NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26614 | 2npb | 7324 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 0.910 1.260 0.912 2 H2 MET 1 H2 MET 1 1.888 0.180 1.641 3 H3 MET 1 H3 MET 1 0.515 -0.343 0.937 4 HA MET 1 HA MET 1 2.501 -0.838 -0.391 5 HB2 MET 1 HB2 MET 1 0.134 -0.556 -1.332 6 HB3 MET 1 HB3 MET 1 0.587 1.070 -1.801 7 HG2 MET 1 HG2 MET 1 0.676 -0.693 -3.574 8 HG3 MET 1 HG3 MET 1 2.178 0.197 -3.402 9 HE1 MET 1 HE1 MET 1 2.521 -2.211 -5.114 10 HE2 MET 1 HE2 MET 1 2.569 -3.817 -4.351 11 HE3 MET 1 HE3 MET 1 1.033 -2.944 -4.461 12 H ALA 2 H ALA 2 4.017 0.148 -2.028 13 HA ALA 2 HA ALA 2 5.035 2.827 -1.433 14 HB1 ALA 2 HB1 ALA 2 6.398 2.423 -3.457 15 HB2 ALA 2 HB2 ALA 2 6.517 1.054 -2.346 16 HB3 ALA 2 HB3 ALA 2 5.487 0.940 -3.797 17 H LEU 3 H LEU 3 5.108 4.305 -3.534 18 HA LEU 3 HA LEU 3 2.476 4.332 -4.909 19 HB2 LEU 3 HB2 LEU 3 3.016 6.022 -2.860 20 HB3 LEU 3 HB3 LEU 3 3.843 6.885 -4.154 21 HG LEU 3 HG LEU 3 1.721 7.034 -5.428 22 HD11 LEU 3 HD11 LEU 3 0.495 5.033 -4.666 23 HD12 LEU 3 HD12 LEU 3 -0.434 6.478 -4.248 24 HD13 LEU 3 HD13 LEU 3 0.518 5.645 -3.006 25 HD21 LEU 3 HD21 LEU 3 0.563 8.606 -3.913 26 HD22 LEU 3 HD22 LEU 3 2.318 8.788 -3.743 27 HD23 LEU 3 HD23 LEU 3 1.398 7.908 -2.512 28 H ALA 4 H ALA 4 2.573 4.675 -6.980 29 HA ALA 4 HA ALA 4 5.133 5.114 -8.410 30 HB1 ALA 4 HB1 ALA 4 2.395 4.254 -9.418 31 HB2 ALA 4 HB2 ALA 4 3.888 4.349 -10.380 32 HB3 ALA 4 HB3 ALA 4 3.777 3.188 -9.049 33 H VAL 5 H VAL 5 5.716 7.068 -9.086 34 HA VAL 5 HA VAL 5 3.648 9.065 -9.909 35 HB VAL 5 HB VAL 5 6.510 9.605 -9.227 36 HG11 VAL 5 HG11 VAL 5 5.924 11.958 -9.065 37 HG12 VAL 5 HG12 VAL 5 5.626 11.356 -10.689 38 HG13 VAL 5 HG13 VAL 5 4.266 11.596 -9.572 39 HG21 VAL 5 HG21 VAL 5 5.137 8.931 -7.193 40 HG22 VAL 5 HG22 VAL 5 5.881 10.527 -7.118 41 HG23 VAL 5 HG23 VAL 5 4.156 10.379 -7.483 42 H ARG 6 H ARG 6 4.016 10.154 -11.779 43 HA ARG 6 HA ARG 6 5.964 9.123 -13.768 44 HB2 ARG 6 HB2 ARG 6 2.952 9.173 -14.261 45 HB3 ARG 6 HB3 ARG 6 4.163 8.930 -15.530 46 HG2 ARG 6 HG2 ARG 6 3.708 7.088 -13.153 47 HG3 ARG 6 HG3 ARG 6 3.191 6.803 -14.825 48 HD2 ARG 6 HD2 ARG 6 5.548 6.851 -15.568 49 HD3 ARG 6 HD3 ARG 6 6.101 7.092 -13.918 50 HE ARG 6 HE ARG 6 5.087 4.669 -15.151 51 HH11 ARG 6 HH11 ARG 6 5.993 6.174 -12.101 52 HH12 ARG 6 HH12 ARG 6 6.415 4.654 -11.341 53 HH21 ARG 6 HH21 ARG 6 5.566 2.769 -14.067 54 HH22 ARG 6 HH22 ARG 6 6.194 2.832 -12.408 55 H VAL 7 H VAL 7 6.373 10.348 -15.539 56 HA VAL 7 HA VAL 7 5.123 13.026 -15.789 57 HB VAL 7 HB VAL 7 8.110 12.572 -16.022 58 HG11 VAL 7 HG11 VAL 7 7.229 14.292 -17.562 59 HG12 VAL 7 HG12 VAL 7 6.439 15.113 -16.200 60 HG13 VAL 7 HG13 VAL 7 8.208 15.014 -16.288 61 HG21 VAL 7 HG21 VAL 7 6.582 13.973 -13.817 62 HG22 VAL 7 HG22 VAL 7 7.613 12.532 -13.667 63 HG23 VAL 7 HG23 VAL 7 8.340 14.090 -14.080 64 H VAL 8 H VAL 8 4.099 12.734 -17.653 65 HA VAL 8 HA VAL 8 5.369 11.277 -19.912 66 HB VAL 8 HB VAL 8 2.865 12.899 -20.270 67 HG11 VAL 8 HG11 VAL 8 4.088 11.712 -22.181 68 HG12 VAL 8 HG12 VAL 8 3.755 10.184 -21.355 69 HG13 VAL 8 HG13 VAL 8 2.414 11.174 -21.946 70 HG21 VAL 8 HG21 VAL 8 1.508 10.898 -19.730 71 HG22 VAL 8 HG22 VAL 8 2.948 10.125 -19.031 72 HG23 VAL 8 HG23 VAL 8 2.273 11.612 -18.303 73 H TYR 9 H TYR 9 6.634 12.280 -21.464 74 HA TYR 9 HA TYR 9 6.585 15.237 -21.685 75 HB2 TYR 9 HB2 TYR 9 8.149 14.577 -19.870 76 HB3 TYR 9 HB3 TYR 9 9.000 13.515 -20.993 77 HD1 TYR 9 HD2 TYR 9 7.946 17.070 -20.589 78 HD2 TYR 9 HD1 TYR 9 10.924 14.367 -22.098 79 HE1 TYR 9 HE2 TYR 9 9.431 19.009 -21.113 80 HE2 TYR 9 HE1 TYR 9 12.401 16.314 -22.651 81 HH TYR 9 HH TYR 9 12.547 18.602 -22.750 82 H SER 10 H SER 10 7.782 16.075 -23.432 83 HA SER 10 HA SER 10 8.123 14.350 -25.835 84 HB2 SER 10 HB2 SER 10 8.248 16.566 -26.994 85 HB3 SER 10 HB3 SER 10 6.691 16.229 -26.227 86 HG SER 10 HG SER 10 8.768 17.715 -25.014 87 H GLY 11 H GLY 11 10.180 13.550 -25.908 88 HA2 GLY 11 HA2 GLY 11 12.457 14.560 -24.575 89 HA3 GLY 11 HA3 GLY 11 12.453 13.329 -25.838 90 H ALA 12 H ALA 12 11.943 16.857 -25.788 91 HA ALA 12 HA ALA 12 13.399 17.396 -28.236 92 HB1 ALA 12 HB1 ALA 12 11.406 18.661 -27.524 93 HB2 ALA 12 HB2 ALA 12 12.266 19.223 -26.071 94 HB3 ALA 12 HB3 ALA 12 12.813 19.731 -27.683 95 H CYS 13 H CYS 13 15.209 16.092 -27.057 96 HA CYS 13 HA CYS 13 17.357 15.941 -26.270 97 HB2 CYS 13 HB2 CYS 13 17.635 17.856 -27.945 98 HB3 CYS 13 HB3 CYS 13 17.636 18.951 -26.549 99 HG CYS 13 HG CYS 13 20.102 18.494 -27.455 100 H GLY 14 H GLY 14 18.880 17.226 -24.508 101 HA2 GLY 14 HA2 GLY 14 19.347 17.622 -22.293 102 HA3 GLY 14 HA3 GLY 14 18.046 18.791 -22.490 103 H TYR 15 H TYR 15 16.483 15.922 -22.589 104 HA TYR 15 HA TYR 15 15.076 16.645 -20.402 105 HB2 TYR 15 HB2 TYR 15 13.637 14.885 -20.778 106 HB3 TYR 15 HB3 TYR 15 14.314 15.304 -22.354 107 HD1 TYR 15 HD1 TYR 15 16.423 13.795 -23.108 108 HD2 TYR 15 HD2 TYR 15 13.332 12.643 -20.308 109 HE1 TYR 15 HE1 TYR 15 16.839 11.388 -23.601 110 HE2 TYR 15 HE2 TYR 15 13.743 10.262 -20.835 111 HH TYR 15 HH TYR 15 14.773 8.842 -22.356 112 H LYS 16 H LYS 16 17.447 14.018 -20.308 113 HA LYS 16 HA LYS 16 16.903 12.892 -17.868 114 HB2 LYS 16 HB2 LYS 16 19.304 13.165 -19.580 115 HB3 LYS 16 HB3 LYS 16 19.717 12.917 -17.890 116 HG2 LYS 16 HG2 LYS 16 17.780 11.152 -19.464 117 HG3 LYS 16 HG3 LYS 16 19.508 10.822 -19.282 118 HD2 LYS 16 HD2 LYS 16 17.453 10.880 -17.022 119 HD3 LYS 16 HD3 LYS 16 18.240 9.463 -17.732 120 HE2 LYS 16 HE2 LYS 16 20.468 10.540 -17.097 121 HE3 LYS 16 HE3 LYS 16 19.548 11.707 -16.136 122 HZ1 LYS 16 HZ1 LYS 16 18.655 9.882 -14.821 123 HZ2 LYS 16 HZ2 LYS 16 20.279 9.865 -14.752 124 HZ3 LYS 16 HZ3 LYS 16 19.493 8.770 -15.693 125 HA PRO 17 HA PRO 17 19.210 15.864 -15.012 126 HB2 PRO 17 HB2 PRO 17 19.924 18.392 -15.881 127 HB3 PRO 17 HB3 PRO 17 21.007 16.966 -15.888 128 HG2 PRO 17 HG2 PRO 17 19.350 18.060 -18.178 129 HG3 PRO 17 HG3 PRO 17 21.076 17.573 -18.194 130 HD2 PRO 17 HD2 PRO 17 19.173 15.880 -19.091 131 HD3 PRO 17 HD3 PRO 17 20.522 15.269 -18.096 132 H LYS 18 H LYS 18 17.137 17.439 -17.463 133 HA LYS 18 HA LYS 18 15.705 19.212 -15.733 134 HB2 LYS 18 HB2 LYS 18 15.712 19.344 -18.194 135 HB3 LYS 18 HB3 LYS 18 14.841 17.809 -18.305 136 HG2 LYS 18 HG2 LYS 18 12.875 18.780 -17.211 137 HG3 LYS 18 HG3 LYS 18 13.735 20.320 -16.986 138 HD2 LYS 18 HD2 LYS 18 13.875 20.638 -19.415 139 HD3 LYS 18 HD3 LYS 18 13.246 19.014 -19.700 140 HE2 LYS 18 HE2 LYS 18 11.496 20.626 -20.105 141 HE3 LYS 18 HE3 LYS 18 11.084 19.610 -18.719 142 HZ1 LYS 18 HZ1 LYS 18 11.739 21.400 -17.253 143 HZ2 LYS 18 HZ2 LYS 18 10.620 21.964 -18.301 144 HZ3 LYS 18 HZ3 LYS 18 12.204 22.355 -18.511 145 H TYR 19 H TYR 19 15.061 15.831 -16.558 146 HA TYR 19 HA TYR 19 12.764 15.452 -14.816 147 HB2 TYR 19 HB2 TYR 19 14.719 13.732 -16.339 148 HB3 TYR 19 HB3 TYR 19 13.993 13.010 -14.916 149 HD1 TYR 19 HD1 TYR 19 13.082 14.669 -18.161 150 HD2 TYR 19 HD2 TYR 19 11.886 12.041 -14.952 151 HE1 TYR 19 HE1 TYR 19 11.115 13.893 -19.503 152 HE2 TYR 19 HE2 TYR 19 9.945 11.294 -16.276 153 HH TYR 19 HH TYR 19 8.629 11.750 -18.262 154 H LEU 20 H LEU 20 16.190 14.464 -14.398 155 HA LEU 20 HA LEU 20 15.884 13.416 -11.833 156 HB2 LEU 20 HB2 LEU 20 18.172 14.402 -13.470 157 HB3 LEU 20 HB3 LEU 20 18.472 14.199 -11.754 158 HG LEU 20 HG LEU 20 17.686 11.921 -11.828 159 HD11 LEU 20 HD11 LEU 20 17.317 10.628 -13.772 160 HD12 LEU 20 HD12 LEU 20 17.609 12.044 -14.841 161 HD13 LEU 20 HD13 LEU 20 16.188 11.962 -13.781 162 HD21 LEU 20 HD21 LEU 20 20.083 12.514 -12.121 163 HD22 LEU 20 HD22 LEU 20 19.881 12.411 -13.882 164 HD23 LEU 20 HD23 LEU 20 19.660 10.967 -12.815 165 H GLN 21 H GLN 21 16.594 16.860 -12.586 166 HA GLN 21 HA GLN 21 17.247 17.315 -9.812 167 HB2 GLN 21 HB2 GLN 21 17.382 18.823 -12.206 168 HB3 GLN 21 HB3 GLN 21 16.163 19.705 -11.289 169 HG2 GLN 21 HG2 GLN 21 18.957 18.975 -10.277 170 HG3 GLN 21 HG3 GLN 21 18.547 20.506 -11.061 171 HE21 GLN 21 HE21 GLN 21 16.705 21.837 -9.941 172 HE22 GLN 21 HE22 GLN 21 16.720 21.697 -8.184 173 H LEU 22 H LEU 22 14.161 16.987 -11.363 174 HA LEU 22 HA LEU 22 12.716 17.753 -8.872 175 HB2 LEU 22 HB2 LEU 22 11.808 18.423 -11.030 176 HB3 LEU 22 HB3 LEU 22 11.760 16.754 -11.598 177 HG LEU 22 HG LEU 22 10.216 17.599 -9.116 178 HD11 LEU 22 HD11 LEU 22 9.246 17.762 -12.003 179 HD12 LEU 22 HD12 LEU 22 9.623 19.142 -10.953 180 HD13 LEU 22 HD13 LEU 22 8.277 18.080 -10.542 181 HD21 LEU 22 HD21 LEU 22 9.756 15.444 -11.244 182 HD22 LEU 22 HD22 LEU 22 8.639 15.815 -9.918 183 HD23 LEU 22 HD23 LEU 22 10.222 15.163 -9.550 184 H LYS 23 H LYS 23 13.540 14.911 -10.853 185 HA LYS 23 HA LYS 23 11.941 13.023 -9.373 186 HB2 LYS 23 HB2 LYS 23 13.310 12.989 -11.794 187 HB3 LYS 23 HB3 LYS 23 14.335 11.977 -10.804 188 HG2 LYS 23 HG2 LYS 23 11.651 11.139 -10.407 189 HG3 LYS 23 HG3 LYS 23 11.841 11.419 -12.139 190 HD2 LYS 23 HD2 LYS 23 12.334 9.087 -11.585 191 HD3 LYS 23 HD3 LYS 23 13.796 9.890 -12.195 192 HE2 LYS 23 HE2 LYS 23 14.685 10.162 -10.030 193 HE3 LYS 23 HE3 LYS 23 13.143 9.885 -9.252 194 HZ1 LYS 23 HZ1 LYS 23 14.645 8.014 -9.011 195 HZ2 LYS 23 HZ2 LYS 23 14.752 7.772 -10.630 196 HZ3 LYS 23 HZ3 LYS 23 13.339 7.548 -9.723 197 H GLU 24 H GLU 24 15.438 13.465 -9.434 198 HA GLU 24 HA GLU 24 16.089 11.837 -7.155 199 HB2 GLU 24 HB2 GLU 24 17.498 13.441 -9.204 200 HB3 GLU 24 HB3 GLU 24 18.165 13.738 -7.641 201 HG2 GLU 24 HG2 GLU 24 19.388 11.917 -8.527 202 HG3 GLU 24 HG3 GLU 24 18.259 11.103 -7.435 203 H LYS 25 H LYS 25 14.414 14.728 -7.209 204 HA LYS 25 HA LYS 25 15.081 15.371 -4.377 205 HB2 LYS 25 HB2 LYS 25 13.860 16.862 -6.616 206 HB3 LYS 25 HB3 LYS 25 12.734 16.714 -5.271 207 HG2 LYS 25 HG2 LYS 25 13.828 18.650 -4.749 208 HG3 LYS 25 HG3 LYS 25 14.716 17.464 -3.789 209 HD2 LYS 25 HD2 LYS 25 15.566 19.022 -6.233 210 HD3 LYS 25 HD3 LYS 25 16.394 18.825 -4.675 211 HE2 LYS 25 HE2 LYS 25 16.658 16.350 -5.308 212 HE3 LYS 25 HE3 LYS 25 16.091 16.799 -6.923 213 HZ1 LYS 25 HZ1 LYS 25 18.470 16.768 -6.840 214 HZ2 LYS 25 HZ2 LYS 25 18.513 17.882 -5.624 215 HZ3 LYS 25 HZ3 LYS 25 17.953 18.319 -7.109 216 H LEU 26 H LEU 26 12.244 14.395 -6.250 217 HA LEU 26 HA LEU 26 10.663 13.977 -3.972 218 HB2 LEU 26 HB2 LEU 26 10.334 13.895 -6.750 219 HB3 LEU 26 HB3 LEU 26 10.014 12.233 -6.281 220 HG LEU 26 HG LEU 26 8.385 13.012 -4.613 221 HD11 LEU 26 HD11 LEU 26 7.428 15.289 -4.766 222 HD12 LEU 26 HD12 LEU 26 8.668 15.738 -5.968 223 HD13 LEU 26 HD13 LEU 26 9.126 15.384 -4.299 224 HD21 LEU 26 HD21 LEU 26 7.938 13.866 -7.511 225 HD22 LEU 26 HD22 LEU 26 6.632 13.622 -6.343 226 HD23 LEU 26 HD23 LEU 26 7.647 12.250 -6.818 227 H GLU 27 H GLU 27 12.597 11.596 -5.623 228 HA GLU 27 HA GLU 27 12.193 9.410 -3.754 229 HB2 GLU 27 HB2 GLU 27 13.879 10.083 -6.096 230 HB3 GLU 27 HB3 GLU 27 14.726 9.094 -4.912 231 HG2 GLU 27 HG2 GLU 27 13.077 7.407 -4.925 232 HG3 GLU 27 HG3 GLU 27 11.923 8.375 -5.830 233 H HIS 28 H HIS 28 14.471 12.109 -3.658 234 HA HIS 28 HA HIS 28 16.074 11.153 -1.436 235 HB2 HIS 28 HB2 HIS 28 17.120 12.805 -2.626 236 HB3 HIS 28 HB3 HIS 28 15.689 13.701 -2.973 237 HD1 HIS 28 HD1 HIS 28 14.981 15.691 -1.401 238 HD2 HIS 28 HD2 HIS 28 18.192 13.307 -0.035 239 HE1 HIS 28 HE1 HIS 28 16.076 16.965 0.488 240 H GLU 29 H GLU 29 13.183 13.133 -1.780 241 HA GLU 29 HA GLU 29 12.776 13.825 0.964 242 HB2 GLU 29 HB2 GLU 29 11.177 13.795 -1.594 243 HB3 GLU 29 HB3 GLU 29 10.355 13.981 -0.071 244 HG2 GLU 29 HG2 GLU 29 10.633 16.178 -0.461 245 HG3 GLU 29 HG3 GLU 29 12.195 15.922 0.294 246 H PHE 30 H PHE 30 11.476 11.226 -1.046 247 HA PHE 30 HA PHE 30 10.290 9.888 1.363 248 HB2 PHE 30 HB2 PHE 30 9.080 10.011 -1.398 249 HB3 PHE 30 HB3 PHE 30 8.321 9.508 0.111 250 HD1 PHE 30 HD2 PHE 30 8.394 11.502 2.007 251 HD2 PHE 30 HD1 PHE 30 8.496 12.078 -2.257 252 HE1 PHE 30 HE2 PHE 30 7.654 13.846 2.303 253 HE2 PHE 30 HE1 PHE 30 7.734 14.418 -1.971 254 HZ PHE 30 HZ PHE 30 7.337 15.318 0.296 255 HA PRO 31 HA PRO 31 12.862 7.104 -1.546 256 HB2 PRO 31 HB2 PRO 31 14.676 6.002 0.259 257 HB3 PRO 31 HB3 PRO 31 14.938 7.486 -0.700 258 HG2 PRO 31 HG2 PRO 31 13.953 7.238 2.158 259 HG3 PRO 31 HG3 PRO 31 15.192 8.361 1.503 260 HD2 PRO 31 HD2 PRO 31 12.650 9.186 1.930 261 HD3 PRO 31 HD3 PRO 31 13.552 9.713 0.476 262 H GLY 32 H GLY 32 12.396 5.051 -2.018 263 HA2 GLY 32 HA2 GLY 32 11.609 2.905 -1.975 264 HA3 GLY 32 HA3 GLY 32 11.927 2.874 -0.239 265 H CYS 33 H CYS 33 10.054 5.100 0.265 266 HA CYS 33 HA CYS 33 7.529 3.742 0.388 267 HB2 CYS 33 HB2 CYS 33 8.032 6.701 0.672 268 HB3 CYS 33 HB3 CYS 33 6.733 5.724 1.388 269 HG CYS 33 HG CYS 33 9.992 5.457 2.050 270 H LEU 34 H LEU 34 9.176 5.405 -2.083 271 HA LEU 34 HA LEU 34 6.751 5.694 -3.765 272 HB2 LEU 34 HB2 LEU 34 8.378 7.852 -2.538 273 HB3 LEU 34 HB3 LEU 34 8.267 7.963 -4.289 274 HG LEU 34 HG LEU 34 5.689 7.478 -2.812 275 HD11 LEU 34 HD11 LEU 34 6.758 9.236 -1.450 276 HD12 LEU 34 HD12 LEU 34 5.385 9.859 -2.358 277 HD13 LEU 34 HD13 LEU 34 7.053 10.193 -2.908 278 HD21 LEU 34 HD21 LEU 34 6.496 9.377 -5.053 279 HD22 LEU 34 HD22 LEU 34 4.835 8.996 -4.540 280 HD23 LEU 34 HD23 LEU 34 5.859 7.761 -5.310 281 H ASP 35 H ASP 35 7.075 5.929 -5.828 282 HA ASP 35 HA ASP 35 9.735 5.435 -7.159 283 HB2 ASP 35 HB2 ASP 35 8.274 3.475 -7.323 284 HB3 ASP 35 HB3 ASP 35 6.923 4.513 -7.672 285 H ILE 36 H ILE 36 9.981 6.540 -9.081 286 HA ILE 36 HA ILE 36 7.850 8.131 -10.194 287 HB ILE 36 HB ILE 36 10.546 9.326 -10.073 288 HG12 ILE 36 HG12 ILE 36 9.142 11.175 -8.551 289 HG13 ILE 36 HG13 ILE 36 8.581 9.638 -7.903 290 HG21 ILE 36 HG21 ILE 36 7.849 10.489 -10.882 291 HG22 ILE 36 HG22 ILE 36 9.339 11.444 -10.804 292 HG23 ILE 36 HG23 ILE 36 9.207 10.113 -11.949 293 HD11 ILE 36 HD11 ILE 36 11.037 8.936 -7.817 294 HD12 ILE 36 HD12 ILE 36 11.465 10.606 -8.219 295 HD13 ILE 36 HD13 ILE 36 10.598 10.221 -6.701 296 H CYS 37 H CYS 37 7.853 7.775 -12.199 297 HA CYS 37 HA CYS 37 10.307 7.175 -13.799 298 HB2 CYS 37 HB2 CYS 37 8.462 5.171 -13.184 299 HB3 CYS 37 HB3 CYS 37 8.070 5.619 -14.864 300 HG CYS 37 HG CYS 37 10.829 4.627 -13.384 301 H GLY 38 H GLY 38 9.600 7.008 -16.246 302 HA2 GLY 38 HA2 GLY 38 7.809 9.242 -16.983 303 HA3 GLY 38 HA3 GLY 38 9.518 9.510 -17.335 304 H GLU 39 H GLU 39 6.991 9.155 -18.934 305 HA GLU 39 HA GLU 39 7.557 6.717 -20.572 306 HB2 GLU 39 HB2 GLU 39 5.099 7.724 -19.126 307 HB3 GLU 39 HB3 GLU 39 4.989 6.485 -20.391 308 HG2 GLU 39 HG2 GLU 39 6.252 4.895 -19.176 309 HG3 GLU 39 HG3 GLU 39 6.856 6.082 -18.030 310 H GLY 40 H GLY 40 8.460 8.925 -21.392 311 HA2 GLY 40 HA2 GLY 40 6.823 10.894 -22.583 312 HA3 GLY 40 HA3 GLY 40 8.555 10.693 -22.895 313 H THR 41 H THR 41 5.344 9.587 -23.881 314 HA THR 41 HA THR 41 5.930 8.441 -26.338 315 HB THR 41 HB THR 41 3.747 8.382 -25.376 316 HG1 THR 41 HG1 THR 41 3.477 9.679 -27.875 317 HG21 THR 41 HG21 THR 41 2.103 10.179 -25.596 318 HG22 THR 41 HG22 THR 41 3.344 11.278 -26.230 319 HG23 THR 41 HG23 THR 41 3.445 10.684 -24.557 320 HA PRO 42 HA PRO 42 6.910 11.936 -29.098 321 HB2 PRO 42 HB2 PRO 42 6.987 10.614 -31.470 322 HB3 PRO 42 HB3 PRO 42 8.227 10.334 -30.211 323 HG2 PRO 42 HG2 PRO 42 5.756 8.673 -30.789 324 HG3 PRO 42 HG3 PRO 42 7.447 8.109 -30.580 325 HD2 PRO 42 HD2 PRO 42 5.559 8.131 -28.570 326 HD3 PRO 42 HD3 PRO 42 7.301 8.302 -28.237 327 H GLN 43 H GLN 43 5.805 12.436 -31.411 328 HA GLN 43 HA GLN 43 4.101 13.344 -32.530 329 HB2 GLN 43 HB2 GLN 43 3.194 11.018 -32.593 330 HB3 GLN 43 HB3 GLN 43 2.201 11.402 -31.179 331 HG2 GLN 43 HG2 GLN 43 1.071 13.202 -32.448 332 HG3 GLN 43 HG3 GLN 43 2.101 12.876 -33.850 333 HE21 GLN 43 HE21 GLN 43 1.106 11.509 -35.417 334 HE22 GLN 43 HE22 GLN 43 -0.167 10.378 -34.919 335 H VAL 44 H VAL 44 3.130 12.843 -29.140 336 HA VAL 44 HA VAL 44 1.871 15.474 -28.883 337 HB VAL 44 HB VAL 44 3.056 13.821 -26.624 338 HG11 VAL 44 HG11 VAL 44 1.255 14.899 -25.300 339 HG12 VAL 44 HG12 VAL 44 2.291 16.120 -26.013 340 HG13 VAL 44 HG13 VAL 44 0.704 15.781 -26.743 341 HG21 VAL 44 HG21 VAL 44 0.301 13.534 -27.903 342 HG22 VAL 44 HG22 VAL 44 1.566 12.291 -27.814 343 HG23 VAL 44 HG23 VAL 44 0.775 12.834 -26.338 344 H THR 45 H THR 45 2.817 17.318 -27.851 345 HA THR 45 HA THR 45 5.745 17.492 -27.616 346 HB THR 45 HB THR 45 5.297 17.779 -30.016 347 HG1 THR 45 HG1 THR 45 6.453 19.692 -30.155 348 HG21 THR 45 HG21 THR 45 3.812 20.322 -29.209 349 HG22 THR 45 HG22 THR 45 3.071 18.880 -29.942 350 HG23 THR 45 HG23 THR 45 4.253 19.828 -30.855 351 H GLY 46 H GLY 46 6.403 19.707 -27.044 352 HA2 GLY 46 HA2 GLY 46 6.412 21.535 -25.619 353 HA3 GLY 46 HA3 GLY 46 4.752 21.763 -26.191 354 H PHE 47 H PHE 47 5.634 18.964 -24.208 355 HA PHE 47 HA PHE 47 3.848 20.024 -22.079 356 HB2 PHE 47 HB2 PHE 47 2.558 18.146 -22.121 357 HB3 PHE 47 HB3 PHE 47 2.792 18.579 -23.792 358 HD1 PHE 47 HD2 PHE 47 4.969 17.185 -24.911 359 HD2 PHE 47 HD1 PHE 47 2.413 15.947 -21.672 360 HE1 PHE 47 HE2 PHE 47 5.311 14.782 -25.526 361 HE2 PHE 47 HE1 PHE 47 2.687 13.608 -22.358 362 HZ PHE 47 HZ PHE 47 4.208 13.013 -24.254 363 H PHE 48 H PHE 48 3.770 18.191 -20.205 364 HA PHE 48 HA PHE 48 5.951 16.824 -19.178 365 HB2 PHE 48 HB2 PHE 48 7.013 19.185 -19.158 366 HB3 PHE 48 HB3 PHE 48 5.898 19.593 -17.896 367 HD1 PHE 48 HD2 PHE 48 6.028 18.581 -15.646 368 HD2 PHE 48 HD1 PHE 48 9.008 17.874 -18.675 369 HE1 PHE 48 HE2 PHE 48 7.651 17.911 -13.905 370 HE2 PHE 48 HE1 PHE 48 10.620 17.180 -16.936 371 HZ PHE 48 HZ PHE 48 9.957 17.216 -14.540 372 H GLU 49 H GLU 49 3.896 15.614 -18.826 373 HA GLU 49 HA GLU 49 1.873 16.938 -17.087 374 HB2 GLU 49 HB2 GLU 49 2.021 14.832 -19.234 375 HB3 GLU 49 HB3 GLU 49 0.746 14.702 -18.044 376 HG2 GLU 49 HG2 GLU 49 0.514 16.023 -20.382 377 HG3 GLU 49 HG3 GLU 49 -0.486 16.288 -18.978 378 H VAL 50 H VAL 50 1.805 16.463 -14.857 379 HA VAL 50 HA VAL 50 3.474 14.092 -14.134 380 HB VAL 50 HB VAL 50 2.881 16.501 -12.412 381 HG11 VAL 50 HG11 VAL 50 3.471 14.548 -11.102 382 HG12 VAL 50 HG12 VAL 50 4.859 14.206 -12.154 383 HG13 VAL 50 HG13 VAL 50 4.840 15.656 -11.124 384 HG21 VAL 50 HG21 VAL 50 5.210 17.209 -12.891 385 HG22 VAL 50 HG22 VAL 50 5.377 15.881 -14.060 386 HG23 VAL 50 HG23 VAL 50 4.254 17.206 -14.379 387 H THR 51 H THR 51 2.624 12.481 -13.109 388 HA THR 51 HA THR 51 -0.082 12.708 -11.857 389 HB THR 51 HB THR 51 0.851 10.265 -13.353 390 HG1 THR 51 HG1 THR 51 -0.266 11.078 -15.164 391 HG21 THR 51 HG21 THR 51 -1.448 9.764 -13.704 392 HG22 THR 51 HG22 THR 51 -1.930 11.251 -12.871 393 HG23 THR 51 HG23 THR 51 -1.078 9.943 -11.982 394 H VAL 52 H VAL 52 -0.362 11.509 -10.003 395 HA VAL 52 HA VAL 52 1.623 9.400 -9.279 396 HB VAL 52 HB VAL 52 2.082 11.339 -7.910 397 HG11 VAL 52 HG11 VAL 52 -0.740 11.071 -6.757 398 HG12 VAL 52 HG12 VAL 52 0.516 12.211 -6.249 399 HG13 VAL 52 HG13 VAL 52 -0.217 12.359 -7.850 400 HG21 VAL 52 HG21 VAL 52 2.041 10.254 -5.736 401 HG22 VAL 52 HG22 VAL 52 0.727 9.179 -6.242 402 HG23 VAL 52 HG23 VAL 52 2.336 9.019 -6.971 403 H ALA 53 H ALA 53 0.802 7.523 -8.733 404 HA ALA 53 HA ALA 53 -0.747 5.805 -8.966 405 HB1 ALA 53 HB1 ALA 53 -0.653 6.329 -6.589 406 HB2 ALA 53 HB2 ALA 53 -2.025 7.448 -6.753 407 HB3 ALA 53 HB3 ALA 53 -2.250 5.703 -7.037 408 H GLY 54 H GLY 54 -1.231 7.621 -10.998 409 HA2 GLY 54 HA2 GLY 54 -2.811 7.899 -12.729 410 HA3 GLY 54 HA3 GLY 54 -3.977 6.991 -11.764 411 H LYS 55 H LYS 55 -2.424 9.961 -10.595 412 HA LYS 55 HA LYS 55 -4.944 11.542 -10.847 413 HB2 LYS 55 HB2 LYS 55 -3.212 11.446 -8.443 414 HB3 LYS 55 HB3 LYS 55 -4.760 12.265 -8.572 415 HG2 LYS 55 HG2 LYS 55 -4.284 9.249 -8.565 416 HG3 LYS 55 HG3 LYS 55 -4.794 10.194 -7.177 417 HD2 LYS 55 HD2 LYS 55 -6.954 10.244 -7.782 418 HD3 LYS 55 HD3 LYS 55 -6.604 10.589 -9.467 419 HE2 LYS 55 HE2 LYS 55 -7.833 8.423 -9.004 420 HE3 LYS 55 HE3 LYS 55 -6.437 8.338 -10.074 421 HZ1 LYS 55 HZ1 LYS 55 -5.126 7.394 -8.384 422 HZ2 LYS 55 HZ2 LYS 55 -6.509 6.540 -8.413 423 HZ3 LYS 55 HZ3 LYS 55 -6.261 7.638 -7.204 424 H LEU 56 H LEU 56 -4.410 13.324 -12.039 425 HA LEU 56 HA LEU 56 -1.732 14.260 -12.535 426 HB2 LEU 56 HB2 LEU 56 -3.430 14.513 -14.099 427 HB3 LEU 56 HB3 LEU 56 -4.510 15.401 -13.007 428 HG LEU 56 HG LEU 56 -1.824 16.516 -13.898 429 HD11 LEU 56 HD11 LEU 56 -3.018 17.629 -15.756 430 HD12 LEU 56 HD12 LEU 56 -4.515 16.766 -15.328 431 HD13 LEU 56 HD13 LEU 56 -3.091 15.881 -15.922 432 HD21 LEU 56 HD21 LEU 56 -4.451 17.882 -13.119 433 HD22 LEU 56 HD22 LEU 56 -2.955 18.704 -13.619 434 HD23 LEU 56 HD23 LEU 56 -3.003 17.811 -12.106 435 H VAL 57 H VAL 57 -0.551 15.671 -11.637 436 HA VAL 57 HA VAL 57 -1.598 17.369 -9.365 437 HB VAL 57 HB VAL 57 1.278 16.424 -9.505 438 HG11 VAL 57 HG11 VAL 57 1.194 16.943 -7.057 439 HG12 VAL 57 HG12 VAL 57 0.858 18.366 -8.046 440 HG13 VAL 57 HG13 VAL 57 -0.477 17.504 -7.247 441 HG21 VAL 57 HG21 VAL 57 0.709 14.768 -7.730 442 HG22 VAL 57 HG22 VAL 57 -1.021 15.089 -8.017 443 HG23 VAL 57 HG23 VAL 57 -0.012 14.368 -9.290 444 H HIS 58 H HIS 58 0.234 17.224 -12.339 445 HA HIS 58 HA HIS 58 0.362 20.172 -12.434 446 HB2 HIS 58 HB2 HIS 58 2.503 18.879 -11.539 447 HB3 HIS 58 HB3 HIS 58 2.679 18.476 -13.246 448 HD1 HIS 58 HD1 HIS 58 1.719 22.172 -12.288 449 HD2 HIS 58 HD2 HIS 58 4.853 19.640 -13.584 450 HE1 HIS 58 HE1 HIS 58 3.616 23.665 -12.953 451 H SER 59 H SER 59 0.482 21.015 -14.538 452 HA SER 59 HA SER 59 0.375 19.111 -16.783 453 HB2 SER 59 HB2 SER 59 -2.031 19.562 -15.927 454 HB3 SER 59 HB3 SER 59 -1.697 21.208 -16.271 455 HG SER 59 HG SER 59 -1.166 19.379 -18.340 456 H LYS 60 H LYS 60 2.353 20.026 -17.688 457 HA LYS 60 HA LYS 60 2.689 22.774 -18.141 458 HB2 LYS 60 HB2 LYS 60 4.048 20.378 -18.363 459 HB3 LYS 60 HB3 LYS 60 3.749 20.724 -20.045 460 HG2 LYS 60 HG2 LYS 60 5.319 22.319 -17.987 461 HG3 LYS 60 HG3 