883 HD13 LEU 110 3HD1 LEU 110 3.541 13.079 4.577 884 HD21 LEU 110 3HD2 LEU 110 0.502 12.434 5.038 885 HD22 LEU 110 1HD2 LEU 110 0.632 12.412 6.795 886 HD23 LEU 110 2HD2 LEU 110 1.878 11.657 5.811 887 H ARG 111 H ARG 111 5.374 14.880 8.907 888 HA ARG 111 HA ARG 111 3.944 16.035 11.034 889 HB2 ARG 111 2HB ARG 111 6.177 14.692 11.081 890 HB3 ARG 111 1HB ARG 111 6.936 16.255 10.822 891 HG2 ARG 111 2HG ARG 111 6.879 16.068 13.167 892 HG3 ARG 111 1HG ARG 111 5.478 17.074 12.795 893 HD2 ARG 111 2HD ARG 111 4.115 15.559 13.733 894 HD3 ARG 111 1HD ARG 111 4.695 14.331 12.614 895 HE ARG 111 HE ARG 111 5.906 13.444 14.369 896 HH11 ARG 111 1HH2 ARG 111 5.272 16.801 14.912 897 HH12 ARG 111 2HH2 ARG 111 5.994 16.825 16.486 898 HH21 ARG 111 1HH1 ARG 111 6.858 13.467 16.433 899 HH22 ARG 111 2HH1 ARG 111 6.891 14.937 17.349 900 H LEU 112 H LEU 112 5.998 17.359 8.517 901 HA LEU 112 HA LEU 112 6.191 20.016 9.495 902 HB2 LEU 112 2HB LEU 112 7.349 18.809 7.429 903 HB3 LEU 112 1HB LEU 112 5.969 19.474 6.556 904 HG LEU 112 HG LEU 112 6.589 21.694 7.807 905 HD11 LEU 112 1HD1 LEU 112 9.333 20.450 7.691 906 HD12 LEU 112 2HD1 LEU 112 8.353 20.343 9.154 907 HD13 LEU 112 3HD1 LEU 112 8.825 21.920 8.520 908 HD21 LEU 112 3HD2 LEU 112 7.868 22.368 5.907 909 HD22 LEU 112 1HD2 LEU 112 6.788 21.104 5.319 910 HD23 LEU 112 2HD2 LEU 112 8.481 20.734 5.649 911 H TYR 113 H TYR 113 3.782 18.167 7.814 912 HA TYR 113 HA TYR 113 1.924 20.488 7.921 913 HB2 TYR 113 2HB TYR 113 2.132 18.224 5.930 914 HB3 TYR 113 1HB TYR 113 0.672 19.200 6.094 915 HD1 TYR 113 2HD TYR 113 0.670 21.587 5.525 916 HD2 TYR 113 1HD TYR 113 4.197 19.181 5.048 917 HE1 TYR 113 2HE TYR 113 1.695 23.365 4.135 918 HE2 TYR 113 1HE TYR 113 5.221 20.960 3.656 919 HH TYR 113 HH TYR 113 3.538 24.048 3.092 920 HA PRO 114 HA PRO 114 0.622 17.298 11.023 921 HB2 PRO 114 2HB PRO 114 -0.559 19.671 12.313 922 HB3 PRO 114 1HB PRO 114 0.553 18.459 12.971 923 HG2 PRO 114 2HG PRO 114 1.327 20.961 12.399 924 HG3 PRO 114 1HG PRO 114 2.408 19.566 12.242 925 HD2 PRO 114 2HD PRO 114 0.987 21.101 10.097 926 HD3 PRO 114 1HD PRO 114 2.596 20.348 10.075 927 H GLU 115 H GLU 115 -1.467 19.972 9.810 928 HA GLU 115 HA GLU 115 -3.891 18.690 10.573 929 HB2 GLU 115 2HB GLU 115 -3.416 20.761 8.413 930 HB3 GLU 115 1HB GLU 115 -4.983 20.326 9.095 931 HG2 GLU 115 2HG GLU 115 -4.658 21.648 10.888 932 HG3 GLU 115 1HG GLU 115 -3.069 20.945 11.191 933 H TYR 116 H TYR 116 -2.285 19.008 7.431 934 HA TYR 116 HA TYR 116 -4.081 17.293 6.049 935 HB2 TYR 116 2HB TYR 116 -1.335 18.387 5.483 936 HB3 TYR 116 1HB TYR 116 -2.096 17.230 4.396 937 HD1 TYR 116 1HD TYR 116 -4.751 17.813 4.018 938 HD2 TYR 116 2HD TYR 116 -1.630 20.624 4.915 939 HE1 TYR 116 1HE TYR 116 -6.113 19.639 3.038 940 HE2 TYR 116 2HE TYR 116 -2.991 22.450 3.933 941 HH TYR 116 HH TYR 116 -4.814 22.745 2.368 942 H ALA 117 H ALA 117 -1.112 16.834 7.827 943 HA ALA 117 HA ALA 117 -0.459 14.248 6.981 944 HB1 ALA 117 1HB ALA 117 1.190 15.438 8.122 945 HB2 ALA 117 2HB ALA 117 0.699 14.193 9.277 946 HB3 ALA 117 3HB ALA 117 0.109 15.844 9.450 947 H GLN 118 H GLN 118 -2.016 15.166 10.062 948 HA GLN 118 HA GLN 118 -2.600 12.592 10.912 949 HB2 GLN 118 2HB GLN 118 -4.193 15.143 11.286 950 HB3 GLN 118 1HB GLN 118 -4.467 13.660 12.183 951 HG2 GLN 118 2HG GLN 118 -1.992 15.383 12.213 952 HG3 GLN 118 1HG GLN 118 -3.083 15.038 13.551 953 HE21 GLN 118 1HE2 GLN 118 -0.468 13.700 11.580 954 HE22 GLN 118 2HE2 GLN 118 -0.184 12.346 12.565 955 H LYS 119 H LYS 119 -4.089 14.625 8.543 956 HA LYS 119 HA LYS 119 -6.458 13.060 8.167 957 HB2 LYS 119 2HB LYS 119 -5.968 15.546 7.537 958 HB3 LYS 119 1HB LYS 119 -5.304 14.850 6.058 959 HG2 LYS 119 2HG LYS 119 -7.550 15.193 5.484 960 HG3 LYS 119 1HG LYS 119 -7.541 13.501 5.984 961 HD2 LYS 119 2HD LYS 119 -7.945 14.798 8.376 962 HD3 LYS 119 1HD LYS 119 -8.836 15.822 7.249 963 HE2 LYS 119 2HE LYS 119 -10.462 14.244 7.767 964 HE3 LYS 119 1HE LYS 119 -9.731 13.504 6.343 965 HZ1 LYS 119 3HZ LYS 119 -9.987 11.962 8.232 966 HZ2 LYS 119 1HZ LYS 119 -8.919 12.920 9.137 967 HZ3 LYS 119 2HZ LYS 119 -8.372 12.136 7.732 968 H PHE 120 H PHE 120 -3.163 12.877 6.949 969 HA PHE 120 HA PHE 120 -3.634 11.547 4.530 970 HB2 PHE 120 2HB PHE 120 -1.427 11.669 4.411 971 HB3 PHE 120 1HB PHE 120 -1.424 12.325 6.044 972 HD1 PHE 120 1HD PHE 120 -1.196 9.153 4.074 973 HD2 PHE 120 2HD PHE 120 -0.624 11.037 7.896 974 HE1 PHE 120 1HE PHE 120 0.059 7.197 4.850 975 HE2 PHE 120 2HE PHE 120 0.609 9.044 8.687 976 HZ PHE 120 HZ PHE 120 0.953 7.119 7.169 977 H VAL 121 H VAL 121 -3.259 10.201 7.786 978 HA VAL 121 HA VAL 121 -3.086 7.520 7.137 979 HB VAL 121 HB VAL 121 -3.715 7.056 9.353 980 HG11 VAL 121 1HG1 VAL 121 -2.077 9.284 8.819 981 HG12 VAL 121 2HG1 VAL 121 -2.104 8.327 10.296 982 HG13 VAL 121 3HG1 VAL 121 -3.103 9.773 10.165 983 HG21 VAL 121 3HG2 VAL 121 -5.118 8.746 10.660 984 HG22 VAL 121 1HG2 VAL 121 -5.961 7.908 9.360 985 HG23 VAL 121 2HG2 VAL 121 -5.401 9.563 9.127 986 H SER 122 H SER 122 -6.019 9.490 7.567 987 HA SER 122 HA SER 122 -7.793 7.303 6.985 988 HB2 SER 122 2HB SER 122 -8.291 9.402 8.391 989 HB3 SER 122 1HB SER 122 -8.523 10.221 6.849 990 HG SER 122 HG SER 122 -9.770 7.750 7.256 991 H GLU 123 H GLU 123 -6.543 10.092 5.186 992 HA GLU 123 HA GLU 123 -8.106 9.813 2.878 993 HB2 GLU 123 2HB GLU 123 -5.531 11.107 3.559 994 HB3 GLU 123 1HB GLU 123 -5.816 10.788 1.849 995 HG2 GLU 123 2HG GLU 123 -7.576 12.256 1.725 996 HG3 GLU 123 1HG GLU 123 -8.080 11.954 3.388 997 H ILE 124 H ILE 124 -5.269 8.049 3.956 998 HA ILE 124 HA ILE 124 -4.410 6.920 1.562 999 HB ILE 124 HB ILE 124 -3.613 6.715 4.118 1000 HG12 ILE 124 2HG1 ILE 124 -3.091 5.178 1.633 1001 HG13 ILE 124 1HG1 ILE 124 -1.993 6.129 2.630 1002 HG21 ILE 124 1HG2 ILE 124 -4.002 4.481 4.991 1003 HG22 ILE 124 2HG2 ILE 124 -4.918 4.032 3.555 1004 HG23 ILE 124 3HG2 ILE 124 -5.564 5.234 4.674 1005 HD11 ILE 124 3HD1 ILE 124 -1.253 3.937 3.019 1006 HD12 ILE 124 1HD1 ILE 124 -2.888 3.282 2.995 1007 HD13 ILE 124 2HD1 ILE 124 -2.336 4.216 4.382 1008 H GLN 125 H GLN 125 -6.981 5.902 3.789 1009 HA GLN 125 HA GLN 125 -7.670 3.441 2.838 1010 HB2 GLN 125 2HB GLN 125 -9.520 5.636 3.720 1011 HB3 GLN 125 1HB GLN 125 -9.921 3.919 3.645 1012 HG2 GLN 125 2HG GLN 125 -7.783 5.205 5.346 1013 HG3 GLN 125 1HG GLN 125 -9.255 4.430 5.872 1014 HE21 GLN 125 1HE2 GLN 125 -5.986 3.854 5.533 1015 HE22 GLN 125 2HE2 GLN 125 -6.027 2.160 5.446 1016 H HIS 126 H HIS 126 -8.310 6.551 1.345 1017 HA HIS 126 HA HIS 126 -10.292 5.789 -0.476 1018 HB2 HIS 126 2HB HIS 126 -9.955 8.078 -0.382 1019 HB3 HIS 126 1HB HIS 126 -8.207 7.914 -0.462 1020 HD1 HIS 126 1HD HIS 126 -7.266 8.525 -2.685 1021 HD2 HIS 126 2HD HIS 126 -11.139 7.017 -3.022 1022 HE1 HIS 126 1HE HIS 126 -7.854 8.603 -5.148 1023 HE2 HIS 126 2HE HIS 126 -10.211 7.686 -5.370 1024 H ASP 127 H ASP 127 -7.053 4.790 -0.261 1025 HA ASP 127 HA ASP 127 -7.158 3.793 -3.051 1026 HB2 ASP 127 2HB ASP 127 -4.753 4.604 -1.405 1027 HB3 ASP 127 1HB ASP 127 -4.665 3.798 -2.970 1028 H LEU 128 H LEU 128 -6.752 3.052 0.295 1029 HA LEU 128 HA LEU 128 -5.373 0.744 0.487 1030 HB2 LEU 128 2HB LEU 128 -6.508 1.606 2.412 1031 HB3 LEU 128 1HB LEU 128 -8.086 1.371 1.660 1032 HG LEU 128 HG LEU 128 -7.749 -1.061 1.663 1033 HD11 LEU 128 1HD1 LEU 128 -5.017 -0.215 2.508 1034 HD12 LEU 128 2HD1 LEU 128 -5.511 -1.562 1.481 1035 HD13 LEU 128 3HD1 LEU 128 -5.660 -1.688 3.234 1036 HD21 LEU 128 3HD2 LEU 128 -7.209 0.285 4.329 1037 HD22 LEU 128 1HD2 LEU 128 -7.714 -1.395 4.147 1038 HD23 LEU 128 2HD2 LEU 128 -8.789 -0.092 3.643 1039 H THR 129 H THR 129 -5.262 -0.727 -1.153 1040 HA THR 129 HA THR 129 -7.785 -1.812 -2.218 1041 HB THR 129 HB THR 129 -4.955 -1.780 -3.239 1042 HG1 THR 129 1HG THR 129 -6.730 -1.325 -5.084 1043 HG21 THR 129 3HG2 THR 129 -7.073 -3.804 -3.688 1044 HG22 THR 129 1HG2 THR 129 -5.324 -3.944 -3.872 1045 HG23 THR 129 2HG2 THR 129 -6.290 -3.183 -5.139 1046 H TYR 130 H TYR 130 -4.580 -2.939 -1.076 1047 HA TYR 130 HA TYR 130 -5.936 -5.322 0.017 1048 HB2 TYR 130 2HB TYR 130 -4.575 -5.629 -2.213 1049 HB3 TYR 130 1HB TYR 130 -3.181 -5.566 -1.133 1050 HD1 TYR 130 1HD TYR 130 -2.961 -7.221 0.732 1051 HD2 TYR 130 2HD TYR 130 -6.065 -7.512 -2.226 1052 HE1 TYR 130 1HE TYR 130 -3.373 -9.575 1.394 1053 HE2 TYR 130 2HE TYR 130 -6.477 -9.866 -1.562 1054 HH TYR 130 HH TYR 130 -5.189 -11.222 1.289 1055 H ASN 131 H ASN 131 -5.639 -5.351 2.141 1056 HA ASN 131 HA ASN 131 -3.350 -3.946 3.297 1057 HB2 ASN 131 2HB ASN 131 -4.564 -3.783 5.255 1058 HB3 ASN 131 1HB ASN 131 -5.867 -3.812 4.067 1059 HD21 ASN 131 1HD2 ASN 131 -4.864 -5.239 6.939 1060 HD22 ASN 131 2HD2 ASN 131 -5.753 -6.681 6.835 1061 H LEU 132 H LEU 132 -1.546 -5.034 3.839 1062 HA LEU 132 HA LEU 132 -1.637 -7.948 3.946 1063 HB2 LEU 132 2HB LEU 132 0.250 -6.188 3.029 1064 HB3 LEU 132 1HB LEU 132 0.897 -6.607 4.614 1065 HG LEU 132 HG LEU 132 1.725 -8.161 2.886 1066 HD11 LEU 132 1HD1 LEU 132 0.704 -8.820 5.345 1067 HD12 LEU 132 2HD1 LEU 132 1.606 -9.928 4.309 1068 HD13 LEU 132 3HD1 LEU 132 -0.158 -9.942 4.292 1069 HD21 LEU 132 3HD2 LEU 132 -0.828 -7.898 1.828 1070 HD22 LEU 132 1HD2 LEU 132 -0.837 -9.530 2.494 1071 HD23 LEU 132 2HD2 LEU 132 0.381 -9.071 1.305 1072 H ARG 133 H ARG 133 -2.176 -8.886 5.752 1073 HA ARG 133 HA ARG 133 -1.439 -7.686 8.340 1074 HB2 ARG 133 2HB ARG 133 -3.312 -8.650 9.278 1075 HB3 ARG 133 1HB ARG 133 -3.891 -8.359 7.638 1076 HG2 ARG 133 2HG ARG 133 -3.147 -10.700 7.052 1077 HG3 ARG 133 1HG ARG 133 -2.831 -10.955 8.769 1078 HD2 ARG 133 2HD ARG 133 -5.088 -11.749 8.097 1079 HD3 ARG 133 1HD ARG 133 -5.139 -10.482 9.318 1080 HE ARG 133 HE ARG 133 -6.133 -9.069 7.749 1081 HH11 ARG 133 1HH2 ARG 133 -4.841 -11.919 6.276 1082 HH12 ARG 133 2HH2 ARG 133 -5.563 -11.616 4.731 1083 HH21 ARG 133 1HH1 ARG 133 -7.083 -8.664 5.726 1084 HH22 ARG 133 2HH1 ARG 133 -6.832 -9.772 4.419 1085 H GLU 134 H GLU 134 -0.555 -9.049 9.986 1086 HA GLU 134 HA GLU 134 1.577 -10.611 9.371 1087 HB2 GLU 134 2HB GLU 134 0.841 -9.922 11.681 1088 HB3 GLU 134 1HB GLU 134 -0.295 -11.271 11.651 1089 HG2 GLU 134 2HG GLU 134 2.465 -11.971 10.875 1090 HG3 GLU 134 1HG GLU 134 2.280 -11.457 12.551 1091 H GLY 135 H GLY 135 1.675 -12.216 7.928 1092 HA2 GLY 135 2HA GLY 135 1.299 -14.250 6.921 1093 HA3 GLY 135 1HA GLY 135 0.411 -14.711 8.370 Start of MODEL 13 1 H1 MET 1 H MET 1 -2.452 3.593 -17.894 2 HA MET 1 HA MET 1 -1.597 3.845 -15.709 3 HB2 MET 1 2HB MET 1 0.492 5.369 -15.942 4 HB3 MET 1 1HB MET 1 0.398 3.916 -16.938 5 HG2 MET 1 2HG MET 1 -0.226 5.145 -18.868 6 HG3 MET 1 1HG MET 1 -0.621 6.582 -17.925 7 HE1 MET 1 3HE MET 1 1.979 4.077 -18.969 8 HE2 MET 1 1HE MET 1 3.396 5.052 -19.380 9 HE3 MET 1 2HE MET 1 1.914 5.208 -20.319 10 H ASN 2 H ASN 2 -0.379 5.860 -14.394 11 HA ASN 2 HA ASN 2 -1.847 8.321 -14.450 12 HB2 ASN 2 2HB ASN 2 -3.172 8.103 -12.511 13 HB3 ASN 2 1HB ASN 2 -3.461 6.615 -13.412 14 HD21 ASN 2 1HD2 ASN 2 -2.371 7.877 -10.394 15 HD22 ASN 2 2HD2 ASN 2 -1.820 6.413 -9.736 16 H LYS 3 H LYS 3 0.807 8.025 -14.582 17 HA LYS 3 HA LYS 3 2.847 8.290 -13.477 18 HB2 LYS 3 2HB LYS 3 1.293 10.455 -12.062 19 HB3 LYS 3 1HB LYS 3 2.992 10.468 -12.534 20 HG2 LYS 3 2HG LYS 3 2.477 10.711 -14.826 21 HG3 LYS 3 1HG LYS 3 0.804 10.201 -14.594 22 HD2 LYS 3 2HD LYS 3 0.511 12.271 -13.133 23 HD3 LYS 3 1HD LYS 3 2.077 12.809 -13.743 24 HE2 LYS 3 2HE LYS 3 1.206 12.607 -16.068 25 HE3 LYS 3 1HE LYS 3 -0.373 12.175 -15.412 26 HZ1 LYS 3 3HZ LYS 3 0.470 14.691 -15.926 27 HZ2 LYS 3 1HZ LYS 3 0.742 14.559 -14.258 28 HZ3 LYS 3 2HZ LYS 3 -0.811 14.282 -14.889 29 H GLU 4 H GLU 4 3.122 9.551 -10.852 30 HA GLU 4 HA GLU 4 3.274 7.235 -9.243 31 HB2 GLU 4 2HB GLU 4 3.356 10.176 -8.536 32 HB3 GLU 4 1HB GLU 4 3.670 8.884 -7.376 33 HG2 GLU 4 2HG GLU 4 5.807 8.855 -8.079 34 HG3 GLU 4 1HG GLU 4 5.232 8.261 -9.636 35 H LEU 5 H LEU 5 1.999 6.518 -7.522 36 HA LEU 5 HA LEU 5 -0.796 6.948 -7.775 37 HB2 LEU 5 2HB LEU 5 0.542 4.887 -6.856 38 HB3 LEU 5 1HB LEU 5 0.440 5.746 -5.320 39 HG LEU 5 HG LEU 5 -1.442 4.177 -5.599 40 HD11 LEU 5 1HD1 LEU 5 -1.570 6.658 -4.623 41 HD12 LEU 5 2HD1 LEU 5 -2.962 5.576 -4.651 42 HD13 LEU 5 3HD1 LEU 5 -2.775 6.800 -5.906 43 HD21 LEU 5 3HD2 LEU 5 -2.752 4.073 -7.464 44 HD22 LEU 5 1HD2 LEU 5 -1.373 4.856 -8.235 45 HD23 LEU 5 2HD2 LEU 5 -2.739 5.824 -7.681 46 H LEU 6 H LEU 6 1.709 8.328 -5.740 47 HA LEU 6 HA LEU 6 0.181 9.367 -3.672 48 HB2 LEU 6 2HB LEU 6 1.857 11.102 -3.424 49 HB3 LEU 6 1HB LEU 6 2.642 9.557 -3.772 50 HG LEU 6 HG LEU 6 2.238 10.523 -6.301 51 HD11 LEU 6 1HD1 LEU 6 1.434 12.681 -5.646 52 HD12 LEU 6 2HD1 LEU 6 3.108 12.916 -6.149 53 HD13 LEU 6 3HD1 LEU 6 2.702 12.859 -4.434 54 HD21 LEU 6 3HD2 LEU 6 4.650 11.081 -6.247 55 HD22 LEU 6 1HD2 LEU 6 4.327 9.573 -5.391 56 HD23 LEU 6 2HD2 LEU 6 4.612 11.058 -4.484 57 H GLN 7 H GLN 7 -0.720 9.710 -6.719 58 HA GLN 7 HA GLN 7 -1.156 12.482 -7.056 59 HB2 GLN 7 2HB GLN 7 -1.424 10.564 -8.779 60 HB3 GLN 7 1HB GLN 7 -3.034 10.366 -8.087 61 HG2 GLN 7 2HG GLN 7 -2.785 13.124 -8.440 62 HG3 GLN 7 1HG GLN 7 -2.047 12.437 -9.887 63 HE21 GLN 7 1HE2 GLN 7 -3.586 10.171 -10.365 64 HE22 GLN 7 2HE2 GLN 7 -5.205 10.609 -10.625 65 H LEU 8 H LEU 8 -2.291 10.254 -4.849 66 HA LEU 8 HA LEU 8 -4.962 11.003 -4.441 67 HB2 LEU 8 2HB LEU 8 -2.851 9.968 -2.554 68 HB3 LEU 8 1HB LEU 8 -4.530 10.212 -2.070 69 HG LEU 8 HG LEU 8 -3.646 8.491 -4.405 70 HD11 LEU 8 1HD1 LEU 8 -4.334 6.600 -2.932 71 HD12 LEU 8 2HD1 LEU 8 -4.552 7.743 -1.607 72 HD13 LEU 8 3HD1 LEU 8 -2.947 7.481 -2.291 73 HD21 LEU 8 3HD2 LEU 8 -6.270 9.333 -3.248 74 HD22 LEU 8 1HD2 LEU 8 -6.131 7.677 -3.839 75 HD23 LEU 8 2HD2 LEU 8 -5.830 9.030 -4.930 76 HA PRO 9 HA PRO 9 -5.146 15.123 -2.908 77 HB2 PRO 9 2HB PRO 9 -6.507 13.953 -0.527 78 HB3 PRO 9 1HB PRO 9 -7.015 15.283 -1.583 79 HG2 PRO 9 2HG PRO 9 -8.061 12.811 -1.738 80 HG3 PRO 9 1HG PRO 9 -7.914 13.889 -3.132 81 HD2 PRO 9 2HD PRO 9 -6.425 11.418 -2.539 82 HD3 PRO 9 1HD PRO 9 -6.627 12.278 -4.080 83 H LEU 10 H LEU 10 -3.581 12.661 -1.005 84 HA LEU 10 HA LEU 10 -3.007 13.958 1.339 85 HB2 LEU 10 2HB LEU 10 -0.632 12.798 0.999 86 HB3 LEU 10 1HB LEU 10 -2.083 11.971 1.572 87 HG LEU 10 HG LEU 10 -2.390 11.760 -1.149 88 HD11 LEU 10 1HD1 LEU 10 0.020 12.869 -1.081 89 HD12 LEU 10 2HD1 LEU 10 -0.388 11.618 -2.266 90 HD13 LEU 10 3HD1 LEU 10 0.512 11.191 -0.812 91 HD21 LEU 10 3HD2 LEU 10 -2.534 9.646 -0.415 92 HD22 LEU 10 1HD2 LEU 10 -1.670 10.050 1.066 93 HD23 LEU 10 2HD2 LEU 10 -0.777 9.569 -0.380 94 H PHE 11 H PHE 11 -1.084 14.237 -1.644 95 HA PHE 11 HA PHE 11 0.431 16.324 -0.335 96 HB2 PHE 11 2HB PHE 11 2.029 16.236 -2.025 97 HB3 PHE 11 1HB PHE 11 1.591 14.554 -1.705 98 HD1 PHE 11 1HD PHE 11 -0.616 13.874 -2.945 99 HD2 PHE 11 2HD PHE 11 2.125 16.819 -4.334 100 HE1 PHE 11 1HE PHE 11 -1.505 13.609 -5.251 101 HE2 PHE 11 2HE PHE 11 1.283 16.550 -6.649 102 HZ PHE 11 HZ PHE 11 -0.545 14.934 -7.111 103 H GLU 12 H GLU 12 -1.638 15.854 -3.161 104 HA GLU 12 HA GLU 12 -1.481 18.377 -4.307 105 HB2 GLU 12 2HB GLU 12 -2.729 16.521 -5.330 106 HB3 GLU 12 1HB GLU 12 -3.933 16.620 -4.046 107 HG2 GLU 12 2HG GLU 12 -4.535 17.813 -6.211 108 HG3 GLU 12 1HG GLU 12 -4.650 18.766 -4.735 109 H SER 13 H SER 13 -3.406 17.264 -1.561 110 HA SER 13 HA SER 13 -4.683 19.835 -1.190 111 HB2 SER 13 2HB SER 13 -5.871 18.826 0.543 112 HB3 SER 13 1HB SER 13 -5.552 17.455 -0.515 113 HG SER 13 HG SER 13 -5.036 17.181 1.784 114 H ALA 14 H ALA 14 -1.652 18.553 -0.566 115 HA ALA 14 HA ALA 14 -1.166 20.258 1.782 116 HB1 ALA 14 1HB ALA 14 -0.398 17.703 1.362 117 HB2 ALA 14 2HB ALA 14 0.545 18.837 2.329 118 HB3 ALA 14 3HB ALA 14 0.977 18.547 0.639 119 H SER 15 H SER 15 0.724 21.631 1.759 120 HA SER 15 HA SER 15 0.987 23.152 -0.604 121 HB2 SER 15 2HB SER 15 1.693 23.601 1.954 122 HB3 SER 15 1HB SER 15 3.256 23.085 1.328 123 HG SER 15 HG SER 15 3.402 24.954 0.399 124 H ARG 16 H ARG 16 2.547 23.063 -2.244 125 HA ARG 16 HA ARG 16 3.473 20.606 -3.045 126 HB2 ARG 16 2HB ARG 16 5.069 23.142 -3.506 127 HB3 ARG 16 1HB ARG 16 4.948 21.733 -4.560 128 HG2 ARG 16 2HG ARG 16 2.629 23.558 -3.860 129 HG3 ARG 16 1HG ARG 16 3.558 23.649 -5.357 130 HD2 ARG 16 2HD ARG 16 2.974 21.112 -5.580 131 HD3 ARG 16 1HD ARG 16 1.702 21.477 -4.417 132 HE ARG 16 HE ARG 16 1.528 23.403 -6.427 133 HH11 ARG 16 1HH2 ARG 16 1.295 19.967 -6.072 134 HH12 ARG 16 2HH2 ARG 16 0.162 19.773 -7.367 135 HH21 ARG 16 1HH1 ARG 16 0.046 23.154 -8.127 136 HH22 ARG 16 2HH1 ARG 16 -0.544 21.576 -8.531 137 H GLY 17 H GLY 17 4.478 22.580 -0.486 138 HA2 GLY 17 2HA GLY 17 7.154 21.826 -0.111 139 HA3 GLY 17 1HA GLY 17 6.048 22.330 1.166 140 H CYS 18 H CYS 18 4.091 20.256 0.859 141 HA CYS 18 HA CYS 18 5.373 18.173 2.364 142 HB2 CYS 18 2HB CYS 18 2.722 18.979 1.903 143 HB3 CYS 18 1HB CYS 18 2.835 17.387 1.135 144 HG CYS 18 HG CYS 18 3.285 16.314 3.377 145 H LEU 19 H LEU 19 4.385 18.636 -0.979 146 HA LEU 19 HA LEU 19 4.836 15.969 -1.829 147 HB2 LEU 19 2HB LEU 19 3.623 17.739 -3.127 148 HB3 LEU 19 1HB LEU 19 5.187 18.481 -3.476 149 HG LEU 19 HG LEU 19 5.958 16.436 -4.574 150 HD11 LEU 19 1HD1 LEU 19 3.443 15.352 -3.390 151 HD12 LEU 19 2HD1 LEU 19 5.001 14.566 -3.642 152 HD13 LEU 19 3HD1 LEU 19 3.885 14.765 -4.992 153 HD21 LEU 19 3HD2 LEU 19 5.036 17.461 -6.363 154 HD22 LEU 19 1HD2 LEU 19 3.632 17.977 -5.431 155 HD23 LEU 19 2HD2 LEU 19 3.664 16.371 -6.161 156 H ARG 20 H ARG 20 6.914 18.779 -1.445 157 HA ARG 20 HA ARG 20 9.262 17.578 -2.581 158 HB2 ARG 20 2HB ARG 20 10.105 19.661 -2.319 159 HB3 ARG 20 1HB ARG 20 8.514 20.128 -1.727 160 HG2 ARG 20 2HG ARG 20 10.066 20.799 -0.058 161 HG3 ARG 20 1HG ARG 20 9.258 19.391 0.564 162 HD2 ARG 20 2HD ARG 20 11.445 18.394 -0.885 163 HD3 ARG 20 1HD ARG 20 12.071 19.778 0.005 164 HE ARG 20 HE ARG 20 11.082 17.289 1.147 165 HH11 ARG 20 1HH2 ARG 20 11.902 20.617 1.588 166 HH12 ARG 20 2HH2 ARG 20 12.162 20.474 3.295 167 HH21 ARG 20 1HH1 ARG 20 11.419 17.088 3.391 168 HH22 ARG 20 2HH1 ARG 20 11.888 18.476 4.316 169 H SER 21 H SER 21 7.800 17.878 0.565 170 HA SER 21 HA SER 21 9.819 16.866 2.254 171 HB2 SER 21 2HB SER 21 6.864 16.423 2.554 172 HB3 SER 21 1HB SER 21 8.069 16.651 3.824 173 HG SER 21 HG SER 21 8.070 18.700 2.076 174 H LEU 22 H LEU 22 7.135 15.289 0.638 175 HA LEU 22 HA LEU 22 7.829 12.642 1.353 176 HB2 LEU 22 2HB LEU 22 5.883 13.934 -0.305 177 HB3 LEU 22 1HB LEU 22 6.620 12.608 -1.202 178 HG LEU 22 HG LEU 22 6.184 11.090 0.698 179 HD11 LEU 22 1HD1 LEU 22 5.329 11.787 2.691 180 HD12 LEU 22 2HD1 LEU 22 4.270 12.977 1.936 181 HD13 LEU 22 3HD1 LEU 22 5.970 13.358 2.210 182 HD21 LEU 22 3HD2 LEU 22 4.544 11.677 -1.235 183 HD22 LEU 22 1HD2 LEU 22 3.618 12.496 0.025 184 HD23 LEU 22 2HD2 LEU 22 3.940 10.761 0.142 185 H SER 23 H SER 23 8.397 14.440 -1.679 186 HA SER 23 HA SER 23 9.884 12.481 -2.934 187 HB2 SER 23 2HB SER 23 9.431 13.998 -4.468 188 HB3 SER 23 1HB SER 23 9.491 15.344 -3.318 189 HG SER 23 HG SER 23 11.502 14.192 -4.857 190 H LEU 24 H LEU 24 10.826 14.675 -0.432 191 HA LEU 24 HA LEU 24 13.627 14.432 -0.703 192 HB2 LEU 24 2HB LEU 24 11.762 15.450 1.253 193 HB3 LEU 24 1HB LEU 24 13.057 14.545 2.037 194 HG LEU 24 HG LEU 24 13.551 16.993 1.651 195 HD11 LEU 24 1HD1 LEU 24 15.185 14.664 1.035 196 HD12 LEU 24 2HD1 LEU 24 15.607 16.114 1.946 197 HD13 LEU 24 3HD1 LEU 24 15.747 16.106 0.188 198 HD21 LEU 24 3HD2 LEU 24 13.518 17.905 -0.424 199 HD22 LEU 24 1HD2 LEU 24 12.552 16.496 -0.866 200 HD23 LEU 24 2HD2 LEU 24 14.294 16.495 -1.145 201 H ILE 25 H ILE 25 11.115 12.383 0.628 202 HA ILE 25 HA ILE 25 13.174 10.327 1.179 203 HB ILE 25 HB ILE 25 11.889 11.315 3.194 204 HG12 ILE 25 2HG1 ILE 25 11.428 8.560 3.602 205 HG13 ILE 25 1HG1 ILE 25 12.744 8.645 2.469 206 HG21 ILE 25 1HG2 ILE 25 9.880 9.240 2.666 207 HG22 ILE 25 2HG2 ILE 25 9.699 10.685 1.655 208 HG23 ILE 25 3HG2 ILE 25 9.666 10.821 3.418 209 HD11 ILE 25 3HD1 ILE 25 13.868 8.757 4.526 210 HD12 ILE 25 1HD1 ILE 25 12.579 9.709 5.274 211 HD13 ILE 25 2HD1 ILE 25 13.687 10.465 4.122 212 H ILE 26 H ILE 26 11.426 10.850 -1.287 213 HA ILE 26 HA ILE 26 9.482 8.839 -1.430 214 HB ILE 26 HB ILE 26 10.854 10.688 -3.255 215 HG12 ILE 26 2HG1 ILE 26 8.543 10.965 -2.230 216 HG13 ILE 26 1HG1 ILE 26 8.618 11.140 -3.986 217 HG21 ILE 26 1HG2 ILE 26 9.832 8.058 -4.143 218 HG22 ILE 26 2HG2 ILE 26 11.357 8.816 -4.568 219 HG23 ILE 26 3HG2 ILE 26 9.840 9.431 -5.233 220 HD11 ILE 26 3HD1 ILE 26 6.981 9.400 -2.561 221 HD12 ILE 26 1HD1 ILE 26 8.251 8.389 -3.249 222 HD13 ILE 26 2HD1 ILE 26 7.274 9.414 -4.302 223 H LYS 27 H LYS 27 9.609 6.713 -1.858 224 HA LYS 27 HA LYS 27 12.266 5.659 -2.658 225 HB2 LYS 27 2HB LYS 27 10.997 5.161 -0.272 226 HB3 LYS 27 1HB LYS 27 10.572 3.757 -1.250 227 HG2 LYS 27 2HG LYS 27 12.656 3.225 -0.230 228 HG3 LYS 27 1HG LYS 27 13.035 3.626 -1.896 229 HD2 LYS 27 2HD LYS 27 14.203 5.481 -1.308 230 HD3 LYS 27 1HD LYS 27 13.034 5.937 -0.069 231 HE2 LYS 27 2HE LYS 27 15.385 5.240 0.732 232 HE3 LYS 27 1HE LYS 27 14.004 4.498 1.540 233 HZ1 LYS 27 3HZ LYS 27 15.169 3.201 -0.826 234 HZ2 LYS 27 1HZ LYS 27 14.333 2.507 0.476 235 HZ3 LYS 27 2HZ LYS 27 15.937 3.028 0.679 236 H THR 28 H THR 28 12.330 4.057 -4.208 237 HA THR 28 HA THR 28 9.744 3.301 -5.425 238 HB THR 28 HB THR 28 10.443 3.854 -7.555 239 HG1 THR 28 1HG THR 28 12.849 3.057 -6.555 240 HG21 THR 28 3HG2 THR 28 12.272 5.810 -6.218 241 HG22 THR 28 1HG2 THR 28 10.561 5.830 -5.790 242 HG23 THR 28 2HG2 THR 28 11.054 6.085 -7.465 243 H SER 29 H SER 29 9.490 1.178 -5.392 244 HA SER 29 HA SER 29 11.890 -0.551 -5.487 245 HB2 SER 29 2HB SER 29 10.333 -2.258 -4.408 246 HB3 SER 29 1HB SER 29 10.798 -0.897 -3.389 247 HG SER 29 HG SER 29 8.793 0.097 -4.255 248 H PHE 30 H PHE 30 11.844 -2.379 -6.840 249 HA PHE 30 HA PHE 30 9.580 -2.520 -8.733 250 HB2 PHE 30 2HB PHE 30 11.006 -2.633 -10.598 251 HB3 PHE 30 1HB PHE 30 11.712 -1.354 -9.612 252 HD1 PHE 30 1HD PHE 30 12.036 -4.865 -10.686 253 HD2 PHE 30 2HD PHE 30 13.826 -1.660 -8.461 254 HE1 PHE 30 1HE PHE 30 14.157 -6.145 -10.553 255 HE2 PHE 30 2HE PHE 30 15.948 -2.937 -8.327 256 HZ PHE 30 HZ PHE 30 16.114 -5.180 -9.373 257 H CYS 31 H CYS 31 9.053 -4.571 -9.497 258 HA CYS 31 HA CYS 31 10.570 -6.823 -8.326 259 HB2 CYS 31 2HB CYS 31 7.560 -6.736 -8.587 260 HB3 CYS 31 1HB CYS 31 8.536 -7.987 -7.809 261 HG CYS 31 HG CYS 31 8.526 -5.073 -6.669 262 H ALA 32 H ALA 32 10.523 -8.774 -9.504 263 HA ALA 32 HA ALA 32 9.872 -8.410 -12.359 264 HB1 ALA 32 1HB ALA 32 12.073 -8.897 -12.546 265 HB2 ALA 32 2HB ALA 32 11.574 -10.558 -12.229 266 HB3 ALA 32 3HB ALA 32 12.152 -9.545 -10.908 267 HA PRO 33 HA PRO 33 7.084 -11.831 -12.444 268 HB2 PRO 33 2HB PRO 33 8.791 -13.307 -14.375 269 HB3 PRO 33 1HB PRO 33 7.115 -12.753 -14.547 270 HG2 PRO 33 2HG PRO 33 9.139 -11.572 -15.834 271 HG3 PRO 33 1HG PRO 33 7.735 -10.666 -15.246 272 HD2 PRO 33 2HD PRO 33 10.504 -10.783 -14.122 273 HD3 PRO 33 1HD PRO 33 9.346 -9.436 -14.147 274 H GLY 34 H GLY 34 6.883 -13.361 -10.901 275 HA2 GLY 34 2HA GLY 34 7.335 -15.203 -9.588 276 HA3 GLY 34 1HA GLY 34 8.670 -15.581 -10.672 277 H GLU 35 H GLU 35 9.014 -12.416 -9.706 278 HA GLU 35 HA GLU 35 11.274 -13.036 -8.062 279 HB2 GLU 35 2HB GLU 35 10.794 -11.006 -9.665 280 HB3 GLU 35 1HB GLU 35 10.159 -10.304 -8.193 281 HG2 GLU 35 2HG GLU 35 12.795 -11.623 -7.938 282 HG3 GLU 35 1HG GLU 35 12.731 -10.155 -8.889 283 H PHE 36 H PHE 36 11.439 -13.142 -5.904 284 HA PHE 36 HA PHE 36 8.995 -12.807 -4.330 285 HB2 PHE 36 2HB PHE 36 11.512 -13.776 -3.090 286 HB3 PHE 36 1HB PHE 36 9.853 -14.334 -2.866 287 HD1 PHE 36 2HD PHE 36 12.636 -14.260 -5.364 288 HD2 PHE 36 1HD PHE 36 9.062 -16.228 -4.020 289 HE1 PHE 36 2HE PHE 36 13.029 -16.088 -6.995 290 HE2 PHE 36 1HE PHE 36 9.455 -18.056 -5.650 291 HZ PHE 36 HZ PHE 36 11.439 -17.985 -7.138 292 H LEU 37 H LEU 37 8.613 -10.907 -3.375 293 HA LEU 37 HA LEU 37 10.868 -9.183 -2.653 294 HB2 LEU 37 2HB LEU 37 8.034 -8.756 -3.280 295 HB3 LEU 37 1HB LEU 37 8.600 -7.819 -1.902 296 HG LEU 37 HG LEU 37 8.925 -6.558 -3.982 297 HD11 LEU 37 1HD1 LEU 37 10.835 -7.019 -2.027 298 HD12 LEU 37 2HD1 LEU 37 10.898 -5.737 -3.238 299 HD13 LEU 37 3HD1 LEU 37 11.732 -7.264 -3.525 300 HD21 LEU 37 3HD2 LEU 37 10.404 -7.400 -5.739 301 HD22 LEU 37 1HD2 LEU 37 9.098 -8.553 -5.468 302 HD23 LEU 37 2HD2 LEU 37 10.704 -8.872 -4.816 303 H ILE 38 H ILE 38 7.962 -10.609 -1.084 304 HA ILE 38 HA ILE 38 9.362 -10.257 1.467 305 HB ILE 38 HB ILE 38 6.833 -9.329 0.851 306 HG12 ILE 38 2HG1 ILE 38 6.827 -9.610 3.603 307 HG13 ILE 38 1HG1 ILE 38 8.545 -9.596 3.224 308 HG21 ILE 38 1HG2 ILE 38 6.642 -11.745 2.638 309 HG22 ILE 38 2HG2 ILE 38 6.046 -11.691 0.993 310 HG23 ILE 38 3HG2 ILE 38 5.317 -10.665 2.212 311 HD11 ILE 38 3HD1 ILE 38 6.503 -7.455 2.796 312 HD12 ILE 38 1HD1 ILE 38 7.820 -7.591 1.623 313 HD13 ILE 38 2HD1 ILE 38 8.178 -7.315 3.333 314 H ARG 39 H ARG 39 9.463 -11.904 2.947 315 HA ARG 39 HA ARG 39 8.502 -14.531 2.019 316 HB2 ARG 39 2HB ARG 39 10.868 -14.993 3.469 317 HB3 ARG 39 1HB ARG 39 10.608 -15.210 1.747 318 HG2 ARG 39 2HG ARG 39 12.538 -13.713 2.252 319 HG3 ARG 39 1HG ARG 39 11.285 -12.944 1.279 320 HD2 ARG 39 2HD ARG 39 11.077 -11.342 2.835 321 HD3 ARG 39 1HD ARG 39 10.574 -12.571 3.992 322 HE ARG 39 HE ARG 39 13.167 -11.310 3.838 323 HH11 ARG 39 1HH2 ARG 39 11.370 -14.109 4.794 324 HH12 ARG 39 2HH2 ARG 39 12.541 -14.634 5.956 325 HH21 ARG 39 1HH1 ARG 39 14.704 -11.990 5.365 326 HH22 ARG 39 2HH1 ARG 39 14.427 -13.434 6.282 327 H GLN 40 H GLN 40 6.948 -14.919 3.415 328 HA GLN 40 HA GLN 40 5.964 -14.314 5.650 329 HB2 GLN 40 2HB GLN 40 5.363 -16.478 5.003 330 HB3 GLN 40 1HB GLN 40 7.019 -17.074 5.114 331 HG2 GLN 40 2HG GLN 40 5.878 -15.965 7.619 332 HG3 GLN 40 1HG GLN 40 5.161 -17.466 7.048 333 HE21 GLN 40 1HE2 GLN 40 7.836 -16.154 8.742 334 HE22 GLN 40 2HE2 GLN 40 8.793 -17.557 8.775 335 H GLY 41 H GLY 41 6.435 -13.603 7.611 336 HA2 GLY 41 2HA GLY 41 7.510 -13.653 9.717 337 HA3 GLY 41 1HA GLY 41 8.851 -14.516 8.982 338 H ASP 42 H ASP 42 7.942 -11.960 7.008 339 HA ASP 42 HA ASP 42 10.359 -10.517 7.667 340 HB2 ASP 42 2HB ASP 42 8.454 -10.561 5.462 341 HB3 ASP 42 1HB ASP 42 8.933 -8.922 5.906 342 H ALA 43 H ALA 43 9.957 -7.942 7.503 343 HA ALA 43 HA ALA 43 8.003 -7.311 9.635 344 HB1 ALA 43 1HB ALA 43 10.871 -6.620 9.290 345 HB2 ALA 43 2HB ALA 43 9.954 -6.923 10.768 346 HB3 ALA 43 3HB ALA 43 9.820 -5.365 9.949 347 H LEU 44 H LEU 44 6.827 -5.426 9.450 348 HA LEU 44 HA LEU 44 6.610 -4.327 6.770 349 HB2 LEU 44 2HB LEU 44 4.675 -4.882 8.401 350 HB3 LEU 44 1HB LEU 44 5.083 -3.342 9.156 351 HG LEU 44 HG LEU 44 5.071 -2.838 6.381 352 HD11 LEU 44 1HD1 LEU 44 3.738 -5.098 6.448 353 HD12 LEU 44 2HD1 LEU 44 3.111 -3.747 5.508 354 HD13 LEU 44 3HD1 LEU 44 2.438 -4.097 7.099 355 HD21 LEU 44 3HD2 LEU 44 2.995 -1.529 7.009 356 HD22 LEU 44 1HD2 LEU 44 4.407 -1.217 8.019 357 HD23 LEU 44 2HD2 LEU 44 3.111 -2.256 8.612 358 H GLN 45 H GLN 45 7.735 -2.618 6.102 359 HA GLN 45 HA GLN 45 8.549 -0.613 8.115 360 HB2 GLN 45 2HB GLN 45 10.396 -2.141 7.173 361 HB3 GLN 45 1HB GLN 45 10.186 -1.242 5.670 362 HG2 GLN 45 2HG GLN 45 11.803 0.063 6.683 363 HG3 GLN 45 1HG GLN 45 10.351 0.848 7.303 364 HE21 GLN 45 1HE2 GLN 45 13.222 -0.848 8.220 365 HE22 GLN 45 2HE2 GLN 45 12.868 -0.980 9.875 366 H ALA 46 H ALA 46 7.805 -1.198 4.680 367 HA ALA 46 HA ALA 46 6.894 1.608 4.518 368 HB1 ALA 46 1HB ALA 46 8.586 0.099 2.523 369 HB2 ALA 46 2HB ALA 46 9.005 1.579 3.386 370 HB3 ALA 46 3HB ALA 46 7.752 1.604 2.145 371 H ILE 47 H ILE 47 5.501 1.994 2.585 372 HA ILE 47 HA ILE 47 3.700 -0.312 2.121 373 HB ILE 47 HB ILE 47 2.832 1.750 3.386 374 HG12 ILE 47 2HG1 ILE 47 0.974 1.722 1.212 375 HG13 ILE 47 1HG1 ILE 47 1.656 0.102 1.356 376 HG21 ILE 47 1HG2 ILE 47 2.506 3.014 0.696 377 HG22 ILE 47 2HG2 ILE 47 4.055 3.202 1.518 378 HG23 ILE 47 3HG2 ILE 47 2.573 3.767 2.289 379 HD11 ILE 47 3HD1 ILE 47 0.269 1.716 3.507 380 HD12 ILE 47 1HD1 ILE 47 1.190 0.251 3.851 381 HD13 ILE 47 2HD1 ILE 47 -0.241 0.173 2.823 382 H TYR 48 H TYR 48 3.265 -0.898 0.018 383 HA TYR 48 HA TYR 48 4.576 0.738 -2.076 384 HB2 TYR 48 2HB TYR 48 3.994 -2.187 -2.439 385 HB3 TYR 48 1HB TYR 48 5.164 -1.176 -3.269 386 HD1 TYR 48 1HD TYR 48 4.446 -2.054 0.339 387 HD2 TYR 48 2HD TYR 48 7.349 -1.679 -2.798 388 HE1 TYR 48 1HE TYR 48 6.224 -2.776 1.902 389 HE2 TYR 48 2HE TYR 48 9.130 -2.406 -1.237 390 HH TYR 48 HH TYR 48 9.401 -3.593 0.812 391 H PHE 49 H PHE 49 3.675 0.777 -4.153 392 HA PHE 49 HA PHE 49 0.838 0.015 -4.412 393 HB2 PHE 49 2HB PHE 49 1.630 2.663 -4.086 394 HB3 PHE 49 1HB PHE 49 1.525 2.466 -5.835 395 HD1 PHE 49 1HD PHE 49 -0.643 1.196 -6.729 396 HD2 PHE 49 2HD PHE 49 -0.309 3.132 -2.893 397 HE1 PHE 49 1HE PHE 49 -3.110 1.351 -6.580 398 HE2 PHE 49 2HE PHE 49 -2.781 3.275 -2.754 399 HZ PHE 49 HZ PHE 49 -4.179 2.385 -4.597 400 H VAL 50 H VAL 50 0.396 -0.868 -6.389 401 HA VAL 50 HA VAL 50 2.618 -1.005 -8.286 402 HB VAL 50 HB VAL 50 0.633 -2.821 -7.261 403 HG11 VAL 50 1HG1 VAL 50 -0.399 -2.286 -9.417 404 HG12 VAL 50 2HG1 VAL 50 0.115 -3.963 -9.341 405 HG13 VAL 50 3HG1 VAL 50 1.062 -2.782 -10.253 406 HG21 VAL 50 3HG2 VAL 50 2.269 -4.480 -8.177 407 HG22 VAL 50 1HG2 VAL 50 3.022 -3.258 -7.152 408 HG23 VAL 50 2HG2 VAL 50 3.158 -3.143 -8.907 409 H CYS 51 H CYS 51 2.485 -0.003 -10.197 410 HA CYS 51 HA CYS 51 -0.041 1.358 -10.820 411 HB2 CYS 51 2HB CYS 51 1.188 2.960 -11.916 412 HB3 CYS 51 1HB CYS 51 2.409 2.409 -10.769 413 HG CYS 51 HG CYS 51 3.138 2.402 -13.451 414 H SER 52 H SER 52 2.013 -1.205 -11.877 415 HA SER 52 HA SER 52 0.095 -2.164 -13.759 416 HB2 SER 52 2HB SER 52 1.011 -1.616 -15.788 417 HB3 SER 52 1HB SER 52 1.513 -0.193 -14.881 418 HG SER 52 HG SER 52 3.183 -1.383 -16.111 419 H GLY 53 H GLY 53 0.436 -4.304 -14.199 420 HA2 GLY 53 2HA GLY 53 2.168 -6.076 -14.590 421 HA3 GLY 53 1HA GLY 53 2.922 -5.493 -13.111 422 H SER 54 H SER 54 2.675 -7.722 -12.299 423 HA SER 54 HA SER 54 0.083 -8.011 -10.960 424 HB2 SER 54 2HB SER 54 1.113 -10.443 -12.363 425 HB3 SER 54 1HB SER 54 -0.526 -10.060 -11.845 426 HG SER 54 HG SER 54 -0.738 -9.496 -13.867 427 H MET 55 H MET 55 0.146 -9.183 -9.062 428 HA MET 55 HA MET 55 2.460 -10.751 -8.343 429 HB2 MET 55 2HB MET 55 3.078 -9.382 -6.379 430 HB3 MET 55 1HB MET 55 3.359 -8.530 -7.897 431 HG2 MET 55 2HG MET 55 2.025 -6.876 -7.222 432 HG3 MET 55 1HG MET 55 0.675 -8.002 -7.092 433 HE1 MET 55 3HE MET 55 3.818 -6.847 -4.076 434 HE2 MET 55 1HE MET 55 2.810 -5.531 -4.693 435 HE3 MET 55 2HE MET 55 3.708 -6.556 -5.811 436 H GLU 56 H GLU 56 2.263 -11.584 -6.062 437 HA GLU 56 HA GLU 56 -0.323 -11.431 -4.801 438 HB2 GLU 56 2HB GLU 56 -0.757 -13.920 -5.124 439 HB3 GLU 56 1HB GLU 56 -1.045 -12.891 -6.522 440 HG2 GLU 56 2HG GLU 56 0.210 -14.967 -7.087 441 HG3 GLU 56 1HG GLU 56 1.111 -13.503 -7.486 442 H VAL 57 H VAL 57 -0.436 -12.675 -2.820 443 HA VAL 57 HA VAL 57 2.235 -13.161 -1.717 444 HB VAL 57 HB VAL 57 1.402 -12.679 0.365 445 HG11 VAL 57 1HG1 VAL 57 0.982 -10.678 -0.895 446 HG12 VAL 57 2HG1 VAL 57 -0.419 -10.930 0.146 447 HG13 VAL 57 3HG1 VAL 57 -0.508 -11.341 -1.565 448 HG21 VAL 57 3HG2 VAL 57 -1.052 -13.021 0.926 449 HG22 VAL 57 1HG2 VAL 57 -0.146 -14.490 0.564 450 HG23 VAL 57 2HG2 VAL 57 -1.218 -13.795 -0.649 451 H LEU 58 H LEU 58 2.986 -15.165 -1.428 452 HA LEU 58 HA LEU 58 1.148 -17.411 -1.847 453 HB2 LEU 58 2HB LEU 58 3.605 -16.801 -2.972 454 HB3 LEU 58 1HB LEU 58 3.987 -18.058 -1.800 455 HG LEU 58 HG LEU 58 2.171 -18.197 -4.199 456 HD11 LEU 58 1HD1 LEU 58 3.527 -19.997 -4.816 457 HD12 LEU 58 2HD1 LEU 58 4.032 -20.313 -3.155 458 HD13 LEU 58 3HD1 LEU 58 4.678 -18.920 -4.025 459 HD21 LEU 58 3HD2 LEU 58 1.771 -20.609 -2.984 460 HD22 LEU 58 1HD2 LEU 58 0.635 -19.261 -2.874 461 HD23 LEU 58 2HD2 LEU 58 1.807 -19.543 -1.582 462 H LYS 59 H LYS 59 0.576 -18.671 -0.226 463 HA LYS 59 HA LYS 59 2.425 -19.550 1.763 464 HB2 LYS 59 2HB LYS 59 1.025 -17.175 2.356 465 HB3 LYS 59 1HB LYS 59 0.267 -18.436 3.315 466 HG2 LYS 59 2HG LYS 59 3.181 -17.637 3.286 467 HG3 LYS 59 1HG LYS 59 2.051 -17.565 4.635 468 HD2 LYS 59 2HD LYS 59 2.756 -19.594 5.261 469 HD3 LYS 59 1HD LYS 59 2.016 -20.240 3.807 470 HE2 LYS 59 2HE LYS 59 4.169 -20.951 3.418 471 HE3 LYS 59 1HE LYS 59 4.329 -19.335 2.734 472 HZ1 LYS 59 3HZ LYS 59 4.709 -19.059 5.453 473 HZ2 LYS 59 1HZ LYS 59 5.888 -18.959 4.239 474 HZ3 LYS 59 2HZ LYS 59 5.592 -20.442 5.013 475 H ASP 60 H ASP 60 1.737 -21.428 2.751 476 HA ASP 60 HA ASP 60 0.524 -23.341 3.057 477 HB2 ASP 60 2HB ASP 60 -1.749 -21.383 2.735 478 HB3 ASP 60 1HB ASP 60 -1.968 -23.072 3.189 479 H ASN 61 H ASN 61 1.543 -23.052 0.519 480 HA ASN 61 HA ASN 61 1.410 -24.062 -1.534 481 HB2 ASN 61 2HB ASN 61 0.243 -25.814 -0.013 482 HB3 ASN 61 1HB ASN 61 -1.239 -25.249 -0.781 483 HD21 ASN 61 1HD2 ASN 61 2.099 -25.926 -2.002 484 HD22 ASN 61 2HD2 ASN 61 1.577 -26.908 -3.285 485 H THR 62 H THR 62 -1.076 -21.993 -0.423 486 HA THR 62 HA THR 62 -1.819 -21.457 -3.229 487 HB THR 62 HB THR 62 -3.744 -21.251 -0.930 488 HG1 THR 62 1HG THR 62 -3.223 -23.414 -1.325 489 HG21 THR 62 3HG2 THR 62 -4.182 -21.232 -3.931 490 HG22 THR 62 1HG2 THR 62 -4.144 -19.772 -2.930 491 HG23 THR 62 2HG2 THR 62 -5.410 -20.983 -2.693 492 H VAL 63 H VAL 63 -2.446 -19.313 -3.675 493 HA VAL 63 HA VAL 63 -0.920 -17.391 -2.207 494 HB VAL 63 HB VAL 63 -2.517 -16.000 -3.979 495 HG11 VAL 63 1HG1 VAL 63 0.195 -17.293 -4.182 496 HG12 VAL 63 2HG1 VAL 63 -0.186 -15.601 -3.878 497 HG13 VAL 63 3HG1 VAL 63 -0.445 -16.290 -5.481 498 HG21 VAL 63 3HG2 VAL 63 -3.397 -18.256 -4.700 499 HG22 VAL 63 1HG2 VAL 63 -1.752 -18.672 -5.170 500 HG23 VAL 63 2HG2 VAL 63 -2.596 -17.361 -5.994 501 H LEU 64 H LEU 64 -1.602 -16.372 -0.425 502 HA LEU 64 HA LEU 64 -4.360 -16.522 0.378 503 HB2 LEU 64 2HB LEU 64 -1.862 -15.364 1.544 504 HB3 LEU 64 1HB LEU 64 -3.413 -14.782 2.142 505 HG LEU 64 HG LEU 64 -4.043 -17.269 2.403 506 HD11 LEU 64 1HD1 LEU 64 -2.355 -18.371 1.159 507 HD12 LEU 64 2HD1 LEU 64 -1.898 -18.644 2.841 508 HD13 LEU 64 3HD1 LEU 64 -1.073 -17.408 1.892 509 HD21 LEU 64 3HD2 LEU 64 -1.795 -16.133 4.099 510 HD22 LEU 64 1HD2 LEU 64 -2.933 -17.384 4.597 511 HD23 LEU 64 2HD2 LEU 64 -3.505 -15.744 4.292 512 H ALA 65 H ALA 65 -2.559 -14.513 -1.664 513 HA ALA 65 HA ALA 65 -4.843 -12.690 -1.831 514 HB1 ALA 65 1HB ALA 65 -3.847 -10.985 -0.783 515 HB2 ALA 65 2HB ALA 65 -2.606 -10.988 -2.035 516 HB3 ALA 65 3HB ALA 65 -2.374 -11.931 -0.562 517 H ILE 66 H ILE 66 -5.272 -12.127 -3.854 518 HA ILE 66 HA ILE 66 -3.198 -12.561 -5.917 519 HB ILE 66 HB ILE 66 -6.091 -13.417 -5.907 520 HG12 ILE 66 2HG1 ILE 66 -4.754 -15.453 -6.990 521 HG13 ILE 66 1HG1 ILE 66 -3.401 -14.722 -6.126 522 HG21 ILE 66 1HG2 ILE 66 -5.914 -12.313 -7.998 523 HG22 ILE 66 2HG2 ILE 66 -5.586 -14.005 -8.366 524 HG23 ILE 66 3HG2 ILE 66 -4.254 -12.857 -8.238 525 HD11 ILE 66 3HD1 ILE 66 -4.737 -14.775 -4.034 526 HD12 ILE 66 1HD1 ILE 66 -4.505 -16.388 -4.701 527 HD13 ILE 66 2HD1 ILE 66 -6.049 -15.562 -4.907 528 H LEU 67 H LEU 67 -2.721 -10.439 -6.506 529 HA LEU 67 HA LEU 67 -5.038 -8.781 -7.247 530 HB2 LEU 67 2HB LEU 67 -3.283 -6.889 -6.406 531 HB3 LEU 67 1HB LEU 67 -4.606 -7.527 -5.436 532 HG LEU 67 HG LEU 67 -3.019 -9.311 -4.604 533 HD11 LEU 67 1HD1 LEU 67 -1.481 -8.576 -6.694 534 HD12 LEU 67 2HD1 LEU 67 -0.828 -9.365 -5.262 535 HD13 LEU 67 3HD1 LEU 67 -0.728 -7.614 -5.428 536 HD21 LEU 67 3HD2 LEU 67 -3.319 -6.632 -3.820 537 HD22 LEU 67 1HD2 LEU 67 -1.580 -6.928 -3.769 538 HD23 LEU 67 2HD2 LEU 67 -2.676 -7.949 -2.841 539 H GLY 68 H GLY 68 -4.551 -6.957 -8.630 540 HA2 GLY 68 2HA GLY 68 -2.250 -7.453 -10.420 541 HA3 GLY 68 1HA GLY 68 -3.856 -7.080 -11.041 542 H LYS 69 H LYS 69 -3.079 -5.208 -12.098 543 HA LYS 69 HA LYS 69 -1.534 -3.153 -11.188 544 HB2 LYS 69 2HB LYS 69 -2.664 -3.378 -13.440 545 HB3 LYS 69 1HB LYS 69 -4.113 -2.708 -12.690 546 HG2 LYS 69 2HG LYS 69 -3.083 -0.631 -12.269 547 HG3 LYS 69 1HG LYS 69 -1.461 -1.295 -12.470 548 HD2 LYS 69 2HD LYS 69 -2.068 0.016 -14.452 549 HD3 LYS 69 1HD LYS 69 -1.951 -1.693 -14.877 550 HE2 LYS 69 2HE LYS 69 -4.231 -1.922 -15.162 551 HE3 LYS 69 1HE LYS 69 -4.610 -0.663 -13.988 552 HZ1 LYS 69 3HZ LYS 69 -3.460 0.852 -15.740 553 HZ2 LYS 69 1HZ LYS 69 -5.080 0.391 -15.948 554 HZ3 LYS 69 2HZ LYS 69 -3.853 -0.405 -16.814 555 H GLY 70 H GLY 70 -1.697 -1.440 -9.847 556 HA2 GLY 70 2HA GLY 70 -2.680 0.170 -8.487 557 HA3 GLY 70 1HA GLY 70 -4.232 -0.611 -8.709 558 H ASP 71 H ASP 71 -2.428 -3.157 -7.909 559 HA ASP 71 HA ASP 71 -3.490 -3.536 -5.387 560 HB2 ASP 71 2HB ASP 71 -2.180 -5.416 -5.226 561 HB3 ASP 71 1HB ASP 71 -2.105 -5.137 -6.958 562 H LEU 72 H LEU 72 -2.567 -3.505 -3.279 563 HA LEU 72 HA LEU 72 -0.291 -1.688 -2.867 564 HB2 LEU 72 2HB LEU 72 -2.335 -0.309 -2.681 565 HB3 LEU 72 1HB LEU 72 -2.963 -1.417 -1.461 566 HG LEU 72 HG LEU 72 -0.609 -0.913 -0.310 567 HD11 LEU 72 1HD1 LEU 72 0.449 1.004 -0.944 568 HD12 LEU 72 2HD1 LEU 72 -1.064 1.823 -1.332 569 HD13 LEU 72 3HD1 LEU 72 -0.351 0.698 -2.487 570 HD21 LEU 72 3HD2 LEU 72 -2.944 -0.450 0.551 571 HD22 LEU 72 1HD2 LEU 72 -2.853 1.123 -0.241 572 HD23 LEU 72 2HD2 LEU 72 -1.734 0.725 1.063 573 H ILE 73 H ILE 73 0.968 -2.237 -1.133 574 HA ILE 73 HA ILE 73 0.098 -4.579 0.415 575 HB ILE 73 HB ILE 73 1.918 -5.384 -0.758 576 HG12 ILE 73 2HG1 ILE 73 3.853 -5.447 0.703 577 HG13 ILE 73 1HG1 ILE 73 3.340 -3.969 1.512 578 HG21 ILE 73 1HG2 ILE 73 2.599 -2.562 -0.732 579 HG22 ILE 73 2HG2 ILE 73 2.542 -3.709 -2.074 580 HG23 ILE 73 3HG2 ILE 73 3.914 -3.719 -0.955 581 HD11 ILE 73 3HD1 ILE 73 2.746 -6.596 2.291 582 HD12 ILE 73 1HD1 ILE 73 1.246 -5.979 1.603 583 HD13 ILE 73 2HD1 ILE 73 2.024 -5.121 2.931 584 H GLY 74 H GLY 74 -0.125 -4.339 2.501 585 HA2 GLY 74 2HA GLY 74 1.177 -3.560 4.548 586 HA3 GLY 74 1HA GLY 74 1.017 -1.963 3.825 587 H SER 75 H SER 75 -0.028 -3.071 6.389 588 HA SER 75 HA SER 75 -2.892 -3.246 6.050 589 HB2 SER 75 2HB SER 75 -2.689 -2.998 8.674 590 HB3 SER 75 1HB SER 75 -2.243 -4.506 7.875 591 HG SER 75 HG SER 75 -0.682 -2.616 9.138 592 H ASP 76 H ASP 76 -4.395 -1.697 6.395 593 HA ASP 76 HA ASP 76 -3.789 1.003 6.063 594 HB2 ASP 76 2HB ASP 76 -6.101 1.443 6.730 595 HB3 ASP 76 1HB ASP 76 -6.027 0.035 5.670 596 H SER 77 H SER 77 -5.050 2.497 7.951 597 HA SER 77 HA SER 77 -4.829 3.453 10.037 598 HB2 SER 77 2HB SER 77 -4.821 0.728 10.562 599 HB3 SER 77 1HB SER 77 -3.353 1.305 11.346 600 HG SER 77 HG SER 77 -4.818 3.047 12.160 601 H LEU 78 H LEU 78 -2.926 3.968 8.071 602 HA LEU 78 HA LEU 78 -0.258 3.599 8.634 603 HB2 LEU 78 2HB LEU 78 -1.784 5.340 6.999 604 HB3 LEU 78 1HB LEU 78 -0.633 6.343 7.880 605 HG LEU 78 HG LEU 78 1.167 4.697 7.209 606 HD11 LEU 78 1HD1 LEU 78 -1.222 3.526 5.847 607 HD12 LEU 78 2HD1 LEU 78 0.166 2.716 6.579 608 HD13 LEU 78 3HD1 LEU 78 0.321 3.467 4.991 609 HD21 LEU 78 3HD2 LEU 78 0.899 5.437 4.653 610 HD22 LEU 78 1HD2 LEU 78 1.295 6.608 5.911 611 HD23 LEU 78 2HD2 LEU 78 -0.366 6.459 5.339 612 H THR 79 H THR 79 -2.456 6.014 10.015 613 HA THR 79 HA THR 79 -0.548 7.388 11.577 614 HB THR 79 HB THR 79 -3.089 7.370 12.897 615 HG1 THR 79 1HG THR 79 -4.097 6.634 11.125 616 HG21 THR 79 3HG2 THR 79 -3.116 9.723 12.009 617 HG22 THR 79 1HG2 THR 79 -1.667 9.335 11.084 618 HG23 THR 79 2HG2 THR 79 -1.625 9.293 12.847 619 H LYS 80 H LYS 80 -2.868 4.837 12.488 620 HA LYS 80 HA LYS 80 -1.345 4.380 14.963 621 HB2 LYS 80 2HB LYS 80 -3.947 4.659 14.797 622 HB3 LYS 80 1HB LYS 80 -3.902 2.972 14.282 623 HG2 LYS 80 2HG LYS 80 -2.350 2.661 16.378 624 HG3 LYS 80 1HG LYS 80 -3.093 4.167 16.917 625 HD2 LYS 80 2HD LYS 80 -5.259 3.225 16.960 626 HD3 LYS 80 1HD LYS 80 -4.781 1.863 15.946 627 HE2 LYS 80 2HE LYS 80 -3.949 0.682 17.701 628 HE3 LYS 80 1HE LYS 80 -3.261 2.115 18.464 629 HZ1 LYS 80 3HZ LYS 80 -4.969 1.497 19.882 630 HZ2 LYS 80 1HZ LYS 80 -6.023 1.091 18.615 631 HZ3 LYS 80 2HZ LYS 80 -5.681 2.722 18.944 632 H GLU 81 H GLU 81 -0.410 3.543 12.284 633 HA GLU 81 HA GLU 81 -0.795 0.757 11.931 634 HB2 GLU 81 2HB GLU 81 0.039 1.974 10.072 635 HB3 GLU 81 1HB GLU 81 1.361 2.660 11.017 636 HG2 GLU 81 2HG GLU 81 2.658 0.817 10.759 637 HG3 GLU 81 1HG GLU 81 1.301 -0.281 11.016 638 H GLN 82 H GLN 82 -0.492 -0.403 13.790 639 HA GLN 82 HA GLN 82 1.749 -0.091 15.524 640 HB2 GLN 82 2HB GLN 82 -0.666 -1.535 15.561 641 HB3 GLN 82 1HB GLN 82 0.623 -2.732 15.635 642 HG2 GLN 82 2HG GLN 82 -0.049 -1.946 17.884 643 HG3 GLN 82 1HG GLN 82 1.638 -1.618 17.512 644 HE21 GLN 82 1HE2 GLN 82 2.059 0.354 18.566 645 HE22 GLN 82 2HE2 GLN 82 1.117 1.753 18.381 646 H VAL 83 H VAL 83 3.132 -2.128 15.998 647 HA VAL 83 HA VAL 83 4.743 -2.585 13.687 648 HB VAL 83 HB VAL 83 6.217 -3.707 15.127 649 HG11 VAL 83 1HG1 VAL 83 4.558 -1.782 16.780 650 HG12 VAL 83 2HG1 VAL 83 6.000 -1.403 15.838 651 HG13 VAL 83 3HG1 VAL 83 6.129 -2.406 17.284 652 HG21 VAL 83 3HG2 VAL 83 5.309 -4.533 17.416 653 HG22 VAL 83 1HG2 VAL 83 4.926 -5.491 15.987 654 HG23 VAL 83 2HG2 VAL 83 3.717 -4.402 16.671 655 H ILE 84 H ILE 84 4.152 -3.892 12.083 656 HA ILE 84 HA ILE 84 2.833 -6.453 12.763 657 HB ILE 84 HB ILE 84 2.282 -4.489 10.562 658 HG12 ILE 84 2HG1 ILE 84 0.316 -6.183 12.092 659 HG13 ILE 84 1HG1 ILE 84 1.019 -4.751 12.845 660 HG21 ILE 84 1HG2 ILE 84 1.987 -7.483 10.524 661 HG22 ILE 84 2HG2 ILE 84 2.522 -6.404 9.235 662 HG23 ILE 84 3HG2 ILE 84 0.816 -6.474 9.676 663 HD11 ILE 84 3HD1 ILE 84 0.196 -3.334 11.060 664 HD12 ILE 84 1HD1 ILE 84 -1.152 -4.296 11.665 665 HD13 ILE 84 2HD1 ILE 84 -0.365 -4.736 10.149 666 H LYS 85 H LYS 85 3.618 -8.267 11.909 667 HA LYS 85 HA LYS 85 5.984 -8.004 10.166 668 HB2 LYS 85 2HB LYS 85 6.087 -10.570 11.067 669 HB3 LYS 85 1HB LYS 85 6.894 -9.216 11.852 670 HG2 LYS 85 2HG LYS 85 5.264 -9.017 13.505 671 HG3 LYS 85 1HG LYS 85 4.047 -9.838 12.532 672 HD2 LYS 85 2HD LYS 85 5.524 -11.925 12.712 673 HD3 LYS 85 1HD LYS 85 6.403 -11.060 13.972 674 HE2 LYS 85 2HE LYS 85 3.827 -12.395 14.122 675 HE3 LYS 85 1HE LYS 85 4.857 -11.798 15.423 676 HZ1 LYS 85 3HZ LYS 85 3.230 -10.313 15.708 677 HZ2 LYS 85 1HZ LYS 85 2.578 -10.559 14.164 678 HZ3 LYS 85 2HZ LYS 85 3.906 -9.520 14.367 679 H THR 86 H THR 86 6.075 -9.122 8.282 680 HA THR 86 HA THR 86 3.608 -9.888 7.076 681 HB THR 86 HB THR 86 6.357 -10.529 6.024 682 HG1 THR 86 1HG THR 86 5.645 -8.328 4.959 683 HG21 THR 86 3HG2 THR 86 5.115 -11.291 4.310 684 HG22 THR 86 1HG2 THR 86 4.634 -9.621 4.015 685 HG23 THR 86 2HG2 THR 86 3.633 -10.661 5.028 686 H ASN 87 H ASN 87 2.578 -11.729 7.393 687 HA ASN 87 HA ASN 87 3.916 -14.017 8.560 688 HB2 ASN 87 2HB ASN 87 1.543 -13.157 9.083 689 HB3 ASN 87 1HB ASN 87 1.071 -13.954 7.582 690 HD21 ASN 87 1HD2 ASN 87 3.602 -15.149 9.794 691 HD22 ASN 87 2HD2 ASN 87 2.772 -16.561 10.238 692 H ALA 88 H ALA 88 2.445 -13.175 5.446 693 HA ALA 88 HA ALA 88 3.177 -15.803 4.393 694 HB1 ALA 88 1HB ALA 88 1.044 -15.402 3.623 695 HB2 ALA 88 2HB ALA 88 1.973 -14.693 2.300 696 HB3 ALA 88 3HB ALA 88 1.289 -13.657 3.554 697 H ASN 89 H ASN 89 3.627 -15.368 1.804 698 HA ASN 89 HA ASN 89 6.054 -13.662 1.779 699 HB2 ASN 89 2HB ASN 89 5.431 -16.206 0.229 700 HB3 ASN 89 1HB ASN 89 6.877 -15.227 0.010 701 HD21 ASN 89 1HD2 ASN 89 8.469 -16.634 0.879 702 HD22 ASN 89 2HD2 ASN 89 8.435 -17.215 2.473 703 H VAL 90 H VAL 90 6.546 -12.821 -0.482 704 HA VAL 90 HA VAL 90 4.116 -12.301 -2.030 705 HB VAL 90 HB VAL 90 5.993 -10.435 -0.707 706 HG11 VAL 90 1HG1 VAL 90 6.351 -10.058 -3.079 707 HG12 VAL 90 2HG1 VAL 90 5.519 -8.689 -2.352 708 HG13 VAL 90 3HG1 VAL 90 4.626 -9.854 -3.336 709 HG21 VAL 90 3HG2 VAL 90 3.493 -10.967 -0.137 710 HG22 VAL 90 1HG2 VAL 90 3.139 -9.930 -1.519 711 HG23 VAL 90 2HG2 VAL 90 4.024 -9.284 -0.137 712 H LYS 91 H LYS 91 4.375 -12.781 -4.091 713 HA LYS 91 HA LYS 91 7.073 -12.585 -5.237 714 HB2 LYS 91 2HB LYS 91 7.008 -14.878 -5.057 715 HB3 LYS 91 1HB LYS 91 5.250 -14.940 -5.166 716 HG2 LYS 91 2HG LYS 91 5.261 -14.716 -7.505 717 HG3 LYS 91 1HG LYS 91 6.896 -14.056 -7.528 718 HD2 LYS 91 2HD LYS 91 7.818 -16.112 -7.651 719 HD3 LYS 91 1HD LYS 91 6.834 -16.701 -6.312 720 HE2 LYS 91 2HE LYS 91 5.126 -17.436 -7.707 721 HE3 LYS 91 1HE LYS 91 5.536 -16.294 -8.986 722 HZ1 LYS 91 3HZ LYS 91 7.402 -17.563 -9.599 723 HZ2 LYS 91 1HZ LYS 91 6.138 -18.679 -9.411 724 HZ3 LYS 91 2HZ LYS 91 7.319 -18.523 -8.199 725 H ALA 92 H ALA 92 7.058 -11.207 -6.868 726 HA ALA 92 HA ALA 92 4.679 -10.232 -8.081 727 HB1 ALA 92 1HB ALA 92 6.477 -8.733 -8.193 728 HB2 ALA 92 2HB ALA 92 6.428 -9.387 -9.831 729 HB3 ALA 92 3HB ALA 92 7.618 -9.988 -8.676 730 H LEU 93 H LEU 93 3.450 -11.302 -9.478 731 HA LEU 93 HA LEU 93 4.249 -13.746 -10.710 732 HB2 LEU 93 2HB LEU 93 1.825 -12.260 -10.306 733 HB3 LEU 93 1HB LEU 93 1.945 -12.716 -12.004 734 HG LEU 93 HG LEU 93 2.237 -15.047 -11.423 735 HD11 LEU 93 1HD1 LEU 93 3.356 -15.434 -9.492 736 HD12 LEU 93 2HD1 LEU 93 1.791 -15.266 -8.698 737 HD13 LEU 93 3HD1 LEU 93 2.877 -13.880 -8.808 738 HD21 LEU 93 3HD2 LEU 93 0.063 -15.503 -10.573 739 HD22 LEU 93 1HD2 LEU 93 -0.087 -13.930 -11.358 740 HD23 LEU 93 2HD2 LEU 93 0.048 -14.030 -9.603 741 H THR 94 H THR 94 3.558 -10.484 -11.902 742 HA THR 94 HA THR 94 5.170 -11.075 -14.305 743 HB THR 94 HB THR 94 3.621 -9.466 -15.509 744 HG1 THR 94 1HG THR 94 2.751 -8.800 -13.345 745 HG21 THR 94 3HG2 THR 94 1.827 -11.647 -14.708 746 HG22 THR 94 1HG2 THR 94 3.454 -12.189 -15.119 747 HG23 THR 94 2HG2 THR 94 2.506 -11.275 -16.291 748 H TYR 95 H TYR 95 6.409 -9.316 -15.086 749 HA TYR 95 HA TYR 95 7.654 -7.709 -13.243 750 HB2 TYR 95 2HB TYR 95 7.527 -6.192 -15.639 751 HB3 TYR 95 1HB TYR 95 8.849 -7.214 -15.072 752 HD1 TYR 95 2HD TYR 95 5.371 -7.883 -16.323 753 HD2 TYR 95 1HD TYR 95 9.573 -8.667 -16.744 754 HE1 TYR 95 2HE TYR 95 4.888 -9.497 -18.142 755 HE2 TYR 95 1HE TYR 95 9.090 -10.280 -18.564 756 HH TYR 95 HH TYR 95 5.779 -11.185 -19.384 757 H CYS 96 H CYS 96 7.039 -6.047 -12.028 758 HA CYS 96 HA CYS 96 4.956 -4.241 -13.027 759 HB2 CYS 96 2HB CYS 96 3.520 -4.517 -11.238 760 HB3 CYS 96 1HB CYS 96 4.120 -6.163 -11.426 761 HG CYS 96 HG CYS 96 4.825 -5.916 -9.060 762 H ASP 97 H ASP 97 5.038 -2.181 -12.228 763 HA ASP 97 HA ASP 97 7.551 -1.454 -10.896 764 HB2 ASP 97 2HB ASP 97 7.237 -0.055 -12.744 765 HB3 ASP 97 1HB ASP 97 5.495 0.044 -12.496 766 H LEU 98 H LEU 98 7.591 -0.927 -8.782 767 HA LEU 98 HA LEU 98 4.993 -0.357 -7.495 768 HB2 LEU 98 2HB LEU 98 7.312 -1.674 -6.101 769 HB3 LEU 98 1HB LEU 98 5.627 -1.598 -5.592 770 HG LEU 98 HG LEU 98 5.230 -2.825 -7.919 771 HD11 LEU 98 1HD1 LEU 98 7.427 -2.934 -8.779 772 HD12 LEU 98 2HD1 LEU 98 7.165 -4.540 -8.101 773 HD13 LEU 98 3HD1 LEU 98 8.119 -3.352 -7.211 774 HD21 LEU 98 3HD2 LEU 98 4.729 -3.624 -5.567 775 HD22 LEU 98 1HD2 LEU 98 6.342 -4.337 -5.541 776 HD23 LEU 98 2HD2 LEU 98 5.145 -4.905 -6.705 777 H GLN 99 H GLN 99 4.829 1.397 -6.291 778 HA GLN 99 HA GLN 99 7.273 2.978 -5.784 779 HB2 GLN 99 2HB GLN 99 4.565 4.185 -5.471 780 HB3 GLN 99 1HB GLN 99 6.050 4.906 -6.091 781 HG2 GLN 99 2HG GLN 99 5.811 3.757 -8.203 782 HG3 GLN 99 1HG GLN 99 4.456 2.810 -7.590 783 HE21 GLN 99 1HE2 GLN 99 3.889 4.221 -9.858 784 HE22 GLN 99 2HE2 GLN 99 2.953 5.592 -9.507 785 H TYR 100 H TYR 100 7.822 3.346 -3.673 786 HA TYR 100 HA TYR 100 5.813 2.993 -1.606 787 HB2 TYR 100 2HB TYR 100 6.907 1.251 -0.412 788 HB3 TYR 100 1HB TYR 100 6.755 0.693 -2.071 789 HD1 TYR 100 2HD TYR 100 9.115 2.578 -3.094 790 HD2 TYR 100 1HD TYR 100 8.720 -0.231 0.130 791 HE1 TYR 100 2HE TYR 100 11.550 2.176 -3.144 792 HE2 TYR 100 1HE TYR 100 11.159 -0.640 0.057 793 HH TYR 100 HH TYR 100 13.022 -0.410 -1.382 794 H ILE 101 H ILE 101 6.658 3.383 0.562 795 HA ILE 101 HA ILE 101 9.091 4.946 0.753 796 HB ILE 101 HB ILE 101 8.100 6.955 0.515 797 HG12 ILE 101 2HG1 ILE 101 7.807 6.630 3.067 798 HG13 ILE 101 1HG1 ILE 101 6.805 7.848 2.281 799 HG21 ILE 101 1HG2 ILE 101 5.608 5.295 0.461 800 HG22 ILE 101 2HG2 ILE 101 6.451 6.019 -0.914 801 HG23 ILE 101 3HG2 ILE 101 5.576 7.044 0.227 802 HD11 ILE 101 3HD1 ILE 101 5.710 5.097 2.302 803 HD12 ILE 101 1HD1 ILE 101 4.902 6.644 2.487 804 HD13 ILE 101 2HD1 ILE 101 5.754 5.931 3.857 805 H SER 102 H SER 102 9.680 5.376 2.975 806 HA SER 102 HA SER 102 8.752 3.283 4.738 807 HB2 SER 102 2HB SER 102 10.395 4.296 6.335 808 HB3 SER 102 1HB SER 102 11.105 3.835 4.792 809 HG SER 102 HG SER 102 10.560 6.131 4.210 810 H LEU 103 H LEU 103 7.130 3.469 6.139 811 HA LEU 103 HA LEU 103 5.358 5.558 6.288 812 HB2 LEU 103 2HB LEU 103 5.139 3.233 7.296 813 HB3 LEU 103 1HB LEU 103 6.033 3.845 8.684 814 HG LEU 103 HG LEU 103 3.652 5.364 7.663 815 HD11 LEU 103 1HD1 LEU 103 3.704 2.811 9.245 816 HD12 LEU 103 2HD1 LEU 103 2.669 3.242 7.882 817 HD13 LEU 103 3HD1 LEU 103 2.397 3.977 9.464 818 HD21 LEU 103 3HD2 LEU 103 3.960 5.104 10.529 819 HD22 LEU 103 1HD2 LEU 103 4.025 6.561 9.541 820 HD23 LEU 103 2HD2 LEU 103 5.485 5.616 9.811 821 H LYS 104 H LYS 104 8.405 5.155 7.960 822 HA LYS 104 HA LYS 104 8.083 7.305 9.812 823 HB2 LYS 104 2HB LYS 104 10.752 6.398 8.766 824 HB3 LYS 104 1HB LYS 104 10.318 6.928 10.392 825 HG2 LYS 104 2HG LYS 104 8.842 4.869 10.554 826 HG3 LYS 104 1HG LYS 104 9.581 4.316 9.052 827 HD2 LYS 104 2HD LYS 104 11.801 4.972 10.489 828 HD3 LYS 104 1HD LYS 104 10.722 4.442 11.779 829 HE2 LYS 104 2HE LYS 104 11.663 2.883 9.371 830 HE3 LYS 104 1HE LYS 104 11.816 2.461 11.076 831 HZ1 LYS 104 3HZ LYS 104 10.021 1.276 9.805 832 HZ2 LYS 104 1HZ LYS 104 9.194 2.756 9.732 833 HZ3 LYS 104 2HZ LYS 104 9.523 2.041 11.238 834 H GLY 105 H GLY 105 9.186 7.006 6.508 835 HA2 GLY 105 2HA GLY 105 10.386 9.596 6.263 836 HA3 GLY 105 1HA GLY 105 9.899 8.532 4.946 837 H LEU 106 H LEU 106 7.256 8.199 5.465 838 HA LEU 106 HA LEU 106 6.118 10.508 4.276 839 HB2 LEU 106 2HB LEU 106 5.448 8.087 4.056 840 HB3 LEU 106 1HB LEU 106 4.604 8.281 5.581 841 HG LEU 106 HG LEU 106 3.947 10.522 3.970 842 HD11 LEU 106 1HD1 LEU 106 3.246 9.697 1.924 843 HD12 LEU 106 2HD1 LEU 106 3.196 8.028 2.487 844 HD13 LEU 106 3HD1 LEU 106 4.745 8.805 2.151 845 HD21 LEU 106 3HD2 LEU 106 2.240 8.082 4.483 846 HD22 LEU 106 1HD2 LEU 106 1.720 9.763 4.354 847 HD23 LEU 106 2HD2 LEU 106 2.644 9.232 5.758 848 H ARG 107 H ARG 107 5.845 9.104 7.531 849 HA ARG 107 HA ARG 107 4.003 11.047 8.420 850 HB2 ARG 107 2HB ARG 107 4.509 8.691 9.392 851 HB3 ARG 107 1HB ARG 107 5.697 9.563 10.335 852 HG2 ARG 107 2HG ARG 107 3.699 9.525 11.650 853 HG3 ARG 107 1HG ARG 107 3.869 11.164 11.021 854 HD2 ARG 107 2HD ARG 107 1.607 10.617 10.611 855 HD3 ARG 107 1HD ARG 107 2.406 10.372 9.064 856 HE ARG 107 HE ARG 107 1.451 8.255 10.868 857 HH11 ARG 107 1HH2 ARG 107 2.952 9.279 7.918 858 HH12 ARG 107 2HH2 ARG 107 2.740 7.756 7.124 859 HH21 ARG 107 1HH1 ARG 107 1.174 6.258 9.828 860 HH22 ARG 107 2HH1 ARG 107 1.735 6.047 8.203 861 H GLU 108 H GLU 108 7.432 10.960 8.300 862 HA GLU 108 HA GLU 108 7.923 13.066 10.194 863 HB2 GLU 108 2HB GLU 108 9.610 11.320 9.385 864 HB3 GLU 108 1HB GLU 108 9.739 12.281 7.911 865 HG2 GLU 108 2HG GLU 108 11.349 13.406 9.058 866 HG3 GLU 108 1HG GLU 108 9.984 14.221 9.818 867 H VAL 109 H VAL 109 7.959 12.876 6.664 868 HA VAL 109 HA VAL 109 8.299 15.603 6.100 869 HB VAL 109 HB VAL 109 6.948 14.905 3.953 870 HG11 VAL 109 1HG1 VAL 109 9.340 15.001 3.821 871 HG12 VAL 109 2HG1 VAL 109 8.916 13.356 3.315 872 HG13 VAL 109 3HG1 VAL 109 9.513 13.648 4.943 873 HG21 VAL 109 3HG2 VAL 109 7.255 12.259 3.899 874 HG22 VAL 109 1HG2 VAL 109 5.750 13.030 4.384 875 HG23 VAL 109 2HG2 VAL 109 6.868 12.452 5.601 876 H LEU 110 H LEU 110 5.583 13.597 6.891 877 HA LEU 110 HA LEU 110 3.503 15.513 6.588 878 HB2 LEU 110 2HB LEU 110 3.934 12.867 7.687 879 HB3 LEU 110 1HB LEU 110 2.706 13.746 8.542 880 HG LEU 110 HG LEU 110 1.545 14.167 6.411 881 HD11 LEU 110 1HD1 LEU 110 3.947 13.857 5.236 882 HD12 LEU 110 2HD1 LEU 110 2.428 13.770 4.368 883 HD13 LEU 110 3HD1 LEU 110 3.226 12.294 4.895 884 HD21 LEU 110 3HD2 LEU 110 1.163 11.663 5.794 885 HD22 LEU 110 1HD2 LEU 110 0.784 12.157 7.440 886 HD23 LEU 110 2HD2 LEU 110 2.294 11.326 7.093 887 H ARG 111 H ARG 111 5.836 14.772 9.115 888 HA ARG 111 HA ARG 111 4.646 16.021 11.306 889 HB2 ARG 111 2HB ARG 111 6.873 14.754 11.251 890 HB3 ARG 111 1HB ARG 111 7.591 16.252 10.659 891 HG2 ARG 111 2HG ARG 111 7.414 17.295 12.677 892 HG3 ARG 111 1HG ARG 111 5.856 16.554 13.038 893 HD2 ARG 111 2HD ARG 111 7.138 14.368 13.389 894 HD3 ARG 111 1HD ARG 111 8.605 15.344 13.362 895 HE ARG 111 HE ARG 111 6.885 16.538 15.202 896 HH11 ARG 111 1HH2 ARG 111 8.496 13.516 14.709 897 HH12 ARG 111 2HH2 ARG 111 8.650 13.165 16.398 898 HH21 ARG 111 1HH1 ARG 111 7.081 16.085 17.419 899 HH22 ARG 111 2HH1 ARG 111 7.848 14.620 17.933 900 H LEU 112 H LEU 112 6.447 17.310 8.569 901 HA LEU 112 HA LEU 112 6.528 20.018 9.419 902 HB2 LEU 112 2HB LEU 112 7.232 18.527 7.070 903 HB3 LEU 112 1HB LEU 112 6.264 19.920 6.584 904 HG LEU 112 HG LEU 112 8.564 20.175 8.527 905 HD11 LEU 112 1HD1 LEU 112 9.897 20.958 6.561 906 HD12 LEU 112 2HD1 LEU 112 8.594 20.418 5.503 907 HD13 LEU 112 3HD1 LEU 112 9.489 19.245 6.469 908 HD21 LEU 112 3HD2 LEU 112 7.355 22.203 6.630 909 HD22 LEU 112 1HD2 LEU 112 8.409 22.507 8.012 910 HD23 LEU 112 