LYS 60 5.921 21.550 -19.453 462 HD2 LYS 60 HD2 LYS 60 4.098 23.972 -19.310 463 HD3 LYS 60 HD3 LYS 60 5.827 23.967 -19.708 464 HE2 LYS 60 HE2 LYS 60 5.466 22.634 -21.676 465 HE3 LYS 60 HE3 LYS 60 3.838 22.248 -21.228 466 HZ1 LYS 60 HZ1 LYS 60 4.576 24.988 -21.953 467 HZ2 LYS 60 HZ2 LYS 60 3.069 24.365 -21.606 468 HZ3 LYS 60 HZ3 LYS 60 3.882 23.840 -22.936 469 H LYS 61 H LYS 61 0.839 20.292 -19.842 470 HA LYS 61 HA LYS 61 0.348 21.844 -22.241 471 HB2 LYS 61 HB2 LYS 61 0.367 19.345 -22.040 472 HB3 LYS 61 HB3 LYS 61 -1.192 19.422 -21.206 473 HG2 LYS 61 HG2 LYS 61 -0.881 20.785 -23.891 474 HG3 LYS 61 HG3 LYS 61 -0.956 19.025 -23.851 475 HD2 LYS 61 HD2 LYS 61 -3.130 18.982 -22.902 476 HD3 LYS 61 HD3 LYS 61 -3.085 20.699 -22.478 477 HE2 LYS 61 HE2 LYS 61 -2.914 21.275 -24.909 478 HE3 LYS 61 HE3 LYS 61 -3.115 19.559 -25.303 479 HZ1 LYS 61 HZ1 LYS 61 -5.217 20.788 -25.376 480 HZ2 LYS 61 HZ2 LYS 61 -5.066 21.211 -23.799 481 HZ3 LYS 61 HZ3 LYS 61 -5.273 19.629 -24.208 482 H ARG 62 H ARG 62 -1.625 21.524 -19.208 483 HA ARG 62 HA ARG 62 -3.703 23.262 -20.299 484 HB2 ARG 62 HB2 ARG 62 -4.806 22.917 -18.392 485 HB3 ARG 62 HB3 ARG 62 -3.791 21.496 -18.377 486 HG2 ARG 62 HG2 ARG 62 -3.527 22.072 -16.215 487 HG3 ARG 62 HG3 ARG 62 -2.231 23.104 -16.886 488 HD2 ARG 62 HD2 ARG 62 -4.476 24.672 -16.994 489 HD3 ARG 62 HD3 ARG 62 -4.779 23.739 -15.537 490 HE ARG 62 HE ARG 62 -2.462 24.517 -14.741 491 HH11 ARG 62 HH11 ARG 62 -3.716 26.497 -17.279 492 HH12 ARG 62 HH12 ARG 62 -3.195 27.970 -16.487 493 HH21 ARG 62 HH21 ARG 62 -1.938 26.237 -13.762 494 HH22 ARG 62 HH22 ARG 62 -2.083 27.829 -14.519 495 H GLY 63 H GLY 63 -0.642 23.927 -19.299 496 HA2 GLY 63 HA2 GLY 63 0.392 26.074 -19.407 497 HA3 GLY 63 HA3 GLY 63 -1.172 26.871 -19.157 498 H ASP 64 H ASP 64 -0.050 24.131 -17.092 499 HA ASP 64 HA ASP 64 0.041 25.901 -14.803 500 HB2 ASP 64 HB2 ASP 64 -0.585 23.291 -15.155 501 HB3 ASP 64 HB3 ASP 64 1.110 23.115 -14.686 502 H GLY 65 H GLY 65 2.464 24.958 -17.105 503 HA2 GLY 65 HA2 GLY 65 4.602 26.013 -17.294 504 HA3 GLY 65 HA3 GLY 65 4.552 26.373 -15.565 505 H TYR 66 H TYR 66 6.718 25.281 -15.952 506 HA TYR 66 HA TYR 66 6.589 22.420 -15.186 507 HB2 TYR 66 HB2 TYR 66 9.003 24.270 -15.359 508 HB3 TYR 66 HB3 TYR 66 8.977 22.544 -15.113 509 HD1 TYR 66 HD2 TYR 66 8.223 20.992 -17.002 510 HD2 TYR 66 HD1 TYR 66 9.080 25.183 -17.557 511 HE1 TYR 66 HE2 TYR 66 8.462 20.628 -19.465 512 HE2 TYR 66 HE1 TYR 66 9.294 24.798 -20.035 513 HH TYR 66 HH TYR 66 8.635 21.611 -21.509 514 H VAL 67 H VAL 67 8.428 22.496 -13.081 515 HA VAL 67 HA VAL 67 7.115 24.223 -11.069 516 HB VAL 67 HB VAL 67 8.593 23.461 -9.443 517 HG11 VAL 67 HG11 VAL 67 6.370 22.487 -9.681 518 HG12 VAL 67 HG12 VAL 67 6.934 21.358 -10.923 519 HG13 VAL 67 HG13 VAL 67 7.479 21.171 -9.250 520 HG21 VAL 67 HG21 VAL 67 9.820 21.262 -9.756 521 HG22 VAL 67 HG22 VAL 67 9.499 21.370 -11.503 522 HG23 VAL 67 HG23 VAL 67 10.543 22.555 -10.701 523 H ASP 68 H ASP 68 7.494 25.918 -12.183 524 HA ASP 68 HA ASP 68 9.938 27.232 -12.837 525 HB2 ASP 68 HB2 ASP 68 7.148 28.227 -12.490 526 HB3 ASP 68 HB3 ASP 68 8.439 29.092 -13.277 527 H THR 69 H THR 69 8.354 26.971 -9.813 528 HA THR 69 HA THR 69 10.179 28.963 -8.602 529 HB THR 69 HB THR 69 7.440 29.219 -7.579 530 HG1 THR 69 HG1 THR 69 8.203 30.217 -10.104 531 HG21 THR 69 HG21 THR 69 9.253 30.611 -6.679 532 HG22 THR 69 HG22 THR 69 8.041 31.619 -7.480 533 HG23 THR 69 HG23 THR 69 9.572 31.267 -8.302 534 H GLU 70 H GLU 70 10.234 28.886 -6.369 535 HA GLU 70 HA GLU 70 10.404 26.411 -5.026 536 HB2 GLU 70 HB2 GLU 70 11.039 28.973 -4.440 537 HB3 GLU 70 HB3 GLU 70 9.568 28.930 -3.518 538 HG2 GLU 70 HG2 GLU 70 11.807 26.900 -3.134 539 HG3 GLU 70 HG3 GLU 70 11.693 28.417 -2.244 540 H SER 71 H SER 71 7.970 28.785 -4.802 541 HA SER 71 HA SER 71 6.061 27.361 -3.234 542 HB2 SER 71 HB2 SER 71 6.148 29.867 -4.146 543 HB3 SER 71 HB3 SER 71 4.962 29.250 -5.306 544 HG SER 71 HG SER 71 4.200 30.096 -3.146 545 H LYS 72 H LYS 72 6.673 27.070 -6.608 546 HA LYS 72 HA LYS 72 4.223 25.532 -7.101 547 HB2 LYS 72 HB2 LYS 72 5.582 27.122 -8.852 548 HB3 LYS 72 HB3 LYS 72 6.217 25.512 -9.273 549 HG2 LYS 72 HG2 LYS 72 3.726 24.728 -9.188 550 HG3 LYS 72 HG3 LYS 72 3.301 26.443 -9.134 551 HD2 LYS 72 HD2 LYS 72 4.770 24.954 -11.320 552 HD3 LYS 72 HD3 LYS 72 3.109 25.539 -11.385 553 HE2 LYS 72 HE2 LYS 72 3.888 27.883 -11.270 554 HE3 LYS 72 HE3 LYS 72 5.578 27.324 -11.158 555 HZ1 LYS 72 HZ1 LYS 72 3.750 26.819 -13.437 556 HZ2 LYS 72 HZ2 LYS 72 5.245 26.211 -13.305 557 HZ3 LYS 72 HZ3 LYS 72 5.101 27.793 -13.493 558 H PHE 73 H PHE 73 7.669 24.925 -6.765 559 HA PHE 73 HA PHE 73 7.454 22.029 -7.155 560 HB2 PHE 73 HB2 PHE 73 9.629 23.149 -7.324 561 HB3 PHE 73 HB3 PHE 73 9.516 23.683 -5.654 562 HD1 PHE 73 HD1 PHE 73 9.050 20.363 -7.456 563 HD2 PHE 73 HD2 PHE 73 10.980 22.508 -4.238 564 HE1 PHE 73 HE1 PHE 73 10.020 18.245 -6.610 565 HE2 PHE 73 HE2 PHE 73 11.953 20.372 -3.424 566 HZ PHE 73 HZ PHE 73 11.407 18.252 -4.546 567 H ARG 74 H ARG 74 7.355 24.115 -4.302 568 HA ARG 74 HA ARG 74 7.036 22.190 -2.297 569 HB2 ARG 74 HB2 ARG 74 7.613 24.676 -2.255 570 HB3 ARG 74 HB3 ARG 74 5.875 25.013 -2.302 571 HG2 ARG 74 HG2 ARG 74 5.615 23.919 -0.105 572 HG3 ARG 74 HG3 ARG 74 7.319 23.389 -0.157 573 HD2 ARG 74 HD2 ARG 74 7.980 25.813 -0.392 574 HD3 ARG 74 HD3 ARG 74 6.308 26.272 -0.089 575 HE ARG 74 HE ARG 74 6.655 24.904 2.097 576 HH11 ARG 74 HH11 ARG 74 9.214 26.884 0.623 577 HH12 ARG 74 HH12 ARG 74 10.037 27.085 2.115 578 HH21 ARG 74 HH21 ARG 74 7.753 25.263 3.992 579 HH22 ARG 74 HH22 ARG 74 9.214 26.216 3.975 580 H LYS 75 H LYS 75 4.634 23.364 -4.446 581 HA LYS 75 HA LYS 75 2.216 22.390 -3.318 582 HB2 LYS 75 HB2 LYS 75 2.770 23.801 -5.529 583 HB3 LYS 75 HB3 LYS 75 2.923 22.211 -6.278 584 HG2 LYS 75 HG2 LYS 75 0.723 22.791 -6.724 585 HG3 LYS 75 HG3 LYS 75 0.557 21.717 -5.320 586 HD2 LYS 75 HD2 LYS 75 0.504 23.737 -3.837 587 HD3 LYS 75 HD3 LYS 75 0.677 24.764 -5.278 588 HE2 LYS 75 HE2 LYS 75 -1.434 23.803 -6.208 589 HE3 LYS 75 HE3 LYS 75 -1.633 22.829 -4.745 590 HZ1 LYS 75 HZ1 LYS 75 -1.575 25.793 -4.850 591 HZ2 LYS 75 HZ2 LYS 75 -1.731 24.908 -3.474 592 HZ3 LYS 75 HZ3 LYS 75 -2.920 24.880 -4.615 593 H LEU 76 H LEU 76 4.685 20.885 -5.289 594 HA LEU 76 HA LEU 76 3.392 18.262 -5.345 595 HB2 LEU 76 HB2 LEU 76 4.994 19.242 -7.167 596 HB3 LEU 76 HB3 LEU 76 6.304 18.965 -6.019 597 HG LEU 76 HG LEU 76 5.793 16.540 -5.993 598 HD11 LEU 76 HD11 LEU 76 3.940 17.290 -8.301 599 HD12 LEU 76 HD12 LEU 76 3.466 16.535 -6.763 600 HD13 LEU 76 HD13 LEU 76 4.457 15.636 -7.911 601 HD21 LEU 76 HD21 LEU 76 6.804 16.099 -8.191 602 HD22 LEU 76 HD22 LEU 76 7.571 17.490 -7.411 603 HD23 LEU 76 HD23 LEU 76 6.400 17.749 -8.725 604 H VAL 77 H VAL 77 6.198 19.637 -3.781 605 HA VAL 77 HA VAL 77 6.789 17.270 -2.263 606 HB VAL 77 HB VAL 77 7.284 20.163 -1.401 607 HG11 VAL 77 HG11 VAL 77 9.102 19.221 0.036 608 HG12 VAL 77 HG12 VAL 77 7.489 18.748 0.580 609 HG13 VAL 77 HG13 VAL 77 8.504 17.593 -0.318 610 HG21 VAL 77 HG21 VAL 77 8.428 19.587 -3.522 611 HG22 VAL 77 HG22 VAL 77 9.588 19.780 -2.205 612 HG23 VAL 77 HG23 VAL 77 9.146 18.156 -2.748 613 H THR 78 H THR 78 4.566 19.885 -1.459 614 HA THR 78 HA THR 78 3.869 18.685 1.056 615 HB THR 78 HB THR 78 2.234 20.650 -0.615 616 HG1 THR 78 HG1 THR 78 4.117 21.566 -0.117 617 HG21 THR 78 HG21 THR 78 2.104 20.016 2.367 618 HG22 THR 78 HG22 THR 78 0.837 19.655 1.166 619 HG23 THR 78 HG23 THR 78 1.238 21.334 1.552 620 H ALA 79 H ALA 79 2.588 18.281 -2.195 621 HA ALA 79 HA ALA 79 0.259 16.864 -1.090 622 HB1 ALA 79 HB1 ALA 79 0.042 18.224 -3.183 623 HB2 ALA 79 HB2 ALA 79 1.235 17.172 -3.980 624 HB3 ALA 79 HB3 ALA 79 -0.344 16.519 -3.496 625 H ILE 80 H ILE 80 3.334 16.048 -2.329 626 HA ILE 80 HA ILE 80 2.630 13.188 -2.701 627 HB ILE 80 HB ILE 80 5.251 14.682 -2.958 628 HG12 ILE 80 HG12 ILE 80 3.483 15.191 -4.688 629 HG13 ILE 80 HG13 ILE 80 4.969 14.510 -5.319 630 HG21 ILE 80 HG21 ILE 80 6.102 12.606 -4.072 631 HG22 ILE 80 HG22 ILE 80 5.765 12.386 -2.355 632 HG23 ILE 80 HG23 ILE 80 4.630 11.756 -3.557 633 HD11 ILE 80 HD11 ILE 80 2.943 13.646 -6.433 634 HD12 ILE 80 HD12 ILE 80 3.877 12.348 -5.682 635 HD13 ILE 80 HD13 ILE 80 2.391 12.946 -4.901 636 H LYS 81 H LYS 81 4.033 15.265 -0.264 637 HA LYS 81 HA LYS 81 5.018 13.143 1.476 638 HB2 LYS 81 HB2 LYS 81 5.607 15.561 1.635 639 HB3 LYS 81 HB3 LYS 81 3.985 15.966 2.123 640 HG2 LYS 81 HG2 LYS 81 5.486 13.902 3.751 641 HG3 LYS 81 HG3 LYS 81 6.050 15.565 3.845 642 HD2 LYS 81 HD2 LYS 81 3.192 14.700 4.465 643 HD3 LYS 81 HD3 LYS 81 4.470 14.976 5.655 644 HE2 LYS 81 HE2 LYS 81 4.726 17.318 4.833 645 HE3 LYS 81 HE3 LYS 81 3.397 17.059 3.691 646 HZ1 LYS 81 HZ1 LYS 81 2.638 18.136 5.713 647 HZ2 LYS 81 HZ2 LYS 81 3.135 16.871 6.639 648 HZ3 LYS 81 HZ3 LYS 81 1.919 16.671 5.545 649 H ALA 82 H ALA 82 2.075 14.921 1.174 650 HA ALA 82 HA ALA 82 0.597 13.690 3.362 651 HB1 ALA 82 HB1 ALA 82 -0.471 15.106 0.875 652 HB2 ALA 82 HB2 ALA 82 -1.390 14.736 2.346 653 HB3 ALA 82 HB3 ALA 82 -0.040 15.890 2.409 654 H ALA 83 H ALA 83 0.566 13.052 -0.172 655 HA ALA 83 HA ALA 83 -1.157 10.796 -0.066 656 HB1 ALA 83 HB1 ALA 83 1.031 11.471 -2.082 657 HB2 ALA 83 HB2 ALA 83 -0.344 10.382 -2.352 658 HB3 ALA 83 HB3 ALA 83 -0.627 12.118 -2.121 659 H LEU 84 H LEU 84 2.264 11.066 0.464 660 HA LEU 84 HA LEU 84 2.833 8.246 0.414 661 HB2 LEU 84 HB2 LEU 84 4.486 10.206 0.343 662 HB3 LEU 84 HB3 LEU 84 4.299 10.364 2.080 663 HG LEU 84 HG LEU 84 6.299 9.209 1.224 664 HD11 LEU 84 HD11 LEU 84 6.405 7.459 2.830 665 HD12 LEU 84 HD12 LEU 84 4.652 7.225 2.823 666 HD13 LEU 84 HD13 LEU 84 5.363 8.704 3.508 667 HD21 LEU 84 HD21 LEU 84 6.248 7.372 -0.151 668 HD22 LEU 84 HD22 LEU 84 4.750 8.079 -0.650 669 HD23 LEU 84 HD23 LEU 84 4.717 6.741 0.511 670 H ALA 85 H ALA 85 2.314 10.428 3.137 671 HA ALA 85 HA ALA 85 2.157 8.383 5.127 672 HB1 ALA 85 HB1 ALA 85 2.590 10.784 5.606 673 HB2 ALA 85 HB2 ALA 85 0.915 11.176 5.143 674 HB3 ALA 85 HB3 ALA 85 1.234 10.172 6.578 675 H GLN 86 H GLN 86 -0.129 8.979 2.796 676 HA GLN 86 HA GLN 86 -2.426 7.732 4.226 677 HB2 GLN 86 HB2 GLN 86 -2.039 8.601 1.338 678 HB3 GLN 86 HB3 GLN 86 -3.468 7.758 1.906 679 HG2 GLN 86 HG2 GLN 86 -2.535 10.421 3.060 680 HG3 GLN 86 HG3 GLN 86 -3.650 10.278 1.700 681 HE21 GLN 86 HE21 GLN 86 -4.566 11.685 3.913 682 HE22 GLN 86 HE22 GLN 86 -5.739 10.608 4.705 683 H CYS 87 H CYS 87 -0.438 7.031 1.451 684 HA CYS 87 HA CYS 87 -1.246 4.280 1.215 685 HB2 CYS 87 HB2 CYS 87 0.095 6.043 -0.416 686 HB3 CYS 87 HB3 CYS 87 1.419 4.967 0.069 687 HG CYS 87 HG CYS 87 -1.575 4.164 -1.135 688 H GLN 88 H GLN 88 1.318 5.721 3.115 689 HA GLN 88 HA GLN 88 2.682 3.250 3.686 690 HB2 GLN 88 HB2 GLN 88 3.389 5.767 4.175 691 HB3 GLN 88 HB3 GLN 88 2.537 5.497 5.704 692 HG2 GLN 88 HG2 GLN 88 4.130 3.227 5.547 693 HG3 GLN 88 HG3 GLN 88 5.125 4.393 4.671 694 HE21 GLN 88 HE21 GLN 88 5.473 3.026 7.428 695 HE22 GLN 88 HE22 GLN 88 5.691 4.466 8.443 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -0.353 1.506 -0.270 2 H2 MET 1 H2 MET 1 0.461 1.730 1.150 3 H3 MET 1 H3 MET 1 -0.480 0.402 0.909 4 HA MET 1 HA MET 1 1.743 -0.309 0.713 5 HB2 MET 1 HB2 MET 1 0.438 0.027 -2.027 6 HB3 MET 1 HB3 MET 1 1.841 -1.003 -1.710 7 HG2 MET 1 HG2 MET 1 0.529 -2.313 -0.073 8 HG3 MET 1 HG3 MET 1 -0.903 -1.371 -0.493 9 HE1 MET 1 HE1 MET 1 -1.989 -4.579 -2.235 10 HE2 MET 1 HE2 MET 1 -1.289 -4.341 -0.619 11 HE3 MET 1 HE3 MET 1 -2.463 -3.169 -1.262 12 H ALA 2 H ALA 2 3.178 0.312 -1.995 13 HA ALA 2 HA ALA 2 4.548 2.806 -1.257 14 HB1 ALA 2 HB1 ALA 2 5.730 2.449 -3.390 15 HB2 ALA 2 HB2 ALA 2 5.701 0.940 -2.472 16 HB3 ALA 2 HB3 ALA 2 4.582 1.192 -3.846 17 H LEU 3 H LEU 3 4.742 4.338 -3.351 18 HA LEU 3 HA LEU 3 2.110 4.806 -4.599 19 HB2 LEU 3 HB2 LEU 3 3.344 6.597 -2.861 20 HB3 LEU 3 HB3 LEU 3 4.081 7.025 -4.407 21 HG LEU 3 HG LEU 3 1.817 7.459 -5.324 22 HD11 LEU 3 HD11 LEU 3 0.831 6.807 -2.516 23 HD12 LEU 3 HD12 LEU 3 0.396 5.954 -4.010 24 HD13 LEU 3 HD13 LEU 3 -0.134 7.616 -3.774 25 HD21 LEU 3 HD21 LEU 3 2.453 8.815 -2.653 26 HD22 LEU 3 HD22 LEU 3 1.333 9.461 -3.858 27 HD23 LEU 3 HD23 LEU 3 3.051 9.293 -4.258 28 H ALA 4 H ALA 4 2.357 5.546 -6.743 29 HA ALA 4 HA ALA 4 4.958 4.994 -8.108 30 HB1 ALA 4 HB1 ALA 4 2.234 3.867 -8.898 31 HB2 ALA 4 HB2 ALA 4 3.787 3.543 -9.700 32 HB3 ALA 4 HB3 ALA 4 3.515 2.954 -8.063 33 H VAL 5 H VAL 5 5.533 6.518 -9.571 34 HA VAL 5 HA VAL 5 3.449 8.342 -10.635 35 HB VAL 5 HB VAL 5 6.139 9.203 -9.668 36 HG11 VAL 5 HG11 VAL 5 5.367 11.479 -9.698 37 HG12 VAL 5 HG12 VAL 5 5.205 10.789 -11.305 38 HG13 VAL 5 HG13 VAL 5 3.771 10.980 -10.264 39 HG21 VAL 5 HG21 VAL 5 4.855 8.515 -7.694 40 HG22 VAL 5 HG22 VAL 5 4.991 10.273 -7.728 41 HG23 VAL 5 HG23 VAL 5 3.485 9.488 -8.248 42 H ARG 6 H ARG 6 3.846 9.308 -12.505 43 HA ARG 6 HA ARG 6 6.069 8.412 -14.300 44 HB2 ARG 6 HB2 ARG 6 3.234 7.810 -14.580 45 HB3 ARG 6 HB3 ARG 6 3.643 8.984 -15.817 46 HG2 ARG 6 HG2 ARG 6 3.803 6.667 -16.620 47 HG3 ARG 6 HG3 ARG 6 5.335 7.537 -16.764 48 HD2 ARG 6 HD2 ARG 6 5.558 5.180 -15.993 49 HD3 ARG 6 HD3 ARG 6 6.275 6.378 -14.907 50 HE ARG 6 HE ARG 6 3.597 5.762 -14.108 51 HH11 ARG 6 HH11 ARG 6 6.825 4.258 -13.803 52 HH12 ARG 6 HH12 ARG 6 6.528 4.037 -12.097 53 HH21 ARG 6 HH21 ARG 6 3.377 5.109 -11.936 54 HH22 ARG 6 HH22 ARG 6 4.821 4.341 -11.257 55 H VAL 7 H VAL 7 6.638 9.887 -15.958 56 HA VAL 7 HA VAL 7 5.364 12.563 -15.930 57 HB VAL 7 HB VAL 7 8.401 12.153 -16.098 58 HG11 VAL 7 HG11 VAL 7 8.436 14.648 -16.052 59 HG12 VAL 7 HG12 VAL 7 7.634 14.024 -17.492 60 HG13 VAL 7 HG13 VAL 7 6.661 14.659 -16.164 61 HG21 VAL 7 HG21 VAL 7 7.835 11.872 -13.805 62 HG22 VAL 7 HG22 VAL 7 8.503 13.499 -14.020 63 HG23 VAL 7 HG23 VAL 7 6.749 13.269 -13.831 64 H VAL 8 H VAL 8 4.347 12.282 -17.925 65 HA VAL 8 HA VAL 8 5.844 11.095 -20.187 66 HB VAL 8 HB VAL 8 3.501 10.596 -20.062 67 HG11 VAL 8 HG11 VAL 8 2.591 12.586 -19.070 68 HG12 VAL 8 HG12 VAL 8 2.946 13.526 -20.546 69 HG13 VAL 8 HG13 VAL 8 1.758 12.208 -20.582 70 HG21 VAL 8 HG21 VAL 8 4.653 10.653 -22.264 71 HG22 VAL 8 HG22 VAL 8 2.920 10.995 -22.379 72 HG23 VAL 8 HG23 VAL 8 4.091 12.325 -22.495 73 H TYR 9 H TYR 9 6.951 12.191 -21.724 74 HA TYR 9 HA TYR 9 6.378 14.961 -22.212 75 HB2 TYR 9 HB2 TYR 9 7.768 15.207 -20.198 76 HB3 TYR 9 HB3 TYR 9 9.096 14.364 -20.969 77 HD1 TYR 9 HD2 TYR 9 6.672 17.104 -21.938 78 HD2 TYR 9 HD1 TYR 9 10.786 15.881 -21.709 79 HE1 TYR 9 HE2 TYR 9 7.357 19.298 -22.882 80 HE2 TYR 9 HE1 TYR 9 11.481 18.081 -22.662 81 HH TYR 9 HH TYR 9 9.104 20.573 -23.575 82 H SER 10 H SER 10 9.030 15.398 -23.410 83 HA SER 10 HA SER 10 9.013 13.671 -25.824 84 HB2 SER 10 HB2 SER 10 7.425 15.532 -26.143 85 HB3 SER 10 HB3 SER 10 8.711 16.704 -25.780 86 HG SER 10 HG SER 10 8.276 16.323 -28.031 87 H GLY 11 H GLY 11 10.784 14.621 -27.316 88 HA2 GLY 11 HA2 GLY 11 13.343 14.435 -25.783 89 HA3 GLY 11 HA3 GLY 11 13.138 14.156 -27.514 90 H ALA 12 H ALA 12 11.627 17.039 -26.748 91 HA ALA 12 HA ALA 12 13.299 18.466 -28.527 92 HB1 ALA 12 HB1 ALA 12 11.675 20.267 -28.146 93 HB2 ALA 12 HB2 ALA 12 10.844 18.711 -28.279 94 HB3 ALA 12 HB3 ALA 12 11.081 19.461 -26.680 95 H CYS 13 H CYS 13 14.300 17.949 -25.447 96 HA CYS 13 HA CYS 13 16.061 20.242 -25.384 97 HB2 CYS 13 HB2 CYS 13 13.528 20.317 -23.821 98 HB3 CYS 13 HB3 CYS 13 14.967 20.613 -22.823 99 HG CYS 13 HG CYS 13 14.330 21.991 -25.757 100 H GLY 14 H GLY 14 17.263 20.263 -23.158 101 HA2 GLY 14 HA2 GLY 14 18.482 17.724 -22.543 102 HA3 GLY 14 HA3 GLY 14 18.676 19.240 -21.652 103 H TYR 15 H TYR 15 15.950 17.051 -22.238 104 HA TYR 15 HA TYR 15 14.572 17.406 -19.824 105 HB2 TYR 15 HB2 TYR 15 13.487 16.469 -21.742 106 HB3 TYR 15 HB3 TYR 15 14.636 15.138 -21.839 107 HD1 TYR 15 HD2 TYR 15 12.080 16.547 -19.423 108 HD2 TYR 15 HD1 TYR 15 13.925 13.042 -21.130 109 HE1 TYR 15 HE2 TYR 15 10.388 15.096 -18.298 110 HE2 TYR 15 HE1 TYR 15 12.243 11.608 -19.957 111 HH TYR 15 HH TYR 15 9.427 12.843 -18.388 112 H LYS 16 H LYS 16 16.595 14.531 -20.555 113 HA LYS 16 HA LYS 16 16.049 13.194 -18.212 114 HB2 LYS 16 HB2 LYS 16 18.646 13.068 -19.800 115 HB3 LYS 16 HB3 LYS 16 18.240 11.977 -18.459 116 HG2 LYS 16 HG2 LYS 16 16.083 11.410 -19.685 117 HG3 LYS 16 HG3 LYS 16 16.737 12.278 -21.094 118 HD2 LYS 16 HD2 LYS 16 18.665 10.723 -21.156 119 HD3 LYS 16 HD3 LYS 16 18.072 9.918 -19.685 120 HE2 LYS 16 HE2 LYS 16 15.913 9.422 -20.928 121 HE3 LYS 16 HE3 LYS 16 16.691 10.025 -22.405 122 HZ1 LYS 16 HZ1 LYS 16 17.655 7.747 -20.758 123 HZ2 LYS 16 HZ2 LYS 16 18.364 8.280 -22.148 124 HZ3 LYS 16 HZ3 LYS 16 16.863 7.614 -22.189 125 HA PRO 17 HA PRO 17 19.282 15.024 -15.386 126 HB2 PRO 17 HB2 PRO 17 20.509 17.427 -15.893 127 HB3 PRO 17 HB3 PRO 17 21.168 15.853 -16.438 128 HG2 PRO 17 HG2 PRO 17 19.483 17.814 -18.028 129 HG3 PRO 17 HG3 PRO 17 21.017 17.024 -18.517 130 HD2 PRO 17 HD2 PRO 17 18.615 16.044 -19.290 131 HD3 PRO 17 HD3 PRO 17 19.951 14.941 -18.845 132 H LYS 18 H LYS 18 17.136 17.395 -17.112 133 HA LYS 18 HA LYS 18 16.666 18.811 -14.571 134 HB2 LYS 18 HB2 LYS 18 16.207 19.442 -17.297 135 HB3 LYS 18 HB3 LYS 18 14.596 19.314 -16.583 136 HG2 LYS 18 HG2 LYS 18 16.904 21.017 -15.534 137 HG3 LYS 18 HG3 LYS 18 15.534 21.611 -16.475 138 HD2 LYS 18 HD2 LYS 18 13.978 21.020 -14.651 139 HD3 LYS 18 HD3 LYS 18 15.319 20.363 -13.694 140 HE2 LYS 18 HE2 LYS 18 16.441 22.573 -13.723 141 HE3 LYS 18 HE3 LYS 18 15.071 23.253 -14.614 142 HZ1 LYS 18 HZ1 LYS 18 14.938 22.067 -11.878 143 HZ2 LYS 18 HZ2 LYS 18 13.657 22.683 -12.708 144 HZ3 LYS 18 HZ3 LYS 18 14.884 23.656 -12.225 145 H TYR 19 H TYR 19 15.110 16.273 -16.375 146 HA TYR 19 HA TYR 19 12.801 15.725 -14.807 147 HB2 TYR 19 HB2 TYR 19 13.201 14.623 -16.909 148 HB3 TYR 19 HB3 TYR 19 14.749 14.028 -16.404 149 HD1 TYR 19 HD2 TYR 19 11.169 13.802 -15.207 150 HD2 TYR 19 HD1 TYR 19 14.939 11.816 -15.871 151 HE1 TYR 19 HE2 TYR 19 10.268 11.725 -14.153 152 HE2 TYR 19 HE1 TYR 19 14.023 9.737 -14.815 153 HH TYR 19 HH TYR 19 10.717 9.642 -13.534 154 H LEU 20 H LEU 20 16.022 14.169 -14.635 155 HA LEU 20 HA LEU 20 15.741 12.994 -12.088 156 HB2 LEU 20 HB2 LEU 20 18.062 13.870 -13.694 157 HB3 LEU 20 HB3 LEU 20 18.369 13.770 -11.984 158 HG LEU 20 HG LEU 20 17.438 11.449 -11.978 159 HD11 LEU 20 HD11 LEU 20 16.250 11.411 -14.094 160 HD12 LEU 20 HD12 LEU 20 17.495 10.157 -14.063 161 HD13 LEU 20 HD13 LEU 20 17.776 11.652 -14.986 162 HD21 LEU 20 HD21 LEU 20 19.924 11.972 -13.671 163 HD22 LEU 20 HD22 LEU 20 19.554 10.461 -12.804 164 HD23 LEU 20 HD23 LEU 20 19.860 11.944 -11.896 165 H GLN 21 H GLN 21 16.737 16.440 -12.689 166 HA GLN 21 HA GLN 21 17.413 16.942 -10.049 167 HB2 GLN 21 HB2 GLN 21 17.718 18.426 -12.075 168 HB3 GLN 21 HB3 GLN 21 16.010 18.888 -11.976 169 HG2 GLN 21 HG2 GLN 21 17.869 19.174 -9.637 170 HG3 GLN 21 HG3 GLN 21 17.866 20.393 -10.921 171 HE21 GLN 21 HE21 GLN 21 15.930 19.136 -8.200 172 HE22 GLN 21 HE22 GLN 21 14.892 20.560 -8.196 173 H LEU 22 H LEU 22 14.170 17.168 -11.512 174 HA LEU 22 HA LEU 22 12.762 17.783 -9.043 175 HB2 LEU 22 HB2 LEU 22 11.897 18.098 -11.435 176 HB3 LEU 22 HB3 LEU 22 11.745 16.341 -11.532 177 HG LEU 22 HG LEU 22 10.197 16.504 -9.472 178 HD11 LEU 22 HD11 LEU 22 9.080 18.658 -9.123 179 HD12 LEU 22 HD12 LEU 22 10.134 19.430 -10.334 180 HD13 LEU 22 HD13 LEU 22 10.809 18.825 -8.804 181 HD21 LEU 22 HD21 LEU 22 9.327 17.817 -12.075 182 HD22 LEU 22 HD22 LEU 22 8.241 17.164 -10.827 183 HD23 LEU 22 HD23 LEU 22 9.323 16.078 -11.710 184 H LYS 23 H LYS 23 13.559 14.772 -10.767 185 HA LYS 23 HA LYS 23 11.958 13.089 -9.050 186 HB2 LYS 23 HB2 LYS 23 12.969 12.733 -11.551 187 HB3 LYS 23 HB3 LYS 23 14.189 11.852 -10.599 188 HG2 LYS 23 HG2 LYS 23 11.429 11.231 -9.935 189 HG3 LYS 23 HG3 LYS 23 11.919 10.749 -11.543 190 HD2 LYS 23 HD2 LYS 23 13.735 10.080 -9.202 191 HD3 LYS 23 HD3 LYS 23 12.293 9.144 -9.431 192 HE2 LYS 23 HE2 LYS 23 13.104 9.006 -11.962 193 HE3 LYS 23 HE3 LYS 23 14.671 9.355 -11.185 194 HZ1 LYS 23 HZ1 LYS 23 14.384 6.955 -11.123 195 HZ2 LYS 23 HZ2 LYS 23 12.802 7.116 -10.625 196 HZ3 LYS 23 HZ3 LYS 23 14.008 7.489 -9.610 197 H GLU 24 H GLU 24 15.494 13.299 -9.325 198 HA GLU 24 HA GLU 24 16.455 11.869 -7.143 199 HB2 GLU 24 HB2 GLU 24 17.780 13.256 -8.801 200 HB3 GLU 24 HB3 GLU 24 17.249 14.708 -7.967 201 HG2 GLU 24 HG2 GLU 24 18.598 12.648 -6.257 202 HG3 GLU 24 HG3 GLU 24 19.595 13.422 -7.494 203 H LYS 25 H LYS 25 15.152 15.221 -6.954 204 HA LYS 25 HA LYS 25 15.499 15.290 -4.097 205 HB2 LYS 25 HB2 LYS 25 15.056 17.225 -6.019 206 HB3 LYS 25 HB3 LYS 25 13.440 17.093 -5.339 207 HG2 LYS 25 HG2 LYS 25 14.755 18.849 -4.232 208 HG3 LYS 25 HG3 LYS 25 14.300 17.565 -3.093 209 HD2 LYS 25 HD2 LYS 25 16.656 18.514 -2.865 210 HD3 LYS 25 HD3 LYS 25 16.535 16.751 -2.968 211 HE2 LYS 25 HE2 LYS 25 16.998 16.883 -5.420 212 HE3 LYS 25 HE3 LYS 25 17.257 18.626 -5.278 213 HZ1 LYS 25 HZ1 LYS 25 18.747 16.408 -4.014 214 HZ2 LYS 25 HZ2 LYS 25 19.186 18.017 -3.782 215 HZ3 LYS 25 HZ3 LYS 25 19.241 17.176 -5.260 216 H LEU 26 H LEU 26 12.735 14.431 -6.064 217 HA LEU 26 HA LEU 26 10.804 14.125 -3.972 218 HB2 LEU 26 HB2 LEU 26 11.092 13.553 -6.862 219 HB3 LEU 26 HB3 LEU 26 10.352 12.215 -6.007 220 HG LEU 26 HG LEU 26 8.772 13.890 -4.969 221 HD11 LEU 26 HD11 LEU 26 9.750 15.618 -7.284 222 HD12 LEU 26 HD12 LEU 26 10.040 15.950 -5.568 223 HD13 LEU 26 HD13 LEU 26 8.385 15.991 -6.197 224 HD21 LEU 26 HD21 LEU 26 8.031 12.362 -6.697 225 HD22 LEU 26 HD22 LEU 26 8.710 13.402 -7.973 226 HD23 LEU 26 HD23 LEU 26 7.320 13.953 -7.009 227 H GLU 27 H GLU 27 12.786 11.689 -5.599 228 HA GLU 27 HA GLU 27 12.361 9.545 -3.768 229 HB2 GLU 27 HB2 GLU 27 14.179 10.208 -6.027 230 HB3 GLU 27 HB3 GLU 27 14.996 9.278 -4.780 231 HG2 GLU 27 HG2 GLU 27 13.225 7.584 -4.831 232 HG3 GLU 27 HG3 GLU 27 12.374 8.475 -6.086 233 H HIS 28 H HIS 28 14.843 12.120 -3.561 234 HA HIS 28 HA HIS 28 16.094 11.109 -1.206 235 HB2 HIS 28 HB2 HIS 28 16.973 12.993 -2.504 236 HB3 HIS 28 HB3 HIS 28 15.582 13.980 -2.064 237 HD1 HIS 28 HD1 HIS 28 16.698 12.210 0.979 238 HD2 HIS 28 HD2 HIS 28 17.442 15.742 -1.115 239 HE1 HIS 28 HE1 HIS 28 18.031 13.718 2.571 240 H GLU 29 H GLU 29 13.170 13.030 -1.628 241 HA GLU 29 HA GLU 29 12.726 13.723 1.101 242 HB2 GLU 29 HB2 GLU 29 11.573 14.420 -1.269 243 HB3 GLU 29 HB3 GLU 29 10.373 13.272 -0.737 244 HG2 GLU 29 HG2 GLU 29 9.550 15.248 0.117 245 HG3 GLU 29 HG3 GLU 29 10.286 14.451 1.489 246 H PHE 30 H PHE 30 11.453 11.163 -0.882 247 HA PHE 30 HA PHE 30 10.806 9.443 1.486 248 HB2 PHE 30 HB2 PHE 30 8.522 8.973 0.159 249 HB3 PHE 30 HB3 PHE 30 8.719 10.139 1.442 250 HD1 PHE 30 HD1 PHE 30 9.207 10.056 -2.287 251 HD2 PHE 30 HD2 PHE 30 7.815 12.273 1.126 252 HE1 PHE 30 HE1 PHE 30 8.588 11.928 -3.769 253 HE2 PHE 30 HE2 PHE 30 7.211 14.180 -0.386 254 HZ PHE 30 HZ PHE 30 7.626 14.021 -2.805 255 HA PRO 31 HA PRO 31 12.899 7.207 -1.983 256 HB2 PRO 31 HB2 PRO 31 14.740 5.794 -0.460 257 HB3 PRO 31 HB3 PRO 31 15.000 7.432 -1.114 258 HG2 PRO 31 HG2 PRO 31 14.092 6.623 1.661 259 HG3 PRO 31 HG3 PRO 31 15.298 7.873 1.208 260 HD2 PRO 31 HD2 PRO 31 12.738 8.503 1.876 261 HD3 PRO 31 HD3 PRO 31 13.618 9.404 0.606 262 H GLY 32 H GLY 32 12.358 5.272 -2.742 263 HA2 GLY 32 HA2 GLY 32 11.448 3.193 -3.042 264 HA3 GLY 32 HA3 GLY 32 12.013 2.821 -1.411 265 H CYS 33 H CYS 33 10.096 4.970 -0.371 266 HA CYS 33 HA CYS 33 7.607 3.545 -0.312 267 HB2 CYS 33 HB2 CYS 33 7.999 6.462 0.321 268 HB3 CYS 33 HB3 CYS 33 6.799 5.329 0.966 269 HG CYS 33 HG CYS 33 10.088 5.205 1.506 270 H LEU 34 H LEU 34 9.182 5.708 -2.501 271 HA LEU 34 HA LEU 34 6.749 5.871 -4.226 272 HB2 LEU 34 HB2 LEU 34 9.023 7.763 -3.678 273 HB3 LEU 34 HB3 LEU 34 8.417 7.612 -5.328 274 HG LEU 34 HG LEU 34 7.597 9.503 -3.860 275 HD11 LEU 34 HD11 LEU 34 5.310 9.374 -4.912 276 HD12 LEU 34 HD12 LEU 34 5.776 7.750 -5.501 277 HD13 LEU 34 HD13 LEU 34 6.694 9.169 -6.001 278 HD21 LEU 34 HD21 LEU 34 5.725 7.374 -2.806 279 HD22 LEU 34 HD22 LEU 34 5.586 9.123 -2.531 280 HD23 LEU 34 HD23 LEU 34 6.971 8.227 -1.875 281 H ASP 35 H ASP 35 6.909 5.238 -6.097 282 HA ASP 35 HA ASP 35 9.463 4.891 -7.615 283 HB2 ASP 35 HB2 ASP 35 8.118 3.004 -8.061 284 HB3 ASP 35 HB3 ASP 35 6.669 3.939 -7.897 285 H ILE 36 H ILE 36 9.759 6.249 -9.146 286 HA ILE 36 HA ILE 36 7.743 7.865 -10.390 287 HB ILE 36 HB ILE 36 10.310 9.181 -9.853 288 HG12 ILE 36 HG12 ILE 36 8.599 10.781 -8.328 289 HG13 ILE 36 HG13 ILE 36 8.312 9.140 -7.780 290 HG21 ILE 36 HG21 ILE 36 9.145 11.284 -10.533 291 HG22 ILE 36 HG22 ILE 36 9.108 10.036 -11.780 292 HG23 ILE 36 HG23 ILE 36 7.673 10.340 -10.790 293 HD11 ILE 36 HD11 ILE 36 10.164 10.056 -6.492 294 HD12 ILE 36 HD12 ILE 36 10.820 8.840 -7.591 295 HD13 ILE 36 HD13 ILE 36 11.046 10.557 -7.967 296 H CYS 37 H CYS 37 8.001 7.416 -12.330 297 HA CYS 37 HA CYS 37 10.639 7.056 -13.750 298 HB2 CYS 37 HB2 CYS 37 8.006 5.661 -14.205 299 HB3 CYS 37 HB3 CYS 37 9.320 5.650 -15.395 300 HG CYS 37 HG CYS 37 9.360 4.551 -12.220 301 H GLY 38 H GLY 38 10.349 7.496 -16.222 302 HA2 GLY 38 HA2 GLY 38 8.515 9.695 -16.865 303 HA3 GLY 38 HA3 GLY 38 10.225 10.143 -16.794 304 H GLU 39 H GLU 39 8.403 10.146 -19.071 305 HA GLU 39 HA GLU 39 9.277 7.897 -20.807 306 HB2 GLU 39 HB2 GLU 39 7.449 7.232 -19.467 307 HB3 GLU 39 HB3 GLU 39 6.466 8.642 -19.937 308 HG2 GLU 39 HG2 GLU 39 6.410 7.811 -22.262 309 HG3 GLU 39 HG3 GLU 39 7.498 6.485 -21.836 310 H GLY 40 H GLY 40 10.247 9.085 -22.173 311 HA2 GLY 40 HA2 GLY 40 9.020 11.526 -23.406 312 HA3 GLY 40 HA3 GLY 40 10.703 11.058 -23.557 313 H THR 41 H THR 41 7.496 10.784 -24.861 314 HA THR 41 HA THR 41 8.455 8.981 -27.042 315 HB THR 41 HB THR 41 6.912 7.841 -25.606 316 HG1 THR 41 HG1 THR 41 5.524 7.193 -27.267 317 HG21 THR 41 HG21 THR 41 4.541 8.355 -25.516 318 HG22 THR 41 HG22 THR 41 4.763 9.800 -26.522 319 HG23 THR 41 HG23 THR 41 5.442 9.736 -24.879 320 HA PRO 42 HA PRO 42 7.696 12.500 -29.579 321 HB2 PRO 42 HB2 PRO 42 8.052 11.473 -32.085 322 HB3 PRO 42 HB3 PRO 42 9.389 11.608 -30.900 323 HG2 PRO 42 HG2 PRO 42 7.692 9.171 -31.524 324 HG3 PRO 42 HG3 PRO 42 9.479 9.277 -31.410 325 HD2 PRO 42 HD2 PRO 42 7.910 8.427 -29.337 326 HD3 PRO 42 HD3 PRO 42 9.412 9.353 -29.052 327 H GLN 43 H GLN 43 6.032 13.528 -30.577 328 HA GLN 43 HA GLN 43 3.707 11.989 -31.668 329 HB2 GLN 43 HB2 GLN 43 3.539 14.182 -29.560 330 HB3 GLN 43 HB3 GLN 43 2.153 13.533 -30.446 331 HG2 GLN 43 HG2 GLN 43 3.939 11.835 -28.636 332 HG3 GLN 43 HG3 GLN 43 2.479 12.638 -28.119 333 HE21 GLN 43 HE21 GLN 43 3.684 9.961 -30.218 334 HE22 GLN 43 HE22 GLN 43 2.055 9.241 -30.253 335 H VAL 44 H VAL 44 4.328 15.415 -31.044 336 HA VAL 44 HA VAL 44 4.964 16.011 -33.812 337 HB VAL 44 HB VAL 44 2.533 15.929 -34.027 338 HG11 VAL 44 HG11 VAL 44 1.047 17.531 -33.004 339 HG12 VAL 44 HG12 VAL 44 1.859 16.613 -31.734 340 HG13 VAL 44 HG13 VAL 44 2.372 18.283 -32.106 341 HG21 VAL 44 HG21 VAL 44 2.197 18.037 -35.157 342 HG22 VAL 44 HG22 VAL 44 3.548 18.784 -34.279 343 HG23 VAL 44 HG23 VAL 44 3.852 17.474 -35.437 344 H THR 45 H THR 45 4.158 17.272 -30.621 345 HA THR 45 HA THR 45 6.737 18.703 -30.642 346 HB THR 45 HB THR 45 5.311 20.486 -31.228 347 HG1 THR 45 HG1 THR 45 5.820 21.824 -29.562 348 HG21 THR 45 HG21 THR 45 3.102 19.635 -30.271 349 HG22 THR 45 HG22 THR 45 3.468 21.344 -30.027 350 HG23 THR 45 HG23 THR 45 3.668 20.222 -28.685 351 H GLY 46 H GLY 46 4.083 18.559 -28.200 352 HA2 GLY 46 HA2 GLY 46 4.486 16.261 -26.874 353 HA3 GLY 46 HA3 GLY 46 5.866 17.215 -26.294 354 H PHE 47 H PHE 47 4.244 16.354 -24.420 355 HA PHE 47 HA PHE 47 3.230 18.835 -23.174 356 HB2 PHE 47 HB2 PHE 47 1.236 17.516 -22.332 357 HB3 PHE 47 HB3 PHE 47 1.177 18.200 -23.954 358 HD1 PHE 47 HD1 PHE 47 1.454 14.994 -22.045 359 HD2 PHE 47 HD2 PHE 47 0.967 16.844 -25.921 360 HE1 PHE 47 HE1 PHE 47 0.791 12.818 -23.006 361 HE2 PHE 47 HE2 PHE 47 0.300 14.644 -26.870 362 HZ PHE 47 HZ PHE 47 0.214 12.635 -25.416 363 H PHE 48 H PHE 48 4.075 18.900 -21.221 364 HA PHE 48 HA PHE 48 5.483 16.597 -20.027 365 HB2 PHE 48 HB2 PHE 48 6.409 19.038 -20.272 366 HB3 PHE 48 HB3 PHE 48 5.330 19.438 -18.962 367 HD1 PHE 48 HD1 PHE 48 5.521 17.876 -16.791 368 HD2 PHE 48 HD2 PHE 48 8.620 18.384 -19.745 369 HE1 PHE 48 HE1 PHE 48 7.232 17.244 -15.111 370 HE2 PHE 48 HE2 PHE 48 10.312 17.742 -18.076 371 HZ PHE 48 HZ PHE 48 9.634 17.194 -15.740 372 H GLU 49 H GLU 49 3.797 15.214 -19.078 373 HA GLU 49 HA GLU 49 2.124 16.667 -17.060 374 HB2 GLU 49 HB2 GLU 49 1.359 14.377 -18.911 375 HB3 GLU 49 HB3 GLU 49 0.418 15.067 -17.612 376 HG2 GLU 49 HG2 GLU 49 0.745 17.326 -18.838 377 HG3 GLU 49 HG3 GLU 49 1.277 16.372 -20.211 378 H VAL 50 H VAL 50 1.752 15.751 -15.047 379 HA VAL 50 HA VAL 50 3.383 13.299 -14.447 380 HB VAL 50 HB VAL 50 3.018 15.626 -12.568 381 HG11 VAL 50 HG11 VAL 50 4.806 14.562 -11.275 382 HG12 VAL 50 HG12 VAL 50 3.414 13.490 -11.423 383 HG13 VAL 50 HG13 VAL 50 4.848 13.215 -12.425 384 HG21 VAL 50 HG21 VAL 50 5.388 14.890 -14.322 385 HG22 VAL 50 HG22 VAL 50 4.461 16.381 -14.410 386 HG23 VAL 50 HG23 VAL 50 5.463 16.065 -12.989 387 H THR 51 H THR 51 2.239 11.663 -13.732 388 HA THR 51 HA THR 51 -0.308 12.058 -12.383 389 HB THR 51 HB THR 51 -0.458 9.637 -13.293 390 HG1 THR 51 HG1 THR 51 0.784 9.540 -15.330 391 HG21 THR 51 HG21 THR 51 -0.362 11.934 -15.286 392 HG22 THR 51 HG22 THR 51 -1.765 11.483 -14.288 393 HG23 THR 51 HG23 THR 51 -1.184 10.380 -15.544 394 H VAL 52 H VAL 52 -0.569 11.096 -10.352 395 HA VAL 52 HA VAL 52 1.439 9.118 -9.392 396 HB VAL 52 HB VAL 52 1.849 11.124 -8.233 397 HG11 VAL 52 HG11 VAL 52 0.216 12.335 -6.856 398 HG12 VAL 52 HG12 VAL 52 -0.215 12.403 -8.566 399 HG13 VAL 52 HG13 VAL 52 -1.094 11.311 -7.470 400 HG21 VAL 52 HG21 VAL 52 1.812 9.011 -6.899 401 HG22 VAL 52 HG22 VAL 52 1.470 10.449 -5.932 402 HG23 VAL 52 HG23 VAL 52 0.151 9.371 -6.396 403 H ALA 53 H ALA 53 0.633 7.240 -8.843 404 HA ALA 53 HA ALA 53 -0.830 5.510 -9.202 405 HB1 ALA 53 HB1 ALA 53 -2.477 7.113 -7.216 406 HB2 ALA 53 HB2 ALA 53 -2.558 5.360 -7.483 407 HB3 ALA 53 HB3 ALA 53 -1.084 6.087 -6.812 408 H GLY 54 H GLY 54 -1.370 7.853 -11.028 409 HA2 GLY 54 HA2 GLY 54 -2.728 7.687 -13.065 410 HA3 GLY 54 HA3 GLY 54 -4.045 7.034 -12.087 411 H LYS 55 H LYS 55 -3.125 9.406 -10.124 412 HA LYS 55 HA LYS 55 -5.024 11.419 -11.123 413 HB2 LYS 55 HB2 LYS 55 -3.411 11.085 -8.652 414 HB3 LYS 55 HB3 LYS 55 -4.016 12.682 -9.018 415 HG2 LYS 55 HG2 LYS 55 -5.980 10.426 -9.182 416 HG3 LYS 55 HG3 LYS 55 -5.355 10.823 -7.579 417 HD2 LYS 55 HD2 LYS 55 -7.467 11.966 -8.042 418 HD3 LYS 55 HD3 LYS 55 -6.170 13.091 -7.686 419 HE2 LYS 55 HE2 LYS 55 -6.715 12.469 -10.589 420 HE3 LYS 55 HE3 LYS 55 -7.955 13.361 -9.714 421 HZ1 LYS 55 HZ1 LYS 55 -6.291 15.037 -9.125 422 HZ2 LYS 55 HZ2 LYS 55 -6.414 14.892 -10.750 423 HZ3 LYS 55 HZ3 LYS 55 -5.128 14.281 -10.001 424 H LEU 56 H LEU 56 -4.252 12.492 -12.917 425 HA LEU 56 HA LEU 56 -1.693 13.757 -13.087 426 HB2 LEU 56 HB2 LEU 56 -3.047 13.741 -14.915 427 HB3 LEU 56 HB3 LEU 56 -4.439 14.513 -14.124 428 HG LEU 56 HG LEU 56 -1.777 15.914 -14.584 429 HD11 LEU 56 HD11 LEU 56 -4.196 15.850 -16.450 430 HD12 LEU 56 HD12 LEU 56 -2.628 15.068 -16.758 431 HD13 LEU 56 HD13 LEU 56 -2.725 16.820 -16.676 432 HD21 LEU 56 HD21 LEU 56 -3.231 17.961 -14.641 433 HD22 LEU 56 HD22 LEU 56 -3.294 17.156 -13.079 434 HD23 LEU 56 HD23 LEU 56 -4.631 16.944 -14.228 435 H VAL 57 H VAL 57 -0.785 15.156 -11.983 436 HA VAL 57 HA VAL 57 -2.313 17.122 -10.243 437 HB VAL 57 HB VAL 57 0.332 15.817 -9.520 438 HG11 VAL 57 HG11 VAL 57 0.416 18.128 -8.724 439 HG12 VAL 57 HG12 VAL 57 -1.238 18.009 -8.076 440 HG13 VAL 57 HG13 VAL 57 0.091 17.082 -7.350 441 HG21 VAL 57 HG21 VAL 57 -1.645 14.391 -9.043 442 HG22 VAL 57 HG22 VAL 57 -0.922 14.979 -7.549 443 HG23 VAL 57 HG23 VAL 57 -2.410 15.734 -8.165 444 H HIS 58 H HIS 58 0.219 16.567 -12.583 445 HA HIS 58 HA HIS 58 0.466 19.518 -12.885 446 HB2 HIS 58 HB2 HIS 58 2.505 18.372 -11.924 447 HB3 HIS 58 HB3 HIS 58 2.538 17.432 -13.426 448 HD1 HIS 58 HD1 HIS 58 2.401 21.308 -12.901 449 HD2 HIS 58 HD2 HIS 58 3.829 18.191 -15.376 450 HE1 HIS 58 HE1 HIS 58 3.202 22.321 -15.107 451 H SER 59 H SER 59 0.668 20.254 -14.856 452 HA SER 59 HA SER 59 1.151 18.707 -17.202 453 HB2 SER 59 HB2 SER 59 -1.412 18.620 -16.891 454 HB3 SER 59 HB3 SER 59 -1.363 20.354 -17.106 455 HG SER 59 HG SER 59 -1.161 18.462 -19.040 456 H LYS 60 H LYS 60 2.539 20.117 -18.394 457 HA LYS 60 HA LYS 60 2.196 23.015 -18.272 458 HB2 LYS 60 HB2 LYS 60 3.644 21.069 -20.073 459 HB3 LYS 60 HB3 LYS 60 3.358 22.698 -20.681 460 HG2 LYS 60 HG2 LYS 60 4.548 22.243 -17.933 461 HG3 LYS 60 HG3 LYS 60 5.546 22.200 -19.393 462 HD2 LYS 60 HD2 LYS 60 5.175 24.475 -19.904 463 HD3 LYS 60 HD3 LYS 60 3.849 24.636 -18.707 464 HE2 LYS 60 HE2 LYS 60 5.436 24.026 -16.910 465 HE3 LYS 60 HE3 LYS 60 6.710 23.878 -18.074 466 HZ1 LYS 60 HZ1 LYS 60 5.372 26.477 -17.442 467 HZ2 LYS 60 HZ2 LYS 60 6.695 26.276 -18.393 468 HZ3 LYS 60 HZ3 LYS 60 6.779 26.023 -16.785 469 H LYS 61 H LYS 61 0.709 20.566 -20.448 470 HA LYS 61 HA LYS 61 -0.549 22.680 -22.025 471 HB2 LYS 61 HB2 LYS 61 -1.811 21.055 -23.189 472 HB3 LYS 61 HB3 LYS 61 -0.113 20.585 -23.098 473 HG2 LYS 61 HG2 LYS 61 -0.592 18.822 -21.542 474 HG3 LYS 61 HG3 LYS 61 -2.262 19.377 -21.296 475 HD2 LYS 61 HD2 LYS 61 -2.924 18.754 -23.511 476 HD3 LYS 61 HD3 LYS 61 -1.256 18.608 -24.057 477 HE2 LYS 61 HE2 LYS 61 -2.141 16.386 -23.866 478 HE3 LYS 61 HE3 LYS 61 -0.912 16.633 -22.629 479 HZ1 LYS 61 HZ1 LYS 61 -2.671 17.012 -21.015 480 HZ2 LYS 61 HZ2 LYS 61 -2.606 15.564 -21.572 481 HZ3 LYS 61 HZ3 LYS 61 -3.835 16.559 -22.137 482 H ARG 62 H ARG 62 -1.702 21.149 -19.057 483 HA ARG 62 HA ARG 62 -4.300 22.495 -19.295 484 HB2 ARG 62 HB2 ARG 62 -4.900 21.301 -17.548 485 HB3 ARG 62 HB3 ARG 62 -3.498 20.329 -17.938 486 HG2 ARG 62 HG2 ARG 62 -3.102 20.503 -15.718 487 HG3 ARG 62 HG3 ARG 62 -2.324 22.018 -16.195 488 HD2 ARG 62 HD2 ARG 62 -4.866 22.888 -15.792 489 HD3 ARG 62 HD3 ARG 62 -4.880 21.486 -14.728 490 HE ARG 62 HE ARG 62 -2.680 22.501 -13.781 491 HH11 ARG 62 HH11 ARG 62 -4.476 24.814 -15.500 492 HH12 ARG 62 HH12 ARG 62 -4.044 26.082 -14.392 493 HH21 ARG 62 HH21 ARG 62 -2.394 23.986 -12.207 494 HH22 ARG 62 HH22 ARG 62 -2.976 25.610 -12.526 495 H GLY 63 H GLY 63 -1.255 23.591 -18.585 496 HA2 GLY 63 HA2 GLY 63 -0.543 25.721 -18.011 497 HA3 GLY 63 HA3 GLY 63 -2.220 26.240 -17.731 498 H ASP 64 H ASP 64 -0.426 23.519 -16.261 499 HA ASP 64 HA ASP 64 -0.691 24.744 -13.553 500 HB2 ASP 64 HB2 ASP 64 -0.923 22.210 -14.172 501 HB3 ASP 64 HB3 ASP 64 0.833 22.243 -14.252 502 H GLY 65 H GLY 65 1.776 24.255 -15.999 503 HA2 GLY 65 HA2 GLY 65 3.876 25.136 -16.244 504 HA3 GLY 65 HA3 GLY 65 3.587 26.198 -14.867 505 H TYR 66 H TYR 66 6.065 24.819 -15.312 506 HA TYR 66 HA TYR 66 6.302 22.262 -14.010 507 HB2 TYR 66 HB2 TYR 66 8.449 24.381 -14.502 508 HB3 TYR 66 HB3 TYR 66 8.692 22.669 -14.232 509 HD1 TYR 66 HD1 TYR 66 7.000 21.243 -16.063 510 HD2 TYR 66 HD2 TYR 66 9.387 24.816 -16.578 511 HE1 TYR 66 HE1 TYR 66 7.337 20.711 -18.462 512 HE2 TYR 66 HE2 TYR 66 9.684 24.268 -18.995 513 HH TYR 66 HH TYR 66 9.331 22.614 -20.621 514 H VAL 67 H VAL 67 8.353 22.387 -12.363 515 HA VAL 67 HA VAL 67 7.985 24.337 -10.212 516 HB VAL 67 HB VAL 67 9.915 23.747 -9.326 517 HG11 VAL 67 HG11 VAL 67 8.444 21.192 -10.224 518 HG12 VAL 67 HG12 VAL 67 9.297 21.409 -8.701 519 HG13 VAL 67 HG13 VAL 67 7.818 22.345 -9.048 520 HG21 VAL 67 HG21 VAL 67 11.491 23.078 -11.143 521 HG22 VAL 67 HG22 VAL 67 11.299 21.713 -10.056 522 HG23 VAL 67 HG23 VAL 67 10.425 21.733 -11.602 523 H ASP 68 H ASP 68 7.618 25.718 -11.865 524 HA ASP 68 HA ASP 68 9.587 27.464 -13.138 525 HB2 ASP 68 HB2 ASP 68 6.756 27.827 -12.265 526 HB3 ASP 68 HB3 ASP 68 7.652 28.937 -13.260 527 H THR 69 H THR 69 8.266 26.849 -9.905 528 HA THR 69 HA THR 69 9.952 28.972 -8.794 529 HB THR 69 HB THR 69 7.351 28.873 -7.458 530 HG1 THR 69 HG1 THR 69 7.560 30.141 -9.964 531 HG21 THR 69 HG21 THR 69 9.100 30.488 -6.815 532 HG22 THR 69 HG22 THR 69 7.651 31.328 -7.388 533 HG23 THR 69 HG23 THR 69 9.066 31.187 -8.450 534 H GLU 70 H GLU 70 10.271 28.797 -6.673 535 HA GLU 70 HA GLU 70 10.858 26.407 -5.373 536 HB2 GLU 70 HB2 GLU 70 11.390 28.984 -5.092 537 HB3 GLU 70 HB3 GLU 70 10.014 29.056 -4.063 538 HG2 GLU 70 HG2 GLU 70 12.302 27.107 -3.543 539 HG3 GLU 70 HG3 GLU 70 12.342 28.789 -2.990 540 H SER 71 H SER 71 8.254 28.538 -4.782 541 HA SER 71 HA SER 71 6.744 26.798 -3.035 542 HB2 SER 71 HB2 SER 71 6.506 29.430 -3.878 543 HB3 SER 71 HB3 SER 71 5.059 28.673 -4.543 544 HG SER 71 HG SER 71 4.588 29.280 -2.430 545 H LYS 72 H LYS 72 6.900 26.837 -6.538 546 HA LYS 72 HA LYS 72 4.486 25.243 -6.803 547 HB2 LYS 72 HB2 LYS 72 5.596 26.841 -8.576 548 HB3 LYS 72 HB3 LYS 72 6.464 25.373 -9.040 549 HG2 LYS 72 HG2 LYS 72 4.606 24.609 -10.139 550 HG3 LYS 72 HG3 LYS 72 3.691 24.622 -8.660 551 HD2 LYS 72 HD2 LYS 72 2.504 26.013 -10.207 552 HD3 LYS 72 HD3 LYS 72 3.213 27.064 -8.978 553 HE2 LYS 72 HE2 LYS 72 3.689 28.193 -10.968 554 HE3 LYS 72 HE3 LYS 72 5.206 27.374 -10.616 555 HZ1 LYS 72 HZ1 LYS 72 3.151 26.280 -12.481 556 HZ2 LYS 72 HZ2 LYS 72 4.616 25.622 -12.157 557 HZ3 LYS 72 HZ3 LYS 72 4.551 27.038 -12.954 558 H PHE 73 H PHE 73 7.932 24.614 -6.656 559 HA PHE 73 HA PHE 73 7.884 21.728 -6.987 560 HB2 PHE 73 HB2 PHE 73 9.971 22.982 -7.095 561 HB3 PHE 73 HB3 PHE 73 9.716 23.653 -5.514 562 HD1 PHE 73 HD1 PHE 73 9.787 20.131 -6.940 563 HD2 PHE 73 HD2 PHE 73 11.146 22.877 -3.890 564 HE1 PHE 73 HE1 PHE 73 11.153 18.339 -5.926 565 HE2 PHE 73 HE2 PHE 73 12.479 21.057 -2.867 566 HZ PHE 73 HZ PHE 73 12.454 18.790 -3.864 567 H ARG 74 H ARG 74 7.654 23.749 -4.105 568 HA ARG 74 HA ARG 74 7.122 21.730 -2.216 569 HB2 ARG 74 HB2 ARG 74 7.448 24.392 -2.069 570 HB3 ARG 74 HB3 ARG 74 5.676 24.396 -2.095 571 HG2 ARG 74 HG2 ARG 74 5.929 22.653 -0.121 572 HG3 ARG 74 HG3 ARG 74 7.581 23.256 -0.035 573 HD2 ARG 74 HD2 ARG 74 4.976 24.598 0.619 574 HD3 ARG 74 HD3 ARG 74 6.481 24.601 1.531 575 HE ARG 74 HE ARG 74 5.572 26.625 -0.252 576 HH11 ARG 74 HH11 ARG 74 8.706 25.082 0.330 577 HH12 ARG 74 HH12 ARG 74 9.503 26.372 -0.515 578 HH21 ARG 74 HH21 ARG 74 6.733 28.265 -1.115 579 HH22 ARG 74 HH22 ARG 74 8.487 28.161 -0.994 580 H LYS 75 H LYS 75 4.763 23.189 -4.439 581 HA LYS 75 HA LYS 75 2.439 22.100 -3.154 582 HB2 LYS 75 HB2 LYS 75 2.145 23.983 -4.530 583 HB3 LYS 75 HB3 LYS 75 3.081 23.334 -5.861 584 HG2 LYS 75 HG2 LYS 75 0.387 22.130 -5.124 585 HG3 LYS 75 HG3 LYS 75 0.538 23.607 -6.066 586 HD2 LYS 75 HD2 LYS 75 2.163 22.183 -7.592 587 HD3 LYS 75 HD3 LYS 75 1.291 20.800 -6.883 588 HE2 LYS 75 HE2 LYS 75 -0.887 21.878 -7.529 589 HE3 LYS 75 HE3 LYS 75 0.010 23.219 -8.243 590 HZ1 LYS 75 HZ1 LYS 75 0.941 21.626 -9.888 591 HZ2 LYS 75 HZ2 LYS 75 -0.610 21.779 -10.000 592 HZ3 LYS 75 HZ3 LYS 75 -0.039 20.426 -9.288 593 H LEU 76 H LEU 76 4.794 20.732 -5.257 594 HA LEU 76 HA LEU 76 3.166 18.285 -5.618 595 HB2 LEU 76 HB2 LEU 76 4.765 19.617 -7.387 596 HB3 LEU 76 HB3 LEU 76 6.023 18.666 -6.622 597 HG LEU 76 HG LEU 76 5.305 17.732 -8.736 598 HD11 LEU 76 HD11 LEU 76 4.893 15.422 -8.128 599 HD12 LEU 76 HD12 LEU 76 4.360 15.922 -6.512 600 HD13 LEU 76 HD13 LEU 76 6.050 16.148 -6.995 601 HD21 LEU 76 HD21 LEU 76 3.100 16.796 -9.128 602 HD22 LEU 76 HD22 LEU 76 2.973 18.528 -8.762 603 HD23 LEU 76 HD23 LEU 76 2.555 17.312 -7.524 604 H VAL 77 H VAL 77 6.163 19.310 -4.138 605 HA VAL 77 HA VAL 77 6.840 16.664 -3.125 606 HB VAL 77 HB VAL 77 7.675 19.443 -2.201 607 HG11 VAL 77 HG11 VAL 77 8.702 16.748 -1.239 608 HG12 VAL 77 HG12 VAL 77 9.508 18.292 -0.937 609 HG13 VAL 77 HG13 VAL 77 7.919 17.994 -0.230 610 HG21 VAL 77 HG21 VAL 77 8.515 18.677 -4.418 611 HG22 VAL 77 HG22 VAL 77 9.799 18.778 -3.202 612 HG23 VAL 77 HG23 VAL 77 9.148 17.196 -3.651 613 H THR 78 H THR 78 4.971 19.333 -1.718 614 HA THR 78 HA THR 78 4.485 17.902 0.733 615 HB THR 78 HB THR 78 3.073 20.322 -0.475 616 HG1 THR 78 HG1 THR 78 4.204 21.321 1.255 617 HG21 THR 78 HG21 THR 78 1.496 19.273 1.096 618 HG22 THR 78 HG22 THR 78 2.177 20.733 1.812 619 HG23 THR 78 HG23 THR 78 2.775 19.137 2.323 620 H ALA 79 H ALA 79 2.870 17.970 -2.397 621 HA ALA 79 HA ALA 79 0.505 16.706 -1.227 622 HB1 ALA 79 HB1 ALA 79 1.312 17.143 -4.146 623 HB2 ALA 79 HB2 ALA 79 -0.277 16.562 -3.605 624 HB3 ALA 79 HB3 ALA 79 0.249 18.202 -3.188 625 H ILE 80 H ILE 80 3.416 15.625 -2.658 626 HA ILE 80 HA ILE 80 2.491 12.808 -2.858 627 HB ILE 80 HB ILE 80 5.232 14.055 -3.168 628 HG12 ILE 80 HG12 ILE 80 3.602 14.587 -4.978 629 HG13 ILE 80 HG13 ILE 80 5.033 13.708 -5.516 630 HG21 ILE 80 HG21 ILE 80 4.331 11.158 -3.519 631 HG22 ILE 80 HG22 ILE 80 5.876 11.801 -4.127 632 HG23 ILE 80 HG23 ILE 80 5.544 11.764 -2.391 633 HD11 ILE 80 HD11 ILE 80 3.692 11.647 -5.728 634 HD12 ILE 80 HD12 ILE 80 2.264 12.508 -5.087 635 HD13 ILE 80 HD13 ILE 80 2.969 12.975 -6.644 636 H LYS 81 H LYS 81 4.211 14.942 -0.590 637 HA LYS 81 HA LYS 81 5.127 12.746 1.093 638 HB2 LYS 81 HB2 LYS 81 5.945 15.193 1.110 639 HB3 LYS 81 HB3 LYS 81 4.518 15.601 2.054 640 HG2 LYS 81 HG2 LYS 81 5.199 14.112 3.851 641 HG3 LYS 81 HG3 LYS 81 6.522 13.449 2.888 642 HD2 LYS 81 HD2 LYS 81 6.357 16.362 3.787 643 HD3 LYS 81 HD3 LYS 81 7.232 15.075 4.641 644 HE2 LYS 81 HE2 LYS 81 8.521 14.644 2.493 645 HE3 LYS 81 HE3 LYS 81 7.805 16.121 1.829 646 HZ1 LYS 81 HZ1 LYS 81 9.981 16.549 2.792 647 HZ2 LYS 81 HZ2 LYS 81 9.570 15.919 4.204 648 HZ3 LYS 81 HZ3 LYS 81 8.880 17.343 3.690 649 H ALA 82 H ALA 82 2.370 14.781 1.063 650 HA ALA 82 HA ALA 82 0.994 13.706 3.396 651 HB1 ALA 82 HB1 ALA 82 0.444 15.929 2.454 652 HB2 ALA 82 HB2 ALA 82 -0.117 15.169 0.949 653 HB3 ALA 82 HB3 ALA 82 -0.988 14.882 2.471 654 H ALA 83 H ALA 83 0.537 13.067 -0.125 655 HA ALA 83 HA ALA 83 -1.344 10.969 0.233 656 HB1 ALA 83 HB1 ALA 83 0.652 11.388 -2.033 657 HB2 ALA 83 HB2 ALA 83 -0.808 10.376 -2.101 658 HB3 ALA 83 HB3 ALA 83 -0.959 12.136 -1.919 659 H LEU 84 H LEU 84 2.119 10.922 0.259 660 HA LEU 84 HA LEU 84 2.462 8.064 0.246 661 HB2 LEU 84 HB2 LEU 84 4.253 9.777 -0.251 662 HB3 LEU 84 HB3 LEU 84 4.342 10.177 1.455 663 HG LEU 84 HG LEU 84 6.086 8.744 0.400 664 HD11 LEU 84 HD11 LEU 84 6.424 7.255 2.265 665 HD12 LEU 84 HD12 LEU 84 4.712 7.286 2.698 666 HD13 LEU 84 HD13 LEU 84 5.710 8.743 2.889 667 HD21 LEU 84 HD21 LEU 84 4.296 7.418 -0.918 668 HD22 LEU 84 HD22 LEU 84 4.127 6.430 0.546 669 HD23 LEU 84 HD23 LEU 84 5.676 6.551 -0.306 670 H ALA 85 H ALA 85 2.632 10.400 2.894 671 HA ALA 85 HA ALA 85 2.818 8.481 4.983 672 HB1 ALA 85 HB1 ALA 85 2.173 10.336 6.491 673 HB2 ALA 85 HB2 ALA 85 3.336 10.892 5.268 674 HB3 ALA 85 HB3 ALA 85 1.606 11.280 5.095 675 H GLN 86 H GLN 86 0.090 9.325 3.191 676 HA GLN 86 HA GLN 86 -1.826 8.121 5.100 677 HB2 GLN 86 HB2 GLN 86 -2.246 10.269 3.804 678 HB3 GLN 86 HB3 GLN 86 -2.468 9.278 2.362 679 HG2 GLN 86 HG2 GLN 86 -4.446 8.248 3.302 680 HG3 GLN 86 HG3 GLN 86 -4.050 8.825 4.928 681 HE21 GLN 86 HE21 GLN 86 -5.206 10.024 1.678 682 HE22 GLN 86 HE22 GLN 86 -5.851 11.485 2.469 683 H CYS 87 H CYS 87 -0.318 7.358 2.089 684 HA CYS 87 HA CYS 87 -1.589 4.769 1.663 685 HB2 CYS 87 HB2 CYS 87 -0.249 6.386 0.032 686 HB3 CYS 87 HB3 CYS 87 1.154 5.460 0.597 687 HG CYS 87 HG CYS 87 0.543 4.265 -1.601 688 H GLN 88 H GLN 88 1.122 5.915 3.529 689 HA GLN 88 HA GLN 88 2.489 3.463 3.896 690 HB2 GLN 88 HB2 GLN 88 3.208 5.854 4.469 691 HB3 GLN 88 HB3 GLN 88 2.377 5.656 6.014 692 HG2 GLN 88 HG2 GLN 88 4.297 3.460 5.319 693 HG3 GLN 88 HG3 GLN 88 5.028 5.061 5.428 694 HE21 GLN 88 HE21 GLN 88 2.782 2.940 7.392 695 HE22 GLN 88 HE22 GLN 88 3.567 3.502 8.893 Start of MODEL 3 1 H1 MET 1 H1 MET 1 0.246 2.075 -0.131 2 H2 MET 1 H2 MET 1 1.115 1.184 0.914 3 H3 MET 1 H3 MET 1 -0.217 0.550 0.192 4 HA MET 1 HA MET 1 1.773 -0.344 -0.834 5 HB2 MET 1 HB2 MET 1 -0.433 0.083 -2.051 6 HB3 MET 1 HB3 MET 1 0.287 1.558 -2.697 7 HG2 MET 1 HG2 MET 1 2.009 0.226 -3.846 8 HG3 MET 1 HG3 MET 1 1.401 -1.253 -3.085 9 HE1 MET 1 HE1 MET 1 0.505 -1.659 -6.900 10 HE2 MET 1 HE2 MET 1 1.940 -0.859 -6.217 11 HE3 MET 1 HE3 MET 1 1.345 -2.381 -5.507 12 H ALA 2 H ALA 2 3.556 0.392 -2.583 13 HA ALA 2 HA ALA 2 4.868 2.914 -1.856 14 HB1 ALA 2 HB1 ALA 2 5.245 1.031 -4.234 15 HB2 ALA 2 HB2 ALA 2 6.306 2.381 -3.781 16 HB3 ALA 2 HB3 ALA 2 6.175 0.976 -2.714 17 H LEU 3 H LEU 3 5.049 4.691 -3.524 18 HA LEU 3 HA LEU 3 2.418 5.045 -4.867 19 HB2 LEU 3 HB2 LEU 3 3.558 6.599 -2.923 20 HB3 LEU 3 HB3 LEU 3 4.135 7.380 -4.409 21 HG LEU 3 HG LEU 3 1.801 7.608 -5.189 22 HD11 LEU 3 HD11 LEU 3 0.632 5.812 -4.062 23 HD12 LEU 3 HD12 LEU 3 -0.052 7.341 -3.533 24 HD13 LEU 3 HD13 LEU 3 1.076 6.476 -2.464 25 HD21 LEU 3 HD21 LEU 3 1.169 9.382 -3.557 26 HD22 LEU 3 HD22 LEU 3 2.895 9.432 -3.949 27 HD23 LEU 3 HD23 LEU 3 2.353 8.736 -2.403 28 H ALA 4 H ALA 4 2.425 4.657 -6.824 29 HA ALA 4 HA ALA 4 4.649 4.715 -8.654 30 HB1 ALA 4 HB1 ALA 4 2.950 3.785 -10.194 31 HB2 ALA 4 HB2 ALA 4 2.913 2.978 -8.631 32 HB3 ALA 4 HB3 ALA 4 1.671 4.188 -9.035 33 H VAL 5 H VAL 5 5.446 6.654 -9.518 34 HA VAL 5 HA VAL 5 3.437 8.504 -10.655 35 HB VAL 5 HB VAL 5 6.172 9.339 -9.908 36 HG11 VAL 5 HG11 VAL 5 5.116 10.862 -11.476 37 HG12 VAL 5 HG12 VAL 5 3.728 11.042 -10.373 38 HG13 VAL 5 HG13 VAL 5 5.335 11.614 -9.907 39 HG21 VAL 5 HG21 VAL 5 5.277 10.423 -7.878 40 HG22 VAL 5 HG22 VAL 5 3.672 9.779 -8.262 41 HG23 VAL 5 HG23 VAL 5 4.983 8.691 -7.781 42 H ARG 6 H ARG 6 3.684 9.264 -12.565 43 HA ARG 6 HA ARG 6 5.883 8.419 -14.396 44 HB2 ARG 6 HB2 ARG 6 3.091 7.697 -14.615 45 HB3 ARG 6 HB3 ARG 6 3.376 8.917 -15.845 46 HG2 ARG 6 HG2 ARG 6 3.666 6.630 -16.705 47 HG3 ARG 6 HG3 ARG 6 5.144 7.591 -16.861 48 HD2 ARG 6 HD2 ARG 6 5.529 5.241 -16.116 49 HD3 ARG 6 HD3 ARG 6 6.183 6.465 -15.027 50 HE ARG 6 HE ARG 6 3.534 5.601 -14.246 51 HH11 ARG 6 HH11 ARG 6 6.884 4.400 -13.902 52 HH12 ARG 6 HH12 ARG 6 6.620 4.221 -12.178 53 HH21 ARG 6 HH21 ARG 6 3.404 5.065 -12.046 54 HH22 ARG 6 HH22 ARG 6 4.883 4.366 -11.352 55 H VAL 7 H VAL 7 6.338 9.886 -16.126 56 HA VAL 7 HA VAL 7 5.082 12.568 -16.095 57 HB VAL 7 HB VAL 7 8.096 12.280 -16.354 58 HG11 VAL 7 HG11 VAL 7 8.023 14.714 -16.105 59 HG12 VAL 7 HG12 VAL 7 6.999 14.216 -17.457 60 HG13 VAL 7 HG13 VAL 7 6.248 14.668 -15.927 61 HG21 VAL 7 HG21 VAL 7 8.300 13.408 -14.181 62 HG22 VAL 7 HG22 VAL 7 6.581 13.026 -13.860 63 HG23 VAL 7 HG23 VAL 7 7.768 11.726 -14.083 64 H VAL 8 H VAL 8 4.027 12.220 -18.083 65 HA VAL 8 HA VAL 8 5.548 10.912 -20.268 66 HB VAL 8 HB VAL 8 3.304 10.199 -19.845 67 HG11 VAL 8 HG11 VAL 8 1.327 11.431 -20.464 68 HG12 VAL 8 HG12 VAL 8 2.203 12.255 -19.170 69 HG13 VAL 8 HG13 VAL 8 2.294 12.870 -20.842 70 HG21 VAL 8 HG21 VAL 8 3.577 11.463 -22.595 71 HG22 VAL 8 HG22 VAL 8 4.285 9.916 -22.088 72 HG23 VAL 8 HG23 VAL 8 2.533 10.095 -22.151 73 H TYR 9 H TYR 9 6.577 11.993 -21.928 74 HA TYR 9 HA TYR 9 5.723 14.723 -22.557 75 HB2 TYR 9 HB2 TYR 9 7.135 15.192 -20.664 76 HB3 TYR 9 HB3 TYR 9 8.355 14.077 -21.284 77 HD1 TYR 9 HD2 TYR 9 6.609 17.071 -22.778 78 HD2 TYR 9 HD1 TYR 9 10.347 15.209 -21.733 79 HE1 TYR 9 HE2 TYR 9 7.827 18.972 -23.812 80 HE2 TYR 9 HE1 TYR 9 11.563 17.151 -22.741 81 HH TYR 9 HH TYR 9 11.379 19.089 -23.903 82 H SER 10 H SER 10 6.642 15.577 -24.431 83 HA SER 10 HA SER 10 7.804 13.828 -26.475 84 HB2 SER 10 HB2 SER 10 7.901 15.835 -27.827 85 HB3 SER 10 HB3 SER 10 6.293 15.609 -27.122 86 HG SER 10 HG SER 10 8.289 17.218 -25.930 87 H GLY 11 H GLY 11 9.644 13.054 -25.414 88 HA2 GLY 11 HA2 GLY 11 11.543 14.500 -23.972 89 HA3 GLY 11 HA3 GLY 11 11.764 12.878 -24.630 90 H ALA 12 H ALA 12 11.606 16.039 -26.248 91 HA ALA 12 HA ALA 12 13.697 15.512 -28.139 92 HB1 ALA 12 HB1 ALA 12 12.190 18.064 -27.429 93 HB2 ALA 12 HB2 ALA 12 13.137 17.786 -28.905 94 HB3 ALA 12 HB3 ALA 12 11.670 16.835 -28.606 95 H CYS 13 H CYS 13 15.053 15.074 -26.009 96 HA CYS 13 HA CYS 13 16.955 15.454 -24.815 97 HB2 CYS 13 HB2 CYS 13 17.691 16.154 -27.193 98 HB3 CYS 13 HB3 CYS 13 17.676 17.812 -26.558 99 HG CYS 13 HG CYS 13 20.147 16.858 -26.549 100 H GLY 14 H GLY 14 18.319 17.539 -23.841 101 HA2 GLY 14 HA2 GLY 14 18.438 18.937 -22.021 102 HA3 GLY 14 HA3 GLY 14 16.862 19.581 -22.493 103 H TYR 15 H TYR 15 15.392 17.202 -22.130 104 HA TYR 15 HA TYR 15 14.393 17.525 -19.654 105 HB2 TYR 15 HB2 TYR 15 12.965 15.694 -20.077 106 HB3 TYR 15 HB3 TYR 15 13.325 16.445 -21.619 107 HD1 TYR 15 HD2 TYR 15 15.113 15.311 -23.122 108 HD2 TYR 15 HD1 TYR 15 13.116 13.350 -19.858 109 HE1 TYR 15 HE2 TYR 15 15.750 13.098 -24.074 110 HE2 TYR 15 HE1 TYR 15 13.707 11.142 -20.831 111 HH TYR 15 HH TYR 15 14.511 10.104 -22.864 112 H LYS 16 H LYS 16 16.510 14.756 -20.357 113 HA LYS 16 HA LYS 16 16.277 13.320 -18.061 114 HB2 LYS 16 HB2 LYS 16 18.681 13.753 -19.844 115 HB3 LYS 16 HB3 LYS 16 18.812 12.682 -18.434 116 HG2 LYS 16 HG2 LYS 16 17.375 11.096 -19.280 117 HG3 LYS 16 HG3 LYS 16 16.421 12.277 -20.178 118 HD2 LYS 16 HD2 LYS 16 17.518 10.809 -21.715 119 HD3 LYS 16 HD3 LYS 16 18.128 12.455 -21.909 120 HE2 LYS 16 HE2 LYS 16 20.175 11.858 -20.655 121 HE3 LYS 16 HE3 LYS 16 19.525 10.234 -20.345 122 HZ1 LYS 16 HZ1 LYS 16 20.112 11.330 -23.047 123 HZ2 LYS 16 HZ2 LYS 16 19.532 9.830 -22.730 124 HZ3 LYS 16 HZ3 LYS 16 21.045 10.243 -22.244 125 HA PRO 17 HA PRO 17 19.240 15.543 -15.155 126 HB2 PRO 17 HB2 PRO 17 20.150 18.088 -15.709 127 HB3 PRO 17 HB3 PRO 17 21.017 16.596 -16.189 128 HG2 PRO 17 HG2 PRO 17 19.126 18.272 -17.876 129 HG3 PRO 17 HG3 PRO 17 20.758 17.671 -18.317 130 HD2 PRO 17 HD2 PRO 17 18.562 16.345 -19.115 131 HD3 PRO 17 HD3 PRO 17 19.995 15.449 -18.537 132 H LYS 18 H LYS 18 16.899 17.781 -16.907 133 HA LYS 18 HA LYS 18 16.217 19.018 -14.321 134 HB2 LYS 18 HB2 LYS 18 15.827 20.173 -16.523 135 HB3 LYS 18 HB3 LYS 18 14.463 19.076 -16.806 136 HG2 LYS 18 HG2 LYS 18 13.317 19.883 -14.803 137 HG3 LYS 18 HG3 LYS 18 14.725 20.827 -14.302 138 HD2 LYS 18 HD2 LYS 18 14.408 22.393 -16.148 139 HD3 LYS 18 HD3 LYS 18 13.161 21.361 -16.848 140 HE2 LYS 18 HE2 LYS 18 11.993 23.140 -15.824 141 HE3 LYS 18 HE3 LYS 18 11.737 21.724 -14.807 142 HZ1 LYS 18 HZ1 LYS 18 13.635 23.946 -14.241 143 HZ2 LYS 18 HZ2 LYS 18 13.424 22.628 -13.276 144 HZ3 LYS 18 HZ3 LYS 18 12.216 23.720 -13.484 145 H TYR 19 H TYR 19 15.055 16.287 -16.156 146 HA TYR 19 HA TYR 19 12.814 15.494 -14.561 147 HB2 TYR 19 HB2 TYR 19 14.712 14.175 -16.488 148 HB3 TYR 19 HB3 TYR 19 13.886 13.125 -15.350 149 HD1 TYR 19 HD2 TYR 19 12.881 16.140 -17.392 150 HD2 TYR 19 HD1 TYR 19 12.090 12.039 -16.281 151 HE1 TYR 19 HE2 TYR 19 10.831 16.136 -18.801 152 HE2 TYR 19 HE1 TYR 19 10.004 12.090 -17.694 153 HH TYR 19 HH TYR 19 8.877 15.080 -19.177 154 H LEU 20 H LEU 20 16.258 14.425 -14.413 155 HA LEU 20 HA LEU 20 16.077 12.948 -11.998 156 HB2 LEU 20 HB2 LEU 20 18.283 14.450 -13.308 157 HB3 LEU 20 HB3 LEU 20 18.602 13.554 -11.877 158 HG LEU 20 HG LEU 20 17.496 12.238 -14.398 159 HD11 LEU 20 HD11 LEU 20 19.795 13.073 -14.736 160 HD12 LEU 20 HD12 LEU 20 19.761 11.305 -14.646 161 HD13 LEU 20 HD13 LEU 20 20.319 12.249 -13.247 162 HD21 LEU 20 HD21 LEU 20 18.550 11.097 -11.777 163 HD22 LEU 20 HD22 LEU 20 18.182 10.144 -13.230 164 HD23 LEU 20 HD23 LEU 20 16.885 10.992 -12.383 165 H GLN 21 H GLN 21 16.855 16.474 -12.403 166 HA GLN 21 HA GLN 21 17.511 16.887 -9.721 167 HB2 GLN 21 HB2 GLN 21 17.753 18.445 -11.748 168 HB3 GLN 21 HB3 GLN 21 16.062 18.920 -11.522 169 HG2 GLN 21 HG2 GLN 21 18.157 19.053 -9.339 170 HG3 GLN 21 HG3 GLN 21 17.963 20.364 -10.509 171 HE21 GLN 21 HE21 GLN 21 16.284 18.745 -7.762 172 HE22 GLN 21 HE22 GLN 21 15.305 20.194 -7.481 173 H LEU 22 H LEU 22 14.334 17.222 -11.311 174 HA LEU 22 HA LEU 22 12.792 17.739 -8.941 175 HB2 LEU 22 HB2 LEU 22 12.006 18.282 -11.179 176 HB3 LEU 22 HB3 LEU 22 12.129 16.589 -11.680 177 HG LEU 22 HG LEU 22 10.294 15.972 -10.141 178 HD11 LEU 22 HD11 LEU 22 8.891 17.766 -9.128 179 HD12 LEU 22 HD12 LEU 22 10.126 18.969 -9.574 180 HD13 LEU 22 HD13 LEU 22 10.497 17.686 -8.398 181 HD21 LEU 22 HD21 LEU 22 9.618 18.308 -11.973 182 HD22 LEU 22 HD22 LEU 22 8.511 17.030 -11.427 183 HD23 LEU 22 HD23 LEU 22 9.862 16.627 -12.495 184 H LYS 23 H LYS 23 13.702 14.610 -10.595 185 HA LYS 23 HA LYS 23 12.039 12.944 -8.947 186 HB2 LYS 23 HB2 LYS 23 14.318 12.619 -10.929 187 HB3 LYS 23 HB3 LYS 23 13.991 11.371 -9.750 188 HG2 LYS 23 HG2 LYS 23 11.722 11.144 -10.481 189 HG3 LYS 23 HG3 LYS 23 11.953 12.413 -11.709 190 HD2 LYS 23 HD2 LYS 23 12.047 10.143 -12.652 191 HD3 LYS 23 HD3 LYS 23 13.393 11.232 -13.006 192 HE2 LYS 23 HE2 LYS 23 14.263 9.163 -12.574 193 HE3 LYS 23 HE3 LYS 23 14.736 10.161 -11.197 194 HZ1 LYS 23 HZ1 LYS 23 12.796 9.173 -9.988 195 HZ2 LYS 23 HZ2 LYS 23 13.957 8.169 -10.168 196 HZ3 LYS 23 HZ3 LYS 23 12.589 8.079 -11.149 197 H GLU 24 H GLU 24 15.544 13.425 -8.999 198 HA GLU 24 HA GLU 24 16.376 12.022 -6.765 199 HB2 GLU 24 HB2 GLU 24 17.827 13.309 -8.332 200 HB3 GLU 24 HB3 GLU 24 17.294 14.815 -7.592 201 HG2 GLU 24 HG2 GLU 24 18.444 12.895 -5.640 202 HG3 GLU 24 HG3 GLU 24 19.554 13.294 -6.954 203 H LYS 25 H LYS 25 14.982 15.291 -6.621 204 HA LYS 25 HA LYS 25 15.203 15.544 -3.748 205 HB2 LYS 25 HB2 LYS 25 14.565 17.266 -5.918 206 HB3 LYS 25 HB3 LYS 25 13.036 17.094 -5.065 207 HG2 LYS 25 HG2 LYS 25 13.985 18.885 -3.933 208 HG3 LYS 25 HG3 LYS 25 14.472 17.523 -2.916 209 HD2 LYS 25 HD2 LYS 25 16.089 19.286 -4.772 210 HD3 LYS 25 HD3 LYS 25 16.424 18.821 -3.091 211 HE2 LYS 25 HE2 LYS 25 16.854 16.442 -3.996 212 HE3 LYS 25 HE3 LYS 25 16.745 17.122 -5.612 213 HZ1 LYS 25 HZ1 LYS 25 18.678 18.479 -5.136 214 HZ2 LYS 25 HZ2 LYS 25 18.946 16.902 -4.866 215 HZ3 LYS 25 HZ3 LYS 25 18.753 17.852 -3.564 216 H LEU 26 H LEU 26 12.661 14.259 -5.706 217 HA LEU 26 HA LEU 26 10.686 14.024 -3.569 218 HB2 LEU 26 HB2 LEU 26 10.948 13.557 -6.497 219 HB3 LEU 26 HB3 LEU 26 10.113 12.264 -5.675 220 HG LEU 26 HG LEU 26 8.643 13.887 -6.629 221 HD11 LEU 26 HD11 LEU 26 7.883 12.664 -4.640 222 HD12 LEU 26 HD12 LEU 26 7.148 14.276 -4.713 223 HD13 LEU 26 HD13 LEU 26 8.484 13.968 -3.593 224 HD21 LEU 26 HD21 LEU 26 9.996 15.896 -6.425 225 HD22 LEU 26 HD22 LEU 26 9.811 15.884 -4.657 226 HD23 LEU 26 HD23 LEU 26 8.402 16.173 -5.694 227 H GLU 27 H GLU 27 12.615 11.737 -5.440 228 HA GLU 27 HA GLU 27 12.284 9.422 -3.809 229 HB2 GLU 27 HB2 GLU 27 14.227 10.432 -5.892 230 HB3 GLU 27 HB3 GLU 27 14.669 9.020 -4.953 231 HG2 GLU 27 HG2 GLU 27 13.081 7.672 -5.893 232 HG3 GLU 27 HG3 GLU 27 11.873 8.956 -5.978 233 H HIS 28 H HIS 28 14.667 12.066 -3.418 234 HA HIS 28 HA HIS 28 15.958 11.151 -1.047 235 HB2 HIS 28 HB2 HIS 28 16.792 13.136 -2.003 236 HB3 HIS 28 HB3 HIS 28 15.197 13.843 -2.183 237 HD1 HIS 28 HD1 HIS 28 14.131 15.213 -0.015 238 HD2 HIS 28 HD2 HIS 28 17.903 13.361 0.507 239 HE1 HIS 28 HE1 HIS 28 15.105 16.165 2.057 240 H GLU 29 H GLU 29 12.934 12.924 -1.457 241 HA GLU 29 HA GLU 29 12.386 13.249 1.327 242 HB2 GLU 29 HB2 GLU 29 11.245 14.100 -1.106 243 HB3 GLU 29 HB3 GLU 29 10.008 13.069 -0.433 244 HG2 GLU 29 HG2 GLU 29 9.430 15.172 0.286 245 HG3 GLU 29 HG3 GLU 29 10.036 14.306 1.689 246 H PHE 30 H PHE 30 11.397 10.880 -0.960 247 HA PHE 30 HA PHE 30 10.064 9.123 1.085 248 HB2 PHE 30 HB2 PHE 30 9.260 9.606 -1.803 249 HB3 PHE 30 HB3 PHE 30 8.358 8.692 -0.594 250 HD1 PHE 30 HD2 PHE 30 7.978 10.177 1.688 251 HD2 PHE 30 HD1 PHE 30 8.388 11.708 -2.317 252 HE1 PHE 30 HE2 PHE 30 6.858 12.223 2.368 253 HE2 PHE 30 HE1 PHE 30 7.291 13.828 -1.616 254 HZ PHE 30 HZ PHE 30 6.604 14.140 0.710 255 HA PRO 31 HA PRO 31 13.153 6.945 -1.805 256 HB2 PRO 31 HB2 PRO 31 14.848 5.706 -0.031 257 HB3 PRO 31 HB3 PRO 31 15.101 7.329 -0.740 258 HG2 PRO 31 HG2 PRO 31 13.893 6.641 1.964 259 HG3 PRO 31 HG3 PRO 31 15.106 7.911 1.588 260 HD2 PRO 31 HD2 PRO 31 12.481 8.539 1.859 261 HD3 PRO 31 HD3 PRO 31 13.472 9.284 0.566 262 H GLY 32 H GLY 32 12.542 5.189 -2.569 263 HA2 GLY 32 HA2 GLY 32 11.467 3.183 -3.011 264 HA3 GLY 32 HA3 GLY 32 11.960 2.667 -1.391 265 H CYS 33 H CYS 33 10.123 5.030 -0.346 266 HA CYS 33 HA CYS 33 7.622 3.609 -0.303 267 HB2 CYS 33 HB2 CYS 33 8.056 6.503 0.410 268 HB3 CYS 33 HB3 CYS 33 6.776 5.411 0.953 269 HG CYS 33 HG CYS 33 8.735 6.089 2.832 270 H LEU 34 H LEU 34 9.196 5.540 -2.588 271 HA LEU 34 HA LEU 34 6.759 5.967 -4.199 272 HB2 LEU 34 HB2 LEU 34 8.848 7.878 -3.307 273 HB3 LEU 34 HB3 LEU 34 8.792 7.694 -5.071 274 HG LEU 34 HG LEU 34 6.369 8.011 -5.006 275 HD11 LEU 34 HD11 LEU 34 5.302 9.186 -3.172 276 HD12 LEU 34 HD12 LEU 34 6.809 9.200 -2.246 277 HD13 LEU 34 HD13 LEU 34 5.982 7.668 -2.577 278 HD21 LEU 34 HD21 LEU 34 8.087 10.327 -4.034 279 HD22 LEU 34 HD22 LEU 34 6.553 10.464 -4.953 280 HD23 LEU 34 HD23 LEU 34 7.979 9.751 -5.706 281 H ASP 35 H ASP 35 6.952 5.861 -6.284 282 HA ASP 35 HA ASP 35 9.431 5.122 -7.741 283 HB2 ASP 35 HB2 ASP 35 7.878 3.295 -7.979 284 HB3 ASP 35 HB3 ASP 35 6.555 4.438 -8.021 285 H ILE 36 H ILE 36 9.796 6.468 -9.294 286 HA ILE 36 HA ILE 36 7.781 8.100 -10.541 287 HB ILE 36 HB ILE 36 10.350 9.386 -9.844 288 HG12 ILE 36 HG12 ILE 36 7.690 9.942 -8.503 289 HG13 ILE 36 HG13 ILE 36 9.148 9.292 -7.760 290 HG21 ILE 36 HG21 ILE 36 9.362 11.446 -10.867 291 HG22 ILE 36 HG22 ILE 36 9.285 10.120 -11.999 292 HG23 ILE 36 HG23 ILE 36 7.831 10.581 -11.101 293 HD11 ILE 36 HD11 ILE 36 8.843 12.115 -8.853 294 HD12 ILE 36 HD12 ILE 36 8.812 11.591 -7.182 295 HD13 ILE 36 HD13 ILE 36 10.325 11.419 -8.133 296 H CYS 37 H CYS 37 7.961 7.403 -12.334 297 HA CYS 37 HA CYS 37 10.558 7.171 -13.851 298 HB2 CYS 37 HB2 CYS 37 7.961 5.736 -14.393 299 HB3 CYS 37 HB3 CYS 37 9.355 5.720 -15.474 300 HG CYS 37 HG CYS 37 9.243 4.684 -12.291 301 H GLY 38 H GLY 38 10.182 7.649 -16.243 302 HA2 GLY 38 HA2 GLY 38 8.122 9.730 -16.757 303 HA3 GLY 38 HA3 GLY 38 9.802 9.977 -17.274 304 H GLU 39 H GLU 39 7.647 9.880 -19.051 305 HA GLU 39 HA GLU 39 8.363 7.523 -20.710 306 HB2 GLU 39 HB2 GLU 39 6.285 7.090 -19.568 307 HB3 GLU 39 HB3 GLU 39 5.530 8.522 -20.316 308 HG2 GLU 39 HG2 GLU 39 6.151 7.511 -22.567 309 HG3 GLU 39 HG3 GLU 39 6.701 6.062 -21.721 310 H GLY 40 H GLY 40 9.749 8.916 -21.493 311 HA2 GLY 40 HA2 GLY 40 9.136 11.511 -22.588 312 HA3 GLY 40 HA3 GLY 40 10.669 10.705 -22.763 313 H THR 41 H THR 41 7.452 9.688 -24.019 314 HA THR 41 HA THR 41 8.660 8.812 -26.521 315 HB THR 41 HB THR 41 6.288 8.129 -27.081 316 HG1 THR 41 HG1 THR 41 5.159 8.102 -24.778 317 HG21 THR 41 HG21 THR 41 6.181 6.311 -25.412 318 HG22 THR 41 HG22 THR 41 7.415 7.132 -24.436 319 HG23 THR 41 HG23 THR 41 7.821 6.529 -26.053 320 HA PRO 42 HA PRO 42 8.196 12.428 -28.801 321 HB2 PRO 42 HB2 PRO 42 7.987 11.616 -31.413 322 HB3 PRO 42 HB3 PRO 42 9.437 11.333 -30.404 323 HG2 PRO 42 HG2 PRO 42 7.124 9.422 -30.905 324 HG3 PRO 42 HG3 PRO 42 8.880 9.107 -31.118 325 HD2 PRO 42 HD2 PRO 42 7.608 8.382 -28.849 326 HD3 PRO 42 HD3 PRO 42 9.251 9.095 -28.774 327 H GLN 43 H GLN 43 5.348 10.936 -28.171 328 HA GLN 43 HA GLN 43 3.862 11.233 -30.519 329 HB2 GLN 43 HB2 GLN 43 3.325 10.415 -27.766 330 HB3 GLN 43 HB3 GLN 43 1.937 11.259 -28.429 331 HG2 GLN 43 HG2 GLN 43 3.347 8.972 -29.868 332 HG3 GLN 43 HG3 GLN 43 1.995 8.755 -28.770 333 HE21 GLN 43 HE21 GLN 43 1.550 11.702 -30.845 334 HE22 GLN 43 HE22 GLN 43 0.498 10.745 -31.888 335 H VAL 44 H VAL 44 4.024 13.755 -27.961 336 HA VAL 44 HA VAL 44 2.624 15.546 -29.880 337 HB VAL 44 HB VAL 44 1.666 15.286 -27.016 338 HG11 VAL 44 HG11 VAL 44 -0.101 16.890 -27.777 339 HG12 VAL 44 HG12 VAL 44 1.505 17.608 -27.905 340 HG13 VAL 44 HG13 VAL 44 0.692 16.997 -29.361 341 HG21 VAL 44 HG21 VAL 44 0.297 14.458 -29.603 342 HG22 VAL 44 HG22 VAL 44 0.780 13.398 -28.259 343 HG23 VAL 44 HG23 VAL 44 -0.508 14.577 -28.027 344 H THR 45 H THR 45 4.336 16.800 -30.224 345 HA THR 45 HA THR 45 6.319 17.758 -28.620 346 HB THR 45 HB THR 45 4.919 19.379 -30.766 347 HG1 THR 45 HG1 THR 45 6.319 18.263 -32.141 348 HG21 THR 45 HG21 THR 45 7.216 20.175 -31.239 349 HG22 THR 45 HG22 THR 45 7.841 19.214 -29.879 350 HG23 THR 45 HG23 THR 45 6.744 20.583 -29.584 351 H GLY 46 H GLY 46 5.868 18.325 -26.560 352 HA2 GLY 46 HA2 GLY 46 5.945 20.320 -25.199 353 HA3 GLY 46 HA3 GLY 46 4.622 21.022 -26.135 354 H PHE 47 H PHE 47 3.607 17.936 -25.623 355 HA PHE 47 HA PHE 47 1.902 18.539 -23.304 356 HB2 PHE 47 HB2 PHE 47 1.603 17.036 -25.532 357 HB3 PHE 47 HB3 PHE 47 2.271 15.780 -24.502 358 HD1 PHE 47 HD2 PHE 47 0.467 17.364 -22.106 359 HD2 PHE 47 HD1 PHE 47 -0.236 15.368 -25.835 360 HE1 PHE 47 HE2 PHE 47 -1.865 16.877 -21.408 361 HE2 PHE 47 HE1 PHE 47 -2.561 14.883 -25.156 362 HZ PHE 47 HZ PHE 47 -3.384 15.636 -22.929 363 H PHE 48 H PHE 48 2.689 18.164 -21.142 364 HA PHE 48 HA PHE 48 4.886 16.261 -20.646 365 HB2 PHE 48 HB2 PHE 48 5.930 18.519 -21.174 366 HB3 PHE 48 HB3 PHE 48 5.123 19.137 -19.759 367 HD1 PHE 48 HD1 PHE 48 5.619 17.239 -17.547 368 HD2 PHE 48 HD2 PHE 48 8.205 18.644 -20.707 369 HE1 PHE 48 HE1 PHE 48 7.543 17.013 -16.075 370 HE2 PHE 48 HE2 PHE 48 10.141 18.400 -19.212 371 HZ PHE 48 HZ PHE 48 9.827 17.570 -16.866 372 H GLU 49 H GLU 49 3.384 14.953 -19.293 373 HA GLU 49 HA GLU 49 1.913 16.557 -17.248 374 HB2 GLU 49 HB2 GLU 49 1.074 14.099 -18.777 375 HB3 GLU 49 HB3 GLU 49 0.117 15.136 -17.749 376 HG2 GLU 49 HG2 GLU 49 1.300 15.885 -20.456 377 HG3 GLU 49 HG3 GLU 49 -0.349 15.403 -20.144 378 H VAL 50 H VAL 50 1.901 15.918 -15.181 379 HA VAL 50 HA VAL 50 3.502 13.440 -14.501 380 HB VAL 50 HB VAL 50 2.904 15.752 -12.654 381 HG11 VAL 50 HG11 VAL 50 4.636 13.286 -12.287 382 HG12 VAL 50 HG12 VAL 50 4.638 14.688 -11.201 383 HG13 VAL 50 HG13 VAL 50 3.178 13.715 -11.367 384 HG21 VAL 50 HG21 VAL 50 5.615 14.983 -13.798 385 HG22 VAL 50 HG22 VAL 50 4.624 16.251 -14.518 386 HG23 VAL 50 HG23 VAL 50 5.206 16.417 -12.850 387 H THR 51 H THR 51 2.446 11.740 -13.672 388 HA THR 51 HA THR 51 -0.200 12.193 -12.398 389 HB THR 51 HB THR 51 0.155 9.513 -13.474 390 HG1 THR 51 HG1 THR 51 0.275 11.572 -15.397 391 HG21 THR 51 HG21 THR 51 -1.938 9.977 -14.627 392 HG22 THR 51 HG22 THR 51 -1.790 11.709 -14.230 393 HG23 THR 51 HG23 THR 51 -2.002 10.503 -12.935 394 H VAL 52 H VAL 52 -0.363 11.325 -10.314 395 HA VAL 52 HA VAL 52 1.533 9.200 -9.441 396 HB VAL 52 HB VAL 52 1.970 11.254 -8.223 397 HG11 VAL 52 HG11 VAL 52 -0.412 12.212 -8.350 398 HG12 VAL 52 HG12 VAL 52 -0.839 11.128 -7.031 399 HG13 VAL 52 HG13 VAL 52 0.404 12.360 -6.783 400 HG21 VAL 52 HG21 VAL 52 0.473 9.301 -6.404 401 HG22 VAL 52 HG22 VAL 52 2.084 8.991 -7.058 402 HG23 VAL 52 HG23 VAL 52 1.811 10.362 -5.970 403 H ALA 53 H ALA 53 0.645 7.378 -8.779 404 HA ALA 53 HA ALA 53 -0.949 5.696 -8.794 405 HB1 ALA 53 HB1 ALA 53 -0.779 6.479 -6.474 406 HB2 ALA 53 HB2 ALA 53 -2.144 7.586 -6.740 407 HB3 ALA 53 HB3 ALA 53 -2.389 5.828 -6.827 408 H GLY 54 H GLY 54 -1.547 7.606 -10.921 409 HA2 GLY 54 HA2 GLY 54 -3.231 7.605 -12.616 410 HA3 GLY 54 HA3 GLY 54 -4.378 6.921 -11.463 411 H LYS 55 H LYS 55 -2.663 9.774 -10.414 412 HA LYS 55 HA LYS 55 -4.999 11.569 -10.949 413 HB2 LYS 55 HB2 LYS 55 -3.165 11.647 -8.607 414 HB3 LYS 55 HB3 LYS 55 -4.630 12.583 -8.818 415 HG2 LYS 55 HG2 LYS 55 -4.443 9.563 -8.364 416 HG3 LYS 55 HG3 LYS 55 -4.886 10.783 -7.166 417 HD2 LYS 55 HD2 LYS 55 -6.920 11.350 -8.410 418 HD3 LYS 55 HD3 LYS 55 -6.461 10.245 -9.723 419 HE2 LYS 55 HE2 LYS 55 -6.433 8.354 -8.080 420 HE3 LYS 55 HE3 LYS 55 -7.049 9.460 -6.840 421 HZ1 LYS 55 HZ1 LYS 55 -8.423 8.778 -9.385 422 HZ2 LYS 55 HZ2 LYS 55 -9.003 9.824 -8.258 423 HZ3 LYS 55 HZ3 LYS 55 -8.843 8.225 -7.899 424 H LEU 56 H LEU 56 -4.465 13.249 -12.273 425 HA LEU 56 HA LEU 56 -1.730 13.954 -12.907 426 HB2 LEU 56 HB2 LEU 56 -3.402 14.181 -14.491 427 HB3 LEU 56 HB3 LEU 56 -4.407 15.256 -13.497 428 HG LEU 56 HG LEU 56 -1.609 16.046 -14.397 429 HD11 LEU 56 HD11 LEU 56 -2.894 15.319 -16.405 430 HD12 LEU 56 HD12 LEU 56 -2.573 17.041 -16.417 431 HD13 LEU 56 HD13 LEU 56 -4.193 16.455 -15.975 432 HD21 LEU 56 HD21 LEU 56 -4.144 17.654 -13.806 433 HD22 LEU 56 HD22 LEU 56 -2.593 18.340 -14.345 434 HD23 LEU 56 HD23 LEU 56 -2.716 17.574 -12.764 435 H VAL 57 H VAL 57 -0.439 15.229 -12.025 436 HA VAL 57 HA VAL 57 -1.289 17.083 -9.780 437 HB VAL 57 HB VAL 57 1.548 16.080 -10.029 438 HG11 VAL 57 HG11 VAL 57 1.475 16.394 -7.554 439 HG12 VAL 57 HG12 VAL 57 1.053 17.889 -8.400 440 HG13 VAL 57 HG13 VAL 57 -0.221 16.890 -7.667 441 HG21 VAL 57 HG21 VAL 57 0.309 13.986 -9.973 442 HG22 VAL 57 HG22 VAL 57 1.041 14.279 -8.398 443 HG23 VAL 57 HG23 VAL 57 -0.701 14.582 -8.634 444 H HIS 58 H HIS 58 0.339 16.796 -12.816 445 HA HIS 58 HA HIS 58 1.003 19.700 -12.866 446 HB2 HIS 58 HB2 HIS 58 2.885 17.944 -12.185 447 HB3 HIS 58 HB3 HIS 58 2.841 17.592 -13.926 448 HD1 HIS 58 HD1 HIS 58 2.920 21.121 -12.257 449 HD2 HIS 58 HD2 HIS 58 5.035 18.458 -14.734 450 HE1 HIS 58 HE1 HIS 58 5.277 22.060 -12.484 451 H SER 59 H SER 59 0.905 20.527 -14.894 452 HA SER 59 HA SER 59 0.588 18.816 -17.250 453 HB2 SER 59 HB2 SER 59 -1.681 19.038 -16.275 454 HB3 SER 59 HB3 SER 59 -1.564 20.791 -16.322 455 HG SER 59 HG SER 59 -1.524 18.981 -18.514 456 H LYS 60 H LYS 60 2.210 19.828 -18.515 457 HA LYS 60 HA LYS 60 2.352 