2HD2 LEU 112 6.752 21.962 8.270 911 H TYR 113 H TYR 113 4.186 18.021 7.729 912 HA TYR 113 HA TYR 113 2.196 20.216 7.964 913 HB2 TYR 113 2HB TYR 113 2.379 18.037 5.867 914 HB3 TYR 113 1HB TYR 113 1.031 19.161 6.031 915 HD1 TYR 113 1HD TYR 113 4.625 18.854 5.215 916 HD2 TYR 113 2HD TYR 113 1.231 21.481 5.387 917 HE1 TYR 113 1HE TYR 113 5.871 20.550 3.900 918 HE2 TYR 113 2HE TYR 113 2.475 23.176 4.074 919 HH TYR 113 HH TYR 113 5.208 23.620 3.768 920 HA PRO 114 HA PRO 114 1.005 16.747 10.773 921 HB2 PRO 114 2HB PRO 114 -0.149 18.916 12.380 922 HB3 PRO 114 1HB PRO 114 1.069 17.709 12.823 923 HG2 PRO 114 2HG PRO 114 1.653 20.317 12.476 924 HG3 PRO 114 1HG PRO 114 2.806 19.014 12.142 925 HD2 PRO 114 2HD PRO 114 1.173 20.626 10.209 926 HD3 PRO 114 1HD PRO 114 2.838 20.022 10.054 927 H GLU 115 H GLU 115 -1.043 19.528 9.818 928 HA GLU 115 HA GLU 115 -3.502 18.253 10.487 929 HB2 GLU 115 2HB GLU 115 -2.760 20.606 8.765 930 HB3 GLU 115 1HB GLU 115 -4.421 20.013 8.819 931 HG2 GLU 115 2HG GLU 115 -4.220 20.148 11.373 932 HG3 GLU 115 1HG GLU 115 -2.753 21.087 11.098 933 H TYR 116 H TYR 116 -1.850 18.776 7.395 934 HA TYR 116 HA TYR 116 -3.653 17.286 5.812 935 HB2 TYR 116 2HB TYR 116 -0.742 18.013 5.463 936 HB3 TYR 116 1HB TYR 116 -1.669 17.158 4.237 937 HD1 TYR 116 1HD TYR 116 -4.017 18.244 3.641 938 HD2 TYR 116 2HD TYR 116 -0.722 20.345 5.423 939 HE1 TYR 116 1HE TYR 116 -4.966 20.397 2.855 940 HE2 TYR 116 2HE TYR 116 -1.669 22.499 4.636 941 HH TYR 116 HH TYR 116 -4.860 22.693 3.223 942 H ALA 117 H ALA 117 -0.887 16.455 7.768 943 HA ALA 117 HA ALA 117 -0.357 13.885 6.832 944 HB1 ALA 117 1HB ALA 117 1.162 15.013 8.325 945 HB2 ALA 117 2HB ALA 117 0.625 13.527 9.111 946 HB3 ALA 117 3HB ALA 117 -0.064 15.076 9.588 947 H GLN 118 H GLN 118 -2.299 14.723 9.711 948 HA GLN 118 HA GLN 118 -3.188 12.148 10.250 949 HB2 GLN 118 2HB GLN 118 -4.776 14.726 10.481 950 HB3 GLN 118 1HB GLN 118 -5.109 13.224 11.328 951 HG2 GLN 118 2HG GLN 118 -2.735 15.047 11.674 952 HG3 GLN 118 1HG GLN 118 -3.923 14.564 12.885 953 HE21 GLN 118 1HE2 GLN 118 -1.284 13.235 10.842 954 HE22 GLN 118 2HE2 GLN 118 -0.914 11.956 11.894 955 H LYS 119 H LYS 119 -3.983 14.449 7.825 956 HA LYS 119 HA LYS 119 -6.329 13.164 6.797 957 HB2 LYS 119 2HB LYS 119 -5.118 15.629 6.469 958 HB3 LYS 119 1HB LYS 119 -4.837 14.833 4.921 959 HG2 LYS 119 2HG LYS 119 -7.272 14.262 4.827 960 HG3 LYS 119 1HG LYS 119 -7.510 15.207 6.298 961 HD2 LYS 119 2HD LYS 119 -6.110 16.979 4.755 962 HD3 LYS 119 1HD LYS 119 -7.045 16.123 3.529 963 HE2 LYS 119 2HE LYS 119 -9.118 16.573 4.769 964 HE3 LYS 119 1HE LYS 119 -8.198 17.397 6.027 965 HZ1 LYS 119 3HZ LYS 119 -9.287 18.649 3.955 966 HZ2 LYS 119 1HZ LYS 119 -7.755 18.320 3.310 967 HZ3 LYS 119 2HZ LYS 119 -7.894 19.207 4.751 968 H PHE 120 H PHE 120 -2.849 12.770 6.299 969 HA PHE 120 HA PHE 120 -2.774 11.739 3.728 970 HB2 PHE 120 2HB PHE 120 -1.000 12.022 5.795 971 HB3 PHE 120 1HB PHE 120 -1.118 10.269 5.645 972 HD1 PHE 120 1HD PHE 120 -0.908 9.266 3.248 973 HD2 PHE 120 2HD PHE 120 0.320 13.248 4.301 974 HE1 PHE 120 1HE PHE 120 0.606 9.326 1.286 975 HE2 PHE 120 2HE PHE 120 1.812 13.312 2.321 976 HZ PHE 120 HZ PHE 120 1.954 11.347 0.820 977 H VAL 121 H VAL 121 -3.155 9.853 6.728 978 HA VAL 121 HA VAL 121 -3.447 7.371 5.527 979 HB VAL 121 HB VAL 121 -4.850 8.198 8.069 980 HG11 VAL 121 1HG1 VAL 121 -3.931 5.688 6.788 981 HG12 VAL 121 2HG1 VAL 121 -5.313 5.967 7.844 982 HG13 VAL 121 3HG1 VAL 121 -3.696 5.801 8.529 983 HG21 VAL 121 3HG2 VAL 121 -1.963 8.139 7.397 984 HG22 VAL 121 1HG2 VAL 121 -2.410 7.312 8.888 985 HG23 VAL 121 2HG2 VAL 121 -2.802 9.017 8.675 986 H SER 122 H SER 122 -5.891 9.820 6.305 987 HA SER 122 HA SER 122 -8.221 8.405 5.932 988 HB2 SER 122 2HB SER 122 -8.123 10.784 6.598 989 HB3 SER 122 1HB SER 122 -7.672 11.215 4.951 990 HG SER 122 HG SER 122 -10.105 10.272 5.974 991 H GLU 123 H GLU 123 -5.991 9.583 3.477 992 HA GLU 123 HA GLU 123 -7.780 8.788 1.317 993 HB2 GLU 123 2HB GLU 123 -5.401 10.454 1.599 994 HB3 GLU 123 1HB GLU 123 -5.333 9.409 0.180 995 HG2 GLU 123 2HG GLU 123 -6.435 11.608 -0.278 996 HG3 GLU 123 1HG GLU 123 -7.487 10.228 -0.590 997 H ILE 124 H ILE 124 -4.791 7.667 2.838 998 HA ILE 124 HA ILE 124 -4.010 5.804 0.923 999 HB ILE 124 HB ILE 124 -2.941 6.680 3.214 1000 HG12 ILE 124 2HG1 ILE 124 -2.435 4.341 1.430 1001 HG13 ILE 124 1HG1 ILE 124 -1.465 5.790 1.694 1002 HG21 ILE 124 1HG2 ILE 124 -3.685 3.818 3.862 1003 HG22 ILE 124 2HG2 ILE 124 -4.560 5.203 4.517 1004 HG23 ILE 124 3HG2 ILE 124 -2.855 4.982 4.891 1005 HD11 ILE 124 3HD1 ILE 124 -1.642 3.306 3.386 1006 HD12 ILE 124 1HD1 ILE 124 -1.124 4.835 4.091 1007 HD13 ILE 124 2HD1 ILE 124 -0.205 4.121 2.766 1008 H GLN 125 H GLN 125 -6.137 5.239 3.769 1009 HA GLN 125 HA GLN 125 -6.432 2.465 3.245 1010 HB2 GLN 125 2HB GLN 125 -8.745 3.150 4.569 1011 HB3 GLN 125 1HB GLN 125 -7.216 2.715 5.332 1012 HG2 GLN 125 2HG GLN 125 -8.131 4.865 6.176 1013 HG3 GLN 125 1HG GLN 125 -6.543 5.014 5.431 1014 HE21 GLN 125 1HE2 GLN 125 -9.988 5.723 4.980 1015 HE22 GLN 125 2HE2 GLN 125 -9.774 6.799 3.683 1016 H HIS 126 H HIS 126 -8.334 5.290 2.276 1017 HA HIS 126 HA HIS 126 -10.499 3.911 1.128 1018 HB2 HIS 126 2HB HIS 126 -9.298 6.633 0.693 1019 HB3 HIS 126 1HB HIS 126 -10.646 6.070 -0.294 1020 HD1 HIS 126 1HD HIS 126 -11.173 4.444 2.780 1021 HD2 HIS 126 2HD HIS 126 -11.700 8.387 1.536 1022 HE1 HIS 126 1HE HIS 126 -12.792 5.501 4.415 1023 HE2 HIS 126 2HE HIS 126 -13.123 7.905 3.671 1024 H ASP 127 H ASP 127 -7.250 4.065 0.157 1025 HA ASP 127 HA ASP 127 -7.987 3.170 -2.567 1026 HB2 ASP 127 2HB ASP 127 -6.340 5.321 -1.824 1027 HB3 ASP 127 1HB ASP 127 -5.242 4.051 -2.357 1028 H LEU 128 H LEU 128 -7.251 1.884 0.229 1029 HA LEU 128 HA LEU 128 -4.905 0.338 -0.298 1030 HB2 LEU 128 2HB LEU 128 -5.723 0.793 1.987 1031 HB3 LEU 128 1HB LEU 128 -7.155 -0.183 1.659 1032 HG LEU 128 HG LEU 128 -4.745 -1.634 0.949 1033 HD11 LEU 128 1HD1 LEU 128 -3.596 -0.387 2.651 1034 HD12 LEU 128 2HD1 LEU 128 -4.015 -1.944 3.365 1035 HD13 LEU 128 3HD1 LEU 128 -4.967 -0.511 3.753 1036 HD21 LEU 128 3HD2 LEU 128 -6.728 -2.210 3.160 1037 HD22 LEU 128 1HD2 LEU 128 -5.803 -3.368 2.205 1038 HD23 LEU 128 2HD2 LEU 128 -7.118 -2.460 1.458 1039 H THR 129 H THR 129 -4.673 -1.530 -1.382 1040 HA THR 129 HA THR 129 -7.100 -2.781 -2.492 1041 HB THR 129 HB THR 129 -4.243 -3.261 -3.346 1042 HG1 THR 129 1HG THR 129 -6.106 -1.530 -4.575 1043 HG21 THR 129 3HG2 THR 129 -6.918 -4.162 -4.190 1044 HG22 THR 129 1HG2 THR 129 -5.340 -4.897 -4.475 1045 HG23 THR 129 2HG2 THR 129 -5.901 -3.583 -5.510 1046 H TYR 130 H TYR 130 -3.967 -3.644 -1.005 1047 HA TYR 130 HA TYR 130 -5.281 -6.030 0.126 1048 HB2 TYR 130 2HB TYR 130 -4.068 -7.282 -1.295 1049 HB3 TYR 130 1HB TYR 130 -3.066 -5.916 -1.770 1050 HD1 TYR 130 1HD TYR 130 -3.504 -7.814 1.507 1051 HD2 TYR 130 2HD TYR 130 -0.847 -6.390 -1.571 1052 HE1 TYR 130 1HE TYR 130 -1.579 -8.787 2.702 1053 HE2 TYR 130 2HE TYR 130 1.074 -7.360 -0.348 1054 HH TYR 130 HH TYR 130 1.630 -8.007 1.983 1055 H ASN 131 H ASN 131 -5.251 -5.815 2.222 1056 HA ASN 131 HA ASN 131 -3.167 -4.222 3.517 1057 HB2 ASN 131 2HB ASN 131 -5.115 -3.516 4.476 1058 HB3 ASN 131 1HB ASN 131 -5.942 -5.039 4.162 1059 HD21 ASN 131 1HD2 ASN 131 -4.928 -3.180 6.688 1060 HD22 ASN 131 2HD2 ASN 131 -4.620 -4.391 7.836 1061 H LEU 132 H LEU 132 -1.410 -5.240 4.240 1062 HA LEU 132 HA LEU 132 -1.566 -8.101 4.741 1063 HB2 LEU 132 2HB LEU 132 0.317 -7.168 3.425 1064 HB3 LEU 132 1HB LEU 132 0.805 -6.207 4.810 1065 HG LEU 132 HG LEU 132 1.951 -8.541 4.298 1066 HD11 LEU 132 1HD1 LEU 132 1.381 -7.043 6.741 1067 HD12 LEU 132 2HD1 LEU 132 2.899 -7.738 6.174 1068 HD13 LEU 132 3HD1 LEU 132 1.740 -8.740 7.050 1069 HD21 LEU 132 3HD2 LEU 132 0.936 -10.395 5.478 1070 HD22 LEU 132 1HD2 LEU 132 -0.244 -9.765 4.332 1071 HD23 LEU 132 2HD2 LEU 132 -0.381 -9.375 6.048 1072 H ARG 133 H ARG 133 -2.143 -8.751 6.716 1073 HA ARG 133 HA ARG 133 -1.541 -7.047 9.041 1074 HB2 ARG 133 2HB ARG 133 -3.721 -8.945 8.364 1075 HB3 ARG 133 1HB ARG 133 -3.206 -8.900 10.051 1076 HG2 ARG 133 2HG ARG 133 -3.430 -6.372 9.937 1077 HG3 ARG 133 1HG ARG 133 -4.206 -6.593 8.369 1078 HD2 ARG 133 2HD ARG 133 -5.830 -6.421 10.271 1079 HD3 ARG 133 1HD ARG 133 -5.967 -7.914 9.350 1080 HE ARG 133 HE ARG 133 -4.266 -8.011 11.724 1081 HH11 ARG 133 1HH2 ARG 133 -7.333 -8.591 10.232 1082 HH12 ARG 133 2HH2 ARG 133 -7.853 -9.732 11.427 1083 HH21 ARG 133 1HH1 ARG 133 -4.942 -9.504 13.296 1084 HH22 ARG 133 2HH1 ARG 133 -6.500 -10.249 13.162 1085 H GLU 134 H GLU 134 -0.709 -7.995 10.963 1086 HA GLU 134 HA GLU 134 1.412 -9.804 10.588 1087 HB2 GLU 134 2HB GLU 134 1.641 -9.784 12.992 1088 HB3 GLU 134 1HB GLU 134 1.209 -8.157 12.469 1089 HG2 GLU 134 2HG GLU 134 -0.473 -8.272 13.974 1090 HG3 GLU 134 1HG GLU 134 -1.255 -9.374 12.843 1091 H GLY 135 H GLY 135 1.669 -11.974 11.202 1092 HA2 GLY 135 2HA GLY 135 1.047 -14.162 11.596 1093 HA3 GLY 135 1HA GLY 135 -0.466 -13.555 12.262 Start of MODEL 14 1 H1 MET 1 H MET 1 -12.805 3.979 -19.702 2 HA MET 1 HA MET 1 -14.124 5.854 -18.710 3 HB2 MET 1 2HB MET 1 -14.866 3.556 -16.972 4 HB3 MET 1 1HB MET 1 -14.730 5.137 -16.200 5 HG2 MET 1 2HG MET 1 -17.006 4.926 -16.939 6 HG3 MET 1 1HG MET 1 -16.215 6.048 -18.046 7 HE1 MET 1 3HE MET 1 -18.826 4.958 -19.311 8 HE2 MET 1 1HE MET 1 -18.063 4.706 -20.888 9 HE3 MET 1 2HE MET 1 -17.545 6.038 -19.857 10 H ASN 2 H ASN 2 -13.454 7.032 -16.627 11 HA ASN 2 HA ASN 2 -10.659 6.314 -15.969 12 HB2 ASN 2 2HB ASN 2 -11.340 8.485 -17.413 13 HB3 ASN 2 1HB ASN 2 -11.495 9.153 -15.789 14 HD21 ASN 2 1HD2 ASN 2 -9.551 9.305 -14.473 15 HD22 ASN 2 2HD2 ASN 2 -8.006 9.098 -15.146 16 H LYS 3 H LYS 3 -9.981 6.615 -13.852 17 HA LYS 3 HA LYS 3 -12.160 6.854 -11.892 18 HB2 LYS 3 2HB LYS 3 -9.505 6.146 -10.878 19 HB3 LYS 3 1HB LYS 3 -11.051 5.327 -10.656 20 HG2 LYS 3 2HG LYS 3 -10.849 4.427 -12.985 21 HG3 LYS 3 1HG LYS 3 -9.236 5.137 -13.076 22 HD2 LYS 3 2HD LYS 3 -9.634 3.556 -10.645 23 HD3 LYS 3 1HD LYS 3 -9.826 2.602 -12.115 24 HE2 LYS 3 2HE LYS 3 -7.645 3.093 -12.866 25 HE3 LYS 3 1HE LYS 3 -7.489 4.477 -11.783 26 HZ1 LYS 3 3HZ LYS 3 -6.979 3.170 -10.032 27 HZ2 LYS 3 1HZ LYS 3 -6.436 2.119 -11.246 28 HZ3 LYS 3 2HZ LYS 3 -7.965 1.885 -10.543 29 H GLU 4 H GLU 4 -11.696 8.018 -9.868 30 HA GLU 4 HA GLU 4 -10.947 10.681 -10.315 31 HB2 GLU 4 2HB GLU 4 -11.340 9.029 -7.833 32 HB3 GLU 4 1HB GLU 4 -10.776 10.698 -7.723 33 HG2 GLU 4 2HG GLU 4 -13.272 10.473 -7.565 34 HG3 GLU 4 1HG GLU 4 -12.740 11.502 -8.894 35 H LEU 5 H LEU 5 -9.133 11.887 -9.566 36 HA LEU 5 HA LEU 5 -6.636 10.641 -10.067 37 HB2 LEU 5 2HB LEU 5 -7.612 13.281 -9.813 38 HB3 LEU 5 1HB LEU 5 -6.337 13.112 -8.610 39 HG LEU 5 HG LEU 5 -5.240 13.822 -10.592 40 HD11 LEU 5 1HD1 LEU 5 -4.605 11.441 -9.419 41 HD12 LEU 5 2HD1 LEU 5 -3.614 12.252 -10.625 42 HD13 LEU 5 3HD1 LEU 5 -4.727 10.974 -11.112 43 HD21 LEU 5 3HD2 LEU 5 -5.846 11.814 -12.517 44 HD22 LEU 5 1HD2 LEU 5 -6.243 13.531 -12.587 45 HD23 LEU 5 2HD2 LEU 5 -7.380 12.392 -11.867 46 H LEU 6 H LEU 6 -8.538 11.005 -7.201 47 HA LEU 6 HA LEU 6 -6.583 11.088 -5.238 48 HB2 LEU 6 2HB LEU 6 -8.139 10.150 -3.698 49 HB3 LEU 6 1HB LEU 6 -9.031 11.214 -4.796 50 HG LEU 6 HG LEU 6 -9.319 8.987 -6.212 51 HD11 LEU 6 1HD1 LEU 6 -8.220 7.315 -5.055 52 HD12 LEU 6 2HD1 LEU 6 -9.810 7.187 -4.310 53 HD13 LEU 6 3HD1 LEU 6 -8.520 8.053 -3.482 54 HD21 LEU 6 3HD2 LEU 6 -11.438 8.553 -4.871 55 HD22 LEU 6 1HD2 LEU 6 -11.211 10.219 -5.406 56 HD23 LEU 6 2HD2 LEU 6 -10.869 9.774 -3.733 57 H GLN 7 H GLN 7 -6.206 9.043 -7.609 58 HA GLN 7 HA GLN 7 -5.986 6.489 -6.400 59 HB2 GLN 7 2HB GLN 7 -4.578 5.906 -8.249 60 HB3 GLN 7 1HB GLN 7 -5.732 7.071 -8.903 61 HG2 GLN 7 2HG GLN 7 -3.872 8.822 -8.144 62 HG3 GLN 7 1HG GLN 7 -2.818 7.416 -8.309 63 HE21 GLN 7 1HE2 GLN 7 -5.719 8.067 -10.295 64 HE22 GLN 7 2HE2 GLN 7 -4.872 8.242 -11.756 65 H LEU 8 H LEU 8 -4.167 9.409 -6.494 66 HA LEU 8 HA LEU 8 -2.330 8.366 -4.431 67 HB2 LEU 8 2HB LEU 8 -1.858 10.352 -6.670 68 HB3 LEU 8 1HB LEU 8 -0.767 10.201 -5.299 69 HG LEU 8 HG LEU 8 -1.462 7.635 -6.558 70 HD11 LEU 8 1HD1 LEU 8 0.186 9.650 -8.115 71 HD12 LEU 8 2HD1 LEU 8 -1.447 9.144 -8.544 72 HD13 LEU 8 3HD1 LEU 8 -0.126 7.976 -8.573 73 HD21 LEU 8 3HD2 LEU 8 0.314 7.611 -4.998 74 HD22 LEU 8 1HD2 LEU 8 1.045 9.069 -5.669 75 HD23 LEU 8 2HD2 LEU 8 1.125 7.552 -6.561 76 HA PRO 9 HA PRO 9 -5.347 11.483 -2.804 77 HB2 PRO 9 2HB PRO 9 -4.842 10.090 -0.267 78 HB3 PRO 9 1HB PRO 9 -6.363 10.385 -1.118 79 HG2 PRO 9 2HG PRO 9 -5.247 7.951 -0.963 80 HG3 PRO 9 1HG PRO 9 -6.194 8.480 -2.363 81 HD2 PRO 9 2HD PRO 9 -3.217 8.264 -2.077 82 HD3 PRO 9 1HD PRO 9 -4.249 7.919 -3.485 83 H LEU 10 H LEU 10 -2.614 10.445 -0.762 84 HA LEU 10 HA LEU 10 -2.502 12.816 0.724 85 HB2 LEU 10 2HB LEU 10 -0.108 12.164 1.187 86 HB3 LEU 10 1HB LEU 10 -1.403 11.089 1.742 87 HG LEU 10 HG LEU 10 -0.865 10.258 -0.872 88 HD11 LEU 10 1HD1 LEU 10 1.192 11.731 -0.686 89 HD12 LEU 10 2HD1 LEU 10 1.521 10.019 -1.016 90 HD13 LEU 10 3HD1 LEU 10 1.744 10.655 0.612 91 HD21 LEU 10 3HD2 LEU 10 -1.370 8.642 0.726 92 HD22 LEU 10 1HD2 LEU 10 -0.226 9.288 1.905 93 HD23 LEU 10 2HD2 LEU 10 0.361 8.381 0.505 94 H PHE 11 H PHE 11 -0.466 11.840 -1.980 95 HA PHE 11 HA PHE 11 0.724 14.448 -1.868 96 HB2 PHE 11 2HB PHE 11 2.019 13.430 -3.915 97 HB3 PHE 11 1HB PHE 11 2.506 13.265 -2.246 98 HD1 PHE 11 1HD PHE 11 -0.447 11.438 -3.426 99 HD2 PHE 11 2HD PHE 11 3.780 11.273 -2.770 100 HE1 PHE 11 1HE PHE 11 -0.524 8.960 -3.497 101 HE2 PHE 11 2HE PHE 11 3.711 8.800 -2.859 102 HZ PHE 11 HZ PHE 11 1.554 7.639 -3.217 103 H GLU 12 H GLU 12 -1.327 12.737 -4.223 104 HA GLU 12 HA GLU 12 -1.038 14.635 -6.281 105 HB2 GLU 12 2HB GLU 12 -2.281 12.384 -6.351 106 HB3 GLU 12 1HB GLU 12 -3.652 13.270 -5.698 107 HG2 GLU 12 2HG GLU 12 -3.729 13.150 -8.163 108 HG3 GLU 12 1HG GLU 12 -3.613 14.801 -7.568 109 H SER 13 H SER 13 -2.700 14.819 -3.255 110 HA SER 13 HA SER 13 -4.087 17.273 -4.124 111 HB2 SER 13 2HB SER 13 -4.714 15.135 -2.202 112 HB3 SER 13 1HB SER 13 -5.047 16.766 -1.625 113 HG SER 13 HG SER 13 -5.826 16.576 -4.164 114 H ALA 14 H ALA 14 -1.156 16.747 -3.079 115 HA ALA 14 HA ALA 14 -1.216 18.745 -0.912 116 HB1 ALA 14 1HB ALA 14 0.023 16.316 -0.950 117 HB2 ALA 14 2HB ALA 14 0.558 17.682 0.025 118 HB3 ALA 14 3HB ALA 14 1.316 17.365 -1.542 119 H SER 15 H SER 15 0.306 20.476 -0.989 120 HA SER 15 HA SER 15 0.639 21.656 -3.531 121 HB2 SER 15 2HB SER 15 0.712 22.872 -1.311 122 HB3 SER 15 1HB SER 15 2.314 22.186 -1.059 123 HG SER 15 HG SER 15 2.396 24.263 -2.024 124 H ARG 16 H ARG 16 2.450 21.669 -4.921 125 HA ARG 16 HA ARG 16 3.871 19.342 -5.202 126 HB2 ARG 16 2HB ARG 16 4.490 22.175 -6.009 127 HB3 ARG 16 1HB ARG 16 5.688 20.911 -6.281 128 HG2 ARG 16 2HG ARG 16 2.811 20.718 -7.211 129 HG3 ARG 16 1HG ARG 16 4.131 21.292 -8.230 130 HD2 ARG 16 2HD ARG 16 5.245 19.009 -7.357 131 HD3 ARG 16 1HD ARG 16 3.550 18.542 -7.248 132 HE ARG 16 HE ARG 16 3.532 18.420 -9.555 133 HH11 ARG 16 1HH2 ARG 16 6.079 20.501 -8.477 134 HH12 ARG 16 2HH2 ARG 16 6.713 20.775 -10.065 135 HH21 ARG 16 1HH1 ARG 16 4.358 18.776 -11.640 136 HH22 ARG 16 2HH1 ARG 16 5.740 19.799 -11.855 137 H GLY 17 H GLY 17 4.226 21.806 -2.873 138 HA2 GLY 17 2HA GLY 17 6.912 21.485 -2.092 139 HA3 GLY 17 1HA GLY 17 5.605 22.050 -1.053 140 H CYS 18 H CYS 18 3.922 19.763 -1.135 141 HA CYS 18 HA CYS 18 5.255 18.113 0.804 142 HB2 CYS 18 2HB CYS 18 2.572 18.508 -0.147 143 HB3 CYS 18 1HB CYS 18 2.946 16.782 -0.189 144 HG CYS 18 HG CYS 18 2.141 17.918 2.265 145 H LEU 19 H LEU 19 4.167 17.609 -2.563 146 HA LEU 19 HA LEU 19 5.018 14.967 -2.813 147 HB2 LEU 19 2HB LEU 19 3.734 16.180 -4.560 148 HB3 LEU 19 1HB LEU 19 5.183 17.112 -4.947 149 HG LEU 19 HG LEU 19 6.307 14.762 -5.211 150 HD11 LEU 19 1HD1 LEU 19 4.126 13.684 -4.290 151 HD12 LEU 19 2HD1 LEU 19 4.890 12.938 -5.695 152 HD13 LEU 19 3HD1 LEU 19 3.480 13.974 -5.907 153 HD21 LEU 19 3HD2 LEU 19 4.772 16.463 -7.004 154 HD22 LEU 19 1HD2 LEU 19 4.752 14.786 -7.548 155 HD23 LEU 19 2HD2 LEU 19 6.289 15.615 -7.304 156 H ARG 20 H ARG 20 6.805 17.971 -2.817 157 HA ARG 20 HA ARG 20 9.310 16.843 -3.652 158 HB2 ARG 20 2HB ARG 20 9.217 19.165 -3.944 159 HB3 ARG 20 1HB ARG 20 8.469 19.436 -2.377 160 HG2 ARG 20 2HG ARG 20 11.247 18.305 -2.616 161 HG3 ARG 20 1HG ARG 20 10.937 20.040 -2.607 162 HD2 ARG 20 2HD ARG 20 9.431 19.045 -0.467 163 HD3 ARG 20 1HD ARG 20 10.960 18.177 -0.382 164 HE ARG 20 HE ARG 20 11.911 20.610 -0.632 165 HH11 ARG 20 1HH2 ARG 20 9.105 19.564 1.108 166 HH12 ARG 20 2HH2 ARG 20 9.196 20.831 2.285 167 HH21 ARG 20 1HH1 ARG 20 12.037 22.268 0.910 168 HH22 ARG 20 2HH1 ARG 20 10.855 22.360 2.174 169 H SER 21 H SER 21 7.619 17.416 -0.653 170 HA SER 21 HA SER 21 9.657 16.779 1.217 171 HB2 SER 21 2HB SER 21 6.714 16.292 1.552 172 HB3 SER 21 1HB SER 21 7.899 16.758 2.777 173 HG SER 21 HG SER 21 7.327 18.354 0.521 174 H LEU 22 H LEU 22 7.031 14.768 -0.123 175 HA LEU 22 HA LEU 22 7.921 12.351 1.025 176 HB2 LEU 22 2HB LEU 22 5.929 13.167 -0.893 177 HB3 LEU 22 1HB LEU 22 6.791 11.746 -1.487 178 HG LEU 22 HG LEU 22 6.410 10.631 0.698 179 HD11 LEU 22 1HD1 LEU 22 5.379 11.647 2.438 180 HD12 LEU 22 2HD1 LEU 22 4.298 12.579 1.408 181 HD13 LEU 22 3HD1 LEU 22 5.956 13.123 1.667 182 HD21 LEU 22 3HD2 LEU 22 4.002 10.263 0.376 183 HD22 LEU 22 1HD2 LEU 22 4.858 10.271 -1.167 184 HD23 LEU 22 2HD2 LEU 22 3.928 11.688 -0.656 185 H SER 23 H SER 23 8.547 13.881 -2.114 186 HA SER 23 HA SER 23 10.165 11.875 -3.157 187 HB2 SER 23 2HB SER 23 9.597 13.226 -4.820 188 HB3 SER 23 1HB SER 23 9.649 14.680 -3.812 189 HG SER 23 HG SER 23 12.076 13.420 -4.148 190 H LEU 24 H LEU 24 10.892 14.379 -0.878 191 HA LEU 24 HA LEU 24 13.701 14.303 -1.073 192 HB2 LEU 24 2HB LEU 24 11.732 15.353 0.758 193 HB3 LEU 24 1HB LEU 24 13.070 14.615 1.637 194 HG LEU 24 HG LEU 24 13.417 17.040 1.055 195 HD11 LEU 24 1HD1 LEU 24 15.191 14.903 1.019 196 HD12 LEU 24 2HD1 LEU 24 15.633 16.608 1.098 197 HD13 LEU 24 3HD1 LEU 24 15.570 15.785 -0.461 198 HD21 LEU 24 3HD2 LEU 24 14.264 16.553 -1.664 199 HD22 LEU 24 1HD2 LEU 24 13.136 17.766 -1.059 200 HD23 LEU 24 2HD2 LEU 24 12.558 16.155 -1.478 201 H ILE 25 H ILE 25 11.311 12.182 0.364 202 HA ILE 25 HA ILE 25 13.503 10.336 1.114 203 HB ILE 25 HB ILE 25 12.150 11.392 3.045 204 HG12 ILE 25 2HG1 ILE 25 11.859 8.629 3.635 205 HG13 ILE 25 1HG1 ILE 25 13.211 8.758 2.550 206 HG21 ILE 25 1HG2 ILE 25 10.283 9.159 2.697 207 HG22 ILE 25 2HG2 ILE 25 10.012 10.493 1.561 208 HG23 ILE 25 3HG2 ILE 25 9.960 10.783 3.306 209 HD11 ILE 25 3HD1 ILE 25 14.211 9.073 4.659 210 HD12 ILE 25 1HD1 ILE 25 12.836 10.008 5.260 211 HD13 ILE 25 2HD1 ILE 25 13.961 10.728 4.102 212 H ILE 26 H ILE 26 11.737 10.501 -1.390 213 HA ILE 26 HA ILE 26 9.946 8.341 -1.327 214 HB ILE 26 HB ILE 26 11.175 10.100 -3.352 215 HG12 ILE 26 2HG1 ILE 26 8.893 10.398 -2.247 216 HG13 ILE 26 1HG1 ILE 26 8.901 10.429 -4.013 217 HG21 ILE 26 1HG2 ILE 26 10.208 7.370 -3.928 218 HG22 ILE 26 2HG2 ILE 26 11.675 8.134 -4.510 219 HG23 ILE 26 3HG2 ILE 26 10.101 8.627 -5.147 220 HD11 ILE 26 3HD1 ILE 26 7.348 8.785 -2.422 221 HD12 ILE 26 1HD1 ILE 26 8.645 7.746 -3.008 222 HD13 ILE 26 2HD1 ILE 26 7.634 8.625 -4.156 223 H LYS 27 H LYS 27 10.192 6.219 -1.702 224 HA LYS 27 HA LYS 27 12.891 5.261 -2.472 225 HB2 LYS 27 2HB LYS 27 11.015 4.264 -0.352 226 HB3 LYS 27 1HB LYS 27 12.116 3.142 -1.148 227 HG2 LYS 27 2HG LYS 27 13.219 5.735 -0.145 228 HG3 LYS 27 1HG LYS 27 12.868 4.465 1.029 229 HD2 LYS 27 2HD LYS 27 14.568 3.139 0.296 230 HD3 LYS 27 1HD LYS 27 14.290 3.553 -1.396 231 HE2 LYS 27 2HE LYS 27 16.478 4.405 -0.546 232 HE3 LYS 27 1HE LYS 27 15.413 5.696 -1.102 233 HZ1 LYS 27 3HZ LYS 27 15.023 5.036 1.659 234 HZ2 LYS 27 1HZ LYS 27 15.279 6.548 0.934 235 HZ3 LYS 27 2HZ LYS 27 16.605 5.563 1.334 236 H THR 28 H THR 28 12.966 3.659 -4.046 237 HA THR 28 HA THR 28 10.350 2.936 -5.231 238 HB THR 28 HB THR 28 11.318 3.059 -7.403 239 HG1 THR 28 1HG THR 28 13.793 3.530 -6.100 240 HG21 THR 28 3HG2 THR 28 12.304 5.408 -7.381 241 HG22 THR 28 1HG2 THR 28 12.176 5.349 -5.623 242 HG23 THR 28 2HG2 THR 28 10.723 5.238 -6.617 243 H SER 29 H SER 29 9.880 0.863 -5.074 244 HA SER 29 HA SER 29 12.080 -1.113 -4.976 245 HB2 SER 29 2HB SER 29 10.222 -2.583 -3.950 246 HB3 SER 29 1HB SER 29 10.892 -1.305 -2.935 247 HG SER 29 HG SER 29 8.727 -0.698 -4.601 248 H PHE 30 H PHE 30 12.020 -2.855 -6.389 249 HA PHE 30 HA PHE 30 9.767 -2.925 -8.304 250 HB2 PHE 30 2HB PHE 30 11.810 -3.655 -9.901 251 HB3 PHE 30 1HB PHE 30 11.250 -1.989 -9.751 252 HD1 PHE 30 2HD PHE 30 12.377 -0.465 -8.050 253 HD2 PHE 30 1HD PHE 30 13.982 -4.282 -9.190 254 HE1 PHE 30 2HE PHE 30 14.592 0.199 -7.155 255 HE2 PHE 30 1HE PHE 30 16.198 -3.618 -8.296 256 HZ PHE 30 HZ PHE 30 16.503 -1.377 -7.278 257 H CYS 31 H CYS 31 9.090 -4.912 -8.972 258 HA CYS 31 HA CYS 31 10.607 -7.248 -7.966 259 HB2 CYS 31 2HB CYS 31 7.600 -7.170 -8.212 260 HB3 CYS 31 1HB CYS 31 8.600 -8.375 -7.392 261 HG CYS 31 HG CYS 31 8.803 -5.504 -6.266 262 H ALA 32 H ALA 32 10.496 -9.144 -9.229 263 HA ALA 32 HA ALA 32 9.825 -8.642 -12.058 264 HB1 ALA 32 1HB ALA 32 11.994 -9.216 -12.313 265 HB2 ALA 32 2HB ALA 32 11.467 -10.866 -11.978 266 HB3 ALA 32 3HB ALA 32 12.096 -9.860 -10.674 267 HA PRO 33 HA PRO 33 6.987 -12.038 -12.201 268 HB2 PRO 33 2HB PRO 33 8.544 -13.503 -14.243 269 HB3 PRO 33 1HB PRO 33 6.922 -12.798 -14.358 270 HG2 PRO 33 2HG PRO 33 9.056 -11.754 -15.618 271 HG3 PRO 33 1HG PRO 33 7.706 -10.769 -15.033 272 HD2 PRO 33 2HD PRO 33 10.442 -11.090 -13.876 273 HD3 PRO 33 1HD PRO 33 9.377 -9.668 -13.887 274 H GLY 34 H GLY 34 6.804 -13.672 -10.742 275 HA2 GLY 34 2HA GLY 34 7.299 -15.572 -9.524 276 HA3 GLY 34 1HA GLY 34 8.607 -15.891 -10.660 277 H GLU 35 H GLU 35 8.927 -12.767 -9.578 278 HA GLU 35 HA GLU 35 11.247 -13.418 -8.003 279 HB2 GLU 35 2HB GLU 35 10.642 -11.314 -9.554 280 HB3 GLU 35 1HB GLU 35 10.228 -10.667 -7.971 281 HG2 GLU 35 2HG GLU 35 12.477 -10.146 -8.051 282 HG3 GLU 35 1HG GLU 35 12.521 -11.727 -7.281 283 H PHE 36 H PHE 36 11.399 -13.655 -5.872 284 HA PHE 36 HA PHE 36 9.018 -13.344 -4.232 285 HB2 PHE 36 2HB PHE 36 11.785 -14.372 -3.578 286 HB3 PHE 36 1HB PHE 36 10.416 -14.384 -2.466 287 HD1 PHE 36 2HD PHE 36 11.536 -15.598 -5.816 288 HD2 PHE 36 1HD PHE 36 8.807 -16.111 -2.539 289 HE1 PHE 36 2HE PHE 36 10.740 -17.726 -6.811 290 HE2 PHE 36 1HE PHE 36 8.011 -18.239 -3.534 291 HZ PHE 36 HZ PHE 36 8.978 -19.047 -5.670 292 H LEU 37 H LEU 37 8.549 -11.490 -3.232 293 HA LEU 37 HA LEU 37 10.680 -9.550 -2.746 294 HB2 LEU 37 2HB LEU 37 8.246 -9.110 -3.724 295 HB3 LEU 37 1HB LEU 37 7.872 -8.953 -2.006 296 HG LEU 37 HG LEU 37 9.770 -7.341 -1.789 297 HD11 LEU 37 1HD1 LEU 37 10.210 -6.405 -4.318 298 HD12 LEU 37 2HD1 LEU 37 10.077 -8.137 -4.619 299 HD13 LEU 37 3HD1 LEU 37 11.282 -7.530 -3.484 300 HD21 LEU 37 3HD2 LEU 37 7.961 -5.983 -1.974 301 HD22 LEU 37 1HD2 LEU 37 7.274 -6.942 -3.284 302 HD23 LEU 37 2HD2 LEU 37 8.495 -5.718 -3.634 303 H ILE 38 H ILE 38 8.269 -11.461 -0.849 304 HA ILE 38 HA ILE 38 9.950 -10.879 1.452 305 HB ILE 38 HB ILE 38 8.262 -10.268 2.897 306 HG12 ILE 38 2HG1 ILE 38 5.798 -10.354 1.971 307 HG13 ILE 38 1HG1 ILE 38 6.465 -11.660 1.002 308 HG21 ILE 38 1HG2 ILE 38 8.732 -8.495 1.305 309 HG22 ILE 38 2HG2 ILE 38 7.062 -8.433 1.876 310 HG23 ILE 38 3HG2 ILE 38 7.425 -9.071 0.270 311 HD11 ILE 38 3HD1 ILE 38 6.952 -11.540 3.949 312 HD12 ILE 38 1HD1 ILE 38 7.048 -12.907 2.856 313 HD13 ILE 38 2HD1 ILE 38 5.481 -12.234 3.295 314 H ARG 39 H ARG 39 9.735 -12.360 3.180 315 HA ARG 39 HA ARG 39 8.645 -14.972 2.340 316 HB2 ARG 39 2HB ARG 39 11.048 -15.011 1.990 317 HB3 ARG 39 1HB ARG 39 11.299 -14.420 3.617 318 HG2 ARG 39 2HG ARG 39 11.658 -16.802 3.640 319 HG3 ARG 39 1HG ARG 39 10.157 -16.451 4.493 320 HD2 ARG 39 2HD ARG 39 8.945 -17.626 2.999 321 HD3 ARG 39 1HD ARG 39 9.687 -16.759 1.656 322 HE ARG 39 HE ARG 39 11.643 -18.443 2.184 323 HH11 ARG 39 1HH2 ARG 39 8.225 -18.981 2.274 324 HH12 ARG 39 2HH2 ARG 39 8.337 -20.657 1.851 325 HH21 ARG 39 1HH1 ARG 39 11.797 -20.640 1.626 326 HH22 ARG 39 2HH1 ARG 39 10.360 -21.596 1.485 327 H GLN 40 H GLN 40 7.120 -15.504 3.682 328 HA GLN 40 HA GLN 40 5.915 -14.722 5.757 329 HB2 GLN 40 2HB GLN 40 5.570 -17.006 5.238 330 HB3 GLN 40 1HB GLN 40 7.219 -17.433 5.681 331 HG2 GLN 40 2HG GLN 40 5.633 -16.118 7.806 332 HG3 GLN 40 1HG GLN 40 5.106 -17.738 7.355 333 HE21 GLN 40 1HE2 GLN 40 6.940 -16.323 9.629 334 HE22 GLN 40 2HE2 GLN 40 8.160 -17.486 9.822 335 H GLY 41 H GLY 41 6.207 -13.731 7.634 336 HA2 GLY 41 2HA GLY 41 7.099 -13.459 9.798 337 HA3 GLY 41 1HA GLY 41 8.512 -14.379 9.309 338 H ASP 42 H ASP 42 7.838 -12.142 6.913 339 HA ASP 42 HA ASP 42 10.174 -10.618 7.485 340 HB2 ASP 42 2HB ASP 42 7.966 -10.406 5.481 341 HB3 ASP 42 1HB ASP 42 9.063 -9.046 5.700 342 H ALA 43 H ALA 43 9.943 -8.100 7.399 343 HA ALA 43 HA ALA 43 7.970 -7.339 9.467 344 HB1 ALA 43 1HB ALA 43 10.868 -6.799 9.167 345 HB2 ALA 43 2HB ALA 43 9.897 -6.969 10.629 346 HB3 ALA 43 3HB ALA 43 9.880 -5.452 9.728 347 H LEU 44 H LEU 44 6.879 -5.424 9.237 348 HA LEU 44 HA LEU 44 6.827 -4.292 6.543 349 HB2 LEU 44 2HB LEU 44 4.781 -4.986 8.033 350 HB3 LEU 44 1HB LEU 44 5.037 -3.407 8.776 351 HG LEU 44 HG LEU 44 5.213 -2.983 5.990 352 HD11 LEU 44 1HD1 LEU 44 4.081 -5.243 5.829 353 HD12 LEU 44 2HD1 LEU 44 3.178 -3.914 5.103 354 HD13 LEU 44 3HD1 LEU 44 2.709 -4.538 6.685 355 HD21 LEU 44 3HD2 LEU 44 2.958 -2.471 7.948 356 HD22 LEU 44 1HD2 LEU 44 3.150 -1.675 6.386 357 HD23 LEU 44 2HD2 LEU 44 4.340 -1.416 7.660 358 H GLN 45 H GLN 45 7.987 -2.524 6.080 359 HA GLN 45 HA GLN 45 8.549 -0.621 8.276 360 HB2 GLN 45 2HB GLN 45 10.546 -1.948 7.616 361 HB3 GLN 45 1HB GLN 45 10.389 -1.314 5.978 362 HG2 GLN 45 2HG GLN 45 12.015 0.029 7.196 363 HG3 GLN 45 1HG GLN 45 10.575 0.998 6.897 364 HE21 GLN 45 1HE2 GLN 45 11.436 2.270 8.848 365 HE22 GLN 45 2HE2 GLN 45 11.022 1.712 10.397 366 H ALA 46 H ALA 46 7.428 -1.084 5.040 367 HA ALA 46 HA ALA 46 6.797 1.762 4.870 368 HB1 ALA 46 1HB ALA 46 8.391 0.391 2.689 369 HB2 ALA 46 2HB ALA 46 9.064 1.526 3.859 370 HB3 ALA 46 3HB ALA 46 7.848 2.069 2.704 371 H ILE 47 H ILE 47 5.492 2.234 2.865 372 HA ILE 47 HA ILE 47 3.705 -0.057 2.284 373 HB ILE 47 HB ILE 47 2.639 1.840 3.475 374 HG12 ILE 47 2HG1 ILE 47 1.076 2.360 1.277 375 HG13 ILE 47 1HG1 ILE 47 1.878 0.866 0.793 376 HG21 ILE 47 1HG2 ILE 47 2.784 3.579 1.083 377 HG22 ILE 47 2HG2 ILE 47 4.289 3.419 1.988 378 HG23 ILE 47 3HG2 ILE 47 2.835 4.009 2.794 379 HD11 ILE 47 3HD1 ILE 47 -0.035 1.350 3.033 380 HD12 ILE 47 1HD1 ILE 47 1.241 0.161 3.292 381 HD13 ILE 47 2HD1 ILE 47 0.106 -0.041 1.958 382 H TYR 48 H TYR 48 3.268 -0.585 0.141 383 HA TYR 48 HA TYR 48 4.725 1.032 -1.857 384 HB2 TYR 48 2HB TYR 48 4.132 -1.828 -2.454 385 HB3 TYR 48 1HB TYR 48 5.468 -0.822 -2.986 386 HD1 TYR 48 1HD TYR 48 4.148 -1.931 0.379 387 HD2 TYR 48 2HD TYR 48 7.513 -1.566 -2.253 388 HE1 TYR 48 1HE TYR 48 5.605 -2.918 2.115 389 HE2 TYR 48 2HE TYR 48 8.975 -2.561 -0.519 390 HH TYR 48 HH TYR 48 9.110 -3.161 1.646 391 H PHE 49 H PHE 49 3.919 1.126 -3.964 392 HA PHE 49 HA PHE 49 1.053 0.494 -4.322 393 HB2 PHE 49 2HB PHE 49 2.084 3.089 -4.118 394 HB3 PHE 49 1HB PHE 49 1.955 2.800 -5.852 395 HD1 PHE 49 1HD PHE 49 -0.301 2.020 -6.831 396 HD2 PHE 49 2HD PHE 49 0.167 3.482 -2.798 397 HE1 PHE 49 1HE PHE 49 -2.732 2.452 -6.690 398 HE2 PHE 49 2HE PHE 49 -2.275 3.891 -2.671 399 HZ PHE 49 HZ PHE 49 -3.722 3.377 -4.615 400 H VAL 50 H VAL 50 0.616 -0.433 -6.275 401 HA VAL 50 HA VAL 50 2.890 -0.871 -8.055 402 HB VAL 50 HB VAL 50 0.693 -2.436 -7.069 403 HG11 VAL 50 1HG1 VAL 50 -0.261 -1.810 -9.224 404 HG12 VAL 50 2HG1 VAL 50 0.078 -3.533 -9.151 405 HG13 VAL 50 3HG1 VAL 50 1.143 -2.452 -10.057 406 HG21 VAL 50 3HG2 VAL 50 2.138 -4.277 -7.958 407 HG22 VAL 50 1HG2 VAL 50 3.013 -3.136 -6.938 408 HG23 VAL 50 2HG2 VAL 50 3.179 -3.055 -8.692 409 H CYS 51 H CYS 51 2.956 0.030 -10.035 410 HA CYS 51 HA CYS 51 0.629 1.655 -10.816 411 HB2 CYS 51 2HB CYS 51 2.620 2.963 -10.696 412 HB3 CYS 51 1HB CYS 51 3.547 1.760 -11.592 413 HG CYS 51 HG CYS 51 2.890 3.491 -13.375 414 H SER 52 H SER 52 2.590 -1.049 -11.785 415 HA SER 52 HA SER 52 0.684 -1.871 -13.755 416 HB2 SER 52 2HB SER 52 2.624 -0.064 -14.669 417 HB3 SER 52 1HB SER 52 3.180 -1.646 -15.204 418 HG SER 52 HG SER 52 0.490 -1.312 -15.494 419 H GLY 53 H GLY 53 0.917 -4.019 -14.257 420 HA2 GLY 53 2HA GLY 53 2.463 -5.935 -14.569 421 HA3 GLY 53 1HA GLY 53 3.272 -5.396 -13.102 422 H SER 54 H SER 54 2.850 -7.588 -12.275 423 HA SER 54 HA SER 54 0.302 -7.643 -10.856 424 HB2 SER 54 2HB SER 54 0.727 -10.264 -12.004 425 HB3 SER 54 1HB SER 54 -0.715 -9.253 -12.030 426 HG SER 54 HG SER 54 1.262 -9.596 -13.914 427 H MET 55 H MET 55 0.413 -8.700 -8.918 428 HA MET 55 HA MET 55 2.564 -10.574 -8.402 429 HB2 MET 55 2HB MET 55 3.366 -9.276 -6.399 430 HB3 MET 55 1HB MET 55 3.789 -8.567 -7.957 431 HG2 MET 55 2HG MET 55 2.605 -6.716 -7.538 432 HG3 MET 55 1HG MET 55 1.192 -7.642 -7.033 433 HE1 MET 55 3HE MET 55 1.384 -5.241 -4.336 434 HE2 MET 55 1HE MET 55 1.440 -5.247 -6.104 435 HE3 MET 55 2HE MET 55 2.847 -4.732 -5.176 436 H GLU 56 H GLU 56 2.440 -11.474 -6.178 437 HA GLU 56 HA GLU 56 0.025 -11.082 -4.673 438 HB2 GLU 56 2HB GLU 56 -0.747 -13.485 -5.089 439 HB3 GLU 56 1HB GLU 56 -1.047 -12.322 -6.379 440 HG2 GLU 56 2HG GLU 56 -0.093 -14.458 -7.244 441 HG3 GLU 56 1HG GLU 56 0.945 -13.076 -7.588 442 H VAL 57 H VAL 57 -0.041 -12.360 -2.740 443 HA VAL 57 HA VAL 57 2.616 -13.323 -1.935 444 HB VAL 57 HB VAL 57 1.807 -13.148 0.344 445 HG11 VAL 57 1HG1 VAL 57 1.972 -10.982 -1.482 446 HG12 VAL 57 2HG1 VAL 57 2.201 -10.933 0.266 447 HG13 VAL 57 3HG1 VAL 57 0.603 -10.643 -0.423 448 HG21 VAL 57 3HG2 VAL 57 -0.542 -12.328 0.722 449 HG22 VAL 57 1HG2 VAL 57 -0.445 -13.947 0.038 450 HG23 VAL 57 2HG2 VAL 57 -0.841 -12.586 -0.997 451 H LEU 58 H LEU 58 3.012 -15.463 -1.644 452 HA LEU 58 HA LEU 58 0.783 -17.338 -2.042 453 HB2 LEU 58 2HB LEU 58 3.069 -17.162 -3.424 454 HB3 LEU 58 1HB LEU 58 3.592 -18.267 -2.152 455 HG LEU 58 HG LEU 58 2.725 -19.613 -3.952 456 HD11 LEU 58 1HD1 LEU 58 0.394 -19.493 -2.053 457 HD12 LEU 58 2HD1 LEU 58 1.978 -20.012 -1.478 458 HD13 LEU 58 3HD1 LEU 58 1.171 -20.905 -2.767 459 HD21 LEU 58 3HD2 LEU 58 1.220 -17.451 -4.605 460 HD22 LEU 58 1HD2 LEU 58 -0.007 -18.459 -3.837 461 HD23 LEU 58 2HD2 LEU 58 0.899 -19.072 -5.222 462 H LYS 59 H LYS 59 0.104 -18.617 -0.491 463 HA LYS 59 HA LYS 59 1.844 -19.787 1.448 464 HB2 LYS 59 2HB LYS 59 0.674 -17.307 2.160 465 HB3 LYS 59 1HB LYS 59 -0.165 -18.549 3.074 466 HG2 LYS 59 2HG LYS 59 2.811 -18.031 3.011 467 HG3 LYS 59 1HG LYS 59 1.715 -17.870 4.384 468 HD2 LYS 59 2HD LYS 59 2.148 -19.987 4.948 469 HD3 LYS 59 1HD LYS 59 1.413 -20.515 3.444 470 HE2 LYS 59 2HE LYS 59 3.552 -21.419 3.232 471 HE3 LYS 59 1HE LYS 59 3.773 -19.869 2.420 472 HZ1 LYS 59 3HZ LYS 59 5.355 -20.682 4.354 473 HZ2 LYS 59 1HZ LYS 59 4.170 -19.935 5.311 474 HZ3 LYS 59 2HZ LYS 59 4.987 -19.040 4.121 475 H ASP 60 H ASP 60 0.942 -21.621 2.359 476 HA ASP 60 HA ASP 60 -0.482 -23.404 2.550 477 HB2 ASP 60 2HB ASP 60 -2.436 -21.114 2.468 478 HB3 ASP 60 1HB ASP 60 -2.972 -22.787 2.617 479 H ASN 61 H ASN 61 0.552 -22.949 0.003 480 HA ASN 61 HA ASN 61 0.315 -23.755 -2.128 481 HB2 ASN 61 2HB ASN 61 -1.272 -25.387 -0.586 482 HB3 ASN 61 1HB ASN 61 -2.392 -24.827 -1.828 483 HD21 ASN 61 1HD2 ASN 61 -0.292 -24.500 -3.897 484 HD22 ASN 61 2HD2 ASN 61 0.163 -26.070 -4.357 485 H THR 62 H THR 62 -1.971 -21.623 -0.753 486 HA THR 62 HA THR 62 -2.858 -20.851 -3.467 487 HB THR 62 HB THR 62 -4.410 -20.317 -0.951 488 HG1 THR 62 1HG THR 62 -5.046 -22.289 -2.849 489 HG21 THR 62 3HG2 THR 62 -5.158 -20.280 -3.890 490 HG22 THR 62 1HG2 THR 62 -4.874 -18.841 -2.901 491 HG23 THR 62 2HG2 THR 62 -6.242 -19.907 -2.552 492 H VAL 63 H VAL 63 -3.249 -18.611 -3.799 493 HA VAL 63 HA VAL 63 -1.206 -16.965 -2.700 494 HB VAL 63 HB VAL 63 -2.996 -15.286 -3.974 495 HG11 VAL 63 1HG1 VAL 63 -0.525 -15.508 -4.307 496 HG12 VAL 63 2HG1 VAL 63 -1.419 -15.424 -5.825 497 HG13 VAL 63 3HG1 VAL 63 -0.821 -16.974 -5.240 498 HG21 VAL 63 3HG2 VAL 63 -4.326 -17.388 -4.466 499 HG22 VAL 63 1HG2 VAL 63 -2.936 -17.960 -5.385 500 HG23 VAL 63 2HG2 VAL 63 -3.799 -16.511 -5.905 501 H LEU 64 H LEU 64 -1.292 -15.903 -0.788 502 HA LEU 64 HA LEU 64 -3.751 -15.823 0.702 503 HB2 LEU 64 2HB LEU 64 -0.995 -15.563 1.311 504 HB3 LEU 64 1HB LEU 64 -1.763 -14.048 1.787 505 HG LEU 64 HG LEU 64 -3.559 -15.503 2.910 506 HD11 LEU 64 1HD1 LEU 64 -3.366 -17.695 2.330 507 HD12 LEU 64 2HD1 LEU 64 -2.129 -17.739 3.585 508 HD13 LEU 64 3HD1 LEU 64 -1.664 -17.529 1.897 509 HD21 LEU 64 3HD2 LEU 64 -2.431 -15.227 4.879 510 HD22 LEU 64 1HD2 LEU 64 -1.240 -14.414 3.865 511 HD23 LEU 64 2HD2 LEU 64 -1.016 -16.106 4.305 512 H ALA 65 H ALA 65 -2.286 -13.883 -1.661 513 HA ALA 65 HA ALA 65 -4.429 -11.942 -1.435 514 HB1 ALA 65 1HB ALA 65 -3.237 -10.053 -0.910 515 HB2 ALA 65 2HB ALA 65 -1.731 -10.685 -1.567 516 HB3 ALA 65 3HB ALA 65 -2.303 -11.230 0.011 517 H ILE 66 H ILE 66 -5.023 -11.251 -3.397 518 HA ILE 66 HA ILE 66 -3.164 -11.743 -5.643 519 HB ILE 66 HB ILE 66 -6.151 -12.114 -5.458 520 HG12 ILE 66 2HG1 ILE 66 -5.302 -14.309 -6.633 521 HG13 ILE 66 1HG1 ILE 66 -3.739 -13.838 -5.964 522 HG21 ILE 66 1HG2 ILE 66 -4.437 -11.415 -7.771 523 HG22 ILE 66 2HG2 ILE 66 -6.174 -11.204 -7.553 524 HG23 ILE 66 3HG2 ILE 66 -5.529 -12.777 -8.022 525 HD11 ILE 66 3HD1 ILE 66 -4.625 -13.834 -3.720 526 HD12 ILE 66 1HD1 ILE 66 -5.088 -15.357 -4.469 527 HD13 ILE 66 2HD1 ILE 66 -6.268 -14.058 -4.313 528 H LEU 67 H LEU 67 -2.404 -9.695 -6.180 529 HA LEU 67 HA LEU 67 -4.469 -7.646 -6.642 530 HB2 LEU 67 2HB LEU 67 -2.338 -6.118 -5.926 531 HB3 LEU 67 1HB LEU 67 -3.668 -6.545 -4.852 532 HG LEU 67 HG LEU 67 -2.332 -8.623 -4.232 533 HD11 LEU 67 1HD1 LEU 67 -0.880 -8.017 -6.409 534 HD12 LEU 67 2HD1 LEU 67 -0.215 -8.938 -5.056 535 HD13 LEU 67 3HD1 LEU 67 0.099 -7.208 -5.188 536 HD21 LEU 67 3HD2 LEU 67 -2.413 -6.663 -2.751 537 HD22 LEU 67 1HD2 LEU 67 -1.121 -5.894 -3.674 538 HD23 LEU 67 2HD2 LEU 67 -0.790 -7.354 -2.743 539 H GLY 68 H GLY 68 -3.787 -5.870 -8.065 540 HA2 GLY 68 2HA GLY 68 -1.606 -6.583 -9.908 541 HA3 GLY 68 1HA GLY 68 -3.222 -6.339 -10.558 542 H LYS 69 H LYS 69 -2.469 -4.613 -11.831 543 HA LYS 69 HA LYS 69 -1.012 -2.412 -11.169 544 HB2 LYS 69 2HB LYS 69 -3.472 -2.324 -12.901 545 HB3 LYS 69 1HB LYS 69 -2.014 -1.353 -13.032 546 HG2 LYS 69 2HG LYS 69 -0.744 -3.540 -13.384 547 HG3 LYS 69 1HG LYS 69 -2.322 -4.299 -13.594 548 HD2 LYS 69 2HD LYS 69 -2.829 -2.924 -15.492 549 HD3 LYS 69 1HD LYS 69 -1.439 -1.882 -15.186 550 HE2 LYS 69 2HE LYS 69 -1.152 -3.624 -17.041 551 HE3 LYS 69 1HE LYS 69 0.105 -3.590 -15.805 552 HZ1 LYS 69 3HZ LYS 69 -1.371 -5.763 -16.546 553 HZ2 LYS 69 1HZ LYS 69 -2.076 -5.283 -15.081 554 HZ3 LYS 69 2HZ LYS 69 -0.415 -5.631 -15.148 555 H GLY 70 H GLY 70 -1.225 -0.712 -9.890 556 HA2 GLY 70 2HA GLY 70 -2.228 1.091 -8.833 557 HA3 GLY 70 1HA GLY 70 -3.797 0.473 -9.301 558 H ASP 71 H ASP 71 -2.498 -2.173 -8.054 559 HA ASP 71 HA ASP 71 -3.995 -2.093 -5.676 560 HB2 ASP 71 2HB ASP 71 -3.060 -4.210 -5.172 561 HB3 ASP 71 1HB ASP 71 -3.191 -4.147 -6.930 562 H LEU 72 H LEU 72 -2.960 -2.612 -3.496 563 HA LEU 72 HA LEU 72 -0.517 -1.047 -3.019 564 HB2 LEU 72 2HB LEU 72 -2.432 0.465 -2.617 565 HB3 LEU 72 1HB LEU 72 -3.095 -0.696 -1.467 566 HG LEU 72 HG LEU 72 -0.677 -0.492 -0.384 567 HD11 LEU 72 1HD1 LEU 72 0.485 1.462 -0.810 568 HD12 LEU 72 2HD1 LEU 72 -0.962 2.332 -1.323 569 HD13 LEU 72 3HD1 LEU 72 -0.202 1.167 -2.408 570 HD21 LEU 72 3HD2 LEU 72 -2.919 0.120 0.610 571 HD22 LEU 72 1HD2 LEU 72 -2.711 1.733 -0.071 572 HD23 LEU 72 2HD2 LEU 72 -1.586 1.140 1.151 573 H ILE 73 H ILE 73 0.761 -1.870 -1.445 574 HA ILE 73 HA ILE 73 -0.206 -4.281 -0.075 575 HB ILE 73 HB ILE 73 1.553 -4.933 -1.499 576 HG12 ILE 73 2HG1 ILE 73 3.428 -5.474 -0.011 577 HG13 ILE 73 1HG1 ILE 73 2.866 -4.277 1.153 578 HG21 ILE 73 1HG2 ILE 73 2.422 -2.257 -0.888 579 HG22 ILE 73 2HG2 ILE 73 2.523 -3.182 -2.387 580 HG23 ILE 73 3HG2 ILE 73 3.715 -3.440 -1.108 581 HD11 ILE 73 3HD1 ILE 73 1.356 -6.760 0.284 582 HD12 ILE 73 1HD1 ILE 73 0.753 -5.549 1.414 583 HD13 ILE 73 2HD1 ILE 73 2.157 -6.526 1.838 584 H GLY 74 H GLY 74 -0.310 -4.270 2.070 585 HA2 GLY 74 2HA GLY 74 1.145 -3.630 4.096 586 HA3 GLY 74 1HA GLY 74 0.864 -1.988 3.523 587 H SER 75 H SER 75 0.029 -3.241 6.067 588 HA SER 75 HA SER 75 -2.811 -3.688 5.909 589 HB2 SER 75 2HB SER 75 -2.041 -3.007 8.565 590 HB3 SER 75 1HB SER 75 -2.426 -4.601 7.920 591 HG SER 75 HG SER 75 -0.198 -4.592 7.121 592 H ASP 76 H ASP 76 -4.458 -2.321 6.318 593 HA ASP 76 HA ASP 76 -4.048 0.480 6.014 594 HB2 ASP 76 2HB ASP 76 -6.359 0.642 5.955 595 HB3 ASP 76 1HB ASP 76 -6.142 -1.047 5.498 596 H SER 77 H SER 77 -5.676 1.738 7.781 597 HA SER 77 HA SER 77 -5.745 2.663 9.884 598 HB2 SER 77 2HB SER 77 -6.351 0.244 10.450 599 HB3 SER 77 1HB SER 77 -4.666 0.037 10.914 600 HG SER 77 HG SER 77 -5.132 1.014 12.705 601 H LEU 78 H LEU 78 -3.497 3.138 8.302 602 HA LEU 78 HA LEU 78 -0.994 2.674 9.351 603 HB2 LEU 78 2HB LEU 78 -2.218 4.756 7.674 604 HB3 LEU 78 1HB LEU 78 -0.774 5.278 8.542 605 HG LEU 78 HG LEU 78 0.380 3.196 7.703 606 HD11 LEU 78 1HD1 LEU 78 -2.314 2.710 6.739 607 HD12 LEU 78 2HD1 LEU 78 -0.941 1.607 6.804 608 HD13 LEU 78 3HD1 LEU 78 -1.155 2.666 5.411 609 HD21 LEU 78 3HD2 LEU 78 0.802 5.311 6.607 610 HD22 LEU 78 1HD2 LEU 78 -0.703 5.202 5.696 611 HD23 LEU 78 2HD2 LEU 78 0.622 4.085 5.358 612 H THR 79 H THR 79 -3.556 4.193 10.898 613 HA THR 79 HA THR 79 -1.971 5.997 12.531 614 HB THR 79 HB THR 79 -4.629 5.378 13.546 615 HG1 THR 79 1HG THR 79 -4.645 4.983 11.131 616 HG21 THR 79 3HG2 THR 79 -4.869 7.810 13.338 617 HG22 THR 79 1HG2 THR 79 -3.404 7.883 12.359 618 HG23 THR 79 2HG2 THR 79 -3.308 7.412 14.056 619 H LYS 80 H LYS 80 -2.327 2.733 12.439 620 HA LYS 80 HA LYS 80 -2.551 2.214 15.283 621 HB2 LYS 80 2HB LYS 80 -2.663 -0.026 14.714 622 HB3 LYS 80 1HB LYS 80 -3.259 0.710 13.226 623 HG2 LYS 80 2HG LYS 80 -0.839 0.702 12.410 624 HG3 LYS 80 1HG LYS 80 -0.478 -0.338 13.789 625 HD2 LYS 80 2HD LYS 80 -2.364 -0.906 11.490 626 HD3 LYS 80 1HD LYS 80 -0.913 -1.801 11.942 627 HE2 LYS 80 2HE LYS 80 -2.605 -3.136 12.850 628 HE3 LYS 80 1HE LYS 80 -2.153 -2.134 14.228 629 HZ1 LYS 80 3HZ LYS 80 -4.211 -1.370 14.301 630 HZ2 LYS 80 1HZ LYS 80 -4.643 -2.324 12.966 631 HZ3 LYS 80 2HZ LYS 80 -4.058 -0.747 12.728 632 H GLU 81 H GLU 81 -0.076 2.990 13.067 633 HA GLU 81 HA GLU 81 2.248 2.494 13.126 634 HB2 GLU 81 2HB GLU 81 1.766 4.777 13.994 635 HB3 GLU 81 1HB GLU 81 1.726 4.115 15.628 636 HG2 GLU 81 2HG GLU 81 4.081 3.133 14.967 637 HG3 GLU 81 1HG GLU 81 4.059 4.427 13.769 638 H GLN 82 H GLN 82 2.489 0.277 13.504 639 HA GLN 82 HA GLN 82 3.591 -0.369 16.102 640 HB2 GLN 82 2HB GLN 82 0.892 -0.962 15.633 641 HB3 GLN 82 1HB GLN 82 1.753 -2.481 15.426 642 HG2 GLN 82 2HG GLN 82 1.811 -0.671 17.838 643 HG3 GLN 82 1HG GLN 82 1.195 -2.319 17.734 644 HE21 GLN 82 1HE2 GLN 82 2.756 -4.080 17.678 645 HE22 GLN 82 2HE2 GLN 82 4.390 -3.824 18.054 646 H VAL 83 H VAL 83 4.325 -2.746 16.091 647 HA VAL 83 HA VAL 83 5.906 -3.123 13.709 648 HB VAL 83 HB VAL 83 7.056 -4.786 14.935 649 HG11 VAL 83 1HG1 VAL 83 5.974 -2.686 16.838 650 HG12 VAL 83 2HG1 VAL 83 7.443 -2.578 15.865 651 HG13 VAL 83 3HG1 VAL 83 7.351 -3.729 17.199 652 HG21 VAL 83 3HG2 VAL 83 5.948 -5.512 17.210 653 HG22 VAL 83 1HG2 VAL 83 5.430 -6.281 15.709 654 HG23 VAL 83 2HG2 VAL 83 4.453 -4.998 16.428 655 H ILE 84 H ILE 84 5.033 -3.998 11.945 656 HA ILE 84 HA ILE 84 3.150 -6.260 12.265 657 HB ILE 84 HB ILE 84 3.333 -4.815 9.675 658 HG12 ILE 84 2HG1 ILE 84 3.364 -3.002 11.411 659 HG13 ILE 84 1HG1 ILE 84 1.900 -2.999 10.430 660 HG21 ILE 84 1HG2 ILE 84 1.781 -6.639 9.857 661 HG22 ILE 84 2HG2 ILE 84 0.827 -5.155 9.875 662 HG23 ILE 84 3HG2 ILE 84 1.140 -6.020 11.379 663 HD11 ILE 84 3HD1 ILE 84 1.828 -2.890 13.119 664 HD12 ILE 84 1HD1 ILE 84 1.838 -4.641 12.913 665 HD13 ILE 84 2HD1 ILE 84 0.564 -3.675 12.171 666 H LYS 85 H LYS 85 3.513 -8.133 11.140 667 HA LYS 85 HA LYS 85 5.951 -8.236 9.482 668 HB2 LYS 85 2HB LYS 85 5.971 -10.687 10.652 669 HB3 LYS 85 1HB LYS 85 6.902 -9.312 11.231 670 HG2 LYS 85 2HG LYS 85 5.310 -8.774 12.894 671 HG3 LYS 85 1HG LYS 85 4.079 -9.787 12.148 672 HD2 LYS 85 2HD LYS 85 6.578 -11.176 12.932 673 HD3 LYS 85 1HD LYS 85 5.574 -10.590 14.258 674 HE2 LYS 85 2HE LYS 85 5.126 -12.973 13.296 675 HE3 LYS 85 1HE LYS 85 3.766 -11.914 13.661 676 HZ1 LYS 85 3HZ LYS 85 4.062 -11.165 11.228 677 HZ2 LYS 85 1HZ LYS 85 3.291 -12.642 11.541 678 HZ3 LYS 85 2HZ LYS 85 4.914 -12.622 11.045 679 H THR 86 H THR 86 5.700 -9.268 7.612 680 HA THR 86 HA THR 86 3.106 -10.297 6.898 681 HB THR 86 HB THR 86 5.658 -10.399 5.259 682 HG1 THR 86 1HG THR 86 4.766 -8.441 4.388 683 HG21 THR 86 3HG2 THR 86 2.736 -10.349 4.461 684 HG22 THR 86 1HG2 THR 86 3.722 -11.808 4.522 685 HG23 THR 86 2HG2 THR 86 4.118 -10.520 3.381 686 H ASN 87 H ASN 87 2.427 -12.261 7.347 687 HA ASN 87 HA ASN 87 4.252 -14.338 8.182 688 HB2 ASN 87 2HB ASN 87 1.803 -13.724 9.001 689 HB3 ASN 87 1HB ASN 87 1.357 -14.877 7.743 690 HD21 ASN 87 1HD2 ASN 87 4.235 -14.917 9.901 691 HD22 ASN 87 2HD2 ASN 87 3.872 -16.422 10.598 692 H ALA 88 H ALA 88 2.591 -13.539 5.230 693 HA ALA 88 HA ALA 88 2.970 -16.220 4.157 694 HB1 ALA 88 1HB ALA 88 0.945 -15.491 3.337 695 HB2 ALA 88 2HB ALA 88 2.001 -14.892 2.052 696 HB3 ALA 88 3HB ALA 88 1.450 -13.799 3.324 697 H ASN 89 H ASN 89 3.537 -15.781 1.551 698 HA ASN 89 HA ASN 89 6.212 -14.503 1.631 699 HB2 ASN 89 2HB ASN 89 5.265 -16.855 -0.034 700 HB3 ASN 89 1HB ASN 89 6.875 -16.144 -0.091 701 HD21 ASN 89 1HD2 ASN 89 6.478 -18.894 0.632 702 HD22 ASN 89 2HD2 ASN 89 6.901 -19.077 2.266 703 H VAL 90 H VAL 90 6.659 -12.989 -0.044 704 HA VAL 90 HA VAL 90 4.390 -12.394 -1.769 705 HB VAL 90 HB VAL 90 6.728 -10.819 -0.821 706 HG11 VAL 90 1HG1 VAL 90 6.620 -10.386 -3.093 707 HG12 VAL 90 2HG1 VAL 90 5.771 -9.032 -2.346 708 HG13 VAL 90 3HG1 VAL 90 4.866 -10.337 -3.120 709 HG21 VAL 90 3HG2 VAL 90 4.445 -11.036 0.432 710 HG22 VAL 90 1HG2 VAL 90 3.837 -9.998 -0.857 711 HG23 VAL 90 2HG2 VAL 90 5.132 -9.427 0.198 712 H LYS 91 H LYS 91 4.478 -12.755 -3.873 713 HA LYS 91 HA LYS 91 7.093 -13.002 -5.175 714 HB2 LYS 91 2HB LYS 91 6.418 -15.294 -4.583 715 HB3 LYS 91 1HB LYS 91 4.887 -15.058 -5.428 716 HG2 LYS 91 2HG LYS 91 6.179 -14.579 -7.522 717 HG3 LYS 91 1HG LYS 91 7.658 -14.994 -6.655 718 HD2 LYS 91 2HD LYS 91 7.120 -17.034 -7.652 719 HD3 LYS 91 1HD LYS 91 6.359 -17.203 -6.069 720 HE2 LYS 91 2HE LYS 91 4.373 -15.957 -7.473 721 HE3 LYS 91 1HE LYS 91 5.116 -16.936 -8.736 722 HZ1 LYS 91 3HZ LYS 91 4.910 -18.870 -7.281 723 HZ2 LYS 91 1HZ LYS 91 3.397 -18.176 -7.610 724 HZ3 LYS 91 2HZ LYS 91 4.142 -17.914 -6.106 725 H ALA 92 H ALA 92 7.096 -11.645 -6.828 726 HA ALA 92 HA ALA 92 4.699 -10.519 -7.917 727 HB1 ALA 92 1HB ALA 92 7.619 -10.213 -8.326 728 HB2 ALA 92 2HB ALA 92 6.361 -8.982 -8.206 729 HB3 ALA 92 3HB ALA 92 6.607 -9.847 -9.723 730 H LEU 93 H LEU 93 3.430 -11.451 -9.380 731 HA LEU 93 HA LEU 93 4.114 -13.899 -10.676 732 HB2 LEU 93 2HB LEU 93 1.758 -12.255 -10.292 733 HB3 LEU 93 1HB LEU 93 1.864 -12.829 -11.956 734 HG LEU 93 HG LEU 93 2.000 -15.121 -11.244 735 HD11 LEU 93 1HD1 LEU 93 2.870 -13.876 -8.755 736 HD12 LEU 93 2HD1 LEU 93 3.129 -15.523 -9.329 737 HD13 LEU 93 3HD1 LEU 93 1.643 -15.110 -8.473 738 HD21 LEU 93 3HD2 LEU 93 -0.108 -13.409 -9.968 739 HD22 LEU 93 1HD2 LEU 93 -0.078 -15.134 -9.598 740 HD23 LEU 93 2HD2 LEU 93 -0.266 -14.594 -11.266 741 H THR 94 H THR 94 3.561 -10.579 -11.796 742 HA THR 94 HA THR 94 5.134 -11.199 -14.218 743 HB THR 94 HB THR 94 2.884 -9.198 -14.229 744 HG1 THR 94 1HG THR 94 2.130 -11.444 -15.385 745 HG21 THR 94 3HG2 THR 94 3.276 -10.712 -16.637 746 HG22 THR 94 1HG2 THR 94 4.835 -10.106 -16.082 747 HG23 THR 94 2HG2 THR 94 3.508 -8.984 -16.375 748 H TYR 95 H TYR 95 6.493 -9.522 -14.949 749 HA TYR 95 HA TYR 95 7.784 -7.986 -13.079 750 HB2 TYR 95 2HB TYR 95 7.899 -6.441 -15.417 751 HB3 TYR 95 1HB TYR 95 9.055 -7.666 -14.894 752 HD1 TYR 95 2HD TYR 95 5.647 -7.491 -16.477 753 HD2 TYR 95 1HD TYR 95 9.494 -9.399 -16.376 754 HE1 TYR 95 2HE TYR 95 4.988 -8.922 -18.394 755 HE2 TYR 95 1HE TYR 95 8.835 -10.830 -18.292 756 HH TYR 95 HH TYR 95 5.836 -10.295 -20.038 757 H CYS 96 H CYS 96 7.196 -6.343 -11.843 758 HA CYS 96 HA CYS 96 5.281 -4.379 -12.897 759 HB2 CYS 96 2HB CYS 96 3.793 -4.563 -11.135 760 HB3 CYS 96 1HB CYS 96 4.273 -6.244 -11.343 761 HG CYS 96 HG CYS 96 5.758 -4.483 -9.237 762 H ASP 97 H ASP 97 5.518 -2.337 -12.149 763 HA ASP 97 HA ASP 97 7.985 -1.783 -10.643 764 HB2 ASP 97 2HB ASP 97 7.822 -0.578 -12.735 765 HB3 ASP 97 1HB ASP 97 6.198 -0.019 -12.337 766 H LEU 98 H LEU 98 7.873 -1.122 -8.565 767 HA LEU 98 HA LEU 98 5.260 -0.137 -7.600 768 HB2 LEU 98 2HB LEU 98 7.042 -1.706 -5.786 769 HB3 LEU 98 1HB LEU 98 5.294 -1.512 -5.751 770 HG LEU 98 HG LEU 98 5.346 -2.791 -8.034 771 HD11 LEU 98 1HD1 LEU 98 7.593 -3.014 -8.601 772 HD12 LEU 98 2HD1 LEU 98 7.314 -4.542 -7.769 773 HD13 LEU 98 3HD1 LEU 98 8.103 -3.212 -6.924 774 HD21 LEU 98 3HD2 LEU 98 4.801 -4.737 -6.888 775 HD22 LEU 98 1HD2 LEU 98 4.672 -3.567 -5.576 776 HD23 LEU 98 2HD2 LEU 98 6.124 -4.554 -5.737 777 H GLN 99 H GLN 99 5.256 1.548 -6.252 778 HA GLN 99 HA GLN 99 7.863 2.754 -5.557 779 HB2 GLN 99 2HB GLN 99 6.206 4.790 -5.151 780 HB3 GLN 99 1HB GLN 99 6.798 4.420 -6.771 781 HG2 GLN 99 2HG GLN 99 4.772 3.604 -7.477 782 HG3 GLN 99 1HG GLN 99 4.342 2.993 -5.881 783 HE21 GLN 99 1HE2 GLN 99 4.248 5.070 -4.208 784 HE22 GLN 99 2HE2 GLN 99 3.265 6.329 -4.780 785 H TYR 100 H TYR 100 8.239 3.277 -3.381 786 HA TYR 100 HA TYR 100 6.109 3.007 -1.452 787 HB2 TYR 100 2HB TYR 100 6.973 1.161 -0.220 788 HB3 TYR 100 1HB TYR 100 6.863 0.623 -1.890 789 HD1 TYR 100 2HD TYR 100 9.389 2.158 -2.898 790 HD2 TYR 100 1HD TYR 100 8.655 -0.318 0.531 791 HE1 TYR 100 2HE TYR 100 11.782 1.555 -2.817 792 HE2 TYR 100 1HE TYR 100 11.047 -0.941 0.577 793 HH TYR 100 HH TYR 100 12.971 -1.025 -1.206 794 H ILE 101 H ILE 101 6.770 3.547 0.701 795 HA ILE 101 HA ILE 101 9.402 4.686 1.042 796 HB ILE 101 HB ILE 101 8.536 6.569 0.019 797 HG12 ILE 101 2HG1 ILE 101 7.819 6.893 2.952 798 HG13 ILE 101 1HG1 ILE 101 9.421 7.153 2.248 799 HG21 ILE 101 1HG2 ILE 101 6.000 5.908 1.483 800 HG22 ILE 101 2HG2 ILE 101 6.272 5.778 -0.251 801 HG23 ILE 101 3HG2 ILE 101 6.210 7.365 0.520 802 HD11 ILE 101 3HD1 ILE 101 8.104 9.272 2.506 803 HD12 ILE 101 1HD1 ILE 101 6.918 8.607 1.380 804 HD13 ILE 101 2HD1 ILE 101 8.566 8.928 0.835 805 H SER 102 H SER 102 9.996 4.946 3.160 806 HA SER 102 HA SER 102 8.718 3.319 5.061 807 HB2 SER 102 2HB SER 102 10.257 4.528 6.689 808 HB3 SER 102 1HB SER 102 11.037 3.712 5.339 809 HG SER 102 HG SER 102 11.894 5.640 5.102 810 H LEU 103 H LEU 103 7.319 3.699 6.683 811 HA LEU 103 HA LEU 103 5.425 5.721 6.511 812 HB2 LEU 103 2HB LEU 103 5.668 3.465 7.984 813 HB3 LEU 103 1HB LEU 103 5.975 4.681 9.227 814 HG LEU 103 HG LEU 103 3.579 4.212 9.123 815 HD11 LEU 103 1HD1 LEU 103 4.508 6.598 9.414 816 HD12 LEU 103 2HD1 LEU 103 2.807 6.452 8.974 817 HD13 LEU 103 3HD1 LEU 103 4.003 6.867 7.747 818 HD21 LEU 103 3HD2 LEU 103 2.440 3.942 7.177 819 HD22 LEU 103 1HD2 LEU 103 4.031 3.829 6.426 820 HD23 LEU 103 2HD2 LEU 103 3.175 5.371 6.450 821 H LYS 104 H LYS 104 8.479 5.643 8.268 822 HA LYS 104 HA LYS 104 8.039 8.007 9.796 823 HB2 LYS 104 2HB LYS 104 10.767 7.084 8.931 824 HB3 LYS 104 1HB LYS 104 10.275 7.815 10.460 825 HG2 LYS 104 2HG LYS 104 8.969 5.774 10.999 826 HG3 LYS 104 1HG LYS 104 9.522 5.040 9.493 827 HD2 LYS 104 2HD LYS 104 10.999 4.218 11.177 828 HD3 LYS 104 1HD LYS 104 11.904 5.469 10.324 829 HE2 LYS 104 2HE LYS 104 11.805 6.946 12.096 830 HE3 LYS 104 1HE LYS 104 10.272 6.302 12.685 831 HZ1 LYS 104 3HZ LYS 104 11.548 4.244 13.282 832 HZ2 LYS 104 1HZ LYS 104 11.914 5.619 14.205 833 HZ3 LYS 104 2HZ LYS 104 12.972 5.118 12.973 834 H GLY 105 H GLY 105 9.794 7.381 6.765 835 HA2 GLY 105 2HA GLY 105 10.644 10.007 6.238 836 HA3 GLY 105 1HA GLY 105 10.379 8.758 5.030 837 H LEU 106 H LEU 106 7.721 8.267 5.245 838 HA LEU 106 HA LEU 106 6.621 10.380 3.712 839 HB2 LEU 106 2HB LEU 106 5.913 8.139 3.282 840 HB3 LEU 106 1HB LEU 106 5.380 7.926 4.948 841 HG LEU 106 HG LEU 106 4.173 10.264 3.660 842 HD11 LEU 106 1HD1 LEU 106 4.436 8.593 1.735 843 HD12 LEU 106 2HD1 LEU 106 2.793 9.130 2.077 844 HD13 LEU 106 3HD1 LEU 106 3.335 7.546 2.631 845 HD21 LEU 106 3HD2 LEU 106 3.498 9.188 5.830 846 HD22 LEU 106 1HD2 LEU 106 2.957 7.784 4.910 847 HD23 LEU 106 2HD2 LEU 106 2.169 9.345 4.681 848 H ARG 107 H ARG 107 6.073 9.319 7.059 849 HA ARG 107 HA ARG 107 3.991 11.193 7.490 850 HB2 ARG 107 2HB ARG 107 4.024 9.254 8.883 851 HB3 ARG 107 1HB ARG 107 5.653 9.609 9.429 852 HG2 ARG 107 2HG ARG 107 4.015 10.267 11.139 853 HG3 ARG 107 1HG ARG 107 4.852 11.684 10.505 854 HD2 ARG 107 2HD ARG 107 2.919 12.563 9.766 855 HD3 ARG 107 1HD ARG 107 2.550 11.088 8.879 856 HE ARG 107 HE ARG 107 1.040 10.590 10.549 857 HH11 ARG 107 1HH2 ARG 107 3.553 12.633 11.771 858 HH12 ARG 107 2HH2 ARG 107 2.871 12.754 13.359 859 HH21 ARG 107 1HH1 ARG 107 0.141 10.747 12.628 860 HH22 ARG 107 2HH1 ARG 107 0.941 11.687 13.844 861 H GLU 108 H GLU 108 7.443 11.419 7.808 862 HA GLU 108 HA GLU 108 7.532 13.696 9.518 863 HB2 GLU 108 2HB GLU 108 9.437 12.040 8.772 864 HB3 GLU 108 1HB GLU 108 9.639 13.189 7.448 865 HG2 GLU 108 2HG GLU 108 9.449 14.886 9.576 866 HG3 GLU 108 1HG GLU 108 10.247 13.503 10.322 867 H VAL 109 H VAL 109 7.877 13.288 6.047 868 HA VAL 109 HA VAL 109 7.986 15.972 5.261 869 HB VAL 109 HB VAL 109 6.948 14.940 3.097 870 HG11 VAL 109 1HG1 VAL 109 9.290 15.174 3.049 871 HG12 VAL 109 2HG1 VAL 109 9.101 13.417 2.930 872 HG13 VAL 109 3HG1 VAL 109 9.501 14.156 4.476 873 HG21 VAL 109 3HG2 VAL 109 7.260 12.389 3.215 874 HG22 VAL 109 1HG2 VAL 109 5.782 13.104 3.851 875 HG23 VAL 109 2HG2 VAL 109 7.054 12.590 4.945 876 H LEU 110 H LEU 110 5.240 13.742 5.459 877 HA LEU 110 HA LEU 110 3.236 15.634 4.893 878 HB2 LEU 110 2HB LEU 110 3.422 12.894 5.598 879 HB3 LEU 110 1HB LEU 110 2.282 13.610 6.697 880 HG LEU 110 HG LEU 110 0.988 14.506 4.821 881 HD11 LEU 110 1HD1 LEU 110 3.475 14.080 3.451 882 HD12 LEU 110 2HD1 LEU 110 2.060 14.974 2.904 883 HD13 LEU 110 3HD1 LEU 110 2.188 13.244 2.588 884 HD21 LEU 110 3HD2 LEU 110 0.108 12.478 4.019 885 HD22 LEU 110 1HD2 LEU 110 0.861 12.004 5.543 886 HD23 LEU 110 2HD2 LEU 110 1.683 11.688 4.015 887 H ARG 111 H ARG 111 5.044 14.889 7.791 888 HA ARG 111 HA ARG 111 3.431 16.100 9.730 889 HB2 ARG 111 2HB ARG 111 5.782 14.904 9.921 890 HB3 ARG 111 1HB ARG 111 6.392 16.555 9.789 891 HG2 ARG 111 2HG ARG 111 5.170 17.257 11.724 892 HG3 ARG 111 1HG ARG 111 4.237 15.761 11.758 893 HD2 ARG 111 2HD ARG 111 5.799 14.812 13.064 894 HD3 ARG 111 1HD ARG 111 7.007 15.066 11.808 895 HE ARG 111 HE ARG 111 6.638 17.497 13.176 896 HH11 ARG 111 1HH2 ARG 111 7.801 14.278 13.688 897 HH12 ARG 111 2HH2 ARG 111 8.949 14.739 14.900 898 HH21 ARG 111 1HH1 ARG 111 8.139 18.107 14.767 899 HH22 ARG 111 2HH1 ARG 111 9.140 16.905 15.511 900 H LEU 112 H LEU 112 5.587 17.429 7.288 901 HA LEU 112 HA LEU 112 5.544 20.130 8.161 902 HB2 LEU 112 2HB LEU 112 5.775 19.022 5.342 903 HB3 LEU 112 1HB LEU 112 6.134 20.682 5.818 904 HG LEU 112 HG LEU 112 7.502 18.285 7.061 905 HD11 LEU 112 1HD1 LEU 112 8.076 18.266 4.712 906 HD12 LEU 112 2HD1 LEU 112 9.439 18.960 5.590 907 HD13 LEU 112 3HD1 LEU 112 8.328 20.011 4.711 908 HD21 LEU 112 3HD2 LEU 112 7.449 21.125 7.573 909 HD22 LEU 112 1HD2 LEU 112 9.074 20.648 7.076 910 HD23 LEU 112 2HD2 LEU 112 8.306 19.864 8.458 911 H TYR 113 H TYR 113 3.360 18.040 6.496 912 HA TYR 113 HA TYR 113 1.364 20.239 6.316 913 HB2 TYR 113 2HB TYR 113 2.264 18.796 4.192 914 HB3 TYR 113 1HB TYR 113 0.908 17.795 4.710 915 HD1 TYR 113 1HD TYR 113 -1.161 19.456 5.594 916 HD2 TYR 113 2HD TYR 113 1.694 20.282 2.492 917 HE1 TYR 113 1HE TYR 113 -2.744 21.065 4.567 918 HE2 TYR 113 2HE TYR 113 0.110 21.892 1.464 919 HH TYR 113 HH TYR 113 -1.896 22.826 1.579 920 HA PRO 114 HA PRO 114 0.131 17.289 9.668 921 HB2 PRO 114 2HB PRO 114 -1.311 19.688 10.606 922 HB3 PRO 114 1HB PRO 114 -0.170 18.640 11.466 923 HG2 PRO 114 2HG PRO 114 0.480 21.111 10.669 924 HG3 PRO 114 1HG PRO 114 1.657 19.787 10.716 925 HD2 PRO 114 2HD PRO 114 0.267 20.989 8.350 926 HD3 PRO 114 1HD PRO 114 1.921 20.356 8.492 927 H GLU 115 H GLU 115 -2.100 19.631 8.086 928 HA GLU 115 HA GLU 115 -4.466 18.322 8.875 929 HB2 GLU 115 2HB GLU 115 -4.140 19.840 6.289 930 HB3 GLU 115 1HB GLU 115 -5.590 19.677 7.282 931 HG2 GLU 115 2HG GLU 115 -4.459 20.911 9.111 932 HG3 GLU 115 1HG GLU 115 -3.044 21.114 8.081 933 H TYR 116 H TYR 116 -2.722 18.118 5.776 934 HA TYR 116 HA TYR 116 -4.384 16.002 4.789 935 HB2 TYR 116 2HB TYR 116 -2.140 17.600 3.831 936 HB3 TYR 116 1HB TYR 116 -2.030 15.916 3.330 937 HD1 TYR 116 1HD TYR 116 -4.183 18.938 3.280 938 HD2 TYR 116 2HD TYR 116 -3.570 14.972 1.752 939 HE1 TYR 116 1HE TYR 116 -5.936 19.328 1.570 940 HE2 TYR 116 2HE TYR 116 -5.324 15.359 0.042 941 HH TYR 116 HH TYR 116 -7.479 17.975 0.180 942 H ALA 117 H ALA 117 -1.347 16.232 6.495 943 HA ALA 117 HA ALA 117 -0.449 13.596 6.112 944 HB1 ALA 117 1HB ALA 117 1.089 15.190 6.889 945 HB2 ALA 117 2HB ALA 117 0.857 14.069 8.234 946 HB3 ALA 117 3HB ALA 117 0.061 15.640 8.246 947 H GLN 118 H GLN 118 -1.986 14.987 9.017 948 HA GLN 118 HA GLN 118 -2.290 12.601 10.399 949 HB2 GLN 118 2HB GLN 118 -4.094 15.036 10.322 950 HB3 GLN 118 1HB GLN 118 -4.238 13.740 11.496 951 HG2 GLN 118 2HG GLN 118 -1.908 15.619 11.127 952 HG3 GLN 118 1HG GLN 118 -2.948 15.455 12.539 953 HE21 GLN 118 1HE2 GLN 118 -0.167 14.113 10.882 954 HE22 GLN 118 2HE2 GLN 118 0.202 12.940 12.052 955 H LYS 119 H LYS 119 -4.131 14.007 7.786 956 HA LYS 119 HA LYS 119 -6.262 12.089 7.859 957 HB2 LYS 119 2HB LYS 119 -6.378 14.416 6.859 958 HB3 LYS 119 1HB LYS 119 -5.440 13.786 5.505 959 HG2 LYS 119 2HG LYS 119 -7.268 12.825 4.609 960 HG3 LYS 119 1HG LYS 119 -7.617 11.985 6.119 961 HD2 LYS 119 2HD LYS 119 -9.513 13.368 5.743 962 HD3 LYS 119 1HD LYS 119 -8.561 14.226 6.955 963 HE2 LYS 119 2HE LYS 119 -7.655 15.720 5.304 964 HE3 LYS 119 1HE LYS 119 -8.323 14.759 3.985 965 HZ1 LYS 119 3HZ LYS 119 -9.824 16.491 4.223 966 HZ2 LYS 119 1HZ LYS 119 -9.740 16.481 5.916 967 HZ3 LYS 119 2HZ LYS 119 -10.558 15.235 5.101 968 H PHE 120 H PHE 120 -3.068 12.187 6.380 969 HA PHE 120 HA PHE 120 -3.478 10.405 4.262 970 HB2 PHE 120 2HB PHE 120 -1.333 10.865 3.920 971 HB3 PHE 120 1HB PHE 120 -1.317 11.734 5.448 972 HD1 PHE 120 1HD PHE 120 -0.849 8.338 3.948 973 HD2 PHE 120 2HD PHE 120 -0.063 10.931 7.286 974 HE1 PHE 120 1HE PHE 120 0.724 6.668 4.886 975 HE2 PHE 120 2HE PHE 120 1.500 9.258 8.222 976 HZ PHE 120 HZ PHE 120 1.900 7.130 7.023 977 H VAL 121 H VAL 121 -2.537 9.663 7.621 978 HA VAL 121 HA VAL 121 -2.109 6.940 7.317 979 HB VAL 121 HB VAL 121 -2.724 6.740 9.709 980 HG11 VAL 121 1HG1 VAL 121 -1.012 9.015 8.732 981 HG12 VAL 121 2HG1 VAL 121 -0.514 7.474 9.431 982 HG13 VAL 121 3HG1 VAL 121 -1.198 8.731 10.463 983 HG21 VAL 121 3HG2 VAL 121 -4.099 9.271 9.052 984 HG22 VAL 121 1HG2 VAL 121 -3.208 9.295 10.573 985 HG23 VAL 121 2HG2 VAL 121 -4.465 8.087 10.306 986 H SER 122 H SER 122 -5.166 8.679 7.791 987 HA SER 122 HA SER 122 -6.700 6.205 7.703 988 HB2 SER 122 2HB SER 122 -8.424 7.423 8.549 989 HB3 SER 122 1HB SER 122 -7.141 8.555 8.969 990 HG SER 122 HG SER 122 -7.540 9.580 6.940 991 H GLU 123 H GLU 123 -6.066 9.004 5.637 992 HA GLU 123 HA GLU 123 -7.962 8.510 3.636 993 HB2 GLU 123 2HB GLU 123 -6.435 10.550 3.928 994 HB3 GLU 123 1HB GLU 123 -5.212 9.608 3.075 995 HG2 GLU 123 2HG GLU 123 -6.246 10.719 1.308 996 HG3 GLU 123 1HG GLU 123 -7.142 9.202 1.339 997 H ILE 124 H ILE 124 -4.734 7.146 4.127 998 HA ILE 124 HA ILE 124 -4.377 5.926 1.656 999 HB ILE 124 HB ILE 124 -2.876 6.084 3.841 1000 HG12 ILE 124 2HG1 ILE 124 -2.907 4.194 1.526 1001 HG13 ILE 124 1HG1 ILE 124 -1.790 5.505 1.899 1002 HG21 ILE 124 1HG2 ILE 124 -3.629 3.175 3.947 1003 HG22 ILE 124 2HG2 ILE 124 -4.536 4.350 4.901 1004 HG23 ILE 124 3HG2 ILE 124 -2.804 4.156 5.158 1005 HD11 ILE 124 3HD1 ILE 124 -0.634 3.391 2.225 1006 HD12 ILE 124 1HD1 ILE 124 -1.930 2.800 3.267 1007 HD13 ILE 124 2HD1 ILE 124 -0.905 4.132 3.800 1008 H GLN 125 H GLN 125 -6.368 4.974 4.385 1009 HA GLN 125 HA GLN 125 -6.860 2.310 3.583 1010 HB2 GLN 125 2HB GLN 125 -7.903 2.265 5.561 1011 HB3 GLN 125 1HB GLN 125 -7.620 3.997 5.703 1012 HG2 GLN 125 2HG GLN 125 -9.973 3.653 5.913 1013 HG3 GLN 125 1HG GLN 125 -9.643 4.373 4.346 1014 HE21 GLN 125 1HE2 GLN 125 -11.864 3.341 3.820 1015 HE22 GLN 125 2HE2 GLN 125 -11.859 1.723 3.305 1016 H HIS 126 H HIS 126 -8.215 5.372 2.657 1017 HA HIS 126 HA HIS 126 -10.539 4.391 1.349 1018 HB2 HIS 126 2HB HIS 126 -9.263 6.919 1.788 1019 HB3 HIS 126 1HB HIS 126 -9.647 6.767 0.076 1020 HD1 HIS 126 1HD HIS 126 -11.725 8.208 -0.056 1021 HD2 HIS 126 2HD HIS 126 -11.954 5.365 2.985 1022 HE1 HIS 126 1HE HIS 126 -14.099 8.287 0.822 1023 HE2 HIS 126 2HE HIS 126 -14.254 6.562 2.678 1024 H ASP 127 H ASP 127 -7.268 5.186 0.209 1025 HA ASP 127 HA ASP 127 -7.920 4.158 -2.455 1026 HB2 ASP 127 2HB ASP 127 -6.019 5.264 -3.219 1027 HB3 ASP 127 1HB ASP 127 -6.572 6.325 -1.926 1028 H LEU 128 H LEU 128 -7.107 2.788 0.359 1029 HA LEU 128 HA LEU 128 -4.869 1.153 -0.341 1030 HB2 LEU 128 2HB LEU 128 -5.359 1.499 1.989 1031 HB3 LEU 128 1HB LEU 128 -6.997 0.877 1.791 1032 HG LEU 128 HG LEU 128 -5.028 -1.028 0.817 1033 HD11 LEU 128 1HD1 LEU 128 -3.721 0.196 2.649 1034 HD12 LEU 128 2HD1 LEU 128 -3.896 -1.546 2.851 1035 HD13 LEU 128 3HD1 LEU 128 -4.910 -0.444 3.782 1036 HD21 LEU 128 3HD2 LEU 128 -6.865 -1.339 3.189 1037 HD22 LEU 128 1HD2 LEU 128 -6.385 -2.552 2.003 1038 HD23 LEU 128 2HD2 LEU 128 -7.512 -1.274 1.550 1039 H THR 129 H THR 129 -4.794 -0.698 -1.470 1040 HA THR 129 HA THR 129 -7.320 -1.766 -2.517 1041 HB THR 129 HB THR 129 -4.467 -1.868 -3.394 1042 HG1 THR 129 1HG THR 129 -6.947 -1.070 -4.310 1043 HG21 THR 129 3HG2 THR 129 -6.525 -4.009 -3.765 1044 HG22 THR 129 1HG2 THR 129 -4.777 -4.156 -3.589 1045 HG23 THR 129 2HG2 THR 129 -5.467 -3.618 -5.119 1046 H TYR 130 H TYR 130 -4.336 -2.887 -0.895 1047 HA TYR 130 HA TYR 130 -5.914 -5.162 0.131 1048 HB2 TYR 130 2HB TYR 130 -4.273 -5.713 -1.810 1049 HB3 TYR 130 1HB TYR 130 -3.015 -5.502 -0.587 1050 HD1 TYR 130 2HD TYR 130 -6.003 -7.465 -1.550 1051 HD2 TYR 130 1HD TYR 130 -2.766 -7.068 1.245 1052 HE1 TYR 130 2HE TYR 130 -6.503 -9.722 -0.651 1053 HE2 TYR 130 1HE TYR 130 -3.266 -9.324 2.145 1054 HH TYR 130 HH TYR 130 -6.079 -11.169 1.020 1055 H ASN 131 H ASN 131 -5.655 -5.601 2.241 1056 HA ASN 131 HA ASN 131 -3.786 -3.895 3.741 1057 HB2 ASN 131 2HB ASN 131 -5.261 -3.930 5.508 1058 HB3 ASN 131 1HB ASN 131 -6.389 -4.096 4.165 1059 HD21 ASN 131 1HD2 ASN 131 -4.548 -6.061 6.548 1060 HD22 ASN 131 2HD2 ASN 131 -5.659 -7.344 6.567 1061 H LEU 132 H LEU 132 -1.903 -4.842 4.231 1062 HA LEU 132 HA LEU 132 -1.688 -7.737 4.387 1063 HB2 LEU 132 2HB LEU 132 0.072 -6.254 3.363 1064 HB3 LEU 132 1HB LEU 132 0.422 -5.653 4.982 1065 HG LEU 132 HG LEU 132 0.741 -8.101 5.660 1066 HD11 LEU 132 1HD1 LEU 132 -0.057 -8.405 2.910 1067 HD12 LEU 132 2HD1 LEU 132 0.243 -9.659 4.114 1068 HD13 LEU 132 3HD1 LEU 132 1.570 -9.055 3.120 1069 HD21 LEU 132 3HD2 LEU 132 2.947 -7.981 3.946 1070 HD22 LEU 132 1HD2 LEU 132 2.854 -7.299 5.569 1071 HD23 LEU 132 2HD2 LEU 132 2.480 -6.294 4.169 1072 H ARG 133 H ARG 133 -2.241 -8.769 6.199 1073 HA ARG 133 HA ARG 133 -1.975 -7.363 8.772 1074 HB2 ARG 133 2HB ARG 133 -4.147 -8.581 7.880 1075 HB3 ARG 133 1HB ARG 133 -3.333 -10.002 8.525 1076 HG2 ARG 133 2HG ARG 133 -2.974 -8.605 10.664 1077 HG3 ARG 133 1HG ARG 133 -4.193 -7.518 9.997 1078 HD2 ARG 133 2HD ARG 133 -5.064 -9.337 11.559 1079 HD3 ARG 133 1HD ARG 133 -5.857 -9.217 9.992 1080 HE ARG 133 HE ARG 133 -3.751 -11.065 9.763 1081 HH11 ARG 133 1HH2 ARG 133 -6.777 -10.640 11.389 1082 HH12 ARG 133 2HH2 ARG 133 -7.136 -12.334 11.455 1083 HH21 ARG 133 1HH1 ARG 133 -4.216 -13.287 9.846 1084 HH22 ARG 133 2HH1 ARG 133 -5.686 -13.831 10.581 1085 H GLU 134 H GLU 134 -1.025 -8.426 10.576 1086 HA GLU 134 HA GLU 134 1.182 -10.180 9.816 1087 HB2 GLU 134 2HB GLU 134 1.861 -9.816 12.229 1088 HB3 GLU 134 1HB GLU 134 1.793 -8.355 11.244 1089 HG2 GLU 134 2HG GLU 134 -0.309 -7.709 12.173 1090 HG3 GLU 134 1HG GLU 134 -0.547 -9.292 12.913 1091 H GLY 135 H GLY 135 1.595 -12.187 10.795 1092 HA2 GLY 135 2HA GLY 135 1.102 -14.147 11.955 1093 HA3 GLY 135 1HA GLY 135 -0.356 -13.380 12.577 Start of MODEL 15 1 H1 MET 1 H MET 1 1.718 13.801 -17.906 2 HA MET 1 HA MET 1 -0.971 14.456 -18.677 3 HB2 MET 1 2HB MET 1 0.550 14.395 -20.843 4 HB3 MET 1 1HB MET 1 0.350 12.652 -20.660 5 HG2 MET 1 2HG MET 1 -2.189 13.253 -20.359 6 HG3 MET 1 1HG MET 1 -1.737 14.750 -21.173 7 HE1 MET 1 3HE MET 1 -3.460 11.869 -21.640 8 HE2 MET 1 1HE MET 1 -3.452 11.688 -23.400 9 HE3 MET 1 2HE MET 1 -3.875 13.236 -22.672 10 H ASN 2 H ASN 2 1.223 11.663 -19.093 11 HA ASN 2 HA ASN 2 -0.427 9.592 -18.524 12 HB2 ASN 2 2HB ASN 2 2.093 9.540 -18.963 13 HB3 ASN 2 1HB ASN 2 2.290 9.772 -17.227 14 HD21 ASN 2 1HD2 ASN 2 2.178 7.910 -15.941 15 HD22 ASN 2 2HD2 ASN 2 1.618 6.403 -16.483 16 H LYS 3 H LYS 3 0.410 12.137 -16.387 17 HA LYS 3 HA LYS 3 -0.151 12.598 -14.207 18 HB2 LYS 3 2HB LYS 3 -2.424 12.116 -15.102 19 HB3 LYS 3 1HB LYS 3 -2.221 10.429 -14.630 20 HG2 LYS 3 2HG LYS 3 -1.693 11.361 -12.273 21 HG3 LYS 3 1HG LYS 3 -2.413 12.862 -12.858 22 HD2 LYS 3 2HD LYS 3 -3.764 10.146 -12.852 23 HD3 LYS 3 1HD LYS 3 -4.101 11.464 -11.728 24 HE2 LYS 3 2HE LYS 3 -5.767 11.809 -13.312 25 HE3 LYS 3 1HE LYS 3 -4.489 12.846 -13.945 26 HZ1 LYS 3 3HZ LYS 3 -4.256 10.134 -14.830 27 HZ2 LYS 3 1HZ LYS 3 -4.257 11.569 -15.733 28 HZ3 LYS 3 2HZ LYS 3 -5.729 10.839 -15.297 29 H GLU 4 H GLU 4 1.392 12.036 -12.797 30 HA GLU 4 HA GLU 4 2.444 9.462 -12.424 31 HB2 GLU 4 2HB GLU 4 2.451 11.957 -10.739 32 HB3 GLU 4 1HB GLU 4 3.196 10.465 -10.162 33 HG2 GLU 4 2HG GLU 4 4.644 10.380 -12.119 34 HG3 GLU 4 1HG GLU 4 3.846 11.791 -12.809 35 H LEU 5 H LEU 5 2.255 8.049 -10.569 36 HA LEU 5 HA LEU 5 -0.444 7.447 -9.934 37 HB2 LEU 5 2HB LEU 5 1.506 5.812 -10.064 38 HB3 LEU 5 1HB LEU 5 1.993 6.412 -8.483 39 HG LEU 5 HG LEU 5 0.574 4.307 -8.466 40 HD11 LEU 5 1HD1 LEU 5 0.585 6.493 -6.749 41 HD12 LEU 5 2HD1 LEU 5 0.044 4.862 -6.376 42 HD13 LEU 5 3HD1 LEU 5 -1.117 6.068 -6.924 43 HD21 LEU 5 3HD2 LEU 5 -1.678 4.335 -9.052 44 HD22 LEU 5 1HD2 LEU 5 -0.980 5.367 -10.298 45 HD23 LEU 5 2HD2 LEU 5 -1.798 6.087 -8.908 46 H LEU 6 H LEU 6 1.919 9.488 -8.438 47 HA LEU 6 HA LEU 6 1.101 9.374 -5.805 48 HB2 LEU 6 2HB LEU 6 1.841 11.708 -5.532 49 HB3 LEU 6 1HB LEU 6 3.037 10.695 -6.361 50 HG LEU 6 HG LEU 6 1.695 11.564 -8.520 51 HD11 LEU 6 1HD1 LEU 6 1.291 13.660 -6.374 52 HD12 LEU 6 2HD1 LEU 6 0.075 12.936 -7.425 53 HD13 LEU 6 3HD1 LEU 6 1.266 14.051 -8.092 54 HD21 LEU 6 3HD2 LEU 6 3.394 13.587 -8.400 55 HD22 LEU 6 1HD2 LEU 6 3.996 11.934 -8.518 56 HD23 LEU 6 2HD2 LEU 6 3.965 12.752 -6.956 57 H GLN 7 H GLN 7 -1.136 9.552 -7.952 58 HA GLN 7 HA GLN 7 -2.579 11.906 -7.419 59 HB2 GLN 7 2HB GLN 7 -3.115 10.189 -9.212 60 HB3 GLN 7 1HB GLN 7 -3.790 9.179 -7.935 61 HG2 GLN 7 2HG GLN 7 -4.820 11.839 -7.630 62 HG3 GLN 7 1HG GLN 7 -5.053 11.336 -9.305 63 HE21 GLN 7 1HE2 GLN 7 -6.063 10.768 -5.998 64 HE22 GLN 7 2HE2 GLN 7 -7.237 9.595 -6.356 65 H LEU 8 H LEU 8 -1.693 9.239 -5.525 66 HA LEU 8 HA LEU 8 -3.752 8.891 -3.722 67 HB2 LEU 8 2HB LEU 8 -1.065 8.205 -3.787 68 HB3 LEU 8 1HB LEU 8 -1.194 9.223 -2.350 69 HG LEU 8 HG LEU 8 -3.221 7.821 -1.703 70 HD11 LEU 8 1HD1 LEU 8 -3.906 6.696 -3.616 71 HD12 LEU 8 2HD1 LEU 8 -2.938 5.443 -2.838 72 HD13 LEU 8 3HD1 LEU 8 -2.255 6.393 -4.156 73 HD21 LEU 8 3HD2 LEU 8 -1.329 5.726 -1.567 74 HD22 LEU 8 1HD2 LEU 8 -1.643 6.953 -0.340 75 HD23 LEU 8 2HD2 LEU 8 -0.389 7.219 -1.551 76 HA PRO 9 HA PRO 9 -4.797 13.062 -2.544 77 HB2 PRO 9 2HB PRO 9 -5.409 11.614 -0.005 78 HB3 PRO 9 1HB PRO 9 -6.351 12.833 -0.876 79 HG2 PRO 9 2HG PRO 9 -6.936 10.247 -1.056 80 HG3 PRO 9 1HG PRO 9 -7.099 11.334 -2.447 81 HD2 PRO 9 2HD PRO 9 -5.083 9.213 -1.961 82 HD3 PRO 9 1HD PRO 9 -5.638 9.922 -3.494 83 H LEU 10 H LEU 10 -2.323 11.261 -0.784 84 HA LEU 10 HA LEU 10 -1.977 13.267 1.213 85 HB2 LEU 10 2HB LEU 10 0.378 12.300 1.369 86 HB3 LEU 10 1HB LEU 10 -1.011 11.360 1.936 87 HG LEU 10 HG LEU 10 -0.801 10.740 -0.783 88 HD11 LEU 10 1HD1 LEU 10 1.479 11.945 -0.468 89 HD12 LEU 10 2HD1 LEU 10 1.453 10.366 -1.280 90 HD13 LEU 10 3HD1 LEU 10 1.942 10.475 0.411 91 HD21 LEU 10 3HD2 LEU 10 -1.388 9.004 0.635 92 HD22 LEU 10 1HD2 LEU 10 -0.160 9.415 1.834 93 HD23 LEU 10 2HD2 LEU 10 0.304 8.597 0.337 94 H PHE 11 H PHE 11 -0.206 12.556 -1.745 95 HA PHE 11 HA PHE 11 1.042 15.172 -1.399 96 HB2 PHE 11 2HB PHE 11 2.671 14.306 -3.131 97 HB3 PHE 11 1HB PHE 11 2.830 13.773 -1.472 98 HD1 PHE 11 1HD PHE 11 0.035 12.488 -3.381 99 HD2 PHE 11 2HD PHE 11 4.120 11.819 -2.300 100 HE1 PHE 11 1HE PHE 11 -0.172 10.129 -4.077 101 HE2 PHE 11 2HE PHE 11 3.923 9.445 -2.982 102 HZ PHE 11 HZ PHE 11 1.771 8.594 -3.869 103 H GLU 12 H GLU 12 -1.435 13.858 -3.040 104 HA GLU 12 HA GLU 12 -0.979 14.912 -5.668 105 HB2 GLU 12 2HB GLU 12 -2.522 13.039 -5.304 106 HB3 GLU 12 1HB GLU 12 -3.541 14.069 -4.299 107 HG2 GLU 12 2HG GLU 12 -4.279 13.801 -6.723 108 HG3 GLU 12 1HG GLU 12 -4.138 15.449 -6.118 109 H SER 13 H SER 13 -2.697 16.012 -2.773 110 HA SER 13 HA SER 13 -3.239 18.579 -4.119 111 HB2 SER 13 2HB SER 13 -5.289 17.849 -3.343 112 HB3 SER 13 1HB SER 13 -4.596 17.074 -1.922 113 HG SER 13 HG SER 13 -4.378 19.855 -2.250 114 H ALA 14 H ALA 14 -0.717 17.525 -2.517 115 HA ALA 14 HA ALA 14 -0.606 19.595 -0.456 116 HB1 ALA 14 1HB ALA 14 1.797 17.975 -1.016 117 HB2 ALA 14 2HB ALA 14 0.376 17.047 -0.516 118 HB3 ALA 14 3HB ALA 14 1.000 18.325 0.523 119 H SER 15 H SER 15 0.960 21.241 -0.481 120 HA SER 15 HA SER 15 1.582 22.335 -3.007 121 HB2 SER 15 2HB SER 15 1.853 23.135 -0.319 122 HB3 SER 15 1HB SER 15 3.490 23.122 -0.969 123 HG SER 15 HG SER 15 2.947 24.927 -1.886 124 H ARG 16 H ARG 16 3.537 22.248 -4.203 125 HA ARG 16 HA ARG 16 4.808 19.831 -4.370 126 HB2 ARG 16 2HB ARG 16 5.875 22.602 -4.965 127 HB3 ARG 16 1HB ARG 16 6.792 21.142 -5.329 128 HG2 ARG 16 2HG ARG 16 3.947 21.443 -6.274 129 HG3 ARG 16 1HG ARG 16 5.280 22.140 -7.195 130 HD2 ARG 16 2HD ARG 16 4.888 19.225 -6.471 131 HD3 ARG 16 1HD ARG 16 4.845 19.936 -8.079 132 HE ARG 16 HE ARG 16 7.335 20.109 -6.513 133 HH11 ARG 16 1HH2 ARG 16 5.503 18.879 -9.184 134 HH12 ARG 16 2HH2 ARG 16 6.890 18.297 -10.040 135 HH21 ARG 16 1HH1 ARG 16 9.152 19.341 -7.631 136 HH22 ARG 16 2HH1 ARG 16 8.953 18.556 -9.163 137 H GLY 17 H GLY 17 5.080 22.213 -1.957 138 HA2 GLY 17 2HA GLY 17 7.645 21.722 -0.923 139 HA3 GLY 17 1HA GLY 17 6.271 22.322 0.002 140 H CYS 18 H CYS 18 4.487 20.152 -0.214 141 HA CYS 18 HA CYS 18 5.633 18.370 1.735 142 HB2 CYS 18 2HB CYS 18 3.035 19.040 0.834 143 HB3 CYS 18 1HB CYS 18 3.236 17.313 0.520 144 HG CYS 18 HG CYS 18 4.235 17.607 3.235 145 H LEU 19 H LEU 19 4.828 18.133 -1.725 146 HA LEU 19 HA LEU 19 5.452 15.399 -1.944 147 HB2 LEU 19 2HB LEU 19 4.302 16.613 -3.750 148 HB3 LEU 19 1HB LEU 19 5.765 17.552 -4.053 149 HG LEU 19 HG LEU 19 6.966 15.629 -4.790 150 HD11 LEU 19 1HD1 LEU 19 4.719 14.108 -3.467 151 HD12 LEU 19 2HD1 LEU 19 6.462 13.919 -3.264 152 HD13 LEU 19 3HD1 LEU 19 5.681 13.352 -4.738 153 HD21 LEU 19 3HD2 LEU 19 4.139 15.801 -5.803 154 HD22 LEU 19 1HD2 LEU 19 5.230 14.575 -6.449 155 HD23 LEU 19 2HD2 LEU 19 5.636 16.285 -6.601 156 H ARG 20 H ARG 20 7.414 18.282 -1.833 157 HA ARG 20 HA ARG 20 9.874 17.026 -2.608 158 HB2 ARG 20 2HB ARG 20 10.056 19.326 -2.806 159 HB3 ARG 20 1HB ARG 20 9.095 19.639 -1.370 160 HG2 ARG 20 2HG ARG 20 11.821 18.366 -1.204 161 HG3 ARG 20 1HG ARG 20 11.586 20.113 -1.199 162 HD2 ARG 20 2HD ARG 20 9.727 19.099 0.655 163 HD3 ARG 20 1HD ARG 20 11.229 18.238 0.968 164 HE ARG 20 HE ARG 20 11.368 21.158 0.714 165 HH11 ARG 20 1HH2 ARG 20 11.365 18.298 2.661 166 HH12 ARG 20 2HH2 ARG 20 12.057 19.073 4.047 167 HH21 ARG 20 1HH1 ARG 20 12.276 22.182 2.528 168 HH22 ARG 20 2HH1 ARG 20 12.573 21.272 3.972 169 H SER 21 H SER 21 8.039 17.496 0.303 170 HA SER 21 HA SER 21 9.958 16.681 2.244 171 HB2 SER 21 2HB SER 21 6.986 16.325 2.436 172 HB3 SER 21 1HB SER 21 8.139 16.696 3.721 173 HG SER 21 HG SER 21 8.502 18.613 2.123 174 H LEU 22 H LEU 22 7.293 14.904 0.674 175 HA LEU 22 HA LEU 22 8.005 12.379 1.710 176 HB2 LEU 22 2HB LEU 22 6.122 13.424 -0.194 177 HB3 LEU 22 1HB LEU 22 6.919 12.002 -0.873 178 HG LEU 22 HG LEU 22 6.450 10.791 1.268 179 HD11 LEU 22 1HD1 LEU 22 5.333 11.758 2.988 180 HD12 LEU 22 2HD1 LEU 22 4.350 12.772 1.938 181 HD13 LEU 22 3HD1 LEU 22 6.006 13.242 2.323 182 HD21 LEU 22 3HD2 LEU 22 4.034 11.949 -0.126 183 HD22 LEU 22 1HD2 LEU 22 4.093 10.438 0.780 184 HD23 LEU 22 2HD2 LEU 22 4.999 10.591 -0.724 185 H SER 23 H SER 23 8.847 14.058 -1.304 186 HA SER 23 HA SER 23 10.346 12.008 -2.422 187 HB2 SER 23 2HB SER 23 10.062 13.490 -4.042 188 HB3 SER 23 1HB SER 23 10.040 14.862 -2.927 189 HG SER 23 HG SER 23 12.445 14.076 -2.748 190 H LEU 24 H LEU 24 11.168 14.295 0.056 191 HA LEU 24 HA LEU 24 13.964 14.012 -0.023 192 HB2 LEU 24 2HB LEU 24 12.002 15.062 1.809 193 HB3 LEU 24 1HB LEU 24 13.222 14.134 2.681 194 HG LEU 24 HG LEU 24 13.801 16.558 2.339 195 HD11 LEU 24 1HD1 LEU 24 15.407 14.204 1.836 196 HD12 LEU 24 2HD1 LEU 24 15.847 15.685 2.688 197 HD13 LEU 24 3HD1 LEU 24 16.031 15.587 0.936 198 HD21 LEU 24 3HD2 LEU 24 14.741 16.217 -0.378 199 HD22 LEU 24 1HD2 LEU 24 13.719 17.490 0.289 200 HD23 LEU 24 2HD2 LEU 24 12.995 15.991 -0.292 201 H ILE 25 H ILE 25 11.365 11.980 1.192 202 HA ILE 25 HA ILE 25 13.399 9.932 1.859 203 HB ILE 25 HB ILE 25 11.985 10.866 3.793 204 HG12 ILE 25 2HG1 ILE 25 11.484 8.097 4.102 205 HG13 ILE 25 1HG1 ILE 25 12.888 8.215 3.079 206 HG21 ILE 25 1HG2 ILE 25 10.005 8.820 3.148 207 HG22 ILE 25 2HG2 ILE 25 9.905 10.234 2.089 208 HG23 ILE 25 3HG2 ILE 25 9.750 10.420 3.841 209 HD11 ILE 25 3HD1 ILE 25 13.784 8.246 5.273 210 HD12 ILE 25 1HD1 ILE 25 12.496 9.302 5.863 211 HD13 ILE 25 2HD1 ILE 25 13.757 9.947 4.806 212 H ILE 26 H ILE 26 11.852 10.432 -0.729 213 HA ILE 26 HA ILE 26 9.955 8.403 -1.068 214 HB ILE 26 HB ILE 26 11.460 10.295 -2.710 215 HG12 ILE 26 2HG1 ILE 26 8.997 10.372 -2.005 216 HG13 ILE 26 1HG1 ILE 26 9.337 10.668 -3.713 217 HG21 ILE 26 1HG2 ILE 26 10.695 7.643 -3.788 218 HG22 ILE 26 2HG2 ILE 26 12.256 8.431 -3.916 219 HG23 ILE 26 3HG2 ILE 26 10.872 9.041 -4.829 220 HD11 ILE 26 3HD1 ILE 26 7.580 8.791 -2.733 221 HD12 ILE 26 1HD1 ILE 26 9.021 7.854 -3.127 222 HD13 ILE 26 2HD1 ILE 26 8.250 8.848 -4.364 223 H LYS 27 H LYS 27 10.139 6.265 -1.430 224 HA LYS 27 HA LYS 27 12.838 5.209 -2.063 225 HB2 LYS 27 2HB LYS 27 10.805 3.627 -0.500 226 HB3 LYS 27 1HB LYS 27 12.540 3.366 -0.634 227 HG2 LYS 27 2HG LYS 27 11.309 5.813 0.660 228 HG3 LYS 27 1HG LYS 27 11.830 4.386 1.556 229 HD2 LYS 27 2HD LYS 27 13.974 5.075 -0.165 230 HD3 LYS 27 1HD LYS 27 13.426 6.578 0.578 231 HE2 LYS 27 2HE LYS 27 13.524 5.440 2.812 232 HE3 LYS 27 1HE LYS 27 14.236 4.037 2.018 233 HZ1 LYS 27 3HZ LYS 27 15.375 6.704 2.458 234 HZ2 LYS 27 1HZ LYS 27 15.865 5.828 1.090 235 HZ3 LYS 27 2HZ LYS 27 16.097 5.177 2.641 236 H THR 28 H THR 28 12.888 3.291 -3.397 237 HA THR 28 HA THR 28 10.389 2.842 -4.916 238 HB THR 28 HB THR 28 11.440 3.097 -6.949 239 HG1 THR 28 1HG THR 28 13.380 2.346 -7.314 240 HG21 THR 28 3HG2 THR 28 12.821 5.091 -6.877 241 HG22 THR 28 1HG2 THR 28 13.214 4.802 -5.183 242 HG23 THR 28 2HG2 THR 28 11.568 5.232 -5.644 243 H SER 29 H SER 29 9.971 0.770 -5.595 244 HA SER 29 HA SER 29 11.953 -1.328 -5.002 245 HB2 SER 29 2HB SER 29 9.828 -2.664 -4.194 246 HB3 SER 29 1HB SER 29 10.684 -1.603 -3.077 247 HG SER 29 HG SER 29 9.134 0.051 -3.965 248 H PHE 30 H PHE 30 11.967 -2.975 -6.499 249 HA PHE 30 HA PHE 30 9.793 -2.982 -8.503 250 HB2 PHE 30 2HB PHE 30 11.355 -3.187 -10.297 251 HB3 PHE 30 1HB PHE 30 11.888 -1.824 -9.315 252 HD1 PHE 30 2HD PHE 30 12.433 -5.474 -9.893 253 HD2 PHE 30 1HD PHE 30 14.022 -1.814 -8.306 254 HE1 PHE 30 2HE PHE 30 14.626 -6.579 -9.538 255 HE2 PHE 30 1HE PHE 30 16.214 -2.917 -7.950 256 HZ PHE 30 HZ PHE 30 16.515 -5.300 -8.566 257 H CYS 31 H CYS 31 9.046 -4.927 -9.115 258 HA CYS 31 HA CYS 31 10.487 -7.320 -8.134 259 HB2 CYS 31 2HB CYS 31 7.498 -7.111 -8.486 260 HB3 CYS 31 1HB CYS 31 8.409 -8.402 -7.694 261 HG CYS 31 HG CYS 31 7.703 -5.674 -6.453 262 H ALA 32 H ALA 32 10.350 -9.205 -9.437 263 HA ALA 32 HA ALA 32 9.706 -8.639 -12.264 264 HB1 ALA 32 1HB ALA 32 11.462 -10.847 -12.094 265 HB2 ALA 32 2HB ALA 32 12.090 -9.618 -10.997 266 HB3 ALA 32 3HB ALA 32 11.824 -9.229 -12.697 267 HA PRO 33 HA PRO 33 6.994 -12.099 -12.575 268 HB2 PRO 33 2HB PRO 33 8.751 -13.521 -14.492 269 HB3 PRO 33 1HB PRO 33 7.094 -12.929 -14.708 270 HG2 PRO 33 2HG PRO 33 9.213 -11.754 -15.865 271 HG3 PRO 33 1HG PRO 33 7.776 -10.853 -15.357 272 HD2 PRO 33 2HD PRO 33 10.474 -10.967 -14.083 273 HD3 PRO 33 1HD PRO 33 9.293 -9.639 -14.124 274 H GLY 34 H GLY 34 6.786 -13.613 -11.017 275 HA2 GLY 34 2HA GLY 34 7.207 -15.479 -9.726 276 HA3 GLY 34 1HA GLY 34 8.520 -15.876 -10.831 277 H GLU 35 H GLU 35 8.946 -12.732 -9.854 278 HA GLU 35 HA GLU 35 11.236 -13.374 -8.273 279 HB2 GLU 35 2HB GLU 35 10.656 -11.301 -9.807 280 HB3 GLU 35 1HB GLU 35 10.138 -10.644 -8.265 281 HG2 GLU 35 2HG GLU 35 12.805 -12.000 -8.476 282 HG3 GLU 35 1HG GLU 35 12.601 -10.347 -9.006 283 H PHE 36 H PHE 36 11.441 -13.596 -6.145 284 HA PHE 36 HA PHE 36 9.085 -13.359 -4.458 285 HB2 PHE 36 2HB PHE 36 11.891 -14.354 -3.954 286 HB3 PHE 36 1HB PHE 36 10.645 -14.292 -2.708 287 HD1 PHE 36 2HD PHE 36 10.954 -15.409 -6.285 288 HD2 PHE 36 1HD PHE 36 9.461 -16.255 -2.347 289 HE1 PHE 36 2HE PHE 36 10.033 -17.564 -7.098 290 HE2 PHE 36 1HE PHE 36 8.540 -18.410 -3.160 291 HZ PHE 36 HZ PHE 36 8.826 -19.065 -5.534 292 H LEU 37 H LEU 37 8.576 -11.480 -3.520 293 HA LEU 37 HA LEU 37 10.670 -9.501 -2.997 294 HB2 LEU 37 2HB LEU 37 8.188 -9.164 -3.981 295 HB3 LEU 37 1HB LEU 37 7.855 -8.947 -2.263 296 HG LEU 37 HG LEU 37 9.701 -7.269 -2.156 297 HD11 LEU 37 1HD1 LEU 37 10.145 -6.380 -4.654 298 HD12 LEU 37 2HD1 LEU 37 9.923 -8.093 -5.014 299 HD13 LEU 37 3HD1 LEU 37 11.184 -7.582 -3.890 300 HD21 LEU 37 3HD2 LEU 37 7.325 -6.928 -3.973 301 HD22 LEU 37 1HD2 LEU 37 8.439 -5.585 -3.714 302 HD23 LEU 37 2HD2 LEU 37 7.576 -6.292 -2.347 303 H ILE 38 H ILE 38 8.020 -11.115 -1.195 304 HA ILE 38 HA ILE 38 9.522 -10.559 1.242 305 HB ILE 38 HB ILE 38 7.069 -9.613 0.777 306 HG12 ILE 38 2HG1 ILE 38 6.899 -10.071 3.451 307 HG13 ILE 38 1HG1 ILE 38 8.623 -10.333 3.183 308 HG21 ILE 38 1HG2 ILE 38 6.527 -12.204 0.821 309 HG22 ILE 38 2HG2 ILE 38 5.376 -11.012 1.370 310 HG23 ILE 38 3HG2 ILE 38 6.375 -11.893 2.532 311 HD11 ILE 38 3HD1 ILE 38 7.022 -7.844 2.824 312 HD12 ILE 38 1HD1 ILE 38 8.337 -8.145 1.679 313 HD13 ILE 38 2HD1 ILE 38 8.675 -8.041 3.414 314 H ARG 39 H ARG 39 9.682 -12.114 2.853 315 HA ARG 39 HA ARG 39 8.815 -14.822 2.081 316 HB2 ARG 39 2HB ARG 39 11.215 -15.107 3.536 317 HB3 ARG 39 1HB ARG 39 10.934 -15.461 1.839 318 HG2 ARG 39 2HG ARG 39 12.825 -13.874 2.198 319 HG3 ARG 39 1HG ARG 39 11.532 -13.217 1.193 320 HD2 ARG 39 2HD ARG 39 11.283 -11.519 2.633 321 HD3 ARG 39 1HD ARG 39 10.860 -12.678 3.894 322 HE ARG 39 HE ARG 39 13.069 -12.549 4.698 323 HH11 ARG 39 1HH2 ARG 39 12.637 -10.854 1.714 324 HH12 ARG 39 2HH2 ARG 39 14.148 -10.014 1.809 325 HH21 ARG 39 1HH1 ARG 39 15.055 -11.451 4.834 326 HH22 ARG 39 2HH1 ARG 39 15.519 -10.353 3.576 327 H GLN 40 H GLN 40 7.282 -15.157 3.500 328 HA GLN 40 HA GLN 40 6.286 -14.441 5.695 329 HB2 GLN 40 2HB GLN 40 5.701 -16.643 5.211 330 HB3 GLN 40 1HB GLN 40 7.369 -17.200 5.267 331 HG2 GLN 40 2HG GLN 40 7.436 -17.217 7.600 332 HG3 GLN 40 1HG GLN 40 6.109 -16.066 7.745 333 HE21 GLN 40 1HE2 GLN 40 3.963 -16.905 7.820 334 HE22 GLN 40 2HE2 GLN 40 3.614 -18.564 7.747 335 H GLY 41 H GLY 41 6.717 -13.674 7.661 336 HA2 GLY 41 2HA GLY 41 7.796 -13.547 9.744 337 HA3 GLY 41 1HA GLY 41 9.130 -14.482 9.086 338 H ASP 42 H ASP 42 8.280 -12.055 6.932 339 HA ASP 42 HA ASP 42 10.721 -10.620 7.458 340 HB2 ASP 42 2HB ASP 42 8.724 -10.727 5.332 341 HB3 ASP 42 1HB ASP 42 9.291 -9.088 5.656 342 H ALA 43 H ALA 43 10.395 -8.069 7.156 343 HA ALA 43 HA ALA 43 8.517 -7.220 9.277 344 HB1 ALA 43 1HB ALA 43 11.376 -6.526 8.747 345 HB2 ALA 43 2HB ALA 43 10.587 -6.907 10.277 346 HB3 ALA 43 3HB ALA 43 10.328 -5.335 9.518 347 H LEU 44 H LEU 44 6.878 -6.298 8.181 348 HA LEU 44 HA LEU 44 7.391 -4.673 5.820 349 HB2 LEU 44 2HB LEU 44 5.491 -6.149 5.742 350 HB3 LEU 44 1HB LEU 44 4.825 -5.435 7.213 351 HG LEU 44 HG LEU 44 4.447 -3.335 6.116 352 HD11 LEU 44 1HD1 LEU 44 6.201 -4.558 3.993 353 HD12 LEU 44 2HD1 LEU 44 6.390 -3.004 4.809 354 HD13 LEU 44 3HD1 LEU 44 5.118 -3.221 3.605 355 HD21 LEU 44 3HD2 LEU 44 3.689 -5.783 4.547 356 HD22 LEU 44 1HD2 LEU 44 3.214 -4.186 3.972 357 HD23 LEU 44 2HD2 LEU 44 2.665 -4.754 5.549 358 H GLN 45 H GLN 45 7.954 -2.607 6.055 359 HA GLN 45 HA GLN 45 6.702 -1.055 8.242 360 HB2 GLN 45 2HB GLN 45 9.524 -0.891 7.164 361 HB3 GLN 45 1HB GLN 45 8.809 0.324 8.224 362 HG2 GLN 45 2HG GLN 45 8.375 -1.435 9.919 363 HG3 GLN 45 1HG GLN 45 9.148 -2.620 8.867 364 HE21 GLN 45 1HE2 GLN 45 11.412 -2.793 9.001 365 HE22 GLN 45 2HE2 GLN 45 12.401 -1.714 9.861 366 H ALA 46 H ALA 46 8.105 -0.960 4.984 367 HA ALA 46 HA ALA 46 6.970 1.676 4.484 368 HB1 ALA 46 1HB ALA 46 9.044 1.505 3.454 369 HB2 ALA 46 2HB ALA 46 7.957 1.109 2.121 370 HB3 ALA 46 3HB ALA 46 8.793 -0.179 2.989 371 H ILE 47 H ILE 47 5.556 2.100 2.708 372 HA ILE 47 HA ILE 47 3.705 -0.136 2.133 373 HB ILE 47 HB ILE 47 2.470 1.531 3.255 374 HG12 ILE 47 2HG1 ILE 47 2.228 2.261 0.319 375 HG13 ILE 47 1HG1 ILE 47 1.478 0.848 1.058 376 HG21 ILE 47 1HG2 ILE 47 3.808 3.608 1.497 377 HG22 ILE 47 2HG2 ILE 47 4.317 3.228 3.143 378 HG23 ILE 47 3HG2 ILE 47 2.718 3.913 2.850 379 HD11 ILE 47 3HD1 ILE 47 0.032 2.974 0.846 380 HD12 ILE 47 1HD1 ILE 47 1.022 3.617 2.157 381 HD13 ILE 47 2HD1 ILE 47 0.056 2.164 2.413 382 H TYR 48 H TYR 48 3.551 -0.819 0.037 383 HA TYR 48 HA TYR 48 4.803 0.927 -2.003 384 HB2 TYR 48 2HB TYR 48 4.474 -1.802 -2.908 385 HB3 TYR 48 1HB TYR 48 5.918 -0.823 -2.879 386 HD1 TYR 48 2HD TYR 48 6.070 -0.485 0.233 387 HD2 TYR 48 1HD TYR 48 5.330 -3.817 -2.305 388 HE1 TYR 48 2HE TYR 48 6.954 -1.980 1.980 389 HE2 TYR 48 1HE TYR 48 6.220 -5.350 -0.569 390 HH TYR 48 HH TYR 48 7.187 -4.117 2.618 391 H PHE 49 H PHE 49 3.842 1.171 -4.002 392 HA PHE 49 HA PHE 49 1.042 0.196 -4.234 393 HB2 PHE 49 2HB PHE 49 1.932 2.862 -4.234 394 HB3 PHE 49 1HB PHE 49 1.708 2.471 -5.936 395 HD1 PHE 49 1HD PHE 49 -0.548 1.827 -6.832 396 HD2 PHE 49 2HD PHE 49 0.067 2.916 -2.696 397 HE1 PHE 49 1HE PHE 49 -2.983 2.162 -6.536 398 HE2 PHE 49 2HE PHE 49 -2.377 3.224 -2.422 399 HZ PHE 49 HZ PHE 49 -3.898 2.847 -4.341 400 H VAL 50 H VAL 50 0.515 -0.717 -6.251 401 HA VAL 50 HA VAL 50 2.789 -1.179 -8.032 402 HB VAL 50 HB VAL 50 0.601 -2.764 -7.023 403 HG11 VAL 50 1HG1 VAL 50 -0.283 -2.194 -9.245 404 HG12 VAL 50 2HG1 VAL 50 0.028 -3.913 -9.069 405 HG13 VAL 50 3HG1 VAL 50 1.140 -2.897 -9.991 406 HG21 VAL 50 3HG2 VAL 50 2.094 -4.582 -7.605 407 HG22 VAL 50 1HG2 VAL 50 3.052 -3.270 -6.920 408 HG23 VAL 50 2HG2 VAL 50 3.029 -3.527 -8.665 409 H CYS 51 H CYS 51 2.813 -0.298 -10.028 410 HA CYS 51 HA CYS 51 0.440 1.273 -10.785 411 HB2 CYS 51 2HB CYS 51 1.852 2.720 -11.933 412 HB3 CYS 51 1HB CYS 51 2.871 2.225 -10.582 413 HG CYS 51 HG CYS 51 3.246 0.380 -12.965 414 H SER 52 H SER 52 2.528 -1.326 -11.838 415 HA SER 52 HA SER 52 0.591 -2.190 -13.787 416 HB2 SER 52 2HB SER 52 1.541 -1.495 -15.710 417 HB3 SER 52 1HB SER 52 2.423 -0.342 -14.714 418 HG SER 52 HG SER 52 3.557 -2.014 -16.181 419 H GLY 53 H GLY 53 0.918 -4.326 -14.423 420 HA2 GLY 53 2HA GLY 53 2.405 -6.252 -14.670 421 HA3 GLY 53 1HA GLY 53 3.253 -5.696 -13.231 422 H SER 54 H SER 54 2.856 -7.869 -12.341 423 HA SER 54 HA SER 54 0.318 -7.906 -10.895 424 HB2 SER 54 2HB SER 54 0.929 -10.503 -12.168 425 HB3 SER 54 1HB SER 54 -0.625 -9.740 -11.840 426 HG SER 54 HG SER 54 0.408 -9.906 -14.135 427 H MET 55 H MET 55 0.363 -9.066 -8.996 428 HA MET 55 HA MET 55 2.551 -10.841 -8.370 429 HB2 MET 55 2HB MET 55 3.455 -9.560 -6.516 430 HB3 MET 55 1HB MET 55 3.585 -8.616 -8.001 431 HG2 MET 55 2HG MET 55 2.510 -6.968 -6.913 432 HG3 MET 55 1HG MET 55 1.061 -7.969 -7.006 433 HE1 MET 55 3HE MET 55 3.731 -7.011 -3.482 434 HE2 MET 55 1HE MET 55 3.000 -5.897 -4.644 435 HE3 MET 55 2HE MET 55 4.221 -7.052 -5.174 436 H GLU 56 H GLU 56 2.377 -11.627 -6.058 437 HA GLU 56 HA GLU 56 -0.150 -11.242 -4.732 438 HB2 GLU 56 2HB GLU 56 -0.768 -13.710 -5.020 439 HB3 GLU 56 1HB GLU 56 -1.056 -12.644 -6.393 440 HG2 GLU 56 2HG GLU 56 0.030 -14.733 -7.123 441 HG3 GLU 56 1HG GLU 56 1.085 -13.350 -7.415 442 H VAL 57 H VAL 57 -0.356 -12.506 -2.775 443 HA VAL 57 HA VAL 57 2.259 -13.191 -1.655 444 HB VAL 57 HB VAL 57 1.554 -12.308 0.259 445 HG11 VAL 57 1HG1 VAL 57 0.597 -10.625 -1.156 446 HG12 VAL 57 2HG1 VAL 57 -0.566 -10.939 0.133 447 HG13 VAL 57 3HG1 VAL 57 -0.824 -11.616 -1.473 448 HG21 VAL 57 3HG2 VAL 57 -1.021 -13.852 -0.130 449 HG22 VAL 57 1HG2 VAL 57 -0.556 -12.991 1.333 450 HG23 VAL 57 2HG2 VAL 57 0.383 -14.381 0.803 451 H LEU 58 H LEU 58 2.864 -15.212 -1.340 452 HA LEU 58 HA LEU 58 0.900 -17.351 -1.783 453 HB2 LEU 58 2HB LEU 58 3.568 -16.859 -2.678 454 HB3 LEU 58 1HB LEU 58 3.539 -18.371 -1.777 455 HG LEU 58 HG LEU 58 1.791 -17.624 -4.136 456 HD11 LEU 58 1HD1 LEU 58 3.042 -20.061 -4.585 457 HD12 LEU 58 2HD1 LEU 58 4.281 -19.111 -3.764 458 HD13 LEU 58 3HD1 LEU 58 3.546 -18.507 -5.249 459 HD21 LEU 58 3HD2 LEU 58 1.349 -20.287 -3.626 460 HD22 LEU 58 1HD2 LEU 58 0.271 -18.986 -3.118 461 HD23 LEU 58 2HD2 LEU 58 1.469 -19.632 -1.994 462 H LYS 59 H LYS 59 0.210 -18.533 -0.153 463 HA LYS 59 HA LYS 59 1.980 -19.607 1.807 464 HB2 LYS 59 2HB LYS 59 0.759 -17.127 2.467 465 HB3 LYS 59 1HB LYS 59 -0.008 -18.365 3.447 466 HG2 LYS 59 2HG LYS 59 2.943 -17.757 3.269 467 HG3 LYS 59 1HG LYS 59 1.888 -17.592 4.671 468 HD2 LYS 59 2HD LYS 59 2.455 -19.668 5.279 469 HD3 LYS 59 1HD LYS 59 1.597 -20.258 3.865 470 HE2 LYS 59 2HE LYS 59 3.652 -21.144 3.361 471 HE3 LYS 59 1HE LYS 59 3.940 -19.538 2.696 472 HZ1 LYS 59 3HZ LYS 59 5.223 -20.800 4.855 473 HZ2 LYS 59 1HZ LYS 59 4.439 -19.409 5.428 474 HZ3 LYS 59 2HZ LYS 59 5.559 -19.287 4.157 475 H ASP 60 H ASP 60 1.113 -21.397 2.833 476 HA ASP 60 HA ASP 60 -0.238 -23.208 3.113 477 HB2 ASP 60 2HB ASP 60 -2.313 -22.784 3.947 478 HB3 ASP 60 1HB ASP 60 -1.675 -21.145 3.991 479 H ASN 61 H ASN 61 0.779 -22.996 0.593 480 HA ASN 61 HA ASN 61 0.573 -23.996 -1.461 481 HB2 ASN 61 2HB ASN 61 -0.866 -25.568 0.131 482 HB3 ASN 61 1HB ASN 61 -2.176 -24.972 -0.886 483 HD21 ASN 61 1HD2 ASN 61 -2.283 -27.270 -1.725 484 HD22 ASN 61 2HD2 ASN 61 -1.187 -27.748 -2.930 485 H THR 62 H THR 62 -1.738 -21.729 -0.360 486 HA THR 62 HA THR 62 -2.442 -21.156 -3.170 487 HB THR 62 HB THR 62 -4.309 -20.681 -0.868 488 HG1 THR 62 1HG THR 62 -4.392 -22.803 -0.962 489 HG21 THR 62 3HG2 THR 62 -4.740 -20.775 -3.867 490 HG22 THR 62 1HG2 THR 62 -4.606 -19.286 -2.923 491 HG23 THR 62 2HG2 THR 62 -5.961 -20.390 -2.656 492 H VAL 63 H VAL 63 -2.887 -18.963 -3.640 493 HA VAL 63 HA VAL 63 -1.129 -17.167 -2.314 494 HB VAL 63 HB VAL 63 -2.825 -15.645 -3.893 495 HG11 VAL 63 1HG1 VAL 63 -0.286 -17.142 -4.587 496 HG12 VAL 63 2HG1 VAL 63 -0.383 -15.530 -3.881 497 HG13 VAL 63 3HG1 VAL 63 -0.953 -15.812 -5.526 498 HG21 VAL 63 3HG2 VAL 63 -3.868 -17.873 -4.532 499 HG22 VAL 63 1HG2 VAL 63 -2.306 -18.313 -5.215 500 HG23 VAL 63 2HG2 VAL 63 -3.208 -16.955 -5.888 501 H LEU 64 H LEU 64 -1.532 -15.965 -0.552 502 HA LEU 64 HA LEU 64 -4.146 -16.036 0.641 503 HB2 LEU 64 2HB LEU 64 -1.477 -15.297 1.462 504 HB3 LEU 64 1HB LEU 64 -2.620 -14.041 1.922 505 HG LEU 64 HG LEU 64 -4.085 -16.006 2.798 506 HD11 LEU 64 1HD1 LEU 64 -2.355 -17.824 3.645 507 HD12 LEU 64 2HD1 LEU 64 -1.440 -17.306 2.229 508 HD13 LEU 64 3HD1 LEU 64 -3.069 -17.957 2.038 509 HD21 LEU 64 3HD2 LEU 64 -3.199 -14.539 4.415 510 HD22 LEU 64 1HD2 LEU 64 -1.534 -14.973 4.029 511 HD23 LEU 64 2HD2 LEU 64 -2.559 -16.109 4.907 512 H ALA 65 H ALA 65 -2.571 -14.098 -1.672 513 HA ALA 65 HA ALA 65 -4.906 -12.385 -1.820 514 HB1 ALA 65 1HB ALA 65 -4.103 -10.556 -0.820 515 HB2 ALA 65 2HB ALA 65 -2.686 -10.576 -1.867 516 HB3 ALA 65 3HB ALA 65 -2.671 -11.466 -0.343 517 H ILE 66 H ILE 66 -5.311 -11.821 -3.856 518 HA ILE 66 HA ILE 66 -3.164 -12.207 -5.854 519 HB ILE 66 HB ILE 66 -6.111 -12.843 -5.980 520 HG12 ILE 66 2HG1 ILE 66 -4.938 -14.989 -6.966 521 HG13 ILE 66 1HG1 ILE 66 -3.518 -14.357 -6.132 522 HG21 ILE 66 1HG2 ILE 66 -5.694 -11.722 -8.045 523 HG22 ILE 66 2HG2 ILE 66 -5.557 -13.443 -8.407 524 HG23 ILE 66 3HG2 ILE 66 -4.103 -12.465 -8.211 525 HD11 ILE 66 3HD1 ILE 66 -4.765 -14.290 -4.019 526 HD12 ILE 66 1HD1 ILE 66 -4.806 -15.915 -4.694 527 HD13 ILE 66 2HD1 ILE 66 -6.215 -14.865 -4.840 528 H LEU 67 H LEU 67 -2.527 -10.126 -6.423 529 HA LEU 67 HA LEU 67 -4.703 -8.275 -7.149 530 HB2 LEU 67 2HB LEU 67 -2.785 -6.548 -6.320 531 HB3 LEU 67 1HB LEU 67 -4.147 -7.067 -5.335 532 HG LEU 67 HG LEU 67 -2.683 -8.991 -4.544 533 HD11 LEU 67 1HD1 LEU 67 -1.118 -8.325 -6.626 534 HD12 LEU 67 2HD1 LEU 67 -0.488 -9.141 -5.195 535 HD13 LEU 67 3HD1 LEU 67 -0.311 -7.395 -5.366 536 HD21 LEU 67 3HD2 LEU 67 -2.138 -7.700 -2.756 537 HD22 LEU 67 1HD2 LEU 67 -2.906 -6.384 -3.645 538 HD23 LEU 67 2HD2 LEU 67 -1.159 -6.609 -3.737 539 H GLY 68 H GLY 68 -4.039 -6.481 -8.560 540 HA2 GLY 68 2HA GLY 68 -1.749 -7.179 -10.291 541 HA3 GLY 68 1HA GLY 68 -3.328 -6.831 -10.984 542 H LYS 69 H LYS 69 -2.478 -5.090 -12.172 543 HA LYS 69 HA LYS 69 -0.926 -2.990 -11.358 544 HB2 LYS 69 2HB LYS 69 -3.288 -2.659 -13.192 545 HB3 LYS 69 1HB LYS 69 -1.736 -1.840 -13.240 546 HG2 LYS 69 2HG LYS 69 -0.634 -4.035 -13.710 547 HG3 LYS 69 1HG LYS 69 -2.235 -4.769 -13.804 548 HD2 LYS 69 2HD LYS 69 -2.834 -3.444 -15.704 549 HD3 LYS 69 1HD LYS 69 -1.425 -2.403 -15.504 550 HE2 LYS 69 2HE LYS 69 -0.892 -3.915 -17.285 551 HE3 LYS 69 1HE LYS 69 0.009 -4.473 -15.875 552 HZ1 LYS 69 3HZ LYS 69 -2.084 -5.775 -17.329 553 HZ2 LYS 69 1HZ LYS 69 -2.397 -5.728 -15.663 554 HZ3 LYS 69 2HZ LYS 69 -0.958 -6.425 -16.236 555 H GLY 70 H GLY 70 -1.148 -1.177 -10.237 556 HA2 GLY 70 2HA GLY 70 -2.159 0.639 -9.207 557 HA3 GLY 70 1HA GLY 70 -3.726 -0.034 -9.586 558 H ASP 71 H ASP 71 -2.711 -2.671 -8.361 559 HA ASP 71 HA ASP 71 -3.974 -2.512 -5.924 560 HB2 ASP 71 2HB ASP 71 -3.040 -4.589 -5.391 561 HB3 ASP 71 1HB ASP 71 -3.039 -4.570 -7.155 562 H LEU 72 H LEU 72 -2.869 -2.839 -3.729 563 HA LEU 72 HA LEU 72 -0.460 -1.193 -3.446 564 HB2 LEU 72 2HB LEU 72 -2.052 0.500 -3.133 565 HB3 LEU 72 1HB LEU 72 -3.165 -0.571 -2.289 566 HG LEU 72 HG LEU 72 -1.514 -0.714 -0.413 567 HD11 LEU 72 1HD1 LEU 72 0.582 -0.031 -0.733 568 HD12 LEU 72 2HD1 LEU 72 -0.010 1.626 -0.897 569 HD13 LEU 72 3HD1 LEU 72 0.152 0.605 -2.323 570 HD21 LEU 72 3HD2 LEU 72 -1.755 2.084 -0.240 571 HD22 LEU 72 1HD2 LEU 72 -2.874 0.883 0.405 572 HD23 LEU 72 2HD2 LEU 72 -3.128 1.549 -1.208 573 H ILE 73 H ILE 73 0.818 -1.755 -1.802 574 HA ILE 73 HA ILE 73 0.031 -4.072 -0.179 575 HB ILE 73 HB ILE 73 2.563 -3.162 -1.394 576 HG12 ILE 73 2HG1 ILE 73 1.137 -5.086 -2.209 577 HG13 ILE 73 1HG1 ILE 73 2.817 -5.501 -1.854 578 HG21 ILE 73 1HG2 ILE 73 3.069 -3.084 0.980 579 HG22 ILE 73 2HG2 ILE 73 3.867 -4.467 0.244 580 HG23 ILE 73 3HG2 ILE 73 2.407 -4.694 1.205 581 HD11 ILE 73 3HD1 ILE 73 0.494 -6.684 -0.752 582 HD12 ILE 73 1HD1 ILE 73 1.220 -5.730 0.545 583 HD13 ILE 73 2HD1 ILE 73 2.167 -6.974 -0.276 584 H GLY 74 H GLY 74 0.145 -4.070 1.973 585 HA2 GLY 74 2HA GLY 74 1.299 -3.097 3.963 586 HA3 GLY 74 1HA GLY 74 0.877 -1.526 3.291 587 H SER 75 H SER 75 0.166 -2.831 5.853 588 HA SER 75 HA SER 75 -2.655 -3.418 5.754 589 HB2 SER 75 2HB SER 75 -1.859 -2.762 8.400 590 HB3 SER 75 1HB SER 75 -2.154 -4.362 7.725 591 HG SER 75 HG SER 75 0.238 -3.206 6.987 592 H ASP 76 H ASP 76 -4.329 -2.171 6.675 593 HA ASP 76 HA ASP 76 -4.078 0.660 6.215 594 HB2 ASP 76 2HB ASP 76 -6.162 -1.161 6.166 595 HB3 ASP 76 1HB ASP 76 -6.489 -0.213 7.616 596 H SER 77 H SER 77 -5.579 1.868 8.120 597 HA SER 77 HA SER 77 -5.459 2.830 10.203 598 HB2 SER 77 2HB SER 77 -5.305 1.393 12.072 599 HB3 SER 77 1HB SER 77 -6.001 0.387 10.804 600 HG SER 77 HG SER 77 -4.370 -0.848 11.392 601 H LEU 78 H LEU 78 -3.325 3.298 8.462 602 HA LEU 78 HA LEU 78 -0.754 2.836 9.341 603 HB2 LEU 78 2HB LEU 78 -2.080 5.013 7.818 604 HB3 LEU 78 1HB LEU 78 -0.482 5.366 8.476 605 HG LEU 78 HG LEU 78 0.399 3.311 7.415 606 HD11 LEU 78 1HD1 LEU 78 -2.461 2.874 6.980 607 HD12 LEU 78 2HD1 LEU 78 -1.134 1.715 6.955 608 HD13 LEU 78 3HD1 LEU 78 -1.511 2.652 5.512 609 HD21 LEU 78 3HD2 LEU 78 -0.975 5.423 5.755 610 HD22 LEU 78 1HD2 LEU 78 -0.087 4.111 4.971 611 HD23 LEU 78 2HD2 LEU 78 0.748 5.199 6.074 612 H THR 79 H THR 79 -3.168 4.987 10.682 613 HA THR 79 HA THR 79 -1.489 6.598 12.277 614 HB THR 79 HB THR 79 -4.305 5.745 12.971 615 HG1 THR 79 1HG THR 79 -4.904 6.771 11.263 616 HG21 THR 79 3HG2 THR 79 -4.054 8.377 13.588 617 HG22 THR 79 1HG2 THR 79 -2.398 7.831 13.851 618 HG23 THR 79 2HG2 THR 79 -3.727 7.075 14.731 619 H LYS 80 H LYS 80 -2.529 3.321 12.584 620 HA LYS 80 HA LYS 80 -2.016 3.137 15.427 621 HB2 LYS 80 2HB LYS 80 -3.684 1.730 14.053 622 HB3 LYS 80 1HB LYS 80 -2.273 0.806 13.539 623 HG2 LYS 80 2HG LYS 80 -1.712 0.668 16.067 624 HG3 LYS 80 1HG LYS 80 -3.393 1.131 16.317 625 HD2 LYS 80 2HD LYS 80 -4.212 -0.814 15.255 626 HD3 LYS 80 1HD LYS 80 -2.664 -1.146 14.478 627 HE2 LYS 80 2HE LYS 80 -2.080 -2.452 16.212 628 HE3 LYS 80 1HE LYS 80 -2.209 -1.067 17.294 629 HZ1 LYS 80 3HZ LYS 80 -4.436 -2.856 16.480 630 HZ2 LYS 80 1HZ LYS 80 -4.586 -1.500 17.489 631 HZ3 LYS 80 2HZ LYS 80 -3.671 -2.838 17.997 632 H GLU 81 H GLU 81 0.157 4.073 13.659 633 HA GLU 81 HA GLU 81 2.174 2.632 12.846 634 HB2 GLU 81 2HB GLU 81 2.499 4.558 15.161 635 HB3 GLU 81 1HB GLU 81 3.786 4.025 14.080 636 HG2 GLU 81 2HG GLU 81 1.307 5.193 12.876 637 HG3 GLU 81 1HG GLU 81 2.478 6.284 13.613 638 H GLN 82 H GLN 82 2.074 0.457 13.416 639 HA GLN 82 HA GLN 82 3.265 -0.168 16.037 640 HB2 GLN 82 2HB GLN 82 0.625 -0.934 15.094 641 HB3 GLN 82 1HB GLN 82 1.624 -2.343 15.438 642 HG2 GLN 82 2HG GLN 82 0.291 -1.440 17.403 643 HG3 GLN 82 1HG GLN 82 2.018 -1.660 17.668 644 HE21 GLN 82 1HE2 GLN 82 -0.517 0.776 17.229 645 HE22 GLN 82 2HE2 GLN 82 0.428 2.098 17.714 646 H VAL 83 H VAL 83 3.984 -2.564 16.032 647 HA VAL 83 HA VAL 83 5.822 -2.877 13.883 648 HB VAL 83 HB VAL 83 6.607 -3.709 15.922 649 HG11 VAL 83 1HG1 VAL 83 3.819 -4.306 16.282 650 HG12 VAL 83 2HG1 VAL 83 5.084 -4.193 17.505 651 HG13 VAL 83 3HG1 VAL 83 4.778 -5.728 16.689 652 HG21 VAL 83 3HG2 VAL 83 7.097 -5.981 15.459 653 HG22 VAL 83 1HG2 VAL 83 6.779 -5.288 13.868 654 HG23 VAL 83 2HG2 VAL 83 5.538 -6.246 14.676 655 H ILE 84 H ILE 84 5.466 -3.729 11.956 656 HA ILE 84 HA ILE 84 3.279 -5.701 11.667 657 HB ILE 84 HB ILE 84 3.740 -4.565 9.151 658 HG12 ILE 84 2HG1 ILE 84 3.391 -2.342 11.172 659 HG13 ILE 84 1HG1 ILE 84 4.978 -2.780 10.541 660 HG21 ILE 84 1HG2 ILE 84 1.546 -5.163 9.760 661 HG22 ILE 84 2HG2 ILE 84 1.491 -3.401 9.753 662 HG23 ILE 84 3HG2 ILE 84 1.626 -4.272 11.280 663 HD11 ILE 84 3HD1 ILE 84 3.867 -2.560 8.202 664 HD12 ILE 84 1HD1 ILE 84 4.263 -1.080 9.074 665 HD13 ILE 84 2HD1 ILE 84 2.603 -1.673 9.052 666 H LYS 85 H LYS 85 3.963 -7.643 11.141 667 HA LYS 85 HA LYS 85 6.455 -7.889 9.567 668 HB2 LYS 85 2HB LYS 85 6.353 -10.271 10.809 669 HB3 LYS 85 1HB LYS 85 7.174 -8.877 11.501 670 HG2 LYS 85 2HG LYS 85 5.192 -8.292 12.792 671 HG3 LYS 85 1HG LYS 85 4.305 -9.618 12.052 672 HD2 LYS 85 2HD LYS 85 6.812 -9.959 13.715 673 HD3 LYS 85 1HD LYS 85 5.175 -10.197 14.321 674 HE2 LYS 85 2HE LYS 85 6.771 -11.892 12.474 675 HE3 LYS 85 1HE LYS 85 5.613 -12.355 13.720 676 HZ1 LYS 85 3HZ LYS 85 4.630 -12.825 11.636 677 HZ2 LYS 85 1HZ LYS 85 5.023 -11.298 11.015 678 HZ3 LYS 85 2HZ LYS 85 3.850 -11.441 12.235 679 H THR 86 H THR 86 6.396 -9.210 7.812 680 HA THR 86 HA THR 86 3.787 -10.030 6.880 681 HB THR 86 HB THR 86 6.435 -10.606 5.553 682 HG1 THR 86 1HG THR 86 6.589 -8.569 5.125 683 HG21 THR 86 3HG2 THR 86 4.949 -11.626 4.170 684 HG22 THR 86 1HG2 THR 86 4.594 -9.985 3.633 685 HG23 THR 86 2HG2 THR 86 3.573 -10.757 4.845 686 H ASN 87 H ASN 87 2.885 -11.901 7.403 687 HA ASN 87 HA ASN 87 4.473 -14.081 8.479 688 HB2 ASN 87 2HB ASN 87 2.030 -13.217 9.119 689 HB3 ASN 87 1HB ASN 87 1.570 -14.402 7.896 690 HD21 ASN 87 1HD2 ASN 87 0.953 -16.260 9.021 691 HD22 ASN 87 2HD2 ASN 87 1.841 -16.963 10.285 692 H ALA 88 H ALA 88 2.717 -13.323 5.528 693 HA ALA 88 HA ALA 88 3.206 -15.988 4.448 694 HB1 ALA 88 1HB ALA 88 1.088 -15.404 3.754 695 HB2 ALA 88 2HB ALA 88 2.019 -14.751 2.403 696 HB3 ALA 88 3HB ALA 88 1.475 -13.683 3.697 697 H ASN 89 H ASN 89 3.593 -15.569 1.825 698 HA ASN 89 HA ASN 89 6.139 -14.058 1.732 699 HB2 ASN 89 2HB ASN 89 5.295 -16.636 0.386 700 HB3 ASN 89 1HB ASN 89 6.662 -15.686 -0.191 701 HD21 ASN 89 1HD2 ASN 89 5.543 -16.476 3.148 702 HD22 ASN 89 2HD2 ASN 89 7.026 -17.137 3.637 703 H VAL 90 H VAL 90 6.644 -13.257 -0.543 704 HA VAL 90 HA VAL 90 4.228 -12.626 -2.063 705 HB VAL 90 HB VAL 90 6.174 -10.796 -0.775 706 HG11 VAL 90 1HG1 VAL 90 6.560 -10.455 -3.128 707 HG12 VAL 90 2HG1 VAL 90 5.684 -9.073 -2.472 708 HG13 VAL 90 3HG1 VAL 90 4.836 -10.287 -3.436 709 HG21 VAL 90 3HG2 VAL 90 3.705 -11.206 -0.122 710 HG22 VAL 90 1HG2 VAL 90 3.305 -10.308 -1.587 711 HG23 VAL 90 2HG2 VAL 90 4.222 -9.529 -0.298 712 H LYS 91 H LYS 91 4.446 -12.892 -4.165 713 HA LYS 91 HA LYS 91 7.130 -12.885 -5.329 714 HB2 LYS 91 2HB LYS 91 6.784 -15.219 -4.906 715 HB3 LYS 91 1HB LYS 91 5.139 -15.146 -5.536 716 HG2 LYS 91 2HG LYS 91 5.926 -14.741 -7.772 717 HG3 LYS 91 1HG LYS 91 7.581 -14.504 -7.208 718 HD2 LYS 91 2HD LYS 91 7.652 -16.714 -7.968 719 HD3 LYS 91 1HD LYS 91 7.313 -16.933 -6.252 720 HE2 LYS 91 2HE LYS 91 5.678 -18.293 -7.190 721 HE3 LYS 91 1HE LYS 91 4.797 -16.772 -7.045 722 HZ1 LYS 91 3HZ LYS 91 5.172 -18.202 -9.336 723 HZ2 LYS 91 1HZ LYS 91 6.293 -16.938 -9.475 724 HZ3 LYS 91 2HZ LYS 91 4.647 -16.589 -9.239 725 H ALA 92 H ALA 92 7.091 -11.509 -6.977 726 HA ALA 92 HA ALA 92 4.688 -10.505 -8.115 727 HB1 ALA 92 1HB ALA 92 7.606 -10.214 -8.643 728 HB2 ALA 92 2HB ALA 92 6.374 -8.976 -8.408 729 HB3 ALA 92 3HB ALA 92 6.504 -9.806 -9.958 730 H LEU 93 H LEU 93 3.411 -11.521 -9.526 731 HA LEU 93 HA LEU 93 4.125 -14.002 -10.729 732 HB2 LEU 93 2HB LEU 93 1.747 -12.349 -10.460 733 HB3 LEU 93 1HB LEU 93 1.877 -13.045 -12.075 734 HG LEU 93 HG LEU 93 2.014 -15.274 -11.201 735 HD11 LEU 93 1HD1 LEU 93 2.781 -13.830 -8.746 736 HD12 LEU 93 2HD1 LEU 93 3.247 -15.440 -9.298 737 HD13 LEU 93 3HD1 LEU 93 1.704 -15.201 -8.475 738 HD21 LEU 93 3HD2 LEU 93 -0.246 -14.055 -11.185 739 HD22 LEU 93 1HD2 LEU 93 -0.028 -13.898 -9.442 740 HD23 LEU 93 2HD2 LEU 93 -0.131 -15.498 -10.178 741 H THR 94 H THR 94 3.598 -10.720 -11.945 742 HA THR 94 HA THR 94 5.199 -11.401 -14.330 743 HB THR 94 HB THR 94 3.740 -9.823 -15.616 744 HG1 THR 94 1HG THR 94 2.513 -8.648 -14.398 745 HG21 THR 94 3HG2 THR 94 2.475 -12.257 -14.337 746 HG22 THR 94 1HG2 THR 94 3.345 -12.183 -15.870 747 HG23 THR 94 2HG2 THR 94 1.771 -11.403 -15.710 748 H TYR 95 H TYR 95 6.499 -9.684 -15.125 749 HA TYR 95 HA TYR 95 7.806 -8.129 -13.286 750 HB2 TYR 95 2HB TYR 95 7.756 -6.601 -15.676 751 HB3 TYR 95 1HB TYR 95 9.008 -7.691 -15.113 752 HD1 TYR 95 1HD TYR 95 5.553 -8.224 -16.288 753 HD2 TYR 95 2HD TYR 95 9.692 -9.103 -16.858 754 HE1 TYR 95 1HE TYR 95 4.948 -9.795 -18.120 755 HE2 TYR 95 2HE TYR 95 9.116 -10.677 -18.691 756 HH TYR 95 HH TYR 95 7.001 -12.083 -19.305 757 H CYS 96 H CYS 96 7.115 -6.600 -11.966 758 HA CYS 96 HA CYS 96 5.155 -4.641 -12.965 759 HB2 CYS 96 2HB CYS 96 3.791 -4.824 -11.066 760 HB3 CYS 96 1HB CYS 96 4.187 -6.499 -11.436 761 HG CYS 96 HG CYS 96 5.556 -4.857 -9.154 762 H ASP 97 H ASP 97 5.370 -2.586 -12.193 763 HA ASP 97 HA ASP 97 7.879 -2.026 -10.753 764 HB2 ASP 97 2HB ASP 97 7.929 -0.745 -12.693 765 HB3 ASP 97 1HB ASP 97 6.187 -0.479 -12.686 766 H LEU 98 H LEU 98 7.799 -1.328 -8.696 767 HA LEU 98 HA LEU 98 5.228 -0.254 -7.711 768 HB2 LEU 98 2HB LEU 98 7.024 -1.826 -5.908 769 HB3 LEU 98 1HB LEU 98 5.291 -1.554 -5.800 770 HG LEU 98 HG LEU 98 5.123 -2.913 -7.991 771 HD11 LEU 98 1HD1 LEU 98 7.212 -3.286 -8.852 772 HD12 LEU 98 2HD1 LEU 98 7.175 -4.669 -7.760 773 HD13 LEU 98 3HD1 LEU 98 7.994 -3.185 -7.275 774 HD21 LEU 98 3HD2 LEU 98 4.729 -4.849 -6.748 775 HD22 LEU 98 1HD2 LEU 98 4.687 -3.624 -5.482 776 HD23 LEU 98 2HD2 LEU 98 6.139 -4.597 -5.719 777 H GLN 99 H GLN 99 5.330 1.256 -6.057 778 HA GLN 99 HA GLN 99 7.998 2.416 -5.536 779 HB2 GLN 99 2HB GLN 99 7.105 4.621 -5.701 780 HB3 GLN 99 1HB GLN 99 6.521 3.767 -7.129 781 HG2 GLN 99 2HG GLN 99 4.462 3.178 -5.639 782 HG3 GLN 99 1HG GLN 99 5.011 4.519 -4.637 783 HE21 GLN 99 1HE2 GLN 99 3.272 5.962 -5.198 784 HE22 GLN 99 2HE2 GLN 99 3.085 6.590 -6.764 785 H TYR 100 H TYR 100 8.435 2.732 -3.409 786 HA TYR 100 HA TYR 100 6.196 2.805 -1.540 787 HB2 TYR 100 2HB TYR 100 7.141 1.213 -0.028 788 HB3 TYR 100 1HB TYR 100 6.902 0.418 -1.582 789 HD1 TYR 100 2HD TYR 100 9.602 2.357 -2.362 790 HD2 TYR 100 1HD TYR 100 8.606 -0.884 0.273 791 HE1 TYR 100 2HE TYR 100 11.976 1.670 -2.305 792 HE2 TYR 100 1HE TYR 100 10.981 -1.564 0.326 793 HH TYR 100 HH TYR 100 13.006 -1.249 -0.572 794 H ILE 101 H ILE 101 6.943 3.213 0.706 795 HA ILE 101 HA ILE 101 9.406 4.725 0.939 796 HB ILE 101 HB ILE 101 8.488 6.748 0.601 797 HG12 ILE 101 2HG1 ILE 101 8.062 6.577 3.107 798 HG13 ILE 101 1HG1 ILE 101 6.989 7.672 2.241 799 HG21 ILE 101 1HG2 ILE 101 5.942 5.150 0.471 800 HG22 ILE 101 2HG2 ILE 101 6.898 5.744 -0.892 801 HG23 ILE 101 3HG2 ILE 101 5.998 6.878 0.120 802 HD11 ILE 101 3HD1 ILE 101 6.181 5.561 3.877 803 HD12 ILE 101 1HD1 ILE 101 5.968 4.938 2.242 804 HD13 ILE 101 2HD1 ILE 101 5.162 6.424 2.725 805 H SER 102 H SER 102 9.877 5.262 3.192 806 HA SER 102 HA SER 102 8.912 3.199 4.952 807 HB2 SER 102 2HB SER 102 10.498 4.029 6.525 808 HB3 SER 102 1HB SER 102 11.264 4.164 4.945 809 HG SER 102 HG SER 102 9.795 6.358 5.497 810 H LEU 103 H LEU 103 7.182 3.311 6.213 811 HA LEU 103 HA LEU 103 5.307 5.321 6.216 812 HB2 LEU 103 2HB LEU 103 5.627 2.872 7.527 813 HB3 LEU 103 1HB LEU 103 5.420 4.048 8.824 814 HG LEU 103 HG LEU 103 3.237 3.180 8.072 815 HD11 LEU 103 1HD1 LEU 103 3.806 5.725 8.640 816 HD12 LEU 103 2HD1 LEU 103 2.190 5.242 8.126 817 HD13 LEU 103 3HD1 LEU 103 3.308 5.957 6.965 818 HD21 LEU 103 3HD2 LEU 103 2.698 2.950 5.881 819 HD22 LEU 103 1HD2 LEU 103 4.410 3.221 5.559 820 HD23 LEU 103 2HD2 LEU 103 3.276 4.569 5.490 821 H LYS 104 H LYS 104 8.162 4.992 8.258 822 HA LYS 104 HA LYS 104 7.531 7.131 10.038 823 HB2 LYS 104 2HB LYS 104 10.357 6.388 9.371 824 HB3 LYS 104 1HB LYS 104 9.652 6.803 10.932 825 HG2 LYS 104 2HG LYS 104 8.378 4.660 10.889 826 HG3 LYS 104 1HG LYS 104 9.188 4.239 9.380 827 HD2 LYS 104 2HD LYS 104 10.792 3.305 10.673 828 HD3 LYS 104 1HD LYS 104 11.288 4.956 11.042 829 HE2 LYS 104 2HE LYS 104 9.816 4.996 12.996 830 HE3 LYS 104 1HE LYS 104 9.225 3.380 12.608 831 HZ1 LYS 104 3HZ LYS 104 11.154 3.715 14.309 832 HZ2 LYS 104 1HZ LYS 104 12.113 3.797 12.914 833 HZ3 LYS 104 2HZ LYS 104 11.183 2.410 13.223 834 H GLY 105 H GLY 105 9.262 6.866 6.984 835 HA2 GLY 105 2HA GLY 105 10.330 9.485 6.872 836 HA3 GLY 105 1HA GLY 105 10.037 8.425 5.500 837 H LEU 106 H LEU 106 7.338 8.074 5.575 838 HA LEU 106 HA LEU 106 6.426 10.394 4.272 839 HB2 LEU 106 2HB LEU 106 5.490 8.335 3.617 840 HB3 LEU 106 1HB LEU 106 5.008 7.934 5.261 841 HG LEU 106 HG LEU 106 3.944 10.487 4.200 842 HD11 LEU 106 1HD1 LEU 106 3.857 8.834 2.254 843 HD12 LEU 106 2HD1 LEU 106 2.306 9.499 2.763 844 HD13 LEU 106 3HD1 LEU 106 2.767 7.867 3.246 845 HD21 LEU 106 3HD2 LEU 106 1.859 9.465 5.258 846 HD22 LEU 106 1HD2 LEU 106 3.203 9.748 6.360 847 HD23 LEU 106 2HD2 LEU 106 2.883 8.121 5.763 848 H ARG 107 H ARG 107 5.716 9.129 7.518 849 HA ARG 107 HA ARG 107 3.782 11.122 8.058 850 HB2 ARG 107 2HB ARG 107 3.810 8.981 9.261 851 HB3 ARG 107 1HB ARG 107 5.323 9.438 10.019 852 HG2 ARG 107 2HG ARG 107 3.629 9.972 11.608 853 HG3 ARG 107 1HG ARG 107 4.120 11.509 10.893 854 HD2 ARG 107 2HD ARG 107 1.892 11.784 10.536 855 HD3 ARG 107 1HD ARG 107 2.189 10.734 9.153 856 HE ARG 107 HE ARG 107 0.993 9.066 10.233 857 HH11 ARG 107 1HH2 ARG 107 1.961 11.536 12.454 858 HH12 ARG 107 2HH2 ARG 107 1.056 10.889 13.781 859 HH21 ARG 107 1HH1 ARG 107 -0.198 8.212 11.973 860 HH22 ARG 107 2HH1 ARG 107 -0.165 9.010 13.510 861 H GLU 108 H GLU 108 7.222 11.082 8.425 862 HA GLU 108 HA GLU 108 7.427 13.239 10.282 863 HB2 GLU 108 2HB GLU 108 9.223 11.476 9.309 864 HB3 GLU 108 1HB GLU 108 9.593 12.864 8.284 865 HG2 GLU 108 2HG GLU 108 9.541 14.210 10.526 866 HG3 GLU 108 1HG GLU 108 9.763 12.631 11.277 867 H VAL 109 H VAL 109 7.815 13.018 6.794 868 HA VAL 109 HA VAL 109 8.103 15.739 6.187 869 HB VAL 109 HB VAL 109 7.070 14.917 3.931 870 HG11 VAL 109 1HG1 VAL 109 9.420 15.008 3.957 871 HG12 VAL 109 2HG1 VAL 109 9.131 13.278 3.717 872 HG13 VAL 109 3HG1 VAL 109 9.529 13.890 5.317 873 HG21 VAL 109 3HG2 VAL 109 7.233 12.358 3.867 874 HG22 VAL 109 1HG2 VAL 109 5.779 13.102 4.526 875 HG23 VAL 109 2HG2 VAL 109 6.998 12.441 5.605 876 H LEU 110 H LEU 110 5.268 13.658 6.380 877 HA LEU 110 HA LEU 110 3.349 15.663 5.830 878 HB2 LEU 110 2HB LEU 110 3.412 12.877 6.479 879 HB3 LEU 110 1HB LEU 110 2.212 13.642 7.472 880 HG LEU 110 HG LEU 110 1.138 14.606 5.502 881 HD11 LEU 110 1HD1 LEU 110 3.720 14.121 4.361 882 HD12 LEU 110 2HD1 LEU 110 2.388 15.061 3.698 883 HD13 LEU 110 3HD1 LEU 110 2.499 13.332 3.367 884 HD21 LEU 110 3HD2 LEU 110 0.317 12.609 4.496 885 HD22 LEU 110 1HD2 LEU 110 0.753 12.145 6.141 886 HD23 LEU 110 2HD2 LEU 110 1.822 11.745 4.796 887 H ARG 111 H ARG 111 5.133 14.739 8.672 888 HA ARG 111 HA ARG 111 3.536 15.891 10.676 889 HB2 ARG 111 2HB ARG 111 5.803 14.577 10.852 890 HB3 ARG 111 1HB ARG 111 6.529 16.177 10.713 891 HG2 ARG 111 2HG ARG 111 6.182 16.429 12.924 892 HG3 ARG 111 1HG ARG 111 4.455 16.496 12.571 893 HD2 ARG 111 2HD ARG 111 4.211 14.131 12.899 894 HD3 ARG 111 1HD ARG 111 5.955 13.897 12.956 895 HE ARG 111 HE ARG 111 5.939 14.628 15.175 896 HH11 ARG 111 1HH2 ARG 111 2.922 15.239 13.594 897 HH12 ARG 111 2HH2 ARG 111 2.090 15.674 15.049 898 HH21 ARG 111 1HH1 ARG 111 4.852 15.195 17.088 899 HH22 ARG 111 2HH1 ARG 111 3.182 15.649 17.027 900 H LEU 112 H LEU 112 5.756 17.209 8.306 901 HA LEU 112 HA LEU 112 5.852 19.880 9.260 902 HB2 LEU 112 2HB LEU 112 5.935 19.069 6.347 903 HB3 LEU 112 1HB LEU 112 6.723 20.449 7.114 904 HG LEU 112 HG LEU 112 7.367 17.597 7.881 905 HD11 LEU 112 1HD1 LEU 112 9.234 17.651 6.354 906 HD12 LEU 112 2HD1 LEU 112 8.895 19.325 5.918 907 HD13 LEU 112 3HD1 LEU 112 7.785 18.046 5.427 908 HD21 LEU 112 3HD2 LEU 112 8.543 20.326 8.369 909 HD22 LEU 112 1HD2 LEU 112 9.569 18.894 8.452 910 HD23 LEU 112 2HD2 LEU 112 8.185 19.052 9.534 911 H TYR 113 H TYR 113 3.601 17.999 7.380 912 HA TYR 113 HA TYR 113 1.733 20.313 7.306 913 HB2 TYR 113 2HB TYR 113 2.550 18.483 5.227 914 HB3 TYR 113 1HB TYR 113 0.817 18.328 5.518 915 HD1 TYR 113 1HD TYR 113 3.530 20.734 4.706 916 HD2 TYR 113 2HD TYR 113 -0.710 20.076 4.924 917 HE1 TYR 113 1HE TYR 113 3.138 22.860 3.491 918 HE2 TYR 113 2HE TYR 113 -1.102 22.203 3.709 919 HH TYR 113 HH TYR 113 0.087 24.336 3.309 920 HA PRO 114 HA PRO 114 0.112 17.278 10.375 921 HB2 PRO 114 2HB PRO 114 -1.263 19.670 11.401 922 HB3 PRO 114 1HB PRO 114 -0.179 18.544 12.234 923 HG2 PRO 114 2HG PRO 114 0.547 21.048 11.593 924 HG3 PRO 114 1HG PRO 114 1.694 19.699 11.643 925 HD2 PRO 114 2HD PRO 114 0.454 21.033 9.264 926 HD3 PRO 114 1HD PRO 114 2.087 20.361 9.463 927 H GLU 115 H GLU 115 -1.862 19.837 8.800 928 HA GLU 115 HA GLU 115 -4.354 18.616 9.347 929 HB2 GLU 115 2HB GLU 115 -3.472 20.567 7.220 930 HB3 GLU 115 1HB GLU 115 -5.143 20.023 7.375 931 HG2 GLU 115 2HG GLU 115 -5.482 21.514 9.019 932 HG3 GLU 115 1HG GLU 115 -4.212 20.751 9.976 933 H TYR 116 H TYR 116 -2.382 18.595 6.396 934 HA TYR 116 HA TYR 116 -4.039 16.723 5.024 935 HB2 TYR 116 2HB TYR 116 -1.398 18.015 4.591 936 HB3 TYR 116 1HB TYR 116 -1.718 16.524 3.712 937 HD1 TYR 116 1HD TYR 116 -3.347 19.786 4.570 938 HD2 TYR 116 2HD TYR 116 -2.913 16.618 1.702 939 HE1 TYR 116 1HE TYR 116 -4.776 21.036 2.976 940 HE2 TYR 116 2HE TYR 116 -4.342 17.870 0.107 941 HH TYR 116 HH TYR 116 -6.295 19.781 0.500 942 H ALA 117 H ALA 117 -1.228 16.512 7.084 943 HA ALA 117 HA ALA 117 -0.502 13.845 6.544 944 HB1 ALA 117 1HB ALA 117 1.068 15.234 7.608 945 HB2 ALA 117 2HB ALA 117 0.601 14.042 8.829 946 HB3 ALA 117 3HB ALA 117 -0.064 15.674 8.884 947 H GLN 118 H GLN 118 -2.236 15.111 9.391 948 HA GLN 118 HA GLN 118 -2.862 12.647 10.509 949 HB2 GLN 118 2HB GLN 118 -4.455 15.226 10.483 950 HB3 GLN 118 1HB GLN 118 -4.811 13.854 11.519 951 HG2 GLN 118 2HG GLN 118 -2.288 15.510 11.515 952 HG3 GLN 118 1HG GLN 118 -3.494 15.405 12.794 953 HE21 GLN 118 1HE2 GLN 118 -0.913 13.579 11.152 954 HE22 GLN 118 2HE2 GLN 118 -0.728 12.421 12.379 955 H LYS 119 H LYS 119 -4.238 14.406 7.848 956 HA LYS 119 HA LYS 119 -6.549 12.746 7.496 957 HB2 LYS 119 2HB LYS 119 -5.397 15.112 6.282 958 HB3 LYS 119 1HB LYS 119 -5.954 13.978 5.052 959 HG2 LYS 119 2HG LYS 119 -7.792 15.458 5.662 960 HG3 LYS 119 1HG LYS 119 -8.146 13.830 6.242 961 HD2 LYS 119 2HD LYS 119 -6.742 14.934 8.352 962 HD3 LYS 119 1HD LYS 119 -7.694 16.297 7.765 963 HE2 LYS 119 