22.756 -18.718 458 HB2 LYS 60 HB2 LYS 60 3.527 20.404 -20.159 459 HB3 LYS 60 HB3 LYS 60 3.459 21.901 -21.057 460 HG2 LYS 60 HG2 LYS 60 4.625 21.936 -18.255 461 HG3 LYS 60 HG3 LYS 60 5.575 21.352 -19.619 462 HD2 LYS 60 HD2 LYS 60 6.065 23.676 -19.172 463 HD3 LYS 60 HD3 LYS 60 5.403 23.432 -20.796 464 HE2 LYS 60 HE2 LYS 60 3.232 24.309 -20.099 465 HE3 LYS 60 HE3 LYS 60 3.800 24.460 -18.427 466 HZ1 LYS 60 HZ1 LYS 60 3.950 26.585 -19.557 467 HZ2 LYS 60 HZ2 LYS 60 4.870 25.947 -20.759 468 HZ3 LYS 60 HZ3 LYS 60 5.473 26.059 -19.240 469 H LYS 61 H LYS 61 0.460 20.241 -20.266 470 HA LYS 61 HA LYS 61 -0.488 21.810 -22.477 471 HB2 LYS 61 HB2 LYS 61 -0.598 19.399 -22.317 472 HB3 LYS 61 HB3 LYS 61 -1.817 19.465 -21.038 473 HG2 LYS 61 HG2 LYS 61 -2.249 20.805 -23.736 474 HG3 LYS 61 HG3 LYS 61 -2.459 19.073 -23.576 475 HD2 LYS 61 HD2 LYS 61 -4.500 19.262 -22.726 476 HD3 LYS 61 HD3 LYS 61 -3.945 20.295 -21.424 477 HE2 LYS 61 HE2 LYS 61 -5.743 21.336 -22.752 478 HE3 LYS 61 HE3 LYS 61 -4.268 22.299 -22.728 479 HZ1 LYS 61 HZ1 LYS 61 -3.724 21.458 -24.914 480 HZ2 LYS 61 HZ2 LYS 61 -5.191 22.191 -24.944 481 HZ3 LYS 61 HZ3 LYS 61 -5.093 20.546 -24.968 482 H ARG 62 H ARG 62 -1.810 21.586 -19.118 483 HA ARG 62 HA ARG 62 -3.866 23.557 -19.769 484 HB2 ARG 62 HB2 ARG 62 -4.706 23.131 -17.763 485 HB3 ARG 62 HB3 ARG 62 -3.684 21.702 -17.792 486 HG2 ARG 62 HG2 ARG 62 -1.952 22.970 -16.496 487 HG3 ARG 62 HG3 ARG 62 -3.030 24.383 -16.462 488 HD2 ARG 62 HD2 ARG 62 -4.722 23.076 -15.264 489 HD3 ARG 62 HD3 ARG 62 -3.572 21.717 -15.149 490 HE ARG 62 HE ARG 62 -2.045 23.709 -14.215 491 HH11 ARG 62 HH11 ARG 62 -5.408 23.226 -13.408 492 HH12 ARG 62 HH12 ARG 62 -5.248 23.870 -11.791 493 HH21 ARG 62 HH21 ARG 62 -1.850 24.274 -12.036 494 HH22 ARG 62 HH22 ARG 62 -3.278 24.558 -11.073 495 H GLY 63 H GLY 63 -0.579 23.770 -18.739 496 HA2 GLY 63 HA2 GLY 63 0.679 25.778 -18.855 497 HA3 GLY 63 HA3 GLY 63 -0.775 26.766 -18.599 498 H ASP 64 H ASP 64 0.090 23.921 -16.655 499 HA ASP 64 HA ASP 64 0.096 25.378 -14.158 500 HB2 ASP 64 HB2 ASP 64 -0.397 22.894 -14.627 501 HB3 ASP 64 HB3 ASP 64 1.361 22.684 -14.741 502 H GLY 65 H GLY 65 2.626 24.503 -16.425 503 HA2 GLY 65 HA2 GLY 65 4.818 25.178 -16.706 504 HA3 GLY 65 HA3 GLY 65 4.622 26.327 -15.372 505 H TYR 66 H TYR 66 6.932 24.727 -15.779 506 HA TYR 66 HA TYR 66 6.998 22.282 -14.336 507 HB2 TYR 66 HB2 TYR 66 9.304 24.158 -14.871 508 HB3 TYR 66 HB3 TYR 66 9.343 22.418 -14.632 509 HD1 TYR 66 HD1 TYR 66 7.732 21.015 -16.281 510 HD2 TYR 66 HD2 TYR 66 9.504 24.875 -17.100 511 HE1 TYR 66 HE1 TYR 66 7.587 20.572 -18.705 512 HE2 TYR 66 HE2 TYR 66 9.400 24.393 -19.553 513 HH TYR 66 HH TYR 66 9.088 22.573 -21.147 514 H VAL 67 H VAL 67 9.023 22.257 -12.625 515 HA VAL 67 HA VAL 67 8.594 24.232 -10.494 516 HB VAL 67 HB VAL 67 10.564 23.686 -9.493 517 HG11 VAL 67 HG11 VAL 67 9.863 21.425 -8.704 518 HG12 VAL 67 HG12 VAL 67 8.467 22.487 -8.982 519 HG13 VAL 67 HG13 VAL 67 8.870 21.221 -10.155 520 HG21 VAL 67 HG21 VAL 67 11.795 21.501 -10.061 521 HG22 VAL 67 HG22 VAL 67 10.983 21.521 -11.642 522 HG23 VAL 67 HG23 VAL 67 12.125 22.814 -11.173 523 H ASP 68 H ASP 68 8.385 25.869 -11.598 524 HA ASP 68 HA ASP 68 10.528 27.451 -12.859 525 HB2 ASP 68 HB2 ASP 68 7.610 27.836 -12.338 526 HB3 ASP 68 HB3 ASP 68 8.626 28.948 -13.209 527 H THR 69 H THR 69 8.880 26.873 -9.790 528 HA THR 69 HA THR 69 10.382 29.045 -8.524 529 HB THR 69 HB THR 69 7.671 28.900 -7.464 530 HG1 THR 69 HG1 THR 69 8.050 30.157 -9.955 531 HG21 THR 69 HG21 THR 69 9.305 30.579 -6.717 532 HG22 THR 69 HG22 THR 69 7.883 31.359 -7.430 533 HG23 THR 69 HG23 THR 69 9.388 31.244 -8.364 534 H GLU 70 H GLU 70 10.527 28.834 -6.428 535 HA GLU 70 HA GLU 70 10.975 26.450 -5.084 536 HB2 GLU 70 HB2 GLU 70 11.401 29.101 -4.774 537 HB3 GLU 70 HB3 GLU 70 10.013 29.040 -3.754 538 HG2 GLU 70 HG2 GLU 70 12.412 27.210 -3.311 539 HG3 GLU 70 HG3 GLU 70 12.340 28.862 -2.674 540 H SER 71 H SER 71 8.309 28.583 -4.697 541 HA SER 71 HA SER 71 6.675 26.825 -3.088 542 HB2 SER 71 HB2 SER 71 6.506 29.471 -3.966 543 HB3 SER 71 HB3 SER 71 5.105 28.706 -4.712 544 HG SER 71 HG SER 71 4.484 29.320 -2.654 545 H LYS 72 H LYS 72 7.118 26.896 -6.582 546 HA LYS 72 HA LYS 72 4.686 25.404 -7.118 547 HB2 LYS 72 HB2 LYS 72 6.117 26.960 -8.731 548 HB3 LYS 72 HB3 LYS 72 6.994 25.460 -9.056 549 HG2 LYS 72 HG2 LYS 72 5.337 24.787 -10.463 550 HG3 LYS 72 HG3 LYS 72 4.196 24.789 -9.146 551 HD2 LYS 72 HD2 LYS 72 3.251 26.238 -10.780 552 HD3 LYS 72 HD3 LYS 72 3.867 27.283 -9.497 553 HE2 LYS 72 HE2 LYS 72 4.635 28.346 -11.425 554 HE3 LYS 72 HE3 LYS 72 6.048 27.422 -10.923 555 HZ1 LYS 72 HZ1 LYS 72 4.104 26.509 -12.998 556 HZ2 LYS 72 HZ2 LYS 72 5.441 25.687 -12.520 557 HZ3 LYS 72 HZ3 LYS 72 5.627 27.083 -13.307 558 H PHE 73 H PHE 73 8.005 24.612 -6.422 559 HA PHE 73 HA PHE 73 7.731 21.718 -6.859 560 HB2 PHE 73 HB2 PHE 73 9.944 22.795 -6.820 561 HB3 PHE 73 HB3 PHE 73 9.653 23.427 -5.220 562 HD1 PHE 73 HD2 PHE 73 9.399 19.984 -6.795 563 HD2 PHE 73 HD1 PHE 73 10.935 22.432 -3.577 564 HE1 PHE 73 HE2 PHE 73 10.444 18.007 -5.769 565 HE2 PHE 73 HE1 PHE 73 11.945 20.416 -2.542 566 HZ PHE 73 HZ PHE 73 11.653 18.192 -3.607 567 H ARG 74 H ARG 74 7.580 23.786 -3.982 568 HA ARG 74 HA ARG 74 7.080 21.833 -2.042 569 HB2 ARG 74 HB2 ARG 74 7.693 24.098 -1.442 570 HB3 ARG 74 HB3 ARG 74 6.247 24.756 -2.222 571 HG2 ARG 74 HG2 ARG 74 4.784 23.891 -0.537 572 HG3 ARG 74 HG3 ARG 74 6.060 22.900 0.181 573 HD2 ARG 74 HD2 ARG 74 5.367 25.023 1.415 574 HD3 ARG 74 HD3 ARG 74 7.083 24.723 1.208 575 HE ARG 74 HE ARG 74 5.475 26.791 -0.268 576 HH11 ARG 74 HH11 ARG 74 8.696 25.533 0.517 577 HH12 ARG 74 HH12 ARG 74 9.433 26.817 -0.382 578 HH21 ARG 74 HH21 ARG 74 6.621 28.467 -1.274 579 HH22 ARG 74 HH22 ARG 74 8.388 28.420 -1.033 580 H LYS 75 H LYS 75 4.637 23.178 -4.269 581 HA LYS 75 HA LYS 75 2.335 22.371 -2.889 582 HB2 LYS 75 HB2 LYS 75 1.282 23.015 -4.783 583 HB3 LYS 75 HB3 LYS 75 2.813 23.833 -4.988 584 HG2 LYS 75 HG2 LYS 75 3.533 21.785 -6.420 585 HG3 LYS 75 HG3 LYS 75 1.819 21.292 -6.349 586 HD2 LYS 75 HD2 LYS 75 1.266 23.630 -7.088 587 HD3 LYS 75 HD3 LYS 75 2.988 23.903 -7.320 588 HE2 LYS 75 HE2 LYS 75 3.130 22.095 -8.985 589 HE3 LYS 75 HE3 LYS 75 1.481 21.580 -8.630 590 HZ1 LYS 75 HZ1 LYS 75 2.231 24.096 -10.006 591 HZ2 LYS 75 HZ2 LYS 75 0.682 23.699 -9.554 592 HZ3 LYS 75 HZ3 LYS 75 1.474 22.816 -10.641 593 H LEU 76 H LEU 76 4.629 20.620 -4.913 594 HA LEU 76 HA LEU 76 2.907 18.219 -5.049 595 HB2 LEU 76 HB2 LEU 76 4.339 19.218 -6.937 596 HB3 LEU 76 HB3 LEU 76 5.763 18.606 -6.109 597 HG LEU 76 HG LEU 76 3.548 16.629 -6.610 598 HD11 LEU 76 HD11 LEU 76 5.346 17.636 -8.858 599 HD12 LEU 76 HD12 LEU 76 3.586 17.831 -8.755 600 HD13 LEU 76 HD13 LEU 76 4.282 16.213 -8.928 601 HD21 LEU 76 HD21 LEU 76 5.406 15.119 -7.077 602 HD22 LEU 76 HD22 LEU 76 5.707 15.969 -5.552 603 HD23 LEU 76 HD23 LEU 76 6.557 16.468 -7.027 604 H VAL 77 H VAL 77 5.881 19.287 -3.618 605 HA VAL 77 HA VAL 77 6.512 16.799 -2.256 606 HB VAL 77 HB VAL 77 7.062 19.668 -1.352 607 HG11 VAL 77 HG11 VAL 77 8.127 17.065 -0.186 608 HG12 VAL 77 HG12 VAL 77 8.806 18.663 0.154 609 HG13 VAL 77 HG13 VAL 77 7.157 18.299 0.662 610 HG21 VAL 77 HG21 VAL 77 9.361 19.163 -2.073 611 HG22 VAL 77 HG22 VAL 77 8.858 17.552 -2.615 612 HG23 VAL 77 HG23 VAL 77 8.231 19.008 -3.424 613 H THR 78 H THR 78 4.472 19.486 -1.238 614 HA THR 78 HA THR 78 3.763 18.292 1.241 615 HB THR 78 HB THR 78 2.152 20.303 -0.402 616 HG1 THR 78 HG1 THR 78 4.140 21.087 -0.081 617 HG21 THR 78 HG21 THR 78 0.837 19.444 1.517 618 HG22 THR 78 HG22 THR 78 1.351 21.114 1.803 619 HG23 THR 78 HG23 THR 78 2.202 19.780 2.608 620 H ALA 79 H ALA 79 2.339 17.960 -1.941 621 HA ALA 79 HA ALA 79 0.017 16.581 -0.788 622 HB1 ALA 79 HB1 ALA 79 -0.714 16.336 -3.153 623 HB2 ALA 79 HB2 ALA 79 -0.202 18.009 -2.846 624 HB3 ALA 79 HB3 ALA 79 0.880 16.891 -3.712 625 H ILE 80 H ILE 80 3.057 15.674 -2.062 626 HA ILE 80 HA ILE 80 2.291 12.809 -2.340 627 HB ILE 80 HB ILE 80 4.946 14.222 -2.662 628 HG12 ILE 80 HG12 ILE 80 3.263 14.717 -4.471 629 HG13 ILE 80 HG13 ILE 80 4.729 13.910 -5.016 630 HG21 ILE 80 HG21 ILE 80 5.316 11.879 -1.953 631 HG22 ILE 80 HG22 ILE 80 4.214 11.300 -3.190 632 HG23 ILE 80 HG23 ILE 80 5.745 12.087 -3.648 633 HD11 ILE 80 HD11 ILE 80 2.674 13.126 -6.136 634 HD12 ILE 80 HD12 ILE 80 3.527 11.820 -5.310 635 HD13 ILE 80 HD13 ILE 80 2.055 12.525 -4.586 636 H LYS 81 H LYS 81 3.760 15.006 -0.015 637 HA LYS 81 HA LYS 81 4.811 12.932 1.755 638 HB2 LYS 81 HB2 LYS 81 5.282 15.541 1.774 639 HB3 LYS 81 HB3 LYS 81 3.725 15.714 2.525 640 HG2 LYS 81 HG2 LYS 81 4.897 15.794 4.401 641 HG3 LYS 81 HG3 LYS 81 4.815 14.045 4.333 642 HD2 LYS 81 HD2 LYS 81 7.029 14.897 4.969 643 HD3 LYS 81 HD3 LYS 81 7.125 13.944 3.504 644 HE2 LYS 81 HE2 LYS 81 7.349 15.937 2.125 645 HE3 LYS 81 HE3 LYS 81 7.052 16.988 3.523 646 HZ1 LYS 81 HZ1 LYS 81 9.477 16.674 2.892 647 HZ2 LYS 81 HZ2 LYS 81 9.378 15.138 3.278 648 HZ3 LYS 81 HZ3 LYS 81 9.167 16.280 4.453 649 H ALA 82 H ALA 82 1.844 14.675 1.552 650 HA ALA 82 HA ALA 82 0.469 13.390 3.770 651 HB1 ALA 82 HB1 ALA 82 -1.565 14.398 2.758 652 HB2 ALA 82 HB2 ALA 82 -0.249 15.587 2.871 653 HB3 ALA 82 HB3 ALA 82 -0.637 14.836 1.308 654 H ALA 83 H ALA 83 0.308 12.850 0.204 655 HA ALA 83 HA ALA 83 -1.410 10.617 0.384 656 HB1 ALA 83 HB1 ALA 83 -0.993 11.884 -1.701 657 HB2 ALA 83 HB2 ALA 83 0.668 11.246 -1.752 658 HB3 ALA 83 HB3 ALA 83 -0.718 10.148 -1.931 659 H LEU 84 H LEU 84 2.046 10.804 0.712 660 HA LEU 84 HA LEU 84 2.553 7.960 0.591 661 HB2 LEU 84 HB2 LEU 84 4.267 9.873 0.448 662 HB3 LEU 84 HB3 LEU 84 4.165 10.018 2.191 663 HG LEU 84 HG LEU 84 6.089 8.897 1.282 664 HD11 LEU 84 HD11 LEU 84 6.253 6.947 2.668 665 HD12 LEU 84 HD12 LEU 84 4.490 6.757 2.730 666 HD13 LEU 84 HD13 LEU 84 5.268 8.144 3.524 667 HD21 LEU 84 HD21 LEU 84 6.067 7.151 -0.212 668 HD22 LEU 84 HD22 LEU 84 4.575 7.909 -0.671 669 HD23 LEU 84 HD23 LEU 84 4.521 6.480 0.377 670 H ALA 85 H ALA 85 2.236 10.133 3.362 671 HA ALA 85 HA ALA 85 2.224 8.054 5.331 672 HB1 ALA 85 HB1 ALA 85 2.680 10.449 5.839 673 HB2 ALA 85 HB2 ALA 85 0.984 10.846 5.475 674 HB3 ALA 85 HB3 ALA 85 1.378 9.813 6.868 675 H GLN 86 H GLN 86 -0.266 9.051 3.295 676 HA GLN 86 HA GLN 86 -2.482 7.769 4.798 677 HB2 GLN 86 HB2 GLN 86 -2.326 8.978 2.011 678 HB3 GLN 86 HB3 GLN 86 -3.759 8.139 2.614 679 HG2 GLN 86 HG2 GLN 86 -3.999 9.738 4.451 680 HG3 GLN 86 HG3 GLN 86 -2.517 10.563 3.985 681 HE21 GLN 86 HE21 GLN 86 -5.975 10.430 3.422 682 HE22 GLN 86 HE22 GLN 86 -5.872 11.617 2.101 683 H CYS 87 H CYS 87 -0.761 7.132 1.856 684 HA CYS 87 HA CYS 87 -1.789 4.481 1.394 685 HB2 CYS 87 HB2 CYS 87 -0.531 6.256 -0.117 686 HB3 CYS 87 HB3 CYS 87 0.938 5.428 0.407 687 HG CYS 87 HG CYS 87 0.116 4.676 -2.025 688 H GLN 88 H GLN 88 0.819 5.579 3.393 689 HA GLN 88 HA GLN 88 2.006 2.954 3.745 690 HB2 GLN 88 HB2 GLN 88 3.124 5.124 4.270 691 HB3 GLN 88 HB3 GLN 88 2.104 5.275 5.719 692 HG2 GLN 88 HG2 GLN 88 3.047 3.206 6.645 693 HG3 GLN 88 HG3 GLN 88 3.920 2.875 5.135 694 HE21 GLN 88 HE21 GLN 88 5.400 4.971 4.462 695 HE22 GLN 88 HE22 GLN 88 6.320 5.497 5.887 Start of MODEL 4 1 H1 MET 1 H1 MET 1 2.257 -1.285 0.523 2 H2 MET 1 H2 MET 1 1.484 -0.068 -0.297 3 H3 MET 1 H3 MET 1 0.866 -0.628 1.090 4 HA MET 1 HA MET 1 1.823 1.420 1.581 5 HB2 MET 1 HB2 MET 1 3.245 0.805 3.401 6 HB3 MET 1 HB3 MET 1 1.963 -0.386 3.193 7 HG2 MET 1 HG2 MET 1 3.869 -1.642 1.775 8 HG3 MET 1 HG3 MET 1 4.903 -0.726 2.865 9 HE1 MET 1 HE1 MET 1 4.751 -0.956 5.584 10 HE2 MET 1 HE2 MET 1 3.000 -0.658 5.547 11 HE3 MET 1 HE3 MET 1 3.634 -2.074 6.399 12 H ALA 2 H ALA 2 2.358 1.921 -0.808 13 HA ALA 2 HA ALA 2 4.910 3.135 -0.864 14 HB1 ALA 2 HB1 ALA 2 5.624 2.198 -3.068 15 HB2 ALA 2 HB2 ALA 2 5.631 0.940 -1.818 16 HB3 ALA 2 HB3 ALA 2 4.302 1.025 -3.005 17 H LEU 3 H LEU 3 4.908 4.559 -3.020 18 HA LEU 3 HA LEU 3 2.208 4.846 -4.150 19 HB2 LEU 3 HB2 LEU 3 4.023 6.794 -2.896 20 HB3 LEU 3 HB3 LEU 3 3.922 7.079 -4.611 21 HG LEU 3 HG LEU 3 2.295 8.495 -3.646 22 HD11 LEU 3 HD11 LEU 3 0.116 7.809 -4.323 23 HD12 LEU 3 HD12 LEU 3 0.501 6.100 -4.189 24 HD13 LEU 3 HD13 LEU 3 1.246 7.073 -5.482 25 HD21 LEU 3 HD21 LEU 3 1.373 6.179 -1.902 26 HD22 LEU 3 HD22 LEU 3 0.687 7.820 -1.908 27 HD23 LEU 3 HD23 LEU 3 2.355 7.568 -1.380 28 H ALA 4 H ALA 4 2.286 5.472 -6.352 29 HA ALA 4 HA ALA 4 4.736 4.737 -7.912 30 HB1 ALA 4 HB1 ALA 4 3.155 2.841 -7.825 31 HB2 ALA 4 HB2 ALA 4 1.856 3.882 -8.460 32 HB3 ALA 4 HB3 ALA 4 3.275 3.495 -9.454 33 H VAL 5 H VAL 5 5.351 6.285 -9.351 34 HA VAL 5 HA VAL 5 3.372 8.332 -10.213 35 HB VAL 5 HB VAL 5 6.135 8.927 -9.267 36 HG11 VAL 5 HG11 VAL 5 5.572 11.239 -9.118 37 HG12 VAL 5 HG12 VAL 5 5.205 10.705 -10.752 38 HG13 VAL 5 HG13 VAL 5 3.898 10.928 -9.563 39 HG21 VAL 5 HG21 VAL 5 3.550 9.263 -7.751 40 HG22 VAL 5 HG22 VAL 5 4.892 8.198 -7.284 41 HG23 VAL 5 HG23 VAL 5 5.097 9.945 -7.223 42 H ARG 6 H ARG 6 3.806 9.433 -12.011 43 HA ARG 6 HA ARG 6 5.797 8.518 -14.011 44 HB2 ARG 6 HB2 ARG 6 2.977 7.793 -14.027 45 HB3 ARG 6 HB3 ARG 6 3.329 8.834 -15.407 46 HG2 ARG 6 HG2 ARG 6 3.561 6.447 -15.960 47 HG3 ARG 6 HG3 ARG 6 5.063 7.353 -16.183 48 HD2 ARG 6 HD2 ARG 6 5.604 5.250 -15.327 49 HD3 ARG 6 HD3 ARG 6 5.995 6.484 -14.137 50 HE ARG 6 HE ARG 6 3.385 5.277 -13.688 51 HH11 ARG 6 HH11 ARG 6 6.736 5.172 -12.783 52 HH12 ARG 6 HH12 ARG 6 6.515 3.950 -11.596 53 HH21 ARG 6 HH21 ARG 6 3.143 3.852 -11.893 54 HH22 ARG 6 HH22 ARG 6 4.658 3.442 -11.054 55 H VAL 7 H VAL 7 5.626 9.836 -16.042 56 HA VAL 7 HA VAL 7 5.142 12.671 -15.773 57 HB VAL 7 HB VAL 7 8.078 11.825 -15.929 58 HG11 VAL 7 HG11 VAL 7 6.754 14.580 -15.932 59 HG12 VAL 7 HG12 VAL 7 8.506 14.279 -15.874 60 HG13 VAL 7 HG13 VAL 7 7.574 13.828 -17.296 61 HG21 VAL 7 HG21 VAL 7 8.447 13.086 -13.880 62 HG22 VAL 7 HG22 VAL 7 6.693 13.308 -13.694 63 HG23 VAL 7 HG23 VAL 7 7.405 11.682 -13.605 64 H VAL 8 H VAL 8 4.032 12.446 -17.744 65 HA VAL 8 HA VAL 8 5.452 11.264 -20.061 66 HB VAL 8 HB VAL 8 3.116 10.787 -19.919 67 HG11 VAL 8 HG11 VAL 8 1.349 12.400 -20.265 68 HG12 VAL 8 HG12 VAL 8 2.228 12.707 -18.766 69 HG13 VAL 8 HG13 VAL 8 2.522 13.731 -20.199 70 HG21 VAL 8 HG21 VAL 8 2.484 11.287 -22.183 71 HG22 VAL 8 HG22 VAL 8 3.542 12.712 -22.237 72 HG23 VAL 8 HG23 VAL 8 4.240 11.079 -22.170 73 H TYR 9 H TYR 9 6.695 12.351 -21.445 74 HA TYR 9 HA TYR 9 5.989 15.061 -22.128 75 HB2 TYR 9 HB2 TYR 9 7.303 15.503 -20.066 76 HB3 TYR 9 HB3 TYR 9 8.646 14.594 -20.735 77 HD1 TYR 9 HD1 TYR 9 6.440 17.311 -22.159 78 HD2 TYR 9 HD2 TYR 9 10.428 16.036 -21.148 79 HE1 TYR 9 HE1 TYR 9 7.363 19.436 -23.095 80 HE2 TYR 9 HE2 TYR 9 11.344 18.169 -22.065 81 HH TYR 9 HH TYR 9 9.295 20.493 -23.772 82 H SER 10 H SER 10 7.838 15.936 -23.660 83 HA SER 10 HA SER 10 8.592 13.976 -25.723 84 HB2 SER 10 HB2 SER 10 7.772 16.172 -26.449 85 HB3 SER 10 HB3 SER 10 9.027 16.978 -25.470 86 HG SER 10 HG SER 10 9.195 15.637 -27.885 87 H GLY 11 H GLY 11 10.435 12.951 -25.540 88 HA2 GLY 11 HA2 GLY 11 12.616 13.514 -23.759 89 HA3 GLY 11 HA3 GLY 11 12.680 12.412 -25.130 90 H ALA 12 H ALA 12 11.852 15.488 -26.296 91 HA ALA 12 HA ALA 12 14.102 15.143 -28.032 92 HB1 ALA 12 HB1 ALA 12 11.856 15.774 -28.801 93 HB2 ALA 12 HB2 ALA 12 11.986 17.337 -27.959 94 HB3 ALA 12 HB3 ALA 12 13.058 16.965 -29.325 95 H CYS 13 H CYS 13 13.789 17.318 -25.343 96 HA CYS 13 HA CYS 13 16.382 18.601 -26.103 97 HB2 CYS 13 HB2 CYS 13 14.456 19.999 -26.903 98 HB3 CYS 13 HB3 CYS 13 13.972 20.210 -25.201 99 HG CYS 13 HG CYS 13 16.747 21.063 -26.811 100 H GLY 14 H GLY 14 17.495 17.510 -24.555 101 HA2 GLY 14 HA2 GLY 14 18.519 17.246 -22.488 102 HA3 GLY 14 HA3 GLY 14 17.812 18.818 -22.087 103 H TYR 15 H TYR 15 15.657 16.146 -22.757 104 HA TYR 15 HA TYR 15 14.112 16.674 -20.557 105 HB2 TYR 15 HB2 TYR 15 12.756 14.944 -21.186 106 HB3 TYR 15 HB3 TYR 15 13.617 15.279 -22.689 107 HD1 TYR 15 HD1 TYR 15 15.736 13.753 -23.180 108 HD2 TYR 15 HD2 TYR 15 12.695 12.808 -20.249 109 HE1 TYR 15 HE1 TYR 15 16.606 11.419 -22.998 110 HE2 TYR 15 HE2 TYR 15 13.535 10.488 -20.118 111 HH TYR 15 HH TYR 15 14.922 8.922 -21.394 112 H LYS 16 H LYS 16 16.524 14.080 -20.654 113 HA LYS 16 HA LYS 16 15.874 12.849 -18.269 114 HB2 LYS 16 HB2 LYS 16 17.562 12.224 -20.162 115 HB3 LYS 16 HB3 LYS 16 18.793 12.880 -19.086 116 HG2 LYS 16 HG2 LYS 16 16.752 10.739 -18.307 117 HG3 LYS 16 HG3 LYS 16 18.309 10.357 -19.033 118 HD2 LYS 16 HD2 LYS 16 17.932 11.756 -16.351 119 HD3 LYS 16 HD3 LYS 16 18.261 10.052 -16.564 120 HE2 LYS 16 HE2 LYS 16 20.109 12.322 -17.434 121 HE3 LYS 16 HE3 LYS 16 20.279 11.369 -15.951 122 HZ1 LYS 16 HZ1 LYS 16 21.710 10.514 -17.710 123 HZ2 LYS 16 HZ2 LYS 16 20.423 10.259 -18.700 124 HZ3 LYS 16 HZ3 LYS 16 20.586 9.385 -17.322 125 HA PRO 17 HA PRO 17 18.567 15.539 -15.398 126 HB2 PRO 17 HB2 PRO 17 19.440 18.007 -16.246 127 HB3 PRO 17 HB3 PRO 17 20.416 16.505 -16.293 128 HG2 PRO 17 HG2 PRO 17 18.814 17.762 -18.532 129 HG3 PRO 17 HG3 PRO 17 20.491 17.133 -18.589 130 HD2 PRO 17 HD2 PRO 17 18.430 15.622 -19.474 131 HD3 PRO 17 HD3 PRO 17 19.761 14.890 -18.539 132 H LYS 18 H LYS 18 16.478 17.184 -17.794 133 HA LYS 18 HA LYS 18 15.209 19.057 -16.065 134 HB2 LYS 18 HB2 LYS 18 15.084 18.589 -18.706 135 HB3 LYS 18 HB3 LYS 18 13.672 17.634 -18.253 136 HG2 LYS 18 HG2 LYS 18 12.930 19.761 -18.926 137 HG3 LYS 18 HG3 LYS 18 12.695 19.692 -17.179 138 HD2 LYS 18 HD2 LYS 18 14.390 21.239 -16.748 139 HD3 LYS 18 HD3 LYS 18 15.286 20.879 -18.225 140 HE2 LYS 18 HE2 LYS 18 12.570 22.260 -18.219 141 HE3 LYS 18 HE3 LYS 18 14.098 23.140 -18.119 142 HZ1 LYS 18 HZ1 LYS 18 13.381 21.322 -20.359 143 HZ2 LYS 18 HZ2 LYS 18 14.749 22.217 -20.253 144 HZ3 LYS 18 HZ3 LYS 18 13.298 22.962 -20.410 145 H TYR 19 H TYR 19 14.305 15.716 -16.813 146 HA TYR 19 HA TYR 19 12.152 15.335 -14.994 147 HB2 TYR 19 HB2 TYR 19 14.166 13.566 -16.401 148 HB3 TYR 19 HB3 TYR 19 13.216 12.903 -15.081 149 HD1 TYR 19 HD2 TYR 19 12.001 15.378 -17.658 150 HD2 TYR 19 HD1 TYR 19 11.914 11.313 -16.177 151 HE1 TYR 19 HE2 TYR 19 10.120 14.858 -19.161 152 HE2 TYR 19 HE1 TYR 19 10.056 10.798 -17.762 153 HH TYR 19 HH TYR 19 8.248 12.000 -18.913 154 H LEU 20 H LEU 20 15.640 14.512 -14.594 155 HA LEU 20 HA LEU 20 15.522 13.617 -11.944 156 HB2 LEU 20 HB2 LEU 20 17.681 14.926 -13.537 157 HB3 LEU 20 HB3 LEU 20 17.949 14.550 -11.849 158 HG LEU 20 HG LEU 20 17.077 12.450 -13.881 159 HD11 LEU 20 HD11 LEU 20 19.276 13.354 -14.494 160 HD12 LEU 20 HD12 LEU 20 19.442 11.709 -13.829 161 HD13 LEU 20 HD13 LEU 20 19.853 13.120 -12.830 162 HD21 LEU 20 HD21 LEU 20 18.253 12.228 -11.068 163 HD22 LEU 20 HD22 LEU 20 17.941 10.863 -12.159 164 HD23 LEU 20 HD23 LEU 20 16.595 11.814 -11.530 165 H GLN 21 H GLN 21 15.809 17.019 -12.970 166 HA GLN 21 HA GLN 21 16.393 17.828 -10.290 167 HB2 GLN 21 HB2 GLN 21 16.345 19.094 -12.812 168 HB3 GLN 21 HB3 GLN 21 15.086 19.948 -11.927 169 HG2 GLN 21 HG2 GLN 21 17.990 19.548 -11.051 170 HG3 GLN 21 HG3 GLN 21 17.327 21.020 -11.769 171 HE21 GLN 21 HE21 GLN 21 14.953 21.505 -10.309 172 HE22 GLN 21 HE22 GLN 21 15.457 21.647 -8.631 173 H LEU 22 H LEU 22 13.396 16.918 -11.665 174 HA LEU 22 HA LEU 22 11.908 17.855 -9.257 175 HB2 LEU 22 HB2 LEU 22 10.982 18.162 -11.593 176 HB3 LEU 22 HB3 LEU 22 10.807 16.410 -11.713 177 HG LEU 22 HG LEU 22 9.580 17.944 -9.385 178 HD11 LEU 22 HD11 LEU 22 7.516 18.264 -10.675 179 HD12 LEU 22 HD12 LEU 22 8.304 17.598 -12.125 180 HD13 LEU 22 HD13 LEU 22 8.862 19.132 -11.421 181 HD21 LEU 22 HD21 LEU 22 8.738 15.419 -10.885 182 HD22 LEU 22 HD22 LEU 22 7.827 16.172 -9.560 183 HD23 LEU 22 HD23 LEU 22 9.424 15.496 -9.246 184 H LYS 23 H LYS 23 12.892 14.829 -11.011 185 HA LYS 23 HA LYS 23 11.585 12.952 -9.247 186 HB2 LYS 23 HB2 LYS 23 13.698 12.921 -11.448 187 HB3 LYS 23 HB3 LYS 23 13.568 11.611 -10.332 188 HG2 LYS 23 HG2 LYS 23 10.990 12.281 -11.502 189 HG3 LYS 23 HG3 LYS 23 12.207 11.965 -12.756 190 HD2 LYS 23 HD2 LYS 23 11.524 10.159 -10.436 191 HD3 LYS 23 HD3 LYS 23 11.044 9.871 -12.116 192 HE2 LYS 23 HE2 LYS 23 13.225 9.309 -12.783 193 HE3 LYS 23 HE3 LYS 23 13.976 10.108 -11.401 194 HZ1 LYS 23 HZ1 LYS 23 12.315 7.692 -11.020 195 HZ2 LYS 23 HZ2 LYS 23 13.191 8.502 -9.909 196 HZ3 LYS 23 HZ3 LYS 23 13.977 7.688 -11.028 197 H GLU 24 H GLU 24 14.990 13.752 -9.651 198 HA GLU 24 HA GLU 24 16.265 12.297 -7.620 199 HB2 GLU 24 HB2 GLU 24 17.193 13.999 -9.447 200 HB3 GLU 24 HB3 GLU 24 16.718 15.215 -8.286 201 HG2 GLU 24 HG2 GLU 24 18.319 13.837 -6.650 202 HG3 GLU 24 HG3 GLU 24 19.056 13.367 -8.199 203 H LYS 25 H LYS 25 14.642 15.404 -7.376 204 HA LYS 25 HA LYS 25 15.248 15.991 -4.606 205 HB2 LYS 25 HB2 LYS 25 13.875 17.208 -6.911 206 HB3 LYS 25 HB3 LYS 25 12.850 17.315 -5.489 207 HG2 LYS 25 HG2 LYS 25 14.279 19.289 -5.739 208 HG3 LYS 25 HG3 LYS 25 14.565 18.404 -4.229 209 HD2 LYS 25 HD2 LYS 25 16.624 19.334 -5.344 210 HD3 LYS 25 HD3 LYS 25 16.700 17.599 -5.002 211 HE2 LYS 25 HE2 LYS 25 16.210 17.059 -7.327 212 HE3 LYS 25 HE3 LYS 25 15.973 18.774 -7.725 213 HZ1 LYS 25 HZ1 LYS 25 18.278 19.166 -7.445 214 HZ2 LYS 25 HZ2 LYS 25 18.233 17.719 -8.232 215 HZ3 LYS 25 HZ3 LYS 25 18.544 17.663 -6.707 216 H LEU 26 H LEU 26 12.346 14.749 -6.133 217 HA LEU 26 HA LEU 26 10.759 14.235 -3.814 218 HB2 LEU 26 HB2 LEU 26 10.884 13.558 -6.743 219 HB3 LEU 26 HB3 LEU 26 9.919 12.526 -5.745 220 HG LEU 26 HG LEU 26 8.839 14.379 -6.994 221 HD11 LEU 26 HD11 LEU 26 7.143 14.816 -5.263 222 HD12 LEU 26 HD12 LEU 26 8.286 14.288 -4.011 223 HD13 LEU 26 HD13 LEU 26 7.694 13.127 -5.229 224 HD21 LEU 26 HD21 LEU 26 8.635 16.607 -5.954 225 HD22 LEU 26 HD22 LEU 26 10.323 16.280 -6.373 226 HD23 LEU 26 HD23 LEU 