2HE LYS 119 -9.681 14.633 7.741 964 HE3 LYS 119 1HE LYS 119 -8.664 13.626 8.773 965 HZ1 LYS 119 3HZ LYS 119 -9.388 16.454 9.326 966 HZ2 LYS 119 1HZ LYS 119 -8.472 15.440 10.331 967 HZ3 LYS 119 2HZ LYS 119 -10.113 15.100 10.053 968 H PHE 120 H PHE 120 -3.188 12.578 6.457 969 HA PHE 120 HA PHE 120 -3.518 11.004 4.160 970 HB2 PHE 120 2HB PHE 120 -1.327 11.293 4.083 971 HB3 PHE 120 1HB PHE 120 -1.394 12.033 5.677 972 HD1 PHE 120 1HD PHE 120 -1.042 8.733 3.925 973 HD2 PHE 120 2HD PHE 120 -0.454 10.965 7.554 974 HE1 PHE 120 1HE PHE 120 0.296 6.886 4.841 975 HE2 PHE 120 2HE PHE 120 0.870 9.088 8.485 976 HZ PHE 120 HZ PHE 120 1.246 7.047 7.131 977 H VAL 121 H VAL 121 -3.183 9.984 7.552 978 HA VAL 121 HA VAL 121 -2.992 7.227 6.975 979 HB VAL 121 HB VAL 121 -3.684 6.883 9.325 980 HG11 VAL 121 1HG1 VAL 121 -1.687 9.042 8.669 981 HG12 VAL 121 2HG1 VAL 121 -1.380 7.356 9.080 982 HG13 VAL 121 3HG1 VAL 121 -1.918 8.484 10.325 983 HG21 VAL 121 3HG2 VAL 121 -5.218 8.376 10.084 984 HG22 VAL 121 1HG2 VAL 121 -4.742 9.593 8.901 985 HG23 VAL 121 2HG2 VAL 121 -3.835 9.421 10.403 986 H SER 122 H SER 122 -5.743 9.390 7.426 987 HA SER 122 HA SER 122 -7.666 7.216 7.258 988 HB2 SER 122 2HB SER 122 -8.899 8.691 8.403 989 HB3 SER 122 1HB SER 122 -7.679 9.939 8.164 990 HG SER 122 HG SER 122 -9.689 9.187 6.298 991 H GLU 123 H GLU 123 -6.268 9.645 5.161 992 HA GLU 123 HA GLU 123 -8.238 9.421 3.091 993 HB2 GLU 123 2HB GLU 123 -5.504 10.636 3.302 994 HB3 GLU 123 1HB GLU 123 -6.266 10.459 1.722 995 HG2 GLU 123 2HG GLU 123 -8.203 11.734 2.457 996 HG3 GLU 123 1HG GLU 123 -7.569 11.813 4.100 997 H ILE 124 H ILE 124 -5.292 7.718 3.903 998 HA ILE 124 HA ILE 124 -4.699 6.516 1.459 999 HB ILE 124 HB ILE 124 -3.614 6.416 3.930 1000 HG12 ILE 124 2HG1 ILE 124 -3.309 4.673 1.498 1001 HG13 ILE 124 1HG1 ILE 124 -2.247 5.950 2.095 1002 HG21 ILE 124 1HG2 ILE 124 -3.797 4.195 4.852 1003 HG22 ILE 124 2HG2 ILE 124 -4.784 3.655 3.495 1004 HG23 ILE 124 3HG2 ILE 124 -5.429 4.818 4.649 1005 HD11 ILE 124 3HD1 ILE 124 -2.115 4.294 4.201 1006 HD12 ILE 124 1HD1 ILE 124 -1.027 4.138 2.822 1007 HD13 ILE 124 2HD1 ILE 124 -2.449 3.101 2.947 1008 H GLN 125 H GLN 125 -7.046 5.577 3.959 1009 HA GLN 125 HA GLN 125 -7.765 3.049 3.147 1010 HB2 GLN 125 2HB GLN 125 -9.489 5.300 4.196 1011 HB3 GLN 125 1HB GLN 125 -10.091 3.665 3.937 1012 HG2 GLN 125 2HG GLN 125 -9.419 3.856 6.239 1013 HG3 GLN 125 1HG GLN 125 -8.293 2.807 5.392 1014 HE21 GLN 125 1HE2 GLN 125 -6.647 3.354 7.066 1015 HE22 GLN 125 2HE2 GLN 125 -5.837 4.845 6.989 1016 H HIS 126 H HIS 126 -8.517 6.113 1.637 1017 HA HIS 126 HA HIS 126 -10.537 5.154 -0.124 1018 HB2 HIS 126 2HB HIS 126 -9.977 7.578 0.551 1019 HB3 HIS 126 1HB HIS 126 -8.766 7.480 -0.721 1020 HD1 HIS 126 1HD HIS 126 -11.192 5.346 -1.998 1021 HD2 HIS 126 2HD HIS 126 -11.087 9.489 -1.547 1022 HE1 HIS 126 1HE HIS 126 -12.902 6.287 -3.614 1023 HE2 HIS 126 2HE HIS 126 -12.848 8.812 -3.352 1024 H ASP 127 H ASP 127 -7.107 4.920 -0.117 1025 HA ASP 127 HA ASP 127 -7.171 3.962 -2.918 1026 HB2 ASP 127 2HB ASP 127 -4.668 4.946 -1.595 1027 HB3 ASP 127 1HB ASP 127 -5.065 4.868 -3.311 1028 H LEU 128 H LEU 128 -7.484 2.588 -0.189 1029 HA LEU 128 HA LEU 128 -5.134 0.885 -0.064 1030 HB2 LEU 128 2HB LEU 128 -6.598 1.676 1.917 1031 HB3 LEU 128 1HB LEU 128 -7.701 0.393 1.418 1032 HG LEU 128 HG LEU 128 -5.370 -0.972 1.364 1033 HD11 LEU 128 1HD1 LEU 128 -3.765 -0.192 2.799 1034 HD12 LEU 128 2HD1 LEU 128 -4.944 0.553 3.879 1035 HD13 LEU 128 3HD1 LEU 128 -4.476 1.367 2.385 1036 HD21 LEU 128 3HD2 LEU 128 -6.960 -2.025 2.634 1037 HD22 LEU 128 1HD2 LEU 128 -7.489 -0.528 3.397 1038 HD23 LEU 128 2HD2 LEU 128 -6.033 -1.341 3.967 1039 H THR 129 H THR 129 -4.890 -1.031 -1.020 1040 HA THR 129 HA THR 129 -7.203 -2.177 -2.453 1041 HB THR 129 HB THR 129 -4.226 -2.407 -2.890 1042 HG1 THR 129 1HG THR 129 -5.081 -0.663 -3.897 1043 HG21 THR 129 3HG2 THR 129 -6.364 -4.298 -3.524 1044 HG22 THR 129 1HG2 THR 129 -4.617 -4.508 -3.624 1045 HG23 THR 129 2HG2 THR 129 -5.493 -3.759 -4.958 1046 H TYR 130 H TYR 130 -4.234 -3.305 -0.803 1047 HA TYR 130 HA TYR 130 -5.855 -5.424 0.466 1048 HB2 TYR 130 2HB TYR 130 -4.429 -6.213 -1.540 1049 HB3 TYR 130 1HB TYR 130 -3.042 -5.932 -0.486 1050 HD1 TYR 130 2HD TYR 130 -6.394 -7.615 -0.492 1051 HD2 TYR 130 1HD TYR 130 -2.361 -7.623 0.989 1052 HE1 TYR 130 2HE TYR 130 -6.812 -9.782 0.641 1053 HE2 TYR 130 1HE TYR 130 -2.779 -9.787 2.121 1054 HH TYR 130 HH TYR 130 -4.320 -11.713 1.890 1055 H ASN 131 H ASN 131 -5.594 -5.484 2.604 1056 HA ASN 131 HA ASN 131 -3.537 -3.799 3.798 1057 HB2 ASN 131 2HB ASN 131 -4.783 -4.009 5.842 1058 HB3 ASN 131 1HB ASN 131 -5.927 -3.692 4.539 1059 HD21 ASN 131 1HD2 ASN 131 -4.714 -6.218 6.726 1060 HD22 ASN 131 2HD2 ASN 131 -5.992 -7.302 6.453 1061 H LEU 132 H LEU 132 -1.581 -4.783 3.961 1062 HA LEU 132 HA LEU 132 -1.272 -7.601 4.392 1063 HB2 LEU 132 2HB LEU 132 0.433 -5.301 3.914 1064 HB3 LEU 132 1HB LEU 132 1.086 -6.290 5.218 1065 HG LEU 132 HG LEU 132 1.837 -6.909 2.859 1066 HD11 LEU 132 1HD1 LEU 132 1.131 -8.510 5.097 1067 HD12 LEU 132 2HD1 LEU 132 2.330 -8.860 3.851 1068 HD13 LEU 132 3HD1 LEU 132 0.663 -9.407 3.652 1069 HD21 LEU 132 3HD2 LEU 132 -0.829 -6.732 2.271 1070 HD22 LEU 132 1HD2 LEU 132 -0.643 -8.473 2.485 1071 HD23 LEU 132 2HD2 LEU 132 0.341 -7.621 1.297 1072 H ARG 133 H ARG 133 -1.826 -8.540 6.262 1073 HA ARG 133 HA ARG 133 -1.539 -7.009 8.760 1074 HB2 ARG 133 2HB ARG 133 -3.660 -8.504 7.798 1075 HB3 ARG 133 1HB ARG 133 -2.901 -9.585 8.964 1076 HG2 ARG 133 2HG ARG 133 -2.876 -7.611 10.581 1077 HG3 ARG 133 1HG ARG 133 -3.939 -6.786 9.440 1078 HD2 ARG 133 2HD ARG 133 -5.123 -8.039 11.304 1079 HD3 ARG 133 1HD ARG 133 -5.634 -8.451 9.670 1080 HE ARG 133 HE ARG 133 -3.540 -10.140 10.786 1081 HH11 ARG 133 1HH2 ARG 133 -6.909 -9.573 10.245 1082 HH12 ARG 133 2HH2 ARG 133 -7.360 -11.235 10.423 1083 HH21 ARG 133 1HH1 ARG 133 -4.122 -12.323 11.018 1084 HH22 ARG 133 2HH1 ARG 133 -5.781 -12.793 10.861 1085 H GLU 134 H GLU 134 -0.624 -7.992 10.619 1086 HA GLU 134 HA GLU 134 1.644 -9.675 10.018 1087 HB2 GLU 134 2HB GLU 134 2.272 -8.187 11.647 1088 HB3 GLU 134 1HB GLU 134 0.663 -8.130 12.363 1089 HG2 GLU 134 2HG GLU 134 0.980 -10.193 13.503 1090 HG3 GLU 134 1HG GLU 134 2.401 -10.595 12.540 1091 H GLY 135 H GLY 135 2.029 -11.754 10.774 1092 HA2 GLY 135 2HA GLY 135 1.529 -13.904 11.424 1093 HA3 GLY 135 1HA GLY 135 0.283 -13.214 12.461 Start of MODEL 16 1 H1 MET 1 H MET 1 8.945 11.996 -14.741 2 HA MET 1 HA MET 1 9.681 10.896 -17.175 3 HB2 MET 1 2HB MET 1 10.931 9.302 -14.932 4 HB3 MET 1 1HB MET 1 11.066 9.012 -16.666 5 HG2 MET 1 2HG MET 1 12.214 11.214 -16.908 6 HG3 MET 1 1HG MET 1 12.158 11.404 -15.155 7 HE1 MET 1 3HE MET 1 14.291 10.659 -13.692 8 HE2 MET 1 1HE MET 1 14.411 11.842 -15.002 9 HE3 MET 1 2HE MET 1 15.669 10.628 -14.789 10 H ASN 2 H ASN 2 8.226 10.662 -14.085 11 HA ASN 2 HA ASN 2 5.974 9.241 -15.088 12 HB2 ASN 2 2HB ASN 2 7.578 7.349 -14.885 13 HB3 ASN 2 1HB ASN 2 7.737 7.706 -13.166 14 HD21 ASN 2 1HD2 ASN 2 5.144 8.180 -12.344 15 HD22 ASN 2 2HD2 ASN 2 4.166 6.825 -12.643 16 H LYS 3 H LYS 3 4.272 9.864 -13.917 17 HA LYS 3 HA LYS 3 4.498 11.601 -11.717 18 HB2 LYS 3 2HB LYS 3 2.024 9.966 -12.140 19 HB3 LYS 3 1HB LYS 3 2.180 11.676 -11.733 20 HG2 LYS 3 2HG LYS 3 3.201 12.009 -14.042 21 HG3 LYS 3 1HG LYS 3 2.685 10.363 -14.413 22 HD2 LYS 3 2HD LYS 3 0.356 10.956 -13.932 23 HD3 LYS 3 1HD LYS 3 0.848 12.592 -13.488 24 HE2 LYS 3 2HE LYS 3 0.365 13.047 -15.673 25 HE3 LYS 3 1HE LYS 3 1.980 12.396 -15.951 26 HZ1 LYS 3 3HZ LYS 3 0.418 11.322 -17.400 27 HZ2 LYS 3 1HZ LYS 3 -0.579 10.897 -16.095 28 HZ3 LYS 3 2HZ LYS 3 0.962 10.197 -16.251 29 H GLU 4 H GLU 4 5.084 11.158 -9.699 30 HA GLU 4 HA GLU 4 5.435 8.561 -8.669 31 HB2 GLU 4 2HB GLU 4 5.256 11.267 -7.344 32 HB3 GLU 4 1HB GLU 4 5.581 9.786 -6.439 33 HG2 GLU 4 2HG GLU 4 7.600 9.376 -7.647 34 HG3 GLU 4 1HG GLU 4 7.208 10.599 -8.854 35 H LEU 5 H LEU 5 4.345 7.637 -6.767 36 HA LEU 5 HA LEU 5 1.546 7.423 -7.194 37 HB2 LEU 5 2HB LEU 5 3.102 5.642 -6.255 38 HB3 LEU 5 1HB LEU 5 3.036 6.520 -4.731 39 HG LEU 5 HG LEU 5 1.396 4.607 -4.946 40 HD11 LEU 5 1HD1 LEU 5 1.086 7.104 -3.775 41 HD12 LEU 5 2HD1 LEU 5 0.168 5.650 -3.408 42 HD13 LEU 5 3HD1 LEU 5 -0.450 6.804 -4.587 43 HD21 LEU 5 3HD2 LEU 5 -0.298 6.410 -6.634 44 HD22 LEU 5 1HD2 LEU 5 -0.397 4.663 -6.422 45 HD23 LEU 5 2HD2 LEU 5 0.884 5.356 -7.414 46 H LEU 6 H LEU 6 3.474 9.459 -5.141 47 HA LEU 6 HA LEU 6 1.699 10.043 -3.095 48 HB2 LEU 6 2HB LEU 6 2.741 12.358 -3.130 49 HB3 LEU 6 1HB LEU 6 3.857 10.999 -2.956 50 HG LEU 6 HG LEU 6 4.053 11.059 -5.524 51 HD11 LEU 6 1HD1 LEU 6 2.342 12.454 -6.267 52 HD12 LEU 6 2HD1 LEU 6 3.714 13.561 -6.265 53 HD13 LEU 6 3HD1 LEU 6 2.553 13.592 -4.937 54 HD21 LEU 6 3HD2 LEU 6 5.437 13.408 -5.108 55 HD22 LEU 6 1HD2 LEU 6 6.038 11.799 -4.703 56 HD23 LEU 6 2HD2 LEU 6 5.256 12.785 -3.468 57 H GLN 7 H GLN 7 0.658 10.012 -6.088 58 HA GLN 7 HA GLN 7 -0.508 12.547 -6.518 59 HB2 GLN 7 2HB GLN 7 -0.302 10.407 -8.076 60 HB3 GLN 7 1HB GLN 7 -1.901 10.059 -7.415 61 HG2 GLN 7 2HG GLN 7 -2.142 12.719 -7.992 62 HG3 GLN 7 1HG GLN 7 -1.058 12.188 -9.279 63 HE21 GLN 7 1HE2 GLN 7 -4.161 11.224 -7.709 64 HE22 GLN 7 2HE2 GLN 7 -4.854 10.612 -9.132 65 H LEU 8 H LEU 8 -0.994 10.202 -4.168 66 HA LEU 8 HA LEU 8 -3.779 10.323 -3.741 67 HB2 LEU 8 2HB LEU 8 -1.493 9.832 -1.823 68 HB3 LEU 8 1HB LEU 8 -3.194 9.633 -1.397 69 HG LEU 8 HG LEU 8 -1.991 8.245 -3.795 70 HD11 LEU 8 1HD1 LEU 8 -2.226 7.159 -0.971 71 HD12 LEU 8 2HD1 LEU 8 -0.712 7.614 -1.755 72 HD13 LEU 8 3HD1 LEU 8 -1.664 6.270 -2.385 73 HD21 LEU 8 3HD2 LEU 8 -4.472 7.926 -2.094 74 HD22 LEU 8 1HD2 LEU 8 -3.912 6.650 -3.175 75 HD23 LEU 8 2HD2 LEU 8 -4.374 8.219 -3.831 76 HA PRO 9 HA PRO 9 -4.809 14.329 -2.281 77 HB2 PRO 9 2HB PRO 9 -5.831 12.970 0.166 78 HB3 PRO 9 1HB PRO 9 -6.633 14.131 -0.904 79 HG2 PRO 9 2HG PRO 9 -7.135 11.487 -0.970 80 HG3 PRO 9 1HG PRO 9 -7.262 12.535 -2.390 81 HD2 PRO 9 2HD PRO 9 -5.265 10.451 -1.800 82 HD3 PRO 9 1HD PRO 9 -5.681 11.213 -3.350 83 H LEU 10 H LEU 10 -2.737 12.295 -0.349 84 HA LEU 10 HA LEU 10 -2.373 13.841 1.906 85 HB2 LEU 10 2HB LEU 10 0.199 13.049 1.450 86 HB3 LEU 10 1HB LEU 10 -1.025 12.157 2.351 87 HG LEU 10 HG LEU 10 -1.631 11.402 -0.207 88 HD11 LEU 10 1HD1 LEU 10 0.563 12.845 -0.683 89 HD12 LEU 10 2HD1 LEU 10 0.210 11.361 -1.589 90 HD13 LEU 10 3HD1 LEU 10 1.347 11.318 -0.240 91 HD21 LEU 10 3HD2 LEU 10 -0.776 9.304 0.412 92 HD22 LEU 10 1HD2 LEU 10 -1.077 10.075 1.974 93 HD23 LEU 10 2HD2 LEU 10 0.564 10.017 1.312 94 H PHE 11 H PHE 11 -0.615 14.162 -1.167 95 HA PHE 11 HA PHE 11 0.591 16.582 -0.127 96 HB2 PHE 11 2HB PHE 11 2.179 16.492 -1.787 97 HB3 PHE 11 1HB PHE 11 1.838 14.779 -1.493 98 HD1 PHE 11 1HD PHE 11 -0.479 14.133 -2.692 99 HD2 PHE 11 2HD PHE 11 2.324 16.999 -4.124 100 HE1 PHE 11 1HE PHE 11 -1.369 13.830 -4.997 101 HE2 PHE 11 2HE PHE 11 1.477 16.708 -6.434 102 HZ PHE 11 HZ PHE 11 -0.378 15.118 -6.874 103 H GLU 12 H GLU 12 -1.582 15.560 -2.707 104 HA GLU 12 HA GLU 12 -1.810 17.908 -4.156 105 HB2 GLU 12 2HB GLU 12 -2.897 15.727 -4.732 106 HB3 GLU 12 1HB GLU 12 -4.093 16.046 -3.476 107 HG2 GLU 12 2HG GLU 12 -4.854 16.718 -5.761 108 HG3 GLU 12 1HG GLU 12 -4.846 18.030 -4.588 109 H SER 13 H SER 13 -3.055 17.130 -1.001 110 HA SER 13 HA SER 13 -4.610 19.629 -0.939 111 HB2 SER 13 2HB SER 13 -4.616 17.874 1.428 112 HB3 SER 13 1HB SER 13 -5.961 18.648 0.592 113 HG SER 13 HG SER 13 -6.047 16.419 0.280 114 H ALA 14 H ALA 14 -1.538 18.656 -0.377 115 HA ALA 14 HA ALA 14 -1.169 20.391 1.981 116 HB1 ALA 14 1HB ALA 14 1.056 18.738 0.902 117 HB2 ALA 14 2HB ALA 14 -0.273 17.877 1.686 118 HB3 ALA 14 3HB ALA 14 0.629 19.099 2.579 119 H SER 15 H SER 15 0.683 21.823 1.945 120 HA SER 15 HA SER 15 0.899 23.313 -0.445 121 HB2 SER 15 2HB SER 15 1.512 23.931 2.053 122 HB3 SER 15 1HB SER 15 3.098 23.317 1.596 123 HG SER 15 HG SER 15 2.278 25.686 1.169 124 H ARG 16 H ARG 16 2.471 23.252 -2.073 125 HA ARG 16 HA ARG 16 3.486 20.822 -2.827 126 HB2 ARG 16 2HB ARG 16 4.974 23.421 -3.312 127 HB3 ARG 16 1HB ARG 16 4.967 21.981 -4.331 128 HG2 ARG 16 2HG ARG 16 2.541 23.707 -3.747 129 HG3 ARG 16 1HG ARG 16 3.486 23.759 -5.236 130 HD2 ARG 16 2HD ARG 16 2.941 21.062 -4.941 131 HD3 ARG 16 1HD ARG 16 1.456 21.826 -4.382 132 HE ARG 16 HE ARG 16 1.796 23.145 -6.650 133 HH11 ARG 16 1HH2 ARG 16 2.331 19.803 -5.928 134 HH12 ARG 16 2HH2 ARG 16 1.982 19.257 -7.533 135 HH21 ARG 16 1HH1 ARG 16 1.342 22.435 -8.762 136 HH22 ARG 16 2HH1 ARG 16 1.424 20.746 -9.138 137 H GLY 17 H GLY 17 4.440 22.855 -0.284 138 HA2 GLY 17 2HA GLY 17 7.136 22.163 0.090 139 HA3 GLY 17 1HA GLY 17 6.023 22.653 1.369 140 H CYS 18 H CYS 18 4.110 20.550 1.099 141 HA CYS 18 HA CYS 18 5.438 18.487 2.590 142 HB2 CYS 18 2HB CYS 18 2.771 19.251 2.161 143 HB3 CYS 18 1HB CYS 18 2.899 17.651 1.411 144 HG CYS 18 HG CYS 18 2.428 17.250 3.944 145 H LEU 19 H LEU 19 4.553 19.024 -0.742 146 HA LEU 19 HA LEU 19 4.960 16.338 -1.603 147 HB2 LEU 19 2HB LEU 19 3.721 18.089 -2.896 148 HB3 LEU 19 1HB LEU 19 5.265 18.874 -3.227 149 HG LEU 19 HG LEU 19 6.083 16.907 -4.391 150 HD11 LEU 19 1HD1 LEU 19 3.670 15.652 -3.154 151 HD12 LEU 19 2HD1 LEU 19 5.271 14.976 -3.451 152 HD13 LEU 19 3HD1 LEU 19 4.115 15.116 -4.773 153 HD21 LEU 19 3HD2 LEU 19 5.051 17.829 -6.169 154 HD22 LEU 19 1HD2 LEU 19 3.695 18.358 -5.173 155 HD23 LEU 19 2HD2 LEU 19 3.696 16.740 -5.874 156 H ARG 20 H ARG 20 7.008 19.131 -1.140 157 HA ARG 20 HA ARG 20 9.390 18.027 -2.311 158 HB2 ARG 20 2HB ARG 20 8.923 20.229 -0.281 159 HB3 ARG 20 1HB ARG 20 10.488 19.859 -0.992 160 HG2 ARG 20 2HG ARG 20 8.013 20.582 -2.561 161 HG3 ARG 20 1HG ARG 20 9.327 21.699 -2.177 162 HD2 ARG 20 2HD ARG 20 9.291 19.401 -4.082 163 HD3 ARG 20 1HD ARG 20 10.036 20.989 -4.258 164 HE ARG 20 HE ARG 20 11.605 20.012 -2.383 165 HH11 ARG 20 1HH2 ARG 20 10.202 18.401 -5.107 166 HH12 ARG 20 2HH2 ARG 20 11.483 17.247 -5.257 167 HH21 ARG 20 1HH1 ARG 20 13.285 18.497 -2.571 168 HH22 ARG 20 2HH1 ARG 20 13.227 17.300 -3.822 169 H SER 21 H SER 21 7.901 18.239 0.801 170 HA SER 21 HA SER 21 9.835 17.083 2.490 171 HB2 SER 21 2HB SER 21 6.851 16.845 2.734 172 HB3 SER 21 1HB SER 21 8.040 16.954 4.032 173 HG SER 21 HG SER 21 8.412 19.047 2.524 174 H LEU 22 H LEU 22 7.066 15.584 0.813 175 HA LEU 22 HA LEU 22 7.704 12.931 1.570 176 HB2 LEU 22 2HB LEU 22 5.747 14.214 -0.048 177 HB3 LEU 22 1HB LEU 22 6.504 12.949 -1.018 178 HG LEU 22 HG LEU 22 6.188 11.396 0.958 179 HD11 LEU 22 1HD1 LEU 22 5.095 12.071 2.820 180 HD12 LEU 22 2HD1 LEU 22 3.977 13.095 1.922 181 HD13 LEU 22 3HD1 LEU 22 5.592 13.686 2.313 182 HD21 LEU 22 3HD2 LEU 22 4.681 10.933 -0.711 183 HD22 LEU 22 1HD2 LEU 22 4.051 12.585 -0.738 184 HD23 LEU 22 2HD2 LEU 22 3.563 11.480 0.543 185 H SER 23 H SER 23 8.296 14.703 -1.470 186 HA SER 23 HA SER 23 9.733 12.718 -2.734 187 HB2 SER 23 2HB SER 23 9.345 14.231 -4.290 188 HB3 SER 23 1HB SER 23 9.355 15.571 -3.133 189 HG SER 23 HG SER 23 11.791 14.820 -3.133 190 H LEU 24 H LEU 24 10.746 14.927 -0.265 191 HA LEU 24 HA LEU 24 13.529 14.662 -0.549 192 HB2 LEU 24 2HB LEU 24 11.668 15.569 1.491 193 HB3 LEU 24 1HB LEU 24 13.055 14.730 2.186 194 HG LEU 24 HG LEU 24 13.535 17.112 1.930 195 HD11 LEU 24 1HD1 LEU 24 15.111 15.002 1.043 196 HD12 LEU 24 2HD1 LEU 24 15.673 16.634 1.405 197 HD13 LEU 24 3HD1 LEU 24 15.235 16.198 -0.247 198 HD21 LEU 24 3HD2 LEU 24 12.534 16.583 -0.825 199 HD22 LEU 24 1HD2 LEU 24 13.849 17.744 -0.652 200 HD23 LEU 24 2HD2 LEU 24 12.322 18.008 0.190 201 H ILE 25 H ILE 25 11.030 12.584 0.797 202 HA ILE 25 HA ILE 25 13.112 10.539 1.292 203 HB ILE 25 HB ILE 25 11.804 11.425 3.313 204 HG12 ILE 25 2HG1 ILE 25 11.322 8.649 3.586 205 HG13 ILE 25 1HG1 ILE 25 12.671 8.793 2.502 206 HG21 ILE 25 1HG2 ILE 25 9.789 9.394 2.755 207 HG22 ILE 25 2HG2 ILE 25 9.633 10.811 1.700 208 HG23 ILE 25 3HG2 ILE 25 9.573 10.997 3.459 209 HD11 ILE 25 3HD1 ILE 25 13.698 8.791 4.626 210 HD12 ILE 25 1HD1 ILE 25 12.417 9.785 5.332 211 HD13 ILE 25 2HD1 ILE 25 13.598 10.509 4.233 212 H ILE 26 H ILE 26 11.404 11.086 -1.193 213 HA ILE 26 HA ILE 26 9.544 8.990 -1.466 214 HB ILE 26 HB ILE 26 10.847 11.013 -3.147 215 HG12 ILE 26 2HG1 ILE 26 8.477 11.050 -2.202 216 HG13 ILE 26 1HG1 ILE 26 8.624 11.371 -3.932 217 HG21 ILE 26 1HG2 ILE 26 10.031 8.382 -4.233 218 HG22 ILE 26 2HG2 ILE 26 11.533 9.240 -4.525 219 HG23 ILE 26 3HG2 ILE 26 10.022 9.818 -5.239 220 HD11 ILE 26 3HD1 ILE 26 7.025 9.441 -2.764 221 HD12 ILE 26 1HD1 ILE 26 8.410 8.551 -3.391 222 HD13 ILE 26 2HD1 ILE 26 7.457 9.570 -4.470 223 H LYS 27 H LYS 27 9.861 6.848 -1.829 224 HA LYS 27 HA LYS 27 12.532 6.033 -2.839 225 HB2 LYS 27 2HB LYS 27 10.818 4.481 -0.887 226 HB3 LYS 27 1HB LYS 27 12.393 3.999 -1.506 227 HG2 LYS 27 2HG LYS 27 12.634 6.654 -0.478 228 HG3 LYS 27 1HG LYS 27 11.820 5.673 0.740 229 HD2 LYS 27 2HD LYS 27 13.604 4.107 0.830 230 HD3 LYS 27 1HD LYS 27 14.314 4.711 -0.668 231 HE2 LYS 27 2HE LYS 27 14.827 6.859 0.441 232 HE3 LYS 27 1HE LYS 27 14.125 6.251 1.940 233 HZ1 LYS 27 3HZ LYS 27 15.993 5.184 2.412 234 HZ2 LYS 27 1HZ LYS 27 16.726 5.955 1.091 235 HZ3 LYS 27 2HZ LYS 27 16.024 4.422 0.894 236 H THR 28 H THR 28 12.559 4.042 -4.111 237 HA THR 28 HA THR 28 9.960 3.200 -5.188 238 HB THR 28 HB THR 28 10.207 4.325 -7.105 239 HG1 THR 28 1HG THR 28 11.813 3.635 -8.504 240 HG21 THR 28 3HG2 THR 28 12.993 5.073 -6.174 241 HG22 THR 28 1HG2 THR 28 11.522 5.950 -5.755 242 HG23 THR 28 2HG2 THR 28 12.061 5.883 -7.433 243 H SER 29 H SER 29 9.886 1.051 -5.287 244 HA SER 29 HA SER 29 12.427 -0.450 -5.553 245 HB2 SER 29 2HB SER 29 11.392 -2.242 -4.267 246 HB3 SER 29 1HB SER 29 11.288 -0.741 -3.347 247 HG SER 29 HG SER 29 9.163 -0.572 -3.869 248 H PHE 30 H PHE 30 12.235 -2.551 -6.691 249 HA PHE 30 HA PHE 30 9.975 -2.632 -8.592 250 HB2 PHE 30 2HB PHE 30 11.877 -3.500 -10.225 251 HB3 PHE 30 1HB PHE 30 11.530 -1.780 -10.055 252 HD1 PHE 30 2HD PHE 30 12.929 -0.381 -8.485 253 HD2 PHE 30 1HD PHE 30 13.963 -4.417 -9.527 254 HE1 PHE 30 2HE PHE 30 15.246 0.007 -7.688 255 HE2 PHE 30 1HE PHE 30 16.280 -4.029 -8.732 256 HZ PHE 30 HZ PHE 30 16.921 -1.817 -7.812 257 H CYS 31 H CYS 31 9.637 -4.731 -9.602 258 HA CYS 31 HA CYS 31 10.887 -6.993 -8.186 259 HB2 CYS 31 2HB CYS 31 7.907 -6.711 -8.620 260 HB3 CYS 31 1HB CYS 31 8.735 -8.075 -7.861 261 HG CYS 31 HG CYS 31 9.431 -6.484 -5.893 262 H ALA 32 H ALA 32 10.866 -8.957 -9.315 263 HA ALA 32 HA ALA 32 10.453 -8.659 -12.220 264 HB1 ALA 32 1HB ALA 32 12.505 -9.908 -10.534 265 HB2 ALA 32 2HB ALA 32 12.630 -9.283 -12.181 266 HB3 ALA 32 3HB ALA 32 11.988 -10.902 -11.893 267 HA PRO 33 HA PRO 33 7.481 -11.925 -12.440 268 HB2 PRO 33 2HB PRO 33 9.180 -13.538 -14.248 269 HB3 PRO 33 1HB PRO 33 7.583 -12.827 -14.542 270 HG2 PRO 33 2HG PRO 33 9.817 -11.867 -15.673 271 HG3 PRO 33 1HG PRO 33 8.450 -10.833 -15.231 272 HD2 PRO 33 2HD PRO 33 11.087 -11.155 -13.861 273 HD3 PRO 33 1HD PRO 33 10.058 -9.716 -14.015 274 H GLY 34 H GLY 34 7.093 -13.450 -10.918 275 HA2 GLY 34 2HA GLY 34 7.365 -15.308 -9.573 276 HA3 GLY 34 1HA GLY 34 8.741 -15.760 -10.576 277 H GLU 35 H GLU 35 9.172 -12.612 -9.598 278 HA GLU 35 HA GLU 35 11.348 -13.287 -7.894 279 HB2 GLU 35 2HB GLU 35 11.000 -11.216 -9.413 280 HB3 GLU 35 1HB GLU 35 10.180 -10.561 -8.016 281 HG2 GLU 35 2HG GLU 35 12.751 -11.804 -7.369 282 HG3 GLU 35 1HG GLU 35 12.848 -10.418 -8.440 283 H PHE 36 H PHE 36 11.493 -13.437 -5.737 284 HA PHE 36 HA PHE 36 9.013 -13.231 -4.192 285 HB2 PHE 36 2HB PHE 36 11.681 -14.236 -3.206 286 HB3 PHE 36 1HB PHE 36 10.078 -14.581 -2.557 287 HD1 PHE 36 2HD PHE 36 12.447 -15.274 -5.297 288 HD2 PHE 36 1HD PHE 36 8.588 -16.174 -3.639 289 HE1 PHE 36 2HE PHE 36 12.261 -17.242 -6.795 290 HE2 PHE 36 1HE PHE 36 8.403 -18.141 -5.137 291 HZ PHE 36 HZ PHE 36 10.239 -18.676 -6.715 292 H LEU 37 H LEU 37 8.560 -11.358 -3.239 293 HA LEU 37 HA LEU 37 10.727 -9.559 -2.451 294 HB2 LEU 37 2HB LEU 37 7.840 -8.878 -2.095 295 HB3 LEU 37 1HB LEU 37 9.197 -7.836 -2.519 296 HG LEU 37 HG LEU 37 8.062 -9.980 -4.338 297 HD11 LEU 37 1HD1 LEU 37 7.672 -6.975 -4.298 298 HD12 LEU 37 2HD1 LEU 37 6.426 -8.206 -4.095 299 HD13 LEU 37 3HD1 LEU 37 7.225 -8.012 -5.653 300 HD21 LEU 37 3HD2 LEU 37 9.498 -8.965 -6.021 301 HD22 LEU 37 1HD2 LEU 37 10.480 -9.402 -4.625 302 HD23 LEU 37 2HD2 LEU 37 10.011 -7.721 -4.883 303 H ILE 38 H ILE 38 7.948 -11.250 -0.933 304 HA ILE 38 HA ILE 38 9.212 -10.712 1.622 305 HB ILE 38 HB ILE 38 6.826 -9.673 0.996 306 HG12 ILE 38 2HG1 ILE 38 6.475 -10.129 3.639 307 HG13 ILE 38 1HG1 ILE 38 8.196 -10.484 3.487 308 HG21 ILE 38 1HG2 ILE 38 6.197 -12.256 0.996 309 HG22 ILE 38 2HG2 ILE 38 5.054 -11.027 1.483 310 HG23 ILE 38 3HG2 ILE 38 5.957 -11.940 2.696 311 HD11 ILE 38 3HD1 ILE 38 6.766 -7.910 3.039 312 HD12 ILE 38 1HD1 ILE 38 8.132 -8.283 1.978 313 HD13 ILE 38 2HD1 ILE 38 8.364 -8.201 3.733 314 H ARG 39 H ARG 39 9.122 -12.259 3.225 315 HA ARG 39 HA ARG 39 8.285 -14.937 2.340 316 HB2 ARG 39 2HB ARG 39 10.715 -14.745 2.080 317 HB3 ARG 39 1HB ARG 39 10.829 -14.223 3.743 318 HG2 ARG 39 2HG ARG 39 11.355 -16.575 3.681 319 HG3 ARG 39 1HG ARG 39 9.781 -16.370 4.448 320 HD2 ARG 39 2HD ARG 39 8.739 -17.519 2.810 321 HD3 ARG 39 1HD ARG 39 9.534 -16.556 1.565 322 HE ARG 39 HE ARG 39 11.523 -18.203 2.298 323 HH11 ARG 39 1HH2 ARG 39 8.174 -18.765 1.636 324 HH12 ARG 39 2HH2 ARG 39 8.416 -20.382 1.063 325 HH21 ARG 39 1HH1 ARG 39 11.848 -20.322 1.547 326 HH22 ARG 39 2HH1 ARG 39 10.496 -21.262 1.012 327 H GLN 40 H GLN 40 6.605 -15.294 3.619 328 HA GLN 40 HA GLN 40 5.520 -14.378 5.761 329 HB2 GLN 40 2HB GLN 40 5.311 -16.778 6.743 330 HB3 GLN 40 1HB GLN 40 4.649 -16.447 5.142 331 HG2 GLN 40 2HG GLN 40 5.897 -18.481 4.960 332 HG3 GLN 40 1HG GLN 40 6.843 -17.218 4.177 333 HE21 GLN 40 1HE2 GLN 40 8.886 -18.336 4.596 334 HE22 GLN 40 2HE2 GLN 40 9.531 -18.431 6.163 335 H GLY 41 H GLY 41 5.927 -13.725 7.772 336 HA2 GLY 41 2HA GLY 41 6.895 -13.809 9.920 337 HA3 GLY 41 1HA GLY 41 8.126 -14.904 9.299 338 H ASP 42 H ASP 42 7.696 -12.352 7.172 339 HA ASP 42 HA ASP 42 10.264 -11.217 7.892 340 HB2 ASP 42 2HB ASP 42 8.341 -10.870 5.628 341 HB3 ASP 42 1HB ASP 42 9.589 -9.654 5.902 342 H ALA 43 H ALA 43 10.257 -8.652 7.467 343 HA ALA 43 HA ALA 43 8.227 -7.500 9.283 344 HB1 ALA 43 1HB ALA 43 11.193 -6.943 9.137 345 HB2 ALA 43 2HB ALA 43 10.311 -7.653 10.489 346 HB3 ALA 43 3HB ALA 43 10.052 -5.962 10.058 347 H LEU 44 H LEU 44 6.958 -6.233 8.048 348 HA LEU 44 HA LEU 44 8.140 -4.743 5.806 349 HB2 LEU 44 2HB LEU 44 5.991 -6.117 5.594 350 HB3 LEU 44 1HB LEU 44 5.220 -4.834 6.528 351 HG LEU 44 HG LEU 44 6.801 -3.580 4.519 352 HD11 LEU 44 1HD1 LEU 44 6.723 -5.745 3.339 353 HD12 LEU 44 2HD1 LEU 44 5.790 -4.518 2.482 354 HD13 LEU 44 3HD1 LEU 44 4.965 -5.742 3.447 355 HD21 LEU 44 3HD2 LEU 44 4.472 -2.914 3.714 356 HD22 LEU 44 1HD2 LEU 44 4.840 -2.553 5.400 357 HD23 LEU 44 2HD2 LEU 44 3.839 -3.947 4.995 358 H GLN 45 H GLN 45 8.526 -2.619 5.903 359 HA GLN 45 HA GLN 45 7.391 -1.115 8.186 360 HB2 GLN 45 2HB GLN 45 9.749 -1.365 8.542 361 HB3 GLN 45 1HB GLN 45 10.106 -0.901 6.878 362 HG2 GLN 45 2HG GLN 45 9.450 1.352 7.253 363 HG3 GLN 45 1HG GLN 45 8.656 0.948 8.775 364 HE21 GLN 45 1HE2 GLN 45 10.775 2.952 8.501 365 HE22 GLN 45 2HE2 GLN 45 12.092 2.406 9.422 366 H ALA 46 H ALA 46 8.478 -0.898 4.807 367 HA ALA 46 HA ALA 46 7.187 1.718 4.536 368 HB1 ALA 46 1HB ALA 46 8.801 0.100 2.552 369 HB2 ALA 46 2HB ALA 46 9.413 1.422 3.548 370 HB3 ALA 46 3HB ALA 46 8.210 1.742 2.298 371 H ILE 47 H ILE 47 5.801 2.116 2.630 372 HA ILE 47 HA ILE 47 4.003 -0.187 2.157 373 HB ILE 47 HB ILE 47 2.794 1.545 3.261 374 HG12 ILE 47 2HG1 ILE 47 1.960 2.435 0.597 375 HG13 ILE 47 1HG1 ILE 47 2.142 0.684 0.701 376 HG21 ILE 47 1HG2 ILE 47 3.794 3.502 1.178 377 HG22 ILE 47 2HG2 ILE 47 4.561 3.301 2.754 378 HG23 ILE 47 3HG2 ILE 47 2.893 3.866 2.651 379 HD11 ILE 47 3HD1 ILE 47 -0.145 1.782 1.379 380 HD12 ILE 47 1HD1 ILE 47 0.694 2.155 2.884 381 HD13 ILE 47 2HD1 ILE 47 0.516 0.479 2.366 382 H TYR 48 H TYR 48 3.558 -0.822 0.085 383 HA TYR 48 HA TYR 48 4.948 0.676 -2.054 384 HB2 TYR 48 2HB TYR 48 4.221 -2.252 -2.157 385 HB3 TYR 48 1HB TYR 48 5.247 -1.363 -3.271 386 HD1 TYR 48 1HD TYR 48 4.987 -2.228 0.357 387 HD2 TYR 48 2HD TYR 48 7.554 -1.436 -2.984 388 HE1 TYR 48 1HE TYR 48 6.961 -2.823 1.738 389 HE2 TYR 48 2HE TYR 48 9.530 -2.031 -1.611 390 HH TYR 48 HH TYR 48 9.980 -2.000 1.072 391 H PHE 49 H PHE 49 4.039 0.684 -4.130 392 HA PHE 49 HA PHE 49 1.127 0.184 -4.330 393 HB2 PHE 49 2HB PHE 49 2.257 2.728 -4.260 394 HB3 PHE 49 1HB PHE 49 2.148 2.383 -5.983 395 HD1 PHE 49 1HD PHE 49 -0.180 1.524 -6.902 396 HD2 PHE 49 2HD PHE 49 0.388 3.442 -3.081 397 HE1 PHE 49 1HE PHE 49 -2.579 2.125 -6.830 398 HE2 PHE 49 2HE PHE 49 -2.024 4.011 -3.017 399 HZ PHE 49 HZ PHE 49 -3.504 3.354 -4.891 400 H VAL 50 H VAL 50 0.563 -0.696 -6.354 401 HA VAL 50 HA VAL 50 2.829 -1.347 -8.088 402 HB VAL 50 HB VAL 50 0.473 -2.731 -7.130 403 HG11 VAL 50 1HG1 VAL 50 -0.254 -2.167 -9.388 404 HG12 VAL 50 2HG1 VAL 50 -0.035 -3.899 -9.200 405 HG13 VAL 50 3HG1 VAL 50 1.169 -2.936 -10.063 406 HG21 VAL 50 3HG2 VAL 50 1.898 -4.692 -7.925 407 HG22 VAL 50 1HG2 VAL 50 2.650 -3.637 -6.727 408 HG23 VAL 50 2HG2 VAL 50 3.096 -3.499 -8.427 409 H CYS 51 H CYS 51 2.984 -0.406 -10.042 410 HA CYS 51 HA CYS 51 0.780 1.351 -10.860 411 HB2 CYS 51 2HB CYS 51 3.231 2.107 -10.705 412 HB3 CYS 51 1HB CYS 51 3.482 1.172 -12.180 413 HG CYS 51 HG CYS 51 2.698 3.276 -13.269 414 H SER 52 H SER 52 2.629 -1.430 -11.943 415 HA SER 52 HA SER 52 0.553 -2.314 -13.682 416 HB2 SER 52 2HB SER 52 1.111 -1.088 -15.496 417 HB3 SER 52 1HB SER 52 2.664 -0.627 -14.808 418 HG SER 52 HG SER 52 3.021 -1.956 -16.575 419 H GLY 53 H GLY 53 0.781 -4.456 -14.098 420 HA2 GLY 53 2HA GLY 53 2.518 -6.241 -14.650 421 HA3 GLY 53 1HA GLY 53 3.268 -5.734 -13.137 422 H SER 54 H SER 54 2.954 -7.974 -12.401 423 HA SER 54 HA SER 54 0.288 -8.268 -11.195 424 HB2 SER 54 2HB SER 54 1.462 -10.744 -12.361 425 HB3 SER 54 1HB SER 54 -0.224 -10.309 -12.102 426 HG SER 54 HG SER 54 1.277 -8.786 -13.901 427 H MET 55 H MET 55 0.280 -9.272 -9.218 428 HA MET 55 HA MET 55 2.617 -10.725 -8.294 429 HB2 MET 55 2HB MET 55 2.576 -9.052 -6.214 430 HB3 MET 55 1HB MET 55 3.593 -8.754 -7.623 431 HG2 MET 55 2HG MET 55 2.257 -7.058 -8.410 432 HG3 MET 55 1HG MET 55 0.789 -7.743 -7.714 433 HE1 MET 55 3HE MET 55 4.128 -7.424 -5.580 434 HE2 MET 55 1HE MET 55 4.154 -5.666 -5.384 435 HE3 MET 55 2HE MET 55 4.231 -6.378 -6.994 436 H GLU 56 H GLU 56 2.299 -11.588 -6.084 437 HA GLU 56 HA GLU 56 -0.307 -11.398 -4.887 438 HB2 GLU 56 2HB GLU 56 -0.837 -13.838 -5.235 439 HB3 GLU 56 1HB GLU 56 -1.002 -12.825 -6.663 440 HG2 GLU 56 2HG GLU 56 0.179 -14.969 -7.128 441 HG3 GLU 56 1HG GLU 56 1.175 -13.558 -7.491 442 H VAL 57 H VAL 57 -0.503 -12.600 -2.916 443 HA VAL 57 HA VAL 57 2.111 -13.246 -1.756 444 HB VAL 57 HB VAL 57 1.334 -12.564 0.267 445 HG11 VAL 57 1HG1 VAL 57 0.928 -10.638 -1.120 446 HG12 VAL 57 2HG1 VAL 57 -0.428 -10.777 -0.001 447 HG13 VAL 57 3HG1 VAL 57 -0.611 -11.295 -1.675 448 HG21 VAL 57 3HG2 VAL 57 -1.120 -12.786 0.891 449 HG22 VAL 57 1HG2 VAL 57 -0.254 -14.300 0.636 450 HG23 VAL 57 2HG2 VAL 57 -1.332 -13.682 -0.615 451 H LEU 58 H LEU 58 2.676 -15.280 -1.226 452 HA LEU 58 HA LEU 58 0.717 -17.402 -1.774 453 HB2 LEU 58 2HB LEU 58 3.400 -16.986 -2.553 454 HB3 LEU 58 1HB LEU 58 3.389 -18.384 -1.478 455 HG LEU 58 HG LEU 58 1.693 -17.991 -3.963 456 HD11 LEU 58 1HD1 LEU 58 3.514 -20.313 -3.458 457 HD12 LEU 58 2HD1 LEU 58 4.232 -18.776 -3.938 458 HD13 LEU 58 3HD1 LEU 58 3.052 -19.564 -4.986 459 HD21 LEU 58 3HD2 LEU 58 1.428 -20.618 -3.054 460 HD22 LEU 58 1HD2 LEU 58 0.208 -19.350 -2.934 461 HD23 LEU 58 2HD2 LEU 58 1.307 -19.644 -1.588 462 H LYS 59 H LYS 59 -0.154 -18.462 -0.137 463 HA LYS 59 HA LYS 59 1.457 -19.363 2.051 464 HB2 LYS 59 2HB LYS 59 1.144 -17.224 2.953 465 HB3 LYS 59 1HB LYS 59 -0.527 -17.155 2.455 466 HG2 LYS 59 2HG LYS 59 -0.409 -17.571 4.865 467 HG3 LYS 59 1HG LYS 59 -1.059 -18.993 4.058 468 HD2 LYS 59 2HD LYS 59 0.576 -19.745 5.667 469 HD3 LYS 59 1HD LYS 59 1.281 -19.961 4.073 470 HE2 LYS 59 2HE LYS 59 2.832 -18.919 5.762 471 HE3 LYS 59 1HE LYS 59 2.606 -17.957 4.299 472 HZ1 LYS 59 3HZ LYS 59 0.722 -17.488 6.470 473 HZ2 LYS 59 1HZ LYS 59 1.454 -16.382 5.415 474 HZ3 LYS 59 2HZ LYS 59 2.317 -16.980 6.749 475 H ASP 60 H ASP 60 0.558 -21.060 3.161 476 HA ASP 60 HA ASP 60 -0.810 -22.850 3.545 477 HB2 ASP 60 2HB ASP 60 -2.676 -20.557 3.236 478 HB3 ASP 60 1HB ASP 60 -3.371 -22.176 3.195 479 H ASN 61 H ASN 61 0.346 -22.877 1.067 480 HA ASN 61 HA ASN 61 0.209 -24.036 -0.908 481 HB2 ASN 61 2HB ASN 61 -1.126 -25.603 0.577 482 HB3 ASN 61 1HB ASN 61 -2.575 -24.842 -0.077 483 HD21 ASN 61 1HD2 ASN 61 -2.311 -27.526 -0.630 484 HD22 ASN 61 2HD2 ASN 61 -1.855 -27.766 -2.247 485 H THR 62 H THR 62 -1.964 -21.553 -0.096 486 HA THR 62 HA THR 62 -2.610 -21.222 -2.965 487 HB THR 62 HB THR 62 -4.480 -20.419 -0.757 488 HG1 THR 62 1HG THR 62 -4.767 -22.509 -0.642 489 HG21 THR 62 3HG2 THR 62 -4.777 -20.706 -3.765 490 HG22 THR 62 1HG2 THR 62 -4.760 -19.174 -2.872 491 HG23 THR 62 2HG2 THR 62 -6.096 -20.319 -2.664 492 H VAL 63 H VAL 63 -3.062 -19.044 -3.589 493 HA VAL 63 HA VAL 63 -1.249 -17.195 -2.388 494 HB VAL 63 HB VAL 63 -3.211 -17.096 -4.645 495 HG11 VAL 63 1HG1 VAL 63 -1.721 -14.729 -3.474 496 HG12 VAL 63 2HG1 VAL 63 -3.460 -14.967 -3.373 497 HG13 VAL 63 3HG1 VAL 63 -2.703 -14.714 -4.931 498 HG21 VAL 63 3HG2 VAL 63 -0.941 -17.981 -5.029 499 HG22 VAL 63 1HG2 VAL 63 -0.248 -16.497 -4.378 500 HG23 VAL 63 2HG2 VAL 63 -1.165 -16.455 -5.884 501 H LEU 64 H LEU 64 -1.691 -16.018 -0.606 502 HA LEU 64 HA LEU 64 -4.363 -16.012 0.449 503 HB2 LEU 64 2HB LEU 64 -1.776 -15.557 1.488 504 HB3 LEU 64 1HB LEU 64 -2.663 -14.051 1.708 505 HG LEU 64 HG LEU 64 -4.568 -15.738 2.544 506 HD11 LEU 64 1HD1 LEU 64 -2.619 -17.561 2.048 507 HD12 LEU 64 2HD1 LEU 64 -3.833 -17.773 3.310 508 HD13 LEU 64 3HD1 LEU 64 -2.235 -17.149 3.722 509 HD21 LEU 64 3HD2 LEU 64 -2.239 -14.469 3.931 510 HD22 LEU 64 1HD2 LEU 64 -3.295 -15.524 4.869 511 HD23 LEU 64 2HD2 LEU 64 -3.958 -14.101 4.067 512 H ALA 65 H ALA 65 -2.695 -14.158 -1.847 513 HA ALA 65 HA ALA 65 -4.934 -12.299 -1.950 514 HB1 ALA 65 1HB ALA 65 -3.953 -10.559 -0.960 515 HB2 ALA 65 2HB ALA 65 -2.643 -10.626 -2.140 516 HB3 ALA 65 3HB ALA 65 -2.522 -11.539 -0.637 517 H ILE 66 H ILE 66 -5.396 -11.713 -3.960 518 HA ILE 66 HA ILE 66 -3.395 -12.218 -6.093 519 HB ILE 66 HB ILE 66 -6.391 -12.646 -6.028 520 HG12 ILE 66 2HG1 ILE 66 -5.550 -14.827 -7.182 521 HG13 ILE 66 1HG1 ILE 66 -3.972 -14.367 -6.559 522 HG21 ILE 66 1HG2 ILE 66 -6.390 -11.741 -8.114 523 HG22 ILE 66 2HG2 ILE 66 -5.670 -13.282 -8.580 524 HG23 ILE 66 3HG2 ILE 66 -4.640 -11.883 -8.281 525 HD11 ILE 66 3HD1 ILE 66 -5.183 -14.109 -4.275 526 HD12 ILE 66 1HD1 ILE 66 -4.883 -15.761 -4.838 527 HD13 ILE 66 2HD1 ILE 66 -6.483 -15.030 -5.019 528 H LEU 67 H LEU 67 -2.645 -10.154 -6.608 529 HA LEU 67 HA LEU 67 -4.740 -8.168 -7.195 530 HB2 LEU 67 2HB LEU 67 -2.709 -6.565 -6.387 531 HB3 LEU 67 1HB LEU 67 -4.067 -7.043 -5.372 532 HG LEU 67 HG LEU 67 -2.679 -9.057 -4.678 533 HD11 LEU 67 1HD1 LEU 67 -1.154 -8.445 -6.791 534 HD12 LEU 67 2HD1 LEU 67 -0.500 -9.282 -5.382 535 HD13 LEU 67 3HD1 LEU 67 -0.269 -7.543 -5.562 536 HD21 LEU 67 3HD2 LEU 67 -1.158 -7.639 -3.211 537 HD22 LEU 67 1HD2 LEU 67 -2.866 -7.208 -3.149 538 HD23 LEU 67 2HD2 LEU 67 -1.745 -6.233 -4.098 539 H GLY 68 H GLY 68 -4.066 -6.381 -8.568 540 HA2 GLY 68 2HA GLY 68 -1.839 -7.060 -10.381 541 HA3 GLY 68 1HA GLY 68 -3.433 -6.685 -11.027 542 H LYS 69 H LYS 69 -2.567 -4.909 -12.184 543 HA LYS 69 HA LYS 69 -1.001 -2.844 -11.327 544 HB2 LYS 69 2HB LYS 69 -3.388 -2.378 -13.087 545 HB3 LYS 69 1HB LYS 69 -1.792 -1.648 -13.162 546 HG2 LYS 69 2HG LYS 69 -1.640 -3.211 -14.881 547 HG3 LYS 69 1HG LYS 69 -0.981 -4.122 -13.523 548 HD2 LYS 69 2HD LYS 69 -2.557 -5.680 -13.932 549 HD3 LYS 69 1HD LYS 69 -3.746 -4.517 -13.347 550 HE2 LYS 69 2HE LYS 69 -4.569 -5.005 -15.478 551 HE3 LYS 69 1HE LYS 69 -3.605 -3.561 -15.789 552 HZ1 LYS 69 3HZ LYS 69 -2.670 -4.861 -17.342 553 HZ2 LYS 69 1HZ LYS 69 -3.143 -6.307 -16.592 554 HZ3 LYS 69 2HZ LYS 69 -1.767 -5.476 -16.042 555 H GLY 70 H GLY 70 -1.182 -1.075 -10.133 556 HA2 GLY 70 2HA GLY 70 -2.146 0.710 -9.016 557 HA3 GLY 70 1HA GLY 70 -3.729 0.080 -9.412 558 H ASP 71 H ASP 71 -2.910 -2.613 -8.324 559 HA ASP 71 HA ASP 71 -4.083 -2.494 -5.845 560 HB2 ASP 71 2HB ASP 71 -3.334 -4.668 -5.482 561 HB3 ASP 71 1HB ASP 71 -3.304 -4.539 -7.239 562 H LEU 72 H LEU 72 -3.487 -1.987 -3.815 563 HA LEU 72 HA LEU 72 -0.798 -0.855 -3.472 564 HB2 LEU 72 2HB LEU 72 -2.523 0.740 -2.954 565 HB3 LEU 72 1HB LEU 72 -3.383 -0.428 -1.955 566 HG LEU 72 HG LEU 72 -1.246 -0.490 -0.502 567 HD11 LEU 72 1HD1 LEU 72 0.032 0.767 -2.375 568 HD12 LEU 72 2HD1 LEU 72 0.328 1.228 -0.699 569 HD13 LEU 72 3HD1 LEU 72 -0.738 2.206 -1.704 570 HD21 LEU 72 3HD2 LEU 72 -3.409 1.458 -0.657 571 HD22 LEU 72 1HD2 LEU 72 -1.982 2.117 0.138 572 HD23 LEU 72 2HD2 LEU 72 -2.736 0.648 0.755 573 H ILE 73 H ILE 73 0.455 -1.382 -1.681 574 HA ILE 73 HA ILE 73 -0.332 -3.865 -0.291 575 HB ILE 73 HB ILE 73 1.573 -4.843 -0.937 576 HG12 ILE 73 2HG1 ILE 73 3.794 -3.706 -0.722 577 HG13 ILE 73 1HG1 ILE 73 2.921 -2.296 -0.111 578 HG21 ILE 73 1HG2 ILE 73 0.843 -3.463 -2.926 579 HG22 ILE 73 2HG2 ILE 73 2.498 -4.075 -2.963 580 HG23 ILE 73 3HG2 ILE 73 2.176 -2.392 -2.548 581 HD11 ILE 73 3HD1 ILE 73 2.055 -4.762 1.184 582 HD12 ILE 73 1HD1 ILE 73 2.634 -3.270 1.910 583 HD13 ILE 73 2HD1 ILE 73 3.786 -4.490 1.391 584 H GLY 74 H GLY 74 -0.070 -3.980 1.781 585 HA2 GLY 74 2HA GLY 74 1.245 -3.221 3.786 586 HA3 GLY 74 1HA GLY 74 0.929 -1.585 3.214 587 H SER 75 H SER 75 0.173 -2.869 5.770 588 HA SER 75 HA SER 75 -2.675 -3.307 5.677 589 HB2 SER 75 2HB SER 75 -1.897 -2.761 8.328 590 HB3 SER 75 1HB SER 75 -2.167 -4.341 7.597 591 HG SER 75 HG SER 75 0.238 -2.849 7.765 592 H ASP 76 H ASP 76 -4.296 -1.910 6.134 593 HA ASP 76 HA ASP 76 -3.847 0.883 5.904 594 HB2 ASP 76 2HB ASP 76 -6.200 1.123 6.211 595 HB3 ASP 76 1HB ASP 76 -5.978 -0.385 5.325 596 H SER 77 H SER 77 -5.342 2.142 7.798 597 HA SER 77 HA SER 77 -5.218 3.034 9.916 598 HB2 SER 77 2HB SER 77 -5.157 1.522 11.754 599 HB3 SER 77 1HB SER 77 -5.973 0.657 10.456 600 HG SER 77 HG SER 77 -3.240 0.415 10.430 601 H LEU 78 H LEU 78 -3.026 3.424 8.257 602 HA LEU 78 HA LEU 78 -0.516 2.734 9.137 603 HB2 LEU 78 2HB LEU 78 -1.638 5.130 7.768 604 HB3 LEU 78 1HB LEU 78 0.007 5.239 8.394 605 HG LEU 78 HG LEU 78 0.669 3.263 7.141 606 HD11 LEU 78 1HD1 LEU 78 -2.267 3.005 6.828 607 HD12 LEU 78 2HD1 LEU 78 -1.034 1.752 6.957 608 HD13 LEU 78 3HD1 LEU 78 -1.305 2.569 5.418 609 HD21 LEU 78 3HD2 LEU 78 -0.838 5.380 5.589 610 HD22 LEU 78 1HD2 LEU 78 0.052 4.090 4.773 611 HD23 LEU 78 2HD2 LEU 78 0.905 5.214 5.821 612 H THR 79 H THR 79 -2.864 4.248 10.948 613 HA THR 79 HA THR 79 -1.085 5.852 12.598 614 HB THR 79 HB THR 79 -3.904 5.128 13.345 615 HG1 THR 79 1HG THR 79 -3.767 5.771 11.091 616 HG21 THR 79 3HG2 THR 79 -3.776 7.588 14.055 617 HG22 THR 79 1HG2 THR 79 -2.049 7.479 13.720 618 HG23 THR 79 2HG2 THR 79 -2.773 6.456 14.961 619 H LYS 80 H LYS 80 -1.502 2.674 12.218 620 HA LYS 80 HA LYS 80 -1.738 1.800 14.960 621 HB2 LYS 80 2HB LYS 80 -2.569 0.408 13.113 622 HB3 LYS 80 1HB LYS 80 -0.935 0.287 12.464 623 HG2 LYS 80 2HG LYS 80 -0.928 -0.421 15.261 624 HG3 LYS 80 1HG LYS 80 -2.130 -1.383 14.403 625 HD2 LYS 80 2HD LYS 80 -0.546 -2.323 12.956 626 HD3 LYS 80 1HD LYS 80 0.615 -1.025 13.223 627 HE2 LYS 80 2HE LYS 80 1.582 -2.183 14.877 628 HE3 LYS 80 1HE LYS 80 0.047 -2.298 15.733 629 HZ1 LYS 80 3HZ LYS 80 0.326 -4.478 15.321 630 HZ2 LYS 80 1HZ LYS 80 1.349 -4.222 13.992 631 HZ3 LYS 80 2HZ LYS 80 -0.335 -4.082 13.806 632 H GLU 81 H GLU 81 0.420 3.677 14.333 633 HA GLU 81 HA GLU 81 2.787 3.782 14.300 634 HB2 GLU 81 2HB GLU 81 2.210 2.457 16.954 635 HB3 GLU 81 1HB GLU 81 3.505 3.595 16.580 636 HG2 GLU 81 2HG GLU 81 1.747 5.307 16.029 637 HG3 GLU 81 1HG GLU 81 0.531 4.173 16.613 638 H GLN 82 H GLN 82 4.251 1.980 16.184 639 HA GLN 82 HA GLN 82 5.902 0.407 15.661 640 HB2 GLN 82 2HB GLN 82 3.693 -0.544 16.908 641 HB3 GLN 82 1HB GLN 82 3.812 -1.628 15.529 642 HG2 GLN 82 2HG GLN 82 5.076 -2.512 17.432 643 HG3 GLN 82 1HG GLN 82 6.120 -2.135 16.069 644 HE21 GLN 82 1HE2 GLN 82 4.742 0.283 18.308 645 HE22 GLN 82 2HE2 GLN 82 6.234 0.769 18.954 646 H VAL 83 H VAL 83 6.381 -1.697 14.445 647 HA VAL 83 HA VAL 83 5.993 -1.113 11.614 648 HB VAL 83 HB VAL 83 7.889 -2.397 11.207 649 HG11 VAL 83 1HG1 VAL 83 8.113 -1.297 14.021 650 HG12 VAL 83 2HG1 VAL 83 8.568 -0.493 12.519 651 HG13 VAL 83 3HG1 VAL 83 9.494 -1.880 13.093 652 HG21 VAL 83 3HG2 VAL 83 7.497 -4.520 12.049 653 HG22 VAL 83 1HG2 VAL 83 6.959 -3.914 13.615 654 HG23 VAL 83 2HG2 VAL 83 8.679 -3.950 13.228 655 H ILE 84 H ILE 84 5.010 -2.447 10.149 656 HA ILE 84 HA ILE 84 3.354 -4.596 11.282 657 HB ILE 84 HB ILE 84 3.207 -3.190 8.605 658 HG12 ILE 84 2HG1 ILE 84 0.859 -2.788 10.060 659 HG13 ILE 84 1HG1 ILE 84 2.138 -2.622 11.263 660 HG21 ILE 84 1HG2 ILE 84 0.824 -4.606 9.373 661 HG22 ILE 84 2HG2 ILE 84 2.194 -5.715 9.428 662 HG23 ILE 84 3HG2 ILE 84 1.827 -4.839 7.942 663 HD11 ILE 84 3HD1 ILE 84 3.311 -1.029 9.738 664 HD12 ILE 84 1HD1 ILE 84 1.725 -0.448 10.244 665 HD13 ILE 84 2HD1 ILE 84 1.940 -1.130 8.633 666 H LYS 85 H LYS 85 3.984 -6.577 11.126 667 HA LYS 85 HA LYS 85 6.070 -7.268 9.210 668 HB2 LYS 85 2HB LYS 85 5.045 -9.386 10.964 669 HB3 LYS 85 1HB LYS 85 6.698 -8.853 10.690 670 HG2 LYS 85 2HG LYS 85 5.995 -6.741 12.037 671 HG3 LYS 85 1HG LYS 85 4.676 -7.759 12.605 672 HD2 LYS 85 2HD LYS 85 6.336 -9.466 13.331 673 HD3 LYS 85 1HD LYS 85 7.632 -8.373 12.844 674 HE2 LYS 85 2HE LYS 85 6.277 -8.430 15.326 675 HE3 LYS 85 1HE LYS 85 7.478 -7.261 14.783 676 HZ1 LYS 85 3HZ LYS 85 5.504 -6.197 13.562 677 HZ2 LYS 85 1HZ LYS 85 5.641 -5.957 15.235 678 HZ3 LYS 85 2HZ LYS 85 4.539 -7.099 14.629 679 H THR 86 H THR 86 5.879 -9.427 8.207 680 HA THR 86 HA THR 86 3.151 -9.853 7.149 681 HB THR 86 HB THR 86 5.799 -10.203 5.726 682 HG1 THR 86 1HG THR 86 5.506 -8.212 5.199 683 HG21 THR 86 3HG2 THR 86 2.946 -10.813 5.010 684 HG22 THR 86 1HG2 THR 86 4.389 -11.787 4.755 685 HG23 THR 86 2HG2 THR 86 4.097 -10.372 3.749 686 H ASN 87 H ASN 87 2.327 -11.851 7.299 687 HA ASN 87 HA ASN 87 4.039 -13.956 8.435 688 HB2 ASN 87 2HB ASN 87 1.665 -13.105 9.320 689 HB3 ASN 87 1HB ASN 87 1.101 -14.322 8.176 690 HD21 ASN 87 1HD2 ASN 87 0.395 -15.717 9.970 691 HD22 ASN 87 2HD2 ASN 87 1.530 -16.568 10.902 692 H ALA 88 H ALA 88 2.601 -13.033 5.498 693 HA ALA 88 HA ALA 88 2.680 -15.794 4.466 694 HB1 ALA 88 1HB ALA 88 1.600 -14.262 2.443 695 HB2 ALA 88 2HB ALA 88 0.976 -13.470 3.893 696 HB3 ALA 88 3HB ALA 88 0.660 -15.187 3.624 697 H ASN 89 H ASN 89 3.152 -15.498 1.875 698 HA ASN 89 HA ASN 89 5.774 -14.128 1.801 699 HB2 ASN 89 2HB ASN 89 4.887 -16.390 -0.010 700 HB3 ASN 89 1HB ASN 89 6.524 -15.798 0.263 701 HD21 ASN 89 1HD2 ASN 89 7.312 -17.866 1.053 702 HD22 ASN 89 2HD2 ASN 89 6.816 -18.493 2.550 703 H VAL 90 H VAL 90 6.369 -13.341 -0.462 704 HA VAL 90 HA VAL 90 4.044 -12.561 -2.043 705 HB VAL 90 HB VAL 90 5.916 -10.813 -0.569 706 HG11 VAL 90 1HG1 VAL 90 6.527 -10.425 -2.866 707 HG12 VAL 90 2HG1 VAL 90 5.659 -9.030 -2.230 708 HG13 VAL 90 3HG1 VAL 90 4.847 -10.167 -3.314 709 HG21 VAL 90 3HG2 VAL 90 3.979 -9.767 0.049 710 HG22 VAL 90 1HG2 VAL 90 3.212 -11.252 -0.515 711 HG23 VAL 90 2HG2 VAL 90 3.311 -9.850 -1.580 712 H LYS 91 H LYS 91 4.331 -13.054 -4.063 713 HA LYS 91 HA LYS 91 7.061 -12.966 -5.153 714 HB2 LYS 91 2HB LYS 91 6.554 -15.311 -4.712 715 HB3 LYS 91 1HB LYS 91 5.035 -15.169 -5.598 716 HG2 LYS 91 2HG LYS 91 6.291 -14.586 -7.649 717 HG3 LYS 91 1HG LYS 91 7.806 -14.761 -6.762 718 HD2 LYS 91 2HD LYS 91 7.674 -16.888 -7.630 719 HD3 LYS 91 1HD LYS 91 6.718 -17.141 -6.172 720 HE2 LYS 91 2HE LYS 91 4.709 -16.365 -7.655 721 HE3 LYS 91 1HE LYS 91 5.774 -16.765 -9.003 722 HZ1 LYS 91 3HZ LYS 91 5.971 -18.861 -7.220 723 HZ2 LYS 91 1HZ LYS 91 5.182 -18.866 -8.722 724 HZ3 LYS 91 2HZ LYS 91 4.313 -18.500 -7.308 725 H ALA 92 H ALA 92 7.115 -11.579 -6.783 726 HA ALA 92 HA ALA 92 4.779 -10.525 -8.018 727 HB1 ALA 92 1HB ALA 92 6.685 -9.103 -7.996 728 HB2 ALA 92 2HB ALA 92 6.505 -9.600 -9.678 729 HB3 ALA 92 3HB ALA 92 7.725 -10.363 -8.660 730 H LEU 93 H LEU 93 3.550 -11.565 -9.441 731 HA LEU 93 HA LEU 93 4.345 -14.009 -10.675 732 HB2 LEU 93 2HB LEU 93 1.936 -12.409 -10.425 733 HB3 LEU 93 1HB LEU 93 2.114 -13.046 -12.060 734 HG LEU 93 HG LEU 93 2.265 -15.301 -11.260 735 HD11 LEU 93 1HD1 LEU 93 1.893 -15.332 -8.542 736 HD12 LEU 93 2HD1 LEU 93 2.950 -13.934 -8.735 737 HD13 LEU 93 3HD1 LEU 93 3.458 -15.512 -9.333 738 HD21 LEU 93 3HD2 LEU 93 -0.012 -14.722 -11.355 739 HD22 LEU 93 1HD2 LEU 93 0.114 -13.620 -9.984 740 HD23 LEU 93 2HD2 LEU 93 0.155 -15.364 -9.720 741 H THR 94 H THR 94 3.766 -10.724 -11.878 742 HA THR 94 HA THR 94 5.437 -11.357 -14.231 743 HB THR 94 HB THR 94 4.017 -9.974 -15.619 744 HG1 THR 94 1HG THR 94 3.426 -8.540 -13.892 745 HG21 THR 94 3HG2 THR 94 2.413 -11.927 -13.948 746 HG22 THR 94 1HG2 THR 94 3.324 -12.301 -15.410 747 HG23 THR 94 2HG2 THR 94 1.894 -11.273 -15.501 748 H TYR 95 H TYR 95 6.728 -9.614 -14.992 749 HA TYR 95 HA TYR 95 8.002 -8.071 -13.117 750 HB2 TYR 95 2HB TYR 95 7.954 -6.494 -15.464 751 HB3 TYR 95 1HB TYR 95 9.216 -7.613 -14.945 752 HD1 TYR 95 2HD TYR 95 5.689 -8.118 -16.135 753 HD2 TYR 95 1HD TYR 95 9.859 -8.955 -16.740 754 HE1 TYR 95 2HE TYR 95 5.113 -9.634 -18.012 755 HE2 TYR 95 1HE TYR 95 9.283 -10.469 -18.616 756 HH TYR 95 HH TYR 95 7.596 -11.563 -19.643 757 H CYS 96 H CYS 96 7.371 -6.462 -11.837 758 HA CYS 96 HA CYS 96 5.311 -4.610 -12.824 759 HB2 CYS 96 2HB CYS 96 4.326 -6.459 -11.367 760 HB3 CYS 96 1HB CYS 96 5.224 -5.743 -10.030 761 HG CYS 96 HG CYS 96 3.880 -3.440 -10.736 762 H ASP 97 H ASP 97 5.539 -2.526 -12.189 763 HA ASP 97 HA ASP 97 8.030 -1.825 -10.837 764 HB2 ASP 97 2HB ASP 97 7.402 -0.577 -12.852 765 HB3 ASP 97 1HB ASP 97 5.880 -0.102 -12.099 766 H LEU 98 H LEU 98 8.143 -1.302 -8.734 767 HA LEU 98 HA LEU 98 5.595 -0.850 -7.303 768 HB2 LEU 98 2HB LEU 98 8.211 -1.922 -6.233 769 HB3 LEU 98 1HB LEU 98 6.729 -1.704 -5.308 770 HG LEU 98 HG LEU 98 7.295 -3.687 -7.507 771 HD11 LEU 98 1HD1 LEU 98 6.014 -3.911 -4.772 772 HD12 LEU 98 2HD1 LEU 98 7.711 -4.254 -5.111 773 HD13 LEU 98 3HD1 LEU 98 6.446 -5.253 -5.830 774 HD21 LEU 98 3HD2 LEU 98 4.801 -4.245 -7.271 775 HD22 LEU 98 1HD2 LEU 98 5.187 -2.802 -8.205 776 HD23 LEU 98 2HD2 LEU 98 4.619 -2.650 -6.542 777 H GLN 99 H GLN 99 5.290 0.979 -6.224 778 HA GLN 99 HA GLN 99 7.596 2.807 -5.895 779 HB2 GLN 99 2HB GLN 99 4.653 3.537 -5.913 780 HB3 GLN 99 1HB GLN 99 6.026 4.644 -5.944 781 HG2 GLN 99 2HG GLN 99 6.350 4.371 -8.175 782 HG3 GLN 99 1HG GLN 99 6.049 2.637 -8.100 783 HE21 GLN 99 1HE2 GLN 99 3.812 1.899 -8.310 784 HE22 GLN 99 2HE2 GLN 99 2.595 2.933 -8.883 785 H TYR 100 H TYR 100 8.141 3.311 -3.788 786 HA TYR 100 HA TYR 100 6.140 2.984 -1.708 787 HB2 TYR 100 2HB TYR 100 7.261 1.334 -0.424 788 HB3 TYR 100 1HB TYR 100 7.139 0.687 -2.053 789 HD1 TYR 100 2HD TYR 100 9.478 2.650 -3.083 790 HD2 TYR 100 1HD TYR 100 9.082 -0.139 0.156 791 HE1 TYR 100 2HE TYR 100 11.927 2.291 -3.082 792 HE2 TYR 100 1HE TYR 100 11.526 -0.505 0.132 793 HH TYR 100 HH TYR 100 13.421 -0.179 -1.892 794 H ILE 101 H ILE 101 6.966 3.462 0.439 795 HA ILE 101 HA ILE 101 9.362 5.071 0.621 796 HB ILE 101 HB ILE 101 8.366 7.048 0.270 797 HG12 ILE 101 2HG1 ILE 101 8.063 6.879 2.808 798 HG13 ILE 101 1HG1 ILE 101 6.972 7.983 1.977 799 HG21 ILE 101 1HG2 ILE 101 5.882 5.356 0.235 800 HG22 ILE 101 2HG2 ILE 101 6.731 6.063 -1.145 801 HG23 ILE 101 3HG2 ILE 101 5.822 7.098 -0.040 802 HD11 ILE 101 3HD1 ILE 101 6.178 5.939 3.671 803 HD12 ILE 101 1HD1 ILE 101 5.945 5.241 2.069 804 HD13 ILE 101 2HD1 ILE 101 5.143 6.746 2.494 805 H SER 102 H SER 102 9.878 5.589 2.863 806 HA SER 102 HA SER 102 8.991 3.501 4.632 807 HB2 SER 102 2HB SER 102 10.484 4.560 6.272 808 HB3 SER 102 1HB SER 102 11.300 4.343 4.725 809 HG SER 102 HG SER 102 10.089 6.711 5.728 810 H LEU 103 H LEU 103 7.270 3.570 5.928 811 HA LEU 103 HA LEU 103 5.369 5.567 5.969 812 HB2 LEU 103 2HB LEU 103 5.586 3.106 7.136 813 HB3 LEU 103 1HB LEU 103 5.687 4.162 8.545 814 HG LEU 103 HG LEU 103 3.345 3.574 8.070 815 HD11 LEU 103 1HD1 LEU 103 4.167 5.944 8.822 816 HD12 LEU 103 2HD1 LEU 103 2.487 5.738 8.325 817 HD13 LEU 103 3HD1 LEU 103 3.657 6.437 7.207 818 HD21 LEU 103 3HD2 LEU 103 4.156 3.779 5.406 819 HD22 LEU 103 1HD2 LEU 103 3.098 5.171 5.639 820 HD23 LEU 103 2HD2 LEU 103 2.503 3.545 5.971 821 H LYS 104 H LYS 104 8.300 5.255 7.859 822 HA LYS 104 HA LYS 104 7.740 7.339 9.724 823 HB2 LYS 104 2HB LYS 104 10.218 5.900 8.836 824 HB3 LYS 104 1HB LYS 104 10.333 7.316 9.886 825 HG2 LYS 104 2HG LYS 104 8.285 5.332 10.663 826 HG3 LYS 104 1HG LYS 104 9.951 4.791 10.810 827 HD2 LYS 104 2HD LYS 104 10.506 6.479 12.344 828 HD3 LYS 104 1HD LYS 104 9.135 7.482 11.872 829 HE2 LYS 104 2HE LYS 104 7.579 5.890 12.889 830 HE3 LYS 104 1HE LYS 104 8.915 4.814 13.298 831 HZ1 LYS 104 3HZ LYS 104 8.552 7.585 14.302 832 HZ2 LYS 104 1HZ LYS 104 9.848 6.561 14.686 833 HZ3 LYS 104 2HZ LYS 104 8.274 6.163 15.188 834 H GLY 105 H GLY 105 9.261 7.160 6.562 835 HA2 GLY 105 2HA GLY 105 10.302 9.798 6.450 836 HA3 GLY 105 1HA GLY 105 9.966 8.752 5.078 837 H LEU 106 H LEU 106 7.279 8.359 5.253 838 HA LEU 106 HA LEU 106 6.299 10.740 4.078 839 HB2 LEU 106 2HB LEU 106 5.417 8.742 3.243 840 HB3 LEU 106 1HB LEU 106 4.995 8.151 4.848 841 HG LEU 106 HG LEU 106 3.796 10.749 4.089 842 HD11 LEU 106 1HD1 LEU 106 3.408 9.837 1.969 843 HD12 LEU 106 2HD1 LEU 106 1.970 9.330 2.853 844 HD13 LEU 106 3HD1 LEU 106 3.291 8.191 2.590 845 HD21 LEU 106 3HD2 LEU 106 1.789 9.534 5.068 846 HD22 LEU 106 1HD2 LEU 106 3.154 9.717 6.167 847 HD23 LEU 106 2HD2 LEU 106 2.865 8.170 5.374 848 H ARG 107 H ARG 107 5.660 9.221 7.231 849 HA ARG 107 HA ARG 107 3.643 11.079 7.914 850 HB2 ARG 107 2HB ARG 107 3.695 8.953 9.042 851 HB3 ARG 107 1HB ARG 107 5.306 9.274 9.658 852 HG2 ARG 107 2HG ARG 107 3.670 9.699 11.417 853 HG3 ARG 107 1HG ARG 107 4.413 11.222 10.925 854 HD2 ARG 107 2HD ARG 107 2.398 12.041 10.366 855 HD3 ARG 107 1HD ARG 107 2.177 10.720 9.226 856 HE ARG 107 HE ARG 107 0.574 9.989 10.720 857 HH11 ARG 107 1HH2 ARG 107 3.273 11.346 12.408 858 HH12 ARG 107 2HH2 ARG 107 2.662 10.955 13.981 859 HH21 ARG 107 1HH1 ARG 107 -0.232 9.472 12.776 860 HH22 ARG 107 2HH1 ARG 107 0.676 9.894 14.189 861 H GLU 108 H GLU 108 7.094 11.160 8.258 862 HA GLU 108 HA GLU 108 7.234 13.260 10.183 863 HB2 GLU 108 2HB GLU 108 9.100 11.636 9.377 864 HB3 GLU 108 1HB GLU 108 9.328 12.802 8.074 865 HG2 GLU 108 2HG GLU 108 9.549 14.603 9.809 866 HG3 GLU 108 1HG GLU 108 9.503 13.350 11.048 867 H VAL 109 H VAL 109 7.612 13.176 6.677 868 HA VAL 109 HA VAL 109 7.820 15.929 6.194 869 HB VAL 109 HB VAL 109 6.902 15.187 3.883 870 HG11 VAL 109 1HG1 VAL 109 9.266 15.261 4.035 871 HG12 VAL 109 2HG1 VAL 109 8.963 13.555 3.671 872 HG13 VAL 109 3HG1 VAL 109 9.291 14.058 5.325 873 HG21 VAL 109 3HG2 VAL 109 6.983 12.685 3.660 874 HG22 VAL 109 1HG2 VAL 109 5.563 13.360 4.454 875 HG23 VAL 109 2HG2 VAL 109 6.833 12.613 5.410 876 H LEU 110 H LEU 110 4.986 13.791 6.043 877 HA LEU 110 HA LEU 110 3.089 15.820 5.620 878 HB2 LEU 110 2HB LEU 110 3.099 13.030 5.972 879 HB3 LEU 110 1HB LEU 110 2.033 13.636 7.206 880 HG LEU 110 HG LEU 110 0.729 14.850 5.514 881 HD11 LEU 110 1HD1 LEU 110 3.144 14.439 3.996 882 HD12 LEU 110 2HD1 LEU 110 1.805 15.532 3.662 883 HD13 LEU 110 3HD1 LEU 110 1.753 13.866 3.084 884 HD21 LEU 110 3HD2 LEU 110 -0.323 13.001 4.576 885 HD22 LEU 110 1HD2 LEU 110 0.574 12.238 5.890 886 HD23 LEU 110 2HD2 LEU 110 1.197 12.176 4.241 887 H ARG 111 H ARG 111 4.825 14.760 8.442 888 HA ARG 111 HA ARG 111 3.211 15.830 10.472 889 HB2 ARG 111 2HB ARG 111 5.542 14.546 10.547 890 HB3 ARG 111 1HB ARG 111 6.167 16.191 10.663 891 HG2 ARG 111 2HG ARG 111 4.366 16.524 12.494 892 HG3 ARG 111 1HG ARG 111 4.285 14.763 12.534 893 HD2 ARG 111 2HD ARG 111 6.883 14.892 12.730 894 HD3 ARG 111 1HD ARG 111 6.600 16.561 13.215 895 HE ARG 111 HE ARG 111 6.101 14.220 14.798 896 HH11 ARG 111 1HH2 ARG 111 5.056 17.441 14.083 897 HH12 ARG 111 2HH2 ARG 111 4.344 17.703 15.641 898 HH21 ARG 111 1HH1 ARG 111 5.171 14.557 16.841 899 HH22 ARG 111 2HH1 ARG 111 4.410 16.071 17.202 900 H LEU 112 H LEU 112 5.489 17.334 8.218 901 HA LEU 112 HA LEU 112 5.496 19.922 9.389 902 HB2 LEU 112 2HB LEU 112 5.914 18.949 6.558 903 HB3 LEU 112 1HB LEU 112 5.890 20.668 6.938 904 HG LEU 112 HG LEU 112 8.195 19.751 6.973 905 HD11 LEU 112 1HD1 LEU 112 7.769 20.242 9.845 906 HD12 LEU 112 2HD1 LEU 112 7.005 21.436 8.795 907 HD13 LEU 112 3HD1 LEU 112 8.741 21.145 8.683 908 HD21 LEU 112 3HD2 LEU 112 7.563 18.258 9.487 909 HD22 LEU 112 1HD2 LEU 112 8.823 17.955 8.289 910 HD23 LEU 112 2HD2 LEU 112 7.155 17.491 7.951 911 H TYR 113 H TYR 113 3.271 18.043 7.596 912 HA TYR 113 HA TYR 113 1.298 20.270 7.627 913 HB2 TYR 113 2HB TYR 113 2.121 19.155 5.338 914 HB3 TYR 113 1HB TYR 113 0.917 17.947 5.788 915 HD1 TYR 113 2HD TYR 113 -1.395 18.936 6.637 916 HD2 TYR 113 1HD TYR 113 1.412 21.050 4.168 917 HE1 TYR 113 2HE TYR 113 -3.205 20.448 5.875 918 HE2 TYR 113 1HE TYR 113 -0.398 22.564 3.406 919 HH TYR 113 HH TYR 113 -3.387 22.016 3.444 920 HA PRO 114 HA PRO 114 0.179 16.941 10.657 921 HB2 PRO 114 2HB PRO 114 -1.112 19.194 12.041 922 HB3 PRO 114 1HB PRO 114 0.084 18.032 12.637 923 HG2 PRO 114 2HG PRO 114 0.688 20.597 12.138 924 HG3 PRO 114 1HG PRO 114 1.852 19.279 11.925 925 HD2 PRO 114 2HD PRO 114 0.304 20.780 9.845 926 HD3 PRO 114 1HD PRO 114 1.959 20.141 9.782 927 H GLU 115 H GLU 115 -2.063 19.540 9.569 928 HA GLU 115 HA GLU 115 -4.419 18.249 10.375 929 HB2 GLU 115 2HB GLU 115 -4.110 20.037 7.957 930 HB3 GLU 115 1HB GLU 115 -5.580 19.754 8.893 931 HG2 GLU 115 2HG GLU 115 -4.917 21.124 10.602 932 HG3 GLU 115 1HG GLU 115 -3.217 20.687 10.430 933 H TYR 116 H TYR 116 -2.985 18.281 7.092 934 HA TYR 116 HA TYR 116 -4.830 16.274 6.188 935 HB2 TYR 116 2HB TYR 116 -2.968 18.050 4.968 936 HB3 TYR 116 1HB TYR 116 -2.566 16.412 4.458 937 HD1 TYR 116 1HD TYR 116 -5.243 18.966 4.573 938 HD2 TYR 116 2HD TYR 116 -4.073 15.109 3.091 939 HE1 TYR 116 1HE TYR 116 -7.216 18.946 3.072 940 HE2 TYR 116 2HE TYR 116 -6.047 15.087 1.588 941 HH TYR 116 HH TYR 116 -8.139 16.092 1.288 942 H ALA 117 H ALA 117 -1.561 16.326 7.429 943 HA ALA 117 HA ALA 117 -0.729 13.772 6.686 944 HB1 ALA 117 1HB ALA 117 0.875 15.195 7.632 945 HB2 ALA 117 2HB ALA 117 0.650 13.921 8.832 946 HB3 ALA 117 3HB ALA 117 -0.107 15.494 9.063 947 H GLN 118 H GLN 118 -2.135 14.723 9.823 948 HA GLN 118 HA GLN 118 -2.417 12.165 10.860 949 HB2 GLN 118 2HB GLN 118 -4.193 14.597 11.199 950 HB3 GLN 118 1HB GLN 118 -4.301 13.149 12.186 951 HG2 GLN 118 2HG GLN 118 -1.943 15.020 11.963 952 HG3 GLN 118 1HG GLN 118 -2.950 14.729 13.379 953 HE21 GLN 118 1HE2 GLN 118 -0.486 13.230 11.279 954 HE22 GLN 118 2HE2 GLN 118 -0.033 12.035 12.394 955 H LYS 119 H LYS 119 -4.340 13.947 8.541 956 HA LYS 119 HA LYS 119 -6.497 12.058 8.424 957 HB2 LYS 119 2HB LYS 119 -6.497 14.540 7.714 958 HB3 LYS 119 1HB LYS 119 -5.759 13.966 6.218 959 HG2 LYS 119 2HG LYS 119 -8.022 13.859 5.673 960 HG3 LYS 119 1HG LYS 119 -7.729 12.220 6.258 961 HD2 LYS 119 2HD LYS 119 -8.619 12.768 8.439 962 HD3 LYS 119 1HD LYS 119 -8.740 14.475 8.011 963 HE2 LYS 119 2HE LYS 119 -10.934 13.321 7.847 964 HE3 LYS 119 1HE LYS 119 -10.403 13.951 6.288 965 HZ1 LYS 119 3HZ LYS 119 -10.630 11.903 5.509 966 HZ2 LYS 119 1HZ LYS 119 -10.908 11.266 7.056 967 HZ3 LYS 119 2HZ LYS 119 -9.318 11.431 6.480 968 H PHE 120 H PHE 120 -3.351 12.321 6.879 969 HA PHE 120 HA PHE 120 -3.781 10.882 4.542 970 HB2 PHE 120 2HB PHE 120 -1.611 11.275 4.300 971 HB3 PHE 120 1HB PHE 120 -1.589 11.912 5.937 972 HD1 PHE 120 1HD PHE 120 -1.210 8.754 3.958 973 HD2 PHE 120 2HD PHE 120 -0.423 10.788 7.663 974 HE1 PHE 120 1HE PHE 120 0.300 6.930 4.649 975 HE2 PHE 120 2HE PHE 120 1.065 8.945 8.362 976 HZ PHE 120 HZ PHE 120 1.433 7.017 6.860 977 H VAL 121 H VAL 121 -3.010 9.582 7.766 978 HA VAL 121 HA VAL 121 -2.665 6.925 7.050 979 HB VAL 121 HB VAL 121 -3.389 6.371 9.346 980 HG11 VAL 121 1HG1 VAL 121 -1.581 8.709 8.812 981 HG12 VAL 121 2HG1 VAL 121 -1.166 7.079 9.343 982 HG13 VAL 121 3HG1 VAL 121 -1.890 8.218 10.478 983 HG21 VAL 121 3HG2 VAL 121 -5.119 7.633 10.109 984 HG22 VAL 121 1HG2 VAL 121 -4.730 8.973 9.031 985 HG23 VAL 121 2HG2 VAL 121 -3.874 8.796 10.563 986 H SER 122 H SER 122 -5.645 8.747 7.576 987 HA SER 122 HA SER 122 -7.308 6.407 7.092 988 HB2 SER 122 2HB SER 122 -7.918 8.200 8.747 989 HB3 SER 122 1HB SER 122 -8.162 9.293 7.387 990 HG SER 122 HG SER 122 -9.549 6.920 8.051 991 H GLU 123 H GLU 123 -6.528 9.478 5.477 992 HA GLU 123 HA GLU 123 -8.252 9.265 3.294 993 HB2 GLU 123 2HB GLU 123 -6.852 11.265 3.900 994 HB3 GLU 123 1HB GLU 123 -5.464 10.427 3.207 995 HG2 GLU 123 2HG GLU 123 -6.086 11.018 1.131 996 HG3 GLU 123 1HG GLU 123 -7.676 10.299 1.366 997 H ILE 124 H ILE 124 -5.192 7.687 3.919 998 HA ILE 124 HA ILE 124 -4.476 6.845 1.363 999 HB ILE 124 HB ILE 124 -3.424 6.514 3.804 1000 HG12 ILE 124 2HG1 ILE 124 -3.063 4.927 1.267 1001 HG13 ILE 124 1HG1 ILE 124 -2.058 6.224 1.918 1002 HG21 ILE 124 1HG2 ILE 124 -3.633 4.278 4.607 1003 HG22 ILE 124 2HG2 ILE 124 -4.471 3.752 3.151 1004 HG23 ILE 124 3HG2 ILE 124 -5.279 4.819 4.298 1005 HD11 ILE 124 3HD1 ILE 124 -1.917 4.410 3.946 1006 HD12 ILE 124 1HD1 ILE 124 -0.738 4.510 2.639 1007 HD13 ILE 124 2HD1 ILE 124 -2.051 3.335 2.555 1008 H GLN 125 H GLN 125 -6.986 5.740 3.517 1009 HA GLN 125 HA GLN 125 -7.541 3.198 2.697 1010 HB2 GLN 125 2HB GLN 125 -9.802 3.546 3.433 1011 HB3 GLN 125 1HB GLN 125 -8.736 4.502 4.464 1012 HG2 GLN 125 2HG GLN 125 -10.376 6.044 3.913 1013 HG3 GLN 125 1HG GLN 125 -9.083 6.348 2.761 1014 HE21 GLN 125 1HE2 GLN 125 -11.386 7.266 1.769 1015 HE22 GLN 125 2HE2 GLN 125 -12.103 6.193 0.666 1016 H HIS 126 H HIS 126 -8.110 6.152 0.952 1017 HA HIS 126 HA HIS 126 -9.991 5.266 -0.917 1018 HB2 HIS 126 2HB HIS 126 -9.794 7.442 -1.386 1019 HB3 HIS 126 1HB HIS 126 -8.231 7.527 -0.587 1020 HD1 HIS 126 1HD HIS 126 -9.273 5.716 -3.786 1021 HD2 HIS 126 2HD HIS 126 -6.534 8.581 -2.494 1022 HE1 HIS 126 1HE HIS 126 -7.829 6.281 -5.789 1023 HE2 HIS 126 2HE HIS 126 -6.155 8.028 -5.019 1024 H ASP 127 H ASP 127 -6.636 4.473 -0.607 1025 HA ASP 127 HA ASP 127 -6.735 3.138 -3.250 1026 HB2 ASP 127 2HB ASP 127 -4.101 3.209 -2.769 1027 HB3 ASP 127 1HB ASP 127 -4.949 4.525 -3.579 1028 H LEU 128 H LEU 128 -7.397 2.304 -0.319 1029 HA LEU 128 HA LEU 128 -5.513 0.284 0.372 1030 HB2 LEU 128 2HB LEU 128 -7.850 1.399 1.503 1031 HB3 LEU 128 1HB LEU 128 -8.148 -0.331 1.349 1032 HG LEU 128 HG LEU 128 -7.061 0.229 3.510 1033 HD11 LEU 128 1HD1 LEU 128 -6.407 -1.796 1.730 1034 HD12 LEU 128 2HD1 LEU 128 -5.957 -1.744 3.436 1035 HD13 LEU 128 3HD1 LEU 128 -4.834 -1.157 2.210 1036 HD21 LEU 128 3HD2 LEU 128 -5.299 1.638 3.625 1037 HD22 LEU 128 1HD2 LEU 128 -5.558 1.978 1.915 1038 HD23 LEU 128 2HD2 LEU 128 -4.416 0.727 2.402 1039 H THR 129 H THR 129 -5.078 -1.326 -1.020 1040 HA THR 129 HA THR 129 -7.331 -2.682 -2.365 1041 HB THR 129 HB THR 129 -4.406 -3.047 -2.994 1042 HG1 THR 129 1HG THR 129 -5.855 -1.454 -4.670 1043 HG21 THR 129 3HG2 THR 129 -6.913 -4.097 -3.979 1044 HG22 THR 129 1HG2 THR 129 -5.268 -4.562 -4.407 1045 HG23 THR 129 2HG2 THR 129 -6.062 -3.240 -5.264 1046 H TYR 130 H TYR 130 -4.202 -3.414 -0.807 1047 HA TYR 130 HA TYR 130 -5.432 -5.843 0.335 1048 HB2 TYR 130 2HB TYR 130 -4.165 -6.924 -1.230 1049 HB3 TYR 130 1HB TYR 130 -3.057 -5.572 -1.421 1050 HD1 TYR 130 1HD TYR 130 -3.993 -7.661 1.602 1051 HD2 TYR 130 2HD TYR 130 -0.901 -6.296 -1.052 1052 HE1 TYR 130 1HE TYR 130 -2.327 -8.890 2.924 1053 HE2 TYR 130 2HE TYR 130 0.781 -7.507 0.306 1054 HH TYR 130 HH TYR 130 -0.144 -9.749 2.801 1055 H ASN 131 H ASN 131 -5.422 -5.591 2.447 1056 HA ASN 131 HA ASN 131 -3.494 -3.820 3.713 1057 HB2 ASN 131 2HB ASN 131 -4.875 -3.964 5.655 1058 HB3 ASN 131 1HB ASN 131 -5.962 -3.833 4.275 1059 HD21 ASN 131 1HD2 ASN 131 -4.862 -5.962 6.845 1060 HD22 ASN 131 2HD2 ASN 131 -5.968 -7.212 6.535 1061 H LEU 132 H LEU 132 -1.553 -4.940 3.601 1062 HA LEU 132 HA LEU 132 -1.233 -7.651 4.257 1063 HB2 LEU 132 2HB LEU 132 0.655 -6.876 3.209 1064 HB3 LEU 132 1HB LEU 132 0.545 -5.287 3.956 1065 HG LEU 132 HG LEU 132 1.365 -6.233 6.090 1066 HD11 LEU 132 1HD1 LEU 132 0.727 -8.707 4.741 1067 HD12 LEU 132 2HD1 LEU 132 1.159 -8.453 6.433 1068 HD13 LEU 132 3HD1 LEU 132 2.422 -8.711 5.229 1069 HD21 LEU 132 3HD2 LEU 132 3.334 -7.265 4.114 1070 HD22 LEU 132 1HD2 LEU 132 3.562 -6.125 5.440 1071 HD23 LEU 132 2HD2 LEU 132 2.832 -5.584 3.928 1072 H ARG 133 H ARG 133 -1.668 -8.575 6.163 1073 HA ARG 133 HA ARG 133 -1.470 -6.942 8.605 1074 HB2 ARG 133 2HB ARG 133 -3.248 -9.072 7.689 1075 HB3 ARG 133 1HB ARG 133 -2.644 -9.340 9.323 1076 HG2 ARG 133 2HG ARG 133 -3.291 -6.944 9.845 1077 HG3 ARG 133 1HG ARG 133 -4.110 -6.907 8.282 1078 HD2 ARG 133 2HD ARG 133 -5.600 -7.506 10.233 1079 HD3 ARG 133 1HD ARG 133 -5.589 -8.677 8.919 1080 HE ARG 133 HE ARG 133 -3.754 -9.141 11.161 1081 HH11 ARG 133 1HH2 ARG 133 -6.679 -9.870 9.460 1082 HH12 ARG 133 2HH2 ARG 133 -6.900 -11.410 10.220 1083 HH21 ARG 133 1HH1 ARG 133 -4.037 -11.161 12.161 1084 HH22 ARG 133 2HH1 ARG 133 -5.405 -12.141 11.749 1085 H GLU 134 H GLU 134 -0.468 -7.765 10.480 1086 HA GLU 134 HA GLU 134 1.804 -9.520 9.902 1087 HB2 GLU 134 2HB GLU 134 2.060 -8.746 12.526 1088 HB3 GLU 134 1HB GLU 134 2.759 -7.893 11.149 1089 HG2 GLU 134 2HG GLU 134 1.462 -6.357 12.588 1090 HG3 GLU 134 1HG GLU 134 0.749 -6.488 10.981 1091 H GLY 135 H GLY 135 2.115 -11.495 10.830 1092 HA2 GLY 135 2HA GLY 135 1.703 -13.377 12.119 1093 HA3 GLY 135 1HA GLY 135 0.553 -12.432 13.060 Start of MODEL 17 1 H1 MET 1 H MET 1 -0.091 17.614 -13.064 2 HA MET 1 HA MET 1 -1.245 15.261 -13.190 3 HB2 MET 1 2HB MET 1 0.269 15.412 -15.806 4 HB3 MET 1 1HB MET 1 -0.660 14.041 -15.199 5 HG2 MET 1 2HG MET 1 -2.051 16.675 -15.432 6 HG3 MET 1 1HG MET 1 -1.728 15.778 -16.915 7 HE1 MET 1 3HE MET 1 -4.126 13.090 -17.132 8 HE2 MET 1 1HE MET 1 -2.362 13.019 -17.048 9 HE3 MET 1 2HE MET 1 -3.154 14.358 -17.873 10 H ASN 2 H ASN 2 0.046 13.457 -12.609 11 HA ASN 2 HA ASN 2 2.948 13.904 -12.470 12 HB2 ASN 2 2HB ASN 2 1.476 14.501 -10.300 13 HB3 ASN 2 1HB ASN 2 1.683 12.770 -10.036 14 HD21 ASN 2 1HD2 ASN 2 3.879 11.962 -9.703 15 HD22 ASN 2 2HD2 ASN 2 5.160 13.019 -9.351 16 H LYS 3 H LYS 3 4.142 11.923 -11.932 17 HA LYS 3 HA LYS 3 2.753 9.559 -13.017 18 HB2 LYS 3 2HB LYS 3 5.630 9.297 -12.674 19 HB3 LYS 3 1HB LYS 3 4.652 9.108 -14.131 20 HG2 LYS 3 2HG LYS 3 4.591 11.555 -14.416 21 HG3 LYS 3 1HG LYS 3 5.562 11.753 -12.956 22 HD2 LYS 3 2HD LYS 3 7.110 9.993 -14.326 23 HD3 LYS 3 1HD LYS 3 6.381 10.877 -15.666 24 HE2 LYS 3 2HE LYS 3 7.081 13.014 -14.599 25 HE3 LYS 3 1HE LYS 3 7.880 12.092 -13.327 26 HZ1 LYS 3 3HZ LYS 3 9.039 12.866 -15.631 27 HZ2 LYS 3 1HZ LYS 3 8.585 11.273 -15.998 28 HZ3 LYS 3 2HZ LYS 3 9.581 11.584 -14.657 29 H GLU 4 H GLU 4 4.130 10.860 -10.157 30 HA GLU 4 HA GLU 4 4.728 8.355 -8.877 31 HB2 GLU 4 2HB GLU 4 4.337 11.121 -7.712 32 HB3 GLU 4 1HB GLU 4 5.009 9.731 -6.855 33 HG2 GLU 4 2HG GLU 4 6.442 9.929 -9.285 34 HG3 GLU 4 1HG GLU 4 6.336 11.566 -8.642 35 H LEU 5 H LEU 5 3.583 7.393 -7.147 36 HA LEU 5 HA LEU 5 0.773 7.303 -7.514 37 HB2 LEU 5 2HB LEU 5 2.123 5.376 -6.752 38 HB3 LEU 5 1HB LEU 5 2.408 6.207 -5.226 39 HG LEU 5 HG LEU 5 0.502 4.486 -5.288 40 HD11 LEU 5 1HD1 LEU 5 0.786 6.958 -3.955 41 HD12 LEU 5 2HD1 LEU 5 -0.065 5.523 -3.401 42 HD13 LEU 5 3HD1 LEU 5 -0.926 6.757 -4.317 43 HD21 LEU 5 3HD2 LEU 5 -1.568 5.070 -6.264 44 HD22 LEU 5 1HD2 LEU 5 -0.380 5.460 -7.506 45 HD23 LEU 5 2HD2 LEU 5 -1.076 6.742 -6.513 46 H LEU 6 H LEU 6 2.793 9.225 -5.457 47 HA LEU 6 HA LEU 6 1.090 9.770 -3.340 48 HB2 LEU 6 2HB LEU 6 2.164 12.087 -3.358 49 HB3 LEU 6 1HB LEU 6 3.247 10.699 -3.201 50 HG LEU 6 HG LEU 6 3.432 10.779 -5.768 51 HD11 LEU 6 1HD1 LEU 6 2.029 13.364 -5.146 52 HD12 LEU 6 2HD1 LEU 6 1.728 12.226 -6.459 53 HD13 LEU 6 3HD1 LEU 6 3.146 13.273 -6.508 54 HD21 LEU 6 3HD2 LEU 6 4.918 13.025 -5.409 55 HD22 LEU 6 1HD2 LEU 6 5.424 11.431 -4.849 56 HD23 LEU 6 2HD2 LEU 6 4.652 12.554 -3.730 57 H GLN 7 H GLN 7 -0.065 9.840 -6.285 58 HA GLN 7 HA GLN 7 -1.183 12.406 -6.631 59 HB2 GLN 7 2HB GLN 7 -1.116 10.337 -8.245 60 HB3 GLN 7 1HB GLN 7 -2.643 9.924 -7.467 61 HG2 GLN 7 2HG GLN 7 -2.958 12.614 -7.950 62 HG3 GLN 7 1HG GLN 7 -2.038 12.091 -9.362 63 HE21 GLN 7 1HE2 GLN 7 -5.052 11.467 -7.541 64 HE22 GLN 7 2HE2 GLN 7 -5.861 10.720 -8.833 65 H LEU 8 H LEU 8 -1.577 10.133 -4.243 66 HA LEU 8 HA LEU 8 -4.340 10.278 -3.667 67 HB2 LEU 8 2HB LEU 8 -1.962 9.846 -1.844 68 HB3 LEU 8 1HB LEU 8 -3.643 9.610 -1.363 69 HG LEU 8 HG LEU 8 -2.502 8.225 -3.788 70 HD11 LEU 8 1HD1 LEU 8 -2.165 6.246 -2.266 71 HD12 LEU 8 2HD1 LEU 8 -2.416 7.327 -0.895 72 HD13 LEU 8 3HD1 LEU 8 -1.041 7.574 -1.971 73 HD21 LEU 8 3HD2 LEU 8 -4.854 8.047 -3.732 74 HD22 LEU 8 1HD2 LEU 8 -4.891 7.904 -1.975 75 HD23 LEU 8 2HD2 LEU 8 -4.319 6.556 -2.957 76 HA PRO 9 HA PRO 9 -5.137 14.413 -2.378 77 HB2 PRO 9 2HB PRO 9 -6.260 13.202 0.098 78 HB3 PRO 9 1HB PRO 9 -6.981 14.367 -1.022 79 HG2 PRO 9 2HG PRO 9 -7.632 11.750 -0.995 80 HG3 PRO 9 1HG PRO 9 -7.700 12.758 -2.449 81 HD2 PRO 9 2HD PRO 9 -5.827 10.582 -1.793 82 HD3 PRO 9 1HD PRO 9 -6.191 11.324 -3.364 83 H LEU 10 H LEU 10 -3.197 12.306 -0.399 84 HA LEU 10 HA LEU 10 -2.719 13.851 1.826 85 HB2 LEU 10 2HB LEU 10 -0.242 12.940 1.504 86 HB3 LEU 10 1HB LEU 10 -1.571 11.986 2.173 87 HG LEU 10 HG LEU 10 -1.857 11.615 -0.566 88 HD11 LEU 10 1HD1 LEU 10 0.425 12.847 -0.583 89 HD12 LEU 10 2HD1 LEU 10 0.232 11.381 -1.561 90 HD13 LEU 10 3HD1 LEU 10 1.068 11.301 -0.007 91 HD21 LEU 10 3HD2 LEU 10 -2.119 9.723 0.740 92 HD22 LEU 10 1HD2 LEU 10 -0.700 10.080 1.726 93 HD23 LEU 10 2HD2 LEU 10 -0.502 9.420 0.101 94 H PHE 11 H PHE 11 -0.948 14.072 -1.250 95 HA PHE 11 HA PHE 11 0.413 16.395 -0.205 96 HB2 PHE 11 2HB PHE 11 1.894 16.325 -1.982 97 HB3 PHE 11 1HB PHE 11 1.564 14.624 -1.636 98 HD1 PHE 11 1HD PHE 11 -0.786 13.924 -2.706 99 HD2 PHE 11 2HD PHE 11 1.868 16.834 -4.316 100 HE1 PHE 11 1HE PHE 11 -1.823 13.616 -4.944 101 HE2 PHE 11 2HE PHE 11 0.877 16.530 -6.565 102 HZ PHE 11 HZ PHE 11 -0.981 14.914 -6.882 103 H GLU 12 H GLU 12 -1.846 15.577 -2.799 104 HA GLU 12 HA GLU 12 -2.026 18.025 -4.090 105 HB2 GLU 12 2HB GLU 12 -3.182 16.000 -4.880 106 HB3 GLU 12 1HB GLU 12 -4.277 16.090 -3.501 107 HG2 GLU 12 2HG GLU 12 -5.180 17.070 -5.653 108 HG3 GLU 12 1HG GLU 12 -5.219 18.134 -4.250 109 H SER 13 H SER 13 -3.359 16.998 -1.022 110 HA SER 13 HA SER 13 -4.911 19.447 -0.716 111 HB2 SER 13 2HB SER 13 -5.403 16.982 0.196 112 HB3 SER 13 1HB SER 13 -4.462 17.577 1.562 113 HG SER 13 HG SER 13 -6.984 18.239 0.724 114 H ALA 14 H ALA 14 -1.756 18.317 -0.131 115 HA ALA 14 HA ALA 14 -1.236 20.249 2.013 116 HB1 ALA 14 1HB ALA 14 -0.321 17.739 1.727 117 HB2 ALA 14 2HB ALA 14 0.629 19.005 2.506 118 HB3 ALA 14 3HB ALA 14 0.923 18.596 0.810 119 H SER 15 H SER 15 0.624 21.676 1.791 120 HA SER 15 HA SER 15 0.623 23.122 -0.637 121 HB2 SER 15 2HB SER 15 1.677 23.508 1.912 122 HB3 SER 15 1HB SER 15 3.104 23.351 0.892 123 HG SER 15 HG SER 15 1.448 24.834 -0.458 124 H ARG 16 H ARG 16 2.018 23.004 -2.410 125 HA ARG 16 HA ARG 16 2.978 20.555 -3.185 126 HB2 ARG 16 2HB ARG 16 4.235 23.237 -3.876 127 HB3 ARG 16 1HB ARG 16 4.430 21.739 -4.788 128 HG2 ARG 16 2HG ARG 16 1.660 22.745 -4.233 129 HG3 ARG 16 1HG ARG 16 2.602 23.506 -5.516 130 HD2 ARG 16 2HD ARG 16 3.046 21.134 -6.383 131 HD3 ARG 16 1HD ARG 16 1.777 20.607 -5.281 132 HE ARG 16 HE ARG 16 1.415 22.025 -7.765 133 HH11 ARG 16 1HH2 ARG 16 0.160 21.419 -4.596 134 HH12 ARG 16 2HH2 ARG 16 -1.481 21.761 -5.032 135 HH21 ARG 16 1HH1 ARG 16 -0.734 22.475 -8.342 136 HH22 ARG 16 2HH1 ARG 16 -1.988 22.359 -7.151 137 H GLY 17 H GLY 17 4.146 22.684 -0.816 138 HA2 GLY 17 2HA GLY 17 6.872 22.024 -0.669 139 HA3 GLY 17 1HA GLY 17 5.878 22.555 0.687 140 H CYS 18 H CYS 18 3.967 20.435 0.684 141 HA CYS 18 HA CYS 18 5.432 18.443 2.136 142 HB2 CYS 18 2HB CYS 18 2.735 19.165 1.894 143 HB3 CYS 18 1HB CYS 18 2.817 17.550 1.165 144 HG CYS 18 HG CYS 18 3.504 18.224 4.130 145 H LEU 19 H LEU 19 4.292 18.834 -1.138 146 HA LEU 19 HA LEU 19 4.628 16.129 -1.942 147 HB2 LEU 19 2HB LEU 19 3.357 17.865 -3.213 148 HB3 LEU 19 1HB LEU 19 4.894 18.615 -3.646 149 HG LEU 19 HG LEU 19 5.619 16.620 -4.811 150 HD11 LEU 19 1HD1 LEU 19 3.245 15.416 -3.440 151 HD12 LEU 19 2HD1 LEU 19 4.851 14.741 -3.715 152 HD13 LEU 19 3HD1 LEU 19 3.684 14.803 -5.034 153 HD21 LEU 19 3HD2 LEU 19 3.232 18.088 -5.500 154 HD22 LEU 19 1HD2 LEU 19 3.111 16.439 -6.112 155 HD23 LEU 19 2HD2 LEU 19 4.482 17.450 -6.567 156 H ARG 20 H ARG 20 6.751 18.917 -1.774 157 HA ARG 20 HA ARG 20 9.030 17.678 -3.009 158 HB2 ARG 20 2HB ARG 20 8.730 20.053 -1.155 159 HB3 ARG 20 1HB ARG 20 10.238 19.595 -1.934 160 HG2 ARG 20 2HG ARG 20 7.669 20.213 -3.389 161 HG3 ARG 20 1HG ARG 20 9.017 21.338 -3.201 162 HD2 ARG 20 2HD ARG 20 10.408 19.313 -4.202 163 HD3 ARG 20 1HD ARG 20 8.840 18.856 -4.863 164 HE ARG 20 HE ARG 20 8.970 20.679 -6.306 165 HH11 ARG 20 1HH2 ARG 20 11.319 20.901 -3.774 166 HH12 ARG 20 2HH2 ARG 20 12.143 22.257 -4.468 167 HH21 ARG 20 1HH1 ARG 20 10.045 22.458 -7.224 168 HH22 ARG 20 2HH1 ARG 20 11.423 23.139 -6.422 169 H SER 21 H SER 21 7.790 18.164 0.190 170 HA SER 21 HA SER 21 9.857 17.132 1.797 171 HB2 SER 21 2HB SER 21 6.920 16.856 2.330 172 HB3 SER 21 1HB SER 21 8.226 17.128 3.490 173 HG SER 21 HG SER 21 8.187 19.042 1.602 174 H LEU 22 H LEU 22 6.967 15.525 0.491 175 HA LEU 22 HA LEU 22 7.656 12.940 1.385 176 HB2 LEU 22 2HB LEU 22 5.626 14.124 -0.275 177 HB3 LEU 22 1HB LEU 22 6.258 12.666 -1.046 178 HG LEU 22 HG LEU 22 5.968 11.455 1.116 179 HD11 LEU 22 1HD1 LEU 22 5.119 12.454 2.979 180 HD12 LEU 22 2HD1 LEU 22 4.117 13.577 2.065 181 HD13 LEU 22 3HD1 LEU 22 5.843 13.890 2.262 182 HD21 LEU 22 3HD2 LEU 22 3.734 12.672 -0.441 183 HD22 LEU 22 1HD2 LEU 22 3.337 11.761 1.013 184 HD23 LEU 22 2HD2 LEU 22 4.219 10.976 -0.301 185 H SER 23 H SER 23 8.035 14.454 -1.829 186 HA SER 23 HA SER 23 9.373 12.354 -3.013 187 HB2 SER 23 2HB SER 23 8.883 13.736 -4.658 188 HB3 SER 23 1HB SER 23 8.992 15.170 -3.624 189 HG SER 23 HG SER 23 10.993 15.426 -4.241 190 H LEU 24 H LEU 24 10.560 14.740 -0.803 191 HA LEU 24 HA LEU 24 13.320 14.413 -1.256 192 HB2 LEU 24 2HB LEU 24 11.628 15.602 0.758 193 HB3 LEU 24 1HB LEU 24 12.972 14.735 1.503 194 HG LEU 24 HG LEU 24 13.482 17.126 0.911 195 HD11 LEU 24 1HD1 LEU 24 14.997 14.724 0.209 196 HD12 LEU 24 2HD1 LEU 24 15.524 16.166 1.076 197 HD13 LEU 24 3HD1 LEU 24 15.516 16.150 -0.688 198 HD21 LEU 24 3HD2 LEU 24 14.020 16.623 -1.880 199 HD22 LEU 24 1HD2 LEU 24 13.058 17.911 -1.156 200 HD23 LEU 24 2HD2 LEU 24 12.310 16.362 -1.540 201 H ILE 25 H ILE 25 10.904 12.515 0.445 202 HA ILE 25 HA ILE 25 12.986 10.481 0.987 203 HB ILE 25 HB ILE 25 11.813 11.605 3.003 204 HG12 ILE 25 2HG1 ILE 25 11.393 8.893 3.631 205 HG13 ILE 25 1HG1 ILE 25 12.624 8.882 2.403 206 HG21 ILE 25 1HG2 ILE 25 9.789 9.493 2.726 207 HG22 ILE 25 2HG2 ILE 25 9.542 10.874 1.640 208 HG23 ILE 25 3HG2 ILE 25 9.610 11.117 3.390 209 HD11 ILE 25 3HD1 ILE 25 13.910 9.142 4.339 210 HD12 ILE 25 1HD1 ILE 25 12.668 10.110 5.139 211 HD13 ILE 25 2HD1 ILE 25 13.669 10.825 3.867 212 H ILE 26 H ILE 26 11.100 10.850 -1.398 213 HA ILE 26 HA ILE 26 9.149 8.846 -1.321 214 HB ILE 26 HB ILE 26 10.421 10.589 -3.297 215 HG12 ILE 26 2HG1 ILE 26 8.096 10.790 -2.258 216 HG13 ILE 26 1HG1 ILE 26 8.174 10.924 -4.016 217 HG21 ILE 26 1HG2 ILE 26 9.479 7.882 -4.048 218 HG22 ILE 26 2HG2 ILE 26 11.005 8.635 -4.476 219 HG23 ILE 26 3HG2 ILE 26 9.497 9.199 -5.205 220 HD11 ILE 26 3HD1 ILE 26 6.576 9.176 -2.599 221 HD12 ILE 26 1HD1 ILE 26 7.922 8.182 -3.153 222 HD13 ILE 26 2HD1 ILE 26 6.964 9.095 -4.319 223 H LYS 27 H LYS 27 9.245 6.683 -1.638 224 HA LYS 27 HA LYS 27 11.876 5.571 -2.449 225 HB2 LYS 27 2HB LYS 27 10.690 5.195 -0.000 226 HB3 LYS 27 1HB LYS 27 10.198 3.755 -0.895 227 HG2 LYS 27 2HG LYS 27 12.258 3.066 -0.116 228 HG3 LYS 27 1HG LYS 27 12.742 3.764 -1.651 229 HD2 LYS 27 2HD LYS 27 14.192 4.984 -0.397 230 HD3 LYS 27 1HD LYS 27 12.776 5.962 -0.011 231 HE2 LYS 27 2HE LYS 27 13.567 3.520 1.592 232 HE3 LYS 27 1HE LYS 27 14.111 5.148 1.996 233 HZ1 LYS 27 3HZ LYS 27 11.280 4.284 1.760 234 HZ2 LYS 27 1HZ LYS 27 11.809 5.843 2.163 235 HZ3 LYS 27 2HZ LYS 27 12.114 4.546 3.217 236 H THR 28 H THR 28 11.838 3.637 -3.707 237 HA THR 28 HA THR 28 9.239 2.841 -4.809 238 HB THR 28 HB THR 28 9.846 4.498 -6.394 239 HG1 THR 28 1HG THR 28 9.456 2.209 -7.121 240 HG21 THR 28 3HG2 THR 28 12.436 3.596 -7.265 241 HG22 THR 28 1HG2 THR 28 12.479 3.907 -5.529 242 HG23 THR 28 2HG2 THR 28 11.973 5.179 -6.641 243 H SER 29 H SER 29 9.138 0.710 -4.681 244 HA SER 29 HA SER 29 11.632 -0.865 -4.889 245 HB2 SER 29 2HB SER 29 10.309 -2.665 -3.764 246 HB3 SER 29 1HB SER 29 10.493 -1.221 -2.768 247 HG SER 29 HG SER 29 8.255 -2.388 -3.714 248 H PHE 30 H PHE 30 11.672 -2.690 -6.267 249 HA PHE 30 HA PHE 30 9.390 -2.921 -8.128 250 HB2 PHE 30 2HB PHE 30 10.898 -3.044 -10.027 251 HB3 PHE 30 1HB PHE 30 11.166 -1.535 -9.154 252 HD1 PHE 30 2HD PHE 30 12.428 -5.038 -9.479 253 HD2 PHE 30 1HD PHE 30 13.290 -1.004 -8.288 254 HE1 PHE 30 2HE PHE 30 14.810 -5.645 -9.149 255 HE2 PHE 30 1HE PHE 30 15.672 -1.610 -7.957 256 HZ PHE 30 HZ PHE 30 16.432 -3.931 -8.388 257 H CYS 31 H CYS 31 8.875 -4.936 -8.819 258 HA CYS 31 HA CYS 31 10.630 -7.158 -7.947 259 HB2 CYS 31 2HB CYS 31 7.644 -7.443 -8.134 260 HB3 CYS 31 1HB CYS 31 8.803 -8.438 -7.248 261 HG CYS 31 HG CYS 31 7.546 -6.761 -5.591 262 H ALA 32 H ALA 32 10.623 -9.034 -9.287 263 HA ALA 32 HA ALA 32 9.806 -8.450 -12.063 264 HB1 ALA 32 1HB ALA 32 11.626 -10.566 -12.106 265 HB2 ALA 32 2HB ALA 32 12.239 -9.473 -10.866 266 HB3 ALA 32 3HB ALA 32 11.965 -8.881 -12.506 267 HA PRO 33 HA PRO 33 7.189 -11.983 -12.419 268 HB2 PRO 33 2HB PRO 33 8.906 -13.236 -14.481 269 HB3 PRO 33 1HB PRO 33 7.221 -12.697 -14.593 270 HG2 PRO 33 2HG PRO 33 9.247 -11.387 -15.777 271 HG3 PRO 33 1HG PRO 33 7.799 -10.570 -15.167 272 HD2 PRO 33 2HD PRO 33 10.550 -10.632 -14.016 273 HD3 PRO 33 1HD PRO 33 9.315 -9.359 -13.936 274 H GLY 34 H GLY 34 7.068 -13.638 -11.005 275 HA2 GLY 34 2HA GLY 34 7.609 -15.557 -9.842 276 HA3 GLY 34 1HA GLY 34 8.915 -15.816 -10.998 277 H GLU 35 H GLU 35 9.198 -12.726 -9.843 278 HA GLU 35 HA GLU 35 11.554 -13.343 -8.359 279 HB2 GLU 35 2HB GLU 35 10.944 -11.240 -9.767 280 HB3 GLU 35 1HB GLU 35 10.257 -10.682 -8.259 281 HG2 GLU 35 2HG GLU 35 12.959 -11.826 -8.018 282 HG3 GLU 35 1HG GLU 35 12.831 -10.347 -8.950 283 H PHE 36 H PHE 36 11.877 -13.550 -6.238 284 HA PHE 36 HA PHE 36 9.549 -13.599 -4.480 285 HB2 PHE 36 2HB PHE 36 11.956 -15.055 -4.660 286 HB3 PHE 36 1HB PHE 36 12.057 -14.143 -3.154 287 HD1 PHE 36 1HD PHE 36 9.277 -15.834 -5.042 288 HD2 PHE 36 2HD PHE 36 11.376 -15.391 -1.320 289 HE1 PHE 36 1HE PHE 36 7.713 -17.432 -3.968 290 HE2 PHE 36 2HE PHE 36 9.812 -16.988 -0.247 291 HZ PHE 36 HZ PHE 36 7.980 -18.008 -1.571 292 H LEU 37 H LEU 37 8.958 -11.795 -3.430 293 HA LEU 37 HA LEU 37 10.954 -9.721 -2.921 294 HB2 LEU 37 2HB LEU 37 8.456 -9.445 -3.814 295 HB3 LEU 37 1HB LEU 37 8.140 -9.341 -2.080 296 HG LEU 37 HG LEU 37 10.001 -7.629 -1.946 297 HD11 LEU 37 1HD1 LEU 37 9.944 -8.194 -4.874 298 HD12 LEU 37 2HD1 LEU 37 11.305 -7.757 -3.840 299 HD13 LEU 37 3HD1 LEU 37 10.176 -6.516 -4.384 300 HD21 LEU 37 3HD2 LEU 37 8.087 -6.411 -1.851 301 HD22 LEU 37 1HD2 LEU 37 7.328 -7.346 -3.140 302 HD23 LEU 37 2HD2 LEU 37 8.418 -6.018 -3.538 303 H ILE 38 H ILE 38 8.538 -11.628 -0.990 304 HA ILE 38 HA ILE 38 10.324 -11.138 1.267 305 HB ILE 38 HB ILE 38 8.671 -10.526 2.740 306 HG12 ILE 38 2HG1 ILE 38 6.181 -10.679 1.884 307 HG13 ILE 38 1HG1 ILE 38 6.851 -11.999 0.930 308 HG21 ILE 38 1HG2 ILE 38 9.038 -8.737 1.203 309 HG22 ILE 38 2HG2 ILE 38 7.335 -8.765 1.669 310 HG23 ILE 38 3HG2 ILE 38 7.833 -9.387 0.092 311 HD11 ILE 38 3HD1 ILE 38 7.412 -11.783 3.862 312 HD12 ILE 38 1HD1 ILE 38 7.519 -13.176 2.797 313 HD13 ILE 38 2HD1 ILE 38 5.945 -12.537 3.264 314 H ARG 39 H ARG 39 10.168 -12.641 2.994 315 HA ARG 39 HA ARG 39 9.066 -15.258 2.174 316 HB2 ARG 39 2HB ARG 39 11.338 -15.777 3.765 317 HB3 ARG 39 1HB ARG 39 11.128 -16.102 2.052 318 HG2 ARG 39 2HG ARG 39 13.130 -14.711 2.489 319 HG3 ARG 39 1HG ARG 39 11.942 -13.886 1.479 320 HD2 ARG 39 2HD ARG 39 11.906 -12.213 2.978 321 HD3 ARG 39 1HD ARG 39 11.203 -13.347 4.126 322 HE ARG 39 HE ARG 39 13.255 -13.456 5.201 323 HH11 ARG 39 1HH2 ARG 39 13.581 -12.108 2.028 324 HH12 ARG 39 2HH2 ARG 39 15.246 -11.679 2.233 325 HH21 ARG 39 1HH1 ARG 39 15.438 -12.894 5.475 326 HH22 ARG 39 2HH1 ARG 39 16.297 -12.123 4.183 327 H GLN 40 H GLN 40 7.534 -15.681 3.503 328 HA GLN 40 HA GLN 40 6.324 -14.953 5.565 329 HB2 GLN 40 2HB GLN 40 5.982 -17.233 5.105 330 HB3 GLN 40 1HB GLN 40 7.652 -17.648 5.482 331 HG2 GLN 40 2HG GLN 40 6.131 -16.354 7.670 332 HG3 GLN 40 1HG GLN 40 5.610 -17.979 7.232 333 HE21 GLN 40 1HE2 GLN 40 7.838 -16.282 9.140 334 HE22 GLN 40 2HE2 GLN 40 8.941 -17.543 9.410 335 H GLY 41 H GLY 41 6.609 -13.877 7.380 336 HA2 GLY 41 2HA GLY 41 7.472 -13.642 9.586 337 HA3 GLY 41 1HA GLY 41 8.941 -14.443 9.063 338 H ASP 42 H ASP 42 8.019 -12.210 6.730 339 HA ASP 42 HA ASP 42 10.253 -10.519 7.329 340 HB2 ASP 42 2HB ASP 42 8.004 -10.252 5.332 341 HB3 ASP 42 1HB ASP 42 9.337 -9.102 5.467 342 H ALA 43 H ALA 43 9.928 -8.078 7.349 343 HA ALA 43 HA ALA 43 7.771 -7.431 9.267 344 HB1 ALA 43 1HB ALA 43 10.657 -6.751 9.146 345 HB2 ALA 43 2HB ALA 43 9.623 -7.028 10.550 346 HB3 ALA 43 3HB ALA 43 9.567 -5.480 9.704 347 H LEU 44 H LEU 44 6.263 -6.123 8.443 348 HA LEU 44 HA LEU 44 6.909 -4.492 6.090 349 HB2 LEU 44 2HB LEU 44 4.851 -6.048 6.286 350 HB3 LEU 44 1HB LEU 44 4.175 -4.770 7.299 351 HG LEU 44 HG LEU 44 5.320 -3.516 5.008 352 HD11 LEU 44 1HD1 LEU 44 5.166 -5.746 3.943 353 HD12 LEU 44 2HD1 LEU 44 4.062 -4.588 3.199 354 HD13 LEU 44 3HD1 LEU 44 3.445 -5.797 4.324 355 HD21 LEU 44 3HD2 LEU 44 3.427 -2.692 6.338 356 HD22 LEU 44 1HD2 LEU 44 2.443 -4.052 5.799 357 HD23 LEU 44 2HD2 LEU 44 2.974 -2.831 4.640 358 H GLN 45 H GLN 45 7.478 -2.441 6.392 359 HA GLN 45 HA GLN 45 6.308 -0.984 8.686 360 HB2 GLN 45 2HB GLN 45 9.084 -0.707 7.513 361 HB3 GLN 45 1HB GLN 45 8.413 0.314 8.786 362 HG2 GLN 45 2HG GLN 45 8.743 -1.263 10.374 363 HG3 GLN 45 1HG GLN 45 8.120 -2.549 9.343 364 HE21 GLN 45 1HE2 GLN 45 10.890 -1.634 10.915 365 HE22 GLN 45 2HE2 GLN 45 12.042 -2.356 9.901 366 H ALA 46 H ALA 46 7.356 -0.880 5.329 367 HA ALA 46 HA ALA 46 6.247 1.836 5.046 368 HB1 ALA 46 1HB ALA 46 7.979 0.156 3.215 369 HB2 ALA 46 2HB ALA 46 8.455 1.603 4.107 370 HB3 ALA 46 3HB ALA 46 7.312 1.727 2.769 371 H ILE 47 H ILE 47 5.024 2.218 2.951 372 HA ILE 47 HA ILE 47 3.220 -0.078 2.438 373 HB ILE 47 HB ILE 47 2.245 1.925 3.688 374 HG12 ILE 47 2HG1 ILE 47 0.395 1.990 1.622 375 HG13 ILE 47 1HG1 ILE 47 1.228 0.456 1.369 376 HG21 ILE 47 1HG2 ILE 47 3.503 3.400 1.755 377 HG22 ILE 47 2HG2 ILE 47 2.152 3.984 2.732 378 HG23 ILE 47 3HG2 ILE 47 1.859 3.326 1.120 379 HD11 ILE 47 3HD1 ILE 47 0.907 0.064 3.892 380 HD12 ILE 47 1HD1 ILE 47 -0.528 -0.066 2.876 381 HD13 ILE 47 2HD1 ILE 47 -0.250 1.391 3.830 382 H TYR 48 H TYR 48 2.859 -0.661 0.334 383 HA TYR 48 HA TYR 48 4.172 1.023 -1.707 384 HB2 TYR 48 2HB TYR 48 3.822 -1.860 -2.314 385 HB3 TYR 48 1HB TYR 48 5.112 -0.760 -2.761 386 HD1 TYR 48 1HD TYR 48 3.732 -1.981 0.546 387 HD2 TYR 48 2HD TYR 48 7.153 -1.441 -1.984 388 HE1 TYR 48 1HE TYR 48 5.182 -2.924 2.311 389 HE2 TYR 48 2HE TYR 48 8.606 -2.391 -0.218 390 HH TYR 48 HH TYR 48 7.265 -3.373 2.933 391 H PHE 49 H PHE 49 3.367 0.987 -3.794 392 HA PHE 49 HA PHE 49 0.539 0.171 -4.120 393 HB2 PHE 49 2HB PHE 49 1.458 2.801 -4.036 394 HB3 PHE 49 1HB PHE 49 1.394 2.435 -5.758 395 HD1 PHE 49 1HD PHE 49 -0.802 1.532 -6.761 396 HD2 PHE 49 2HD PHE 49 -0.497 3.190 -2.795 397 HE1 PHE 49 1HE PHE 49 -3.249 1.911 -6.718 398 HE2 PHE 49 2HE PHE 49 -2.941 3.550 -2.760 399 HZ PHE 49 HZ PHE 49 -4.322 2.910 -4.721 400 H VAL 50 H VAL 50 0.085 -0.703 -6.174 401 HA VAL 50 HA VAL 50 2.448 -1.258 -7.806 402 HB VAL 50 HB VAL 50 0.127 -2.749 -6.954 403 HG11 VAL 50 1HG1 VAL 50 -0.615 -2.185 -9.185 404 HG12 VAL 50 2HG1 VAL 50 -0.256 -3.903 -9.078 405 HG13 VAL 50 3HG1 VAL 50 0.872 -2.805 -9.881 406 HG21 VAL 50 3HG2 VAL 50 1.585 -4.622 -7.391 407 HG22 VAL 50 1HG2 VAL 50 2.566 -3.335 -6.691 408 HG23 VAL 50 2HG2 VAL 50 2.619 -3.638 -8.429 409 H CYS 51 H CYS 51 2.680 -0.291 -9.724 410 HA CYS 51 HA CYS 51 0.495 1.416 -10.656 411 HB2 CYS 51 2HB CYS 51 3.429 1.222 -11.307 412 HB3 CYS 51 1HB CYS 51 2.325 2.161 -12.312 413 HG CYS 51 HG CYS 51 2.064 2.875 -9.358 414 H SER 52 H SER 52 2.242 -1.469 -11.555 415 HA SER 52 HA SER 52 0.261 -2.276 -13.426 416 HB2 SER 52 2HB SER 52 1.089 -1.650 -15.434 417 HB3 SER 52 1HB SER 52 1.996 -0.447 -14.523 418 HG SER 52 HG SER 52 3.482 -2.440 -14.247 419 H GLY 53 H GLY 53 0.738 -4.373 -14.357 420 HA2 GLY 53 2HA GLY 53 2.162 -6.299 -14.587 421 HA3 GLY 53 1HA GLY 53 3.063 -5.756 -13.176 422 H SER 54 H SER 54 2.714 -7.935 -12.285 423 HA SER 54 HA SER 54 0.257 -7.997 -10.724 424 HB2 SER 54 2HB SER 54 0.646 -10.598 -11.985 425 HB3 SER 54 1HB SER 54 -0.828 -9.659 -11.773 426 HG SER 54 HG SER 54 -0.403 -9.747 -13.948 427 H MET 55 H MET 55 0.487 -9.050 -8.811 428 HA MET 55 HA MET 55 2.703 -10.901 -8.455 429 HB2 MET 55 2HB MET 55 3.457 -9.642 -6.384 430 HB3 MET 55 1HB MET 55 3.867 -8.893 -7.927 431 HG2 MET 55 2HG MET 55 2.681 -7.069 -7.426 432 HG3 MET 55 1HG MET 55 1.248 -8.032 -7.072 433 HE1 MET 55 3HE MET 55 4.647 -8.695 -4.796 434 HE2 MET 55 1HE MET 55 4.737 -6.977 -4.384 435 HE3 MET 55 2HE MET 55 4.720 -7.482 -6.072 436 H GLU 56 H GLU 56 2.681 -11.843 -6.212 437 HA GLU 56 HA GLU 56 0.227 -11.661 -4.718 438 HB2 GLU 56 2HB GLU 56 -0.296 -14.136 -5.189 439 HB3 GLU 56 1HB GLU 56 -0.729 -12.965 -6.434 440 HG2 GLU 56 2HG GLU 56 0.422 -14.905 -7.435 441 HG3 GLU 56 1HG GLU 56 1.385 -13.442 -7.634 442 H VAL 57 H VAL 57 0.251 -12.974 -2.802 443 HA VAL 57 HA VAL 57 2.965 -13.792 -2.039 444 HB VAL 57 HB VAL 57 2.393 -13.483 0.178 445 HG11 VAL 57 1HG1 VAL 57 1.729 -11.467 -1.656 446 HG12 VAL 57 2HG1 VAL 57 2.041 -11.262 0.067 447 HG13 VAL 57 3HG1 VAL 57 0.392 -11.494 -0.507 448 HG21 VAL 57 3HG2 VAL 57 -0.365 -14.101 -0.795 449 HG22 VAL 57 1HG2 VAL 57 -0.161 -13.170 0.681 450 HG23 VAL 57 2HG2 VAL 57 0.527 -14.781 0.566 451 H LEU 58 H LEU 58 3.467 -15.920 -1.617 452 HA LEU 58 HA LEU 58 1.359 -17.898 -2.170 453 HB2 LEU 58 2HB LEU 58 3.721 -17.626 -3.408 454 HB3 LEU 58 1HB LEU 58 4.210 -18.698 -2.095 455 HG LEU 58 HG LEU 58 3.499 -20.043 -4.000 456 HD11 LEU 58 1HD1 LEU 58 2.062 -21.490 -2.840 457 HD12 LEU 58 2HD1 LEU 58 1.180 -20.162 -2.086 458 HD13 LEU 58 3HD1 LEU 58 2.804 -20.567 -1.533 459 HD21 LEU 58 3HD2 LEU 58 1.704 -19.536 -5.295 460 HD22 LEU 58 1HD2 LEU 58 1.741 -17.969 -4.485 461 HD23 LEU 58 2HD2 LEU 58 0.673 -19.241 -3.895 462 H LYS 59 H LYS 59 0.609 -19.120 -0.597 463 HA LYS 59 HA LYS 59 2.306 -20.153 1.462 464 HB2 LYS 59 2HB LYS 59 2.008 -18.076 2.532 465 HB3 LYS 59 1HB LYS 59 0.317 -18.005 2.105 466 HG2 LYS 59 2HG LYS 59 0.507 -18.593 4.462 467 HG3 LYS 59 1HG LYS 59 -0.114 -19.982 3.578 468 HD2 LYS 59 2HD LYS 59 1.602 -20.763 5.097 469 HD3 LYS 59 1HD LYS 59 2.246 -20.870 3.465 470 HE2 LYS 59 2HE LYS 59 3.822 -19.863 5.179 471 HE3 LYS 59 1HE LYS 59 3.546 -18.862 3.750 472 HZ1 LYS 59 3HZ LYS 59 2.123 -17.461 4.921 473 HZ2 LYS 59 1HZ LYS 59 3.374 -17.761 6.026 474 HZ3 LYS 59 2HZ LYS 59 1.891 -18.573 6.186 475 H ASP 60 H ASP 60 1.428 -21.934 2.481 476 HA ASP 60 HA ASP 60 0.068 -23.759 2.727 477 HB2 ASP 60 2HB ASP 60 -1.652 -21.434 2.894 478 HB3 ASP 60 1HB ASP 60 -2.518 -22.814 2.225 479 H ASN 61 H ASN 61 1.216 -23.385 0.204 480 HA ASN 61 HA ASN 61 1.138 -24.350 -1.874 481 HB2 ASN 61 2HB ASN 61 -0.460 -25.955 -0.325 482 HB3 ASN 61 1HB ASN 61 -1.543 -25.511 -1.644 483 HD21 ASN 61 1HD2 ASN 61 1.991 -26.266 -1.456 484 HD22 ASN 61 2HD2 ASN 61 1.957 -27.394 -2.723 485 H THR 62 H THR 62 -1.088 -22.074 -0.810 486 HA THR 62 HA THR 62 -1.907 -21.566 -3.604 487 HB THR 62 HB THR 62 -3.671 -21.016 -1.236 488 HG1 THR 62 1HG THR 62 -3.093 -23.339 -2.059 489 HG21 THR 62 3HG2 THR 62 -4.131 -21.062 -4.234 490 HG22 THR 62 1HG2 THR 62 -4.118 -19.619 -3.209 491 HG23 THR 62 2HG2 THR 62 -5.399 -20.827 -3.032 492 H VAL 63 H VAL 63 -2.473 -19.361 -4.047 493 HA VAL 63 HA VAL 63 -0.604 -17.529 -2.923 494 HB VAL 63 HB VAL 63 -2.424 -16.010 -4.317 495 HG11 VAL 63 1HG1 VAL 63 0.080 -16.192 -4.545 496 HG12 VAL 63 2HG1 VAL 63 -0.781 -16.076 -6.079 497 HG13 VAL 63 3HG1 VAL 63 -0.173 -17.635 -5.524 498 HG21 VAL 63 3HG2 VAL 63 -3.664 -18.157 -4.787 499 HG22 VAL 63 1HG2 VAL 63 -2.219 -18.736 -5.610 500 HG23 VAL 63 2HG2 VAL 63 -3.092 -17.340 -6.243 501 H LEU 64 H LEU 64 -0.867 -16.607 -0.968 502 HA LEU 64 HA LEU 64 -3.423 -16.603 0.336 503 HB2 LEU 64 2HB LEU 64 -0.763 -16.401 1.150 504 HB3 LEU 64 1HB LEU 64 -1.459 -14.829 1.534 505 HG LEU 64 HG LEU 64 -3.446 -16.293 2.485 506 HD11 LEU 64 1HD1 LEU 64 -3.049 -18.502 2.809 507 HD12 LEU 64 2HD1 LEU 64 -1.399 -18.208 3.353 508 HD13 LEU 64 3HD1 LEU 64 -1.755 -18.314 1.626 509 HD21 LEU 64 3HD2 LEU 64 -2.462 -16.105 4.663 510 HD22 LEU 64 1HD2 LEU 64 -1.816 -14.765 3.714 511 HD23 LEU 64 2HD2 LEU 64 -0.829 -16.197 4.005 512 H ALA 65 H ALA 65 -1.849 -14.571 -1.867 513 HA ALA 65 HA ALA 65 -4.002 -12.614 -1.589 514 HB1 ALA 65 1HB ALA 65 -2.739 -10.781 -1.069 515 HB2 ALA 65 2HB ALA 65 -1.306 -11.408 -1.884 516 HB3 ALA 65 3HB ALA 65 -1.736 -11.997 -0.278 517 H ILE 66 H ILE 66 -4.678 -11.925 -3.515 518 HA ILE 66 HA ILE 66 -2.910 -12.356 -5.843 519 HB ILE 66 HB ILE 66 -5.847 -12.946 -5.506 520 HG12 ILE 66 2HG1 ILE 66 -4.895 -15.003 -6.874 521 HG13 ILE 66 1HG1 ILE 66 -3.351 -14.454 -6.226 522 HG21 ILE 66 1HG2 ILE 66 -4.300 -12.221 -7.977 523 HG22 ILE 66 2HG2 ILE 66 -5.947 -11.780 -7.526 524 HG23 ILE 66 3HG2 ILE 66 -5.594 -13.415 -8.085 525 HD11 ILE 66 3HD1 ILE 66 -4.162 -14.642 -3.956 526 HD12 ILE 66 1HD1 ILE 66 -4.514 -16.156 -4.783 527 HD13 ILE 66 2HD1 ILE 66 -5.797 -14.977 -4.518 528 H LEU 67 H LEU 67 -2.288 -10.253 -6.318 529 HA LEU 67 HA LEU 67 -4.485 -8.335 -6.718 530 HB2 LEU 67 2HB LEU 67 -2.440 -6.700 -5.954 531 HB3 LEU 67 1HB LEU 67 -3.757 -7.220 -4.909 532 HG LEU 67 HG LEU 67 -2.342 -9.229 -4.296 533 HD11 LEU 67 1HD1 LEU 67 -0.908 -8.604 -6.469 534 HD12 LEU 67 2HD1 LEU 67 -0.198 -9.461 -5.098 535 HD13 LEU 67 3HD1 LEU 67 0.034 -7.722 -5.271 536 HD21 LEU 67 3HD2 LEU 67 -0.898 -6.646 -3.688 537 HD22 LEU 67 1HD2 LEU 67 -1.138 -8.041 -2.635 538 HD23 LEU 67 2HD2 LEU 67 -2.494 -6.978 -3.017 539 H GLY 68 H GLY 68 -3.907 -6.476 -8.082 540 HA2 GLY 68 2HA GLY 68 -1.677 -6.982 -9.927 541 HA3 GLY 68 1HA GLY 68 -3.299 -6.852 -10.592 542 H LYS 69 H LYS 69 -2.671 -5.059 -11.807 543 HA LYS 69 HA LYS 69 -1.393 -2.760 -11.127 544 HB2 LYS 69 2HB LYS 69 -2.450 -3.435 -13.355 545 HB3 LYS 69 1HB LYS 69 -3.930 -2.697 -12.741 546 HG2 LYS 69 2HG LYS 69 -3.061 -0.560 -12.799 547 HG3 LYS 69 1HG LYS 69 -1.408 -1.111 -12.536 548 HD2 LYS 69 2HD LYS 69 -1.455 -0.396 -14.800 549 HD3 LYS 69 1HD LYS 69 -1.552 -2.155 -14.880 550 HE2 LYS 69 2HE LYS 69 -3.876 -0.216 -15.070 551 HE3 LYS 69 1HE LYS 69 -3.216 -1.192 -16.382 552 HZ1 LYS 69 3HZ LYS 69 -3.701 -3.097 -14.645 553 HZ2 LYS 69 1HZ LYS 69 -4.885 -2.550 -15.728 554 HZ3 LYS 69 2HZ LYS 69 -4.880 -1.991 -14.122 555 H GLY 70 H GLY 70 -1.676 -1.104 -9.792 556 HA2 GLY 70 2HA GLY 70 -2.776 0.589 -8.645 557 HA3 GLY 70 1HA GLY 70 -4.309 -0.149 -9.056 558 H ASP 71 H ASP 71 -3.185 -2.788 -7.982 559 HA ASP 71 HA ASP 71 -4.425 -2.823 -5.532 560 HB2 ASP 71 2HB ASP 71 -3.344 -4.874 -5.095 561 HB3 ASP 71 1HB ASP 71 -3.474 -4.787 -6.854 562 H LEU 72 H LEU 72 -3.739 -2.715 -3.379 563 HA LEU 72 HA LEU 72 -1.255 -1.174 -2.944 564 HB2 LEU 72 2HB LEU 72 -3.280 0.182 -2.528 565 HB3 LEU 72 1HB LEU 72 -3.840 -1.030 -1.377 566 HG LEU 72 HG LEU 72 -1.513 -0.651 -0.233 567 HD11 LEU 72 1HD1 LEU 72 -0.356 1.300 -0.708 568 HD12 LEU 72 2HD1 LEU 72 -1.778 2.109 -1.367 569 HD13 LEU 72 3HD1 LEU 72 -0.941 0.880 -2.314 570 HD21 LEU 72 3HD2 LEU 72 -2.750 0.423 1.324 571 HD22 LEU 72 1HD2 LEU 72 -4.075 0.435 0.162 572 HD23 LEU 72 2HD2 LEU 72 -2.983 1.813 0.266 573 H ILE 73 H ILE 73 0.099 -1.858 -1.347 574 HA ILE 73 HA ILE 73 -0.665 -4.324 0.059 575 HB ILE 73 HB ILE 73 1.058 -4.798 -1.541 576 HG12 ILE 73 2HG1 ILE 73 2.929 -5.466 -0.066 577 HG13 ILE 73 1HG1 ILE 73 2.263 -4.456 1.217 578 HG21 ILE 73 1HG2 ILE 73 1.943 -2.211 -0.627 579 HG22 ILE 73 2HG2 ILE 73 2.055 -2.965 -2.216 580 HG23 ILE 73 3HG2 ILE 73 3.228 -3.379 -0.958 581 HD11 ILE 73 3HD1 ILE 73 0.685 -6.680 -0.092 582 HD12 ILE 73 1HD1 ILE 73 0.304 -5.820 1.400 583 HD13 ILE 73 2HD1 ILE 73 1.671 -6.932 1.349 584 H GLY 74 H GLY 74 -0.393 -4.469 2.210 585 HA2 GLY 74 2HA GLY 74 1.045 -3.740 4.139 586 HA3 GLY 74 1HA GLY 74 0.695 -2.098 3.608 587 H SER 75 H SER 75 0.068 -3.467 6.175 588 HA SER 75 HA SER 75 -2.766 -3.927 6.211 589 HB2 SER 75 2HB SER 75 -1.911 -3.435 8.835 590 HB3 SER 75 1HB SER 75 -2.119 -5.004 8.062 591 HG SER 75 HG SER 75 -0.028 -5.033 8.560 592 H ASP 76 H ASP 76 -4.302 -2.737 7.404 593 HA ASP 76 HA ASP 76 -4.259 0.069 6.883 594 HB2 ASP 76 2HB ASP 76 -6.465 0.032 8.060 595 HB3 ASP 76 1HB ASP 76 -6.343 -1.141 6.751 596 H SER 77 H SER 77 -5.538 1.183 9.032 597 HA SER 77 HA SER 77 -5.251 2.103 11.125 598 HB2 SER 77 2HB SER 77 -4.331 -0.490 11.467 599 HB3 SER 77 1HB SER 77 -2.981 0.501 12.013 600 HG SER 77 HG SER 77 -5.194 1.612 12.923 601 H LEU 78 H LEU 78 -3.930 3.077 8.838 602 HA LEU 78 HA LEU 78 -1.189 3.712 9.362 603 HB2 LEU 78 2HB LEU 78 -3.052 4.080 7.249 604 HB3 LEU 78 1HB LEU 78 -2.463 5.674 7.702 605 HG LEU 78 HG LEU 78 -0.106 4.630 7.647 606 HD11 LEU 78 1HD1 LEU 78 -1.779 2.377 6.837 607 HD12 LEU 78 2HD1 LEU 78 -0.083 2.396 7.315 608 HD13 LEU 78 3HD1 LEU 78 -0.531 2.738 5.644 609 HD21 LEU 78 3HD2 LEU 78 -1.463 4.665 4.954 610 HD22 LEU 78 1HD2 LEU 78 0.141 5.251 5.383 611 HD23 LEU 78 2HD2 LEU 78 -1.298 6.143 5.891 612 H THR 79 H THR 79 -3.992 4.635 10.860 613 HA THR 79 HA THR 79 -4.036 7.329 11.212 614 HB THR 79 HB THR 79 -4.306 5.834 13.735 615 HG1 THR 79 1HG THR 79 -5.287 4.222 12.850 616 HG21 THR 79 3HG2 THR 79 -6.281 7.106 13.908 617 HG22 THR 79 1HG2 THR 79 -6.412 7.305 12.161 618 HG23 THR 79 2HG2 THR 79 -5.171 8.181 13.058 619 H LYS 80 H LYS 80 -2.174 5.185 13.441 620 HA LYS 80 HA LYS 80 -0.398 7.516 13.882 621 HB2 LYS 80 2HB LYS 80 -1.788 7.224 15.843 622 HB3 LYS 80 1HB LYS 80 -1.380 5.509 15.914 623 HG2 LYS 80 2HG LYS 80 0.964 7.268 15.831 624 HG3 LYS 80 1HG LYS 80 -0.039 7.475 17.270 625 HD2 LYS 80 2HD LYS 80 0.263 5.277 17.965 626 HD3 LYS 80 1HD LYS 80 0.608 4.701 16.334 627 HE2 LYS 80 2HE LYS 80 2.409 6.361 18.094 628 HE3 LYS 80 1HE LYS 80 2.664 4.696 17.581 629 HZ1 LYS 80 3HZ LYS 80 3.969 6.096 16.197 630 HZ2 LYS 80 1HZ LYS 80 2.654 7.118 15.873 631 HZ3 LYS 80 2HZ LYS 80 2.669 5.533 15.261 632 H GLU 81 H GLU 81 -0.650 4.113 13.278 633 HA GLU 81 HA GLU 81 2.099 3.937 12.563 634 HB2 GLU 81 2HB GLU 81 2.256 3.905 15.082 635 HB3 GLU 81 1HB GLU 81 1.359 2.387 15.049 636 HG2 GLU 81 2HG GLU 81 3.119 1.205 14.192 637 HG3 GLU 81 1HG GLU 81 3.687 2.560 13.217 638 H GLN 82 H GLN 82 2.662 1.380 12.553 639 HA GLN 82 HA GLN 82 0.585 -0.451 12.151 640 HB2 GLN 82 2HB GLN 82 -0.230 0.548 10.251 641 HB3 GLN 82 1HB GLN 82 1.338 1.142 9.766 642 HG2 GLN 82 2HG GLN 82 0.983 -1.795 9.876 643 HG3 GLN 82 1HG GLN 82 0.216 -0.895 8.572 644 HE21 GLN 82 1HE2 GLN 82 2.832 -2.690 8.893 645 HE22 GLN 82 2HE2 GLN 82 3.969 -1.797 8.003 646 H VAL 83 H VAL 83 1.785 -2.061 12.955 647 HA VAL 83 HA VAL 83 4.320 -2.678 11.561 648 HB VAL 83 HB VAL 83 5.234 -3.483 13.637 649 HG11 VAL 83 1HG1 VAL 83 4.160 -0.775 13.344 650 HG12 VAL 83 2HG1 VAL 83 5.757 -1.295 13.891 651 HG13 VAL 83 3HG1 VAL 83 4.415 -1.219 15.034 652 HG21 VAL 83 3HG2 VAL 83 3.635 -2.957 15.716 653 HG22 VAL 83 1HG2 VAL 83 3.556 -4.502 14.870 654 HG23 VAL 83 2HG2 VAL 83 2.381 -3.237 14.508 655 H ILE 84 H ILE 84 3.766 -4.284 10.205 656 HA ILE 84 HA ILE 84 2.532 -6.678 11.398 657 HB ILE 84 HB ILE 84 1.630 -5.139 8.995 658 HG12 ILE 84 2HG1 ILE 84 -0.588 -6.018 9.925 659 HG13 ILE 84 1HG1 ILE 84 0.338 -6.613 11.304 660 HG21 ILE 84 1HG2 ILE 84 1.770 -8.119 9.286 661 HG22 ILE 84 2HG2 ILE 84 1.959 -7.127 7.840 662 HG23 ILE 84 3HG2 ILE 84 0.355 -7.411 8.511 663 HD11 ILE 84 3HD1 ILE 84 -0.676 -4.005 10.934 664 HD12 ILE 84 1HD1 ILE 84 1.071 -3.876 10.726 665 HD13 ILE 84 2HD1 ILE 84 0.407 -4.554 12.212 666 H LYS 85 H LYS 85 3.716 -8.435 11.054 667 HA LYS 85 HA LYS 85 5.831 -8.341 9.030 668 HB2 LYS 85 2HB LYS 85 5.286 -10.072 11.413 669 HB3 LYS 85 1HB LYS 85 6.377 -10.632 10.160 670 HG2 LYS 85 2HG LYS 85 7.979 -9.080 10.680 671 HG3 LYS 85 1HG LYS 85 6.793 -7.866 11.149 672 HD2 LYS 85 2HD LYS 85 7.388 -10.347 12.780 673 HD3 LYS 85 1HD LYS 85 8.146 -8.783 13.072 674 HE2 LYS 85 2HE LYS 85 5.470 -9.705 13.793 675 HE3 LYS 85 1HE LYS 85 6.393 -8.336 14.411 676 HZ1 LYS 85 3HZ LYS 85 4.434 -7.544 13.312 677 HZ2 LYS 85 1HZ LYS 85 4.807 -8.413 11.904 678 HZ3 LYS 85 2HZ LYS 85 5.789 -7.113 12.383 679 H THR 86 H THR 86 5.763 -9.538 7.176 680 HA THR 86 HA THR 86 3.241 -10.737 6.492 681 HB THR 86 HB THR 86 5.818 -10.803 4.901 682 HG1 THR 86 1HG THR 86 5.467 -8.789 4.533 683 HG21 THR 86 3HG2 THR 86 2.913 -10.989 4.065 684 HG22 THR 86 1HG2 THR 86 3.999 -12.367 4.203 685 HG23 THR 86 2HG2 THR 86 4.312 -11.110 3.004 686 H ASN 87 H ASN 87 2.648 -12.656 7.124 687 HA ASN 87 HA ASN 87 4.513 -14.633 8.074 688 HB2 ASN 87 2HB ASN 87 2.032 -14.053 8.809 689 HB3 ASN 87 1HB ASN 87 1.639 -15.262 7.585 690 HD21 ASN 87 1HD2 ASN 87 0.880 -16.605 9.489 691 HD22 ASN 87 2HD2 ASN 87 2.034 -17.483 10.372 692 H ALA 88 H ALA 88 2.881 -13.989 5.090 693 HA ALA 88 HA ALA 88 3.393 -16.686 4.060 694 HB1 ALA 88 1HB ALA 88 2.384 -15.383 1.933 695 HB2 ALA 88 2HB ALA 88 1.730 -14.367 3.219 696 HB3 ALA 88 3HB ALA 88 1.353 -16.092 3.182 697 H ASN 89 H ASN 89 3.995 -16.248 1.460 698 HA ASN 89 HA ASN 89 6.579 -14.802 1.588 699 HB2 ASN 89 2HB ASN 89 5.809 -17.155 -0.167 700 HB3 ASN 89 1HB ASN 89 7.384 -16.366 -0.123 701 HD21 ASN 89 1HD2 ASN 89 6.607 -19.215 0.612 702 HD22 ASN 89 2HD2 ASN 89 7.171 -19.416 2.200 703 H VAL 90 H VAL 90 7.035 -13.345 -0.167 704 HA VAL 90 HA VAL 90 4.713 -12.784 -1.843 705 HB VAL 90 HB VAL 90 6.989 -11.133 -0.876 706 HG11 VAL 90 1HG1 VAL 90 6.800 -10.676 -3.161 707 HG12 VAL 90 2HG1 VAL 90 5.999 -9.344 -2.328 708 HG13 VAL 90 3HG1 VAL 90 5.046 -10.615 -3.101 709 HG21 VAL 90 3HG2 VAL 90 4.792 -11.468 0.442 710 HG22 VAL 90 1HG2 VAL 90 4.046 -10.504 -0.832 711 HG23 VAL 90 2HG2 VAL 90 5.327 -9.809 0.163 712 H LYS 91 H LYS 91 4.812 -13.119 -3.944 713 HA LYS 91 HA LYS 91 7.424 -13.197 -5.274 714 HB2 LYS 91 2HB LYS 91 6.993 -15.527 -4.799 715 HB3 LYS 91 1HB LYS 91 5.344 -15.389 -5.408 716 HG2 LYS 91 2HG LYS 91 6.141 -14.967 -7.655 717 HG3 LYS 91 1HG LYS 91 7.810 -14.880 -7.092 718 HD2 LYS 91 2HD LYS 91 7.438 -17.078 -8.061 719 HD3 LYS 91 1HD LYS 91 7.613 -17.256 -6.315 720 HE2 LYS 91 2HE LYS 91 5.372 -17.740 -5.998 721 HE3 LYS 91 1HE LYS 91 4.867 -16.830 -7.421 722 HZ1 LYS 91 3HZ LYS 91 5.941 -19.556 -7.241 723 HZ2 LYS 91 1HZ LYS 91 6.231 -18.656 -8.650 724 HZ3 LYS 91 2HZ LYS 91 4.636 -18.967 -8.155 725 H ALA 92 H ALA 92 7.311 -11.801 -6.924 726 HA ALA 92 HA ALA 92 4.800 -10.843 -7.925 727 HB1 ALA 92 1HB ALA 92 6.935 -10.154 -9.672 728 HB2 ALA 92 2HB ALA 92 7.540 -10.048 -8.022 729 HB3 ALA 92 3HB ALA 92 6.116 -9.124 -8.501 730 H LEU 93 H LEU 93 3.608 -11.788 -9.456 731 HA LEU 93 HA LEU 93 4.485 -14.131 -10.834 732 HB2 LEU 93 2HB LEU 93 2.004 -12.631 -10.490 733 HB3 LEU 93 1HB LEU 93 2.187 -13.278 -12.121 734 HG LEU 93 HG LEU 93 2.445 -15.512 -11.308 735 HD11 LEU 93 1HD1 LEU 93 3.139 -14.092 -8.814 736 HD12 LEU 93 2HD1 LEU 93 3.726 -15.638 -9.428 737 HD13 LEU 93 3HD1 LEU 93 2.179 -15.554 -8.586 738 HD21 LEU 93 3HD2 LEU 93 0.240 -13.881 -10.117 739 HD22 LEU 93 1HD2 LEU 93 0.413 -15.549 -9.570 740 HD23 LEU 93 2HD2 LEU 93 0.154 -15.204 -11.280 741 H THR 94 H THR 94 3.692 -10.828 -11.844 742 HA THR 94 HA THR 94 5.331 -11.240 -14.266 743 HB THR 94 HB THR 94 3.723 -9.572 -15.353 744 HG1 THR 94 1HG THR 94 1.761 -9.334 -14.384 745 HG21 THR 94 3HG2 THR 94 1.874 -11.570 -15.331 746 HG22 THR 94 1HG2 THR 94 3.289 -12.431 -14.726 747 HG23 THR 94 2HG2 THR 94 3.353 -11.617 -16.289 748 H TYR 95 H TYR 95 6.555 -9.430 -14.921 749 HA TYR 95 HA TYR 95 7.747 -7.902 -12.989 750 HB2 TYR 95 2HB TYR 95 7.666 -6.236 -15.265 751 HB3 TYR 95 1HB TYR 95 8.933 -7.357 -14.808 752 HD1 TYR 95 1HD TYR 95 5.505 -7.574 -16.157 753 HD2 TYR 95 2HD TYR 95 9.559 -8.875 -16.478 754 HE1 TYR 95 1HE TYR 95 4.876 -8.998 -18.099 755 HE2 TYR 95 2HE TYR 95 8.958 -10.304 -18.417 756 HH TYR 95 HH TYR 95 5.945 -11.225 -19.153 757 H CYS 96 H CYS 96 6.950 -6.497 -11.588 758 HA CYS 96 HA CYS 96 4.838 -4.645 -12.491 759 HB2 CYS 96 2HB CYS 96 4.427 -5.015 -9.750 760 HB3 CYS 96 1HB CYS 96 3.418 -5.637 -11.052 761 HG CYS 96 HG CYS 96 5.860 -7.371 -10.252 762 H ASP 97 H ASP 97 5.051 -2.563 -11.876 763 HA ASP 97 HA ASP 97 7.507 -1.841 -10.432 764 HB2 ASP 97 2HB ASP 97 6.578 -0.786 -12.695 765 HB3 ASP 97 1HB ASP 97 5.646 0.202 -11.572 766 H LEU 98 H LEU 98 7.423 -1.199 -8.342 767 HA LEU 98 HA LEU 98 4.773 -0.444 -7.283 768 HB2 LEU 98 2HB LEU 98 6.835 -1.831 -5.601 769 HB3 LEU 98 1HB LEU 98 5.095 -1.722 -5.357 770 HG LEU 98 HG LEU 98 4.988 -2.997 -7.662 771 HD11 LEU 98 1HD1 LEU 98 7.226 -3.140 -8.331 772 HD12 LEU 98 2HD1 LEU 98 6.967 -4.707 -7.566 773 HD13 LEU 98 3HD1 LEU 98 7.805 -3.427 -6.689 774 HD21 LEU 98 3HD2 LEU 98 4.270 -3.781 -5.352 775 HD22 LEU 98 1HD2 LEU 98 5.874 -4.494 -5.184 776 HD23 LEU 98 2HD2 LEU 98 4.785 -5.062 -6.450 777 H GLN 99 H GLN 99 4.635 1.337 -6.087 778 HA GLN 99 HA GLN 99 7.134 2.784 -5.454 779 HB2 GLN 99 2HB GLN 99 4.766 4.403 -5.182 780 HB3 GLN 99 1HB GLN 99 6.137 4.627 -6.270 781 HG2 GLN 99 2HG GLN 99 3.845 2.718 -6.805 782 HG3 GLN 99 1HG GLN 99 3.941 4.352 -7.459 783 HE21 GLN 99 1HE2 GLN 99 5.771 4.816 -8.966 784 HE22 GLN 99 2HE2 GLN 99 6.504 3.539 -9.812 785 H TYR 100 H TYR 100 7.567 3.232 -3.338 786 HA TYR 100 HA TYR 100 5.447 3.055 -1.358 787 HB2 TYR 100 2HB TYR 100 6.441 1.350 -0.026 788 HB3 TYR 100 1HB TYR 100 6.327 0.704 -1.656 789 HD1 TYR 100 2HD TYR 100 8.790 2.420 -2.711 790 HD2 TYR 100 1HD TYR 100 8.177 -0.126 0.687 791 HE1 TYR 100 2HE TYR 100 11.206 1.917 -2.652 792 HE2 TYR 100 1HE TYR 100 10.594 -0.644 0.719 793 HH TYR 100 HH TYR 100 12.864 1.015 -1.414 794 H ILE 101 H ILE 101 6.278 3.521 0.850 795 HA ILE 101 HA ILE 101 8.748 5.028 0.967 796 HB ILE 101 HB ILE 101 7.808 7.025 0.572 797 HG12 ILE 101 2HG1 ILE 101 7.634 6.942 3.132 798 HG13 ILE 101 1HG1 ILE 101 6.558 8.076 2.322 799 HG21 ILE 101 1HG2 ILE 101 5.256 5.458 0.762 800 HG22 ILE 101 2HG2 ILE 101 6.061 6.022 -0.707 801 HG23 ILE 101 3HG2 ILE 101 5.273 7.179 0.372 802 HD11 ILE 101 3HD1 ILE 101 5.751 6.124 4.113 803 HD12 ILE 101 1HD1 ILE 101 5.403 5.395 2.545 804 HD13 ILE 101 2HD1 ILE 101 4.702 6.955 2.964 805 H SER 102 H SER 102 9.360 5.575 3.139 806 HA SER 102 HA SER 102 8.397 3.616 5.040 807 HB2 SER 102 2HB SER 102 10.142 4.651 6.525 808 HB3 SER 102 1HB SER 102 10.771 4.034 4.999 809 HG SER 102 HG SER 102 11.125 6.026 4.326 810 H LEU 103 H LEU 103 6.851 3.961 6.496 811 HA LEU 103 HA LEU 103 5.207 6.162 6.606 812 HB2 LEU 103 2HB LEU 103 5.537 3.771 8.101 813 HB3 LEU 103 1HB LEU 103 5.446 5.094 9.266 814 HG LEU 103 HG LEU 103 3.197 4.224 8.734 815 HD11 LEU 103 1HD1 LEU 103 3.903 6.802 8.974 816 HD12 LEU 103 2HD1 LEU 103 2.234 6.315 8.676 817 HD13 LEU 103 3HD1 LEU 103 3.246 6.859 7.338 818 HD21 LEU 103 3HD2 LEU 103 4.260 4.124 6.107 819 HD22 LEU 103 1HD2 LEU 103 2.951 5.306 6.068 820 HD23 LEU 103 2HD2 LEU 103 2.638 3.662 6.624 821 H LYS 104 H LYS 104 8.279 5.628 8.222 822 HA LYS 104 HA LYS 104 8.146 7.896 9.952 823 HB2 LYS 104 2HB LYS 104 10.559 6.416 8.868 824 HB3 LYS 104 1HB LYS 104 10.572 7.561 10.210 825 HG2 LYS 104 2HG LYS 104 8.613 5.912 11.060 826 HG3 LYS 104 1HG LYS 104 9.564 4.766 10.117 827 HD2 LYS 104 2HD LYS 104 11.545 5.229 11.395 828 HD3 LYS 104 1HD LYS 104 10.782 6.606 12.190 829 HE2 LYS 104 2HE LYS 104 10.912 4.377 13.505 830 HE3 LYS 104 1HE LYS 104 9.369 5.230 13.485 831 HZ1 LYS 104 3HZ LYS 104 8.507 3.773 11.895 832 HZ2 LYS 104 1HZ LYS 104 9.326 2.764 12.983 833 HZ3 LYS 104 2HZ LYS 104 10.036 3.151 11.489 834 H GLY 105 H GLY 105 9.170 7.325 6.656 835 HA2 GLY 105 2HA GLY 105 10.526 9.799 6.209 836 HA3 GLY 105 1HA GLY 105 9.888 8.711 4.977 837 H LEU 106 H LEU 106 7.258 8.625 5.529 838 HA LEU 106 HA LEU 106 6.315 11.008 4.324 839 HB2 LEU 106 2HB LEU 106 5.333 8.774 3.985 840 HB3 LEU 106 1HB LEU 106 4.749 8.799 5.645 841 HG LEU 106 HG LEU 106 3.959 11.253 4.468 842 HD11 LEU 106 1HD1 LEU 106 4.304 10.237 2.267 843 HD12 LEU 106 2HD1 LEU 106 2.576 10.415 2.577 844 HD13 LEU 106 3HD1 LEU 106 3.344 8.836 2.743 845 HD21 LEU 106 3HD2 LEU 106 2.854 9.811 6.244 846 HD22 LEU 106 1HD2 LEU 106 2.286 8.780 4.933 847 HD23 LEU 106 2HD2 LEU 106 1.754 10.460 5.024 848 H ARG 107 H ARG 107 6.139 9.761 7.628 849 HA ARG 107 HA ARG 107 4.377 11.743 8.618 850 HB2 ARG 107 2HB ARG 107 6.316 9.887 9.946 851 HB3 ARG 107 1HB ARG 107 5.266 10.986 10.846 852 HG2 ARG 107 2HG ARG 107 4.306 8.962 8.816 853 HG3 ARG 107 1HG ARG 107 4.262 8.751 10.559 854 HD2 ARG 107 2HD ARG 107 3.009 11.058 10.530 855 HD3 ARG 107 1HD ARG 107 2.680 10.647 8.845 856 HE ARG 107 HE ARG 107 1.755 8.468 9.878 857 HH11 ARG 107 1HH2 ARG 107 1.722 11.583 11.407 858 HH12 ARG 107 2HH2 ARG 107 0.331 11.235 12.377 859 HH21 ARG 107 1HH1 ARG 107 -0.063 8.019 11.153 860 HH22 ARG 107 2HH1 ARG 107 -0.676 9.224 12.235 861 H GLU 108 H GLU 108 7.772 11.595 8.280 862 HA GLU 108 HA GLU 108 8.424 13.789 10.006 863 HB2 GLU 108 2HB GLU 108 10.072 12.064 9.198 864 HB3 GLU 108 1HB GLU 108 10.007 12.829 7.609 865 HG2 GLU 108 2HG GLU 108 11.471 14.398 8.275 866 HG3 GLU 108 1HG GLU 108 10.401 14.864 9.596 867 H VAL 109 H VAL 109 8.195 13.489 6.500 868 HA VAL 109 HA VAL 109 8.458 16.202 5.828 869 HB VAL 109 HB VAL 109 7.108 15.398 3.754 870 HG11 VAL 109 1HG1 VAL 109 9.462 15.416 3.512 871 HG12 VAL 109 2HG1 VAL 109 9.055 13.712 3.248 872 HG13 VAL 109 3HG1 VAL 109 9.678 14.238 4.807 873 HG21 VAL 109 3HG2 VAL 109 7.196 12.919 5.430 874 HG22 VAL 109 1HG2 VAL 109 7.154 12.850 3.673 875 HG23 VAL 109 2HG2 VAL 109 5.854 13.633 4.562 876 H LEU 110 H LEU 110 5.723 14.186 6.666 877 HA LEU 110 HA LEU 110 3.680 16.142 6.384 878 HB2 LEU 110 2HB LEU 110 4.010 13.462 7.464 879 HB3 LEU 110 1HB LEU 110 2.869 14.401 8.364 880 HG LEU 110 HG LEU 110 1.561 14.815 6.357 881 HD11 LEU 110 1HD1 LEU 110 3.325 15.042 4.698 882 HD12 LEU 110 2HD1 LEU 110 2.234 13.763 4.195 883 HD13 LEU 110 3HD1 LEU 110 3.781 13.363 4.920 884 HD21 LEU 110 3HD2 LEU 110 1.049 12.439 5.707 885 HD22 LEU 110 1HD2 LEU 110 1.112 12.686 7.452 886 HD23 LEU 110 2HD2 LEU 110 2.469 11.940 6.618 887 H ARG 111 H ARG 111 6.056 15.411 8.836 888 HA ARG 111 HA ARG 111 4.919 16.651 11.063 889 HB2 ARG 111 2HB ARG 111 7.216 15.432 10.823 890 HB3 ARG 111 1HB ARG 111 7.829 17.029 10.391 891 HG2 ARG 111 2HG ARG 111 7.164 17.961 12.484 892 HG3 ARG 111 1HG ARG 111 6.182 16.551 12.879 893 HD2 ARG 111 2HD ARG 111 7.980 15.328 13.572 894 HD3 ARG 111 1HD ARG 111 9.037 15.993 12.330 895 HE ARG 111 HE ARG 111 8.336 17.896 14.393 896 HH11 ARG 111 1HH2 ARG 111 10.454 15.341 13.413 897 HH12 ARG 111 2HH2 ARG 111 11.760 15.847 14.432 898 HH21 ARG 111 1HH1 ARG 111 10.044 18.566 15.729 899 HH22 ARG 111 2HH1 ARG 111 11.527 17.674 15.744 900 H LEU 112 H LEU 112 6.615 17.937 8.261 901 HA LEU 112 HA LEU 112 6.665 20.660 9.070 902 HB2 LEU 112 2HB LEU 112 7.592 19.256 6.881 903 HB3 LEU 112 1HB LEU 112 6.268 20.199 6.194 904 HG LEU 112 HG LEU 112 7.243 22.238 7.307 905 HD11 LEU 112 1HD1 LEU 112 9.850 21.729 7.726 906 HD12 LEU 112 2HD1 LEU 112 9.191 20.154 8.171 907 HD13 LEU 112 3HD1 LEU 112 8.651 21.606 9.014 908 HD21 LEU 112 3HD2 LEU 112 9.519 21.412 5.687 909 HD22 LEU 112 1HD2 LEU 112 8.289 22.629 5.342 910 HD23 LEU 112 2HD2 LEU 112 7.994 20.938 4.939 911 H TYR 113 H TYR 113 4.303 18.580 7.525 912 HA TYR 113 HA TYR 113 2.286 20.752 7.759 913 HB2 TYR 113 2HB TYR 113 2.615 18.610 5.661 914 HB3 TYR 113 1HB TYR 113 1.068 19.414 5.929 915 HD1 TYR 113 1HD TYR 113 0.840 21.863 5.588 916 HD2 TYR 113 2HD TYR 113 4.481 19.778 4.662 917 HE1 TYR 113 1HE TYR 113 1.616 23.808 4.261 918 HE2 TYR 113 2HE TYR 113 5.257 21.725 3.336 919 HH TYR 113 HH TYR 113 3.217 24.224 2.372 920 HA PRO 114 HA PRO 114 1.273 17.377 10.739 921 HB2 PRO 114 2HB PRO 114 0.091 19.587 12.270 922 HB3 PRO 114 1HB PRO 114 1.348 18.431 12.740 923 HG2 PRO 114 2HG PRO 114 1.854 21.032 12.257 924 HG3 PRO 114 1HG PRO 114 3.036 19.746 11.963 925 HD2 PRO 114 2HD PRO 114 1.339 21.232 9.992 926 HD3 PRO 114 1HD PRO 114 3.007 20.637 9.828 927 H GLU 115 H GLU 115 -0.949 20.051 9.805 928 HA GLU 115 HA GLU 115 -3.301 18.698 10.636 929 HB2 GLU 115 2HB GLU 115 -2.792 20.968 8.721 930 HB3 GLU 115 1HB GLU 115 -4.413 20.322 8.977 931 HG2 GLU 115 2HG GLU 115 -4.157 22.146 10.514 932 HG3 GLU 115 1HG GLU 115 -4.043 20.665 11.463 933 H TYR 116 H TYR 116 -1.867 19.125 7.424 934 HA TYR 116 HA TYR 116 -3.694 17.508 6.022 935 HB2 TYR 116 2HB TYR 116 -0.841 18.341 5.513 936 HB3 TYR 116 1HB TYR 116 -1.724 17.315 4.389 937 HD1 TYR 116 1HD TYR 116 -4.311 18.232 4.054 938 HD2 TYR 116 2HD TYR 116 -0.846 20.597 4.977 939 HE1 TYR 116 1HE TYR 116 -5.432 20.239 3.124 940 HE2 TYR 116 2HE TYR 116 -1.965 22.603 4.045 941 HH TYR 116 HH TYR 116 -4.281 22.655 2.053 942 H ALA 117 H ALA 117 -0.827 16.830 7.872 943 HA ALA 117 HA ALA 117 -0.304 14.217 7.045 944 HB1 ALA 117 1HB ALA 117 1.241 15.550 8.379 945 HB2 ALA 117 2HB ALA 117 0.908 14.009 9.177 946 HB3 ALA 117 3HB ALA 117 0.135 15.487 9.747 947 H GLN 118 H GLN 118 -2.096 15.209 9.989 948 HA GLN 118 HA GLN 118 -2.853 12.658 10.768 949 HB2 GLN 118 2HB GLN 118 -4.757 14.995 10.904 950 HB3 GLN 118 1HB GLN 118 -4.549 13.679 12.051 951 HG2 GLN 118 2HG GLN 118 -2.898 16.132 11.675 952 HG3 GLN 118 1HG GLN 118 -3.388 15.332 13.165 953 HE21 GLN 118 1HE2 GLN 118 -2.413 12.868 13.162 954 HE22 GLN 118 2HE2 GLN 118 -0.751 12.808 12.822 955 H LYS 119 H LYS 119 -3.930 14.720 8.214 956 HA LYS 119 HA LYS 119 -6.267 13.217 7.500 957 HB2 LYS 119 2HB LYS 119 -5.312 15.716 6.886 958 HB3 LYS 119 1HB LYS 119 -5.023 14.827 5.390 959 HG2 LYS 119 2HG LYS 119 -7.260 15.778 5.309 960 HG3 LYS 119 1HG LYS 119 -7.396 14.026 5.467 961 HD2 LYS 119 2HD LYS 119 -8.255 14.148 7.584 962 HD3 LYS 119 1HD LYS 119 -7.273 15.549 8.012 963 HE2 LYS 119 2HE LYS 119 -8.735 17.017 6.724 964 HE3 LYS 119 1HE LYS 119 -9.673 15.635 6.161 965 HZ1 LYS 119 3HZ LYS 119 -10.789 16.676 7.997 966 HZ2 LYS 119 1HZ LYS 119 -9.404 16.562 8.969 967 HZ3 LYS 119 2HZ LYS 119 -10.224 15.152 8.490 968 H PHE 120 H PHE 120 -2.830 12.989 6.717 969 HA PHE 120 HA PHE 120 -3.004 11.667 4.256 970 HB2 PHE 120 2HB PHE 120 -0.803 11.933 4.502 971 HB3 PHE 120 1HB PHE 120 -1.009 12.263 6.218 972 HD1 PHE 120 1HD PHE 120 -1.072 9.321 3.863 973 HD2 PHE 120 2HD PHE 120 0.024 10.828 7.734 974 HE1 PHE 120 1HE PHE 120 -0.007 7.169 4.394 975 HE2 PHE 120 2HE PHE 120 1.082 8.653 8.270 976 HZ PHE 120 HZ PHE 120 1.071 6.824 6.601 977 H VAL 121 H VAL 121 -2.961 10.307 7.537 978 HA VAL 121 HA VAL 121 -2.833 7.631 6.880 979 HB VAL 121 HB VAL 121 -3.658 7.166 9.053 980 HG11 VAL 121 1HG1 VAL 121 -1.623 8.859 8.701 981 HG12 VAL 121 2HG1 VAL 121 -2.206 8.449 10.312 982 HG13 VAL 121 3HG1 VAL 121 -2.709 9.958 9.551 983 HG21 VAL 121 3HG2 VAL 121 -5.778 8.175 9.152 984 HG22 VAL 121 1HG2 VAL 121 -5.156 9.750 8.663 985 HG23 VAL 121 2HG2 VAL 121 -4.846 9.147 10.290 986 H SER 122 H SER 122 -5.718 9.692 7.079 987 HA SER 122 HA SER 122 -7.575 7.605 6.510 988 HB2 SER 122 2HB SER 122 -9.186 9.236 6.636 989 HB3 SER 122 1HB SER 122 -7.884 10.062 7.487 990 HG SER 122 HG SER 122 -8.420 10.253 4.701 991 H GLU 123 H GLU 123 -5.611 9.716 4.560 992 HA GLU 123 HA GLU 123 -6.976 9.598 2.118 993 HB2 GLU 123 2HB GLU 123 -4.387 10.436 3.067 994 HB3 GLU 123 1HB GLU 123 -4.220 9.583 1.532 995 HG2 GLU 123 2HG GLU 123 -4.601 11.942 1.082 996 HG3 GLU 123 1HG GLU 123 -6.026 11.029 0.587 997 H ILE 124 H ILE 124 -4.490 7.380 3.425 998 HA ILE 124 HA ILE 124 -4.171 5.815 1.171 999 HB ILE 124 HB ILE 124 -3.092 5.774 3.627 1000 HG12 ILE 124 2HG1 ILE 124 -3.067 4.009 1.284 1001 HG13 ILE 124 1HG1 ILE 124 -1.731 4.643 2.238 1002 HG21 ILE 124 1HG2 ILE 124 -3.732 3.781 4.846 1003 HG22 ILE 124 2HG2 ILE 124 -4.885 3.329 3.596 1004 HG23 ILE 124 3HG2 ILE 124 -5.173 4.757 4.587 1005 HD11 ILE 124 3HD1 ILE 124 -3.438 2.218 2.869 1006 HD12 ILE 124 1HD1 ILE 124 -2.258 2.896 3.988 1007 HD13 ILE 124 2HD1 ILE 124 -1.728 2.227 2.446 1008 H GLN 125 H GLN 125 -6.593 5.517 3.773 1009 HA GLN 125 HA GLN 125 -7.767 3.111 3.156 1010 HB2 GLN 125 2HB GLN 125 -9.030 5.689 4.090 1011 HB3 GLN 125 1HB GLN 125 -9.938 4.190 3.918 1012 HG2 GLN 125 2HG GLN 125 -9.243 4.265 6.183 1013 HG3 GLN 125 1HG GLN 125 -8.217 3.092 5.369 1014 HE21 GLN 125 1HE2 GLN 125 -6.776 3.711 7.365 1015 HE22 GLN 125 2HE2 GLN 125 -5.723 5.025 7.146 1016 H HIS 126 H HIS 126 -8.076 6.167 1.476 1017 HA HIS 126 HA HIS 126 -10.284 5.572 -0.137 1018 HB2 HIS 126 2HB HIS 