26 9.795 16.142 -4.693 227 H GLU 27 H GLU 27 12.686 11.979 -5.793 228 HA GLU 27 HA GLU 27 12.611 9.782 -3.961 229 HB2 GLU 27 HB2 GLU 27 14.235 10.691 -6.337 230 HB3 GLU 27 HB3 GLU 27 14.971 9.477 -5.323 231 HG2 GLU 27 HG2 GLU 27 13.434 7.853 -5.824 232 HG3 GLU 27 HG3 GLU 27 12.107 8.972 -6.106 233 H HIS 28 H HIS 28 14.859 12.574 -3.891 234 HA HIS 28 HA HIS 28 16.343 11.546 -1.637 235 HB2 HIS 28 HB2 HIS 28 17.202 13.387 -2.912 236 HB3 HIS 28 HB3 HIS 28 15.774 14.360 -2.624 237 HD1 HIS 28 HD1 HIS 28 16.855 12.891 0.608 238 HD2 HIS 28 HD2 HIS 28 17.457 16.289 -1.758 239 HE1 HIS 28 HE1 HIS 28 18.013 14.621 2.111 240 H GLU 29 H GLU 29 13.388 13.431 -1.939 241 HA GLU 29 HA GLU 29 12.949 14.190 0.746 242 HB2 GLU 29 HB2 GLU 29 11.612 14.591 -1.586 243 HB3 GLU 29 HB3 GLU 29 10.557 13.358 -0.921 244 HG2 GLU 29 HG2 GLU 29 9.652 15.481 -0.394 245 HG3 GLU 29 HG3 GLU 29 10.078 14.562 1.031 246 H PHE 30 H PHE 30 11.975 11.366 -0.986 247 HA PHE 30 HA PHE 30 11.813 9.633 1.403 248 HB2 PHE 30 HB2 PHE 30 9.356 9.016 0.529 249 HB3 PHE 30 HB3 PHE 30 9.737 10.154 1.798 250 HD1 PHE 30 HD1 PHE 30 9.442 10.286 -1.983 251 HD2 PHE 30 HD2 PHE 30 8.631 12.164 1.805 252 HE1 PHE 30 HE1 PHE 30 8.304 12.123 -3.142 253 HE2 PHE 30 HE2 PHE 30 7.445 14.004 0.617 254 HZ PHE 30 HZ PHE 30 7.277 14.000 -1.840 255 HA PRO 31 HA PRO 31 13.152 7.369 -2.379 256 HB2 PRO 31 HB2 PRO 31 15.151 5.865 -1.184 257 HB3 PRO 31 HB3 PRO 31 15.376 7.484 -1.895 258 HG2 PRO 31 HG2 PRO 31 14.953 6.731 1.007 259 HG3 PRO 31 HG3 PRO 31 16.100 7.931 0.328 260 HD2 PRO 31 HD2 PRO 31 13.708 8.628 1.452 261 HD3 PRO 31 HD3 PRO 31 14.407 9.539 0.080 262 H GLY 32 H GLY 32 12.334 5.494 -2.991 263 HA2 GLY 32 HA2 GLY 32 11.554 3.340 -3.054 264 HA3 GLY 32 HA3 GLY 32 12.256 3.087 -1.449 265 H CYS 33 H CYS 33 10.446 5.218 -0.289 266 HA CYS 33 HA CYS 33 7.958 3.791 -0.015 267 HB2 CYS 33 HB2 CYS 33 8.483 6.704 0.534 268 HB3 CYS 33 HB3 CYS 33 7.148 5.699 1.141 269 HG CYS 33 HG CYS 33 8.861 6.180 3.114 270 H LEU 34 H LEU 34 9.277 5.697 -2.519 271 HA LEU 34 HA LEU 34 6.717 5.635 -3.969 272 HB2 LEU 34 HB2 LEU 34 8.791 7.842 -3.718 273 HB3 LEU 34 HB3 LEU 34 8.030 7.483 -5.273 274 HG LEU 34 HG LEU 34 5.829 7.691 -4.166 275 HD11 LEU 34 HD11 LEU 34 6.262 7.659 -1.795 276 HD12 LEU 34 HD12 LEU 34 5.674 9.268 -2.204 277 HD13 LEU 34 HD13 LEU 34 7.412 8.992 -1.932 278 HD21 LEU 34 HD21 LEU 34 5.730 10.025 -4.530 279 HD22 LEU 34 HD22 LEU 34 6.920 9.378 -5.643 280 HD23 LEU 34 HD23 LEU 34 7.480 10.214 -4.180 281 H ASP 35 H ASP 35 6.814 4.987 -5.871 282 HA ASP 35 HA ASP 35 9.271 4.437 -7.463 283 HB2 ASP 35 HB2 ASP 35 7.777 2.599 -7.666 284 HB3 ASP 35 HB3 ASP 35 6.408 3.651 -7.517 285 H ILE 36 H ILE 36 9.557 5.708 -9.080 286 HA ILE 36 HA ILE 36 7.646 7.608 -10.140 287 HB ILE 36 HB ILE 36 10.322 8.665 -9.450 288 HG12 ILE 36 HG12 ILE 36 7.898 9.179 -7.718 289 HG13 ILE 36 HG13 ILE 36 9.359 8.286 -7.273 290 HG21 ILE 36 HG21 ILE 36 7.710 10.155 -10.100 291 HG22 ILE 36 HG22 ILE 36 9.314 10.871 -10.038 292 HG23 ILE 36 HG23 ILE 36 8.898 9.739 -11.325 293 HD11 ILE 36 HD11 ILE 36 9.669 10.380 -6.310 294 HD12 ILE 36 HD12 ILE 36 10.682 10.441 -7.771 295 HD13 ILE 36 HD13 ILE 36 9.107 11.257 -7.748 296 H CYS 37 H CYS 37 7.780 7.395 -12.072 297 HA CYS 37 HA CYS 37 10.238 7.079 -13.758 298 HB2 CYS 37 HB2 CYS 37 9.105 4.805 -13.248 299 HB3 CYS 37 HB3 CYS 37 7.873 5.332 -14.421 300 HG CYS 37 HG CYS 37 9.712 3.681 -15.479 301 H GLY 38 H GLY 38 9.184 7.047 -16.195 302 HA2 GLY 38 HA2 GLY 38 6.888 8.702 -16.584 303 HA3 GLY 38 HA3 GLY 38 8.337 9.697 -16.773 304 H GLU 39 H GLU 39 6.427 9.368 -18.706 305 HA GLU 39 HA GLU 39 7.299 7.453 -20.750 306 HB2 GLU 39 HB2 GLU 39 4.908 9.325 -20.753 307 HB3 GLU 39 HB3 GLU 39 5.177 7.890 -21.737 308 HG2 GLU 39 HG2 GLU 39 3.694 7.034 -20.266 309 HG3 GLU 39 HG3 GLU 39 5.169 6.637 -19.399 310 H GLY 40 H GLY 40 9.127 9.164 -20.363 311 HA2 GLY 40 HA2 GLY 40 9.188 11.630 -21.890 312 HA3 GLY 40 HA3 GLY 40 10.594 10.787 -21.227 313 H THR 41 H THR 41 8.407 11.025 -23.943 314 HA THR 41 HA THR 41 9.882 8.916 -25.444 315 HB THR 41 HB THR 41 7.627 8.840 -26.737 316 HG1 THR 41 HG1 THR 41 6.714 10.004 -24.326 317 HG21 THR 41 HG21 THR 41 7.783 7.950 -23.835 318 HG22 THR 41 HG22 THR 41 8.362 7.052 -25.251 319 HG23 THR 41 HG23 THR 41 6.626 7.362 -25.046 320 HA PRO 42 HA PRO 42 10.869 11.604 -28.789 321 HB2 PRO 42 HB2 PRO 42 11.108 9.950 -30.925 322 HB3 PRO 42 HB3 PRO 42 12.175 9.825 -29.494 323 HG2 PRO 42 HG2 PRO 42 9.672 8.200 -30.075 324 HG3 PRO 42 HG3 PRO 42 11.300 7.598 -29.621 325 HD2 PRO 42 HD2 PRO 42 9.321 7.956 -27.782 326 HD3 PRO 42 HD3 PRO 42 11.036 8.282 -27.386 327 H GLN 43 H GLN 43 8.755 12.705 -28.485 328 HA GLN 43 HA GLN 43 7.342 12.713 -31.099 329 HB2 GLN 43 HB2 GLN 43 6.010 11.504 -29.235 330 HB3 GLN 43 HB3 GLN 43 5.810 13.097 -28.497 331 HG2 GLN 43 HG2 GLN 43 4.722 13.891 -30.622 332 HG3 GLN 43 HG3 GLN 43 4.938 12.283 -31.317 333 HE21 GLN 43 HE21 GLN 43 3.967 10.450 -29.552 334 HE22 GLN 43 HE22 GLN 43 2.326 10.950 -29.127 335 H VAL 44 H VAL 44 6.503 14.790 -31.697 336 HA VAL 44 HA VAL 44 8.054 17.079 -30.802 337 HB VAL 44 HB VAL 44 5.564 17.027 -32.562 338 HG11 VAL 44 HG11 VAL 44 6.153 19.316 -31.881 339 HG12 VAL 44 HG12 VAL 44 7.845 19.044 -32.346 340 HG13 VAL 44 HG13 VAL 44 6.563 19.078 -33.577 341 HG21 VAL 44 HG21 VAL 44 7.162 17.003 -34.477 342 HG22 VAL 44 HG22 VAL 44 8.499 16.743 -33.339 343 HG23 VAL 44 HG23 VAL 44 7.229 15.513 -33.544 344 H THR 45 H THR 45 4.846 15.839 -30.016 345 HA THR 45 HA THR 45 3.760 18.215 -28.965 346 HB THR 45 HB THR 45 2.772 15.485 -28.125 347 HG1 THR 45 HG1 THR 45 2.284 14.929 -30.030 348 HG21 THR 45 HG21 THR 45 1.321 17.904 -29.285 349 HG22 THR 45 HG22 THR 45 1.581 17.688 -27.546 350 HG23 THR 45 HG23 THR 45 0.611 16.504 -28.452 351 H GLY 46 H GLY 46 5.304 19.020 -27.483 352 HA2 GLY 46 HA2 GLY 46 6.273 17.575 -25.210 353 HA3 GLY 46 HA3 GLY 46 6.379 19.321 -25.461 354 H PHE 47 H PHE 47 3.597 17.084 -24.788 355 HA PHE 47 HA PHE 47 2.616 18.929 -22.690 356 HB2 PHE 47 HB2 PHE 47 0.804 17.384 -22.330 357 HB3 PHE 47 HB3 PHE 47 0.904 17.951 -23.992 358 HD1 PHE 47 HD1 PHE 47 1.766 16.384 -25.788 359 HD2 PHE 47 HD2 PHE 47 0.754 15.018 -21.833 360 HE1 PHE 47 HE1 PHE 47 1.524 14.073 -26.657 361 HE2 PHE 47 HE2 PHE 47 0.484 12.721 -22.706 362 HZ PHE 47 HZ PHE 47 0.880 12.233 -25.108 363 H PHE 48 H PHE 48 4.084 19.039 -21.144 364 HA PHE 48 HA PHE 48 5.318 16.725 -19.855 365 HB2 PHE 48 HB2 PHE 48 6.331 19.089 -20.223 366 HB3 PHE 48 HB3 PHE 48 5.387 19.572 -18.827 367 HD1 PHE 48 HD1 PHE 48 5.676 17.933 -16.676 368 HD2 PHE 48 HD2 PHE 48 8.566 18.465 -19.838 369 HE1 PHE 48 HE1 PHE 48 7.486 17.193 -15.159 370 HE2 PHE 48 HE2 PHE 48 10.355 17.718 -18.317 371 HZ PHE 48 HZ PHE 48 9.824 17.086 -15.968 372 H GLU 49 H GLU 49 3.553 15.430 -18.914 373 HA GLU 49 HA GLU 49 2.029 16.873 -16.780 374 HB2 GLU 49 HB2 GLU 49 1.091 14.656 -18.623 375 HB3 GLU 49 HB3 GLU 49 0.228 15.456 -17.336 376 HG2 GLU 49 HG2 GLU 49 0.674 17.664 -18.666 377 HG3 GLU 49 HG3 GLU 49 1.120 16.614 -19.991 378 H VAL 50 H VAL 50 1.821 16.022 -14.805 379 HA VAL 50 HA VAL 50 3.514 13.577 -14.246 380 HB VAL 50 HB VAL 50 3.217 15.978 -12.431 381 HG11 VAL 50 HG11 VAL 50 5.025 13.557 -12.271 382 HG12 VAL 50 HG12 VAL 50 5.182 15.006 -11.257 383 HG13 VAL 50 HG13 VAL 50 3.731 14.005 -11.155 384 HG21 VAL 50 HG21 VAL 50 4.525 16.601 -14.483 385 HG22 VAL 50 HG22 VAL 50 5.523 16.586 -13.022 386 HG23 VAL 50 HG23 VAL 50 5.591 15.232 -14.171 387 H THR 51 H THR 51 2.476 11.890 -13.275 388 HA THR 51 HA THR 51 -0.074 12.311 -11.933 389 HB THR 51 HB THR 51 -0.333 9.976 -12.938 390 HG1 THR 51 HG1 THR 51 1.083 10.009 -15.007 391 HG21 THR 51 HG21 THR 51 -0.024 12.272 -14.912 392 HG22 THR 51 HG22 THR 51 -1.469 11.928 -13.934 393 HG23 THR 51 HG23 THR 51 -0.957 10.785 -15.186 394 H VAL 52 H VAL 52 -0.448 11.179 -10.045 395 HA VAL 52 HA VAL 52 1.464 9.107 -9.079 396 HB VAL 52 HB VAL 52 1.939 11.120 -7.904 397 HG11 VAL 52 HG11 VAL 52 -0.965 11.273 -6.960 398 HG12 VAL 52 HG12 VAL 52 0.351 12.383 -6.569 399 HG13 VAL 52 HG13 VAL 52 -0.274 12.301 -8.218 400 HG21 VAL 52 HG21 VAL 52 1.818 8.951 -6.584 401 HG22 VAL 52 HG22 VAL 52 1.626 10.418 -5.608 402 HG23 VAL 52 HG23 VAL 52 0.213 9.445 -6.033 403 H ALA 53 H ALA 53 0.543 7.247 -8.647 404 HA ALA 53 HA ALA 53 -1.046 5.593 -8.678 405 HB1 ALA 53 HB1 ALA 53 -2.356 7.421 -6.641 406 HB2 ALA 53 HB2 ALA 53 -2.636 5.676 -6.821 407 HB3 ALA 53 HB3 ALA 53 -1.039 6.268 -6.333 408 H GLY 54 H GLY 54 -1.488 7.589 -10.788 409 HA2 GLY 54 HA2 GLY 54 -3.026 7.651 -12.575 410 HA3 GLY 54 HA3 GLY 54 -4.275 6.950 -11.540 411 H LYS 55 H LYS 55 -2.872 9.557 -9.899 412 HA LYS 55 HA LYS 55 -4.971 11.502 -10.704 413 HB2 LYS 55 HB2 LYS 55 -3.237 11.599 -8.290 414 HB3 LYS 55 HB3 LYS 55 -4.716 12.489 -8.576 415 HG2 LYS 55 HG2 LYS 55 -4.444 9.487 -8.054 416 HG3 LYS 55 HG3 LYS 55 -5.026 10.717 -6.927 417 HD2 LYS 55 HD2 LYS 55 -6.977 11.162 -8.376 418 HD3 LYS 55 HD3 LYS 55 -6.375 9.990 -9.573 419 HE2 LYS 55 HE2 LYS 55 -6.440 8.203 -7.836 420 HE3 LYS 55 HE3 LYS 55 -7.146 9.359 -6.693 421 HZ1 LYS 55 HZ1 LYS 55 -8.362 8.528 -9.273 422 HZ2 LYS 55 HZ2 LYS 55 -9.023 9.611 -8.228 423 HZ3 LYS 55 HZ3 LYS 55 -8.854 8.034 -7.787 424 H LEU 56 H LEU 56 -4.342 13.098 -12.045 425 HA LEU 56 HA LEU 56 -1.564 13.878 -12.474 426 HB2 LEU 56 HB2 LEU 56 -3.127 14.000 -14.217 427 HB3 LEU 56 HB3 LEU 56 -4.228 15.073 -13.331 428 HG LEU 56 HG LEU 56 -1.387 15.929 -13.904 429 HD11 LEU 56 HD11 LEU 56 -2.235 15.078 -16.061 430 HD12 LEU 56 HD12 LEU 56 -2.060 16.826 -16.097 431 HD13 LEU 56 HD13 LEU 56 -3.676 16.108 -15.914 432 HD21 LEU 56 HD21 LEU 56 -2.417 18.173 -14.093 433 HD22 LEU 56 HD22 LEU 56 -2.851 17.446 -12.544 434 HD23 LEU 56 HD23 LEU 56 -4.030 17.465 -13.862 435 H VAL 57 H VAL 57 -0.444 15.330 -11.609 436 HA VAL 57 HA VAL 57 -1.581 17.214 -9.535 437 HB VAL 57 HB VAL 57 1.329 16.446 -9.444 438 HG11 VAL 57 HG11 VAL 57 -0.756 17.139 -7.319 439 HG12 VAL 57 HG12 VAL 57 0.958 16.821 -7.007 440 HG13 VAL 57 HG13 VAL 57 0.492 18.239 -7.953 441 HG21 VAL 57 HG21 VAL 57 -0.889 14.746 -8.243 442 HG22 VAL 57 HG22 VAL 57 0.307 14.242 -9.466 443 HG23 VAL 57 HG23 VAL 57 0.839 14.634 -7.831 444 H HIS 58 H HIS 58 0.331 16.873 -12.364 445 HA HIS 58 HA HIS 58 0.717 19.830 -12.592 446 HB2 HIS 58 HB2 HIS 58 2.774 18.487 -11.856 447 HB3 HIS 58 HB3 HIS 58 2.651 17.711 -13.440 448 HD1 HIS 58 HD1 HIS 58 3.180 21.406 -12.296 449 HD2 HIS 58 HD2 HIS 58 3.981 18.622 -15.361 450 HE1 HIS 58 HE1 HIS 58 5.182 22.280 -13.616 451 H SER 59 H SER 59 0.736 20.585 -14.667 452 HA SER 59 HA SER 59 0.732 18.827 -16.977 453 HB2 SER 59 HB2 SER 59 -1.735 18.999 -16.208 454 HB3 SER 59 HB3 SER 59 -1.565 20.701 -16.440 455 HG SER 59 HG SER 59 -1.648 18.721 -18.416 456 H LYS 60 H LYS 60 2.291 20.011 -18.244 457 HA LYS 60 HA LYS 60 2.127 22.902 -18.427 458 HB2 LYS 60 HB2 LYS 60 3.676 20.719 -19.721 459 HB3 LYS 60 HB3 LYS 60 3.422 22.112 -20.761 460 HG2 LYS 60 HG2 LYS 60 4.355 22.573 -17.912 461 HG3 LYS 60 HG3 LYS 60 5.488 21.964 -19.103 462 HD2 LYS 60 HD2 LYS 60 5.620 24.393 -18.861 463 HD3 LYS 60 HD3 LYS 60 5.263 23.866 -20.512 464 HE2 LYS 60 HE2 LYS 60 2.911 24.479 -20.253 465 HE3 LYS 60 HE3 LYS 60 3.178 24.951 -18.573 466 HZ1 LYS 60 HZ1 LYS 60 4.389 26.250 -20.955 467 HZ2 LYS 60 HZ2 LYS 60 4.678 26.706 -19.401 468 HZ3 LYS 60 HZ3 LYS 60 3.181 26.866 -20.041 469 H LYS 61 H LYS 61 0.185 20.489 -20.038 470 HA LYS 61 HA LYS 61 -0.620 22.457 -22.118 471 HB2 LYS 61 HB2 LYS 61 -1.875 20.865 -23.162 472 HB3 LYS 61 HB3 LYS 61 -0.495 19.956 -22.535 473 HG2 LYS 61 HG2 LYS 61 -2.012 19.290 -20.586 474 HG3 LYS 61 HG3 LYS 61 -3.360 20.004 -21.487 475 HD2 LYS 61 HD2 LYS 61 -2.807 18.431 -23.396 476 HD3 LYS 61 HD3 LYS 61 -1.550 17.716 -22.363 477 HE2 LYS 61 HE2 LYS 61 -3.470 17.416 -20.623 478 HE3 LYS 61 HE3 LYS 61 -4.568 17.647 -22.001 479 HZ1 LYS 61 HZ1 LYS 61 -2.467 15.613 -21.603 480 HZ2 LYS 61 HZ2 LYS 61 -3.250 15.743 -23.049 481 HZ3 LYS 61 HZ3 LYS 61 -4.057 15.299 -21.658 482 H ARG 62 H ARG 62 -1.953 21.384 -18.980 483 HA ARG 62 HA ARG 62 -4.363 22.973 -19.361 484 HB2 ARG 62 HB2 ARG 62 -5.136 21.864 -17.614 485 HB3 ARG 62 HB3 ARG 62 -3.761 20.811 -17.859 486 HG2 ARG 62 HG2 ARG 62 -3.588 21.097 -15.609 487 HG3 ARG 62 HG3 ARG 62 -2.576 22.455 -16.142 488 HD2 ARG 62 HD2 ARG 62 -5.111 23.544 -16.051 489 HD3 ARG 62 HD3 ARG 62 -5.160 22.401 -14.711 490 HE ARG 62 HE ARG 62 -2.986 23.458 -13.942 491 HH11 ARG 62 HH11 ARG 62 -4.844 25.504 -16.055 492 HH12 ARG 62 HH12 ARG 62 -4.667 26.926 -15.064 493 HH21 ARG 62 HH21 ARG 62 -2.482 25.347 -12.892 494 HH22 ARG 62 HH22 ARG 62 -3.119 26.848 -13.486 495 H GLY 63 H GLY 63 -1.238 23.740 -18.276 496 HA2 GLY 63 HA2 GLY 63 -0.575 26.093 -18.189 497 HA3 GLY 63 HA3 GLY 63 -2.158 26.505 -17.523 498 H ASP 64 H ASP 64 -0.327 23.683 -16.315 499 HA ASP 64 HA ASP 64 -0.101 24.919 -13.661 500 HB2 ASP 64 HB2 ASP 64 -0.402 22.382 -14.398 501 HB3 ASP 64 HB3 ASP 64 1.368 22.411 -14.438 502 H GLY 65 H GLY 65 2.222 23.915 -16.179 503 HA2 GLY 65 HA2 GLY 65 4.300 24.713 -16.791 504 HA3 GLY 65 HA3 GLY 65 3.967 26.187 -15.860 505 H TYR 66 H TYR 66 6.461 24.848 -16.159 506 HA TYR 66 HA TYR 66 7.287 23.123 -14.164 507 HB2 TYR 66 HB2 TYR 66 9.044 25.284 -15.325 508 HB3 TYR 66 HB3 TYR 66 9.475 23.644 -14.856 509 HD1 TYR 66 HD2 TYR 66 8.227 21.679 -16.181 510 HD2 TYR 66 HD1 TYR 66 8.793 25.718 -17.604 511 HE1 TYR 66 HE2 TYR 66 7.979 20.889 -18.505 512 HE2 TYR 66 HE1 TYR 66 8.554 24.908 -19.961 513 HH TYR 66 HH TYR 66 8.246 21.482 -20.768 514 H VAL 67 H VAL 67 9.408 23.942 -12.718 515 HA VAL 67 HA VAL 67 7.995 25.375 -10.591 516 HB VAL 67 HB VAL 67 9.739 24.983 -9.152 517 HG11 VAL 67 HG11 VAL 67 9.356 22.483 -9.004 518 HG12 VAL 67 HG12 VAL 67 7.880 23.392 -9.382 519 HG13 VAL 67 HG13 VAL 67 8.738 22.506 -10.657 520 HG21 VAL 67 HG21 VAL 67 11.065 23.243 -11.319 521 HG22 VAL 67 HG22 VAL 67 11.769 24.721 -10.638 522 HG23 VAL 67 HG23 VAL 67 11.550 23.306 -9.612 523 H ASP 68 H ASP 68 7.784 27.139 -11.765 524 HA ASP 68 HA ASP 68 9.730 29.196 -12.267 525 HB2 ASP 68 HB2 ASP 68 6.791 29.275 -11.746 526 HB3 ASP 68 HB3 ASP 68 7.735 30.597 -12.386 527 H THR 69 H THR 69 8.095 28.052 -9.369 528 HA THR 69 HA THR 69 9.622 30.012 -7.785 529 HB THR 69 HB THR 69 7.084 29.530 -6.526 530 HG1 THR 69 HG1 THR 69 6.906 30.865 -8.990 531 HG21 THR 69 HG21 THR 69 8.613 31.384 -5.968 532 HG22 THR 69 HG22 THR 69 6.999 31.989 -6.388 533 HG23 THR 69 HG23 THR 69 8.326 32.108 -7.568 534 H GLU 70 H GLU 70 9.999 29.391 -5.720 535 HA GLU 70 HA GLU 70 10.383 26.788 -4.793 536 HB2 GLU 70 HB2 GLU 70 11.063 29.026 -3.832 537 HB3 GLU 70 HB3 GLU 70 9.448 29.325 -3.300 538 HG2 GLU 70 HG2 GLU 70 11.068 26.924 -2.377 539 HG3 GLU 70 HG3 GLU 70 11.094 28.482 -1.537 540 H SER 71 H SER 71 7.852 28.837 -4.020 541 HA SER 71 HA SER 71 6.030 27.141 -2.775 542 HB2 SER 71 HB2 SER 71 5.937 29.742 -3.389 543 HB3 SER 71 HB3 SER 71 4.822 29.190 -4.641 544 HG SER 71 HG SER 71 3.575 29.573 -2.873 545 H LYS 72 H LYS 72 6.535 27.378 -6.226 546 HA LYS 72 HA LYS 72 4.178 25.794 -6.877 547 HB2 LYS 72 HB2 LYS 72 5.415 27.520 -8.490 548 HB3 LYS 72 HB3 LYS 72 6.315 26.060 -8.952 549 HG2 LYS 72 HG2 LYS 72 3.913 24.918 -8.992 550 HG3 LYS 72 HG3 LYS 72 3.295 26.567 -8.995 551 HD2 LYS 72 HD2 LYS 72 5.111 25.281 -11.060 552 HD3 LYS 72 HD3 LYS 72 3.372 25.532 -11.214 553 HE2 LYS 72 HE2 LYS 72 3.748 28.020 -11.002 554 HE3 LYS 72 HE3 LYS 72 5.497 27.703 -11.024 555 HZ1 LYS 72 HZ1 LYS 72 3.618 26.957 -13.198 556 HZ2 LYS 72 HZ2 LYS 72 5.205 26.552 -13.105 557 HZ3 LYS 72 HZ3 LYS 72 4.849 28.111 -13.283 558 H PHE 73 H PHE 73 7.611 25.206 -6.473 559 HA PHE 73 HA PHE 73 7.564 22.352 -7.104 560 HB2 PHE 73 HB2 PHE 73 9.666 23.609 -7.048 561 HB3 PHE 73 HB3 PHE 73 9.406 24.085 -5.402 562 HD1 PHE 73 HD1 PHE 73 9.444 20.774 -7.258 563 HD2 PHE 73 HD2 PHE 73 10.819 23.094 -3.880 564 HE1 PHE 73 HE1 PHE 73 10.778 18.840 -6.454 565 HE2 PHE 73 HE2 PHE 73 12.153 21.158 -3.102 566 HZ PHE 73 HZ PHE 73 12.104 19.038 -4.345 567 H ARG 74 H ARG 74 7.379 24.166 -4.063 568 HA ARG 74 HA ARG 74 6.956 22.051 -2.275 569 HB2 ARG 74 HB2 ARG 74 7.609 24.364 -1.693 570 HB3 ARG 74 HB3 ARG 74 5.982 24.931 -2.079 571 HG2 ARG 74 HG2 ARG 74 5.011 23.808 -0.221 572 HG3 ARG 74 HG3 ARG 74 6.420 22.770 0.012 573 HD2 ARG 74 HD2 ARG 74 6.135 24.615 1.735 574 HD3 ARG 74 HD3 ARG 74 7.715 24.476 0.961 575 HE ARG 74 HE ARG 74 7.523 26.490 -0.016 576 HH11 ARG 74 HH11 ARG 74 4.250 25.730 0.958 577 HH12 ARG 74 HH12 ARG 74 3.659 27.294 0.403 578 HH21 ARG 74 HH21 ARG 74 6.746 28.325 -0.618 579 HH22 ARG 74 HH22 ARG 74 5.029 28.588 -0.814 580 H LYS 75 H LYS 75 4.540 23.632 -4.281 581 HA LYS 75 HA LYS 75 2.188 22.588 -3.026 582 HB2 LYS 75 HB2 LYS 75 1.887 24.359 -4.496 583 HB3 LYS 75 HB3 LYS 75 2.949 23.712 -5.729 584 HG2 LYS 75 HG2 LYS 75 0.287 22.354 -5.217 585 HG3 LYS 75 HG3 LYS 75 0.374 23.887 -6.072 586 HD2 LYS 75 HD2 LYS 75 2.168 22.713 -7.591 587 HD3 LYS 75 HD3 LYS 75 1.444 21.208 -6.975 588 HE2 LYS 75 HE2 LYS 75 -0.809 22.022 -7.708 589 HE3 LYS 75 HE3 LYS 75 -0.077 23.520 -8.281 590 HZ1 LYS 75 HZ1 LYS 75 0.343 20.822 -9.481 591 HZ2 LYS 75 HZ2 LYS 75 1.167 22.176 -9.959 592 HZ3 LYS 75 HZ3 LYS 75 -0.391 22.091 -10.167 593 H LEU 76 H LEU 76 4.499 21.139 -5.216 594 HA LEU 76 HA LEU 76 2.842 18.673 -5.432 595 HB2 LEU 76 HB2 LEU 76 4.236 19.952 -7.308 596 HB3 LEU 76 HB3 LEU 76 5.621 19.102 -6.635 597 HG LEU 76 HG LEU 76 3.131 17.565 -7.448 598 HD11 LEU 76 HD11 LEU 76 3.630 19.005 -9.365 599 HD12 LEU 76 HD12 LEU 76 4.045 17.326 -9.727 600 HD13 LEU 76 HD13 LEU 76 5.330 18.488 -9.340 601 HD21 LEU 76 HD21 LEU 76 4.727 15.780 -7.975 602 HD22 LEU 76 HD22 LEU 76 4.981 16.344 -6.313 603 HD23 LEU 76 HD23 LEU 76 6.094 16.855 -7.593 604 H VAL 77 H VAL 77 5.920 19.723 -4.156 605 HA VAL 77 HA VAL 77 6.665 17.166 -3.012 606 HB VAL 77 HB VAL 77 7.294 19.953 -1.936 607 HG11 VAL 77 HG11 VAL 77 9.236 18.888 -0.801 608 HG12 VAL 77 HG12 VAL 77 7.707 18.294 -0.156 609 HG13 VAL 77 HG13 VAL 77 8.641 17.303 -1.300 610 HG21 VAL 77 HG21 VAL 77 9.462 19.678 -3.012 611 HG22 VAL 77 HG22 VAL 77 8.998 18.090 -3.639 612 HG23 VAL 77 HG23 VAL 77 8.190 19.560 -4.230 613 H THR 78 H THR 78 4.654 19.754 -1.670 614 HA THR 78 HA THR 78 4.250 18.435 0.821 615 HB THR 78 HB THR 78 2.427 20.475 -0.537 616 HG1 THR 78 HG1 THR 78 4.372 21.335 -0.298 617 HG21 THR 78 HG21 THR 78 1.295 19.425 1.397 618 HG22 THR 78 HG22 THR 78 1.782 21.079 1.795 619 HG23 THR 78 HG23 THR 78 2.733 19.709 2.408 620 H ALA 79 H ALA 79 2.568 18.171 -2.262 621 HA ALA 79 HA ALA 79 0.362 16.761 -0.952 622 HB1 ALA 79 HB1 ALA 79 -0.033 18.160 -3.001 623 HB2 ALA 79 HB2 ALA 79 1.023 17.071 -3.930 624 HB3 ALA 79 HB3 ALA 79 -0.515 16.472 -3.268 625 H ILE 80 H ILE 80 3.288 15.911 -2.495 626 HA ILE 80 HA ILE 80 2.579 13.026 -2.613 627 HB ILE 80 HB ILE 80 5.197 14.468 -3.094 628 HG12 ILE 80 HG12 ILE 80 3.480 15.013 -4.805 629 HG13 ILE 80 HG13 ILE 80 4.840 14.102 -5.455 630 HG21 ILE 80 HG21 ILE 80 5.872 12.294 -4.170 631 HG22 ILE 80 HG22 ILE 80 5.623 12.135 -2.430 632 HG23 ILE 80 HG23 ILE 80 4.384 11.553 -3.529 633 HD11 ILE 80 HD11 ILE 80 3.461 12.077 -5.582 634 HD12 ILE 80 HD12 ILE 80 2.099 12.935 -4.813 635 HD13 ILE 80 HD13 ILE 80 2.680 13.424 -6.414 636 H LYS 81 H LYS 81 4.210 15.237 -0.372 637 HA LYS 81 HA LYS 81 5.299 13.076 1.310 638 HB2 LYS 81 HB2 LYS 81 6.002 15.580 1.192 639 HB3 LYS 81 HB3 LYS 81 4.602 15.936 2.189 640 HG2 LYS 81 HG2 LYS 81 5.423 14.559 4.004 641 HG3 LYS 81 HG3 LYS 81 6.739 13.903 3.021 642 HD2 LYS 81 HD2 LYS 81 6.476 16.875 3.602 643 HD3 LYS 81 HD3 LYS 81 7.303 15.789 4.716 644 HE2 LYS 81 HE2 LYS 81 8.128 15.614 1.827 645 HE3 LYS 81 HE3 LYS 81 8.511 17.119 2.648 646 HZ1 LYS 81 HZ1 LYS 81 9.705 15.827 4.341 647 HZ2 LYS 81 HZ2 LYS 81 10.315 15.608 2.876 648 HZ3 LYS 81 HZ3 LYS 81 9.411 14.409 3.503 649 H ALA 82 H ALA 82 2.441 15.021 1.201 650 HA ALA 82 HA ALA 82 1.083 14.058 3.574 651 HB1 ALA 82 HB1 ALA 82 -0.945 15.013 2.530 652 HB2 ALA 82 HB2 ALA 82 0.418 16.146 2.457 653 HB3 ALA 82 HB3 ALA 82 -0.067 15.242 1.007 654 H ALA 83 H ALA 83 0.678 13.127 0.116 655 HA ALA 83 HA ALA 83 -1.065 10.946 0.600 656 HB1 ALA 83 HB1 ALA 83 -0.480 10.257 -1.700 657 HB2 ALA 83 HB2 ALA 83 -0.737 12.011 -1.616 658 HB3 ALA 83 HB3 ALA 83 0.918 11.356 -1.682 659 H LEU 84 H LEU 84 2.391 11.112 0.606 660 HA LEU 84 HA LEU 84 2.972 8.301 0.985 661 HB2 LEU 84 HB2 LEU 84 4.726 9.803 0.363 662 HB3 LEU 84 HB3 LEU 84 4.435 10.859 1.728 663 HG LEU 84 HG LEU 84 5.247 9.280 3.300 664 HD11 LEU 84 HD11 LEU 84 6.284 7.123 2.611 665 HD12 LEU 84 HD12 LEU 84 5.746 7.406 0.925 666 HD13 LEU 84 HD13 LEU 84 4.572 7.092 2.212 667 HD21 LEU 84 HD21 LEU 84 7.059 9.516 0.910 668 HD22 LEU 84 HD22 LEU 84 7.582 9.129 2.575 669 HD23 LEU 84 HD23 LEU 84 6.839 10.699 2.227 670 H ALA 85 H ALA 85 2.885 10.919 3.318 671 HA ALA 85 HA ALA 85 3.020 9.340 5.649 672 HB1 ALA 85 HB1 ALA 85 2.154 11.296 6.882 673 HB2 ALA 85 HB2 ALA 85 3.329 11.789 5.646 674 HB3 ALA 85 HB3 ALA 85 1.586 12.012 5.358 675 H GLN 86 H GLN 86 0.329 9.700 3.666 676 HA GLN 86 HA GLN 86 -1.631 8.457 5.511 677 HB2 GLN 86 HB2 GLN 86 -1.807 9.257 2.585 678 HB3 GLN 86 HB3 GLN 86 -3.122 8.472 3.470 679 HG2 GLN 86 HG2 GLN 86 -3.287 10.332 5.029 680 HG3 GLN 86 HG3 GLN 86 -1.869 11.115 4.341 681 HE21 GLN 86 HE21 GLN 86 -5.267 11.202 4.251 682 HE22 GLN 86 HE22 GLN 86 -5.315 12.014 2.669 683 H CYS 87 H CYS 87 0.080 7.593 2.606 684 HA CYS 87 HA CYS 87 -0.622 4.811 2.483 685 HB2 CYS 87 HB2 CYS 87 0.560 6.313 0.765 686 HB3 CYS 87 HB3 CYS 87 2.069 5.885 1.592 687 HG