126 -8.789 7.757 0.199 1019 HB3 HIS 126 1HB HIS 126 -8.093 7.168 -1.305 1020 HD1 HIS 126 1HD HIS 126 -9.597 7.150 -3.409 1021 HD2 HIS 126 2HD HIS 126 -11.538 8.526 0.013 1022 HE1 HIS 126 1HE HIS 126 -11.786 8.157 -4.185 1023 HE2 HIS 126 2HE HIS 126 -12.982 9.003 -2.109 1024 H ASP 127 H ASP 127 -7.090 4.296 -0.183 1025 HA ASP 127 HA ASP 127 -7.647 3.090 -2.834 1026 HB2 ASP 127 2HB ASP 127 -4.973 2.839 -2.632 1027 HB3 ASP 127 1HB ASP 127 -5.762 4.209 -3.409 1028 H LEU 128 H LEU 128 -7.861 2.307 0.247 1029 HA LEU 128 HA LEU 128 -6.202 0.136 0.754 1030 HB2 LEU 128 2HB LEU 128 -7.678 1.044 2.457 1031 HB3 LEU 128 1HB LEU 128 -9.096 0.526 1.546 1032 HG LEU 128 HG LEU 128 -8.346 -1.830 1.753 1033 HD11 LEU 128 1HD1 LEU 128 -5.993 -0.458 2.919 1034 HD12 LEU 128 2HD1 LEU 128 -6.090 -1.997 2.064 1035 HD13 LEU 128 3HD1 LEU 128 -6.523 -1.908 3.772 1036 HD21 LEU 128 3HD2 LEU 128 -8.825 -2.064 4.160 1037 HD22 LEU 128 1HD2 LEU 128 -9.884 -0.855 3.434 1038 HD23 LEU 128 2HD2 LEU 128 -8.498 -0.347 4.399 1039 H THR 129 H THR 129 -5.804 -1.335 -0.845 1040 HA THR 129 HA THR 129 -8.125 -2.659 -2.097 1041 HB THR 129 HB THR 129 -5.277 -2.257 -2.950 1042 HG1 THR 129 1HG THR 129 -7.253 -0.980 -3.547 1043 HG21 THR 129 3HG2 THR 129 -7.024 -4.603 -3.483 1044 HG22 THR 129 1HG2 THR 129 -5.264 -4.482 -3.502 1045 HG23 THR 129 2HG2 THR 129 -6.204 -3.906 -4.878 1046 H TYR 130 H TYR 130 -4.873 -3.441 -0.809 1047 HA TYR 130 HA TYR 130 -6.029 -5.922 0.300 1048 HB2 TYR 130 2HB TYR 130 -4.582 -6.171 -1.875 1049 HB3 TYR 130 1HB TYR 130 -3.227 -5.924 -0.769 1050 HD1 TYR 130 1HD TYR 130 -2.745 -7.535 1.022 1051 HD2 TYR 130 2HD TYR 130 -6.017 -8.138 -1.697 1052 HE1 TYR 130 1HE TYR 130 -2.945 -9.886 1.783 1053 HE2 TYR 130 2HE TYR 130 -6.215 -10.490 -0.936 1054 HH TYR 130 HH TYR 130 -5.455 -12.043 0.446 1055 H ASN 131 H ASN 131 -5.678 -6.064 2.415 1056 HA ASN 131 HA ASN 131 -3.598 -4.361 3.596 1057 HB2 ASN 131 2HB ASN 131 -4.886 -4.194 5.493 1058 HB3 ASN 131 1HB ASN 131 -6.149 -4.412 4.284 1059 HD21 ASN 131 1HD2 ASN 131 -4.638 -5.832 7.082 1060 HD22 ASN 131 2HD2 ASN 131 -5.578 -7.245 7.120 1061 H LEU 132 H LEU 132 -1.715 -5.327 4.020 1062 HA LEU 132 HA LEU 132 -1.518 -8.197 4.288 1063 HB2 LEU 132 2HB LEU 132 0.236 -6.156 3.571 1064 HB3 LEU 132 1HB LEU 132 0.814 -6.662 5.156 1065 HG LEU 132 HG LEU 132 1.868 -7.939 3.288 1066 HD11 LEU 132 1HD1 LEU 132 0.319 -9.144 5.506 1067 HD12 LEU 132 2HD1 LEU 132 2.034 -9.287 5.116 1068 HD13 LEU 132 3HD1 LEU 132 0.850 -10.266 4.252 1069 HD21 LEU 132 3HD2 LEU 132 -0.536 -9.574 2.820 1070 HD22 LEU 132 1HD2 LEU 132 0.659 -8.975 1.670 1071 HD23 LEU 132 2HD2 LEU 132 -0.660 -7.930 2.195 1072 H ARG 133 H ARG 133 -2.060 -9.189 6.097 1073 HA ARG 133 HA ARG 133 -1.789 -7.785 8.672 1074 HB2 ARG 133 2HB ARG 133 -3.889 -9.268 7.604 1075 HB3 ARG 133 1HB ARG 133 -3.137 -10.361 8.764 1076 HG2 ARG 133 2HG ARG 133 -3.136 -8.266 10.341 1077 HG3 ARG 133 1HG ARG 133 -4.379 -7.666 9.243 1078 HD2 ARG 133 2HD ARG 133 -5.253 -8.945 11.244 1079 HD3 ARG 133 1HD ARG 133 -5.798 -9.540 9.681 1080 HE ARG 133 HE ARG 133 -3.767 -10.827 11.396 1081 HH11 ARG 133 1HH2 ARG 133 -5.896 -10.832 8.656 1082 HH12 ARG 133 2HH2 ARG 133 -5.740 -12.533 8.374 1083 HH21 ARG 133 1HH1 ARG 133 -3.564 -13.051 11.021 1084 HH22 ARG 133 2HH1 ARG 133 -4.424 -13.787 9.709 1085 H GLU 134 H GLU 134 -0.864 -8.872 10.475 1086 HA GLU 134 HA GLU 134 1.395 -10.526 9.758 1087 HB2 GLU 134 2HB GLU 134 1.421 -8.697 11.517 1088 HB3 GLU 134 1HB GLU 134 0.481 -9.785 12.538 1089 HG2 GLU 134 2HG GLU 134 2.739 -11.187 11.391 1090 HG3 GLU 134 1HG GLU 134 3.281 -9.739 12.239 1091 H GLY 135 H GLY 135 1.779 -12.632 10.330 1092 HA2 GLY 135 2HA GLY 135 1.326 -14.794 11.022 1093 HA3 GLY 135 1HA GLY 135 -0.032 -14.165 11.950 Start of MODEL 18 1 H1 MET 1 H MET 1 2.294 15.531 -19.001 2 HA MET 1 HA MET 1 0.049 14.416 -19.972 3 HB2 MET 1 2HB MET 1 1.329 13.426 -21.764 4 HB3 MET 1 1HB MET 1 2.109 14.940 -21.303 5 HG2 MET 1 2HG MET 1 3.305 13.117 -19.610 6 HG3 MET 1 1HG MET 1 3.109 12.187 -21.096 7 HE1 MET 1 3HE MET 1 6.410 12.538 -21.518 8 HE2 MET 1 1HE MET 1 5.442 12.296 -20.058 9 HE3 MET 1 2HE MET 1 6.563 13.651 -20.160 10 H ASN 2 H ASN 2 1.744 13.080 -17.471 11 HA ASN 2 HA ASN 2 0.560 10.412 -17.959 12 HB2 ASN 2 2HB ASN 2 2.426 9.457 -16.648 13 HB3 ASN 2 1HB ASN 2 2.996 10.270 -18.104 14 HD21 ASN 2 1HD2 ASN 2 2.596 10.754 -14.571 15 HD22 ASN 2 2HD2 ASN 2 3.832 11.909 -14.437 16 H LYS 3 H LYS 3 -1.018 9.979 -16.571 17 HA LYS 3 HA LYS 3 -1.538 11.588 -14.271 18 HB2 LYS 3 2HB LYS 3 -3.152 10.142 -15.773 19 HB3 LYS 3 1HB LYS 3 -2.751 8.873 -14.615 20 HG2 LYS 3 2HG LYS 3 -3.233 10.985 -12.943 21 HG3 LYS 3 1HG LYS 3 -4.377 11.308 -14.246 22 HD2 LYS 3 2HD LYS 3 -4.134 8.739 -12.654 23 HD3 LYS 3 1HD LYS 3 -5.463 9.896 -12.589 24 HE2 LYS 3 2HE LYS 3 -5.202 9.282 -15.308 25 HE3 LYS 3 1HE LYS 3 -5.001 7.736 -14.483 26 HZ1 LYS 3 3HZ LYS 3 -7.263 9.636 -14.194 27 HZ2 LYS 3 1HZ LYS 3 -7.043 8.271 -13.211 28 HZ3 LYS 3 2HZ LYS 3 -7.310 8.081 -14.878 29 H GLU 4 H GLU 4 -0.146 11.522 -12.601 30 HA GLU 4 HA GLU 4 1.259 9.134 -11.840 31 HB2 GLU 4 2HB GLU 4 0.962 11.819 -10.474 32 HB3 GLU 4 1HB GLU 4 2.021 10.526 -9.910 33 HG2 GLU 4 2HG GLU 4 3.607 11.227 -11.338 34 HG3 GLU 4 1HG GLU 4 2.531 10.863 -12.686 35 H LEU 5 H LEU 5 0.901 7.801 -10.099 36 HA LEU 5 HA LEU 5 -1.786 7.465 -9.260 37 HB2 LEU 5 2HB LEU 5 -0.128 5.610 -9.479 38 HB3 LEU 5 1HB LEU 5 0.696 6.236 -8.055 39 HG LEU 5 HG LEU 5 -0.983 4.321 -7.690 40 HD11 LEU 5 1HD1 LEU 5 -0.342 6.598 -6.139 41 HD12 LEU 5 2HD1 LEU 5 -0.795 4.994 -5.580 42 HD13 LEU 5 3HD1 LEU 5 -2.037 6.215 -5.845 43 HD21 LEU 5 3HD2 LEU 5 -3.295 4.772 -7.692 44 HD22 LEU 5 1HD2 LEU 5 -2.724 5.510 -9.187 45 HD23 LEU 5 2HD2 LEU 5 -3.046 6.515 -7.772 46 H LEU 6 H LEU 6 0.803 9.370 -8.037 47 HA LEU 6 HA LEU 6 0.263 9.381 -5.336 48 HB2 LEU 6 2HB LEU 6 1.140 11.683 -5.231 49 HB3 LEU 6 1HB LEU 6 2.181 10.584 -6.151 50 HG LEU 6 HG LEU 6 0.895 11.406 -8.239 51 HD11 LEU 6 1HD1 LEU 6 -0.076 13.271 -6.105 52 HD12 LEU 6 2HD1 LEU 6 -0.940 12.613 -7.495 53 HD13 LEU 6 3HD1 LEU 6 0.220 13.923 -7.716 54 HD21 LEU 6 3HD2 LEU 6 2.930 12.869 -6.615 55 HD22 LEU 6 1HD2 LEU 6 2.254 13.703 -8.014 56 HD23 LEU 6 2HD2 LEU 6 3.079 12.158 -8.221 57 H GLN 7 H GLN 7 -2.199 9.603 -7.217 58 HA GLN 7 HA GLN 7 -3.462 12.043 -6.627 59 HB2 GLN 7 2HB GLN 7 -4.243 10.206 -8.248 60 HB3 GLN 7 1HB GLN 7 -4.914 9.404 -6.828 61 HG2 GLN 7 2HG GLN 7 -5.757 12.024 -6.517 62 HG3 GLN 7 1HG GLN 7 -5.887 11.768 -8.258 63 HE21 GLN 7 1HE2 GLN 7 -6.392 9.451 -5.544 64 HE22 GLN 7 2HE2 GLN 7 -7.987 9.067 -5.980 65 H LEU 8 H LEU 8 -2.441 9.488 -4.687 66 HA LEU 8 HA LEU 8 -4.337 9.309 -2.669 67 HB2 LEU 8 2HB LEU 8 -1.754 8.408 -2.993 68 HB3 LEU 8 1HB LEU 8 -1.601 9.532 -1.640 69 HG LEU 8 HG LEU 8 -3.540 8.390 -0.544 70 HD11 LEU 8 1HD1 LEU 8 -4.790 6.929 -1.709 71 HD12 LEU 8 2HD1 LEU 8 -3.375 5.922 -2.014 72 HD13 LEU 8 3HD1 LEU 8 -3.783 7.228 -3.125 73 HD21 LEU 8 3HD2 LEU 8 -1.923 6.049 -0.762 74 HD22 LEU 8 1HD2 LEU 8 -1.900 7.265 0.516 75 HD23 LEU 8 2HD2 LEU 8 -0.850 7.443 -0.890 76 HA PRO 9 HA PRO 9 -4.961 13.570 -1.520 77 HB2 PRO 9 2HB PRO 9 -5.374 12.250 1.126 78 HB3 PRO 9 1HB PRO 9 -6.333 13.495 0.312 79 HG2 PRO 9 2HG PRO 9 -7.084 10.942 0.315 80 HG3 PRO 9 1HG PRO 9 -7.352 11.991 -1.088 81 HD2 PRO 9 2HD PRO 9 -5.419 9.765 -0.762 82 HD3 PRO 9 1HD PRO 9 -6.115 10.456 -2.246 83 H LEU 10 H LEU 10 -2.434 11.628 -0.006 84 HA LEU 10 HA LEU 10 -1.692 13.621 1.885 85 HB2 LEU 10 2HB LEU 10 0.593 12.516 1.741 86 HB3 LEU 10 1HB LEU 10 -0.761 11.640 2.469 87 HG LEU 10 HG LEU 10 -0.891 11.104 -0.294 88 HD11 LEU 10 1HD1 LEU 10 1.480 12.071 -0.189 89 HD12 LEU 10 2HD1 LEU 10 1.286 10.476 -0.941 90 HD13 LEU 10 3HD1 LEU 10 1.902 10.598 0.704 91 HD21 LEU 10 3HD2 LEU 10 -1.530 9.367 1.101 92 HD22 LEU 10 1HD2 LEU 10 -0.190 9.616 2.222 93 HD23 LEU 10 2HD2 LEU 10 0.091 8.821 0.669 94 H PHE 11 H PHE 11 -0.385 12.773 -1.267 95 HA PHE 11 HA PHE 11 1.025 15.324 -1.151 96 HB2 PHE 11 2HB PHE 11 2.386 14.338 -3.047 97 HB3 PHE 11 1HB PHE 11 2.725 13.847 -1.403 98 HD1 PHE 11 1HD PHE 11 -0.335 12.619 -2.899 99 HD2 PHE 11 2HD PHE 11 3.833 11.826 -2.330 100 HE1 PHE 11 1HE PHE 11 -0.708 10.246 -3.495 101 HE2 PHE 11 2HE PHE 11 3.470 9.446 -2.917 102 HZ PHE 11 HZ PHE 11 1.194 8.651 -3.495 103 H GLU 12 H GLU 12 -1.647 13.966 -2.521 104 HA GLU 12 HA GLU 12 -1.482 15.094 -5.158 105 HB2 GLU 12 2HB GLU 12 -2.918 13.165 -4.729 106 HB3 GLU 12 1HB GLU 12 -3.856 14.106 -3.570 107 HG2 GLU 12 2HG GLU 12 -4.856 13.931 -5.900 108 HG3 GLU 12 1HG GLU 12 -4.679 15.556 -5.247 109 H SER 13 H SER 13 -2.922 16.059 -2.075 110 HA SER 13 HA SER 13 -3.714 18.627 -3.288 111 HB2 SER 13 2HB SER 13 -4.591 17.430 -0.655 112 HB3 SER 13 1HB SER 13 -5.232 18.883 -1.414 113 HG SER 13 HG SER 13 -6.033 17.635 -3.074 114 H ALA 14 H ALA 14 -0.989 17.634 -2.023 115 HA ALA 14 HA ALA 14 -0.696 19.718 0.014 116 HB1 ALA 14 1HB ALA 14 1.678 18.148 -0.668 117 HB2 ALA 14 2HB ALA 14 0.308 17.144 -0.177 118 HB3 ALA 14 3HB ALA 14 0.906 18.401 0.904 119 H SER 15 H SER 15 0.819 21.386 -0.205 120 HA SER 15 HA SER 15 1.241 22.378 -2.815 121 HB2 SER 15 2HB SER 15 1.334 23.735 -0.673 122 HB3 SER 15 1HB SER 15 2.911 23.013 -0.365 123 HG SER 15 HG SER 15 2.839 23.884 -2.881 124 H ARG 16 H ARG 16 3.161 22.326 -4.101 125 HA ARG 16 HA ARG 16 4.435 19.910 -4.303 126 HB2 ARG 16 2HB ARG 16 5.356 22.690 -5.042 127 HB3 ARG 16 1HB ARG 16 6.377 21.283 -5.343 128 HG2 ARG 16 2HG ARG 16 3.503 21.439 -6.275 129 HG3 ARG 16 1HG ARG 16 4.856 21.972 -7.272 130 HD2 ARG 16 2HD ARG 16 5.625 19.453 -6.313 131 HD3 ARG 16 1HD ARG 16 3.925 19.273 -6.735 132 HE ARG 16 HE ARG 16 6.019 19.380 -8.579 133 HH11 ARG 16 1HH2 ARG 16 2.998 20.941 -7.943 134 HH12 ARG 16 2HH2 ARG 16 2.655 21.262 -9.610 135 HH21 ARG 16 1HH1 ARG 16 5.575 19.798 -10.769 136 HH22 ARG 16 2HH1 ARG 16 4.113 20.616 -11.209 137 H GLY 17 H GLY 17 4.823 22.338 -1.945 138 HA2 GLY 17 2HA GLY 17 7.447 21.897 -1.052 139 HA3 GLY 17 1HA GLY 17 6.116 22.474 -0.051 140 H CYS 18 H CYS 18 4.362 20.275 -0.172 141 HA CYS 18 HA CYS 18 5.633 18.513 1.713 142 HB2 CYS 18 2HB CYS 18 2.971 19.091 0.868 143 HB3 CYS 18 1HB CYS 18 3.234 17.358 0.650 144 HG CYS 18 HG CYS 18 3.375 17.055 3.117 145 H LEU 19 H LEU 19 4.517 18.176 -1.664 146 HA LEU 19 HA LEU 19 5.209 15.501 -1.968 147 HB2 LEU 19 2HB LEU 19 4.005 16.745 -3.713 148 HB3 LEU 19 1HB LEU 19 5.455 17.696 -4.041 149 HG LEU 19 HG LEU 19 6.640 15.793 -4.856 150 HD11 LEU 19 1HD1 LEU 19 4.437 14.239 -3.500 151 HD12 LEU 19 2HD1 LEU 19 6.186 14.042 -3.363 152 HD13 LEU 19 3HD1 LEU 19 5.352 13.514 -4.824 153 HD21 LEU 19 3HD2 LEU 19 3.756 15.810 -5.777 154 HD22 LEU 19 1HD2 LEU 19 5.000 14.844 -6.569 155 HD23 LEU 19 2HD2 LEU 19 5.138 16.601 -6.534 156 H ARG 20 H ARG 20 7.193 18.377 -1.898 157 HA ARG 20 HA ARG 20 9.618 17.104 -2.764 158 HB2 ARG 20 2HB ARG 20 9.775 19.410 -2.981 159 HB3 ARG 20 1HB ARG 20 8.910 19.721 -1.485 160 HG2 ARG 20 2HG ARG 20 11.630 18.431 -1.496 161 HG3 ARG 20 1HG ARG 20 11.412 20.178 -1.477 162 HD2 ARG 20 2HD ARG 20 9.669 19.201 0.497 163 HD3 ARG 20 1HD ARG 20 11.165 18.298 0.707 164 HE ARG 20 HE ARG 20 11.425 21.198 0.430 165 HH11 ARG 20 1HH2 ARG 20 11.250 18.398 2.454 166 HH12 ARG 20 2HH2 ARG 20 12.001 19.164 3.814 167 HH21 ARG 20 1HH1 ARG 20 12.416 22.207 2.209 168 HH22 ARG 20 2HH1 ARG 20 12.661 21.319 3.675 169 H SER 21 H SER 21 7.910 17.604 0.220 170 HA SER 21 HA SER 21 9.909 16.786 2.079 171 HB2 SER 21 2HB SER 21 6.931 16.506 2.374 172 HB3 SER 21 1HB SER 21 8.129 16.792 3.635 173 HG SER 21 HG SER 21 7.114 18.717 3.109 174 H LEU 22 H LEU 22 7.161 15.020 0.641 175 HA LEU 22 HA LEU 22 7.887 12.492 1.657 176 HB2 LEU 22 2HB LEU 22 5.941 13.539 -0.161 177 HB3 LEU 22 1HB LEU 22 6.735 12.156 -0.918 178 HG LEU 22 HG LEU 22 6.369 10.887 1.232 179 HD11 LEU 22 1HD1 LEU 22 5.247 11.799 2.975 180 HD12 LEU 22 2HD1 LEU 22 4.170 12.733 1.937 181 HD13 LEU 22 3HD1 LEU 22 5.794 13.328 2.285 182 HD21 LEU 22 3HD2 LEU 22 4.069 10.383 0.710 183 HD22 LEU 22 1HD2 LEU 22 4.926 10.700 -0.797 184 HD23 LEU 22 2HD2 LEU 22 3.873 11.939 -0.100 185 H SER 23 H SER 23 8.583 14.090 -1.447 186 HA SER 23 HA SER 23 10.067 12.037 -2.562 187 HB2 SER 23 2HB SER 23 9.711 13.479 -4.207 188 HB3 SER 23 1HB SER 23 9.715 14.877 -3.122 189 HG SER 23 HG SER 23 12.157 13.743 -3.215 190 H LEU 24 H LEU 24 10.979 14.409 -0.190 191 HA LEU 24 HA LEU 24 13.767 14.170 -0.373 192 HB2 LEU 24 2HB LEU 24 11.867 15.235 1.495 193 HB3 LEU 24 1HB LEU 24 13.098 14.317 2.359 194 HG LEU 24 HG LEU 24 13.672 16.734 1.975 195 HD11 LEU 24 1HD1 LEU 24 15.309 14.722 2.211 196 HD12 LEU 24 2HD1 LEU 24 15.947 16.270 1.656 197 HD13 LEU 24 3HD1 LEU 24 15.614 14.987 0.494 198 HD21 LEU 24 3HD2 LEU 24 12.840 16.133 -0.643 199 HD22 LEU 24 1HD2 LEU 24 14.585 16.373 -0.743 200 HD23 LEU 24 2HD2 LEU 24 13.556 17.642 -0.081 201 H ILE 25 H ILE 25 11.272 12.109 0.990 202 HA ILE 25 HA ILE 25 13.380 10.120 1.604 203 HB ILE 25 HB ILE 25 12.036 11.033 3.582 204 HG12 ILE 25 2HG1 ILE 25 11.538 8.249 3.877 205 HG13 ILE 25 1HG1 ILE 25 12.929 8.393 2.843 206 HG21 ILE 25 1HG2 ILE 25 10.030 8.995 3.012 207 HG22 ILE 25 2HG2 ILE 25 9.899 10.397 1.939 208 HG23 ILE 25 3HG2 ILE 25 9.799 10.604 3.694 209 HD11 ILE 25 3HD1 ILE 25 13.846 8.401 5.028 210 HD12 ILE 25 1HD1 ILE 25 12.562 9.446 5.644 211 HD13 ILE 25 2HD1 ILE 25 13.808 10.107 4.579 212 H ILE 26 H ILE 26 11.705 10.560 -0.925 213 HA ILE 26 HA ILE 26 9.846 8.497 -1.181 214 HB ILE 26 HB ILE 26 11.260 10.390 -2.881 215 HG12 ILE 26 2HG1 ILE 26 8.794 10.337 -2.171 216 HG13 ILE 26 1HG1 ILE 26 9.122 10.642 -3.879 217 HG21 ILE 26 1HG2 ILE 26 10.611 7.691 -3.930 218 HG22 ILE 26 2HG2 ILE 26 12.152 8.521 -4.036 219 HG23 ILE 26 3HG2 ILE 26 10.770 9.086 -4.981 220 HD11 ILE 26 3HD1 ILE 26 7.463 8.680 -2.898 221 HD12 ILE 26 1HD1 ILE 26 8.954 7.816 -3.262 222 HD13 ILE 26 2HD1 ILE 26 8.147 8.751 -4.523 223 H LYS 27 H LYS 27 10.045 6.346 -1.523 224 HA LYS 27 HA LYS 27 12.760 5.323 -2.141 225 HB2 LYS 27 2HB LYS 27 10.777 3.661 -0.618 226 HB3 LYS 27 1HB LYS 27 12.535 3.565 -0.636 227 HG2 LYS 27 2HG LYS 27 11.024 5.924 0.512 228 HG3 LYS 27 1HG LYS 27 11.551 4.549 1.482 229 HD2 LYS 27 2HD LYS 27 13.845 5.181 0.101 230 HD3 LYS 27 1HD LYS 27 13.128 6.770 0.367 231 HE2 LYS 27 2HE LYS 27 12.859 6.174 2.793 232 HE3 LYS 27 1HE LYS 27 13.755 4.688 2.478 233 HZ1 LYS 27 3HZ LYS 27 15.680 5.860 1.979 234 HZ2 LYS 27 1HZ LYS 27 15.046 6.709 3.303 235 HZ3 LYS 27 2HZ LYS 27 14.855 7.325 1.731 236 H THR 28 H THR 28 12.871 3.505 -3.544 237 HA THR 28 HA THR 28 10.356 2.928 -4.994 238 HB THR 28 HB THR 28 11.676 2.815 -7.076 239 HG1 THR 28 1HG THR 28 13.811 4.156 -6.037 240 HG21 THR 28 3HG2 THR 28 11.184 5.198 -5.480 241 HG22 THR 28 1HG2 THR 28 10.936 4.939 -7.207 242 HG23 THR 28 2HG2 THR 28 12.518 5.436 -6.609 243 H SER 29 H SER 29 9.961 0.834 -5.534 244 HA SER 29 HA SER 29 12.072 -1.171 -5.068 245 HB2 SER 29 2HB SER 29 10.072 -2.580 -4.088 246 HB3 SER 29 1HB SER 29 10.952 -1.459 -3.050 247 HG SER 29 HG SER 29 9.212 0.061 -4.054 248 H PHE 30 H PHE 30 12.097 -2.769 -6.581 249 HA PHE 30 HA PHE 30 9.784 -2.927 -8.422 250 HB2 PHE 30 2HB PHE 30 11.455 -3.416 -10.235 251 HB3 PHE 30 1HB PHE 30 11.525 -1.772 -9.602 252 HD1 PHE 30 2HD PHE 30 13.063 -5.158 -9.216 253 HD2 PHE 30 1HD PHE 30 13.528 -0.919 -8.699 254 HE1 PHE 30 2HE PHE 30 15.442 -5.494 -8.603 255 HE2 PHE 30 1HE PHE 30 15.909 -1.256 -8.085 256 HZ PHE 30 HZ PHE 30 16.864 -3.544 -8.035 257 H CYS 31 H CYS 31 9.184 -4.941 -9.149 258 HA CYS 31 HA CYS 31 10.686 -7.241 -8.050 259 HB2 CYS 31 2HB CYS 31 7.695 -7.235 -8.413 260 HB3 CYS 31 1HB CYS 31 8.690 -8.369 -7.494 261 HG CYS 31 HG CYS 31 8.942 -5.539 -6.405 262 H ALA 32 H ALA 32 10.627 -9.157 -9.274 263 HA ALA 32 HA ALA 32 10.037 -8.725 -12.132 264 HB1 ALA 32 1HB ALA 32 12.289 -9.883 -10.654 265 HB2 ALA 32 2HB ALA 32 12.235 -9.237 -12.298 266 HB3 ALA 32 3HB ALA 32 11.728 -10.896 -11.983 267 HA PRO 33 HA PRO 33 7.292 -12.197 -12.241 268 HB2 PRO 33 2HB PRO 33 8.904 -13.650 -14.248 269 HB3 PRO 33 1HB PRO 33 7.266 -12.987 -14.392 270 HG2 PRO 33 2HG PRO 33 9.379 -11.905 -15.647 271 HG3 PRO 33 1HG PRO 33 8.010 -10.940 -15.070 272 HD2 PRO 33 2HD PRO 33 10.745 -11.226 -13.889 273 HD3 PRO 33 1HD PRO 33 9.678 -9.806 -13.942 274 H GLY 34 H GLY 34 7.130 -13.844 -10.784 275 HA2 GLY 34 2HA GLY 34 7.680 -15.716 -9.540 276 HA3 GLY 34 1HA GLY 34 9.037 -15.974 -10.634 277 H GLU 35 H GLU 35 9.167 -12.830 -9.566 278 HA GLU 35 HA GLU 35 11.455 -13.376 -7.888 279 HB2 GLU 35 2HB GLU 35 10.824 -11.314 -9.511 280 HB3 GLU 35 1HB GLU 35 10.384 -10.651 -7.944 281 HG2 GLU 35 2HG GLU 35 12.622 -10.095 -7.993 282 HG3 GLU 35 1HG GLU 35 12.692 -11.677 -7.225 283 H PHE 36 H PHE 36 11.510 -13.564 -5.736 284 HA PHE 36 HA PHE 36 9.026 -13.094 -4.255 285 HB2 PHE 36 2HB PHE 36 11.265 -14.242 -2.770 286 HB3 PHE 36 1HB PHE 36 9.615 -14.833 -2.966 287 HD1 PHE 36 2HD PHE 36 12.930 -14.604 -4.654 288 HD2 PHE 36 1HD PHE 36 9.090 -16.527 -4.548 289 HE1 PHE 36 2HE PHE 36 13.716 -16.266 -6.317 290 HE2 PHE 36 1HE PHE 36 9.878 -18.190 -6.211 291 HZ PHE 36 HZ PHE 36 12.190 -18.059 -7.096 292 H LEU 37 H LEU 37 8.773 -11.163 -3.338 293 HA LEU 37 HA LEU 37 11.126 -9.638 -2.501 294 HB2 LEU 37 2HB LEU 37 8.342 -8.976 -3.222 295 HB3 LEU 37 1HB LEU 37 9.040 -8.008 -1.926 296 HG LEU 37 HG LEU 37 9.464 -7.014 -4.160 297 HD11 LEU 37 1HD1 LEU 37 12.189 -7.852 -3.508 298 HD12 LEU 37 2HD1 LEU 37 11.263 -7.389 -2.080 299 HD13 LEU 37 3HD1 LEU 37 11.455 -6.251 -3.413 300 HD21 LEU 37 3HD2 LEU 37 11.257 -9.389 -4.687 301 HD22 LEU 37 1HD2 LEU 37 10.731 -8.145 -5.821 302 HD23 LEU 37 2HD2 LEU 37 9.585 -9.356 -5.245 303 H ILE 38 H ILE 38 8.417 -11.388 -1.079 304 HA ILE 38 HA ILE 38 9.569 -10.863 1.531 305 HB ILE 38 HB ILE 38 7.172 -9.672 0.767 306 HG12 ILE 38 2HG1 ILE 38 7.029 -9.754 3.492 307 HG13 ILE 38 1HG1 ILE 38 8.745 -10.050 3.233 308 HG21 ILE 38 1HG2 ILE 38 6.677 -11.976 2.640 309 HG22 ILE 38 2HG2 ILE 38 6.121 -11.906 0.982 310 HG23 ILE 38 3HG2 ILE 38 5.494 -10.766 2.152 311 HD11 ILE 38 3HD1 ILE 38 7.127 -7.639 2.546 312 HD12 ILE 38 1HD1 ILE 38 8.437 -8.092 1.443 313 HD13 ILE 38 2HD1 ILE 38 8.785 -7.745 3.145 314 H ARG 39 H ARG 39 9.469 -12.539 2.957 315 HA ARG 39 HA ARG 39 8.153 -14.962 1.947 316 HB2 ARG 39 2HB ARG 39 10.943 -14.761 3.064 317 HB3 ARG 39 1HB ARG 39 10.089 -16.250 2.708 318 HG2 ARG 39 2HG ARG 39 10.591 -14.103 0.666 319 HG3 ARG 39 1HG ARG 39 11.568 -15.553 0.867 320 HD2 ARG 39 2HD ARG 39 9.227 -16.769 0.721 321 HD3 ARG 39 1HD ARG 39 8.769 -15.302 -0.137 322 HE ARG 39 HE ARG 39 10.001 -16.076 -1.933 323 HH11 ARG 39 1HH2 ARG 39 11.071 -17.563 0.999 324 HH12 ARG 39 2HH2 ARG 39 12.203 -18.615 0.215 325 HH21 ARG 39 1HH1 ARG 39 11.483 -17.447 -2.970 326 HH22 ARG 39 2HH1 ARG 39 12.436 -18.548 -2.033 327 H GLN 40 H GLN 40 6.543 -15.253 3.356 328 HA GLN 40 HA GLN 40 5.664 -14.560 5.605 329 HB2 GLN 40 2HB GLN 40 4.767 -16.624 5.130 330 HB3 GLN 40 1HB GLN 40 6.342 -17.374 4.902 331 HG2 GLN 40 2HG GLN 40 6.741 -17.456 7.273 332 HG3 GLN 40 1HG GLN 40 5.331 -16.453 7.603 333 HE21 GLN 40 1HE2 GLN 40 5.384 -19.122 5.237 334 HE22 GLN 40 2HE2 GLN 40 4.287 -20.104 6.079 335 H GLY 41 H GLY 41 6.312 -13.780 7.494 336 HA2 GLY 41 2HA GLY 41 7.433 -13.924 9.588 337 HA3 GLY 41 1HA GLY 41 8.639 -14.965 8.839 338 H ASP 42 H ASP 42 7.931 -12.408 6.798 339 HA ASP 42 HA ASP 42 10.512 -11.196 7.292 340 HB2 ASP 42 2HB ASP 42 8.409 -10.996 5.202 341 HB3 ASP 42 1HB ASP 42 9.457 -9.595 5.425 342 H ALA 43 H ALA 43 10.384 -8.614 6.954 343 HA ALA 43 HA ALA 43 8.576 -7.626 9.075 344 HB1 ALA 43 1HB ALA 43 11.446 -6.960 8.456 345 HB2 ALA 43 2HB ALA 43 10.757 -7.530 9.976 346 HB3 ALA 43 3HB ALA 43 10.431 -5.888 9.421 347 H LEU 44 H LEU 44 7.117 -6.202 8.382 348 HA LEU 44 HA LEU 44 7.564 -4.783 5.848 349 HB2 LEU 44 2HB LEU 44 5.418 -6.130 6.480 350 HB3 LEU 44 1HB LEU 44 5.004 -4.669 7.381 351 HG LEU 44 HG LEU 44 5.354 -3.321 5.332 352 HD11 LEU 44 1HD1 LEU 44 6.333 -5.932 4.364 353 HD12 LEU 44 2HD1 LEU 44 6.727 -4.307 3.806 354 HD13 LEU 44 3HD1 LEU 44 5.255 -5.100 3.244 355 HD21 LEU 44 3HD2 LEU 44 3.376 -4.219 4.090 356 HD22 LEU 44 1HD2 LEU 44 3.113 -4.097 5.829 357 HD23 LEU 44 2HD2 LEU 44 3.457 -5.663 5.097 358 H GLN 45 H GLN 45 8.210 -2.723 5.867 359 HA GLN 45 HA GLN 45 7.599 -1.096 8.262 360 HB2 GLN 45 2HB GLN 45 10.158 -1.678 6.970 361 HB3 GLN 45 1HB GLN 45 9.864 0.047 7.205 362 HG2 GLN 45 2HG GLN 45 9.387 -1.951 9.416 363 HG3 GLN 45 1HG GLN 45 10.973 -1.236 9.147 364 HE21 GLN 45 1HE2 GLN 45 9.832 1.383 8.254 365 HE22 GLN 45 2HE2 GLN 45 9.244 2.128 9.662 366 H ALA 46 H ALA 46 7.786 -1.280 4.783 367 HA ALA 46 HA ALA 46 6.726 1.480 4.634 368 HB1 ALA 46 1HB ALA 46 8.551 -0.006 2.741 369 HB2 ALA 46 2HB ALA 46 8.880 1.494 3.606 370 HB3 ALA 46 3HB ALA 46 7.705 1.473 2.292 371 H ILE 47 H ILE 47 5.459 1.866 2.597 372 HA ILE 47 HA ILE 47 3.728 -0.471 2.015 373 HB ILE 47 HB ILE 47 2.445 1.177 3.212 374 HG12 ILE 47 2HG1 ILE 47 1.866 1.659 0.278 375 HG13 ILE 47 1HG1 ILE 47 1.485 0.137 1.083 376 HG21 ILE 47 1HG2 ILE 47 3.052 3.293 1.176 377 HG22 ILE 47 2HG2 ILE 47 4.209 3.006 2.475 378 HG23 ILE 47 3HG2 ILE 47 2.552 3.473 2.858 379 HD11 ILE 47 3HD1 ILE 47 0.525 2.248 2.743 380 HD12 ILE 47 1HD1 ILE 47 -0.417 1.039 1.871 381 HD13 ILE 47 2HD1 ILE 47 -0.020 2.573 1.098 382 H TYR 48 H TYR 48 3.317 -0.948 -0.132 383 HA TYR 48 HA TYR 48 4.748 0.741 -2.095 384 HB2 TYR 48 2HB TYR 48 4.101 -2.098 -2.753 385 HB3 TYR 48 1HB TYR 48 5.442 -1.098 -3.282 386 HD1 TYR 48 1HD TYR 48 4.147 -2.306 0.064 387 HD2 TYR 48 2HD TYR 48 7.491 -1.839 -2.587 388 HE1 TYR 48 1HE TYR 48 5.627 -3.350 1.750 389 HE2 TYR 48 2HE TYR 48 8.972 -2.888 -0.900 390 HH TYR 48 HH TYR 48 7.760 -3.771 2.315 391 H PHE 49 H PHE 49 3.917 0.904 -4.193 392 HA PHE 49 HA PHE 49 1.042 0.294 -4.529 393 HB2 PHE 49 2HB PHE 49 2.084 2.881 -4.309 394 HB3 PHE 49 1HB PHE 49 1.961 2.606 -6.047 395 HD1 PHE 49 1HD PHE 49 -0.281 1.913 -7.065 396 HD2 PHE 49 2HD PHE 49 0.151 3.195 -2.968 397 HE1 PHE 49 1HE PHE 49 -2.714 2.348 -6.930 398 HE2 PHE 49 2HE PHE 49 -2.291 3.609 -2.848 399 HZ PHE 49 HZ PHE 49 -3.720 3.187 -4.829 400 H VAL 50 H VAL 50 0.611 -0.671 -6.465 401 HA VAL 50 HA VAL 50 2.881 -1.099 -8.245 402 HB VAL 50 HB VAL 50 0.656 -2.634 -7.287 403 HG11 VAL 50 1HG1 VAL 50 -0.270 -1.973 -9.448 404 HG12 VAL 50 2HG1 VAL 50 0.022 -3.704 -9.370 405 HG13 VAL 50 3HG1 VAL 50 1.122 -2.654 -10.272 406 HG21 VAL 50 3HG2 VAL 50 2.078 -4.491 -8.226 407 HG22 VAL 50 1HG2 VAL 50 2.938 -3.408 -7.132 408 HG23 VAL 50 2HG2 VAL 50 3.161 -3.258 -8.876 409 H CYS 51 H CYS 51 2.984 -0.200 -10.216 410 HA CYS 51 HA CYS 51 0.706 1.479 -11.029 411 HB2 CYS 51 2HB CYS 51 2.652 2.800 -10.924 412 HB3 CYS 51 1HB CYS 51 3.655 1.538 -11.639 413 HG CYS 51 HG CYS 51 1.920 3.532 -13.193 414 H SER 52 H SER 52 2.630 -1.258 -11.951 415 HA SER 52 HA SER 52 0.757 -2.078 -13.942 416 HB2 SER 52 2HB SER 52 1.651 -1.239 -15.819 417 HB3 SER 52 1HB SER 52 2.768 -0.303 -14.831 418 HG SER 52 HG SER 52 4.216 -2.001 -14.912 419 H GLY 53 H GLY 53 1.037 -4.234 -14.489 420 HA2 GLY 53 2HA GLY 53 2.599 -6.140 -14.733 421 HA3 GLY 53 1HA GLY 53 3.355 -5.593 -13.240 422 H SER 54 H SER 54 2.928 -7.778 -12.399 423 HA SER 54 HA SER 54 0.336 -7.850 -11.062 424 HB2 SER 54 2HB SER 54 0.622 -10.473 -12.098 425 HB3 SER 54 1HB SER 54 -0.663 -9.313 -12.420 426 HG SER 54 HG SER 54 0.193 -9.586 -14.374 427 H MET 55 H MET 55 0.334 -9.047 -9.171 428 HA MET 55 HA MET 55 2.513 -10.871 -8.610 429 HB2 MET 55 2HB MET 55 3.194 -9.585 -6.533 430 HB3 MET 55 1HB MET 55 3.702 -8.884 -8.068 431 HG2 MET 55 2HG MET 55 2.643 -6.994 -7.545 432 HG3 MET 55 1HG MET 55 1.113 -7.869 -7.515 433 HE1 MET 55 3HE MET 55 4.168 -6.584 -5.653 434 HE2 MET 55 1HE MET 55 3.414 -6.051 -4.144 435 HE3 MET 55 2HE MET 55 2.860 -5.405 -5.686 436 H GLU 56 H GLU 56 2.359 -11.779 -6.377 437 HA GLU 56 HA GLU 56 -0.264 -11.585 -5.109 438 HB2 GLU 56 2HB GLU 56 0.559 -14.342 -5.860 439 HB3 GLU 56 1HB GLU 56 -1.056 -13.665 -5.686 440 HG2 GLU 56 2HG GLU 56 -0.791 -12.446 -7.792 441 HG3 GLU 56 1HG GLU 56 0.852 -13.073 -7.975 442 H VAL 57 H VAL 57 -0.314 -12.483 -3.009 443 HA VAL 57 HA VAL 57 2.332 -13.072 -1.880 444 HB VAL 57 HB VAL 57 1.573 -12.348 0.168 445 HG11 VAL 57 1HG1 VAL 57 1.401 -10.425 -1.250 446 HG12 VAL 57 2HG1 VAL 57 -0.029 -10.420 -0.217 447 HG13 VAL 57 3HG1 VAL 57 -0.151 -10.957 -1.892 448 HG21 VAL 57 3HG2 VAL 57 -0.996 -12.255 0.590 449 HG22 VAL 57 1HG2 VAL 57 -0.175 -13.813 0.671 450 HG23 VAL 57 2HG2 VAL 57 -1.091 -13.375 -0.770 451 H LEU 58 H LEU 58 2.866 -15.078 -1.126 452 HA LEU 58 HA LEU 58 0.885 -17.189 -1.602 453 HB2 LEU 58 2HB LEU 58 3.646 -16.885 -2.244 454 HB3 LEU 58 1HB LEU 58 3.467 -18.282 -1.184 455 HG LEU 58 HG LEU 58 1.982 -17.768 -3.779 456 HD11 LEU 58 1HD1 LEU 58 3.159 -20.254 -3.894 457 HD12 LEU 58 2HD1 LEU 58 4.348 -19.326 -2.978 458 HD13 LEU 58 3HD1 LEU 58 3.848 -18.782 -4.580 459 HD21 LEU 58 3HD2 LEU 58 1.437 -20.360 -2.974 460 HD22 LEU 58 1HD2 LEU 58 0.332 -18.993 -2.813 461 HD23 LEU 58 2HD2 LEU 58 1.362 -19.461 -1.458 462 H LYS 59 H LYS 59 -0.050 -18.158 0.011 463 HA LYS 59 HA LYS 59 1.417 -19.006 2.316 464 HB2 LYS 59 2HB LYS 59 1.108 -16.822 3.113 465 HB3 LYS 59 1HB LYS 59 -0.536 -16.743 2.530 466 HG2 LYS 59 2HG LYS 59 -0.558 -17.067 4.951 467 HG3 LYS 59 1HG LYS 59 -1.173 -18.518 4.169 468 HD2 LYS 59 2HD LYS 59 0.394 -19.150 5.930 469 HD3 LYS 59 1HD LYS 59 1.103 -19.541 4.370 470 HE2 LYS 59 2HE LYS 59 2.631 -18.361 6.047 471 HE3 LYS 59 1HE LYS 59 2.553 -17.651 4.433 472 HZ1 LYS 59 3HZ LYS 59 2.274 -16.144 6.493 473 HZ2 LYS 59 1HZ LYS 59 0.697 -16.762 6.547 474 HZ3 LYS 59 2HZ LYS 59 1.232 -15.923 5.170 475 H ASP 60 H ASP 60 0.392 -20.643 3.426 476 HA ASP 60 HA ASP 60 -1.051 -22.382 3.777 477 HB2 ASP 60 2HB ASP 60 -2.898 -20.117 3.118 478 HB3 ASP 60 1HB ASP 60 -3.547 -21.745 3.319 479 H ASN 61 H ASN 61 0.282 -22.453 1.341 480 HA ASN 61 HA ASN 61 0.266 -23.674 -0.601 481 HB2 ASN 61 2HB ASN 61 -1.560 -24.927 1.042 482 HB3 ASN 61 1HB ASN 61 -2.485 -24.641 -0.431 483 HD21 ASN 61 1HD2 ASN 61 -1.391 -27.244 0.614 484 HD22 ASN 61 2HD2 ASN 61 -0.401 -27.840 -0.629 485 H THR 62 H THR 62 -1.898 -21.166 0.008 486 HA THR 62 HA THR 62 -2.496 -20.980 -2.883 487 HB THR 62 HB THR 62 -4.368 -20.086 -0.708 488 HG1 THR 62 1HG THR 62 -4.882 -22.211 -2.455 489 HG21 THR 62 3HG2 THR 62 -4.659 -20.329 -3.719 490 HG22 THR 62 1HG2 THR 62 -4.550 -18.807 -2.821 491 HG23 THR 62 2HG2 THR 62 -5.953 -19.868 -2.614 492 H VAL 63 H VAL 63 -2.783 -18.845 -3.672 493 HA VAL 63 HA VAL 63 -0.976 -17.005 -2.471 494 HB VAL 63 HB VAL 63 -2.342 -15.526 -4.292 495 HG11 VAL 63 1HG1 VAL 63 -0.058 -17.470 -4.678 496 HG12 VAL 63 2HG1 VAL 63 0.060 -15.757 -4.272 497 HG13 VAL 63 3HG1 VAL 63 -0.510 -16.249 -5.868 498 HG21 VAL 63 3HG2 VAL 63 -3.796 -17.472 -4.813 499 HG22 VAL 63 1HG2 VAL 63 -2.353 -18.405 -5.208 500 HG23 VAL 63 2HG2 VAL 63 -2.801 -17.017 -6.199 501 H LEU 64 H LEU 64 -1.465 -15.788 -0.741 502 HA LEU 64 HA LEU 64 -4.158 -15.632 0.196 503 HB2 LEU 64 2HB LEU 64 -1.626 -15.297 1.320 504 HB3 LEU 64 1HB LEU 64 -2.364 -13.703 1.421 505 HG LEU 64 HG LEU 64 -4.458 -15.187 2.251 506 HD11 LEU 64 1HD1 LEU 64 -2.593 -17.152 2.021 507 HD12 LEU 64 2HD1 LEU 64 -3.905 -17.196 3.200 508 HD13 LEU 64 3HD1 LEU 64 -2.302 -16.636 3.687 509 HD21 LEU 64 3HD2 LEU 64 -3.261 -13.277 3.401 510 HD22 LEU 64 1HD2 LEU 64 -2.147 -14.468 4.074 511 HD23 LEU 64 2HD2 LEU 64 -3.860 -14.527 4.492 512 H ALA 65 H ALA 65 -2.405 -13.835 -2.087 513 HA ALA 65 HA ALA 65 -4.594 -11.902 -2.152 514 HB1 ALA 65 1HB ALA 65 -3.466 -10.151 -1.344 515 HB2 ALA 65 2HB ALA 65 -2.176 -10.405 -2.518 516 HB3 ALA 65 3HB ALA 65 -2.123 -11.223 -0.957 517 H ILE 66 H ILE 66 -5.151 -11.398 -4.156 518 HA ILE 66 HA ILE 66 -3.243 -11.974 -6.336 519 HB ILE 66 HB ILE 66 -6.154 -12.106 -6.880 520 HG12 ILE 66 2HG1 ILE 66 -5.821 -13.369 -4.716 521 HG13 ILE 66 1HG1 ILE 66 -6.354 -14.356 -6.063 522 HG21 ILE 66 1HG2 ILE 66 -4.484 -12.430 -8.654 523 HG22 ILE 66 2HG2 ILE 66 -5.372 -13.927 -8.371 524 HG23 ILE 66 3HG2 ILE 66 -3.740 -13.735 -7.731 525 HD11 ILE 66 3HD1 ILE 66 -4.144 -15.214 -6.440 526 HD12 ILE 66 1HD1 ILE 66 -4.481 -15.393 -4.707 527 HD13 ILE 66 2HD1 ILE 66 -3.458 -14.062 -5.298 528 H LEU 67 H LEU 67 -2.577 -9.902 -6.893 529 HA LEU 67 HA LEU 67 -4.751 -8.009 -7.497 530 HB2 LEU 67 2HB LEU 67 -2.748 -6.343 -6.702 531 HB3 LEU 67 1HB LEU 67 -4.114 -6.827 -5.702 532 HG LEU 67 HG LEU 67 -2.738 -8.791 -4.926 533 HD11 LEU 67 1HD1 LEU 67 -1.242 -8.438 -7.057 534 HD12 LEU 67 2HD1 LEU 67 -0.506 -9.028 -5.566 535 HD13 LEU 67 3HD1 LEU 67 -0.360 -7.327 -6.015 536 HD21 LEU 67 3HD2 LEU 67 -2.631 -6.084 -4.149 537 HD22 LEU 67 1HD2 LEU 67 -0.955 -6.629 -4.158 538 HD23 LEU 67 2HD2 LEU 67 -2.151 -7.477 -3.180 539 H GLY 68 H GLY 68 -4.135 -6.199 -8.860 540 HA2 GLY 68 2HA GLY 68 -1.958 -6.865 -10.748 541 HA3 GLY 68 1HA GLY 68 -3.552 -6.373 -11.310 542 H LYS 69 H LYS 69 -2.647 -4.581 -12.398 543 HA LYS 69 HA LYS 69 -0.966 -2.638 -11.387 544 HB2 LYS 69 2HB LYS 69 -3.226 -2.133 -13.312 545 HB3 LYS 69 1HB LYS 69 -1.677 -1.313 -13.213 546 HG2 LYS 69 2HG LYS 69 -1.100 -2.769 -14.874 547 HG3 LYS 69 1HG LYS 69 -0.817 -3.860 -13.517 548 HD2 LYS 69 2HD LYS 69 -2.254 -5.212 -14.677 549 HD3 LYS 69 1HD LYS 69 -3.480 -4.233 -13.870 550 HE2 LYS 69 2HE LYS 69 -2.301 -3.506 -16.562 551 HE3 LYS 69 1HE LYS 69 -3.772 -4.462 -16.384 552 HZ1 LYS 69 3HZ LYS 69 -4.411 -2.485 -14.809 553 HZ2 LYS 69 1HZ LYS 69 -4.652 -2.383 -16.484 554 HZ3 LYS 69 2HZ LYS 69 -3.300 -1.638 -15.777 555 H GLY 70 H GLY 70 -1.177 -0.852 -10.173 556 HA2 GLY 70 2HA GLY 70 -2.178 0.931 -9.078 557 HA3 GLY 70 1HA GLY 70 -3.748 0.328 -9.555 558 H ASP 71 H ASP 71 -2.831 -2.393 -8.425 559 HA ASP 71 HA ASP 71 -4.204 -2.364 -6.044 560 HB2 ASP 71 2HB ASP 71 -3.392 -4.496 -5.675 561 HB3 ASP 71 1HB ASP 71 -3.112 -4.318 -7.406 562 H LEU 72 H LEU 72 -3.122 -2.950 -3.848 563 HA LEU 72 HA LEU 72 -0.762 -1.287 -3.326 564 HB2 LEU 72 2HB LEU 72 -2.738 0.151 -2.905 565 HB3 LEU 72 1HB LEU 72 -3.333 -1.038 -1.745 566 HG LEU 72 HG LEU 72 -0.946 -0.772 -0.674 567 HD11 LEU 72 1HD1 LEU 72 0.243 1.149 -1.157 568 HD12 LEU 72 2HD1 LEU 72 -1.191 2.026 -1.691 569 HD13 LEU 72 3HD1 LEU 72 -0.451 0.821 -2.746 570 HD21 LEU 72 3HD2 LEU 72 -2.455 -0.023 0.843 571 HD22 LEU 72 1HD2 LEU 72 -3.461 0.719 -0.403 572 HD23 LEU 72 2HD2 LEU 72 -2.068 1.590 0.241 573 H ILE 73 H ILE 73 0.530 -2.055 -1.742 574 HA ILE 73 HA ILE 73 -0.349 -4.501 -0.370 575 HB ILE 73 HB ILE 73 1.360 -5.074 -1.925 576 HG12 ILE 73 2HG1 ILE 73 3.229 -5.753 -0.464 577 HG13 ILE 73 1HG1 ILE 73 2.634 -4.670 0.794 578 HG21 ILE 73 1HG2 ILE 73 2.331 -2.487 -1.110 579 HG22 ILE 73 2HG2 ILE 73 2.381 -3.287 -2.678 580 HG23 ILE 73 3HG2 ILE 73 3.572 -3.698 -1.439 581 HD11 ILE 73 3HD1 ILE 73 0.859 -6.808 -0.374 582 HD12 ILE 73 1HD1 ILE 73 0.708 -5.977 1.174 583 HD13 ILE 73 2HD1 ILE 73 1.978 -7.178 0.937 584 H GLY 74 H GLY 74 -0.476 -4.401 1.778 585 HA2 GLY 74 2HA GLY 74 1.127 -3.753 3.727 586 HA3 GLY 74 1HA GLY 74 0.775 -2.124 3.158 587 H SER 75 H SER 75 0.158 -3.268 5.761 588 HA SER 75 HA SER 75 -2.683 -3.796 5.833 589 HB2 SER 75 2HB SER 75 -1.973 -3.203 8.416 590 HB3 SER 75 1HB SER 75 -1.881 -4.808 7.693 591 HG SER 75 HG SER 75 0.158 -2.842 7.891 592 H ASP 76 H ASP 76 -4.308 -2.425 6.516 593 HA ASP 76 HA ASP 76 -3.831 0.397 6.131 594 HB2 ASP 76 2HB ASP 76 -5.936 -1.056 5.513 595 HB3 ASP 76 1HB ASP 76 -6.421 -0.690 7.167 596 H SER 77 H SER 77 -5.472 1.664 7.862 597 HA SER 77 HA SER 77 -5.639 2.521 9.991 598 HB2 SER 77 2HB SER 77 -5.644 1.055 11.808 599 HB3 SER 77 1HB SER 77 -6.030 -0.017 10.465 600 HG SER 77 HG SER 77 -3.338 0.409 11.020 601 H LEU 78 H LEU 78 -3.410 3.105 8.414 602 HA LEU 78 HA LEU 78 -0.896 2.763 9.513 603 HB2 LEU 78 2HB LEU 78 -2.176 4.856 7.829 604 HB3 LEU 78 1HB LEU 78 -0.621 5.244 8.565 605 HG LEU 78 HG LEU 78 0.333 3.164 7.620 606 HD11 LEU 78 1HD1 LEU 78 -2.487 2.670 7.069 607 HD12 LEU 78 2HD1 LEU 78 -1.138 1.535 7.101 608 HD13 LEU 78 3HD1 LEU 78 -1.487 2.450 5.634 609 HD21 LEU 78 3HD2 LEU 78 0.776 4.958 6.208 610 HD22 LEU 78 1HD2 LEU 78 -0.931 5.244 5.856 611 HD23 LEU 78 2HD2 LEU 78 -0.086 3.880 5.116 612 H THR 79 H THR 79 -3.549 4.301 10.921 613 HA THR 79 HA THR 79 -2.121 6.269 12.464 614 HB THR 79 HB THR 79 -4.761 5.231 13.368 615 HG1 THR 79 1HG THR 79 -5.618 6.657 11.628 616 HG21 THR 79 3HG2 THR 79 -5.166 7.706 13.519 617 HG22 THR 79 1HG2 THR 79 -3.518 7.960 12.944 618 HG23 THR 79 2HG2 THR 79 -3.800 7.151 14.486 619 H LYS 80 H LYS 80 -2.166 2.965 12.568 620 HA LYS 80 HA LYS 80 -2.238 2.615 15.442 621 HB2 LYS 80 2HB LYS 80 -2.915 0.898 13.627 622 HB3 LYS 80 1HB LYS 80 -1.184 0.593 13.479 623 HG2 LYS 80 2HG LYS 80 -1.576 0.591 16.219 624 HG3 LYS 80 1HG LYS 80 -3.036 -0.191 15.610 625 HD2 LYS 80 2HD LYS 80 -0.208 -0.976 14.848 626 HD3 LYS 80 1HD LYS 80 -1.207 -1.823 16.029 627 HE2 LYS 80 2HE LYS 80 -2.939 -2.116 14.202 628 HE3 LYS 80 1HE LYS 80 -1.736 -1.505 13.065 629 HZ1 LYS 80 3HZ LYS 80 -1.373 -3.859 14.839 630 HZ2 LYS 80 1HZ LYS 80 -0.256 -3.286 13.699 631 HZ3 LYS 80 2HZ LYS 80 -1.741 -3.929 13.182 632 H GLU 81 H GLU 81 0.033 3.751 13.264 633 HA GLU 81 HA GLU 81 2.404 3.562 13.213 634 HB2 GLU 81 2HB GLU 81 1.343 5.144 15.507 635 HB3 GLU 81 1HB GLU 81 3.086 4.895 15.407 636 HG2 GLU 81 2HG GLU 81 3.300 6.215 13.565 637 HG3 GLU 81 1HG GLU 81 1.789 5.644 12.860 638 H GLN 82 H GLN 82 3.003 1.403 13.395 639 HA GLN 82 HA GLN 82 4.426 0.714 15.770 640 HB2 GLN 82 2HB GLN 82 1.706 0.002 15.787 641 HB3 GLN 82 1HB GLN 82 2.591 -1.471 15.409 642 HG2 GLN 82 2HG GLN 82 2.299 -1.137 17.853 643 HG3 GLN 82 1HG GLN 82 3.982 -1.222 17.351 644 HE21 GLN 82 1HE2 GLN 82 1.441 1.014 18.448 645 HE22 GLN 82 2HE2 GLN 82 2.498 2.277 18.854 646 H VAL 83 H VAL 83 5.258 -1.616 15.593 647 HA VAL 83 HA VAL 83 6.386 -1.918 12.972 648 HB VAL 83 HB VAL 83 7.818 -2.385 14.823 649 HG11 VAL 83 1HG1 VAL 83 5.454 -3.312 15.972 650 HG12 VAL 83 2HG1 VAL 83 7.049 -3.317 16.722 651 HG13 VAL 83 3HG1 VAL 83 6.474 -4.744 15.857 652 HG21 VAL 83 3HG2 VAL 83 8.699 -4.420 14.106 653 HG22 VAL 83 1HG2 VAL 83 7.668 -4.014 12.735 654 HG23 VAL 83 2HG2 VAL 83 7.110 -5.168 13.946 655 H ILE 84 H ILE 84 5.484 -2.980 11.338 656 HA ILE 84 HA ILE 84 3.612 -5.192 11.954 657 HB ILE 84 HB ILE 84 3.396 -3.925 9.307 658 HG12 ILE 84 2HG1 ILE 84 2.551 -2.424 11.808 659 HG13 ILE 84 1HG1 ILE 84 3.871 -1.947 10.740 660 HG21 ILE 84 1HG2 ILE 84 1.843 -5.650 10.161 661 HG22 ILE 84 2HG2 ILE 84 0.998 -4.135 9.842 662 HG23 ILE 84 3HG2 ILE 84 1.403 -4.588 11.498 663 HD11 ILE 84 3HD1 ILE 84 1.615 -2.395 9.081 664 HD12 ILE 84 1HD1 ILE 84 2.387 -0.854 9.452 665 HD13 ILE 84 2HD1 ILE 84 1.052 -1.434 10.448 666 H LYS 85 H LYS 85 4.348 -7.078 11.464 667 HA LYS 85 HA LYS 85 6.482 -7.300 9.478 668 HB2 LYS 85 2HB LYS 85 5.618 -9.714 10.933 669 HB3 LYS 85 1HB LYS 85 7.239 -9.100 10.633 670 HG2 LYS 85 2HG LYS 85 6.434 -7.190 12.309 671 HG3 LYS 85 1HG LYS 85 5.367 -8.477 12.861 672 HD2 LYS 85 2HD LYS 85 7.134 -9.109 14.142 673 HD3 LYS 85 1HD LYS 85 7.754 -9.808 12.648 674 HE2 LYS 85 2HE LYS 85 8.536 -7.268 14.011 675 HE3 LYS 85 1HE LYS 85 9.546 -8.498 13.252 676 HZ1 LYS 85 3HZ LYS 85 8.545 -7.766 11.091 677 HZ2 LYS 85 1HZ LYS 85 9.576 -6.640 11.829 678 HZ3 LYS 85 2HZ LYS 85 7.893 -6.434 11.919 679 H THR 86 H THR 86 6.376 -9.415 8.238 680 HA THR 86 HA THR 86 3.699 -9.628 7.010 681 HB THR 86 HB THR 86 6.424 -10.167 5.806 682 HG1 THR 86 1HG THR 86 5.596 -7.933 6.234 683 HG21 THR 86 3HG2 THR 86 4.405 -9.900 3.846 684 HG22 THR 86 1HG2 THR 86 3.775 -11.018 5.056 685 HG23 THR 86 2HG2 THR 86 5.312 -11.354 4.259 686 H ASN 87 H ASN 87 2.639 -11.439 7.405 687 HA ASN 87 HA ASN 87 4.018 -13.759 8.484 688 HB2 ASN 87 2HB ASN 87 1.877 -13.003 9.453 689 HB3 ASN 87 1HB ASN 87 1.080 -13.323 7.913 690 HD21 ASN 87 1HD2 ASN 87 2.351 -14.808 10.819 691 HD22 ASN 87 2HD2 ASN 87 1.906 -16.399 10.429 692 H ALA 88 H ALA 88 2.432 -12.791 5.499 693 HA ALA 88 HA ALA 88 2.700 -15.492 4.403 694 HB1 ALA 88 1HB ALA 88 1.701 -14.107 2.330 695 HB2 ALA 88 2HB ALA 88 1.175 -13.053 3.645 696 HB3 ALA 88 3HB ALA 88 0.668 -14.746 3.619 697 H ASN 89 H ASN 89 3.228 -15.146 1.833 698 HA ASN 89 HA ASN 89 5.880 -13.821 1.809 699 HB2 ASN 89 2HB ASN 89 5.006 -16.237 0.179 700 HB3 ASN 89 1HB ASN 89 6.623 -15.545 0.255 701 HD21 ASN 89 1HD2 ASN 89 4.139 -16.740 2.597 702 HD22 ASN 89 2HD2 ASN 89 5.257 -17.559 3.577 703 H VAL 90 H VAL 90 6.529 -13.174 -0.482 704 HA VAL 90 HA VAL 90 4.230 -12.345 -2.085 705 HB VAL 90 HB VAL 90 6.326 -10.744 -0.775 706 HG11 VAL 90 1HG1 VAL 90 6.839 -10.506 -3.132 707 HG12 VAL 90 2HG1 VAL 90 6.184 -9.004 -2.492 708 HG13 VAL 90 3HG1 VAL 90 5.173 -10.064 -3.479 709 HG21 VAL 90 3HG2 VAL 90 3.830 -10.805 -0.190 710 HG22 VAL 90 1HG2 VAL 90 3.563 -9.952 -1.710 711 HG23 VAL 90 2HG2 VAL 90 4.530 -9.206 -0.437 712 H LYS 91 H LYS 91 4.416 -13.015 -4.076 713 HA LYS 91 HA LYS 91 7.108 -13.226 -5.257 714 HB2 LYS 91 2HB LYS 91 6.168 -15.478 -4.631 715 HB3 LYS 91 1HB LYS 91 4.846 -15.169 -5.758 716 HG2 LYS 91 2HG LYS 91 6.812 -14.644 -7.442 717 HG3 LYS 91 1HG LYS 91 7.751 -15.643 -6.332 718 HD2 LYS 91 2HD LYS 91 5.397 -17.085 -6.660 719 HD3 LYS 91 1HD LYS 91 5.710 -16.438 -8.271 720 HE2 LYS 91 2HE LYS 91 6.968 -18.392 -8.335 721 HE3 LYS 91 1HE LYS 91 8.179 -17.239 -7.775 722 HZ1 LYS 91 3HZ LYS 91 6.524 -18.971 -6.020 723 HZ2 LYS 91 1HZ LYS 91 7.731 -17.895 -5.509 724 HZ3 LYS 91 2HZ LYS 91 8.147 -19.260 -6.432 725 H ALA 92 H ALA 92 7.226 -11.842 -6.895 726 HA ALA 92 HA ALA 92 4.929 -10.641 -8.082 727 HB1 ALA 92 1HB ALA 92 7.870 -10.462 -8.402 728 HB2 ALA 92 2HB ALA 92 6.666 -9.178 -8.311 729 HB3 ALA 92 3HB ALA 92 6.913 -10.048 -9.825 730 H LEU 93 H LEU 93 3.642 -11.598 -9.476 731 HA LEU 93 HA LEU 93 4.278 -14.049 -10.785 732 HB2 LEU 93 2HB LEU 93 1.957 -12.602 -10.166 733 HB3 LEU 93 1HB LEU 93 2.009 -12.657 -11.928 734 HG LEU 93 HG LEU 93 2.253 -15.092 -11.875 735 HD11 LEU 93 1HD1 LEU 93 2.763 -14.532 -9.024 736 HD12 LEU 93 2HD1 LEU 93 3.305 -15.883 -10.019 737 HD13 LEU 93 3HD1 LEU 93 1.691 -15.902 -9.310 738 HD21 LEU 93 3HD2 LEU 93 -0.012 -14.636 -11.960 739 HD22 LEU 93 1HD2 LEU 93 0.009 -13.736 -10.444 740 HD23 LEU 93 2HD2 LEU 93 0.045 -15.501 -10.423 741 H THR 94 H THR 94 3.767 -10.718 -11.871 742 HA THR 94 HA THR 94 5.334 -11.318 -14.297 743 HB THR 94 HB THR 94 3.059 -9.355 -14.336 744 HG1 THR 94 1HG THR 94 1.741 -11.029 -15.051 745 HG21 THR 94 3HG2 THR 94 3.649 -11.000 -16.681 746 HG22 THR 94 1HG2 THR 94 5.044 -10.071 -16.132 747 HG23 THR 94 2HG2 THR 94 3.540 -9.246 -16.539 748 H TYR 95 H TYR 95 6.667 -9.627 -15.009 749 HA TYR 95 HA TYR 95 7.913 -8.058 -13.139 750 HB2 TYR 95 2HB TYR 95 8.035 -6.505 -15.446 751 HB3 TYR 95 1HB TYR 95 9.172 -7.769 -14.973 752 HD1 TYR 95 2HD TYR 95 5.800 -7.384 -16.584 753 HD2 TYR 95 1HD TYR 95 9.497 -9.563 -16.428 754 HE1 TYR 95 2HE TYR 95 5.074 -8.751 -18.521 755 HE2 TYR 95 1HE TYR 95 8.774 -10.931 -18.368 756 HH TYR 95 HH TYR 95 6.712 -10.217 -20.449 757 H CYS 96 H CYS 96 7.298 -6.409 -11.926 758 HA CYS 96 HA CYS 96 5.337 -4.507 -12.992 759 HB2 CYS 96 2HB CYS 96 3.840 -4.722 -11.232 760 HB3 CYS 96 1HB CYS 96 4.346 -6.391 -11.468 761 HG CYS 96 HG CYS 96 5.207 -6.356 -9.155 762 H ASP 97 H ASP 97 5.509 -2.453 -12.224 763 HA ASP 97 HA ASP 97 7.967 -1.849 -10.730 764 HB2 ASP 97 2HB ASP 97 7.701 -0.628 -12.813 765 HB3 ASP 97 1HB ASP 97 6.093 -0.090 -12.332 766 H LEU 98 H LEU 98 7.875 -1.229 -8.641 767 HA LEU 98 HA LEU 98 5.251 -0.357 -7.609 768 HB2 LEU 98 2HB LEU 98 7.160 -1.899 -5.895 769 HB3 LEU 98 1HB LEU 98 5.414 -1.734 -5.750 770 HG LEU 98 HG LEU 98 5.378 -2.945 -8.085 771 HD11 LEU 98 1HD1 LEU 98 7.617 -3.145 -8.706 772 HD12 LEU 98 2HD1 LEU 98 7.335 -4.704 -7.937 773 HD13 LEU 98 3HD1 LEU 98 8.159 -3.423 -7.051 774 HD21 LEU 98 3HD2 LEU 98 4.623 -3.780 -5.765 775 HD22 LEU 98 1HD2 LEU 98 6.175 -4.615 -5.696 776 HD23 LEU 98 2HD2 LEU 98 5.017 -5.008 -6.967 777 H GLN 99 H GLN 99 5.217 1.354 -6.277 778 HA GLN 99 HA GLN 99 7.819 2.577 -5.591 779 HB2 GLN 99 2HB GLN 99 5.743 4.469 -5.269 780 HB3 GLN 99 1HB GLN 99 6.989 4.449 -6.518 781 HG2 GLN 99 2HG GLN 99 5.609 3.171 -8.002 782 HG3 GLN 99 1HG GLN 99 4.437 2.836 -6.728 783 HE21 GLN 99 1HE2 GLN 99 5.388 5.144 -9.160 784 HE22 GLN 99 2HE2 GLN 99 4.184 6.293 -8.824 785 H TYR 100 H TYR 100 8.256 2.881 -3.463 786 HA TYR 100 HA TYR 100 6.064 2.785 -1.545 787 HB2 TYR 100 2HB TYR 100 6.978 1.045 -0.202 788 HB3 TYR 100 1HB TYR 100 6.911 0.419 -1.844 789 HD1 TYR 100 2HD TYR 100 9.460 2.365 -2.555 790 HD2 TYR 100 1HD TYR 100 8.635 -0.711 0.321 791 HE1 TYR 100 2HE TYR 100 11.871 1.832 -2.426 792 HE2 TYR 100 1HE TYR 100 11.048 -1.245 0.431 793 HH TYR 100 HH TYR 100 13.448 0.728 -1.241 794 H ILE 101 H ILE 101 6.810 3.198 0.679 795 HA ILE 101 HA ILE 101 9.309 4.628 0.951 796 HB ILE 101 HB ILE 101 8.477 6.662 0.506 797 HG12 ILE 101 2HG1 ILE 101 8.040 6.543 3.063 798 HG13 ILE 101 1HG1 ILE 101 7.181 7.772 2.144 799 HG21 ILE 101 1HG2 ILE 101 5.868 5.180 0.473 800 HG22 ILE 101 2HG2 ILE 101 6.806 5.735 -0.919 801 HG23 ILE 101 3HG2 ILE 101 5.966 6.902 0.108 802 HD11 ILE 101 3HD1 ILE 101 5.887 6.104 3.806 803 HD12 ILE 101 1HD1 ILE 101 5.874 5.107 2.352 804 HD13 ILE 101 2HD1 ILE 101 5.148 6.707 2.320 805 H SER 102 H SER 102 9.780 5.163 3.185 806 HA SER 102 HA SER 102 8.642 3.207 4.986 807 HB2 SER 102 2HB SER 102 10.289 4.064 6.591 808 HB3 SER 102 1HB SER 102 11.055 3.740 5.037 809 HG SER 102 HG SER 102 9.977 6.279 5.510 810 H LEU 103 H LEU 103 6.953 3.543 6.274 811 HA LEU 103 HA LEU 103 5.338 5.773 6.268 812 HB2 LEU 103 2HB LEU 103 5.112 3.363 7.392 813 HB3 LEU 103 1HB LEU 103 5.522 4.293 8.835 814 HG LEU 103 HG LEU 103 3.368 5.185 6.907 815 HD11 LEU 103 1HD1 LEU 103 3.252 3.274 9.222 816 HD12 LEU 103 2HD1 LEU 103 2.539 3.115 7.618 817 HD13 LEU 103 3HD1 LEU 103 1.850 4.248 8.780 818 HD21 LEU 103 3HD2 LEU 103 4.372 5.987 9.614 819 HD22 LEU 103 1HD2 LEU 103 2.650 6.169 9.277 820 HD23 LEU 103 2HD2 LEU 103 3.837 7.001 8.272 821 H LYS 104 H LYS 104 8.283 5.234 8.034 822 HA LYS 104 HA LYS 104 7.949 7.291 9.984 823 HB2 LYS 104 2HB LYS 104 10.244 5.685 8.927 824 HB3 LYS 104 1HB LYS 104 10.590 7.139 9.865 825 HG2 LYS 104 2HG LYS 104 10.455 5.103 11.295 826 HG3 LYS 104 1HG LYS 104 9.237 6.304 11.723 827 HD2 LYS 104 2HD LYS 104 7.495 5.077 10.723 828 HD3 LYS 104 1HD LYS 104 8.609 4.119 9.746 829 HE2 LYS 104 2HE LYS 104 8.414 3.980 12.769 830 HE3 LYS 104 1HE LYS 104 7.667 2.828 11.662 831 HZ1 LYS 104 3HZ LYS 104 10.348 3.135 10.931 832 HZ2 LYS 104 1HZ LYS 104 9.580 1.754 11.547 833 HZ3 LYS 104 2HZ LYS 104 10.302 2.868 12.607 834 H GLY 105 H GLY 105 9.551 7.123 6.828 835 HA2 GLY 105 2HA GLY 105 10.483 9.802 6.759 836 HA3 GLY 105 1HA GLY 105 10.256 8.747 5.371 837 H LEU 106 H LEU 106 7.582 8.223 5.451 838 HA LEU 106 HA LEU 106 6.513 10.474 4.160 839 HB2 LEU 106 2HB LEU 106 5.657 8.409 3.516 840 HB3 LEU 106 1HB LEU 106 5.311 7.920 5.169 841 HG LEU 106 HG LEU 106 3.980 10.403 4.232 842 HD11 LEU 106 1HD1 LEU 106 3.882 8.823 2.260 843 HD12 LEU 106 2HD1 LEU 106 2.307 9.259 2.926 844 HD13 LEU 106 3HD1 LEU 106 3.017 7.688 3.296 845 HD21 LEU 106 3HD2 LEU 106 3.276 7.970 5.887 846 HD22 LEU 106 1HD2 LEU 106 2.045 9.121 5.379 847 HD23 LEU 106 2HD2 LEU 106 3.376 9.652 6.403 848 H ARG 107 H ARG 107 5.951 9.229 7.450 849 HA ARG 107 HA ARG 107 3.897 11.096 7.986 850 HB2 ARG 107 2HB ARG 107 3.928 9.104 9.287 851 HB3 ARG 107 1HB ARG 107 5.561 9.426 9.839 852 HG2 ARG 107 2HG ARG 107 3.894 10.015 11.569 853 HG3 ARG 107 1HG ARG 107 4.804 11.428 11.032 854 HD2 ARG 107 2HD ARG 107 2.954 12.421 10.207 855 HD3 ARG 107 1HD ARG 107 2.453 10.948 9.381 856 HE ARG 107 HE ARG 107 0.882 10.790 11.065 857 HH11 ARG 107 1HH2 ARG 107 3.851 12.061 12.309 858 HH12 ARG 107 2HH2 ARG 107 3.296 12.123 13.949 859 HH21 ARG 107 1HH1 ARG 107 0.150 10.867 13.210 860 HH22 ARG 107 2HH1 ARG 107 1.200 11.448 14.458 861 H GLU 108 H GLU 108 7.359 11.272 8.358 862 HA GLU 108 HA GLU 108 7.440 13.497 10.135 863 HB2 GLU 108 2HB GLU 108 9.380 11.982 9.682 864 HB3 GLU 108 1HB GLU 108 9.513 12.703 8.077 865 HG2 GLU 108 2HG GLU 108 10.035 14.847 8.967 866 HG3 GLU 108 1HG GLU 108 9.537 14.375 10.592 867 H VAL 109 H VAL 109 7.856 13.210 6.650 868 HA VAL 109 HA VAL 109 8.026 15.921 5.975 869 HB VAL 109 HB VAL 109 7.041 15.003 3.745 870 HG11 VAL 109 1HG1 VAL 109 9.404 15.115 3.813 871 HG12 VAL 109 2HG1 VAL 109 9.115 13.382 3.587 872 HG13 VAL 109 3HG1 VAL 109 9.490 14.011 5.188 873 HG21 VAL 109 3HG2 VAL 109 7.011 12.564 5.481 874 HG22 VAL 109 1HG2 VAL 109 7.170 12.467 3.734 875 HG23 VAL 109 2HG2 VAL 109 5.747 13.215 4.457 876 H LEU 110 H LEU 110 5.329 13.721 6.362 877 HA LEU 110 HA LEU 110 3.226 15.506 5.777 878 HB2 LEU 110 2HB LEU 110 3.618 12.862 6.844 879 HB3 LEU 110 1HB LEU 110 2.346 13.661 7.700 880 HG LEU 110 HG LEU 110 1.233 14.178 5.553 881 HD11 LEU 110 1HD1 LEU 110 3.095 14.374 4.057 882 HD12 LEU 110 2HD1 LEU 110 2.157 12.989 3.509 883 HD13 LEU 110 3HD1 LEU 110 3.639 12.740 4.427 884 HD21 LEU 110 3HD2 LEU 110 0.551 11.921 5.018 885 HD22 LEU 110 1HD2 LEU 110 0.846 11.987 6.755 886 HD23 LEU 110 2HD2 LEU 110 2.042 11.266 5.684 887 H ARG 111 H ARG 111 5.264 15.005 8.568 888 HA ARG 111 HA ARG 111 3.738 16.288 10.545 889 HB2 ARG 111 2HB ARG 111 6.104 15.122 10.667 890 HB3 ARG 111 1HB ARG 111 6.698 16.757 10.375 891 HG2 ARG 111 2HG ARG 111 5.523 17.595 12.319 892 HG3 ARG 111 1HG ARG 111 4.733 16.038 12.564 893 HD2 ARG 111 2HD ARG 111 6.490 15.872 14.074 894 HD3 ARG 111 1HD ARG 111 7.208 15.134 12.645 895 HE ARG 111 HE ARG 111 7.695 17.940 12.667 896 HH11 ARG 111 1HH2 ARG 111 8.590 14.951 14.166 897 HH12 ARG 111 2HH2 ARG 111 10.189 15.475 14.574 898 HH21 ARG 111 1HH1 ARG 111 9.791 18.631 13.192 899 HH22 ARG 111 2HH1 ARG 111 10.869 17.560 14.021 900 H LEU 112 H LEU 112 5.736 17.456 7.914 901 HA LEU 112 HA LEU 112 5.725 20.218 8.570 902 HB2 LEU 112 2HB LEU 112 7.167 19.125 6.801 903 HB3 LEU 112 1HB LEU 112 5.727 19.010 5.789 904 HG LEU 112 HG LEU 112 5.441 21.471 5.949 905 HD11 LEU 112 1HD1 LEU 112 7.691 21.104 7.844 906 HD12 LEU 112 2HD1 LEU 112 6.423 22.331 7.825 907 HD13 LEU 112 3HD1 LEU 112 7.824 22.494 6.766 908 HD21 LEU 112 3HD2 LEU 112 7.247 22.045 4.442 909 HD22 LEU 112 1HD2 LEU 112 6.791 20.372 4.116 910 HD23 LEU 112 2HD2 LEU 112 8.242 20.723 5.055 911 H TYR 113 H TYR 113 3.469 18.009 7.153 912 HA TYR 113 HA TYR 113 1.464 20.188 6.875 913 HB2 TYR 113 2HB TYR 113 2.156 17.911 5.129 914 HB3 TYR 113 1HB TYR 113 0.429 18.108 5.427 915 HD1 TYR 113 1HD TYR 113 3.114 20.703 5.249 916 HD2 TYR 113 2HD TYR 113 -0.425 19.065 3.446 917 HE1 TYR 113 1HE TYR 113 3.052 22.595 3.648 918 HE2 TYR 113 2HE TYR 113 -0.486 20.958 1.845 919 HH TYR 113 HH TYR 113 1.968 23.546 1.970 920 HA PRO 114 HA PRO 114 0.322 17.490 10.468 921 HB2 PRO 114 2HB PRO 114 -1.089 19.965 11.262 922 HB3 PRO 114 1HB PRO 114 0.055 18.967 12.178 923 HG2 PRO 114 2HG PRO 114 0.730 21.362 11.206 924 HG3 PRO 114 1HG PRO 114 1.887 20.022 11.299 925 HD2 PRO 114 2HD PRO 114 0.431 21.092 8.906 926 HD3 PRO 114 1HD PRO 114 2.089 20.464 9.034 927 H GLU 115 H GLU 115 -1.939 19.724 8.772 928 HA GLU 115 HA GLU 115 -4.266 18.343 9.671 929 HB2 GLU 115 2HB GLU 115 -3.906 20.149 7.269 930 HB3 GLU 115 1HB GLU 115 -5.453 19.647 7.953 931 HG2 GLU 115 2HG GLU 115 -5.255 21.029 9.766 932 HG3 GLU 115 1HG GLU 115 -3.506 20.831 9.856 933 H TYR 116 H TYR 116 -2.607 18.348 6.521 934 HA TYR 116 HA TYR 116 -4.240 16.314 5.387 935 HB2 TYR 116 2HB TYR 116 -1.733 17.724 4.668 936 HB3 TYR 116 1HB TYR 116 -1.984 16.146 3.928 937 HD1 TYR 116 1HD TYR 116 -4.190 15.699 2.721 938 HD2 TYR 116 2HD TYR 116 -2.929 19.627 3.916 939 HE1 TYR 116 1HE TYR 116 -5.803 16.700 1.127 940 HE2 TYR 116 2HE TYR 116 -4.543 20.629 2.321 941 HH TYR 116 HH TYR 116 -7.018 18.844 0.847 942 H ALA 117 H ALA 117 -1.285 16.336 7.244 943 HA ALA 117 HA ALA 117 -0.426 13.713 6.769 944 HB1 ALA 117 1HB ALA 117 1.098 15.201 7.744 945 HB2 ALA 117 2HB ALA 117 0.724 14.044 9.027 946 HB3 ALA 117 3HB ALA 117 -0.021 15.641 9.032 947 H GLN 118 H GLN 118 -2.102 14.925 9.677 948 HA GLN 118 HA GLN 118 -2.500 12.457 10.883 949 HB2 GLN 118 2HB GLN 118 -4.280 14.908 10.894 950 HB3 GLN 118 1HB GLN 118 -4.450 13.550 11.992 951 HG2 GLN 118 2HG GLN 118 -2.094 15.421 11.768 952 HG3 GLN 118 1HG GLN 118 -3.184 15.227 13.138 953 HE21 GLN 118 1HE2 GLN 118 -0.560 13.634 11.333 954 HE22 GLN 118 2HE2 GLN 118 -0.173 12.524 12.556 955 H LYS 119 H LYS 119 -4.228 14.070 8.318 956 HA LYS 119 HA LYS 119 -6.404 12.214 8.188 957 HB2 LYS 119 2HB LYS 119 -5.710 14.700 6.998 958 HB3 LYS 119 1HB LYS 119 -6.004 13.552 5.692 959 HG2 LYS 119 2HG LYS 119 -8.199 13.069 6.465 960 HG3 LYS 119 1HG LYS 119 -7.897 13.820 8.031 961 HD2 LYS 119 2HD LYS 119 -7.549 16.010 6.776 962 HD3 LYS 119 1HD LYS 119 -8.196 15.194 5.353 963 HE2 LYS 119 2HE LYS 119 -9.605 15.631 8.001 964 HE3 LYS 119 1HE LYS 119 -10.026 16.341 6.443 965 HZ1 LYS 119 3HZ LYS 119 -11.196 14.549 5.928 966 HZ2 LYS 119 1HZ LYS 119 -10.937 13.955 7.495 967 HZ3 LYS 119 2HZ LYS 119 -9.878 13.523 6.238 968 H PHE 120 H PHE 120 -3.158 12.294 6.843 969 HA PHE 120 HA PHE 120 -3.506 10.777 4.554 970 HB2 PHE 120 2HB PHE 120 -1.327 11.063 4.448 971 HB3 PHE 120 1HB PHE 120 -1.361 11.748 6.063 972 HD1 PHE 120 1HD PHE 120 -0.998 8.539 4.172 973 HD2 PHE 120 2HD PHE 120 -0.391 10.602 7.895 974 HE1 PHE 120 1HE PHE 120 0.407 6.681 4.974 975 HE2 PHE 120 2HE PHE 120 0.998 8.720 8.706 976 HZ PHE 120 HZ PHE 120 1.401 6.759 7.249 977 H VAL 121 H VAL 121 -3.135 9.562 7.881 978 HA VAL 121 HA VAL 121 -2.990 6.835 7.111 979 HB VAL 121 HB VAL 121 -3.667 6.385 9.484 980 HG11 VAL 121 1HG1 VAL 121 -1.334 7.402 8.487 981 HG12 VAL 121 2HG1 VAL 121 -1.535 6.819 10.137 982 HG13 VAL 121 3HG1 VAL 121 -1.682 8.542 9.784 983 HG21 VAL 121 3HG2 VAL 121 -3.513 8.862 10.691 984 HG22 VAL 121 1HG2 VAL 121 -5.012 7.985 10.380 985 HG23 VAL 121 2HG2 VAL 121 -4.456 9.212 9.242 986 H SER 122 H SER 122 -5.620 9.053 7.701 987 HA SER 122 HA SER 122 -7.663 6.988 7.570 988 HB2 SER 122 2HB SER 122 -7.787 9.077 9.023 989 HB3 SER 122 1HB SER 122 -8.094 9.972 7.537 990 HG SER 122 HG SER 122 -10.076 9.330 7.737 991 H GLU 123 H GLU 123 -6.154 9.295 5.430 992 HA GLU 123 HA GLU 123 -8.235 9.147 3.422 993 HB2 GLU 123 2HB GLU 123 -5.713 10.614 3.809 994 HB3 GLU 123 1HB GLU 123 -6.079 10.202 2.132 995 HG2 GLU 123 2HG GLU 123 -7.026 12.422 2.970 996 HG3 GLU 123 1HG GLU 123 -8.179 11.326 2.209 997 H ILE 124 H ILE 124 -5.245 7.475 4.108 998 HA ILE 124 HA ILE 124 -4.598 6.463 1.598 999 HB ILE 124 HB ILE 124 -3.539 6.221 4.061 1000 HG12 ILE 124 2HG1 ILE 124 -3.166 4.773 1.474 1001 HG13 ILE 124 1HG1 ILE 124 -2.082 5.883 2.309 1002 HG21 ILE 124 1HG2 ILE 124 -3.670 3.928 4.827 1003 HG22 ILE 124 2HG2 ILE 124 -4.666 3.472 3.450 1004 HG23 ILE 124 3HG2 ILE 124 -5.311 4.549 4.691 1005 HD11 ILE 124 3HD1 ILE 124 -2.488 2.947 2.744 1006 HD12 ILE 124 1HD1 ILE 124 -2.020 3.946 4.118 1007 HD13 ILE 124 2HD1 ILE 124 -0.988 3.871 2.692 1008 H GLN 125 H GLN 125 -6.886 5.194 4.003 1009 HA GLN 125 HA GLN 125 -7.465 2.729 2.968 1010 HB2 GLN 125 2HB GLN 125 -9.931 3.357 3.734 1011 HB3 GLN 125 1HB GLN 125 -8.633 3.083 4.897 1012 HG2 GLN 125 2HG GLN 125 -9.841 5.156 5.407 1013 HG3 GLN 125 1HG GLN 125 -8.161 5.451 4.970 1014 HE21 GLN 125 1HE2 GLN 125 -11.262 5.062 3.153 1015 HE22 GLN 125 2HE2 GLN 125 -11.006 6.408 2.151 1016 H HIS 126 H HIS 126 -8.413 5.840 1.690 1017 HA HIS 126 HA HIS 126 -10.479 5.062 -0.020 1018 HB2 HIS 126 2HB HIS 126 -10.113 7.377 0.245 1019 HB3 HIS 126 1HB HIS 126 -8.423 7.228 -0.211 1020 HD1 HIS 126 1HD HIS 126 -7.965 6.558 -2.785 1021 HD2 HIS 126 2HD HIS 126 -11.840 7.814 -1.897 1022 HE1 HIS 126 1HE HIS 126 -9.061 7.121 -4.998 1023 HE2 HIS 126 2HE HIS 126 -11.425 7.886 -4.473 1024 H ASP 127 H ASP 127 -7.117 4.374 -0.134 1025 HA ASP 127 HA ASP 127 -7.431 3.285 -2.872 1026 HB2 ASP 127 2HB ASP 127 -5.193 4.776 -1.586 1027 HB3 ASP 127 1HB ASP 127 -4.791 3.516 -2.750 1028 H LEU 128 H LEU 128 -7.810 2.164 -0.060 1029 HA LEU 128 HA LEU 128 -5.730 0.279 0.409 1030 HB2 LEU 128 2HB LEU 128 -6.975 0.642 2.312 1031 HB3 LEU 128 1HB LEU 128 -8.497 0.734 1.428 1032 HG LEU 128 HG LEU 128 -8.505 -1.680 1.096 1033 HD11 LEU 128 1HD1 LEU 128 -5.703 -1.377 2.042 1034 HD12 LEU 128 2HD1 LEU 128 -6.379 -2.511 0.873 1035 HD13 LEU 128 3HD1 LEU 128 -6.561 -2.813 2.598 1036 HD21 LEU 128 3HD2 LEU 128 -9.461 -0.905 3.193 1037 HD22 LEU 128 1HD2 LEU 128 -7.866 -0.857 3.945 1038 HD23 LEU 128 2HD2 LEU 128 -8.583 -2.405 3.497 1039 H THR 129 H THR 129 -5.231 -1.373 -0.887 1040 HA THR 129 HA THR 129 -7.380 -2.672 -2.441 1041 HB THR 129 HB THR 129 -4.383 -2.609 -2.818 1042 HG1 THR 129 1HG THR 129 -5.430 -0.840 -3.659 1043 HG21 THR 129 3HG2 THR 129 -6.410 -4.542 -3.720 1044 HG22 THR 129 1HG2 THR 129 -4.655 -4.697 -3.656 1045 HG23 THR 129 2HG2 THR 129 -5.418 -3.876 -5.017 1046 H TYR 130 H TYR 130 -4.360 -3.547 -0.724 1047 HA TYR 130 HA TYR 130 -5.768 -5.917 0.334 1048 HB2 TYR 130 2HB TYR 130 -4.207 -6.455 -1.626 1049 HB3 TYR 130 1HB TYR 130 -2.880 -6.023 -0.541 1050 HD1 TYR 130 2HD TYR 130 -5.849 -8.255 -0.895 1051 HD2 TYR 130 1HD TYR 130 -2.140 -7.528 1.151 1052 HE1 TYR 130 2HE TYR 130 -6.004 -10.485 0.180 1053 HE2 TYR 130 1HE TYR 130 -2.299 -9.757 2.227 1054 HH TYR 130 HH TYR 130 -5.168 -11.778 1.854 1055 H ASN 131 H ASN 131 -5.248 -6.484 2.416 1056 HA ASN 131 HA ASN 131 -3.570 -4.540 3.871 1057 HB2 ASN 131 2HB ASN 131 -5.685 -6.410 4.956 1058 HB3 ASN 131 1HB ASN 131 -4.843 -5.144 5.848 1059 HD21 ASN 131 1HD2 ASN 131 -5.395 -2.895 5.347 1060 HD22 ASN 131 2HD2 ASN 131 -6.814 -2.514 4.497 1061 H LEU 132 H LEU 132 -1.549 -5.306 4.120 1062 HA LEU 132 HA LEU 132 -1.065 -8.157 4.470 1063 HB2 LEU 132 2HB LEU 132 0.397 -6.078 3.369 1064 HB3 LEU 132 1HB LEU 132 1.174 -6.304 4.932 1065 HG LEU 132 HG LEU 132 2.169 -7.675 3.069 1066 HD11 LEU 132 1HD1 LEU 132 1.287 -8.573 5.700 1067 HD12 LEU 132 2HD1 LEU 132 2.848 -8.782 4.902 1068 HD13 LEU 132 3HD1 LEU 132 1.533 -9.916 4.581 1069 HD21 LEU 132 3HD2 LEU 132 -0.423 -8.187 2.366 1070 HD22 LEU 132 1HD2 LEU 132 -0.018 -9.658 3.254 1071 HD23 LEU 132 2HD2 LEU 132 0.949 -9.173 1.861 1072 H ARG 133 H ARG 133 -1.348 -9.028 6.427 1073 HA ARG 133 HA ARG 133 -0.956 -7.333 8.803 1074 HB2 ARG 133 2HB ARG 133 -2.308 -10.034 8.595 1075 HB3 ARG 133 1HB ARG 133 -2.305 -8.962 9.996 1076 HG2 ARG 133 2HG ARG 133 -3.360 -7.201 8.456 1077 HG3 ARG 133 1HG ARG 133 -3.634 -8.521 7.319 1078 HD2 ARG 133 2HD ARG 133 -5.584 -8.064 8.838 1079 HD3 ARG 133 1HD ARG 133 -4.980 -9.716 8.912 1080 HE ARG 133 HE ARG 133 -4.022 -7.763 10.897 1081 HH11 ARG 133 1HH2 ARG 133 -5.860 -10.578 10.048 1082 HH12 ARG 133 2HH2 ARG 133 -6.040 -11.115 11.684 1083 HH21 ARG 133 1HH1 ARG 133 -4.262 -8.468 13.037 1084 HH22 ARG 133 2HH1 ARG 133 -5.138 -9.923 13.374 1085 H GLU 134 H GLU 134 0.228 -8.118 10.601 1086 HA GLU 134 HA GLU 134 2.445 -9.872 9.841 1087 HB2 GLU 134 2HB GLU 134 3.670 -8.864 11.521 1088 HB3 GLU 134 1HB GLU 134 2.570 -7.553 11.100 1089 HG2 GLU 134 2HG GLU 134 1.009 -8.617 12.906 1090 HG3 GLU 134 1HG GLU 134 2.484 -9.395 13.476 1091 H GLY 135 H GLY 135 2.964 -11.767 10.911 1092 HA2 GLY 135 2HA GLY 135 2.664 -13.642 12.224 1093 HA3 GLY 135 1HA GLY 135 1.587 -12.690 13.242 Start of MODEL 19 1 H1 MET 1 H MET 1 -8.026 11.027 -18.983 2 HA MET 1 HA MET 1 -8.966 8.280 -18.415 3 HB2 MET 1 2HB MET 1 -8.449 7.700 -20.782 4 HB3 MET 1 1HB MET 1 -9.769 8.861 -20.634 5 HG2 MET 1 2HG MET 1 -8.555 10.020 -22.186 6 HG3 MET 1 1HG MET 1 -7.662 10.561 -20.764 7 HE1 MET 1 3HE MET 1 -5.737 9.226 -24.268 8 HE2 MET 1 1HE MET 1 -6.990 10.386 -23.805 9 HE3 MET 1 2HE MET 1 -7.420 8.719 -24.176 10 H ASN 2 H ASN 2 -6.634 10.196 -17.650 11 HA ASN 2 HA ASN 2 -4.498 8.211 -18.144 12 HB2 ASN 2 2HB ASN 2 -2.885 10.081 -18.171 13 HB3 ASN 2 1HB ASN 2 -4.064 10.217 -19.475 14 HD21 ASN 2 1HD2 ASN 2 -2.774 11.807 -16.678 15 HD22 ASN 2 2HD2 ASN 2 -3.848 13.121 -16.674 16 H LYS 3 H LYS 3 -4.802 7.192 -16.157 17 HA LYS 3 HA LYS 3 -5.323 8.005 -13.683 18 HB2 LYS 3 2HB LYS 3 -2.940 6.300 -14.439 19 HB3 LYS 3 1HB LYS 3 -3.611 6.421 -12.812 20 HG2 LYS 3 2HG LYS 3 -5.605 5.845 -14.908 21 HG3 LYS 3 1HG LYS 3 -4.406 4.573 -14.671 22 HD2 LYS 3 2HD LYS 3 -5.649 5.798 -12.243 23 HD3 LYS 3 1HD LYS 3 -6.613 4.664 -13.188 24 HE2 LYS 3 2HE LYS 3 -3.894 4.146 -11.957 25 HE3 LYS 3 1HE LYS 3 -5.426 3.408 -11.490 26 HZ1 LYS 3 3HZ LYS 3 -3.637 2.618 -13.517 27 HZ2 LYS 3 1HZ LYS 3 -5.127 3.015 -14.222 28 HZ3 LYS 3 2HZ LYS 3 -5.056 1.846 -12.992 29 H GLU 4 H GLU 4 -4.871 9.911 -12.773 30 HA GLU 4 HA GLU 4 -2.355 11.265 -13.208 31 HB2 GLU 4 2HB GLU 4 -4.684 11.909 -11.381 32 HB3 GLU 4 1HB GLU 4 -3.309 12.972 -11.681 33 HG2 GLU 4 2HG GLU 4 -4.098 13.607 -13.709 34 HG3 GLU 4 1HG GLU 4 -4.570 11.963 -14.135 35 H LEU 5 H LEU 5 -1.120 12.113 -11.275 36 HA LEU 5 HA LEU 5 -0.020 10.007 -9.820 37 HB2 LEU 5 2HB LEU 5 0.449 12.782 -10.101 38 HB3 LEU 5 1HB LEU 5 0.290 12.479 -8.373 39 HG LEU 5 HG LEU 5 2.590 12.152 -8.863 40 HD11 LEU 5 1HD1 LEU 5 1.084 10.131 -7.823 41 HD12 LEU 5 2HD1 LEU 5 2.844 10.138 -7.862 42 HD13 LEU 5 3HD1 LEU 5 1.936 9.295 -9.118 43 HD21 LEU 5 3HD2 LEU 5 1.525 10.770 -11.306 44 HD22 LEU 5 1HD2 LEU 5 3.132 10.355 -10.707 45 HD23 LEU 5 2HD2 LEU 5 2.770 12.013 -11.187 46 H LEU 6 H LEU 6 -2.905 11.807 -9.238 47 HA LEU 6 HA LEU 6 -3.088 11.715 -6.476 48 HB2 LEU 6 2HB LEU 6 -5.288 12.210 -6.646 49 HB3 LEU 6 1HB LEU 6 -4.759 12.665 -8.273 50 HG LEU 6 HG LEU 6 -6.190 10.135 -7.424 51 HD11 LEU 6 1HD1 LEU 6 -6.866 12.606 -8.844 52 HD12 LEU 6 2HD1 LEU 6 -7.927 11.418 -8.088 53 HD13 LEU 6 3HD1 LEU 6 -7.330 11.152 -9.726 54 HD21 LEU 6 3HD2 LEU 6 -4.329 10.596 -9.675 55 HD22 LEU 6 1HD2 LEU 6 -5.880 9.899 -10.131 56 HD23 LEU 6 2HD2 LEU 6 -4.858 9.081 -8.950 57 H GLN 7 H GLN 7 -2.153 9.104 -7.955 58 HA GLN 7 HA GLN 7 -3.984 7.080 -7.205 59 HB2 GLN 7 2HB GLN 7 -2.067 5.569 -7.307 60 HB3 GLN 7 1HB GLN 7 -1.936 6.719 -8.640 61 HG2 GLN 7 2HG GLN 7 -0.618 8.095 -6.704 62 HG3 GLN 7 1HG GLN 7 -0.253 6.441 -6.211 63 HE21 GLN 7 1HE2 GLN 7 2.038 7.021 -6.888 64 HE22 GLN 7 2HE2 GLN 7 2.447 6.899 -8.530 65 H LEU 8 H LEU 8 -1.594 9.025 -5.648 66 HA LEU 8 HA LEU 8 -2.441 7.987 -3.013 67 HB2 LEU 8 2HB LEU 8 0.204 8.288 -4.123 68 HB3 LEU 8 1HB LEU 8 0.014 9.378 -2.754 69 HG LEU 8 HG LEU 8 -0.769 7.499 -1.362 70 HD11 LEU 8 1HD1 LEU 8 0.069 5.378 -3.179 71 HD12 LEU 8 2HD1 LEU 8 -1.285 6.300 -3.835 72 HD13 LEU 8 3HD1 LEU 8 -1.424 5.530 -2.254 73 HD21 LEU 8 3HD2 LEU 8 1.406 6.138 -1.464 74 HD22 LEU 8 1HD2 LEU 8 1.587 7.879 -1.244 75 HD23 LEU 8 2HD2 LEU 8 1.855 7.158 -2.831 76 HA PRO 9 HA PRO 9 -4.291 12.159 -3.806 77 HB2 PRO 9 2HB PRO 9 -5.429 11.304 -1.175 78 HB3 PRO 9 1HB PRO 9 -6.220 12.086 -2.552 79 HG2 PRO 9 2HG PRO 9 -6.507 9.481 -2.090 80 HG3 PRO 9 1HG PRO 9 -6.409 10.126 -3.737 81 HD2 PRO 9 2HD PRO 9 -4.388 8.569 -2.213 82 HD3 PRO 9 1HD PRO 9 -4.618 8.706 -3.970 83 H LEU 10 H LEU 10 -2.404 10.918 -1.232 84 HA LEU 10 HA LEU 10 -2.304 13.139 0.465 85 HB2 LEU 10 2HB LEU 10 0.045 12.272 1.027 86 HB3 LEU 10 1HB LEU 10 -1.390 11.346 1.499 87 HG LEU 10 HG LEU 10 -0.852 10.441 -1.070 88 HD11 LEU 10 1HD1 LEU 10 1.327 11.806 -0.715 89 HD12 LEU 10 2HD1 LEU 10 1.470 10.142 -1.311 90 HD13 LEU 10 3HD1 LEU 10 1.781 10.498 0.389 91 HD21 LEU 10 3HD2 LEU 10 -1.505 8.905 0.568 92 HD22 LEU 10 1HD2 LEU 10 -0.296 9.473 1.718 93 HD23 LEU 10 2HD2 LEU 10 0.197 8.490 0.337 94 H PHE 11 H PHE 11 -0.094 12.292 -2.208 95 HA PHE 11 HA PHE 11 1.156 14.865 -1.716 96 HB2 PHE 11 2HB PHE 11 2.846 14.165 -3.378 97 HB3 PHE 11 1HB PHE 11 2.833 13.288 -1.870 98 HD1 PHE 11 1HD PHE 11 0.076 12.396 -3.928 99 HD2 PHE 11 2HD PHE 11 4.231 11.638 -3.322 100 HE1 PHE 11 1HE PHE 11 -0.146 10.284 -5.196 101 HE2 PHE 11 2HE PHE 11 4.034 9.520 -4.587 102 HZ PHE 11 HZ PHE 11 1.844 8.839 -5.526 103 H GLU 12 H GLU 12 -1.059 13.529 -3.989 104 HA GLU 12 HA GLU 12 -0.402 15.352 -6.116 105 HB2 GLU 12 2HB GLU 12 -1.532 13.237 -6.609 106 HB3 GLU 12 1HB GLU 12 -2.915 13.739 -5.635 107 HG2 GLU 12 2HG GLU 12 -3.118 14.098 -8.160 108 HG3 GLU 12 1HG GLU 12 -3.482 15.473 -7.124 109 H SER 13 H SER 13 -2.205 15.508 -3.201 110 HA SER 13 HA SER 13 -3.535 17.996 -4.068 111 HB2 SER 13 2HB SER 13 -4.083 16.418 -1.553 112 HB3 SER 13 1HB SER 13 -5.078 17.680 -2.273 113 HG SER 13 HG SER 13 -5.000 16.133 -4.185 114 H ALA 14 H ALA 14 -0.669 17.272 -2.917 115 HA ALA 14 HA ALA 14 -0.655 19.303 -0.778 116 HB1 ALA 14 1HB ALA 14 0.381 16.788 -0.703 117 HB2 ALA 14 2HB ALA 14 1.027 18.139 0.230 118 HB3 ALA 14 3HB ALA 14 1.771 17.693 -1.311 119 H SER 15 H SER 15 1.123 20.833 -0.801 120 HA SER 15 HA SER 15 1.573 21.991 -3.336 121 HB2 SER 15 2HB SER 15 1.798 23.227 -1.173 122 HB3 SER 15 1HB SER 15 3.251 22.295 -0.824 123 HG SER 15 HG SER 15 2.791 24.289 -2.735 124 H ARG 16 H ARG 16 3.297 21.733 -4.781 125 HA ARG 16 HA ARG 16 4.473 19.273 -5.027 126 HB2 ARG 16 2HB ARG 16 5.155 21.985 -6.026 127 HB3 ARG 16 1HB ARG 16 6.452 20.790 -6.084 128 HG2 ARG 16 2HG ARG 16 5.296 20.570 -8.153 129 HG3 ARG 16 1HG ARG 16 4.753 19.214 -7.175 130 HD2 ARG 16 2HD ARG 16 2.727 20.434 -6.551 131 HD3 ARG 16 1HD ARG 16 3.279 21.849 -7.443 132 HE ARG 16 HE ARG 16 2.138 19.426 -8.568 133 HH11 ARG 16 1HH2 ARG 16 4.038 22.274 -9.057 134 HH12 ARG 16 2HH2 ARG 16 3.767 22.331 -10.767 135 HH21 ARG 16 1HH1 ARG 16 1.779 19.489 -10.810 136 HH22 ARG 16 2HH1 ARG 16 2.487 20.753 -11.760 137 H GLY 17 H GLY 17 5.103 21.743 -2.783 138 HA2 GLY 17 2HA GLY 17 7.760 21.205 -2.034 139 HA3 GLY 17 1HA GLY 17 6.524 21.906 -0.991 140 H CYS 18 H CYS 18 4.650 19.761 -0.997 141 HA CYS 18 HA CYS 18 5.871 18.067 0.977 142 HB2 CYS 18 2HB CYS 18 3.219 18.665 0.101 143 HB3 CYS 18 1HB CYS 18 3.438 16.916 -0.032 144 HG CYS 18 HG CYS 18 4.119 16.874 2.507 145 H LEU 19 H LEU 19 5.158 17.789 -2.466 146 HA LEU 19 HA LEU 19 5.689 14.984 -2.555 147 HB2 LEU 19 2HB LEU 19 4.422 16.155 -4.342 148 HB3 LEU 19 1HB LEU 19 5.906 16.988 -4.813 149 HG LEU 19 HG LEU 19 6.921 14.594 -4.988 150 HD11 LEU 19 1HD1 LEU 19 4.767 13.644 -3.880 151 HD12 LEU 19 2HD1 LEU 19 5.425 12.785 -5.272 152 HD13 LEU 19 3HD1 LEU 19 4.035 13.851 -5.471 153 HD21 LEU 19 3HD2 LEU 19 6.484 14.606 -7.281 154 HD22 LEU 19 1HD2 LEU 19 6.099 16.273 -6.857 155 HD23 LEU 19 2HD2 LEU 19 4.804 15.094 -7.061 156 H ARG 20 H ARG 20 7.620 17.886 -2.722 157 HA ARG 20 HA ARG 20 10.062 16.602 -3.531 158 HB2 ARG 20 2HB ARG 20 10.840 18.733 -3.585 159 HB3 ARG 20 1HB ARG 20 9.200 19.233 -3.184 160 HG2 ARG 20 2HG ARG 20 10.613 20.247 -1.568 161 HG3 ARG 20 1HG ARG 20 9.806 18.935 -0.759 162 HD2 ARG 20 2HD ARG 20 11.819 18.118 -0.180 163 HD3 ARG 20 1HD ARG 20 12.124 17.808 -1.885 164 HE ARG 20 HE ARG 20 13.564 19.622 -1.887 165 HH11 ARG 20 1HH2 ARG 20 11.413 19.766 0.819 166 HH12 ARG 20 2HH2 ARG 20 12.181 21.144 1.534 167 HH21 ARG 20 1HH1 ARG 20 14.579 21.429 -0.955 168 HH22 ARG 20 2HH1 ARG 20 13.974 22.085 0.529 169 H SER 21 H SER 21 8.396 17.386 -0.587 170 HA SER 21 HA SER 21 10.317 16.709 1.376 171 HB2 SER 21 2HB SER 21 7.350 16.326 1.592 172 HB3 SER 21 1HB SER 21 8.489 16.803 2.852 173 HG SER 21 HG SER 21 8.800 18.746 1.708 174 H LEU 22 H LEU 22 7.728 14.869 -0.138 175 HA LEU 22 HA LEU 22 8.333 12.381 1.059 176 HB2 LEU 22 2HB LEU 22 6.665 13.335 -1.128 177 HB3 LEU 22 1HB LEU 22 7.409 11.775 -1.489 178 HG LEU 22 HG LEU 22 6.594 10.874 0.641 179 HD11 LEU 22 1HD1 LEU 22 5.586 12.117 2.242 180 HD12 LEU 22 2HD1 LEU 22 4.782 13.173 1.087 181 HD13 LEU 22 3HD1 LEU 22 6.475 13.444 1.501 182 HD21 LEU 22 3HD2 LEU 22 5.126 10.483 -1.165 183 HD22 LEU 22 1HD2 LEU 22 4.616 12.175 -1.217 184 HD23 LEU 22 2HD2 LEU 22 4.098 11.142 0.113 185 H SER 23 H SER 23 9.230 13.710 -2.119 186 HA SER 23 HA SER 23 10.848 11.630 -2.944 187 HB2 SER 23 2HB SER 23 10.450 12.961 -4.675 188 HB3 SER 23 1HB SER 23 10.548 14.444 -3.710 189 HG SER 23 HG SER 23 12.673 12.804 -4.649 190 H LEU 24 H LEU 24 11.547 14.172 -0.692 191 HA LEU 24 HA LEU 24 14.351 13.952 -0.691 192 HB2 LEU 24 2HB LEU 24 12.322 15.132 0.990 193 HB3 LEU 24 1HB LEU 24 13.564 14.347 1.967 194 HG LEU 24 HG LEU 24 14.074 16.733 1.371 195 HD11 LEU 24 1HD1 LEU 24 15.734 14.544 1.520 196 HD12 LEU 24 2HD1 LEU 24 16.280 16.220 1.477 197 HD13 LEU 24 3HD1 LEU 24 16.214 15.276 -0.011 198 HD21 LEU 24 3HD2 LEU 24 15.014 16.107 -1.304 199 HD22 LEU 24 1HD2 LEU 24 14.000 17.445 -0.767 200 HD23 LEU 24 2HD2 LEU 24 13.269 15.891 -1.174 201 H ILE 25 H ILE 25 11.767 12.009 0.688 202 HA ILE 25 HA ILE 25 13.812 10.043 1.548 203 HB ILE 25 HB ILE 25 12.467 11.236 3.406 204 HG12 ILE 25 2HG1 ILE 25 11.978 8.516 4.049 205 HG13 ILE 25 1HG1 ILE 25 13.367 8.522 3.005 206 HG21 ILE 25 1HG2 ILE 25 10.477 9.109 2.983 207 HG22 ILE 25 2HG2 ILE 25 10.331 10.483 1.873 208 HG23 ILE 25 3HG2 ILE 25 10.236 10.735 3.623 209 HD11 ILE 25 3HD1 ILE 25 14.328 8.827 5.129 210 HD12 ILE 25 1HD1 ILE 25 12.995 9.852 5.675 211 HD13 ILE 25 2HD1 ILE 25 14.193 10.484 4.536 212 H ILE 26 H ILE 26 12.122 10.244 -1.012 213 HA ILE 26 HA ILE 26 10.161 8.259 -0.950 214 HB ILE 26 HB ILE 26 11.674 9.763 -2.986 215 HG12 ILE 26 2HG1 ILE 26 9.378 10.350 -2.045 216 HG13 ILE 26 1HG1 ILE 26 9.482 10.269 -3.805 217 HG21 ILE 26 1HG2 ILE 26 10.475 7.111 -3.475 218 HG22 ILE 26 2HG2 ILE 26 12.042 7.694 -4.005 219 HG23 ILE 26 3HG2 ILE 26 10.562 8.297 -4.763 220 HD11 ILE 26 3HD1 ILE 26 7.711 8.869 -2.183 221 HD12 ILE 26 1HD1 ILE 26 8.908 7.684 -2.700 222 HD13 ILE 26 2HD1 ILE 26 8.017 8.619 -3.902 223 H LYS 27 H LYS 27 10.192 6.093 -1.286 224 HA LYS 27 HA LYS 27 12.853 4.853 -1.721 225 HB2 LYS 27 2HB LYS 27 10.594 3.630 -0.122 226 HB3 LYS 27 1HB LYS 27 12.241 3.026 -0.285 227 HG2 LYS 27 2HG LYS 27 12.222 5.786 0.633 228 HG3 LYS 27 1HG LYS 27 11.294 4.746 1.713 229 HD2 LYS 27 2HD LYS 27 13.211 3.178 1.830 230 HD3 LYS 27 1HD LYS 27 14.144 4.260 0.796 231 HE2 LYS 27 2HE LYS 27 12.937 5.100 3.445 232 HE3 LYS 27 1HE LYS 27 14.600 4.544 3.262 233 HZ1 LYS 27 3HZ LYS 27 14.693 6.863 3.110 234 HZ2 LYS 27 1HZ LYS 27 13.337 6.951 2.096 235 HZ3 LYS 27 2HZ LYS 27 14.800 6.325 1.502 236 H THR 28 H THR 28 12.944 3.167 -3.204 237 HA THR 28 HA THR 28 10.425 2.647 -4.665 238 HB THR 28 HB THR 28 11.391 3.217 -6.606 239 HG1 THR 28 1HG THR 28 13.657 2.467 -6.970 240 HG21 THR 28 3HG2 THR 28 13.688 4.090 -4.833 241 HG22 THR 28 1HG2 THR 28 12.235 5.033 -5.160 242 HG23 THR 28 2HG2 THR 28 13.365 4.674 -6.465 243 H SER 29 H SER 29 9.808 0.615 -4.790 244 HA SER 29 HA SER 29 11.809 -1.523 -4.367 245 HB2 SER 29 2HB SER 29 9.696 -2.828 -3.574 246 HB3 SER 29 1HB SER 29 10.446 -1.683 -2.464 247 HG SER 29 HG SER 29 8.894 -0.135 -3.534 248 H PHE 30 H PHE 30 11.802 -3.199 -5.835 249 HA PHE 30 HA PHE 30 9.704 -3.140 -7.921 250 HB2 PHE 30 2HB PHE 30 11.335 -3.387 -9.656 251 HB3 PHE 30 1HB PHE 30 11.841 -2.023 -8.660 252 HD1 PHE 30 2HD PHE 30 12.359 -5.686 -9.168 253 HD2 PHE 30 1HD PHE 30 13.939 -2.024 -7.579 254 HE1 PHE 30 2HE PHE 30 14.516 -6.820 -8.704 255 HE2 PHE 30 1HE PHE 30 16.097 -3.156 -7.113 256 HZ PHE 30 HZ PHE 30 16.385 -5.554 -7.677 257 H CYS 31 H CYS 31 9.400 -5.112 -9.082 258 HA CYS 31 HA CYS 31 10.657 -7.520 -7.978 259 HB2 CYS 31 2HB CYS 31 7.667 -7.432 -8.232 260 HB3 CYS 31 1HB CYS 31 8.674 -8.579 -7.340 261 HG CYS 31 HG CYS 31 7.557 -6.733 -5.723 262 H ALA 32 H ALA 32 10.462 -9.360 -9.336 263 HA ALA 32 HA ALA 32 9.678 -8.705 -12.107 264 HB1 ALA 32 1HB ALA 32 12.120 -9.736 -10.988 265 HB2 ALA 32 2HB ALA 32 11.781 -9.254 -12.650 266 HB3 ALA 32 3HB ALA 32 11.441 -10.902 -12.123 267 HA PRO 33 HA PRO 33 6.957 -12.162 -12.414 268 HB2 PRO 33 2HB PRO 33 8.651 -13.509 -14.444 269 HB3 PRO 33 1HB PRO 33 6.976 -12.944 -14.572 270 HG2 PRO 33 2HG PRO 33 9.013 -11.694 -15.787 271 HG3 PRO 33 1HG PRO 33 7.591 -10.832 -15.175 272 HD2 PRO 33 2HD PRO 33 10.354 -10.950 -14.043 273 HD3 PRO 33 1HD PRO 33 9.157 -9.638 -13.981 274 H GLY 34 H GLY 34 6.805 -13.760 -10.928 275 HA2 GLY 34 2HA GLY 34 7.297 -15.658 -9.711 276 HA3 GLY 34 1HA GLY 34 8.587 -15.992 -10.865 277 H GLU 35 H GLU 35 8.974 -12.872 -9.801 278 HA GLU 35 HA GLU 35 11.290 -13.562 -8.255 279 HB2 GLU 35 2HB GLU 35 10.751 -11.479 -9.805 280 HB3 GLU 35 1HB GLU 35 10.266 -10.804 -8.260 281 HG2 GLU 35 2HG GLU 35 12.880 -12.235 -8.382 282 HG3 GLU 35 1HG GLU 35 12.754 -10.648 -9.104 283 H PHE 36 H PHE 36 11.495 -13.773 -6.132 284 HA PHE 36 HA PHE 36 9.153 -13.461 -4.448 285 HB2 PHE 36 2HB PHE 36 11.827 -14.172 -3.335 286 HB3 PHE 36 1HB PHE 36 10.233 -14.810 -2.928 287 HD1 PHE 36 2HD PHE 36 12.975 -14.900 -5.421 288 HD2 PHE 36 1HD PHE 36 9.274 -16.659 -4.134 289 HE1 PHE 36 2HE PHE 36 13.343 -16.804 -6.966 290 HE2 PHE 36 1HE PHE 36 9.642 -18.564 -5.681 291 HZ PHE 36 HZ PHE 36 11.678 -18.636 -7.096 292 H LEU 37 H LEU 37 8.673 -11.597 -3.469 293 HA LEU 37 HA LEU 37 10.765 -9.592 -3.098 294 HB2 LEU 37 2HB LEU 37 8.298 -9.201 -3.968 295 HB3 LEU 37 1HB LEU 37 7.957 -9.126 -2.240 296 HG LEU 37 HG LEU 37 9.764 -7.428 -1.988 297 HD11 LEU 37 1HD1 LEU 37 11.256 -7.564 -3.733 298 HD12 LEU 37 2HD1 LEU 37 10.197 -6.325 -4.401 299 HD13 LEU 37 3HD1 LEU 37 10.010 -8.007 -4.901 300 HD21 LEU 37 3HD2 LEU 37 7.862 -6.191 -2.088 301 HD22 LEU 37 1HD2 LEU 37 7.239 -7.101 -3.464 302 HD23 LEU 37 2HD2 LEU 37 8.386 -5.787 -3.723 303 H ILE 38 H ILE 38 8.422 -11.471 -1.093 304 HA ILE 38 HA ILE 38 10.189 -10.808 1.139 305 HB ILE 38 HB ILE 38 8.524 -10.290 2.628 306 HG12 ILE 38 2HG1 ILE 38 6.037 -10.588 1.844 307 HG13 ILE 38 1HG1 ILE 38 6.746 -11.846 0.836 308 HG21 ILE 38 1HG2 ILE 38 8.752 -8.472 1.113 309 HG22 ILE 38 2HG2 ILE 38 7.047 -8.632 1.540 310 HG23 ILE 38 3HG2 ILE 38 7.627 -9.209 -0.026 311 HD11 ILE 38 3HD1 ILE 38 7.423 -11.678 3.750 312 HD12 ILE 38 1HD1 ILE 38 7.511 -13.045 2.651 313 HD13 ILE 38 2HD1 ILE 38 5.950 -12.462 3.206 314 H ARG 39 H ARG 39 10.209 -12.237 2.868 315 HA ARG 39 HA ARG 39 9.259 -14.961 2.232 316 HB2 ARG 39 2HB ARG 39 11.639 -15.211 3.732 317 HB3 ARG 39 1HB ARG 39 11.378 -15.652 2.052 318 HG2 ARG 39 2HG ARG 39 13.283 -14.078 2.334 319 HG3 ARG 39 1HG ARG 39 12.001 -13.434 1.308 320 HD2 ARG 39 2HD ARG 39 11.813 -11.672 2.685 321 HD3 ARG 39 1HD ARG 39 11.328 -12.774 3.971 322 HE ARG 39 HE ARG 39 13.506 -12.671 4.834 323 HH11 ARG 39 1HH2 ARG 39 13.245 -11.149 1.737 324 HH12 ARG 39 2HH2 ARG 39 14.806 -10.404 1.817 325 HH21 ARG 39 1HH1 ARG 39 15.556 -11.696 4.946 326 HH22 ARG 39 2HH1 ARG 39 16.115 -10.714 3.633 327 H GLN 40 H GLN 40 7.780 -15.346 3.684 328 HA GLN 40 HA GLN 40 6.691 -14.537 5.788 329 HB2 GLN 40 2HB GLN 40 8.162 -17.099 6.359 330 HB3 GLN 40 1HB GLN 40 6.535 -16.633 6.850 331 HG2 GLN 40 2HG GLN 40 5.827 -17.803 5.048 332 HG3 GLN 40 1HG GLN 40 6.423 -16.448 4.090 333 HE21 GLN 40 1HE2 GLN 40 9.221 -16.809 4.358 334 HE22 GLN 40 2HE2 GLN 40 9.657 -18.280 3.631 335 H GLY 41 H GLY 41 7.094 -13.335 7.513 336 HA2 GLY 41 2HA GLY 41 8.165 -13.054 9.658 337 HA3 GLY 41 1HA GLY 41 9.642 -13.694 8.950 338 H ASP 42 H ASP 42 8.151 -11.635 6.753 339 HA ASP 42 HA ASP 42 10.232 -9.683 7.006 340 HB2 ASP 42 2HB ASP 42 7.916 -10.110 5.212 341 HB3 ASP 42 1HB ASP 42 8.476 -8.445 5.393 342 H ALA 43 H ALA 43 9.434 -7.258 6.852 343 HA ALA 43 HA ALA 43 7.536 -6.785 9.069 344 HB1 ALA 43 1HB ALA 43 10.350 -5.984 8.749 345 HB2 ALA 43 2HB ALA 43 9.397 -6.194 10.219 346 HB3 ALA 43 3HB ALA 43 9.265 -4.701 9.286 347 H LEU 44 H LEU 44 6.076 -5.191 8.771 348 HA LEU 44 HA LEU 44 6.106 -3.782 6.188 349 HB2 LEU 44 2HB LEU 44 4.063 -4.913 6.568 350 HB3 LEU 44 1HB LEU 44 3.940 -4.290 8.217 351 HG LEU 44 HG LEU 44 3.573 -2.053 7.425 352 HD11 LEU 44 1HD1 LEU 44 4.487 -3.247 4.819 353 HD12 LEU 44 2HD1 LEU 44 5.068 -1.789 5.627 354 HD13 LEU 44 3HD1 LEU 44 3.497 -1.788 4.825 355 HD21 LEU 44 3HD2 LEU 44 2.045 -4.236 6.062 356 HD22 LEU 44 1HD2 LEU 44 1.691 -2.561 5.646 357 HD23 LEU 44 2HD2 LEU 44 1.504 -3.114 7.309 358 H GLN 45 H GLN 45 7.079 -1.838 6.237 359 HA GLN 45 HA GLN 45 6.556 -0.098 8.574 360 HB2 GLN 45 2HB GLN 45 9.102 -0.222 6.942 361 HB3 GLN 45 1HB GLN 45 8.802 0.819 8.334 362 HG2 GLN 45 2HG GLN 45 8.538 -1.138 9.781 363 HG3 GLN 45 1HG GLN 45 8.740 -2.212 8.397 364 HE21 GLN 45 1HE2 GLN 45 10.469 -1.858 10.887 365 HE22 GLN 45 2HE2 GLN 45 12.024 -1.549 10.279 366 H ALA 46 H ALA 46 7.342 -0.204 5.113 367 HA ALA 46 HA ALA 46 6.496 2.587 4.800 368 HB1 ALA 46 1HB ALA 46 8.415 2.271 3.529 369 HB2 ALA 46 2HB ALA 46 7.170 1.952 2.328 370 HB3 ALA 46 3HB ALA 46 7.994 0.610 3.120 371 H ILE 47 H ILE 47 4.967 3.190 3.148 372 HA ILE 47 HA ILE 47 2.736 1.310 2.949 373 HB ILE 47 HB ILE 47 1.942 3.468 3.433 374 HG12 ILE 47 2HG1 ILE 47 1.930 3.395 0.401 375 HG13 ILE 47 1HG1 ILE 47 0.858 2.426 1.414 376 HG21 ILE 47 1HG2 ILE 47 3.879 4.516 1.346 377 HG22 ILE 47 2HG2 ILE 47 4.086 4.635 3.095 378 HG23 ILE 47 3HG2 ILE 47 2.770 5.501 2.303 379 HD11 ILE 47 3HD1 ILE 47 0.630 5.022 2.434 380 HD12 ILE 47 1HD1 ILE 47 -0.552 4.184 1.430 381 HD13 ILE 47 2HD1 ILE 47 0.652 5.234 0.684 382 H TYR 48 H TYR 48 2.224 0.208 1.080 383 HA TYR 48 HA TYR 48 4.089 0.577 -1.169 384 HB2 TYR 48 2HB TYR 48 2.372 -1.739 -0.298 385 HB3 TYR 48 1HB TYR 48 3.319 -1.698 -1.773 386 HD1 TYR 48 2HD TYR 48 4.405 -0.424 1.619 387 HD2 TYR 48 1HD TYR 48 4.789 -3.367 -1.437 388 HE1 TYR 48 2HE TYR 48 6.397 -1.324 2.765 389 HE2 TYR 48 1HE TYR 48 6.797 -4.300 -0.304 390 HH TYR 48 HH TYR 48 7.605 -4.242 2.307 391 H PHE 49 H PHE 49 3.390 0.655 -3.248 392 HA PHE 49 HA PHE 49 0.566 0.416 -3.927 393 HB2 PHE 49 2HB PHE 49 1.599 2.975 -3.474 394 HB3 PHE 49 1HB PHE 49 1.681 2.761 -5.223 395 HD1 PHE 49 1HD PHE 49 -0.445 1.989 -6.483 396 HD2 PHE 49 2HD PHE 49 -0.464 3.382 -2.402 397 HE1 PHE 49 1HE PHE 49 -2.877 2.422 -6.632 398 HE2 PHE 49 2HE PHE 49 -2.901 3.803 -2.566 399 HZ PHE 49 HZ PHE 49 -4.107 3.323 -4.677 400 H VAL 50 H VAL 50 0.356 -0.437 -5.938 401 HA VAL 50 HA VAL 50 2.815 -0.834 -7.465 402 HB VAL 50 HB VAL 50 0.521 -2.424 -6.768 403 HG11 VAL 50 1HG1 VAL 50 -0.131 -1.765 -9.043 404 HG12 VAL 50 2HG1 VAL 50 0.162 -3.492 -8.914 405 HG13 VAL 50 3HG1 VAL 50 1.363 -2.439 -9.671 406 HG21 VAL 50 3HG2 VAL 50 2.099 -4.241 -7.534 407 HG22 VAL 50 1HG2 VAL 50 2.772 -3.152 -6.321 408 HG23 VAL 50 2HG2 VAL 50 3.226 -2.972 -8.016 409 H CYS 51 H CYS 51 3.085 0.101 -9.401 410 HA CYS 51 HA CYS 51 0.978 1.894 -10.322 411 HB2 CYS 51 2HB CYS 51 3.208 2.816 -10.233 412 HB3 CYS 51 1HB CYS 51 3.841 1.494 -11.212 413 HG CYS 51 HG CYS 51 3.396 3.358 -12.919 414 H SER 52 H SER 52 2.805 -0.916 -11.488 415 HA SER 52 HA SER 52 0.637 -1.760 -13.143 416 HB2 SER 52 2HB SER 52 2.394 0.115 -14.317 417 HB3 SER 52 1HB SER 52 2.793 -1.450 -15.019 418 HG SER 52 HG SER 52 0.929 -0.039 -15.870 419 H GLY 53 H GLY 53 0.818 -3.887 -13.677 420 HA2 GLY 53 2HA GLY 53 2.531 -5.660 -14.343 421 HA3 GLY 53 1HA GLY 53 3.292 -5.248 -12.811 422 H SER 54 H SER 54 2.963 -7.529 -12.224 423 HA SER 54 HA SER 54 0.333 -7.869 -10.965 424 HB2 SER 54 2HB SER 54 1.158 -10.370 -12.178 425 HB3 SER 54 1HB SER 54 -0.391 -9.536 -12.274 426 HG SER 54 HG SER 54 0.412 -9.500 -14.311 427 H MET 55 H MET 55 0.421 -8.939 -9.034 428 HA MET 55 HA MET 55 2.639 -10.679 -8.416 429 HB2 MET 55 2HB MET 55 3.817 -8.674 -7.944 430 HB3 MET 55 1HB MET 55 2.424 -7.960 -7.138 431 HG2 MET 55 2HG MET 55 2.633 -9.385 -5.258 432 HG3 MET 55 1HG MET 55 3.700 -10.495 -6.115 433 HE1 MET 55 3HE MET 55 3.060 -6.965 -5.270 434 HE2 MET 55 1HE MET 55 4.274 -6.466 -6.455 435 HE3 MET 55 2HE MET 55 4.576 -6.247 -4.733 436 H GLU 56 H GLU 56 2.491 -11.626 -6.265 437 HA GLU 56 HA GLU 56 0.091 -11.288 -4.720 438 HB2 GLU 56 2HB GLU 56 -0.604 -13.727 -5.167 439 HB3 GLU 56 1HB GLU 56 -1.006 -12.529 -6.398 440 HG2 GLU 56 2HG GLU 56 -0.023 -14.552 -7.424 441 HG3 GLU 56 1HG GLU 56 1.015 -13.150 -7.686 442 H VAL 57 H VAL 57 0.119 -12.551 -2.772 443 HA VAL 57 HA VAL 57 2.799 -13.552 -2.114 444 HB VAL 57 HB VAL 57 2.289 -13.233 0.152 445 HG11 VAL 57 1HG1 VAL 57 2.163 -11.176 -1.659 446 HG12 VAL 57 2HG1 VAL 57 2.212 -10.965 0.093 447 HG13 VAL 57 3HG1 VAL 57 0.667 -10.947 -0.754 448 HG21 VAL 57 3HG2 VAL 57 -0.466 -13.625 -0.781 449 HG22 VAL 57 1HG2 VAL 57 -0.285 -12.329 0.390 450 HG23 VAL 57 2HG2 VAL 57 0.256 -13.949 0.794 451 H LEU 58 H LEU 58 3.201 -15.681 -1.781 452 HA LEU 58 HA LEU 58 0.957 -17.547 -2.148 453 HB2 LEU 58 2HB LEU 58 3.241 -17.379 -3.551 454 HB3 LEU 58 1HB LEU 58 3.752 -18.508 -2.295 455 HG LEU 58 HG LEU 58 2.841 -19.792 -4.137 456 HD11 LEU 58 1HD1 LEU 58 2.198 -20.280 -1.656 457 HD12 LEU 58 2HD1 LEU 58 1.310 -21.111 -2.934 458 HD13 LEU 58 3HD1 LEU 58 0.595 -19.715 -2.128 459 HD21 LEU 58 3HD2 LEU 58 1.253 -17.576 -4.557 460 HD22 LEU 58 1HD2 LEU 58 0.097 -18.752 -3.930 461 HD23 LEU 58 2HD2 LEU 58 1.049 -19.130 -5.365 462 H LYS 59 H LYS 59 0.288 -18.806 -0.583 463 HA LYS 59 HA LYS 59 2.042 -20.023 1.311 464 HB2 LYS 59 2HB LYS 59 0.954 -17.510 2.053 465 HB3 LYS 59 1HB LYS 59 0.124 -18.733 3.002 466 HG2 LYS 59 2HG LYS 59 3.107 -18.285 2.819 467 HG3 LYS 59 1HG LYS 59 2.073 -18.088 4.233 468 HD2 LYS 59 2HD LYS 59 2.483 -20.213 4.793 469 HD3 LYS 59 1HD LYS 59 1.646 -20.724 3.335 470 HE2 LYS 59 2HE LYS 59 3.712 -21.699 2.955 471 HE3 LYS 59 1HE LYS 59 4.003 -20.129 2.210 472 HZ1 LYS 59 3HZ LYS 59 5.202 -19.395 4.023 473 HZ2 LYS 59 1HZ LYS 59 5.678 -21.018 3.917 474 HZ3 LYS 59 2HZ LYS 59 4.533 -20.545 5.078 475 H ASP 60 H ASP 60 1.103 -21.818 2.271 476 HA ASP 60 HA ASP 60 -0.377 -23.548 2.517 477 HB2 ASP 60 2HB ASP 60 -1.843 -21.148 3.011 478 HB3 ASP 60 1HB ASP 60 -2.892 -22.267 2.146 479 H ASN 61 H ASN 61 0.646 -23.156 -0.059 480 HA ASN 61 HA ASN 61 0.365 -24.016 -2.167 481 HB2 ASN 61 2HB ASN 61 -2.352 -24.980 -1.293 482 HB3 ASN 61 1HB ASN 61 -1.300 -25.659 -2.534 483 HD21 ASN 61 1HD2 ASN 61 1.061 -25.119 -0.560 484 HD22 ASN 61 2HD2 ASN 61 0.978 -26.439 0.503 485 H THR 62 H THR 62 -1.850 -21.779 -0.837 486 HA THR 62 HA THR 62 -2.721 -21.064 -3.571 487 HB THR 62 HB THR 62 -4.287 -20.517 -1.064 488 HG1 THR 62 1HG THR 62 -3.940 -22.815 -2.061 489 HG21 THR 62 3HG2 THR 62 -4.992 -20.368 -4.011 490 HG22 THR 62 1HG2 THR 62 -4.715 -18.973 -2.960 491 HG23 THR 62 2HG2 THR 62 -6.099 -20.037 -2.681 492 H VAL 63 H VAL 63 -3.084 -18.824 -3.952 493 HA VAL 63 HA VAL 63 -1.042 -17.174 -2.849 494 HB VAL 63 HB VAL 63 -2.790 -15.483 -4.145 495 HG11 VAL 63 1HG1 VAL 63 -0.319 -15.816 -4.483 496 HG12 VAL 63 2HG1 VAL 63 -1.228 -15.646 -5.984 497 HG13 VAL 63 3HG1 VAL 63 -0.699 -17.239 -5.452 498 HG21 VAL 63 3HG2 VAL 63 -4.177 -17.561 -4.602 499 HG22 VAL 63 1HG2 VAL 63 -2.812 -18.165 -5.536 500 HG23 VAL 63 2HG2 VAL 63 -3.651 -16.700 -6.052 501 H LEU 64 H LEU 64 -1.158 -16.130 -0.926 502 HA LEU 64 HA LEU 64 -3.637 -16.030 0.523 503 HB2 LEU 64 2HB LEU 64 -0.876 -15.728 1.146 504 HB3 LEU 64 1HB LEU 64 -1.696 -14.251 1.649 505 HG LEU 64 HG LEU 64 -3.463 -15.837 2.696 506 HD11 LEU 64 1HD1 LEU 64 -1.860 -17.918 3.474 507 HD12 LEU 64 2HD1 LEU 64 -1.357 -17.704 1.798 508 HD13 LEU 64 3HD1 LEU 64 -3.051 -18.015 2.176 509 HD21 LEU 64 3HD2 LEU 64 -1.600 -16.298 4.606 510 HD22 LEU 64 1HD2 LEU 64 -2.321 -14.712 4.334 511 HD23 LEU 64 2HD2 LEU 64 -0.745 -15.095 3.640 512 H ALA 65 H ALA 65 -2.027 -14.036 -1.749 513 HA ALA 65 HA ALA 65 -4.183 -12.079 -1.513 514 HB1 ALA 65 1HB ALA 65 -2.831 -10.178 -1.216 515 HB2 ALA 65 2HB ALA 65 -1.352 -11.065 -1.585 516 HB3 ALA 65 3HB ALA 65 -2.189 -11.343 -0.058 517 H ILE 66 H ILE 66 -4.819 -11.374 -3.454 518 HA ILE 66 HA ILE 66 -3.029 -11.857 -5.755 519 HB ILE 66 HB ILE 66 -6.003 -12.279 -5.489 520 HG12 ILE 66 2HG1 ILE 66 -5.124 -14.453 -6.709 521 HG13 ILE 66 1HG1 ILE 66 -3.576 -13.963 -6.022 522 HG21 ILE 66 1HG2 ILE 66 -4.307 -12.090 -7.995 523 HG22 ILE 66 2HG2 ILE 66 -5.655 -11.043 -7.555 524 HG23 ILE 66 3HG2 ILE 66 -5.946 -12.737 -7.951 525 HD11 ILE 66 3HD1 ILE 66 -4.499 -13.975 -3.783 526 HD12 ILE 66 1HD1 ILE 66 -4.886 -15.511 -4.544 527 HD13 ILE 66 2HD1 ILE 66 -6.121 -14.264 -4.407 528 H LEU 67 H LEU 67 -2.322 -9.782 -6.279 529 HA LEU 67 HA LEU 67 -4.443 -7.782 -6.688 530 HB2 LEU 67 2HB LEU 67 -2.346 -6.208 -5.975 531 HB3 LEU 67 1HB LEU 67 -3.651 -6.683 -4.894 532 HG LEU 67 HG LEU 67 -2.267 -8.724 -4.302 533 HD11 LEU 67 1HD1 LEU 67 -0.862 -8.134 -6.499 534 HD12 LEU 67 2HD1 LEU 67 -0.139 -8.995 -5.137 535 HD13 LEU 67 3HD1 LEU 67 0.118 -7.259 -5.325 536 HD21 LEU 67 3HD2 LEU 67 -0.771 -7.465 -2.799 537 HD22 LEU 67 1HD2 LEU 67 -2.363 -6.709 -2.854 538 HD23 LEU 67 2HD2 LEU 67 -1.021 -6.007 -3.758 539 H GLY 68 H GLY 68 -3.826 -5.966 -8.077 540 HA2 GLY 68 2HA GLY 68 -1.711 -6.634 -10.022 541 HA3 GLY 68 1HA GLY 68 -3.341 -6.277 -10.581 542 H LYS 69 H LYS 69 -2.563 -4.506 -11.785 543 HA LYS 69 HA LYS 69 -0.985 -2.404 -10.963 544 HB2 LYS 69 2HB LYS 69 -3.362 -2.099 -12.783 545 HB3 LYS 69 1HB LYS 69 -1.829 -1.245 -12.829 546 HG2 LYS 69 2HG LYS 69 -0.956 -2.812 -14.182 547 HG3 LYS 69 1HG LYS 69 -1.299 -4.058 -12.983 548 HD2 LYS 69 2HD LYS 69 -2.486 -4.680 -14.973 549 HD3 LYS 69 1HD LYS 69 -3.693 -4.058 -13.848 550 HE2 LYS 69 2HE LYS 69 -2.392 -2.108 -15.699 551 HE3 LYS 69 1HE LYS 69 -3.586 -3.214 -16.381 552 HZ1 LYS 69 3HZ LYS 69 -4.933 -1.534 -15.683 553 HZ2 LYS 69 1HZ LYS 69 -3.934 -1.102 -14.382 554 HZ3 LYS 69 2HZ LYS 69 -4.923 -2.479 -14.271 555 H GLY 70 H GLY 70 -1.217 -0.724 -9.641 556 HA2 GLY 70 2HA GLY 70 -2.244 1.059 -8.564 557 HA3 GLY 70 1HA GLY 70 -3.799 0.476 -9.123 558 H ASP 71 H ASP 71 -2.876 -2.262 -8.003 559 HA ASP 71 HA ASP 71 -4.380 -2.332 -5.703 560 HB2 ASP 71 2HB ASP 71 -3.348 -4.400 -5.195 561 HB3 ASP 71 1HB ASP 71 -3.306 -4.280 -6.955 562 H LEU 72 H LEU 72 -3.578 -2.740 -3.450 563 HA LEU 72 HA LEU 72 -1.283 -1.018 -2.780 564 HB2 LEU 72 2HB LEU 72 -3.453 0.161 -2.359 565 HB3 LEU 72 1HB LEU 72 -3.881 -1.124 -1.230 566 HG LEU 72 HG LEU 72 -1.545 -0.581 -0.160 567 HD11 LEU 72 1HD1 LEU 72 -1.080 1.023 -2.118 568 HD12 LEU 72 2HD1 LEU 72 -0.737 1.624 -0.494 569 HD13 LEU 72 3HD1 LEU 72 -2.209 2.123 -1.328 570 HD21 LEU 72 3HD2 LEU 72 -4.049 1.107 0.074 571 HD22 LEU 72 1HD2 LEU 72 -2.682 1.280 1.177 572 HD23 LEU 72 2HD2 LEU 72 -3.560 -0.247 1.093 573 H ILE 73 H ILE 73 0.051 -1.782 -1.215 574 HA ILE 73 HA ILE 73 -0.755 -4.295 0.061 575 HB ILE 73 HB ILE 73 0.889 -5.310 -1.023 576 HG12 ILE 73 2HG1 ILE 73 3.251 -4.867 -0.299 577 HG13 ILE 73 1HG1 ILE 73 2.655 -3.522 0.659 578 HG21 ILE 73 1HG2 ILE 73 1.331 -2.588 -1.915 579 HG22 ILE 73 2HG2 ILE 73 1.176 -4.067 -2.851 580 HG23 ILE 73 3HG2 ILE 73 2.715 -3.664 -2.093 581 HD11 ILE 73 3HD1 ILE 73 2.550 -6.370 1.228 582 HD12 ILE 73 1HD1 ILE 73 0.953 -5.628 1.324 583 HD13 ILE 73 2HD1 ILE 73 2.275 -5.006 2.310 584 H GLY 74 H GLY 74 -0.271 -4.627 2.107 585 HA2 GLY 74 2HA GLY 74 1.117 -4.021 4.089 586 HA3 GLY 74 1HA GLY 74 0.812 -2.342 3.643 587 H SER 75 H SER 75 0.137 -3.719 6.153 588 HA SER 75 HA SER 75 -2.713 -4.154 6.155 589 HB2 SER 75 2HB SER 75 -1.711 -3.643 8.786 590 HB3 SER 75 1HB SER 75 -2.229 -5.175 8.087 591 HG SER 75 HG SER 75 -0.103 -5.429 8.579 592 H ASP 76 H ASP 76 -4.311 -2.802 6.799 593 HA ASP 76 HA ASP 76 -4.005 -0.029 6.510 594 HB2 ASP 76 2HB ASP 76 -6.291 0.050 7.632 595 HB3 ASP 76 1HB ASP 76 -6.174 -0.943 6.180 596 H SER 77 H SER 77 -5.263 1.224 8.554 597 HA SER 77 HA SER 77 -4.993 2.119 10.657 598 HB2 SER 77 2HB SER 77 -4.442 0.725 12.422 599 HB3 SER 77 1HB SER 77 -4.943 -0.452 11.212 600 HG SER 77 HG SER 77 -2.313 0.364 11.894 601 H LEU 78 H LEU 78 -3.308 2.880 8.563 602 HA LEU 78 HA LEU 78 -0.564 2.837 9.076 603 HB2 LEU 78 2HB LEU 78 -2.364 4.247 7.343 604 HB3 LEU 78 1HB LEU 78 -1.210 5.392 8.025 605 HG LEU 78 HG LEU 78 0.615 3.718 7.408 606 HD11 LEU 78 1HD1 LEU 78 -1.784 2.311 6.485 607 HD12 LEU 78 2HD1 LEU 78 -0.159 1.689 6.771 608 HD13 LEU 78 3HD1 LEU 78 -0.551 2.453 5.231 609 HD21 LEU 78 3HD2 LEU 78 0.923 5.111 5.662 610 HD22 LEU 78 1HD2 LEU 78 -0.723 5.705 5.896 611 HD23 LEU 78 2HD2 LEU 78 -0.413 4.370 4.785 612 H THR 79 H THR 79 -2.993 4.127 10.985 613 HA THR 79 HA THR 79 -1.295 6.241 12.122 614 HB THR 79 HB THR 79 -3.930 5.787 13.336 615 HG1 THR 79 1HG THR 79 -4.190 5.232 11.052 616 HG21 THR 79 3HG2 THR 79 -4.065 8.247 12.877 617 HG22 THR 79 1HG2 THR 79 -2.501 8.140 12.071 618 HG23 THR 79 2HG2 THR 79 -2.631 7.784 13.793 619 H LYS 80 H LYS 80 -2.527 3.059 12.778 620 HA LYS 80 HA LYS 80 -1.698 3.201 15.588 621 HB2 LYS 80 2HB LYS 80 -3.884 2.102 14.744 622 HB3 LYS 80 1HB LYS 80 -2.845 0.773 14.232 623 HG2 LYS 80 2HG LYS 80 -2.028 1.440 16.858 624 HG3 LYS 80 1HG LYS 80 -3.792 1.404 16.885 625 HD2 LYS 80 2HD LYS 80 -2.163 -0.801 15.610 626 HD3 LYS 80 1HD LYS 80 -2.603 -0.826 17.318 627 HE2 LYS 80 2HE LYS 80 -5.024 -0.405 16.478 628 HE3 LYS 80 1HE LYS 80 -4.412 -0.931 14.910 629 HZ1 LYS 80 3HZ LYS 80 -4.108 -3.041 15.628 630 HZ2 LYS 80 1HZ LYS 80 -5.367 -2.618 16.684 631 HZ3 LYS 80 2HZ LYS 80 -3.758 -2.582 17.226 632 H GLU 81 H GLU 81 0.246 3.291 13.375 633 HA GLU 81 HA GLU 81 1.689 1.312 12.508 634 HB2 GLU 81 2HB GLU 81 2.510 3.693 12.915 635 HB3 GLU 81 1HB GLU 81 3.052 3.126 14.495 636 HG2 GLU 81 2HG GLU 81 4.490 1.466 13.478 637 HG3 GLU 81 1HG GLU 81 3.845 1.825 11.878 638 H GLN 82 H GLN 82 1.156 -0.689 13.400 639 HA GLN 82 HA GLN 82 2.301 -1.252 16.065 640 HB2 GLN 82 2HB GLN 82 -0.264 -1.788 15.050 641 HB3 GLN 82 1HB GLN 82 0.572 -3.334 15.088 642 HG2 GLN 82 2HG GLN 82 0.177 -1.424 17.387 643 HG3 GLN 82 1HG GLN 82 -0.462 -3.056 17.214 644 HE21 GLN 82 1HE2 GLN 82 2.373 -1.195 18.106 645 HE22 GLN 82 2HE2 GLN 82 3.325 -2.519 18.575 646 H VAL 83 H VAL 83 2.945 -3.657 16.253 647 HA VAL 83 HA VAL 83 5.021 -4.131 14.348 648 HB VAL 83 HB VAL 83 5.639 -5.959 15.720 649 HG11 VAL 83 1HG1 VAL 83 4.256 -3.824 17.367 650 HG12 VAL 83 2HG1 VAL 83 5.955 -3.875 16.893 651 HG13 VAL 83 3HG1 VAL 83 5.329 -5.041 18.058 652 HG21 VAL 83 3HG2 VAL 83 3.875 -6.667 17.547 653 HG22 VAL 83 1HG2 VAL 83 3.751 -7.325 15.916 654 HG23 VAL 83 2HG2 VAL 83 2.712 -5.987 16.409 655 H ILE 84 H ILE 84 4.530 -4.742 12.338 656 HA ILE 84 HA ILE 84 2.704 -7.041 11.989 657 HB ILE 84 HB ILE 84 2.922 -4.676 10.115 658 HG12 ILE 84 2HG1 ILE 84 0.420 -5.293 11.609 659 HG13 ILE 84 1HG1 ILE 84 1.727 -4.544 12.526 660 HG21 ILE 84 1HG2 ILE 84 2.057 -7.300 9.687 661 HG22 ILE 84 2HG2 ILE 84 1.701 -5.904 8.671 662 HG23 ILE 84 3HG2 ILE 84 0.570 -6.385 9.937 663 HD11 ILE 84 3HD1 ILE 84 -0.074 -3.119 11.087 664 HD12 ILE 84 1HD1 ILE 84 1.174 -3.357 9.863 665 HD13 ILE 84 2HD1 ILE 84 1.574 -2.566 11.388 666 H LYS 85 H LYS 85 3.631 -8.696 11.014 667 HA LYS 85 HA LYS 85 5.848 -8.169 9.147 668 HB2 LYS 85 2HB LYS 85 6.646 -10.529 10.090 669 HB3 LYS 85 1HB LYS 85 7.116 -9.023 10.867 670 HG2 LYS 85 2HG LYS 85 5.352 -9.227 12.499 671 HG3 LYS 85 1HG LYS 85 4.682 -10.617 11.652 672 HD2 LYS 85 2HD LYS 85 6.748 -11.894 12.092 673 HD3 LYS 85 1HD LYS 85 7.416 -10.504 12.950 674 HE2 LYS 85 2HE LYS 85 5.865 -12.546 14.064 675 HE3 LYS 85 1HE LYS 85 6.287 -11.011 14.823 676 HZ1 LYS 85 3HZ LYS 85 4.306 -10.093 13.541 677 HZ2 LYS 85 1HZ LYS 85 3.976 -11.072 14.885 678 HZ3 LYS 85 2HZ LYS 85 3.844 -11.712 13.317 679 H THR 86 H THR 86 5.805 -9.324 7.282 680 HA THR 86 HA THR 86 3.358 -10.671 6.629 681 HB THR 86 HB THR 86 5.838 -10.737 4.908 682 HG1 THR 86 1HG THR 86 5.725 -8.665 4.791 683 HG21 THR 86 3HG2 THR 86 3.998 -10.510 3.159 684 HG22 THR 86 1HG2 THR 86 2.847 -10.778 4.467 685 HG23 THR 86 2HG2 THR 86 4.011 -12.029 4.054 686 H ASN 87 H ASN 87 2.869 -12.664 7.154 687 HA ASN 87 HA ASN 87 4.921 -14.573 7.919 688 HB2 ASN 87 2HB ASN 87 2.557 -14.138 8.996 689 HB3 ASN 87 1HB ASN 87 2.017 -15.263 7.749 690 HD21 ASN 87 1HD2 ASN 87 1.951 -17.363 8.542 691 HD22 ASN 87 2HD2 ASN 87 3.048 -18.020 9.657 692 H ALA 88 H ALA 88 3.078 -13.835 5.116 693 HA ALA 88 HA ALA 88 3.402 -16.502 3.981 694 HB1 ALA 88 1HB ALA 88 1.350 -15.747 3.245 695 HB2 ALA 88 2HB ALA 88 2.360 -15.117 1.939 696 HB3 ALA 88 3HB ALA 88 1.859 -14.058 3.259 697 H ASN 89 H ASN 89 3.869 -15.997 1.360 698 HA ASN 89 HA ASN 89 6.534 -14.698 1.377 699 HB2 ASN 89 2HB ASN 89 5.549 -17.086 -0.211 700 HB3 ASN 89 1HB ASN 89 7.104 -16.297 -0.460 701 HD21 ASN 89 1HD2 ASN 89 8.807 -17.153 0.741 702 HD22 ASN 89 2HD2 ASN 89 8.627 -18.078 2.154 703 H VAL 90 H VAL 90 6.883 -13.140 -0.256 704 HA VAL 90 HA VAL 90 4.558 -12.582 -1.917 705 HB VAL 90 HB VAL 90 6.886 -10.968 -1.020 706 HG11 VAL 90 1HG1 VAL 90 6.664 -10.509 -3.293 707 HG12 VAL 90 2HG1 VAL 90 5.843 -9.177 -2.472 708 HG13 VAL 90 3HG1 VAL 90 4.910 -10.476 -3.220 709 HG21 VAL 90 3HG2 VAL 90 4.662 -11.275 0.313 710 HG22 VAL 90 1HG2 VAL 90 3.986 -10.217 -0.927 711 HG23 VAL 90 2HG2 VAL 90 5.305 -9.643 0.096 712 H LYS 91 H LYS 91 4.610 -12.946 -4.014 713 HA LYS 91 HA LYS 91 7.209 -13.124 -5.365 714 HB2 LYS 91 2HB LYS 91 6.624 -15.429 -4.815 715 HB3 LYS 91 1HB LYS 91 5.033 -15.216 -5.546 716 HG2 LYS 91 2HG LYS 91 5.996 -14.890 -7.731 717 HG3 LYS 91 1HG LYS 91 7.626 -14.825 -7.060 718 HD2 LYS 91 2HD LYS 91 7.387 -17.032 -7.934 719 HD3 LYS 91 1HD LYS 91 7.210 -17.191 -6.186 720 HE2 LYS 91 2HE LYS 91 5.099 -17.955 -6.396 721 HE3 LYS 91 1HE LYS 91 4.655 -16.607 -7.442 722 HZ1 LYS 91 3HZ LYS 91 4.424 -18.412 -8.828 723 HZ2 LYS 91 1HZ LYS 91 5.753 -19.238 -8.172 724 HZ3 LYS 91 2HZ LYS 91 6.005 -17.906 -9.196 725 H ALA 92 H ALA 92 7.162 -11.749 -6.995 726 HA ALA 92 HA ALA 92 4.743 -10.653 -8.029 727 HB1 ALA 92 1HB ALA 92 7.605 -10.200 -8.330 728 HB2 ALA 92 2HB ALA 92 6.264 -9.059 -8.449 729 HB3 ALA 92 3HB ALA 92 6.727 -10.025 -9.849 730 H LEU 93 H LEU 93 3.484 -11.472 -9.553 731 HA LEU 93 HA LEU 93 4.122 -13.905 -10.903 732 HB2 LEU 93 2HB LEU 93 1.813 -12.174 -10.552 733 HB3 LEU 93 1HB LEU 93 1.942 -12.755 -12.212 734 HG LEU 93 HG LEU 93 1.975 -15.048 -11.496 735 HD11 LEU 93 1HD1 LEU 93 2.733 -13.809 -8.927 736 HD12 LEU 93 2HD1 LEU 93 3.154 -15.392 -9.581 737 HD13 LEU 93 3HD1 LEU 93 1.601 -15.154 -8.780 738 HD21 LEU 93 3HD2 LEU 93 -0.105 -14.855 -9.753 739 HD22 LEU 93 1HD2 LEU 93 -0.273 -14.622 -11.494 740 HD23 LEU 93 2HD2 LEU 93 -0.109 -13.226 -10.429 741 H THR 94 H THR 94 3.717 -10.527 -11.906 742 HA THR 94 HA THR 94 5.384 -11.067 -14.278 743 HB THR 94 HB THR 94 3.169 -9.055 -14.420 744 HG1 THR 94 1HG THR 94 1.811 -10.620 -14.119 745 HG21 THR 94 3HG2 THR 94 4.025 -10.926 -16.591 746 HG22 THR 94 1HG2 THR 94 5.115 -9.620 -16.127 747 HG23 THR 94 2HG2 THR 94 3.490 -9.249 -16.704 748 H TYR 95 H TYR 95 6.656 -9.265 -14.967 749 HA TYR 95 HA TYR 95 7.914 -7.811 -13.019 750 HB2 TYR 95 2HB TYR 95 8.032 -6.087 -15.170 751 HB3 TYR 95 1HB TYR 95 9.121 -7.431 -14.879 752 HD1 TYR 95 1HD TYR 95 6.091 -6.364 -16.592 753 HD2 TYR 95 2HD TYR 95 9.008 -9.457 -16.203 754 HE1 TYR 95 1HE TYR 95 5.202 -7.440 -18.654 755 HE2 TYR 95 2HE TYR 95 8.139 -10.552 -18.256 756 HH TYR 95 HH TYR 95 5.875 -8.977 -20.348 757 H CYS 96 H CYS 96 7.258 -6.325 -11.637 758 HA CYS 96 HA CYS 96 5.265 -4.352 -12.517 759 HB2 CYS 96 2HB CYS 96 4.262 -6.303 -11.166 760 HB3 CYS 96 1HB CYS 96 5.123 -5.617 -9.790 761 HG CYS 96 HG CYS 96 2.750 -4.261 -11.267 762 H ASP 97 H ASP 97 5.693 -2.328 -11.910 763 HA ASP 97 HA ASP 97 8.079 -1.820 -10.304 764 HB2 ASP 97 2HB ASP 97 8.036 -0.371 -12.138 765 HB3 ASP 97 1HB ASP 97 6.288 -0.159 -12.053 766 H LEU 98 H LEU 98 7.984 -1.299 -8.181 767 HA LEU 98 HA LEU 98 5.318 -0.640 -7.094 768 HB2 LEU 98 2HB LEU 98 6.589 -2.899 -6.539 769 HB3 LEU 98 1HB LEU 98 7.424 -1.872 -5.377 770 HG LEU 98 HG LEU 98 4.420 -1.784 -5.532 771 HD11 LEU 98 1HD1 LEU 98 5.045 -4.176 -5.380 772 HD12 LEU 98 2HD1 LEU 98 4.298 -3.598 -3.891 773 HD13 LEU 98 3HD1 LEU 98 6.046 -3.813 -3.975 774 HD21 LEU 98 3HD2 LEU 98 4.633 -0.633 -3.585 775 HD22 LEU 98 1HD2 LEU 98 6.327 -0.452 -4.044 776 HD23 LEU 98 2HD2 LEU 98 5.842 -1.753 -2.957 777 H GLN 99 H GLN 99 5.085 1.164 -5.973 778 HA GLN 99 HA GLN 99 7.508 2.689 -5.239 779 HB2 GLN 99 2HB GLN 99 5.996 3.819 -6.849 780 HB3 GLN 99 1HB GLN 99 4.679 3.685 -5.682 781 HG2 GLN 99 2HG GLN 99 5.806 5.109 -4.115 782 HG3 GLN 99 1HG GLN 99 7.301 5.057 -5.048 783 HE21 GLN 99 1HE2 GLN 99 3.899 5.644 -6.103 784 HE22 GLN 99 2HE2 GLN 99 4.234 7.145 -6.822 785 H TYR 100 H TYR 100 7.853 3.144 -3.120 786 HA TYR 100 HA TYR 100 5.705 3.102 -1.205 787 HB2 TYR 100 2HB TYR 100 6.375 1.230 0.088 788 HB3 TYR 100 1HB TYR 100 6.318 0.650 -1.573 789 HD1 TYR 100 2HD TYR 100 9.007 2.228 -2.303 790 HD2 TYR 100 1HD TYR 100 7.883 -0.558 0.766 791 HE1 TYR 100 2HE TYR 100 11.360 1.501 -2.103 792 HE2 TYR 100 1HE TYR 100 10.240 -1.288 0.955 793 HH TYR 100 HH TYR 100 12.677 0.163 0.248 794 H ILE 101 H ILE 101 6.448 3.679 0.971 795 HA ILE 101 HA ILE 101 9.166 4.640 1.192 796 HB ILE 101 HB ILE 101 8.439 6.530 0.084 797 HG12 ILE 101 2HG1 ILE 101 7.855 7.081 3.014 798 HG13 ILE 101 1HG1 ILE 101 9.450 7.144 2.254 799 HG21 ILE 101 1HG2 ILE 101 5.905 6.196 1.655 800 HG22 ILE 101 2HG2 ILE 101 6.104 5.946 -0.074 801 HG23 ILE 101 3HG2 ILE 101 6.219 7.572 0.605 802 HD11 ILE 101 3HD1 ILE 101 8.374 9.392 2.421 803 HD12 ILE 101 1HD1 ILE 101 7.067 8.794 1.395 804 HD13 ILE 101 2HD1 ILE 101 8.706 8.910 0.754 805 H SER 102 H SER 102 9.887 4.786 3.240 806 HA SER 102 HA SER 102 8.669 3.438 5.314 807 HB2 SER 102 2HB SER 102 10.371 4.257 6.697 808 HB3 SER 102 1HB SER 102 11.085 4.338 5.088 809 HG SER 102 HG SER 102 11.421 6.318 5.940 810 H LEU 103 H LEU 103 7.260 3.892 6.905 811 HA LEU 103 HA LEU 103 5.394 5.964 6.629 812 HB2 LEU 103 2HB LEU 103 5.683 3.702 8.236 813 HB3 LEU 103 1HB LEU 103 5.668 5.046 9.378 814 HG LEU 103 HG LEU 103 3.380 4.232 8.925 815 HD11 LEU 103 1HD1 LEU 103 4.068 6.740 9.232 816 HD12 LEU 103 2HD1 LEU 103 2.425 6.359 8.717 817 HD13 LEU 103 3HD1 LEU 103 3.622 6.887 7.533 818 HD21 LEU 103 3HD2 LEU 103 4.359 4.063 6.270 819 HD22 LEU 103 1HD2 LEU 103 3.091 5.289 6.253 820 HD23 LEU 103 2HD2 LEU 103 2.740 3.664 6.840 821 H LYS 104 H LYS 104 8.351 5.718 8.534 822 HA LYS 104 HA LYS 104 7.979 8.129 10.011 823 HB2 LYS 104 2HB LYS 104 10.712 7.104 9.357 824 HB3 LYS 104 1HB LYS 104 10.088 7.739 10.879 825 HG2 LYS 104 2HG LYS 104 8.680 5.690 11.112 826 HG3 LYS 104 1HG LYS 104 9.428 5.047 9.650 827 HD2 LYS 104 2HD LYS 104 11.244 4.374 10.796 828 HD3 LYS 104 1HD LYS 104 11.459 5.981 11.491 829 HE2 LYS 104 2HE LYS 104 9.601 5.399 13.125 830 HE3 LYS 104 1HE LYS 104 9.716 3.740 12.536 831 HZ1 LYS 104 3HZ LYS 104 12.300 4.655 13.080 832 HZ2 LYS 104 1HZ LYS 104 11.437 3.425 13.866 833 HZ3 LYS 104 2HZ LYS 104 11.332 5.026 14.427 834 H GLY 105 H GLY 105 9.477 7.317 6.935 835 HA2 GLY 105 2HA GLY 105 10.703 9.857 6.459 836 HA3 GLY 105 1HA GLY 105 10.383 8.601 5.270 837 H LEU 106 H LEU 106 7.704 8.320 5.325 838 HA LEU 106 HA LEU 106 6.838 10.536 3.766 839 HB2 LEU 106 2HB LEU 106 6.036 8.308 3.275 840 HB3 LEU 106 1HB LEU 106 5.318 8.175 4.880 841 HG LEU 106 HG LEU 106 4.493 10.563 3.348 842 HD11 LEU 106 1HD1 LEU 106 4.353 9.220 1.441 843 HD12 LEU 106 2HD1 LEU 106 2.761 8.983 2.161 844 HD13 LEU 106 3HD1 LEU 106 4.015 7.760 2.372 845 HD21 LEU 106 3HD2 LEU 106 2.637 8.514 4.493 846 HD22 LEU 106 1HD2 LEU 106 2.534 10.274 4.545 847 HD23 LEU 106 2HD2 LEU 106 3.651 9.425 5.612 848 H ARG 107 H ARG 107 6.093 9.432 7.050 849 HA ARG 107 HA ARG 107 4.091 11.391 7.472 850 HB2 ARG 107 2HB ARG 107 3.992 9.449 8.843 851 HB3 ARG 107 1HB ARG 107 5.644 9.674 9.387 852 HG2 ARG 107 2HG ARG 107 4.010 10.407 11.101 853 HG3 ARG 107 1HG ARG 107 5.022 11.740 10.545 854 HD2 ARG 107 2HD ARG 107 3.261 12.844 9.667 855 HD3 ARG 107 1HD ARG 107 2.648 11.385 8.894 856 HE ARG 107 HE ARG 107 1.088 11.354 10.594 857 HH11 ARG 107 1HH2 ARG 107 4.095 12.622 11.744 858 HH12 ARG 107 2HH2 ARG 107 3.538 12.848 13.368 859 HH21 ARG 107 1HH1 ARG 107 0.349 11.648 12.722 860 HH22 ARG 107 2HH1 ARG 107 1.417 12.296 13.922 861 H GLU 108 H GLU 108 7.543 11.432 7.860 862 HA GLU 108 HA GLU 108 7.723 13.679 9.602 863 HB2 GLU 108 2HB GLU 108 9.581 12.035 9.130 864 HB3 GLU 108 1HB GLU 108 9.763 12.795 7.549 865 HG2 GLU 108 2HG GLU 108 10.617 14.749 8.430 866 HG3 GLU 108 1HG GLU 108 9.738 14.572 9.948 867 H VAL 109 H VAL 109 8.118 13.288 6.127 868 HA VAL 109 HA VAL 109 8.410 15.977 5.397 869 HB VAL 109 HB VAL 109 7.400 15.058 3.181 870 HG11 VAL 109 1HG1 VAL 109 9.745 15.132 3.206 871 HG12 VAL 109 2HG1 VAL 109 9.455 13.388 3.077 872 HG13 VAL 109 3HG1 VAL 109 9.841 14.103 4.638 873 HG21 VAL 109 3HG2 VAL 109 7.492 12.517 3.195 874 HG22 VAL 109 1HG2 VAL 109 6.078 13.290 3.905 875 HG23 VAL 109 2HG2 VAL 109 7.335 12.635 4.941 876 H LEU 110 H LEU 110 5.538 13.910 5.473 877 HA LEU 110 HA LEU 110 3.672 15.935 4.886 878 HB2 LEU 110 2HB LEU 110 3.664 13.176 5.425 879 HB3 LEU 110 1HB LEU 110 2.593 13.869 6.607 880 HG LEU 110 HG LEU 110 1.303 14.969 4.832 881 HD11 LEU 110 1HD1 LEU 110 3.728 14.451 3.357 882 HD12 LEU 110 2HD1 LEU 110 2.394 15.524 2.944 883 HD13 LEU 110 3HD1 LEU 110 2.338 13.824 2.477 884 HD21 LEU 110 3HD2 LEU 110 0.232 13.066 4.082 885 HD22 LEU 110 1HD2 LEU 110 1.205 12.359 5.373 886 HD23 LEU 110 2HD2 LEU 110 1.739 12.238 3.695 887 H ARG 111 H ARG 111 5.353 15.014 7.809 888 HA ARG 111 HA ARG 111 3.734 16.273 9.726 889 HB2 ARG 111 2HB ARG 111 5.992 14.924 9.992 890 HB3 ARG 111 1HB ARG 111 6.716 16.529 9.905 891 HG2 ARG 111 2HG ARG 111 5.264 17.286 11.749 892 HG3 ARG 111 1HG ARG 111 4.538 15.681 11.838 893 HD2 ARG 111 2HD ARG 111 6.165 15.489 13.477 894 HD3 ARG 111 1HD ARG 111 7.058 14.907 12.076 895 HE ARG 111 HE ARG 111 8.441 16.742 12.310 896 HH11 ARG 111 1HH2 ARG 111 5.371 17.342 13.788 897 HH12 ARG 111 2HH2 ARG 111 5.818 18.896 14.410 898 HH21 ARG 111 1HH1 ARG 111 9.035 18.781 13.122 899 HH22 ARG 111 2HH1 ARG 111 7.892 19.710 14.033 900 H LEU 112 H LEU 112 6.021 17.478 7.365 901 HA LEU 112 HA LEU 112 6.169 20.169 8.256 902 HB2 LEU 112 2HB LEU 112 7.429 18.828 6.295 903 HB3 LEU 112 1HB LEU 112 6.157 19.577 5.328 904 HG LEU 112 HG LEU 112 6.921 21.706 6.823 905 HD11 LEU 112 1HD1 LEU 112 8.763 20.027 7.709 906 HD12 LEU 112 2HD1 LEU 112 9.186 21.703 7.355 907 HD13 LEU 112 3HD1 LEU 112 9.563 20.433 6.190 908 HD21 LEU 112 3HD2 LEU 112 6.769 21.892 4.462 909 HD22 LEU 112 1HD2 LEU 112 7.981 20.637 4.202 910 HD23 LEU 112 2HD2 LEU 112 8.465 22.219 4.814 911 H TYR 113 H TYR 113 3.898 18.234 6.527 912 HA TYR 113 HA TYR 113 2.022 20.531 6.361 913 HB2 TYR 113 2HB TYR 113 2.642 18.346 4.442 914 HB3 TYR 113 1HB TYR 113 0.943 18.784 4.616 915 HD1 TYR 113 2HD TYR 113 4.328 20.312 4.120 916 HD2 TYR 113 1HD TYR 113 0.093 20.657 3.489 917 HE1 TYR 113 2HE TYR 113 4.699 22.333 2.732 918 HE2 TYR 113 1HE TYR 113 0.465 22.676 2.101 919 HH TYR 113 HH TYR 113 2.780 24.527 2.133 920 HA PRO 114 HA PRO 114 0.544 17.610 9.613 921 HB2 PRO 114 2HB PRO 114 -0.840 20.055 10.516 922 HB3 PRO 114 1HB PRO 114 0.235 18.967 11.408 923 HG2 PRO 114 2HG PRO 114 0.991 21.419 10.644 924 HG3 PRO 114 1HG PRO 114 2.123 20.059 10.733 925 HD2 PRO 114 2HD PRO 114 0.867 21.308 8.318 926 HD3 PRO 114 1HD PRO 114 2.492 20.618 8.520 927 H GLU 115 H GLU 115 -1.490 20.047 7.933 928 HA GLU 115 HA GLU 115 -3.957 18.834 8.581 929 HB2 GLU 115 2HB GLU 115 -3.060 20.756 6.463 930 HB3 GLU 115 1HB GLU 115 -4.683 20.066 6.391 931 HG2 GLU 115 2HG GLU 115 -4.497 22.262 7.660 932 HG3 GLU 115 1HG GLU 115 -5.249 20.938 8.547 933 H TYR 116 H TYR 116 -2.002 18.619 5.624 934 HA TYR 116 HA TYR 116 -3.660 16.634 4.411 935 HB2 TYR 116 2HB TYR 116 -1.067 17.953 3.832 936 HB3 TYR 116 1HB TYR 116 -1.321 16.370 3.105 937 HD1 TYR 116 1HD TYR 116 -3.758 16.029 2.052 938 HD2 TYR 116 2HD TYR 116 -1.847 19.823 2.688 939 HE1 TYR 116 1HE TYR 116 -5.232 17.058 0.343 940 HE2 TYR 116 2HE TYR 116 -3.320 20.853 0.980 941 HH TYR 116 HH TYR 116 -5.339 18.950 -1.094 942 H ALA 117 H ALA 117 -0.823 16.614 6.449 943 HA ALA 117 HA ALA 117 -0.105 13.909 6.095 944 HB1 ALA 117 1HB ALA 117 1.473 15.465 6.937 945 HB2 ALA 117 2HB ALA 117 1.185 14.266 8.201 946 HB3 ALA 117 3HB ALA 117 0.442 15.862 8.307 947 H GLN 118 H GLN 118 -1.706 15.434 8.889 948 HA GLN 118 HA GLN 118 -2.264 13.092 10.269 949 HB2 GLN 118 2HB GLN 118 -3.860 15.660 10.063 950 HB3 GLN 118 1HB GLN 118 -4.184 14.393 11.234 951 HG2 GLN 118 2HG GLN 118 -1.662 16.035 10.989 952 HG3 GLN 118 1HG GLN 118 -2.819 16.041 12.318 953 HE21 GLN 118 1HE2 GLN 118 -0.321 14.054 10.728 954 HE22 GLN 118 2HE2 GLN 118 -0.076 13.019 12.050 955 H LYS 119 H LYS 119 -3.814 14.599 7.540 956 HA LYS 119 HA LYS 119 -6.106 12.876 7.477 957 HB2 LYS 119 2HB LYS 119 -5.538 15.262 6.349 958 HB3 LYS 119 1HB LYS 119 -5.208 14.194 4.985 959 HG2 LYS 119 2HG LYS 119 -7.421 13.229 5.124 960 HG3 LYS 119 1HG LYS 119 -7.755 14.099 6.621 961 HD2 LYS 119 2HD LYS 119 -7.499 16.252 5.392 962 HD3 LYS 119 1HD LYS 119 -7.276 15.341 3.897 963 HE2 LYS 119 2HE LYS 119 -9.487 14.737 3.771 964 HE3 LYS 119 1HE LYS 119 -9.675 14.667 5.524 965 HZ1 LYS 119 3HZ LYS 119 -10.015 16.904 3.714 966 HZ2 LYS 119 1HZ LYS 119 -9.203 17.266 5.158 967 HZ3 LYS 119 2HZ LYS 119 -10.760 16.589 5.207 968 H PHE 120 H PHE 120 -2.826 12.708 6.198 969 HA PHE 120 HA PHE 120 -3.227 10.963 4.063 970 HB2 PHE 120 2HB PHE 120 -1.056 11.351 3.903 971 HB3 PHE 120 1HB PHE 120 -1.030 12.017 5.530 972 HD1 PHE 120 1HD PHE 120 -0.997 8.729 3.714 973 HD2 PHE 120 2HD PHE 120 0.194 10.935 7.202 974 HE1 PHE 120 1HE PHE 120 0.391 6.829 4.433 975 HE2 PHE 120 2HE PHE 120 1.568 9.008 7.943 976 HZ PHE 120 HZ PHE 120 1.669 6.955 6.557 977 H VAL 121 H VAL 121 -2.393 10.045 7.426 978 HA VAL 121 HA VAL 121 -2.410 7.296 7.029 979 HB VAL 121 HB VAL 121 -3.036 7.146 9.461 980 HG11 VAL 121 1HG1 VAL 121 -0.876 9.058 8.555 981 HG12 VAL 121 2HG1 VAL 121 -0.708 7.344 8.935 982 HG13 VAL 121 3HG1 VAL 121 -1.019 8.508 10.224 983 HG21 VAL 121 3HG2 VAL 121 -2.893 9.624 10.473 984 HG22 VAL 121 1HG2 VAL 121 -4.432 8.903 10.004 985 HG23 VAL 121 2HG2 VAL 121 -3.614 10.025 8.915 986 H SER 122 H SER 122 -5.091 9.530 7.479 987 HA SER 122 HA SER 122 -7.055 7.389 7.612 988 HB2 SER 122 2HB SER 122 -8.153 8.979 8.739 989 HB3 SER 122 1HB SER 122 -6.964 10.189 8.270 990 HG SER 122 HG SER 122 -9.405 10.109 7.488 991 H GLU 123 H GLU 123 -5.752 9.589 5.219 992 HA GLU 123 HA GLU 123 -7.893 9.243 3.338 993 HB2 GLU 123 2HB GLU 123 -6.017 11.115 3.536 994 HB3 GLU 123 1HB GLU 123 -5.173 10.041 2.422 995 HG2 GLU 123 2HG GLU 123 -6.417 11.530 1.041 996 HG3 GLU 123 1HG GLU 123 -7.327 10.020 1.041 997 H ILE 124 H ILE 124 -5.135 7.369 4.201 998 HA ILE 124 HA ILE 124 -4.501 6.111 1.796 999 HB ILE 124 HB ILE 124 -3.608 5.895 4.340 1000 HG12 ILE 124 2HG1 ILE 124 -3.264 4.296 1.845 1001 HG13 ILE 124 1HG1 ILE 124 -2.095 5.282 2.723 1002 HG21 ILE 124 1HG2 ILE 124 -4.066 3.685 5.209 1003 HG22 ILE 124 2HG2 ILE 124 -5.022 3.270 3.790 1004 HG23 ILE 124 3HG2 ILE 124 -5.609 4.482 4.928 1005 HD11 ILE 124 3HD1 ILE 124 -1.328 3.134 3.209 1006 HD12 ILE 124 1HD1 ILE 124 -2.955 2.455 3.243 1007 HD13 ILE 124 2HD1 ILE 124 -2.385 3.442 4.587 1008 H GLN 125 H GLN 125 -7.068 5.400 4.138 1009 HA GLN 125 HA GLN 125 -7.968 2.955 3.294 1010 HB2 GLN 125 2HB GLN 125 -9.484 5.365 4.287 1011 HB3 GLN 125 1HB GLN 125 -10.280 3.834 3.929 1012 HG2 GLN 125 2HG GLN 125 -9.749 3.798 6.254 1013 HG3 GLN 125 1HG GLN 125 -8.642 2.712 5.429 1014 HE21 GLN 125 1HE2 GLN 125 -7.277 3.155 7.475 1015 HE22 GLN 125 2HE2 GLN 125 -6.278 4.526 7.455 1016 H HIS 126 H HIS 126 -8.368 6.052 1.703 1017 HA HIS 126 HA HIS 126 -10.424 5.388 -0.079 1018 HB2 HIS 126 2HB HIS 126 -9.828 7.662 0.066 1019 HB3 HIS 126 1HB HIS 126 -8.141 7.309 -0.277 1020 HD1 HIS 126 1HD HIS 126 -7.512 6.707 -2.750 1021 HD2 HIS 126 2HD HIS 126 -11.492 7.826 -2.218 1022 HE1 HIS 126 1HE HIS 126 -8.454 7.125 -5.063 1023 HE2 HIS 126 2HE HIS 126 -10.879 7.811 -4.756 1024 H ASP 127 H ASP 127 -7.196 4.267 0.080 1025 HA ASP 127 HA ASP 127 -7.458 3.111 -2.635 1026 HB2 ASP 127 2HB ASP 127 -4.962 3.966 -1.155 1027 HB3 ASP 127 1HB ASP 127 -4.959 3.056 -2.665 1028 H LEU 128 H LEU 128 -8.215 2.157 0.166 1029 HA LEU 128 HA LEU 128 -6.491 0.059 0.935 1030 HB2 LEU 128 2HB LEU 128 -8.287 1.010 2.364 1031 HB3 LEU 128 1HB LEU 128 -9.485 0.241 1.325 1032 HG LEU 128 HG LEU 128 -7.643 -1.789 1.958 1033 HD11 LEU 128 1HD1 LEU 128 -6.726 -0.499 3.783 1034 HD12 LEU 128 2HD1 LEU 128 -7.780 -1.729 4.481 1035 HD13 LEU 128 3HD1 LEU 128 -8.337 -0.060 4.348 1036 HD21 LEU 128 3HD2 LEU 128 -10.387 -1.109 3.057 1037 HD22 LEU 128 1HD2 LEU 128 -9.591 -2.666 3.289 1038 HD23 LEU 128 2HD2 LEU 128 -10.030 -2.133 1.666 1039 H THR 129 H THR 129 -5.860 -1.351 -0.643 1040 HA THR 129 HA THR 129 -7.955 -2.679 -2.239 1041 HB THR 129 HB THR 129 -4.960 -2.484 -2.564 1042 HG1 THR 129 1HG THR 129 -6.171 -1.909 -4.748 1043 HG21 THR 129 3HG2 THR 129 -6.925 -4.440 -3.652 1044 HG22 THR 129 1HG2 THR 129 -5.207 -4.645 -3.309 1045 HG23 THR 129 2HG2 THR 129 -5.720 -3.803 -4.770 1046 H TYR 130 H TYR 130 -4.854 -3.644 -0.739 1047 HA TYR 130 HA TYR 130 -6.243 -5.972 0.428 1048 HB2 TYR 130 2HB TYR 130 -4.862 -6.454 -1.724 1049 HB3 TYR 130 1HB TYR 130 -3.459 -6.226 -0.679 1050 HD1 TYR 130 1HD TYR 130 -3.263 -7.617 1.438 1051 HD2 TYR 130 2HD TYR 130 -6.140 -8.457 -1.639 1052 HE1 TYR 130 1HE TYR 130 -3.564 -9.906 2.344 1053 HE2 TYR 130 2HE TYR 130 -6.440 -10.746 -0.733 1054 HH TYR 130 HH TYR 130 -6.087 -12.028 1.171 1055 H ASN 131 H ASN 131 -6.020 -5.876 2.558 1056 HA ASN 131 HA ASN 131 -3.834 -4.345 3.737 1057 HB2 ASN 131 2HB ASN 131 -5.078 -4.317 5.704 1058 HB3 ASN 131 1HB ASN 131 -6.337 -4.339 4.471 1059 HD21 ASN 131 1HD2 ASN 131 -5.158 -5.975 7.243 1060 HD22 ASN 131 2HD2 ASN 131 -6.100 -7.379 7.095 1061 H LEU 132 H LEU 132 -1.949 -5.365 3.960 1062 HA LEU 132 HA LEU 132 -1.737 -8.219 4.189 1063 HB2 LEU 132 2HB LEU 132 -0.041 -6.664 3.125 1064 HB3 LEU 132 1HB LEU 132 0.419 -6.187 4.757 1065 HG LEU 132 HG LEU 132 0.348 -8.979 4.858 1066 HD11 LEU 132 1HD1 LEU 132 1.418 -7.981 2.217 1067 HD12 LEU 132 2HD1 LEU 132 0.297 -9.307 2.512 1068 HD13 LEU 132 3HD1 LEU 132 1.998 -9.479 2.939 1069 HD21 LEU 132 3HD2 LEU 132 2.667 -8.780 5.321 1070 HD22 LEU 132 1HD2 LEU 132 1.988 -7.235 5.823 1071 HD23 LEU 132 2HD2 LEU 132 2.840 -7.366 4.284 1072 H ARG 133 H ARG 133 -2.149 -9.306 5.994 1073 HA ARG 133 HA ARG 133 -1.820 -7.966 8.594 1074 HB2 ARG 133 2HB ARG 133 -3.528 -9.251 9.406 1075 HB3 ARG 133 1HB ARG 133 -3.982 -9.263 7.703 1076 HG2 ARG 133 2HG ARG 133 -2.636 -11.386 7.447 1077 HG3 ARG 133 1HG ARG 133 -2.444 -11.399 9.200 1078 HD2 ARG 133 2HD ARG 133 -4.342 -12.805 8.498 1079 HD3 ARG 133 1HD ARG 133 -4.861 -11.451 9.495 1080 HE ARG 133 HE ARG 133 -6.032 -10.630 7.667 1081 HH11 ARG 133 1HH2 ARG 133 -3.681 -12.974 6.689 1082 HH12 ARG 133 2HH2 ARG 133 -4.210 -13.020 5.040 1083 HH21 ARG 133 1HH1 ARG 133 -6.727 -10.681 5.506 1084 HH22 ARG 133 2HH1 ARG 133 -5.934 -11.721 4.370 1085 H GLU 134 H GLU 134 -0.780 -9.055 10.332 1086 HA GLU 134 HA GLU 134 1.501 -10.626 9.471 1087 HB2 GLU 134 2HB GLU 134 2.449 -10.123 11.523 1088 HB3 GLU 134 1HB GLU 134 1.372 -8.742 11.312 1089 HG2 GLU 134 2HG GLU 134 -0.382 -10.295 12.511 1090 HG3 GLU 134 1HG GLU 134 1.054 -11.135 13.096 1091 H GLY 135 H GLY 135 2.048 -12.687 10.232 1092 HA2 GLY 135 2HA GLY 135 1.680 -14.766 11.248 1093 HA3 GLY 135 1HA GLY 135 0.082 -14.218 11.746 Start of MODEL 20 1 H1 MET 1 H MET 1 -13.540 4.950 -19.940 2 HA MET 1 HA MET 1 -14.369 7.537 -18.904 3 HB2 MET 1 2HB MET 1 -14.534 6.339 -16.741 4 HB3 MET 1 1HB MET 1 -15.426 5.520 -18.024 5 HG2 MET 1 2HG MET 1 -12.605 4.689 -17.781 6 HG3 MET 1 1HG MET 1 -13.607 4.291 -16.385 7 HE1 MET 1 3HE MET 1 -12.946 1.213 -18.408 8 HE2 MET 1 1HE MET 1 -13.987 1.228 -16.978 9 HE3 MET 1 2HE MET 1 -12.559 2.258 -17.044 10 H ASN 2 H ASN 2 -13.245 7.685 -16.445 11 HA ASN 2 HA ASN 2 -10.380 7.411 -16.535 12 HB2 ASN 2 2HB ASN 2 -10.920 9.464 -17.969 13 HB3 ASN 2 1HB ASN 2 -11.425 10.237 -16.468 14 HD21 ASN 2 1HD2 ASN 2 -9.767 11.454 -15.570 15 HD22 ASN 2 2HD2 ASN 2 -8.116 11.071 -15.658 16 H LYS 3 H LYS 3 -9.421 7.749 -14.531 17 HA LYS 3 HA LYS 3 -11.318 7.977 -12.292 18 HB2 LYS 3 2HB LYS 3 -9.099 7.188 -11.066 19 HB3 LYS 3 1HB LYS 3 -10.131 6.035 -11.912 20 HG2 LYS 3 2HG LYS 3 -8.671 5.827 -13.701 21 HG3 LYS 3 1HG LYS 3 -7.991 7.437 -13.468 22 HD2 LYS 3 2HD LYS 3 -6.863 6.651 -11.406 23 HD3 LYS 3 1HD LYS 3 -7.512 5.034 -11.680 24 HE2 LYS 3 2HE LYS 3 -5.451 6.532 -13.285 25 HE3 LYS 3 1HE LYS 3 -5.366 4.897 -12.628 26 HZ1 LYS 3 3HZ LYS 3 -7.002 4.175 -14.205 27 HZ2 LYS 3 1HZ LYS 3 -5.744 4.946 -15.042 28 HZ3 LYS 3 2HZ LYS 3 -7.216 5.756 -14.786 29 H GLU 4 H GLU 4 -10.899 9.358 -10.530 30 HA GLU 4 HA GLU 4 -9.866 11.901 -11.171 31 HB2 GLU 4 2HB GLU 4 -10.430 10.632 -8.482 32 HB3 GLU 4 1HB GLU 4 -10.068 12.342 -8.722 33 HG2 GLU 4 2HG GLU 4 -12.160 12.779 -9.444 34 HG3 GLU 4 1HG GLU 4 -12.145 11.399 -10.540 35 H LEU 5 H LEU 5 -8.004 12.991 -10.325 36 HA LEU 5 HA LEU 5 -5.627 11.473 -10.506 37 HB2 LEU 5 2HB LEU 5 -6.321 14.213 -10.451 38 HB3 LEU 5 1HB LEU 5 -5.193 13.966 -9.121 39 HG LEU 5 HG LEU 5 -3.816 14.453 -10.966 40 HD11 LEU 5 1HD1 LEU 5 -3.615 12.030 -9.741 41 HD12 LEU 5 2HD1 LEU 5 -2.417 12.685 -10.855 42 HD13 LEU 5 3HD1 LEU 5 -3.644 11.560 -11.438 43 HD21 LEU 5 3HD2 LEU 5 -5.254 12.390 -12.645 44 HD22 LEU 5 1HD2 LEU 5 -4.132 13.639 -13.188 45 HD23 LEU 5 2HD2 LEU 5 -5.741 14.085 -12.619 46 H LEU 6 H LEU 6 -7.711 12.245 -7.845 47 HA LEU 6 HA LEU 6 -5.923 12.172 -5.723 48 HB2 LEU 6 2HB LEU 6 -7.726 11.541 -4.280 49 HB3 LEU 6 1HB LEU 6 -8.337 12.693 -5.478 50 HG LEU 6 HG LEU 6 -8.935 10.551 -6.867 51 HD11 LEU 6 1HD1 LEU 6 -8.169 8.694 -5.758 52 HD12 LEU 6 2HD1 LEU 6 -9.723 8.839 -4.940 53 HD13 LEU 6 3HD1 LEU 6 -8.266 9.465 -4.174 54 HD21 LEU 6 3HD2 LEU 6 -10.366 11.695 -4.485 55 HD22 LEU 6 1HD2 LEU 6 -11.087 10.353 -5.373 56 HD23 LEU 6 2HD2 LEU 6 -10.741 11.872 -6.198 57 H GLN 7 H GLN 7 -5.673 9.955 -7.950 58 HA GLN 7 HA GLN 7 -5.955 7.495 -6.582 59 HB2 GLN 7 2HB GLN 7 -4.504 6.555 -8.255 60 HB3 GLN 7 1HB GLN 7 -5.493 7.764 -9.067 61 HG2 GLN 7 2HG GLN 7 -3.285 9.215 -8.175 62 HG3 GLN 7 1HG GLN 7 -2.603 7.676 -8.698 63 HE21 GLN 7 1HE2 GLN 7 -5.035 7.480 -10.653 64 HE22 GLN 7 2HE2 GLN 7 -4.555 8.461 -11.951 65 H LEU 8 H LEU 8 -3.726 10.117 -6.596 66 HA LEU 8 HA LEU 8 -2.231 8.849 -4.386 67 HB2 LEU 8 2HB LEU 8 -1.332 10.503 -6.700 68 HB3 LEU 8 1HB LEU 8 -0.579 10.858 -5.149 69 HG LEU 8 HG LEU 8 -0.199 8.285 -4.996 70 HD11 LEU 8 1HD1 LEU 8 -0.842 8.684 -7.920 71 HD12 LEU 8 2HD1 LEU 8 -1.583 7.542 -6.795 72 HD13 LEU 8 3HD1 LEU 8 0.083 7.307 -7.320 73 HD21 LEU 8 3HD2 LEU 8 1.828 8.534 -6.564 74 HD22 LEU 8 1HD2 LEU 8 1.697 9.705 -5.252 75 HD23 LEU 8 2HD2 LEU 8 1.228 10.160 -6.889 76 HA PRO 9 HA PRO 9 -4.954 12.321 -3.000 77 HB2 PRO 9 2HB PRO 9 -5.420 11.334 -0.489 78 HB3 PRO 9 1HB PRO 9 -6.347 10.911 -1.934 79 HG2 PRO 9 2HG PRO 9 -4.219 9.391 -0.546 80 HG3 PRO 9 1HG PRO 9 -5.679 8.808 -1.360 81 HD2 PRO 9 2HD PRO 9 -3.162 8.699 -2.463 82 HD3 PRO 9 1HD PRO 9 -4.658 8.743 -3.422 83 H LEU 10 H LEU 10 -2.665 10.926 -0.634 84 HA LEU 10 HA LEU 10 -2.416 13.202 0.937 85 HB2 LEU 10 2HB LEU 10 -0.073 12.376 1.442 86 HB3 LEU 10 1HB LEU 10 -1.450 11.370 1.920 87 HG LEU 10 HG LEU 10 -0.881 10.620 -0.719 88 HD11 LEU 10 1HD1 LEU 10 1.262 11.924 -0.398 89 HD12 LEU 10 2HD1 LEU 10 1.490 10.201 -0.765 90 HD13 LEU 10 3HD1 LEU 10 1.680 10.776 0.888 91 HD21 LEU 10 3HD2 LEU 10 -1.594 9.020 0.849 92 HD22 LEU 10 1HD2 LEU 10 -0.356 9.474 2.018 93 HD23 LEU 10 2HD2 LEU 10 0.091 8.576 0.563 94 H PHE 11 H PHE 11 -0.361 12.201 -1.711 95 HA PHE 11 HA PHE 11 1.007 14.719 -1.526 96 HB2 PHE 11 2HB PHE 11 2.262 13.638 -3.567 97 HB3 PHE 11 1HB PHE 11 2.714 13.409 -1.896 98 HD1 PHE 11 1HD PHE 11 -0.356 11.826 -3.115 99 HD2 PHE 11 2HD PHE 11 3.850 11.328 -2.478 100 HE1 PHE 11 1HE PHE 11 -0.625 9.380 -3.219 101 HE2 PHE 11 2HE PHE 11 3.586 8.868 -2.627 102 HZ PHE 11 HZ PHE 11 1.338 7.890 -3.000 103 H GLU 12 H GLU 12 -0.568 12.990 -4.259 104 HA GLU 12 HA GLU 12 -0.334 15.054 -6.095 105 HB2 GLU 12 2HB GLU 12 -1.438 12.621 -6.228 106 HB3 GLU 12 1HB GLU 12 -2.909 13.575 -6.059 107 HG2 GLU 12 2HG GLU 12 -2.337 13.261 -8.424 108 HG3 GLU 12 1HG GLU 12 -2.274 14.954 -7.952 109 H SER 13 H SER 13 -2.143 14.993 -3.208 110 HA SER 13 HA SER 13 -3.806 17.255 -4.117 111 HB2 SER 13 2HB SER 13 -4.690 15.042 -2.915 112 HB3 SER 13 1HB SER 13 -4.279 15.972 -1.476 113 HG SER 13 HG SER 13 -5.636 17.296 -3.512 114 H ALA 14 H ALA 14 -0.871 16.989 -2.900 115 HA ALA 14 HA ALA 14 -1.239 19.082 -0.846 116 HB1 ALA 14 1HB ALA 14 1.401 17.785 -1.114 117 HB2 ALA 14 2HB ALA 14 0.098 16.719 -0.578 118 HB3 ALA 14 3HB ALA 14 0.475 18.176 0.340 119 H SER 15 H SER 15 0.391 20.776 -0.808 120 HA SER 15 HA SER 15 0.881 21.897 -3.356 121 HB2 SER 15 2HB SER 15 1.073 22.811 -0.760 122 HB3 SER 15 1HB SER 15 2.765 22.677 -1.231 123 HG SER 15 HG SER 15 2.173 23.879 -3.140 124 H ARG 16 H ARG 16 2.765 21.843 -4.629 125 HA ARG 16 HA ARG 16 4.159 19.492 -4.781 126 HB2 ARG 16 2HB ARG 16 4.498 22.184 -5.855 127 HB3 ARG 16 1HB ARG 16 6.052 21.405 -5.561 128 HG2 ARG 16 2HG ARG 16 3.894 19.820 -6.912 129 HG3 ARG 16 1HG ARG 16 4.771 21.029 -7.851 130 HD2 ARG 16 2HD ARG 16 6.375 19.172 -6.152 131 HD3 ARG 16 1HD ARG 16 5.661 18.521 -7.624 132 HE ARG 16 HE ARG 16 6.937 20.956 -8.250 133 HH11 ARG 16 1HH2 ARG 16 7.639 17.730 -7.206 134 HH12 ARG 16 2HH2 ARG 16 9.204 17.683 -7.947 135 HH21 ARG 16 1HH1 ARG 16 8.988 20.900 -9.222 136 HH22 ARG 16 2HH1 ARG 16 9.968 19.479 -9.087 137 H GLY 17 H GLY 17 4.417 21.965 -2.456 138 HA2 GLY 17 2HA GLY 17 7.060 21.678 -1.558 139 HA3 GLY 17 1HA GLY 17 5.700 22.197 -0.564 140 H CYS 18 H CYS 18 4.074 19.901 -0.647 141 HA CYS 18 HA CYS 18 5.433 18.241 1.267 142 HB2 CYS 18 2HB CYS 18 2.744 18.648 0.437 143 HB3 CYS 18 1HB CYS 18 3.107 16.939 0.169 144 HG CYS 18 HG CYS 18 3.172 18.375 2.931 145 H LEU 19 H LEU 19 4.417 17.839 -2.126 146 HA LEU 19 HA LEU 19 5.240 15.195 -2.435 147 HB2 LEU 19 2HB LEU 19 4.041 16.504 -4.180 148 HB3 LEU 19 1HB LEU 19 5.538 17.388 -4.504 149 HG LEU 19 HG LEU 19 6.562 14.974 -4.745 150 HD11 LEU 19 1HD1 LEU 19 4.327 13.972 -3.971 151 HD12 LEU 19 2HD1 LEU 19 5.038 13.274 -5.430 152 HD13 LEU 19 3HD1 LEU 19 3.703 14.419 -5.561 153 HD21 LEU 19 3HD2 LEU 19 6.643 16.308 -6.662 154 HD22 LEU 19 1HD2 LEU 19 4.894 16.537 -6.698 155 HD23 LEU 19 2HD2 LEU 19 5.593 14.996 -7.196 156 H ARG 20 H ARG 20 7.068 18.164 -2.252 157 HA ARG 20 HA ARG 20 9.595 17.050 -3.041 158 HB2 ARG 20 2HB ARG 20 9.665 19.350 -3.222 159 HB3 ARG 20 1HB ARG 20 8.649 19.605 -1.813 160 HG2 ARG 20 2HG ARG 20 11.450 18.516 -1.578 161 HG3 ARG 20 1HG ARG 20 11.093 20.241 -1.573 162 HD2 ARG 20 2HD ARG 20 9.265 19.101 0.231 163 HD3 ARG 20 1HD ARG 20 10.809 18.330 0.576 164 HE ARG 20 HE ARG 20 11.005 21.197 0.305 165 HH11 ARG 20 1HH2 ARG 20 10.271 18.537 2.393 166 HH12 ARG 20 2HH2 ARG 20 10.643 19.398 3.849 167 HH21 ARG 20 1HH1 ARG 20 11.492 22.334 2.213 168 HH22 ARG 20 2HH1 ARG 20 11.334 21.546 3.747 169 H SER 21 H SER 21 7.762 17.413 -0.109 170 HA SER 21 HA SER 21 9.748 16.711 1.810 171 HB2 SER 21 2HB SER 21 7.964 16.714 3.308 172 HB3 SER 21 1HB SER 21 7.431 17.822 2.059 173 HG SER 21 HG SER 21 5.754 16.500 2.151 174 H LEU 22 H LEU 22 7.136 14.796 0.317 175 HA LEU 22 HA LEU 22 7.982 12.324 1.387 176 HB2 LEU 22 2HB LEU 22 6.023 13.254 -0.523 177 HB3 LEU 22 1HB LEU 22 6.835 11.805 -1.124 178 HG LEU 22 HG LEU 22 6.394 10.682 1.040 179 HD11 LEU 22 1HD1 LEU 22 5.405 11.718 2.799 180 HD12 LEU 22 2HD1 LEU 22 4.390 12.734 1.783 181 HD13 LEU 22 3HD1 LEU 22 6.076 13.172 2.061 182 HD21 LEU 22 3HD2 LEU 22 3.925 10.524 0.745 183 HD22 LEU 22 1HD2 LEU 22 4.823 10.351 -0.766 184 HD23 LEU 22 2HD2 LEU 22 4.017 11.879 -0.376 185 H SER 23 H SER 23 8.753 14.065 -1.596 186 HA SER 23 HA SER 23 10.282 12.033 -2.752 187 HB2 SER 23 2HB SER 23 9.867 13.500 -4.365 188 HB3 SER 23 1HB SER 23 9.886 14.883 -3.262 189 HG SER 23 HG SER 23 11.714 14.517 -4.870 190 H LEU 24 H LEU 24 11.041 14.366 -0.307 191 HA LEU 24 HA LEU 24 13.849 14.201 -0.417 192 HB2 LEU 24 2HB LEU 24 11.859 15.188 1.426 193 HB3 LEU 24 1HB LEU 24 13.146 14.345 2.289 194 HG LEU 24 HG LEU 24 13.578 16.795 1.886 195 HD11 LEU 24 1HD1 LEU 24 15.295 14.688 1.917 196 HD12 LEU 24 2HD1 LEU 24 15.817 16.372 1.843 197 HD13 LEU 24 3HD1 LEU 24 15.704 15.419 0.363 198 HD21 LEU 24 3HD2 LEU 24 13.409 17.668 -0.184 199 HD22 LEU 24 1HD2 LEU 24 12.784 16.113 -0.728 200 HD23 LEU 24 2HD2 LEU 24 14.510 16.452 -0.830 201 H ILE 25 H ILE 25 11.350 12.071 0.820 202 HA ILE 25 HA ILE 25 13.468 10.111 1.498 203 HB ILE 25 HB ILE 25 12.088 11.050 3.458 204 HG12 ILE 25 2HG1 ILE 25 11.676 8.277 3.842 205 HG13 ILE 25 1HG1 ILE 25 13.040 8.406 2.770 206 HG21 ILE 25 1HG2 ILE 25 10.147 8.934 2.908 207 HG22 ILE 25 2HG2 ILE 25 9.975 10.330 1.834 208 HG23 ILE 25 3HG2 ILE 25 9.869 10.537 3.587 209 HD11 ILE 25 3HD1 ILE 25 14.054 8.537 4.886 210 HD12 ILE 25 1HD1 ILE 25 12.718 9.477 5.561 211 HD13 ILE 25 2HD1 ILE 25 13.870 10.238 4.456 212 H ILE 26 H ILE 26 11.822 10.514 -1.043 213 HA ILE 26 HA ILE 26 9.956 8.448 -1.277 214 HB ILE 26 HB ILE 26 11.384 10.321 -3.009 215 HG12 ILE 26 2HG1 ILE 26 8.952 10.407 -2.217 216 HG13 ILE 26 1HG1 ILE 26 9.222 10.652 -3.945 217 HG21 ILE 26 1HG2 ILE 26 10.602 7.642 -3.999 218 HG22 ILE 26 2HG2 ILE 26 12.147 8.445 -4.212 219 HG23 ILE 26 3HG2 ILE 26 10.717 9.020 -5.076 220 HD11 ILE 26 3HD1 ILE 26 7.528 8.783 -2.821 221 HD12 ILE 26 1HD1 ILE 26 8.952 7.856 -3.288 222 HD13 ILE 26 2HD1 ILE 26 8.097 8.825 -4.491 223 H LYS 27 H LYS 27 10.156 6.303 -1.618 224 HA LYS 27 HA LYS 27 12.860 5.292 -2.307 225 HB2 LYS 27 2HB LYS 27 10.844 3.853 -0.572 226 HB3 LYS 27 1HB LYS 27 12.490 3.346 -0.932 227 HG2 LYS 27 2HG LYS 27 12.357 6.068 0.142 228 HG3 LYS 27 1HG LYS 27 11.727 4.858 1.260 229 HD2 LYS 27 2HD LYS 27 13.770 3.595 1.176 230 HD3 LYS 27 1HD LYS 27 14.383 4.566 -0.162 231 HE2 LYS 27 2HE LYS 27 13.710 5.757 2.535 232 HE3 LYS 27 1HE LYS 27 15.316 5.148 2.140 233 HZ1 LYS 27 3HZ LYS 27 14.044 6.999 0.265 234 HZ2 LYS 27 1HZ LYS 27 15.685 6.804 0.648 235 HZ3 LYS 27 2HZ LYS 27 14.658 7.636 1.716 236 H THR 28 H THR 28 12.940 3.453 -3.687 237 HA THR 28 HA THR 28 10.396 2.870 -5.080 238 HB THR 28 HB THR 28 11.676 2.740 -7.188 239 HG1 THR 28 1HG THR 28 13.778 3.733 -5.563 240 HG21 THR 28 3HG2 THR 28 12.520 5.376 -6.716 241 HG22 THR 28 1HG2 THR 28 11.164 5.124 -5.617 242 HG23 THR 28 2HG2 THR 28 10.955 4.866 -7.349 243 H SER 29 H SER 29 9.919 0.783 -5.376 244 HA SER 29 HA SER 29 12.034 -1.238 -4.918 245 HB2 SER 29 2HB SER 29 10.063 -2.661 -4.042 246 HB3 SER 29 1HB SER 29 10.688 -1.400 -2.979 247 HG SER 29 HG SER 29 8.582 -0.967 -2.990 248 H PHE 30 H PHE 30 11.952 -3.088 -6.257 249 HA PHE 30 HA PHE 30 9.892 -3.042 -8.376 250 HB2 PHE 30 2HB PHE 30 11.704 -3.694 -9.994 251 HB3 PHE 30 1HB PHE 30 11.827 -2.048 -9.381 252 HD1 PHE 30 1HD PHE 30 13.161 -5.481 -9.068 253 HD2 PHE 30 2HD PHE 30 13.657 -1.359 -7.984 254 HE1 PHE 30 1HE PHE 30 15.424 -5.988 -8.183 255 HE2 PHE 30 2HE PHE 30 15.918 -1.861 -7.099 256 HZ PHE 30 HZ PHE 30 16.801 -4.178 -7.197 257 H CYS 31 H CYS 31 9.312 -5.021 -9.261 258 HA CYS 31 HA CYS 31 10.538 -7.432 -8.084 259 HB2 CYS 31 2HB CYS 31 7.554 -7.100 -8.421 260 HB3 CYS 31 1HB CYS 31 8.413 -8.443 -7.657 261 HG CYS 31 HG CYS 31 9.169 -5.954 -6.196 262 H ALA 32 H ALA 32 10.334 -9.326 -9.354 263 HA ALA 32 HA ALA 32 9.748 -8.789 -12.200 264 HB1 ALA 32 1HB ALA 32 11.397 -11.027 -12.083 265 HB2 ALA 32 2HB ALA 32 12.031 -9.966 -10.827 266 HB3 ALA 32 3HB ALA 32 11.903 -9.386 -12.488 267 HA PRO 33 HA PRO 33 6.919 -12.184 -12.397 268 HB2 PRO 33 2HB PRO 33 8.532 -13.652 -14.396 269 HB3 PRO 33 1HB PRO 33 6.903 -12.971 -14.551 270 HG2 PRO 33 2HG PRO 33 9.039 -11.901 -15.776 271 HG3 PRO 33 1HG PRO 33 7.674 -10.928 -15.207 272 HD2 PRO 33 2HD PRO 33 10.399 -11.234 -14.010 273 HD3 PRO 33 1HD PRO 33 9.328 -9.815 -14.041 274 H GLY 34 H GLY 34 6.731 -13.766 -10.885 275 HA2 GLY 34 2HA GLY 34 7.209 -15.648 -9.630 276 HA3 GLY 34 1HA GLY 34 8.513 -16.002 -10.762 277 H GLU 35 H GLU 35 8.857 -12.859 -9.755 278 HA GLU 35 HA GLU 35 11.189 -13.464 -8.194 279 HB2 GLU 35 2HB GLU 35 10.595 -11.388 -9.733 280 HB3 GLU 35 1HB GLU 35 10.057 -10.745 -8.189 281 HG2 GLU 35 2HG GLU 35 12.266 -10.121 -8.096 282 HG3 GLU 35 1HG GLU 35 12.361 -11.719 -7.369 283 H PHE 36 H PHE 36 11.369 -13.699 -6.064 284 HA PHE 36 HA PHE 36 8.991 -13.341 -4.403 285 HB2 PHE 36 2HB PHE 36 11.592 -14.369 -3.347 286 HB3 PHE 36 1HB PHE 36 9.945 -14.837 -2.921 287 HD1 PHE 36 2HD PHE 36 12.448 -14.973 -5.690 288 HD2 PHE 36 1HD PHE 36 8.901 -16.679 -3.971 289 HE1 PHE 36 2HE PHE 36 12.557 -16.840 -7.319 290 HE2 PHE 36 1HE PHE 36 9.010 -18.546 -5.599 291 HZ PHE 36 HZ PHE 36 10.837 -18.627 -7.274 292 H LEU 37 H LEU 37 8.674 -11.417 -3.485 293 HA LEU 37 HA LEU 37 10.964 -9.705 -2.853 294 HB2 LEU 37 2HB LEU 37 9.039 -8.717 -4.019 295 HB3 LEU 37 1HB LEU 37 7.996 -9.172 -2.676 296 HG LEU 37 HG LEU 37 10.027 -7.823 -1.398 297 HD11 LEU 37 1HD1 LEU 37 9.312 -6.081 -3.738 298 HD12 LEU 37 2HD1 LEU 37 10.667 -7.202 -3.878 299 HD13 LEU 37 3HD1 LEU 37 10.681 -5.954 -2.632 300 HD21 LEU 37 3HD2 LEU 37 8.250 -5.892 -1.533 301 HD22 LEU 37 1HD2 LEU 37 7.813 -7.409 -0.745 302 HD23 LEU 37 2HD2 LEU 37 7.284 -7.090 -2.397 303 H ILE 38 H ILE 38 8.071 -11.023 -1.154 304 HA ILE 38 HA ILE 38 9.563 -10.655 1.339 305 HB ILE 38 HB ILE 38 7.058 -9.666 0.715 306 HG12 ILE 38 2HG1 ILE 38 7.257 -9.953 3.548 307 HG13 ILE 38 1HG1 ILE 38 8.875 -9.632 2.931 308 HG21 ILE 38 1HG2 ILE 38 6.817 -12.009 2.586 309 HG22 ILE 38 2HG2 ILE 38 6.120 -11.914 0.978 310 HG23 ILE 38 3HG2 ILE 38 5.542 -10.845 2.241 311 HD11 ILE 38 3HD1 ILE 38 6.409 -7.932 2.717 312 HD12 ILE 38 1HD1 ILE 38 7.661 -7.815 1.470 313 HD13 ILE 38 2HD1 ILE 38 8.054 -7.464 3.160 314 H ARG 39 H ARG 39 9.682 -12.246 2.848 315 HA ARG 39 HA ARG 39 8.570 -14.868 2.083 316 HB2 ARG 39 2HB ARG 39 10.967 -15.375 3.465 317 HB3 ARG 39 1HB ARG 39 10.637 -15.649 1.763 318 HG2 ARG 39 2HG ARG 39 12.653 -14.231 2.137 319 HG3 ARG 39 1HG ARG 39 11.402 -13.436 1.180 320 HD2 ARG 39 2HD ARG 39 11.371 -11.765 2.676 321 HD3 ARG 39 1HD ARG 39 10.792 -12.911 3.877 322 HE ARG 39 HE ARG 39 13.643 -12.265 3.415 323 HH11 ARG 39 1HH2 ARG 39 11.029 -13.410 5.399 324 HH12 ARG 39 2HH2 ARG 39 12.002 -13.548 6.823 325 HH21 ARG 39 1HH1 ARG 39 14.905 -12.452 5.285 326 HH22 ARG 39 2HH1 ARG 39 14.188 -13.010 6.760 327 H GLN 40 H GLN 40 7.064 -15.128 3.551 328 HA GLN 40 HA GLN 40 6.160 -14.382 5.763 329 HB2 GLN 40 2HB GLN 40 5.485 -16.563 5.354 330 HB3 GLN 40 1HB GLN 40 7.136 -17.173 5.297 331 HG2 GLN 40 2HG GLN 40 7.374 -16.952 7.694 332 HG3 GLN 40 1HG GLN 40 5.821 -16.129 7.818 333 HE21 GLN 40 1HE2 GLN 40 3.853 -17.445 7.460 334 HE22 GLN 40 2HE2 GLN 40 3.919 -19.136 7.593 335 H GLY 41 H GLY 41 6.758 -13.438 7.594 336 HA2 GLY 41 2HA GLY 41 7.896 -13.445 9.699 337 HA3 GLY 41 1HA GLY 41 9.227 -14.295 8.935 338 H ASP 42 H ASP 42 8.144 -11.830 6.917 339 HA ASP 42 HA ASP 42 10.562 -10.324 7.355 340 HB2 ASP 42 2HB ASP 42 8.184 -9.762 5.576 341 HB3 ASP 42 1HB ASP 42 9.686 -8.843 5.573 342 H ALA 43 H ALA 43 10.301 -7.827 7.331 343 HA ALA 43 HA ALA 43 8.467 -7.105 9.535 344 HB1 ALA 43 1HB ALA 43 11.273 -6.252 8.887 345 HB2 ALA 43 2HB ALA 43 10.628 -6.862 10.411 346 HB3 ALA 43 3HB ALA 43 10.228 -5.231 9.873 347 H LEU 44 H LEU 44 6.758 -6.209 8.498 348 HA LEU 44 HA LEU 44 7.023 -4.575 6.156 349 HB2 LEU 44 2HB LEU 44 5.024 -5.899 6.517 350 HB3 LEU 44 1HB LEU 44 4.676 -5.009 8.002 351 HG LEU 44 HG LEU 44 4.341 -2.962 6.779 352 HD11 LEU 44 1HD1 LEU 44 5.554 -4.563 4.536 353 HD12 LEU 44 2HD1 LEU 44 5.996 -2.951 5.103 354 HD13 LEU 44 3HD1 LEU 44 4.511 -3.186 4.178 355 HD21 LEU 44 3HD2 LEU 44 2.556 -3.698 5.157 356 HD22 LEU 44 1HD2 LEU 44 2.412 -4.410 6.763 357 HD23 LEU 44 2HD2 LEU 44 3.081 -5.357 5.433 358 H GLN 45 H GLN 45 7.827 -2.574 6.213 359 HA GLN 45 HA GLN 45 7.059 -0.829 8.475 360 HB2 GLN 45 2HB GLN 45 9.723 -1.218 7.147 361 HB3 GLN 45 1HB GLN 45 9.327 0.316 7.921 362 HG2 GLN 45 2HG GLN 45 8.900 -0.796 10.034 363 HG3 GLN 45 1HG GLN 45 9.105 -2.380 9.286 364 HE21 GLN 45 1HE2 GLN 45 10.710 -0.675 11.417 365 HE22 GLN 45 2HE2 GLN 45 12.313 -0.864 10.894 366 H ALA 46 H ALA 46 7.824 -1.070 5.036 367 HA ALA 46 HA ALA 46 6.842 1.682 4.634 368 HB1 ALA 46 1HB ALA 46 8.428 -0.160 2.835 369 HB2 ALA 46 2HB ALA 46 9.020 1.280 3.664 370 HB3 ALA 46 3HB ALA 46 7.846 1.431 2.357 371 H ILE 47 H ILE 47 5.536 2.065 2.680 372 HA ILE 47 HA ILE 47 3.582 -0.118 2.246 373 HB ILE 47 HB ILE 47 2.408 1.678 3.248 374 HG12 ILE 47 2HG1 ILE 47 2.176 2.112 0.250 375 HG13 ILE 47 1HG1 ILE 47 1.370 0.825 1.145 376 HG21 ILE 47 1HG2 ILE 47 3.647 3.617 1.288 377 HG22 ILE 47 2HG2 ILE 47 4.370 3.285 2.864 378 HG23 ILE 47 3HG2 ILE 47 2.752 3.983 2.767 379 HD11 ILE 47 3HD1 ILE 47 0.965 3.479 2.321 380 HD12 ILE 47 1HD1 ILE 47 -0.217 2.226 1.944 381 HD13 ILE 47 2HD1 ILE 47 0.322 3.337 0.685 382 H TYR 48 H TYR 48 3.095 -0.719 0.150 383 HA TYR 48 HA TYR 48 4.719 0.605 -1.947 384 HB2 TYR 48 2HB TYR 48 3.681 -2.225 -2.046 385 HB3 TYR 48 1HB TYR 48 4.851 -1.469 -3.116 386 HD1 TYR 48 1HD TYR 48 4.446 -1.972 0.609 387 HD2 TYR 48 2HD TYR 48 7.048 -2.069 -2.804 388 HE1 TYR 48 1HE TYR 48 6.296 -2.757 2.049 389 HE2 TYR 48 2HE TYR 48 8.903 -2.856 -1.361 390 HH TYR 48 HH TYR 48 8.925 -4.219 1.021 391 H PHE 49 H PHE 49 3.921 0.739 -4.028 392 HA PHE 49 HA PHE 49 1.020 0.393 -4.447 393 HB2 PHE 49 2HB PHE 49 2.209 2.909 -4.189 394 HB3 PHE 49 1HB PHE 49 2.163 2.632 -5.929 395 HD1 PHE 49 1HD PHE 49 -0.147 1.743 -6.925 396 HD2 PHE 49 2HD PHE 49 0.314 3.701 -3.109 397 HE1 PHE 49 1HE PHE 49 -2.546 2.347 -6.928 398 HE2 PHE 49 2HE PHE 49 -2.096 4.281 -3.122 399 HZ PHE 49 HZ PHE 49 -3.523 3.604 -5.032 400 H VAL 50 H VAL 50 0.619 -0.565 -6.406 401 HA VAL 50 HA VAL 50 2.934 -1.047 -8.125 402 HB VAL 50 HB VAL 50 0.683 -2.576 -7.175 403 HG11 VAL 50 1HG1 VAL 50 -0.106 -2.014 -9.433 404 HG12 VAL 50 2HG1 VAL 50 0.161 -3.737 -9.231 405 HG13 VAL 50 3HG1 VAL 50 1.328 -2.752 -10.121 406 HG21 VAL 50 3HG2 VAL 50 2.200 -4.444 -8.009 407 HG22 VAL 50 1HG2 VAL 50 2.923 -3.347 -6.831 408 HG23 VAL 50 2HG2 VAL 50 3.312 -3.184 -8.544 409 H CYS 51 H CYS 51 3.012 -0.200 -10.143 410 HA CYS 51 HA CYS 51 0.744 1.501 -10.923 411 HB2 CYS 51 2HB CYS 51 3.154 2.365 -10.772 412 HB3 CYS 51 1HB CYS 51 3.456 1.436 -12.242 413 HG CYS 51 HG CYS 51 1.309 2.880 -13.225 414 H SER 52 H SER 52 2.716 -1.182 -12.041 415 HA SER 52 HA SER 52 0.650 -2.069 -13.827 416 HB2 SER 52 2HB SER 52 1.340 -0.945 -15.652 417 HB3 SER 52 1HB SER 52 2.825 -0.429 -14.861 418 HG SER 52 HG SER 52 2.384 -3.051 -15.846 419 H GLY 53 H GLY 53 0.835 -4.221 -14.218 420 HA2 GLY 53 2HA GLY 53 2.462 -6.103 -14.639 421 HA3 GLY 53 1HA GLY 53 3.257 -5.560 -13.164 422 H SER 54 H SER 54 2.872 -7.751 -12.330 423 HA SER 54 HA SER 54 0.287 -7.864 -10.966 424 HB2 SER 54 2HB SER 54 -0.366 -10.001 -11.764 425 HB3 SER 54 1HB SER 54 0.051 -9.067 -13.199 426 HG SER 54 HG SER 54 2.090 -10.493 -11.943 427 H MET 55 H MET 55 0.326 -8.993 -9.046 428 HA MET 55 HA MET 55 2.527 -10.745 -8.396 429 HB2 MET 55 2HB MET 55 3.285 -9.404 -6.437 430 HB3 MET 55 1HB MET 55 3.652 -8.646 -7.986 431 HG2 MET 55 2HG MET 55 2.585 -6.821 -7.257 432 HG3 MET 55 1HG MET 55 1.082 -7.739 -7.328 433 HE1 MET 55 3HE MET 55 3.268 -6.133 -3.768 434 HE2 MET 55 1HE MET 55 2.907 -5.452 -5.361 435 HE3 MET 55 2HE MET 55 4.151 -6.687 -5.188 436 H GLU 56 H GLU 56 2.376 -11.471 -6.042 437 HA GLU 56 HA GLU 56 -0.177 -11.144 -4.751 438 HB2 GLU 56 2HB GLU 56 -0.608 -13.709 -5.020 439 HB3 GLU 56 1HB GLU 56 -1.095 -12.602 -6.296 440 HG2 GLU 56 2HG GLU 56 0.078 -14.524 -7.258 441 HG3 GLU 56 1HG GLU 56 1.010 -13.052 -7.516 442 H VAL 57 H VAL 57 -0.384 -12.470 -2.794 443 HA VAL 57 HA VAL 57 2.242 -13.053 -1.623 444 HB VAL 57 HB VAL 57 1.392 -12.573 0.448 445 HG11 VAL 57 1HG1 VAL 57 -0.263 -11.022 -1.548 446 HG12 VAL 57 2HG1 VAL 57 1.220 -10.511 -0.746 447 HG13 VAL 57 3HG1 VAL 57 -0.275 -10.665 0.177 448 HG21 VAL 57 3HG2 VAL 57 -1.273 -13.407 -0.704 449 HG22 VAL 57 1HG2 VAL 57 -1.085 -12.688 0.889 450 HG23 VAL 57 2HG2 VAL 57 -0.325 -14.231 0.533 451 H LEU 58 H LEU 58 2.874 -15.109 -1.290 452 HA LEU 58 HA LEU 58 0.878 -17.239 -1.663 453 HB2 LEU 58 2HB LEU 58 2.758 -17.172 -3.277 454 HB3 LEU 58 1HB LEU 58 3.871 -17.398 -1.936 455 HG LEU 58 HG LEU 58 3.229 -19.509 -3.228 456 HD11 LEU 58 1HD1 LEU 58 3.881 -19.101 -0.589 457 HD12 LEU 58 2HD1 LEU 58 3.772 -20.679 -1.366 458 HD13 LEU 58 3HD1 LEU 58 2.401 -20.050 -0.456 459 HD21 LEU 58 3HD2 LEU 58 1.105 -20.475 -2.921 460 HD22 LEU 58 1HD2 LEU 58 0.732 -18.777 -3.205 461 HD23 LEU 58 2HD2 LEU 58 0.718 -19.421 -1.564 462 H LYS 59 H LYS 59 0.379 -18.597 -0.128 463 HA LYS 59 HA LYS 59 2.261 -19.475 1.824 464 HB2 LYS 59 2HB LYS 59 1.734 -17.474 3.000 465 HB3 LYS 59 1HB LYS 59 0.023 -17.661 2.711 466 HG2 LYS 59 2HG LYS 59 0.524 -18.325 5.003 467 HG3 LYS 59 1HG LYS 59 0.021 -19.734 4.077 468 HD2 LYS 59 2HD LYS 59 1.967 -20.297 5.445 469 HD3 LYS 59 1HD LYS 59 2.421 -20.338 3.748 470 HE2 LYS 59 2HE LYS 59 4.057 -19.150 5.288 471 HE3 LYS 59 1HE LYS 59 3.520 -18.205 3.898 472 HZ1 LYS 59 3HZ LYS 59 3.471 -17.118 6.195 473 HZ2 LYS 59 1HZ LYS 59 2.099 -18.071 6.485 474 HZ3 LYS 59 2HZ LYS 59 2.096 -16.946 5.210 475 H ASP 60 H ASP 60 1.642 -21.386 2.747 476 HA ASP 60 HA ASP 60 0.522 -23.369 2.935 477 HB2 ASP 60 2HB ASP 60 -1.754 -21.404 2.846 478 HB3 ASP 60 1HB ASP 60 -2.041 -23.138 2.974 479 H ASN 61 H ASN 61 1.411 -22.553 0.307 480 HA ASN 61 HA ASN 61 1.330 -23.575 -1.759 481 HB2 ASN 61 2HB ASN 61 0.108 -25.398 -0.298 482 HB3 ASN 61 1HB ASN 61 -1.305 -24.849 -1.198 483 HD21 ASN 61 1HD2 ASN 61 2.108 -25.860 -1.807 484 HD22 ASN 61 2HD2 ASN 61 1.763 -26.631 -3.280 485 H THR 62 H THR 62 -1.165 -21.534 -0.564 486 HA THR 62 HA THR 62 -1.933 -20.999 -3.372 487 HB THR 62 HB THR 62 -3.832 -20.748 -1.057 488 HG1 THR 62 1HG THR 62 -3.421 -22.913 -1.420 489 HG21 THR 62 3HG2 THR 62 -4.261 -20.683 -4.060 490 HG22 THR 62 1HG2 THR 62 -4.248 -19.245 -3.026 491 HG23 THR 62 2HG2 THR 62 -5.507 -20.474 -2.833 492 H VAL 63 H VAL 63 -2.539 -18.874 -3.861 493 HA VAL 63 HA VAL 63 -1.043 -16.955 -2.348 494 HB VAL 63 HB VAL 63 -2.385 -15.534 -4.276 495 HG11 VAL 63 1HG1 VAL 63 0.007 -15.430 -3.825 496 HG12 VAL 63 2HG1 VAL 63 -0.242 -15.780 -5.536 497 HG13 VAL 63 3HG1 VAL 63 0.222 -17.068 -4.434 498 HG21 VAL 63 3HG2 VAL 63 -3.395 -17.626 -5.127 499 HG22 VAL 63 1HG2 VAL 63 -1.787 -18.334 -5.272 500 HG23 VAL 63 2HG2 VAL 63 -2.245 -16.972 -6.295 501 H LEU 64 H LEU 64 -1.843 -15.967 -0.620 502 HA LEU 64 HA LEU 64 -4.660 -16.002 -0.055 503 HB2 LEU 64 2HB LEU 64 -2.281 -14.756 1.315 504 HB3 LEU 64 1HB LEU 64 -3.929 -14.491 1.877 505 HG LEU 64 HG LEU 64 -4.216 -17.000 1.936 506 HD11 LEU 64 1HD1 LEU 64 -2.509 -17.752 0.467 507 HD12 LEU 64 2HD1 LEU 64 -1.953 -18.216 2.074 508 HD13 LEU 64 3HD1 LEU 64 -1.275 -16.788 1.282 509 HD21 LEU 64 3HD2 LEU 64 -3.433 -17.091 4.111 510 HD22 LEU 64 1HD2 LEU 64 -3.330 -15.349 3.852 511 HD23 LEU 64 2HD2 LEU 64 -1.887 -16.352 3.697 512 H ALA 65 H ALA 65 -2.544 -13.965 -1.789 513 HA ALA 65 HA ALA 65 -4.752 -12.030 -2.033 514 HB1 ALA 65 1HB ALA 65 -3.610 -10.361 -1.088 515 HB2 ALA 65 2HB ALA 65 -2.294 -10.593 -2.236 516 HB3 ALA 65 3HB ALA 65 -2.296 -11.474 -0.708 517 H ILE 66 H ILE 66 -5.169 -11.472 -4.050 518 HA ILE 66 HA ILE 66 -3.141 -12.007 -6.119 519 HB ILE 66 HB ILE 66 -6.051 -12.789 -6.075 520 HG12 ILE 66 2HG1 ILE 66 -4.747 -14.874 -7.137 521 HG13 ILE 66 1HG1 ILE 66 -3.394 -14.164 -6.259 522 HG21 ILE 66 1HG2 ILE 66 -5.750 -11.646 -8.179 523 HG22 ILE 66 2HG2 ILE 66 -5.696 -13.378 -8.507 524 HG23 ILE 66 3HG2 ILE 66 -4.202 -12.444 -8.451 525 HD11 ILE 66 3HD1 ILE 66 -4.857 -14.128 -4.200 526 HD12 ILE 66 1HD1 ILE 66 -4.471 -15.753 -4.777 527 HD13 ILE 66 2HD1 ILE 66 -6.056 -15.046 -5.107 528 H LEU 67 H LEU 67 -2.587 -9.927 -6.703 529 HA LEU 67 HA LEU 67 -4.826 -8.157 -7.443 530 HB2 LEU 67 2HB LEU 67 -2.922 -6.385 -6.618 531 HB3 LEU 67 1HB LEU 67 -4.314 -6.892 -5.666 532 HG LEU 67 HG LEU 67 -2.911 -8.777 -4.764 533 HD11 LEU 67 1HD1 LEU 67 -1.312 -8.344 -6.860 534 HD12 LEU 67 2HD1 LEU 67 -0.697 -9.033 -5.356 535 HD13 LEU 67 3HD1 LEU 67 -0.481 -7.315 -5.695 536 HD21 LEU 67 3HD2 LEU 67 -1.960 -5.923 -4.369 537 HD22 LEU 67 1HD2 LEU 67 -1.476 -7.265 -3.332 538 HD23 LEU 67 2HD2 LEU 67 -3.170 -6.782 -3.415 539 H GLY 68 H GLY 68 -4.225 -6.340 -8.828 540 HA2 GLY 68 2HA GLY 68 -1.985 -7.012 -10.641 541 HA3 GLY 68 1HA GLY 68 -3.557 -6.492 -11.238 542 H LYS 69 H LYS 69 -2.602 -4.729 -12.316 543 HA LYS 69 HA LYS 69 -0.887 -2.813 -11.322 544 HB2 LYS 69 2HB LYS 69 -3.135 -2.161 -13.203 545 HB3 LYS 69 1HB LYS 69 -1.495 -1.533 -13.175 546 HG2 LYS 69 2HG LYS 69 -1.052 -3.084 -14.768 547 HG3 LYS 69 1HG LYS 69 -1.072 -4.243 -13.438 548 HD2 LYS 69 2HD LYS 69 -2.594 -5.120 -15.044 549 HD3 LYS 69 1HD LYS 69 -3.609 -4.380 -13.805 550 HE2 LYS 69 2HE LYS 69 -3.007 -2.312 -15.623 551 HE3 LYS 69 1HE LYS 69 -3.396 -3.717 -16.615 552 HZ1 LYS 69 3HZ LYS 69 -5.255 -3.770 -14.624 553 HZ2 LYS 69 1HZ LYS 69 -5.509 -3.218 -16.207 554 HZ3 LYS 69 2HZ LYS 69 -5.108 -2.116 -14.977 555 H GLY 70 H GLY 70 -1.046 -0.970 -10.200 556 HA2 GLY 70 2HA GLY 70 -1.989 0.850 -9.121 557 HA3 GLY 70 1HA GLY 70 -3.578 0.250 -9.538 558 H ASP 71 H ASP 71 -2.804 -2.443 -8.401 559 HA ASP 71 HA ASP 71 -4.041 -2.292 -5.958 560 HB2 ASP 71 2HB ASP 71 -3.377 -4.482 -5.594 561 HB3 ASP 71 1HB ASP 71 -3.239 -4.342 -7.346 562 H LEU 72 H LEU 72 -3.520 -1.797 -3.917 563 HA LEU 72 HA LEU 72 -0.803 -0.761 -3.420 564 HB2 LEU 72 2HB LEU 72 -2.566 0.884 -3.059 565 HB3 LEU 72 1HB LEU 72 -3.426 -0.229 -1.998 566 HG LEU 72 HG LEU 72 -1.213 -0.240 -0.606 567 HD11 LEU 72 1HD1 LEU 72 -0.143 1.138 -2.582 568 HD12 LEU 72 2HD1 LEU 72 0.295 1.494 -0.911 569 HD13 LEU 72 3HD1 LEU 72 -0.884 2.504 -1.746 570 HD21 LEU 72 3HD2 LEU 72 -3.458 1.652 -0.729 571 HD22 LEU 72 1HD2 LEU 72 -2.044 2.287 0.114 572 HD23 LEU 72 2HD2 LEU 72 -2.794 0.784 0.655 573 H ILE 73 H ILE 73 0.350 -1.413 -1.604 574 HA ILE 73 HA ILE 73 -0.728 -3.793 -0.240 575 HB ILE 73 HB ILE 73 1.256 -4.900 -0.421 576 HG12 ILE 73 2HG1 ILE 73 3.463 -3.657 -0.595 577 HG13 ILE 73 1HG1 ILE 73 2.528 -2.204 -0.218 578 HG21 ILE 73 1HG2 ILE 73 1.104 -2.953 -2.633 579 HG22 ILE 73 2HG2 ILE 73 0.913 -4.697 -2.683 580 HG23 ILE 73 3HG2 ILE 73 2.521 -3.988 -2.536 581 HD11 ILE 73 3HD1 ILE 73 3.570 -4.120 1.596 582 HD12 ILE 73 1HD1 ILE 73 1.816 -4.312 1.610 583 HD13 ILE 73 2HD1 ILE 73 2.534 -2.743 1.969 584 H GLY 74 H GLY 74 -0.416 -3.990 1.879 585 HA2 GLY 74 2HA GLY 74 0.871 -3.195 3.889 586 HA3 GLY 74 1HA GLY 74 0.486 -1.571 3.333 587 H SER 75 H SER 75 -0.186 -2.910 5.878 588 HA SER 75 HA SER 75 -3.011 -3.467 5.832 589 HB2 SER 75 2HB SER 75 -2.308 -2.956 8.468 590 HB3 SER 75 1HB SER 75 -2.332 -4.533 7.685 591 HG SER 75 HG SER 75 -0.257 -4.525 7.960 592 H ASP 76 H ASP 76 -4.668 -2.220 6.731 593 HA ASP 76 HA ASP 76 -4.410 0.606 6.318 594 HB2 ASP 76 2HB ASP 76 -6.492 -1.016 6.069 595 HB3 ASP 76 1HB ASP 76 -6.754 -0.564 7.753 596 H SER 77 H SER 77 -5.819 1.854 8.220 597 HA SER 77 HA SER 77 -5.680 2.821 10.296 598 HB2 SER 77 2HB SER 77 -5.414 1.410 12.190 599 HB3 SER 77 1HB SER 77 -6.215 0.421 10.973 600 HG SER 77 HG SER 77 -4.508 -0.747 11.805 601 H LEU 78 H LEU 78 -3.582 3.258 8.490 602 HA LEU 78 HA LEU 78 -0.990 2.855 9.391 603 HB2 LEU 78 2HB LEU 78 -2.350 4.760 7.619 604 HB3 LEU 78 1HB LEU 78 -0.883 5.400 8.360 605 HG LEU 78 HG LEU 78 0.333 3.344 7.625 606 HD11 LEU 78 1HD1 LEU 78 -2.386 2.558 6.957 607 HD12 LEU 78 2HD1 LEU 78 -0.932 1.565 7.053 608 HD13 LEU 78 3HD1 LEU 78 -1.321 2.418 5.558 609 HD21 LEU 78 3HD2 LEU 78 -0.946 5.301 5.762 610 HD22 LEU 78 1HD2 LEU 78 -0.083 3.936 5.043 611 HD23 LEU 78 2HD2 LEU 78 0.765 5.038 6.126 612 H THR 79 H THR 79 -3.465 4.513 10.956 613 HA THR 79 HA THR 79 -1.788 6.454 12.310 614 HB THR 79 HB THR 79 -4.473 5.788 13.381 615 HG1 THR 79 1HG THR 79 -5.519 6.332 11.621 616 HG21 THR 79 3HG2 THR 79 -4.594 8.137 13.679 617 HG22 THR 79 1HG2 THR 79 -3.343 8.434 12.471 618 HG23 THR 79 2HG2 THR 79 -2.914 7.728 14.029 619 H LYS 80 H LYS 80 -2.305 3.169 12.621 620 HA LYS 80 HA LYS 80 -2.167 3.056 15.522 621 HB2 LYS 80 2HB LYS 80 -3.429 1.375 14.137 622 HB3 LYS 80 1HB LYS 80 -1.874 0.790 13.541 623 HG2 LYS 80 2HG LYS 80 -1.197 0.056 15.687 624 HG3 LYS 80 1HG LYS 80 -2.438 1.012 16.498 625 HD2 LYS 80 2HD LYS 80 -4.114 -0.501 16.023 626 HD3 LYS 80 1HD LYS 80 -3.340 -1.051 14.536 627 HE2 LYS 80 2HE LYS 80 -2.051 -2.603 15.618 628 HE3 LYS 80 1HE LYS 80 -1.866 -1.598 17.056 629 HZ1 LYS 80 3HZ LYS 80 -3.326 -3.026 17.937 630 HZ2 LYS 80 1HZ LYS 80 -3.882 -3.569 16.429 631 HZ3 LYS 80 2HZ LYS 80 -4.492 -2.127 17.088 632 H GLU 81 H GLU 81 -0.007 3.228 12.878 633 HA GLU 81 HA GLU 81 2.250 2.492 12.700 634 HB2 GLU 81 2HB GLU 81 1.948 4.957 13.381 635 HB3 GLU 81 1HB GLU 81 2.450 4.439 14.990 636 HG2 GLU 81 2HG GLU 81 4.557 4.786 14.221 637 HG3 GLU 81 1HG GLU 81 4.341 3.236 13.409 638 H GLN 82 H GLN 82 2.384 0.351 13.407 639 HA GLN 82 HA GLN 82 3.626 0.036 16.040 640 HB2 GLN 82 2HB GLN 82 0.945 -0.727 15.515 641 HB3 GLN 82 1HB GLN 82 1.897 -2.200 15.625 642 HG2 GLN 82 2HG GLN 82 1.840 0.013 17.679 643 HG3 GLN 82 1HG GLN 82 1.076 -1.568 17.816 644 HE21 GLN 82 1HE2 GLN 82 2.358 -3.306 18.548 645 HE22 GLN 82 2HE2 GLN 82 4.025 -3.188 18.843 646 H VAL 83 H VAL 83 4.409 -2.323 16.268 647 HA VAL 83 HA VAL 83 6.124 -2.871 14.048 648 HB VAL 83 HB VAL 83 7.073 -4.555 15.401 649 HG11 VAL 83 1HG1 VAL 83 5.872 -2.386 17.145 650 HG12 VAL 83 2HG1 VAL 83 7.470 -2.396 16.397 651 HG13 VAL 83 3HG1 VAL 83 7.105 -3.513 17.712 652 HG21 VAL 83 3HG2 VAL 83 5.741 -5.316 17.495 653 HG22 VAL 83 1HG2 VAL 83 5.244 -5.957 15.930 654 HG23 VAL 83 2HG2 VAL 83 4.336 -4.640 16.671 655 H ILE 84 H ILE 84 5.623 -3.954 12.269 656 HA ILE 84 HA ILE 84 3.604 -6.106 12.429 657 HB ILE 84 HB ILE 84 3.444 -5.084 9.838 658 HG12 ILE 84 2HG1 ILE 84 3.185 -2.773 11.764 659 HG13 ILE 84 1HG1 ILE 84 4.698 -3.088 10.914 660 HG21 ILE 84 1HG2 ILE 84 1.469 -5.846 10.831 661 HG22 ILE 84 2HG2 ILE 84 1.233 -4.098 10.860 662 HG23 ILE 84 3HG2 ILE 84 1.752 -4.942 12.319 663 HD11 ILE 84 3HD1 ILE 84 1.998 -2.449 9.714 664 HD12 ILE 84 1HD1 ILE 84 3.327 -3.108 8.760 665 HD13 ILE 84 2HD1 ILE 84 3.500 -1.540 9.546 666 H LYS 85 H LYS 85 4.097 -7.953 11.420 667 HA LYS 85 HA LYS 85 6.488 -7.993 9.691 668 HB2 LYS 85 2HB LYS 85 6.556 -10.464 10.800 669 HB3 LYS 85 1HB LYS 85 7.457 -9.089 11.430 670 HG2 LYS 85 2HG LYS 85 5.934 -8.694 13.149 671 HG3 LYS 85 1HG LYS 85 4.634 -9.533 12.310 672 HD2 LYS 85 2HD LYS 85 5.559 -11.674 12.788 673 HD3 LYS 85 1HD LYS 85 7.102 -10.975 13.279 674 HE2 LYS 85 2HE LYS 85 4.934 -11.608 14.953 675 HE3 LYS 85 1HE LYS 85 6.384 -10.704 15.387 676 HZ1 LYS 85 3HZ LYS 85 5.327 -8.671 14.804 677 HZ2 LYS 85 1HZ LYS 85 4.266 -9.514 15.824 678 HZ3 LYS 85 2HZ LYS 85 3.982 -9.478 14.148 679 H THR 86 H THR 86 6.263 -9.081 7.826 680 HA THR 86 HA THR 86 3.662 -9.923 7.009 681 HB THR 86 HB THR 86 6.194 -10.641 5.551 682 HG1 THR 86 1HG THR 86 6.271 -8.571 4.774 683 HG21 THR 86 3HG2 THR 86 3.313 -10.337 4.931 684 HG22 THR 86 1HG2 THR 86 4.525 -11.380 4.190 685 HG23 THR 86 2HG2 THR 86 4.422 -9.681 3.729 686 H ASN 87 H ASN 87 2.723 -11.775 7.507 687 HA ASN 87 HA ASN 87 4.239 -14.006 8.553 688 HB2 ASN 87 2HB ASN 87 1.840 -13.127 9.208 689 HB3 ASN 87 1HB ASN 87 1.328 -14.183 7.893 690 HD21 ASN 87 1HD2 ASN 87 2.051 -16.525 8.065 691 HD22 ASN 87 2HD2 ASN 87 2.267 -17.189 9.613 692 H ALA 88 H ALA 88 2.681 -13.137 5.541 693 HA ALA 88 HA ALA 88 3.122 -15.837 4.465 694 HB1 ALA 88 1HB ALA 88 1.211 -13.721 3.950 695 HB2 ALA 88 2HB ALA 88 1.160 -15.411 3.441 696 HB3 ALA 88 3HB ALA 88 2.013 -14.217 2.459 697 H ASN 89 H ASN 89 3.548 -15.411 1.870 698 HA ASN 89 HA ASN 89 6.097 -13.898 1.779 699 HB2 ASN 89 2HB ASN 89 5.457 -16.195 -0.074 700 HB3 ASN 89 1HB ASN 89 7.033 -15.564 0.414 701 HD21 ASN 89 1HD2 ASN 89 7.614 -17.821 1.058 702 HD22 ASN 89 2HD2 ASN 89 7.043 -18.443 2.530 703 H VAL 90 H VAL 90 6.613 -13.152 -0.511 704 HA VAL 90 HA VAL 90 4.199 -12.516 -2.026 705 HB VAL 90 HB VAL 90 6.255 -10.740 -0.840 706 HG11 VAL 90 1HG1 VAL 90 6.441 -10.475 -3.274 707 HG12 VAL 90 2HG1 VAL 90 5.813 -9.022 -2.505 708 HG13 VAL 90 3HG1 VAL 90 4.723 -10.112 -3.368 709 HG21 VAL 90 3HG2 VAL 90 3.930 -10.982 0.090 710 HG22 VAL 90 1HG2 VAL 90 3.307 -10.346 -1.432 711 HG23 VAL 90 2HG2 VAL 90 4.317 -9.334 -0.401 712 H LYS 91 H LYS 91 4.378 -12.947 -4.090 713 HA LYS 91 HA LYS 91 7.044 -13.014 -5.309 714 HB2 LYS 91 2HB LYS 91 6.634 -15.323 -4.885 715 HB3 LYS 91 1HB LYS 91 4.959 -15.191 -5.419 716 HG2 LYS 91 2HG LYS 91 5.606 -14.882 -7.698 717 HG3 LYS 91 1HG LYS 91 7.295 -14.623 -7.255 718 HD2 LYS 91 2HD LYS 91 7.618 -16.828 -7.611 719 HD3 LYS 91 1HD LYS 91 6.664 -17.116 -6.155 720 HE2 LYS 91 2HE LYS 91 4.618 -17.255 -7.455 721 HE3 LYS 91 1HE LYS 91 5.478 -16.804 -8.927 722 HZ1 LYS 91 3HZ LYS 91 6.847 -18.949 -7.843 723 HZ2 LYS 91 1HZ LYS 91 5.889 -18.942 -9.243 724 HZ3 LYS 91 2HZ LYS 91 5.200 -19.356 -7.746 725 H ALA 92 H ALA 92 7.048 -11.655 -6.961 726 HA ALA 92 HA ALA 92 4.677 -10.555 -8.084 727 HB1 ALA 92 1HB ALA 92 7.597 -10.315 -8.533 728 HB2 ALA 92 2HB ALA 92 6.368 -9.057 -8.411 729 HB3 ALA 92 3HB ALA 92 6.571 -9.946 -9.919 730 H LEU 93 H LEU 93 3.375 -11.505 -9.509 731 HA LEU 93 HA LEU 93 4.003 -13.986 -10.765 732 HB2 LEU 93 2HB LEU 93 1.685 -12.317 -10.370 733 HB3 LEU 93 1HB LEU 93 1.778 -12.821 -12.057 734 HG LEU 93 HG LEU 93 1.860 -15.148 -11.439 735 HD11 LEU 93 1HD1 LEU 93 1.497 -15.350 -8.720 736 HD12 LEU 93 2HD1 LEU 93 2.633 -14.006 -8.833 737 HD13 LEU 93 3HD1 LEU 93 3.041 -15.569 -9.542 738 HD21 LEU 93 3HD2 LEU 93 -0.393 -14.521 -11.463 739 HD22 LEU 93 1HD2 LEU 93 -0.213 -13.452 -10.072 740 HD23 LEU 93 2HD2 LEU 93 -0.236 -15.201 -9.843 741 H THR 94 H THR 94 3.552 -10.668 -11.907 742 HA THR 94 HA THR 94 5.142 -11.320 -14.307 743 HB THR 94 HB THR 94 2.968 -9.256 -14.417 744 HG1 THR 94 1HG THR 94 2.407 -11.629 -13.721 745 HG21 THR 94 3HG2 THR 94 3.507 -11.086 -16.660 746 HG22 THR 94 1HG2 THR 94 4.894 -10.111 -16.174 747 HG23 THR 94 2HG2 THR 94 3.386 -9.327 -16.647 748 H TYR 95 H TYR 95 6.481 -9.601 -15.051 749 HA TYR 95 HA TYR 95 7.800 -8.116 -13.160 750 HB2 TYR 95 2HB TYR 95 7.994 -6.468 -15.334 751 HB3 TYR 95 1HB TYR 95 8.989 -7.901 -15.069 752 HD1 TYR 95 2HD TYR 95 5.736 -6.793 -16.552 753 HD2 TYR 95 1HD TYR 95 8.895 -9.704 -16.584 754 HE1 TYR 95 2HE TYR 95 4.749 -7.840 -18.571 755 HE2 TYR 95 1HE TYR 95 7.908 -10.751 -18.604 756 HH TYR 95 HH TYR 95 5.221 -9.271 -20.315 757 H CYS 96 H CYS 96 7.117 -6.609 -11.800 758 HA CYS 96 HA CYS 96 5.189 -4.616 -12.778 759 HB2 CYS 96 2HB CYS 96 4.128 -6.482 -11.373 760 HB3 CYS 96 1HB CYS 96 5.003 -5.787 -10.010 761 HG CYS 96 HG CYS 96 3.207 -3.852 -11.635 762 H ASP 97 H ASP 97 5.604 -2.573 -12.216 763 HA ASP 97 HA ASP 97 8.013 -2.029 -10.656 764 HB2 ASP 97 2HB ASP 97 7.946 0.132 -11.564 765 HB3 ASP 97 1HB ASP 97 7.292 -0.856 -12.869 766 H LEU 98 H LEU 98 7.955 -1.451 -8.553 767 HA LEU 98 HA LEU 98 5.331 -0.659 -7.442 768 HB2 LEU 98 2HB LEU 98 7.479 -2.113 -5.906 769 HB3 LEU 98 1HB LEU 98 5.785 -1.897 -5.473 770 HG LEU 98 HG LEU 98 5.435 -3.134 -7.825 771 HD11 LEU 98 1HD1 LEU 98 7.735 -3.417 -8.417 772 HD12 LEU 98 2HD1 LEU 98 7.175 -5.000 -7.879 773 HD13 LEU 98 3HD1 LEU 98 8.151 -3.997 -6.803 774 HD21 LEU 98 3HD2 LEU 98 5.034 -5.147 -6.567 775 HD22 LEU 98 1HD2 LEU 98 4.666 -3.798 -5.494 776 HD23 LEU 98 2HD2 LEU 98 6.189 -4.670 -5.324 777 H GLN 99 H GLN 99 5.229 1.136 -6.260 778 HA GLN 99 HA GLN 99 7.761 2.535 -5.658 779 HB2 GLN 99 2HB GLN 99 4.980 3.511 -6.286 780 HB3 GLN 99 1HB GLN 99 6.120 4.534 -5.412 781 HG2 GLN 99 2HG GLN 99 7.002 3.178 -7.941 782 HG3 GLN 99 1HG GLN 99 6.023 4.642 -8.042 783 HE21 GLN 99 1HE2 GLN 99 7.481 6.310 -8.498 784 HE22 GLN 99 2HE2 GLN 99 8.926 6.582 -7.651 785 H TYR 100 H TYR 100 8.238 2.928 -3.539 786 HA TYR 100 HA TYR 100 6.113 2.790 -1.561 787 HB2 TYR 100 2HB TYR 100 7.018 1.028 -0.268 788 HB3 TYR 100 1HB TYR 100 6.961 0.426 -1.918 789 HD1 TYR 100 2HD TYR 100 9.488 2.314 -2.675 790 HD2 TYR 100 1HD TYR 100 8.682 -0.655 0.315 791 HE1 TYR 100 2HE TYR 100 11.903 1.793 -2.533 792 HE2 TYR 100 1HE TYR 100 11.093 -1.175 0.447 793 HH TYR 100 HH TYR 100 13.232 -0.558 -1.708 794 H ILE 101 H ILE 101 6.912 3.212 0.636 795 HA ILE 101 HA ILE 101 9.414 4.667 0.842 796 HB ILE 101 HB ILE 101 8.522 6.695 0.456 797 HG12 ILE 101 2HG1 ILE 101 8.121 6.490 3.034 798 HG13 ILE 101 1HG1 ILE 101 7.284 7.758 2.148 799 HG21 ILE 101 1HG2 ILE 101 5.954 5.141 0.432 800 HG22 ILE 101 2HG2 ILE 101 6.859 5.752 -0.958 801 HG23 ILE 101 3HG2 ILE 101 6.001 6.874 0.103 802 HD11 ILE 101 3HD1 ILE 101 5.995 5.064 2.411 803 HD12 ILE 101 1HD1 ILE 101 5.255 6.637 2.153 804 HD13 ILE 101 2HD1 ILE 101 5.891 6.216 3.744 805 H SER 102 H SER 102 9.956 5.160 3.072 806 HA SER 102 HA SER 102 8.928 3.159 4.869 807 HB2 SER 102 2HB SER 102 10.518 4.094 6.484 808 HB3 SER 102 1HB SER 102 11.301 3.832 4.927 809 HG SER 102 HG SER 102 10.464 6.180 4.641 810 H LEU 103 H LEU 103 7.250 3.370 6.189 811 HA LEU 103 HA LEU 103 5.450 5.441 6.197 812 HB2 LEU 103 2HB LEU 103 5.889 3.065 7.745 813 HB3 LEU 103 1HB LEU 103 5.429 4.376 8.830 814 HG LEU 103 HG LEU 103 3.467 3.118 7.913 815 HD11 LEU 103 1HD1 LEU 103 3.676 5.736 8.429 816 HD12 LEU 103 2HD1 LEU 103 2.187 5.030 7.801 817 HD13 LEU 103 3HD1 LEU 103 3.306 5.844 6.708 818 HD21 LEU 103 3HD2 LEU 103 3.555 4.415 5.302 819 HD22 LEU 103 1HD2 LEU 103 3.259 2.721 5.696 820 HD23 LEU 103 2HD2 LEU 103 4.913 3.309 5.522 821 H LYS 104 H LYS 104 8.371 5.105 8.134 822 HA LYS 104 HA LYS 104 7.860 7.288 9.894 823 HB2 LYS 104 2HB LYS 104 10.372 5.848 9.041 824 HB3 LYS 104 1HB LYS 104 10.410 7.210 10.161 825 HG2 LYS 104 2HG LYS 104 10.305 5.031 11.347 826 HG3 LYS 104 1HG LYS 104 8.895 6.036 11.683 827 HD2 LYS 104 2HD LYS 104 7.502 4.759 10.255 828 HD3 LYS 104 1HD LYS 104 8.880 3.989 9.465 829 HE2 LYS 104 2HE LYS 104 8.122 2.316 10.932 830 HE3 LYS 104 1HE LYS 104 9.430 3.073 11.842 831 HZ1 LYS 104 3HZ LYS 104 6.545 3.201 12.273 832 HZ2 LYS 104 1HZ LYS 104 7.438 4.602 12.612 833 HZ3 LYS 104 2HZ LYS 104 7.811 3.147 13.404 834 H GLY 105 H GLY 105 9.468 6.942 6.783 835 HA2 GLY 105 2HA GLY 105 10.531 9.559 6.563 836 HA3 GLY 105 1HA GLY 105 10.197 8.460 5.234 837 H LEU 106 H LEU 106 7.499 8.107 5.414 838 HA LEU 106 HA LEU 106 6.549 10.419 4.097 839 HB2 LEU 106 2HB LEU 106 5.630 8.370 3.419 840 HB3 LEU 106 1HB LEU 106 5.194 7.918 5.064 841 HG LEU 106 HG LEU 106 4.042 10.468 4.074 842 HD11 LEU 106 1HD1 LEU 106 3.945 8.815 2.116 843 HD12 LEU 106 2HD1 LEU 106 2.400 9.467 2.661 844 HD13 LEU 106 3HD1 LEU 106 2.883 7.838 3.130 845 HD21 LEU 106 3HD2 LEU 106 3.086 8.062 5.647 846 HD22 LEU 106 1HD2 LEU 106 2.004 9.370 5.170 847 HD23 LEU 106 2HD2 LEU 106 3.364 9.697 6.241 848 H ARG 107 H ARG 107 5.898 9.127 7.341 849 HA ARG 107 HA ARG 107 3.941 11.087 7.900 850 HB2 ARG 107 2HB ARG 107 3.917 9.017 9.141 851 HB3 ARG 107 1HB ARG 107 5.515 9.349 9.785 852 HG2 ARG 107 2HG ARG 107 3.825 9.923 11.454 853 HG3 ARG 107 1HG ARG 107 4.637 11.386 10.896 854 HD2 ARG 107 2HD ARG 107 2.683 12.235 10.187 855 HD3 ARG 107 1HD ARG 107 2.427 10.830 9.158 856 HE ARG 107 HE ARG 107 0.850 10.144 10.696 857 HH11 ARG 107 1HH2 ARG 107 3.251 12.105 12.227 858 HH12 ARG 107 2HH2 ARG 107 2.521 12.021 13.796 859 HH21 ARG 107 1HH1 ARG 107 -0.117 10.028 12.748 860 HH22 ARG 107 2HH1 ARG 107 0.612 10.843 14.091 861 H GLU 108 H GLU 108 7.389 11.126 8.191 862 HA GLU 108 HA GLU 108 7.578 13.291 10.047 863 HB2 GLU 108 2HB GLU 108 9.415 11.596 9.272 864 HB3 GLU 108 1HB GLU 108 9.672 12.750 7.963 865 HG2 GLU 108 2HG GLU 108 10.091 13.103 10.911 866 HG3 GLU 108 1HG GLU 108 11.134 13.578 9.572 867 H VAL 109 H VAL 109 7.915 13.045 6.554 868 HA VAL 109 HA VAL 109 8.174 15.761 5.922 869 HB VAL 109 HB VAL 109 7.056 14.916 3.709 870 HG11 VAL 109 1HG1 VAL 109 9.369 15.081 3.573 871 HG12 VAL 109 2HG1 VAL 109 9.174 13.329 3.442 872 HG13 VAL 109 3HG1 VAL 109 9.619 14.055 4.984 873 HG21 VAL 109 3HG2 VAL 109 7.324 12.363 3.638 874 HG22 VAL 109 1HG2 VAL 109 5.862 13.060 4.323 875 HG23 VAL 109 2HG2 VAL 109 7.122 12.445 5.380 876 H LEU 110 H LEU 110 5.319 13.683 5.981 877 HA LEU 110 HA LEU 110 3.432 15.720 5.517 878 HB2 LEU 110 2HB LEU 110 3.466 12.926 5.959 879 HB3 LEU 110 1HB LEU 110 2.336 13.582 7.105 880 HG LEU 110 HG LEU 110 1.133 14.726 5.295 881 HD11 LEU 110 1HD1 LEU 110 3.629 14.287 3.943 882 HD12 LEU 110 2HD1 LEU 110 2.283 15.310 3.454 883 HD13 LEU 110 3HD1 LEU 110 2.320 13.612 2.978 884 HD21 LEU 110 3HD2 LEU 110 0.140 12.835 4.348 885 HD22 LEU 110 1HD2 LEU 110 0.918 12.145 5.774 886 HD23 LEU 110 2HD2 LEU 110 1.675 11.984 4.190 887 H ARG 111 H ARG 111 5.162 14.685 8.366 888 HA ARG 111 HA ARG 111 3.553 15.789 10.378 889 HB2 ARG 111 2HB ARG 111 5.848 14.508 10.536 890 HB3 ARG 111 1HB ARG 111 6.534 16.130 10.473 891 HG2 ARG 111 2HG ARG 111 6.162 16.225 12.700 892 HG3 ARG 111 1HG ARG 111 4.451 16.378 12.298 893 HD2 ARG 111 2HD ARG 111 4.113 14.007 12.485 894 HD3 ARG 111 1HD ARG 111 5.845 13.708 12.594 895 HE ARG 111 HE ARG 111 5.287 15.357 14.725 896 HH11 ARG 111 1HH2 ARG 111 4.131 12.328 13.515 897 HH12 ARG 111 2HH2 ARG 111 3.726 11.701 15.078 898 HH21 ARG 111 1HH1 ARG 111 4.757 14.540 16.780 899 HH22 ARG 111 2HH1 ARG 111 4.080 12.954 16.926 900 H LEU 112 H LEU 112 5.830 17.217 8.106 901 HA LEU 112 HA LEU 112 5.821 19.860 9.145 902 HB2 LEU 112 2HB LEU 112 7.173 18.655 7.125 903 HB3 LEU 112 1HB LEU 112 5.940 19.506 6.195 904 HG LEU 112 HG LEU 112 6.592 21.526 7.771 905 HD11 LEU 112 1HD1 LEU 112 9.263 20.146 7.624 906 HD12 LEU 112 2HD1 LEU 112 8.196 19.869 9.000 907 HD13 LEU 112 3HD1 LEU 112 8.771 21.497 8.644 908 HD21 LEU 112 3HD2 LEU 112 8.075 20.473 5.363 909 HD22 LEU 112 1HD2 LEU 112 8.497 22.025 6.086 910 HD23 LEU 112 2HD2 LEU 112 6.878 21.766 5.436 911 H TYR 113 H TYR 113 3.650 17.928 7.295 912 HA TYR 113 HA TYR 113 1.739 20.199 7.097 913 HB2 TYR 113 2HB TYR 113 2.366 17.944 5.233 914 HB3 TYR 113 1HB TYR 113 0.702 18.525 5.313 915 HD1 TYR 113 1HD TYR 113 0.209 20.951 4.879 916 HD2 TYR 113 2HD TYR 113 4.084 19.232 4.185 917 HE1 TYR 113 1HE TYR 113 0.817 22.892 3.459 918 HE2 TYR 113 2HE TYR 113 4.691 21.173 2.765 919 HH TYR 113 HH TYR 113 3.534 23.902 2.791 920 HA PRO 114 HA PRO 114 0.218 17.175 10.266 921 HB2 PRO 114 2HB PRO 114 -1.153 19.590 11.267 922 HB3 PRO 114 1HB PRO 114 -0.088 18.456 12.117 923 HG2 PRO 114 2HG PRO 114 0.686 20.936 11.465 924 HG3 PRO 114 1HG PRO 114 1.809 19.566 11.501 925 HD2 PRO 114 2HD PRO 114 0.568 20.925 9.135 926 HD3 PRO 114 1HD PRO 114 2.192 20.226 9.317 927 H GLU 115 H GLU 115 -1.795 19.707 8.691 928 HA GLU 115 HA GLU 115 -4.266 18.453 9.263 929 HB2 GLU 115 2HB GLU 115 -3.528 20.311 6.988 930 HB3 GLU 115 1HB GLU 115 -5.174 19.890 7.465 931 HG2 GLU 115 2HG GLU 115 -5.051 21.689 8.836 932 HG3 GLU 115 1HG GLU 115 -4.048 20.663 9.861 933 H TYR 116 H TYR 116 -2.299 18.444 6.313 934 HA TYR 116 HA TYR 116 -3.926 16.532 4.952 935 HB2 TYR 116 2HB TYR 116 -1.303 17.868 4.500 936 HB3 TYR 116 1HB TYR 116 -1.625 16.384 3.611 937 HD1 TYR 116 1HD TYR 116 -3.795 16.211 2.267 938 HD2 TYR 116 2HD TYR 116 -2.317 19.911 3.873 939 HE1 TYR 116 1HE TYR 116 -5.252 17.470 0.706 940 HE2 TYR 116 2HE TYR 116 -3.774 21.171 2.311 941 HH TYR 116 HH TYR 116 -6.057 19.490 0.169 942 H ALA 117 H ALA 117 -1.105 16.390 7.009 943 HA ALA 117 HA ALA 117 -0.351 13.727 6.455 944 HB1 ALA 117 1HB ALA 117 1.225 15.174 7.434 945 HB2 ALA 117 2HB ALA 117 0.872 13.943 8.649 946 HB3 ALA 117 3HB ALA 117 0.158 15.552 8.784 947 H GLN 118 H GLN 118 -1.975 15.005 9.363 948 HA GLN 118 HA GLN 118 -2.521 12.544 10.528 949 HB2 GLN 118 2HB GLN 118 -4.161 15.094 10.554 950 HB3 GLN 118 1HB GLN 118 -4.425 13.732 11.628 951 HG2 GLN 118 2HG GLN 118 -1.951 15.452 11.463 952 HG3 GLN 118 1HG GLN 118 -3.079 15.328 12.809 953 HE21 GLN 118 1HE2 GLN 118 -0.551 13.548 11.035 954 HE22 GLN 118 2HE2 GLN 118 -0.259 12.417 12.267 955 H LYS 119 H LYS 119 -4.045 14.277 7.927 956 HA LYS 119 HA LYS 119 -6.345 12.583 7.695 957 HB2 LYS 119 2HB LYS 119 -6.052 15.003 6.858 958 HB3 LYS 119 1HB LYS 119 -5.195 14.288 5.493 959 HG2 LYS 119 2HG LYS 119 -7.094 13.298 4.637 960 HG3 LYS 119 1HG LYS 119 -7.846 13.116 6.221 961 HD2 LYS 119 2HD LYS 119 -7.457 15.775 4.820 962 HD3 LYS 119 1HD LYS 119 -8.960 14.850 4.793 963 HE2 LYS 119 2HE LYS 119 -8.422 14.901 7.474 964 HE3 LYS 119 1HE LYS 119 -7.784 16.465 6.969 965 HZ1 LYS 119 3HZ LYS 119 -10.534 15.424 6.700 966 HZ2 LYS 119 1HZ LYS 119 -9.981 16.695 5.724 967 HZ3 LYS 119 2HZ LYS 119 -10.012 16.875 7.413 968 H PHE 120 H PHE 120 -3.039 12.463 6.499 969 HA PHE 120 HA PHE 120 -3.424 10.866 4.230 970 HB2 PHE 120 2HB PHE 120 -1.230 11.169 4.098 971 HB3 PHE 120 1HB PHE 120 -1.269 11.916 5.689 972 HD1 PHE 120 1HD PHE 120 -1.036 8.572 4.002 973 HD2 PHE 120 2HD PHE 120 -0.177 10.912 7.501 974 HE1 PHE 120 1HE PHE 120 0.351 6.742 4.880 975 HE2 PHE 120 2HE PHE 120 1.192 9.053 8.401 976 HZ PHE 120 HZ PHE 120 1.457 6.965 7.089 977 H VAL 121 H VAL 121 -3.134 9.929 7.626 978 HA VAL 121 HA VAL 121 -2.835 7.165 7.172 979 HB VAL 121 HB VAL 121 -3.569 6.887 9.490 980 HG11 VAL 121 1HG1 VAL 121 -1.614 8.929 8.645 981 HG12 VAL 121 2HG1 VAL 121 -1.410 7.562 9.741 982 HG13 VAL 121 3HG1 VAL 121 -2.126 9.064 10.327 983 HG21 VAL 121 3HG2 VAL 121 -4.920 9.420 8.891 984 HG22 VAL 121 1HG2 VAL 121 -4.046 9.459 10.423 985 HG23 VAL 121 2HG2 VAL 121 -5.277 8.228 10.141 986 H SER 122 H SER 122 -5.669 9.249 7.364 987 HA SER 122 HA SER 122 -7.514 7.009 7.153 988 HB2 SER 122 2HB SER 122 -9.253 8.648 7.339 989 HB3 SER 122 1HB SER 122 -7.999 9.091 8.494 990 HG SER 122 HG SER 122 -8.811 10.333 6.146 991 H GLU 123 H GLU 123 -6.441 9.742 5.146 992 HA GLU 123 HA GLU 123 -8.079 9.385 2.937 993 HB2 GLU 123 2HB GLU 123 -5.795 10.909 3.552 994 HB3 GLU 123 1HB GLU 123 -5.389 10.016 2.087 995 HG2 GLU 123 2HG GLU 123 -7.415 10.825 0.989 996 HG3 GLU 123 1HG GLU 123 -7.918 11.644 2.467 997 H ILE 124 H ILE 124 -5.239 7.576 3.916 998 HA ILE 124 HA ILE 124 -4.659 6.244 1.535 999 HB ILE 124 HB ILE 124 -3.616 6.213 4.033 1000 HG12 ILE 124 2HG1 ILE 124 -3.322 4.353 1.683 1001 HG13 ILE 124 1HG1 ILE 124 -2.253 5.653 2.208 1002 HG21 ILE 124 1HG2 ILE 124 -3.869 4.007 5.009 1003 HG22 ILE 124 2HG2 ILE 124 -4.895 3.485 3.675 1004 HG23 ILE 124 3HG2 ILE 124 -5.474 4.706 4.810 1005 HD11 ILE 124 3HD1 ILE 124 -1.042 3.919 3.073 1006 HD12 ILE 124 1HD1 ILE 124 -2.444 2.855 3.175 1007 HD13 ILE 124 2HD1 ILE 124 -2.179 4.086 4.410 1008 H GLN 125 H GLN 125 -7.013 5.478 4.071 1009 HA GLN 125 HA GLN 125 -7.843 2.975 3.311 1010 HB2 GLN 125 2HB GLN 125 -9.744 3.329 4.591 1011 HB3 GLN 125 1HB GLN 125 -8.666 4.580 5.210 1012 HG2 GLN 125 2HG GLN 125 -10.595 5.788 4.779 1013 HG3 GLN 125 1HG GLN 125 -9.605 6.019 3.345 1014 HE21 GLN 125 1HE2 GLN 125 -11.397 3.035 4.091 1015 HE22 GLN 125 2HE2 GLN 125 -12.462 3.151 2.775 1016 H HIS 126 H HIS 126 -8.481 6.032 1.777 1017 HA HIS 126 HA HIS 126 -10.588 5.183 0.080 1018 HB2 HIS 126 2HB HIS 126 -9.642 7.582 0.683 1019 HB3 HIS 126 1HB HIS 126 -8.717 7.309 -0.788 1020 HD1 HIS 126 1HD HIS 126 -9.990 7.242 -3.023 1021 HD2 HIS 126 2HD HIS 126 -12.485 7.731 0.282 1022 HE1 HIS 126 1HE HIS 126 -12.277 7.841 -3.933 1023 HE2 HIS 126 2HE HIS 126 -13.810 8.141 -1.931 1024 H ASP 127 H ASP 127 -7.164 4.709 -0.010 1025 HA ASP 127 HA ASP 127 -7.421 3.619 -2.752 1026 HB2 ASP 127 2HB ASP 127 -5.732 5.657 -1.902 1027 HB3 ASP 127 1HB ASP 127 -4.696 4.232 -1.941 1028 H LEU 128 H LEU 128 -7.686 2.414 0.054 1029 HA LEU 128 HA LEU 128 -5.443 0.636 0.329 1030 HB2 LEU 128 2HB LEU 128 -6.846 1.342 2.248 1031 HB3 LEU 128 1HB LEU 128 -8.202 0.444 1.563 1032 HG LEU 128 HG LEU 128 -6.372 -1.513 1.516 1033 HD11 LEU 128 1HD1 LEU 128 -4.644 0.069 2.466 1034 HD12 LEU 128 2HD1 LEU 128 -4.879 -1.403 3.409 1035 HD13 LEU 128 3HD1 LEU 128 -5.596 0.114 3.951 1036 HD21 LEU 128 3HD2 LEU 128 -7.190 -1.885 4.037 1037 HD22 LEU 128 1HD2 LEU 128 -8.300 -2.049 2.676 1038 HD23 LEU 128 2HD2 LEU 128 -8.272 -0.557 3.618 1039 H THR 129 H THR 129 -5.059 -1.069 -0.925 1040 HA THR 129 HA THR 129 -7.261 -2.284 -2.444 1041 HB THR 129 HB THR 129 -4.259 -2.593 -2.636 1042 HG1 THR 129 1HG THR 129 -5.449 -0.654 -3.422 1043 HG21 THR 129 3HG2 THR 129 -6.463 -4.232 -3.637 1044 HG22 THR 129 1HG2 THR 129 -4.735 -4.581 -3.593 1045 HG23 THR 129 2HG2 THR 129 -5.413 -3.647 -4.926 1046 H TYR 130 H TYR 130 -4.385 -3.461 -0.684 1047 HA TYR 130 HA TYR 130 -6.058 -5.600 0.474 1048 HB2 TYR 130 2HB TYR 130 -4.587 -6.323 -1.529 1049 HB3 TYR 130 1HB TYR 130 -3.229 -6.108 -0.424 1050 HD1 TYR 130 2HD TYR 130 -6.320 -8.023 -1.085 1051 HD2 TYR 130 1HD TYR 130 -2.893 -7.590 1.470 1052 HE1 TYR 130 2HE TYR 130 -6.794 -10.237 -0.072 1053 HE2 TYR 130 1HE TYR 130 -3.366 -9.806 2.480 1054 HH TYR 130 HH TYR 130 -5.782 -11.252 2.688 1055 H ASN 131 H ASN 131 -5.957 -5.489 2.618 1056 HA ASN 131 HA ASN 131 -3.802 -4.000 3.879 1057 HB2 ASN 131 2HB ASN 131 -5.176 -3.813 5.732 1058 HB3 ASN 131 1HB ASN 131 -6.368 -3.936 4.441 1059 HD21 ASN 131 1HD2 ASN 131 -4.719 -5.845 6.978 1060 HD22 ASN 131 2HD2 ASN 131 -5.909 -7.054 7.059 1061 H LEU 132 H LEU 132 -1.959 -5.052 4.283 1062 HA LEU 132 HA LEU 132 -2.036 -7.914 4.897 1063 HB2 LEU 132 2HB LEU 132 -0.422 -7.154 3.228 1064 HB3 LEU 132 1HB LEU 132 0.278 -6.026 4.380 1065 HG LEU 132 HG LEU 132 1.443 -8.331 4.003 1066 HD11 LEU 132 1HD1 LEU 132 1.109 -8.153 6.889 1067 HD12 LEU 132 2HD1 LEU 132 1.343 -6.565 6.163 1068 HD13 LEU 132 3HD1 LEU 132 2.539 -7.835 5.905 1069 HD21 LEU 132 3HD2 LEU 132 -0.651 -9.178 6.018 1070 HD22 LEU 132 1HD2 LEU 132 0.592 -10.178 5.270 1071 HD23 LEU 132 2HD2 LEU 132 -0.752 -9.576 4.302 1072 H ARG 133 H ARG 133 -2.281 -8.478 6.934 1073 HA ARG 133 HA ARG 133 -1.310 -6.716 9.079 1074 HB2 ARG 133 2HB ARG 133 -3.011 -7.492 10.411 1075 HB3 ARG 133 1HB ARG 133 -3.768 -7.658 8.828 1076 HG2 ARG 133 2HG ARG 133 -2.919 -10.032 8.760 1077 HG3 ARG 133 1HG ARG 133 -2.401 -9.828 10.434 1078 HD2 ARG 133 2HD ARG 133 -4.639 -10.879 10.275 1079 HD3 ARG 133 1HD ARG 133 -4.671 -9.343 11.127 1080 HE ARG 133 HE ARG 133 -5.646 -9.791 8.373 1081 HH11 ARG 133 1HH2 ARG 133 -5.372 -7.858 11.243 1082 HH12 ARG 133 2HH2 ARG 133 -6.602 -6.739 10.763 1083 HH21 ARG 133 1HH1 ARG 133 -7.253 -8.321 7.752 1084 HH22 ARG 133 2HH1 ARG 133 -7.664 -6.998 8.792 1085 H GLU 134 H GLU 134 -0.194 -7.591 10.874 1086 HA GLU 134 HA GLU 134 1.745 -9.582 10.171 1087 HB2 GLU 134 2HB GLU 134 2.474 -9.264 12.567 1088 HB3 GLU 134 1HB GLU 134 2.437 -7.786 11.605 1089 HG2 GLU 134 2HG GLU 134 1.033 -6.873 13.103 1090 HG3 GLU 134 1HG GLU 134 -0.158 -8.113 12.709 1091 H GLY 135 H GLY 135 1.925 -11.679 10.853 1092 HA2 GLY 135 2HA GLY 135 1.386 -13.582 12.155 1093 HA3 GLY 135 1HA GLY 135 -0.071 -12.763 12.708
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