CYS 87 HG CYS 87 1.471 4.326 -0.656 688 H GLN 88 H GLN 88 1.701 6.470 4.448 689 HA GLN 88 HA GLN 88 3.063 4.101 5.437 690 HB2 GLN 88 HB2 GLN 88 2.853 6.941 6.501 691 HB3 GLN 88 HB3 GLN 88 3.745 5.663 7.344 692 HG2 GLN 88 HG2 GLN 88 5.069 5.240 5.240 693 HG3 GLN 88 HG3 GLN 88 4.280 6.643 4.509 694 HE21 GLN 88 HE21 GLN 88 6.041 5.839 7.605 695 HE22 GLN 88 HE22 GLN 88 7.001 7.334 7.465 Start of MODEL 5 1 H1 MET 1 H1 MET 1 0.229 1.168 0.077 2 H2 MET 1 H2 MET 1 0.909 0.390 1.338 3 H3 MET 1 H3 MET 1 -0.082 -0.426 0.291 4 HA MET 1 HA MET 1 2.317 -0.891 -0.085 5 HB2 MET 1 HB2 MET 1 0.622 0.372 -2.273 6 HB3 MET 1 HB3 MET 1 2.189 -0.371 -2.603 7 HG2 MET 1 HG2 MET 1 1.409 -2.504 -1.623 8 HG3 MET 1 HG3 MET 1 -0.175 -1.802 -1.378 9 HE1 MET 1 HE1 MET 1 -1.694 -3.289 -2.638 10 HE2 MET 1 HE2 MET 1 -1.255 -4.105 -4.156 11 HE3 MET 1 HE3 MET 1 -0.302 -4.396 -2.681 12 H ALA 2 H ALA 2 3.986 0.347 -1.875 13 HA ALA 2 HA ALA 2 4.636 3.043 -0.987 14 HB1 ALA 2 HB1 ALA 2 5.954 2.977 -3.153 15 HB2 ALA 2 HB2 ALA 2 6.329 1.634 -2.061 16 HB3 ALA 2 HB3 ALA 2 5.271 1.387 -3.479 17 H LEU 3 H LEU 3 4.584 4.714 -2.964 18 HA LEU 3 HA LEU 3 1.862 4.784 -4.125 19 HB2 LEU 3 HB2 LEU 3 3.266 6.771 -2.631 20 HB3 LEU 3 HB3 LEU 3 3.537 7.178 -4.309 21 HG LEU 3 HG LEU 3 1.669 8.434 -3.533 22 HD11 LEU 3 HD11 LEU 3 1.273 7.401 -5.786 23 HD12 LEU 3 HD12 LEU 3 -0.199 7.782 -4.868 24 HD13 LEU 3 HD13 LEU 3 0.350 6.108 -4.982 25 HD21 LEU 3 HD21 LEU 3 -0.304 7.440 -2.442 26 HD22 LEU 3 HD22 LEU 3 1.179 7.124 -1.530 27 HD23 LEU 3 HD23 LEU 3 0.460 5.834 -2.513 28 H ALA 4 H ALA 4 1.898 5.600 -6.312 29 HA ALA 4 HA ALA 4 4.445 5.276 -7.833 30 HB1 ALA 4 HB1 ALA 4 1.740 4.194 -8.705 31 HB2 ALA 4 HB2 ALA 4 3.263 4.103 -9.624 32 HB3 ALA 4 HB3 ALA 4 3.108 3.227 -8.093 33 H VAL 5 H VAL 5 4.988 6.772 -9.205 34 HA VAL 5 HA VAL 5 3.024 8.859 -10.024 35 HB VAL 5 HB VAL 5 5.908 9.333 -9.446 36 HG11 VAL 5 HG11 VAL 5 4.958 11.052 -10.911 37 HG12 VAL 5 HG12 VAL 5 3.694 11.377 -9.698 38 HG13 VAL 5 HG13 VAL 5 5.395 11.701 -9.337 39 HG21 VAL 5 HG21 VAL 5 5.412 10.365 -7.332 40 HG22 VAL 5 HG22 VAL 5 3.675 10.136 -7.572 41 HG23 VAL 5 HG23 VAL 5 4.735 8.738 -7.307 42 H ARG 6 H ARG 6 3.370 9.802 -11.963 43 HA ARG 6 HA ARG 6 5.242 8.561 -13.909 44 HB2 ARG 6 HB2 ARG 6 2.259 8.718 -14.433 45 HB3 ARG 6 HB3 ARG 6 3.481 8.256 -15.627 46 HG2 ARG 6 HG2 ARG 6 2.906 6.724 -13.054 47 HG3 ARG 6 HG3 ARG 6 2.247 6.321 -14.643 48 HD2 ARG 6 HD2 ARG 6 4.453 5.835 -15.520 49 HD3 ARG 6 HD3 ARG 6 5.229 6.391 -14.035 50 HE ARG 6 HE ARG 6 3.813 3.833 -14.478 51 HH11 ARG 6 HH11 ARG 6 5.471 5.797 -12.012 52 HH12 ARG 6 HH12 ARG 6 5.918 4.316 -11.173 53 HH21 ARG 6 HH21 ARG 6 4.408 2.065 -13.017 54 HH22 ARG 6 HH22 ARG 6 5.244 2.584 -11.544 55 H VAL 7 H VAL 7 5.475 9.725 -15.871 56 HA VAL 7 HA VAL 7 4.678 12.557 -15.974 57 HB VAL 7 HB VAL 7 7.627 11.773 -16.155 58 HG11 VAL 7 HG11 VAL 7 7.958 14.237 -16.291 59 HG12 VAL 7 HG12 VAL 7 6.976 13.659 -17.635 60 HG13 VAL 7 HG13 VAL 7 6.195 14.472 -16.276 61 HG21 VAL 7 HG21 VAL 7 7.979 13.186 -14.189 62 HG22 VAL 7 HG22 VAL 7 6.220 13.361 -13.997 63 HG23 VAL 7 HG23 VAL 7 6.991 11.769 -13.797 64 H VAL 8 H VAL 8 3.820 12.595 -17.965 65 HA VAL 8 HA VAL 8 5.311 11.294 -20.235 66 HB VAL 8 HB VAL 8 2.906 11.038 -20.295 67 HG11 VAL 8 HG11 VAL 8 1.412 12.862 -20.878 68 HG12 VAL 8 HG12 VAL 8 2.149 13.088 -19.287 69 HG13 VAL 8 HG13 VAL 8 2.743 14.025 -20.688 70 HG21 VAL 8 HG21 VAL 8 2.592 11.566 -22.631 71 HG22 VAL 8 HG22 VAL 8 3.878 12.787 -22.587 72 HG23 VAL 8 HG23 VAL 8 4.268 11.061 -22.390 73 H TYR 9 H TYR 9 6.517 12.478 -21.797 74 HA TYR 9 HA TYR 9 6.028 15.280 -21.954 75 HB2 TYR 9 HB2 TYR 9 7.572 15.329 -20.022 76 HB3 TYR 9 HB3 TYR 9 8.800 14.503 -20.969 77 HD1 TYR 9 HD1 TYR 9 6.485 17.397 -21.726 78 HD2 TYR 9 HD2 TYR 9 10.562 16.058 -21.325 79 HE1 TYR 9 HE1 TYR 9 7.286 19.655 -22.385 80 HE2 TYR 9 HE2 TYR 9 11.364 18.300 -22.019 81 HH TYR 9 HH TYR 9 10.692 20.312 -22.937 82 H SER 10 H SER 10 7.769 16.301 -23.468 83 HA SER 10 HA SER 10 8.008 14.730 -25.978 84 HB2 SER 10 HB2 SER 10 6.941 17.004 -25.869 85 HB3 SER 10 HB3 SER 10 8.513 17.679 -25.388 86 HG SER 10 HG SER 10 7.695 16.485 -27.821 87 H GLY 11 H GLY 11 9.853 13.568 -26.002 88 HA2 GLY 11 HA2 GLY 11 12.092 13.965 -24.274 89 HA3 GLY 11 HA3 GLY 11 12.005 12.833 -25.629 90 H ALA 12 H ALA 12 11.669 16.202 -26.365 91 HA ALA 12 HA ALA 12 13.336 15.822 -28.595 92 HB1 ALA 12 HB1 ALA 12 12.337 18.439 -27.388 93 HB2 ALA 12 HB2 ALA 12 12.902 18.201 -29.058 94 HB3 ALA 12 HB3 ALA 12 11.436 17.378 -28.495 95 H CYS 13 H CYS 13 14.213 17.778 -25.689 96 HA CYS 13 HA CYS 13 17.060 17.400 -26.246 97 HB2 CYS 13 HB2 CYS 13 16.483 19.265 -27.752 98 HB3 CYS 13 HB3 CYS 13 15.786 20.180 -26.396 99 HG CYS 13 HG CYS 13 17.918 20.628 -25.105 100 H GLY 14 H GLY 14 18.332 17.949 -24.423 101 HA2 GLY 14 HA2 GLY 14 18.905 18.163 -22.210 102 HA3 GLY 14 HA3 GLY 14 17.695 19.447 -22.190 103 H TYR 15 H TYR 15 15.876 16.767 -22.712 104 HA TYR 15 HA TYR 15 14.599 17.233 -20.374 105 HB2 TYR 15 HB2 TYR 15 12.993 15.774 -20.946 106 HB3 TYR 15 HB3 TYR 15 13.696 16.152 -22.513 107 HD1 TYR 15 HD2 TYR 15 13.003 13.595 -19.962 108 HD2 TYR 15 HD1 TYR 15 14.956 14.350 -23.744 109 HE1 TYR 15 HE2 TYR 15 12.943 11.169 -20.484 110 HE2 TYR 15 HE1 TYR 15 14.882 11.933 -24.263 111 HH TYR 15 HH TYR 15 13.255 10.019 -23.519 112 H LYS 16 H LYS 16 16.772 14.537 -20.805 113 HA LYS 16 HA LYS 16 16.155 12.931 -18.627 114 HB2 LYS 16 HB2 LYS 16 18.941 13.468 -19.728 115 HB3 LYS 16 HB3 LYS 16 18.555 12.167 -18.591 116 HG2 LYS 16 HG2 LYS 16 17.380 12.415 -21.378 117 HG3 LYS 16 HG3 LYS 16 18.757 11.412 -20.889 118 HD2 LYS 16 HD2 LYS 16 17.130 10.326 -19.161 119 HD3 LYS 16 HD3 LYS 16 15.843 11.100 -20.117 120 HE2 LYS 16 HE2 LYS 16 17.094 10.064 -22.156 121 HE3 LYS 16 HE3 LYS 16 17.912 9.036 -20.971 122 HZ1 LYS 16 HZ1 LYS 16 15.005 9.129 -21.570 123 HZ2 LYS 16 HZ2 LYS 16 15.603 8.357 -20.236 124 HZ3 LYS 16 HZ3 LYS 16 16.013 7.852 -21.740 125 HA PRO 17 HA PRO 17 18.608 15.140 -15.238 126 HB2 PRO 17 HB2 PRO 17 19.592 17.688 -15.601 127 HB3 PRO 17 HB3 PRO 17 20.531 16.198 -15.929 128 HG2 PRO 17 HG2 PRO 17 18.964 17.883 -17.913 129 HG3 PRO 17 HG3 PRO 17 20.653 17.292 -18.054 130 HD2 PRO 17 HD2 PRO 17 18.638 15.952 -19.247 131 HD3 PRO 17 HD3 PRO 17 19.941 15.062 -18.409 132 H LYS 18 H LYS 18 16.628 17.246 -17.398 133 HA LYS 18 HA LYS 18 15.403 18.714 -15.215 134 HB2 LYS 18 HB2 LYS 18 15.186 18.722 -18.061 135 HB3 LYS 18 HB3 LYS 18 13.562 18.376 -17.465 136 HG2 LYS 18 HG2 LYS 18 15.303 20.735 -16.614 137 HG3 LYS 18 HG3 LYS 18 14.036 20.790 -17.836 138 HD2 LYS 18 HD2 LYS 18 12.330 20.232 -16.106 139 HD3 LYS 18 HD3 LYS 18 13.604 20.238 -14.867 140 HE2 LYS 18 HE2 LYS 18 14.168 22.603 -15.507 141 HE3 LYS 18 HE3 LYS 18 12.839 22.594 -16.665 142 HZ1 LYS 18 HZ1 LYS 18 11.297 22.303 -14.813 143 HZ2 LYS 18 HZ2 LYS 18 12.193 23.636 -14.561 144 HZ3 LYS 18 HZ3 LYS 18 12.528 22.271 -13.726 145 H TYR 19 H TYR 19 14.544 15.677 -16.801 146 HA TYR 19 HA TYR 19 12.220 14.996 -15.248 147 HB2 TYR 19 HB2 TYR 19 14.131 13.634 -17.088 148 HB3 TYR 19 HB3 TYR 19 13.525 12.606 -15.800 149 HD1 TYR 19 HD2 TYR 19 11.531 15.319 -17.478 150 HD2 TYR 19 HD1 TYR 19 12.290 11.085 -17.041 151 HE1 TYR 19 HE2 TYR 19 9.457 14.813 -18.726 152 HE2 TYR 19 HE1 TYR 19 10.221 10.595 -18.362 153 HH TYR 19 HH TYR 19 7.979 13.090 -19.397 154 H LEU 20 H LEU 20 15.635 13.936 -14.853 155 HA LEU 20 HA LEU 20 15.291 12.561 -12.420 156 HB2 LEU 20 HB2 LEU 20 17.637 14.047 -13.549 157 HB3 LEU 20 HB3 LEU 20 17.779 13.071 -12.131 158 HG LEU 20 HG LEU 20 16.867 11.949 -14.826 159 HD11 LEU 20 HD11 LEU 20 19.121 10.952 -14.965 160 HD12 LEU 20 HD12 LEU 20 19.590 11.802 -13.473 161 HD13 LEU 20 HD13 LEU 20 19.200 12.723 -14.940 162 HD21 LEU 20 HD21 LEU 20 16.081 10.590 -12.926 163 HD22 LEU 20 HD22 LEU 20 17.728 10.551 -12.267 164 HD23 LEU 20 HD23 LEU 20 17.364 9.753 -13.810 165 H GLN 21 H GLN 21 16.150 16.092 -12.789 166 HA GLN 21 HA GLN 21 16.518 16.389 -9.994 167 HB2 GLN 21 HB2 GLN 21 16.161 18.243 -12.390 168 HB3 GLN 21 HB3 GLN 21 16.266 18.874 -10.764 169 HG2 GLN 21 HG2 GLN 21 18.399 17.152 -12.092 170 HG3 GLN 21 HG3 GLN 21 18.481 18.904 -11.828 171 HE21 GLN 21 HE21 GLN 21 19.389 15.858 -10.418 172 HE22 GLN 21 HE22 GLN 21 19.461 16.326 -8.804 173 H LEU 22 H LEU 22 13.587 16.264 -11.795 174 HA LEU 22 HA LEU 22 11.989 17.188 -9.468 175 HB2 LEU 22 HB2 LEU 22 11.115 17.509 -11.797 176 HB3 LEU 22 HB3 LEU 22 11.205 15.763 -12.058 177 HG LEU 22 HG LEU 22 9.519 15.445 -10.194 178 HD11 LEU 22 HD11 LEU 22 9.271 18.473 -10.454 179 HD12 LEU 22 HD12 LEU 22 9.833 17.597 -9.005 180 HD13 LEU 22 HD13 LEU 22 8.165 17.419 -9.557 181 HD21 LEU 22 HD21 LEU 22 8.842 15.419 -12.553 182 HD22 LEU 22 HD22 LEU 22 8.667 17.187 -12.542 183 HD23 LEU 22 HD23 LEU 22 7.595 16.172 -11.548 184 H LYS 23 H LYS 23 12.983 14.160 -11.099 185 HA LYS 23 HA LYS 23 11.331 12.395 -9.536 186 HB2 LYS 23 HB2 LYS 23 13.214 12.258 -11.792 187 HB3 LYS 23 HB3 LYS 23 13.624 11.065 -10.605 188 HG2 LYS 23 HG2 LYS 23 10.953 10.669 -10.751 189 HG3 LYS 23 HG3 LYS 23 11.227 11.333 -12.367 190 HD2 LYS 23 HD2 LYS 23 11.301 8.892 -12.420 191 HD3 LYS 23 HD3 LYS 23 12.930 9.530 -12.781 192 HE2 LYS 23 HE2 LYS 23 13.715 9.095 -10.578 193 HE3 LYS 23 HE3 LYS 23 12.096 9.015 -9.926 194 HZ1 LYS 23 HZ1 LYS 23 11.816 6.880 -11.097 195 HZ2 LYS 23 HZ2 LYS 23 12.889 6.916 -9.903 196 HZ3 LYS 23 HZ3 LYS 23 13.447 6.889 -11.459 197 H GLU 24 H GLU 24 14.815 12.810 -9.549 198 HA GLU 24 HA GLU 24 15.775 11.286 -7.444 199 HB2 GLU 24 HB2 GLU 24 17.006 12.657 -9.169 200 HB3 GLU 24 HB3 GLU 24 16.486 14.113 -8.313 201 HG2 GLU 24 HG2 GLU 24 17.798 13.275 -6.291 202 HG3 GLU 24 HG3 GLU 24 18.503 12.057 -7.388 203 H LYS 25 H LYS 25 14.289 14.524 -7.263 204 HA LYS 25 HA LYS 25 14.815 14.906 -4.406 205 HB2 LYS 25 HB2 LYS 25 13.691 16.456 -6.610 206 HB3 LYS 25 HB3 LYS 25 12.514 16.404 -5.308 207 HG2 LYS 25 HG2 LYS 25 13.959 18.337 -5.039 208 HG3 LYS 25 HG3 LYS 25 14.154 17.192 -3.700 209 HD2 LYS 25 HD2 LYS 25 16.307 18.176 -4.430 210 HD3 LYS 25 HD3 LYS 25 16.305 16.417 -4.626 211 HE2 LYS 25 HE2 LYS 25 15.743 16.717 -7.056 212 HE3 LYS 25 HE3 LYS 25 15.806 18.469 -6.828 213 HZ1 LYS 25 HZ1 LYS 25 18.059 16.521 -6.659 214 HZ2 LYS 25 HZ2 LYS 25 18.194 18.063 -6.076 215 HZ3 LYS 25 HZ3 LYS 25 17.913 17.786 -7.657 216 H LEU 26 H LEU 26 11.950 13.974 -6.185 217 HA LEU 26 HA LEU 26 10.331 13.441 -3.914 218 HB2 LEU 26 HB2 LEU 26 10.084 13.445 -6.744 219 HB3 LEU 26 HB3 LEU 26 9.759 11.781 -6.274 220 HG LEU 26 HG LEU 26 8.075 12.595 -4.670 221 HD11 LEU 26 HD11 LEU 26 8.886 14.949 -4.333 222 HD12 LEU 26 HD12 LEU 26 7.200 14.921 -4.850 223 HD13 LEU 26 HD13 LEU 26 8.487 15.310 -6.018 224 HD21 LEU 26 HD21 LEU 26 7.750 13.468 -7.580 225 HD22 LEU 26 HD22 LEU 26 6.397 13.328 -6.448 226 HD23 LEU 26 HD23 LEU 26 7.331 11.885 -6.875 227 H GLU 27 H GLU 27 12.294 11.183 -5.791 228 HA GLU 27 HA GLU 27 12.088 8.943 -4.031 229 HB2 GLU 27 HB2 GLU 27 13.740 9.865 -6.328 230 HB3 GLU 27 HB3 GLU 27 14.561 8.720 -5.273 231 HG2 GLU 27 HG2 GLU 27 13.015 7.036 -5.577 232 HG3 GLU 27 HG3 GLU 27 11.722 8.102 -6.081 233 H HIS 28 H HIS 28 14.410 11.673 -3.813 234 HA HIS 28 HA HIS 28 15.891 10.571 -1.603 235 HB2 HIS 28 HB2 HIS 28 16.751 12.414 -2.919 236 HB3 HIS 28 HB3 HIS 28 15.359 13.421 -2.542 237 HD1 HIS 28 HD1 HIS 28 16.702 11.789 0.544 238 HD2 HIS 28 HD2 HIS 28 17.013 15.328 -1.670 239 HE1 HIS 28 HE1 HIS 28 17.988 13.453 2.019 240 H GLU 29 H GLU 29 12.982 12.577 -1.866 241 HA GLU 29 HA GLU 29 12.636 13.121 0.912 242 HB2 GLU 29 HB2 GLU 29 11.097 13.415 -1.640 243 HB3 GLU 29 HB3 GLU 29 10.157 13.225 -0.195 244 HG2 GLU 29 HG2 GLU 29 10.270 15.468 -0.173 245 HG3 GLU 29 HG3 GLU 29 11.694 15.150 0.784 246 H PHE 30 H PHE 30 11.462 10.542 -1.162 247 HA PHE 30 HA PHE 30 10.230 9.085 1.142 248 HB2 PHE 30 HB2 PHE 30 9.181 9.228 -1.689 249 HB3 PHE 30 HB3 PHE 30 8.359 8.623 -0.253 250 HD1 PHE 30 HD1 PHE 30 8.163 10.510 1.708 251 HD2 PHE 30 HD2 PHE 30 8.541 11.310 -2.502 252 HE1 PHE 30 HE1 PHE 30 7.200 12.729 2.035 253 HE2 PHE 30 HE2 PHE 30 7.622 13.577 -2.174 254 HZ PHE 30 HZ PHE 30 6.907 14.305 0.063 255 HA PRO 31 HA PRO 31 13.071 6.569 -1.748 256 HB2 PRO 31 HB2 PRO 31 14.893 5.479 -0.000 257 HB3 PRO 31 HB3 PRO 31 15.077 7.045 -0.847 258 HG2 PRO 31 HG2 PRO 31 14.046 6.558 1.969 259 HG3 PRO 31 HG3 PRO 31 15.239 7.788 1.429 260 HD2 PRO 31 HD2 PRO 31 12.642 8.462 1.806 261 HD3 PRO 31 HD3 PRO 31 13.548 9.084 0.391 262 H GLY 32 H GLY 32 12.450 4.739 -2.334 263 HA2 GLY 32 HA2 GLY 32 11.357 2.688 -2.542 264 HA3 GLY 32 HA3 GLY 32 11.978 2.311 -0.928 265 H CYS 33 H CYS 33 10.137 4.862 -0.154 266 HA CYS 33 HA CYS 33 7.646 3.466 0.297 267 HB2 CYS 33 HB2 CYS 33 8.146 6.420 0.460 268 HB3 CYS 33 HB3 CYS 33 6.915 5.447 1.288 269 HG CYS 33 HG CYS 33 8.685 6.311 3.067 270 H LEU 34 H LEU 34 9.075 4.863 -2.429 271 HA LEU 34 HA LEU 34 6.482 5.258 -3.782 272 HB2 LEU 34 HB2 LEU 34 8.258 7.365 -2.777 273 HB3 LEU 34 HB3 LEU 34 8.162 7.416 -4.537 274 HG LEU 34 HG LEU 34 5.564 7.101 -3.073 275 HD11 LEU 34 HD11 LEU 34 6.678 8.811 -1.703 276 HD12 LEU 34 HD12 LEU 34 5.308 9.433 -2.599 277 HD13 LEU 34 HD13 LEU 34 6.971 9.776 -3.167 278 HD21 LEU 34 HD21 LEU 34 6.592 8.795 -5.393 279 HD22 LEU 34 HD22 LEU 34 4.913 8.794 -4.835 280 HD23 LEU 34 HD23 LEU 34 5.635 7.309 -5.511 281 H ASP 35 H ASP 35 6.559 5.507 -5.887 282 HA ASP 35 HA ASP 35 9.000 4.778 -7.502 283 HB2 ASP 35 HB2 ASP 35 7.302 2.951 -7.456 284 HB3 ASP 35 HB3 ASP 35 6.093 4.137 -7.839 285 H ILE 36 H ILE 36 9.303 6.062 -9.174 286 HA ILE 36 HA ILE 36 7.200 7.679 -10.320 287 HB ILE 36 HB ILE 36 9.912 8.847 -10.093 288 HG12 ILE 36 HG12 ILE 36 8.533 10.677 -8.616 289 HG13 ILE 36 HG13 ILE 36 7.769 9.184 -8.070 290 HG21 ILE 36 HG21 ILE 36 8.698 9.643 -12.028 291 HG22 ILE 36 HG22 ILE 36 7.239 9.940 -11.084 292 HG23 ILE 36 HG23 ILE 36 8.664 10.963 -10.861 293 HD11 ILE 36 HD11 ILE 36 10.106 8.258 -7.672 294 HD12 ILE 36 HD12 ILE 36 10.752 9.864 -8.075 295 HD13 ILE 36 HD13 ILE 36 9.691 9.635 -6.654 296 H CYS 37 H CYS 37 7.224 7.237 -12.302 297 HA CYS 37 HA CYS 37 9.652 6.514 -13.918 298 HB2 CYS 37 HB2 CYS 37 6.992 5.065 -13.928 299 HB3 CYS 37 HB3 CYS 37 8.131 4.995 -15.272 300 HG CYS 37 HG CYS 37 8.634 4.141 -12.068 301 H GLY 38 H GLY 38 9.109 6.752 -16.386 302 HA2 GLY 38 HA2 GLY 38 7.004 8.527 -17.126 303 HA3 GLY 38 HA3 GLY 38 8.469 9.483 -16.845 304 H GLU 39 H GLU 39 7.290 9.652 -19.120 305 HA GLU 39 HA GLU 39 8.465 7.914 -21.235 306 HB2 GLU 39 HB2 GLU 39 5.641 8.727 -20.558 307 HB3 GLU 39 HB3 GLU 39 6.082 8.068 -22.147 308 HG2 GLU 39 HG2 GLU 39 6.841 5.985 -21.200 309 HG3 GLU 39 HG3 GLU 39 6.664 6.578 -19.553 310 H GLY 40 H GLY 40 9.739 9.985 -20.924 311 HA2 GLY 40 HA2 GLY 40 9.077 12.358 -22.461 312 HA3 GLY 40 HA3 GLY 40 10.711 11.837 -22.045 313 H THR 41 H THR 41 8.056 11.457 -24.281 314 HA THR 41 HA THR 41 9.446 9.559 -26.059 315 HB THR 41 HB THR 41 6.969 9.495 -26.989 316 HG1 THR 41 HG1 THR 41 6.402 10.319 -24.363 317 HG21 THR 41 HG21 THR 41 6.317 7.879 -25.255 318 HG22 THR 41 HG22 THR 41 7.649 8.426 -24.218 319 HG23 THR 41 HG23 THR 41 7.994 7.632 -25.770 320 HA PRO 42 HA PRO 42 9.382 12.420 -29.559 321 HB2 PRO 42 HB2 PRO 42 9.108 10.781 -31.709 322 HB3 PRO 42 HB3 PRO 42 10.570 10.733 -30.676 323 HG2 PRO 42 HG2 PRO 42 8.123 8.935 -30.512 324 HG3 PRO 42 HG3 PRO 42 9.849 8.444 -30.610 325 HD2 PRO 42 HD2 PRO 42 8.517 8.640 -28.238 326 HD3 PRO 42 HD3 PRO 42 10.248 9.070 -28.374 327 H GLN 43 H GLN 43 7.949 12.807 -31.579 328 HA GLN 43 HA GLN 43 6.093 13.571 -32.502 329 HB2 GLN 43 HB2 GLN 43 4.609 11.211 -31.326 330 HB3 GLN 43 HB3 GLN 43 4.251 12.110 -32.796 331 HG2 GLN 43 HG2 GLN 43 6.551 10.185 -32.312 332 HG3 GLN 43 HG3 GLN 43 5.218 10.014 -33.443 333 HE21 GLN 43 HE21 GLN 43 5.341 11.188 -35.530 334 HE22 GLN 43 HE22 GLN 43 6.892 11.947 -35.922 335 H VAL 44 H VAL 44 5.415 12.910 -29.074 336 HA VAL 44 HA VAL 44 3.185 14.799 -28.989 337 HB VAL 44 HB VAL 44 3.331 14.624 -26.557 338 HG11 VAL 44 HG11 VAL 44 2.738 12.268 -26.361 339 HG12 VAL 44 HG12 VAL 44 2.082 12.934 -27.868 340 HG13 VAL 44 HG13 VAL 44 3.528 11.899 -27.901 341 HG21 VAL 44 HG21 VAL 44 5.737 12.798 -26.978 342 HG22 VAL 44 HG22 VAL 44 5.749 14.386 -26.186 343 HG23 VAL 44 HG23 VAL 44 4.873 13.039 -25.457 344 H THR 45 H THR 45 3.148 16.903 -28.327 345 HA THR 45 HA THR 45 5.728 18.359 -28.535 346 HB THR 45 HB THR 45 4.352 20.119 -29.579 347 HG1 THR 45 HG1 THR 45 2.409 19.617 -28.649 348 HG21 THR 45 HG21 THR 45 5.428 18.367 -31.007 349 HG22 THR 45 HG22 THR 45 3.916 19.006 -31.689 350 HG23 THR 45 HG23 THR 45 3.930 17.415 -30.915 351 H GLY 46 H GLY 46 6.214 18.545 -26.335 352 HA2 GLY 46 HA2 GLY 46 6.509 19.978 -24.550 353 HA3 GLY 46 HA3 GLY 46 5.244 21.009 -25.218 354 H PHE 47 H PHE 47 3.779 18.070 -24.711 355 HA PHE 47 HA PHE 47 2.281 18.868 -22.368 356 HB2 PHE 47 HB2 PHE 47 2.487 16.226 -23.873 357 HB3 PHE 47 HB3 PHE 47 1.355 16.546 -22.565 358 HD1 PHE 47 HD1 PHE 47 2.262 17.571 -26.056 359 HD2 PHE 47 HD2 PHE 47 -0.769 17.474 -22.996 360 HE1 PHE 47 HE1 PHE 47 0.568 18.244 -27.724 361 HE2 PHE 47 HE2 PHE 47 -2.472 18.108 -24.675 362 HZ PHE 47 HZ PHE 47 -1.806 18.508 -27.049 363 H PHE 48 H PHE 48 4.018 19.207 -20.794 364 HA PHE 48 HA PHE 48 5.296 16.792 -19.628 365 HB2 PHE 48 HB2 PHE 48 6.344 19.207 -19.834 366 HB3 PHE 48 HB3 PHE 48 5.392 19.550 -18.404 367 HD1 PHE 48 HD2 PHE 48 5.631 17.805 -16.407 368 HD2 PHE 48 HD1 PHE 48 8.569 18.412 -19.517 369 HE1 PHE 48 HE2 PHE 48 7.403 16.939 -14.919 370 HE2 PHE 48 HE1 PHE 48 10.320 17.541 -18.035 371 HZ PHE 48 HZ PHE 48 9.754 16.795 -15.718 372 H GLU 49 H GLU 49 3.516 15.521 -18.855 373 HA GLU 49 HA GLU 49 1.606 16.937 -16.987 374 HB2 GLU 49 HB2 GLU 49 1.322 15.182 -19.310 375 HB3 GLU 49 HB3 GLU 49 0.481 14.517 -17.918 376 HG2 GLU 49 HG2 GLU 49 0.217 17.366 -18.944 377 HG3 GLU 49 HG3 GLU 49 -0.758 16.043 -19.582 378 H VAL 50 H VAL 50 1.648 16.318 -14.836 379 HA VAL 50 HA VAL 50 3.172 13.779 -14.278 380 HB VAL 50 HB VAL 50 2.970 16.147 -12.426 381 HG11 VAL 50 HG11 VAL 50 3.451 14.109 -11.229 382 HG12 VAL 50 HG12 VAL 50 4.741 13.694 -12.365 383 HG13 VAL 50 HG13 VAL 50 4.907 15.102 -11.293 384 HG21 VAL 50 HG21 VAL 50 5.269 15.402 -14.284 385 HG22 VAL 50 HG22 VAL 50 4.259 16.840 -14.437 386 HG23 VAL 50 HG23 VAL 50 5.326 16.661 -13.032 387 H THR 51 H THR 51 2.209 12.249 -13.199 388 HA THR 51 HA THR 51 -0.424 12.748 -11.914 389 HB THR 51 HB THR 51 0.005 10.066 -13.046 390 HG1 THR 51 HG1 THR 51 -0.113 12.192 -14.910 391 HG21 THR 51 HG21 THR 51 -2.183 10.914 -12.390 392 HG22 THR 51 HG22 THR 51 -2.155 10.430 -14.095 393 HG23 THR 51 HG23 THR 51 -2.101 12.155 -13.670 394 H VAL 52 H VAL 52 -0.735 11.716 -9.928 395 HA VAL 52 HA VAL 52 1.098 9.509 -9.102 396 HB VAL 52 HB VAL 52 1.755 11.503 -7.931 397 HG11 VAL 52 HG11 VAL 52 0.315 12.724 -6.402 398 HG12 VAL 52 HG12 VAL 52 -0.463 12.708 -7.991 399 HG13 VAL 52 HG13 VAL 52 -1.046 11.636 -6.715 400 HG21 VAL 52 HG21 VAL 52 1.617 10.672 -5.630 401 HG22 VAL 52 HG22 VAL 52 0.217 9.686 -6.032 402 HG23 VAL 52 HG23 VAL 52 1.808 9.306 -6.732 403 H ALA 53 H ALA 53 0.137 7.740 -8.433 404 HA ALA 53 HA ALA 53 -1.518 6.132 -8.549 405 HB1 ALA 53 HB1 ALA 53 -1.599 6.647 -6.224 406 HB2 ALA 53 HB2 ALA 53 -2.712 8.014 -6.490 407 HB3 ALA 53 HB3 ALA 53 -3.242 6.339 -6.761 408 H GLY 54 H GLY 54 -1.811 7.908 -10.751 409 HA2 GLY 54 HA2 GLY 54 -3.334 8.338 -12.486 410 HA3 GLY 54 HA3 GLY 54 -4.550 7.423 -11.581 411 H LYS 55 H LYS 55 -2.971 10.225 -10.164 412 HA LYS 55 HA LYS 55 -5.292 12.049 -10.652 413 HB2 LYS 55 HB2 LYS 55 -3.534 11.980 -8.258 414 HB3 LYS 55 HB3 LYS 55 -4.904 13.028 -8.476 415 HG2 LYS 55 HG2 LYS 55 -5.211 9.985 -8.277 416 HG3 LYS 55 HG3 LYS 55 -5.030 11.018 -6.867 417 HD2 LYS 55 HD2 LYS 55 -7.324 10.698 -7.039 418 HD3 LYS 55 HD3 LYS 55 -7.029 12.342 -7.569 419 HE2 LYS 55 HE2 LYS 55 -8.723 11.317 -8.952 420 HE3 LYS 55 HE3 LYS 55 -7.291 11.633 -9.940 421 HZ1 LYS 55 HZ1 LYS 55 -7.775 8.974 -8.721 422 HZ2 LYS 55 HZ2 LYS 55 -6.740 9.376 -9.942 423 HZ3 LYS 55 HZ3 LYS 55 -8.337 9.381 -10.223 424 H LEU 56 H LEU 56 -4.586 13.494 -12.162 425 HA LEU 56 HA LEU 56 -1.941 14.420 -12.635 426 HB2 LEU 56 HB2 LEU 56 -3.310 14.492 -14.375 427 HB3 LEU 56 HB3 LEU 56 -4.776 14.871 -13.483 428 HG LEU 56 HG LEU 56 -3.920 16.475 -15.233 429 HD11 LEU 56 HD11 LEU 56 -4.755 18.423 -14.090 430 HD12 LEU 56 HD12 LEU 56 -4.549 17.653 -12.506 431 HD13 LEU 56 HD13 LEU 56 -5.735 17.014 -13.667 432 HD21 LEU 56 HD21 LEU 56 -2.229 17.746 -13.111 433 HD22 LEU 56 HD22 LEU 56 -2.202 17.916 -14.872 434 HD23 LEU 56 HD23 LEU 56 -1.545 16.452 -14.158 435 H VAL 57 H VAL 57 -0.789 15.789 -11.670 436 HA VAL 57 HA VAL 57 -1.993 17.732 -9.680 437 HB VAL 57 HB VAL 57 0.798 16.624 -9.357 438 HG11 VAL 57 HG11 VAL 57 -1.227 17.827 -7.410 439 HG12 VAL 57 HG12 VAL 57 0.376 17.210 -6.958 440 HG13 VAL 57 HG13 VAL 57 0.249 18.618 -8.009 441 HG21 VAL 57 HG21 VAL 57 -0.124 15.067 -7.626 442 HG22 VAL 57 HG22 VAL 57 -1.759 15.403 -8.248 443 HG23 VAL 57 HG23 VAL 57 -0.536 14.629 -9.284 444 H HIS 58 H HIS 58 0.148 17.271 -12.365 445 HA HIS 58 HA HIS 58 0.802 20.168 -12.415 446 HB2 HIS 58 HB2 HIS 58 2.594 18.478 -11.406 447 HB3 HIS 58 HB3 HIS 58 2.788 18.076 -13.120 448 HD1 HIS 58 HD1 HIS 58 2.443 21.766 -12.009 449 HD2 HIS 58 HD2 HIS 58 5.030 18.928 -13.729 450 HE1 HIS 58 HE1 HIS 58 4.538 23.011 -12.637 451 H SER 59 H SER 59 1.072 21.033 -14.396 452 HA SER 59 HA SER 59 0.890 19.329 -16.804 453 HB2 SER 59 HB2 SER 59 -1.499 19.756 -15.804 454 HB3 SER 59 HB3 SER 59 -1.203 21.406 -16.260 455 HG SER 59 HG SER 59 -1.567 19.168 -17.807 456 H LYS 60 H LYS 60 2.654 20.334 -17.857 457 HA LYS 60 HA LYS 60 2.658 23.185 -18.414 458 HB2 LYS 60 HB2 LYS 60 3.755 20.678 -19.691 459 HB3 LYS 60 HB3 LYS 60 3.715 22.120 -20.687 460 HG2 LYS 60 HG2 LYS 60 4.933 22.100 -17.902 461 HG3 LYS 60 HG3 LYS 60 5.859 21.665 -19.341 462 HD2 LYS 60 HD2 LYS 60 4.472 24.352 -18.973 463 HD3 LYS 60 HD3 LYS 60 6.178 24.013 -18.602 464 HE2 LYS 60 HE2 LYS 60 6.357 23.135 -20.994 465 HE3 LYS 60 HE3 LYS 60 4.804 23.909 -21.317 466 HZ1 LYS 60 HZ1 LYS 60 7.176 25.325 -20.233 467 HZ2 LYS 60 HZ2 LYS 60 5.769 26.036 -20.716 468 HZ3 LYS 60 HZ3 LYS 60 6.774 25.339 -21.818 469 H LYS 61 H LYS 61 0.401 20.765 -19.475 470 HA LYS 61 HA LYS 61 -0.428 22.302 -21.839 471 HB2 LYS 61 HB2 LYS 61 -0.595 19.867 -21.873 472 HB3 LYS 61 HB3 LYS 61 -1.670 19.880 -20.468 473 HG2 LYS 61 HG2 LYS 61 -2.902 19.509 -22.554 474 HG3 LYS 61 HG3 LYS 61 -3.431 20.978 -21.741 475 HD2 LYS 61 HD2 LYS 61 -2.069 22.343 -23.331 476 HD3 LYS 61 HD3 LYS 61 -1.552 20.856 -24.149 477 HE2 LYS 61 HE2 LYS 61 -3.848 20.362 -24.791 478 HE3 LYS 61 HE3 LYS 61 -4.469 21.674 -23.779 479 HZ1 LYS 61 HZ1 LYS 61 -3.379 23.266 -25.208 480 HZ2 LYS 61 HZ2 LYS 61 -4.336 22.310 -26.132 481 HZ3 LYS 61 HZ3 LYS 61 -2.702 22.081 -26.122 482 H ARG 62 H ARG 62 -1.833 21.795 -18.569 483 HA ARG 62 HA ARG 62 -4.041 23.593 -19.016 484 HB2 ARG 62 HB2 ARG 62 -4.714 22.984 -16.973 485 HB3 ARG 62 HB3 ARG 62 -3.604 21.655 -17.269 486 HG2 ARG 62 HG2 ARG 62 -2.896 22.123 -15.176 487 HG3 ARG 62 HG3 ARG 62 -1.912 23.343 -16.013 488 HD2 ARG 62 HD2 ARG 62 -4.224 24.713 -15.547 489 HD3 ARG 62 HD3 ARG 62 -4.238 23.606 -14.182 490 HE ARG 62 HE ARG 62 -1.845 24.430 -13.726 491 HH11 ARG 62 HH11 ARG 62 -3.574 26.569 -15.762 492 HH12 ARG 62 HH12 ARG 62 -3.028 28.013 -14.947 493 HH21 ARG 62 HH21 ARG 62 -1.161 26.139 -12.655 494 HH22 ARG 62 HH22 ARG 62 -1.532 27.752 -13.276 495 H GLY 63 H GLY 63 -0.867 24.319 -18.651 496 HA2 GLY 63 HA2 GLY 63 0.163 26.456 -18.637 497 HA3 GLY 63 HA3 GLY 63 -1.358 27.210 -18.120 498 H ASP 64 H ASP 64 0.188 24.359 -16.541 499 HA ASP 64 HA ASP 64 0.494 25.924 -14.068 500 HB2 ASP 64 HB2 ASP 64 -0.271 23.378 -14.420 501 HB3 ASP 64 HB3 ASP 64 1.473 23.101 -14.378 502 H GLY 65 H GLY 65 2.523 25.030 -16.737 503 HA2 GLY 65 HA2 GLY 65 4.750 25.777 -17.133 504 HA3 GLY 65 HA3 GLY 65 4.898 26.217 -15.427 505 H TYR 66 H TYR 66 6.864 24.923 -15.886 506 HA TYR 66 HA TYR 66 6.612 22.071 -15.155 507 HB2 TYR 66 HB2 TYR 66 9.119 23.762 -15.125 508 HB3 TYR 66 HB3 TYR 66 8.944 22.023 -15.178 509 HD1 TYR 66 HD2 TYR 66 8.185 20.861 -17.304 510 HD2 TYR 66 HD1 TYR 66 9.215 25.052 -17.138 511 HE1 TYR 66 HE2 TYR 66 8.358 20.910 -19.783 512 HE2 TYR 66 HE1 TYR 66 9.421 25.091 -19.632 513 HH TYR 66 HH TYR 66 9.039 22.209 -21.617 514 H VAL 67 H VAL 67 8.260 21.889 -12.980 515 HA VAL 67 HA VAL 67 7.286 23.872 -11.008 516 HB VAL 67 HB VAL 67 8.829 23.035 -9.408 517 HG11 VAL 67 HG11 VAL 67 6.492 22.388 -9.373 518 HG12 VAL 67 HG12 VAL 67 6.765 21.116 -10.581 519 HG13 VAL 67 HG13 VAL 67 7.450 20.953 -8.962 520 HG21 VAL 67 HG21 VAL 67 9.238 20.693 -11.348 521 HG22 VAL 67 HG22 VAL 67 10.500 21.809 -10.775 522 HG23 VAL 67 HG23 VAL 67 9.724 20.716 -9.638 523 H ASP 68 H ASP 68 7.774 25.700 -11.714 524 HA ASP 68 HA ASP 68 10.446 26.536 -12.542 525 HB2 ASP 68 HB2 ASP 68 7.756 27.811 -12.479 526 HB3 ASP 68 HB3 ASP 68 9.197 28.533 -13.145 527 H THR 69 H THR 69 8.598 26.588 -9.619 528 HA THR 69 HA THR 69 10.683 28.280 -8.383 529 HB THR 69 HB THR 69 8.029 28.887 -7.316 530 HG1 THR 69 HG1 THR 69 8.813 30.032 -9.773 531 HG21 THR 69 HG21 THR 69 8.931 31.187 -7.250 532 HG22 THR 69 HG22 THR 69 10.357 30.659 -8.167 533 HG23 THR 69 HG23 THR 69 10.066 30.037 -6.527 534 H GLU 70 H GLU 70 10.758 28.122 -6.170 535 HA GLU 70 HA GLU 70 10.523 25.702 -4.779 536 HB2 GLU 70 HB2 GLU 70 11.631 27.960 -4.192 537 HB3 GLU 70 HB3 GLU 70 10.099 28.522 -3.624 538 HG2 GLU 70 HG2 GLU 70 11.524 26.055 -2.539 539 HG3 GLU 70 HG3 GLU 70 11.607 27.665 -1.813 540 H SER 71 H SER 71 8.501 28.401 -4.561 541 HA SER 71 HA SER 71 6.366 27.331 -3.084 542 HB2 SER 71 HB2 SER 71 6.947 29.785 -4.106 543 HB3 SER 71 HB3 SER 71 5.556 29.379 -5.106 544 HG SER 71 HG SER 71 4.878 30.437 -3.248 545 H LYS 72 H LYS 72 6.949 26.801 -6.391 546 HA LYS 72 HA LYS 72 4.312 25.572 -6.851 547 HB2 LYS 72 HB2 LYS 72 5.819 26.948 -8.620 548 HB3 LYS 72 HB3 LYS 72 6.443 25.312 -8.931 549 HG2 LYS 72 HG2 LYS 72 3.970 24.578 -9.075 550 HG3 LYS 72 HG3 LYS 72 3.550 26.297 -9.053 551 HD2 LYS 72 HD2 LYS 72 5.218 24.820 -11.104 552 HD3 LYS 72 HD3 LYS 72 3.576 25.415 -11.318 553 HE2 LYS 72 HE2 LYS 72 4.377 27.758 -11.092 554 HE3 LYS 72 HE3 LYS 72 6.042 27.173 -10.880 555 HZ1 LYS 72 HZ1 LYS 72 5.665 27.746 -13.231 556 HZ2 LYS 72 HZ2 LYS 72 4.368 26.712 -13.286 557 HZ3 LYS 72 HZ3 LYS 72 5.869 26.155 -13.120 558 H PHE 73 H PHE 73 7.686 24.610 -6.509 559 HA PHE 73 HA PHE 73 7.251 21.757 -6.892 560 HB2 PHE 73 HB2 PHE 73 9.469 22.724 -7.124 561 HB3 PHE 73 HB3 PHE 73 9.422 23.343 -5.481 562 HD1 PHE 73 HD1 PHE 73 8.836 19.953 -7.108 563 HD2 PHE 73 HD2 PHE 73 10.831 22.216 -4.013 564 HE1 PHE 73 HE1 PHE 73 9.876 17.872 -6.238 565 HE2 PHE 73 HE2 PHE 73 11.871 20.123 -3.171 566 HZ PHE 73 HZ PHE 73 11.363 17.963 -4.242 567 H ARG 74 H ARG 74 7.326 23.811 -4.031 568 HA ARG 74 HA ARG 74 7.008 21.961 -1.988 569 HB2 ARG 74 HB2 ARG 74 7.464 24.495 -1.961 570 HB3 ARG 74 HB3 ARG 74 5.717 24.729 -2.074 571 HG2 ARG 74 HG2 ARG 74 5.489 23.469 0.110 572 HG3 ARG 74 HG3 ARG 74 7.252 23.309 0.150 573 HD2 ARG 74 HD2 ARG 74 6.674 25.150 1.566 574 HD3 ARG 74 HD3 ARG 74 7.448 25.813 0.137 575 HE ARG 74 HE ARG 74 4.477 25.746 0.560 576 HH11 ARG 74 HH11 ARG 74 7.256 27.597 -0.729 577 HH12 ARG 74 HH12 ARG 74 6.218 28.884 -1.188 578 HH21 ARG 74 HH21 ARG 74 3.287 27.510 -0.129 579 HH22 ARG 74 HH22 ARG 74 4.139 28.797 -0.950 580 H LYS 75 H LYS 75 4.442 23.105 -4.169 581 HA LYS 75 HA LYS 75 2.205 22.145 -2.739 582 HB2 LYS 75 HB2 LYS 75 1.146 23.083 -4.390 583 HB3 LYS 75 HB3 LYS 75 2.705 23.666 -4.909 584 HG2 LYS 75 HG2 LYS 75 2.826 21.545 -6.424 585 HG3 LYS 75 HG3 LYS 75 1.098 21.327 -6.014 586 HD2 LYS 75 HD2 LYS 75 0.834 23.796 -6.594 587 HD3 LYS 75 HD3 LYS 75 2.482 23.750 -7.186 588 HE2 LYS 75 HE2 LYS 75 1.882 22.018 -8.868 589 HE3 LYS 75 HE3 LYS 75 0.224 21.970 -8.269 590 HZ1 LYS 75 HZ1 LYS 75 -0.078 24.249 -9.041 591 HZ2 LYS 75 HZ2 LYS 75 0.538 23.364 -10.280 592 HZ3 LYS 75 HZ3 LYS 75 1.500 24.360 -9.490 593 H LEU 76 H LEU 76 4.553 20.621 -4.865 594 HA LEU 76 HA LEU 76 3.099 18.063 -4.982 595 HB2 LEU 76 HB2 LEU 76 4.654 19.168 -6.832 596 HB3 LEU 76 HB3 LEU 76 5.984 18.570 -5.834 597 HG LEU 76 HG LEU 76 5.095 16.246 -6.064 598 HD11 LEU 76 HD11 LEU 76 2.755 16.619 -6.633 599 HD12 LEU 76 HD12 LEU 76 3.538 15.831 -7.999 600 HD13 LEU 76 HD13 LEU 76 3.205 17.582 -8.065 601 HD21 LEU 76 HD21 LEU 76 5.700 17.726 -8.661 602 HD22 LEU 76 HD22 LEU 76 5.879 15.977 -8.382 603 HD23 LEU 76 HD23 LEU 76 6.897 17.113 -7.491 604 H VAL 77 H VAL 77 5.996 19.372 -3.521 605 HA VAL 77 HA VAL 77 6.689 16.968 -2.106 606 HB VAL 77 HB VAL 77 7.148 19.844 -1.149 607 HG11 VAL 77 HG11 VAL 77 7.437 18.321 0.750 608 HG12 VAL 77 HG12 VAL 77 8.469 17.253 -0.248 609 HG13 VAL 77 HG13 VAL 77 9.021 18.883 0.193 610 HG21 VAL 77 HG21 VAL 77 9.010 17.934 -2.633 611 HG22 VAL 77 HG22 VAL 77 8.248 19.384 -3.320 612 HG23 VAL 77 HG23 VAL 77 9.437 19.543 -2.026 613 H THR 78 H THR 78 4.440 19.534 -1.138 614 HA THR 78 HA THR 78 3.822 18.239 1.340 615 HB THR 78 HB THR 78 2.048 20.136 -0.253 616 HG1 THR 78 HG1 THR 78 3.944 21.134 0.146 617 HG21 THR 78 HG21 THR 78 0.812 19.073 1.613 618 HG22 THR 78 HG22 THR 78 1.152 20.768 1.986 619 HG23 THR 78 HG23 THR 78 2.129 19.490 2.736 620 H ALA 79 H ALA 79 2.449 17.912 -1.885 621 HA ALA 79 HA ALA 79 0.174 16.434 -0.761 622 HB1 ALA 79 HB1 ALA 79 -0.111 17.877 -2.789 623 HB2 ALA 79 HB2 ALA 79 1.027 16.836 -3.676 624 HB3 ALA 79 HB3 ALA 79 -0.540 16.191 -3.143 625 H ILE 80 H ILE 80 3.244 15.644 -2.005 626 HA ILE 80 HA ILE 80 2.545 12.770 -2.346 627 HB ILE 80 HB ILE 80 5.161 14.243 -2.680 628 HG12 ILE 80 HG12 ILE 80 3.420 14.892 -4.386 629 HG13 ILE 80 HG13 ILE 80 4.852 14.124 -5.051 630 HG21 ILE 80 HG21 ILE 80 4.386 11.385 -3.446 631 HG22 ILE 80 HG22 ILE 80 5.922 12.180 -3.859 632 HG23 ILE 80 HG23 ILE 80 5.506 11.844 -2.173 633 HD11 ILE 80 HD11 ILE 80 3.583 12.072 -5.454 634 HD12 ILE 80 HD12 ILE 80 2.167 12.762 -4.608 635 HD13 ILE 80 HD13 ILE 80 2.734 13.462 -6.136 636 H LYS 81 H LYS 81 3.951 14.929 0.017 637 HA LYS 81 HA LYS 81 5.028 12.804 1.763 638 HB2 LYS 81 HB2 LYS 81 5.649 15.303 1.640 639 HB3 LYS 81 HB3 LYS 81 4.243 15.640 2.623 640 HG2 LYS 81 HG2 LYS 81 5.279 14.853 4.526 641 HG3 LYS 81 HG3 LYS 81 6.223 13.635 3.695 642 HD2 LYS 81 HD2 LYS 81 6.785 16.640 3.561 643 HD3 LYS 81 HD3 LYS 81 7.586 15.518 4.666 644 HE2 LYS 81 HE2 LYS 81 8.522 14.254 2.741 645 HE3 LYS 81 HE3 LYS 81 7.726 15.370 1.620 646 HZ1 LYS 81 HZ1 LYS 81 9.136 17.152 2.461 647 HZ2 LYS 81 HZ2 LYS 81 10.050 15.906 1.925 648 HZ3 LYS 81 HZ3 LYS 81 9.864 16.131 3.536 649 H ALA 82 H ALA 82 2.134 14.653 1.561 650 HA ALA 82 HA ALA 82 0.662 13.395 3.715 651 HB1 ALA 82 HB1 ALA 82 -1.328 14.372 2.618 652 HB2 ALA 82 HB2 ALA 82 -0.018 15.565 2.735 653 HB3 ALA 82 HB3 ALA 82 -0.358 14.767 1.182 654 H ALA 83 H ALA 83 0.585 12.743 0.153 655 HA ALA 83 HA ALA 83 -1.089 10.484 0.327 656 HB1 ALA 83 HB1 ALA 83 1.091 11.061 -1.717 657 HB2 ALA 83 HB2 ALA 83 -0.273 9.944 -1.928 658 HB3 ALA 83 HB3 ALA 83 -0.578 11.683 -1.777 659 H LEU 84 H LEU 84 2.318 10.738 0.836 660 HA LEU 84 HA LEU 84 2.892 7.904 0.827 661 HB2 LEU 84 HB2 LEU 84 4.532 9.892 0.636 662 HB3 LEU 84 HB3 LEU 84 4.445 10.038 2.380 663 HG LEU 84 HG LEU 84 6.401 8.903 1.437 664 HD11 LEU 84 HD11 LEU 84 6.553 7.017 2.897 665 HD12 LEU 84 HD12 LEU 84 4.798 6.810 2.926 666 HD13 LEU 84 HD13 LEU 84 5.543 8.221 3.708 667 HD21 LEU 84 HD21 LEU 84 4.779 7.895 -0.458 668 HD22 LEU 84 HD22 LEU 84 4.828 6.479 0.601 669 HD23 LEU 84 HD23 LEU 84 6.312 7.192 -0.081 670 H ALA 85 H ALA 85 2.504 10.174 3.522 671 HA ALA 85 HA ALA 85 2.385 8.168 5.577 672 HB1 ALA 85 HB1 ALA 85 1.170 10.972 5.531 673 HB2 ALA 85 HB2 ALA 85 1.463 9.994 6.986 674 HB3 ALA 85 HB3 ALA 85 2.835 10.572 6.015 675 H GLN 86 H GLN 86 0.056 9.108 3.348 676 HA GLN 86 HA GLN 86 -2.310 8.040 4.712 677 HB2 GLN 86 HB2 GLN 86 -2.396 9.989 3.205 678 HB3 GLN 86 HB3 GLN 86 -1.873 8.984 1.858 679 HG2 GLN 86 HG2 GLN 86 -3.972 7.745 1.907 680 HG3 GLN 86 HG3 GLN 86 -4.468 8.601 3.384 681 HE21 GLN 86 HE21 GLN 86 -6.154 10.029 2.751 682 HE22 GLN 86 HE22 GLN 86 -5.927 11.092 1.337 683 H CYS 87 H CYS 87 -0.304 7.064 2.027 684 HA CYS 87 HA CYS 87 -1.533 4.442 1.714 685 HB2 CYS 87 HB2 CYS 87 0.014 5.972 0.106 686 HB3 CYS 87 HB3 CYS 87 1.255 4.858 0.706 687 HG CYS 87 HG CYS 87 -1.690 4.154 -0.686 688 H GLN 88 H GLN 88 1.000 5.631 3.769 689 HA GLN 88 HA GLN 88 2.270 3.137 4.417 690 HB2 GLN 88 HB2 GLN 88 1.934 5.767 5.827 691 HB3 GLN 88 HB3 GLN 88 2.551 4.404 6.762 692 HG2 GLN 88 HG2 GLN 88 3.792 5.061 4.071 693 HG3 GLN 88 HG3 GLN 88 4.221 5.999 5.512 694 HE21 GLN 88 HE21 GLN 88 5.574 3.564 3.711 695 HE22 GLN 88 HE22 GLN 88 6.268 2.720 5.106 Start of MODEL 6 1 H1 MET 1 H1 MET 1 0.774 1.561 -0.208 2 H2 MET 1 H2 MET 1 1.906 1.503 0.968 3 H3 MET 1 H3 MET 1 0.967 0.182 0.701 4 HA MET 1 HA MET 1 3.158 -0.169 -0.212 5 HB2 MET 1 HB2 MET 1 1.179 -1.220 -1.302 6 HB3 MET 1 HB3 MET 1 1.011 0.186 -2.353 7 HG2 MET 1 HG2 MET 1 2.143 -1.829 -3.375 8 HG3 MET 1 HG3 MET 1 3.028 -0.321 -3.506 9 HE1 MET 1 HE1 MET 1 4.721 -2.659 -4.254 10 HE2 MET 1 HE2 MET 1 5.358 -1.027 -3.964 11 HE3 MET 1 HE3 MET 1 6.166 -2.430 -3.240 12 H ALA 2 H ALA 2 4.751 0.497 -2.036 13 HA ALA 2 HA ALA 2 5.113 3.334 -2.220 14 HB1 ALA 2 HB1 ALA 2 6.957 1.674 -2.446 15 HB2 ALA 2 HB2 ALA 2 6.240 1.108 -3.974 16 HB3 ALA 2 HB3 ALA 2 6.865 2.758 -3.845 17 H LEU 3 H LEU 3 5.180 4.543 -4.307 18 HA LEU 3 HA LEU 3 2.640 4.089 -5.770 19 HB2 LEU 3 HB2 LEU 3 2.832 5.681 -3.636 20 HB3 LEU 3 HB3 LEU 3 3.577 6.772 -4.827 21 HG LEU 3 HG LEU 3 1.500 6.661 -6.190 22 HD11 LEU 3 HD11 LEU 3 0.553 4.499 -5.546 23 HD12 LEU 3 HD12 LEU 3 -0.584 5.768 -5.089 24 HD13 LEU 3 HD13 LEU 3 0.440 5.014 -3.851 25 HD21 LEU 3 HD21 LEU 3 0.956 7.422 -3.285 26 HD22 LEU 3 HD22 LEU 3 0.121 8.048 -4.725 27 HD23 LEU 3 HD23 LEU 3 1.828 8.433 -4.451 28 H ALA 4 H ALA 4 2.724 4.301 -7.800 29 HA ALA 4 HA ALA 4 5.089 4.875 -9.317 30 HB1 ALA 4 HB1 ALA 4 2.253 4.062 -10.056 31 HB2 ALA 4 HB2 ALA 4 3.620 4.059 -11.179 32 HB3 ALA 4 HB3 ALA 4 3.645 2.987 -9.769 33 H VAL 5 H VAL 5 5.637 7.153 -9.306 34 HA VAL 5 HA VAL 5 3.742 8.989 -10.597 35 HB VAL 5 HB VAL 5 6.551 9.589 -9.863 36 HG11 VAL 5 HG11 VAL 5 5.872 11.933 -9.775 37 HG12 VAL 5 HG12 VAL 5 5.609 11.253 -11.378 38 HG13 VAL 5 HG13 VAL 5 4.235 11.487 -10.270 39 HG21 VAL 5 HG21 VAL 5 4.219 10.377 -8.113 40 HG22 VAL 5 HG22 VAL 5 5.185 8.927 -7.813 41 HG23 VAL 5 HG23 VAL 5 5.949 10.514 -7.776 42 H ARG 6 H ARG 6 4.104 9.838 -12.528 43 HA ARG 6 HA ARG 6 6.413 9.074 -14.212 44 HB2 ARG 6 HB2 ARG 6 3.591 8.492 -15.105 45 HB3 ARG 6 HB3 ARG 6 4.722 9.150 -16.284 46 HG2 ARG 6 HG2 ARG 6 5.059 6.905 -16.632 47 HG3 ARG 6 HG3 ARG 6 6.372 7.288 -15.510 48 HD2 ARG 6 HD2 ARG 6 4.560 6.656 -13.688 49 HD3 ARG 6 HD3 ARG 6 3.752 5.883 -15.046 50 HE ARG 6 HE ARG 6 5.734 4.413 -15.331 51 HH11 ARG 6 HH11 ARG 6 5.705 6.053 -12.246 52 HH12 ARG 6 HH12 ARG 6 6.231 4.592 -11.443 53 HH21 ARG 6 HH21 ARG 6 6.737 2.705 -14.036 54 HH22 ARG 6 HH22 ARG 6 6.855 3.045 -12.315 55 H VAL 7 H VAL 7 6.782 10.446 -15.921 56 HA VAL 7 HA VAL 7 5.731 13.254 -15.819 57 HB VAL 7 HB VAL 7 8.690 12.530 -16.083 58 HG11 VAL 7 HG11 VAL 7 7.316 15.201 -15.573 59 HG12 VAL 7 HG12 VAL 7 9.063 14.928 -15.749 60 HG13 VAL 7 HG13 VAL 7 7.983 14.680 -17.126 61 HG21 VAL 7 HG21 VAL 7 9.138 13.407 -13.897 62 HG22 VAL 7 HG22 VAL 7 7.419 13.665 -13.580 63 HG23 VAL 7 HG23 VAL 7 8.051 12.027 -13.757 64 H VAL 8 H VAL 8 4.524 12.898 -17.762 65 HA VAL 8 HA VAL 8 5.811 11.628 -20.073 66 HB VAL 8 HB VAL 8 3.238 13.210 -20.080 67 HG11 VAL 8 HG11 VAL 8 4.356 11.094 -21.964 68 HG12 VAL 8 HG12 VAL 8 2.745 11.827 -22.083 69 HG13 VAL 8 HG13 VAL 8 4.181 12.829 -22.315 70 HG21 VAL 8 HG21 VAL 8 2.085 11.012 -19.948 71 HG22 VAL 8 HG22 VAL 8 3.647 10.225 -19.634 72 HG23 VAL 8 HG23 VAL 8 2.968 11.390 -18.467 73 H TYR 9 H TYR 9 7.209 12.726 -21.495 74 HA TYR 9 HA TYR 9 6.562 15.523 -22.050 75 HB2 TYR 9 HB2 TYR 9 7.917 15.835 -20.030 76 HB3 TYR 9 HB3 TYR 9 9.190 14.837 -20.751 77 HD1 TYR 9 HD1 TYR 9 7.184 17.769 -21.999 78 HD2 TYR 9 HD2 TYR 9 11.073 16.146 -21.158 79 HE1 TYR 9 HE1 TYR 9 8.202 19.712 -23.135 80 HE2 TYR 9 HE2 TYR 9 12.122 18.191 -22.196 81 HH TYR 9 HH TYR 9 10.168 20.569 -23.918 82 H SER 10 H SER 10 7.367 16.296 -23.833 83 HA SER 10 HA SER 10 8.599 14.491 -25.848 84 HB2 SER 10 HB2 SER 10 6.838 16.308 -26.349 85 HB3 SER 10 HB3 SER 10 8.195 17.447 -26.306 86 HG SER 10 HG SER 10 7.447 15.925 -28.291 87 H GLY 11 H GLY 11 10.479 14.068 -24.719 88 HA2 GLY 11 HA2 GLY 11 12.109 15.849 -23.441 89 HA3 GLY 11 HA3 GLY 11 12.651 14.254 -23.990 90 H ALA 12 H ALA 12 11.836 16.428 -26.488 91 HA ALA 12 HA ALA 12 14.286 15.988 -27.841 92 HB1 ALA 12 HB1 ALA 12 12.161 18.119 -28.344 93 HB2 ALA 12 HB2 ALA 12 13.362 17.535 -29.516 94 HB3 ALA 12 HB3 ALA 12 12.106 16.435 -28.913 95 H CYS 13 H CYS 13 13.555 18.558 -25.619 96 HA CYS 13 HA CYS 13 16.153 19.910 -26.292 97 HB2 CYS 13 HB2 CYS 13 14.107 21.320 -26.449 98 HB3 CYS 13 HB3 CYS 13 13.824 21.049 -24.711 99 HG CYS 13 HG CYS 13 16.350 22.512 -26.307 100 H GLY 14 H GLY 14 17.097 17.976 -25.246 101 HA2 GLY 14 HA2 GLY 14 18.396 17.096 -23.527 102 HA3 GLY 14 HA3 GLY 14 18.470 18.773 -22.975 103 H TYR 15 H TYR 15 15.944 16.221 -22.913 104 HA TYR 15 HA TYR 15 14.752 17.028 -20.535 105 HB2 TYR 15 HB2 TYR 15 13.474 15.055 -20.656 106 HB3 TYR 15 HB3 TYR 15 13.821 15.581 -22.293 107 HD1 TYR 15 HD1 TYR 15 15.818 14.314 -23.567 108 HD2 TYR 15 HD2 TYR 15 13.756 12.823 -20.079 109 HE1 TYR 15 HE1 TYR 15 16.560 12.009 -24.102 110 HE2 TYR 15 HE2 TYR 15 14.489 10.518 -20.634 111 HH TYR 15 HH TYR 15 15.311 9.220 -22.492 112 H LYS 16 H LYS 16 17.172 14.449 -20.790 113 HA LYS 16 HA LYS 16 16.730 13.104 -18.493 114 HB2 LYS 16 HB2 LYS 16 19.496 13.631 -19.657 115 HB3 LYS 16 HB3 LYS 16 19.106 12.369 -18.468 116 HG2 LYS 16 HG2 LYS 16 17.496 11.355 -20.056 117 HG3 LYS 16 HG3 LYS 16 17.846 12.639 -21.228 118 HD2 LYS 16 HD2 LYS 16 19.000 10.722 -21.944 119 HD3 LYS 16 HD3 LYS 16 20.213 11.869 -21.351 120 HE2 LYS 16 HE2 LYS 16 20.398 10.613 -19.236 121 HE3 LYS 16 HE3 LYS 16 19.075 9.536 -19.739 122 HZ1 LYS 16 HZ1 LYS 16 21.223 8.509 -20.149 123 HZ2 LYS 16 HZ2 LYS 16 21.709 9.762 -21.093 124 HZ3 LYS 16 HZ3 LYS 16 20.473 8.798 -21.582 125 HA PRO 17 HA PRO 17 19.189 15.640 -15.353 126 HB2 PRO 17 HB2 PRO 17 19.996 18.206 -15.867 127 HB3 PRO 17 HB3 PRO 17 20.995 16.771 -16.256 128 HG2 PRO 17 HG2 PRO 17 19.160 18.319 -18.120 129 HG3 PRO 17 HG3 PRO 17 20.859 17.821 -18.406 130 HD2 PRO 17 HD2 PRO 17 18.800 16.379 -19.370 131 HD3 PRO 17 HD3 PRO 17 20.260 15.573 -18.718 132 H LYS 18 H LYS 18 16.871 17.380 -17.487 133 HA LYS 18 HA LYS 18 15.754 18.954 -15.259 134 HB2 LYS 18 HB2 LYS 18 14.774 18.497 -18.079 135 HB3 LYS 18 HB3 LYS 18 13.957 19.508 -16.870 136 HG2 LYS 18 HG2 LYS 18 16.147 20.794 -16.623 137 HG3 LYS 18 HG3 LYS 18 16.730 19.960 -18.064 138 HD2 LYS 18 HD2 LYS 18 14.204 21.674 -17.907 139 HD3 LYS 18 HD3 LYS 18 15.766 22.273 -18.440 140 HE2 LYS 18 HE2 LYS 18 14.193 20.041 -19.814 141 HE3 LYS 18 HE3 LYS 18 14.206 21.738 -20.305 142 HZ1 LYS 18 HZ1 LYS 18 16.534 19.898 -20.349 143 HZ2 LYS 18 HZ2 LYS 18 16.636 21.529 -20.623 144 HZ3 LYS 18 HZ3 LYS 18 15.779 20.561 -21.623 145 H TYR 19 H TYR 19 15.089 15.823 -16.706 146 HA TYR 19 HA TYR 19 12.823 15.201 -14.973 147 HB2 TYR 19 HB2 TYR 19 14.848 13.657 -16.628 148 HB3 TYR 19 HB3 TYR 19 13.951 12.814 -15.383 149 HD1 TYR 19 HD2 TYR 19 11.837 15.339 -16.978 150 HD2 TYR 19 HD1 TYR 19 13.468 11.347 -17.352 151 HE1 TYR 19 HE2 TYR 19 10.028 14.731 -18.552 152 HE2 TYR 19 HE1 TYR 19 11.659 10.784 -18.980 153 HH TYR 19 HH TYR 19 8.886 12.460 -19.306 154 H LEU 20 H LEU 20 16.310 14.299 -14.733 155 HA LEU 20 HA LEU 20 16.160 13.065 -12.227 156 HB2 LEU 20 HB2 LEU 20 18.361 14.648 -13.511 157 HB3 LEU 20 HB3 LEU 20 18.642 13.744 -12.071 158 HG LEU 20 HG LEU 20 17.687 12.394 -14.629 159 HD11 LEU 20 HD11 LEU 20 19.914 13.417 -14.983 160 HD12 LEU 20 HD12 LEU 20 20.026 11.651 -14.896 161 HD13 LEU 20 HD13 LEU 20 20.509 12.639 -13.500 162 HD21 LEU 20 HD21 LEU 20 18.511 10.352 -13.509 163 HD22 LEU 20 HD22 LEU 20 17.222 11.122 -12.575 164 HD23 LEU 20 HD23 LEU 20 18.911 11.302 -12.063 165 H GLN 21 H GLN 21 16.788 16.586 -12.802 166 HA GLN 21 HA GLN 21 17.460 17.167 -10.167 167 HB2 GLN 21 HB2 GLN 21 17.905 18.547 -12.154 168 HB3 GLN 21 HB3 GLN 21 16.178 18.806 -12.442 169 HG2 GLN 21 HG2 GLN 21 17.596 19.631 -9.921 170 HG3 GLN 21 HG3 GLN 21 17.543 20.696 -11.347 171 HE21 GLN 21 HE21 GLN 21 16.076 20.621 -8.417 172 HE22 GLN 21 HE22 GLN 21 14.458 21.060 -8.985 173 H LEU 22 H LEU 22 14.220 17.093 -11.701 174 HA LEU 22 HA LEU 22 12.794 17.808 -9.248 175 HB2 LEU 22 HB2 LEU 22 11.868 18.130 -11.490 176 HB3 LEU 22 HB3 LEU 22 11.906 16.396 -11.818 177 HG LEU 22 HG LEU 22 10.350 17.470 -9.442 178 HD11 LEU 22 HD11 LEU 22 9.638 18.810 -11.372 179 HD12 LEU 22 HD12 LEU 22 8.359 17.693 -10.881 180 HD13 LEU 22 HD13 LEU 22 9.352 17.332 -12.315 181 HD21 LEU 22 HD21 LEU 22 8.835 15.559 -9.968 182 HD22 LEU 22 HD22 LEU 22 10.460 15.003 -9.601 183 HD23 LEU 22 HD23 LEU 22 9.917 15.076 -11.291 184 H LYS 23 H LYS 23 13.707 14.836 -10.924 185 HA LYS 23 HA LYS 23 12.202 13.051 -9.280 186 HB2 LYS 23 HB2 LYS 23 13.490 12.760 -11.688 187 HB3 LYS 23 HB3 LYS 23 14.660 11.973 -10.611 188 HG2 LYS 23 HG2 LYS 23 11.819 11.275 -10.331 189 HG3 LYS 23 HG3 LYS 23 12.611 10.715 -11.804 190 HD2 LYS 23 HD2 LYS 23 13.894 10.230 -9.078 191 HD3 LYS 23 HD3 LYS 23 12.638 9.167 -9.702 192 HE2 LYS 23 HE2 LYS 23 13.921 8.953 -11.837 193 HE3 LYS 23 HE3 LYS 23 15.297 9.723 -10.993 194 HZ1 LYS 23 HZ1 LYS 23 15.215 7.169 -10.785 195 HZ2 LYS 23 HZ2 LYS 23 13.867 7.408 -9.831 196 HZ3 LYS 23 HZ3 LYS 23 15.215 7.999 -9.330 197 H GLU 24 H GLU 24 15.706 13.539 -9.303 198 HA GLU 24 HA GLU 24 16.580 12.145 -7.056 199 HB2 GLU 24 HB2 GLU 24 17.945 13.537 -8.699 200 HB3 GLU 24 HB3 GLU 24 17.402 14.973 -7.853 201 HG2 GLU 24 HG2 GLU 24 18.604 12.933 -6.040 202 HG3 GLU 24 HG3 GLU 24 19.696 13.479 -7.319 203 H LYS 25 H LYS 25 15.084 15.420 -7.029 204 HA LYS 25 HA LYS 25 15.327 15.711 -4.166 205 HB2 LYS 25 HB2 LYS 25 14.623 17.406 -6.350 206 HB3 LYS 25 HB3 LYS 25 13.132 17.212 -5.438 207 HG2 LYS 25 HG2 LYS 25 14.046 19.036 -4.373 208 HG3 LYS 25 HG3 LYS 25 14.603 17.708 -3.347 209 HD2 LYS 25 HD2 LYS 25 16.141 19.451 -5.307 210 HD3 LYS 25 HD3 LYS 25 16.501 19.096 -3.601 211 HE2 LYS 25 HE2 LYS 25 16.863 16.658 -4.412 212 HE3 LYS 25 HE3 LYS 25 16.869 17.308 -6.045 213 HZ1 LYS 25 HZ1 LYS 25 18.796 17.976 -3.892 214 HZ2 LYS 25 HZ2 LYS 25 18.841 18.574 -5.475 215 HZ3 LYS 25 HZ3 LYS 25 19.002 16.993 -5.165 216 H LEU 26 H LEU 26 12.710 14.511 -6.139 217 HA LEU 26 HA LEU 26 10.808 14.149 -4.009 218 HB2 LEU 26 HB2 LEU 26 11.087 13.587 -6.928 219 HB3 LEU 26 HB3 LEU 26 10.262 12.320 -6.036 220 HG LEU 26 HG LEU 26 8.789 13.974 -5.026 221 HD11 LEU 26 HD11 LEU 26 10.108 16.016 -5.302 222 HD12 LEU 26 HD12 LEU 26 8.531 16.217 -6.077 223 HD13 LEU 26 HD13 LEU 26 9.979 15.887 -7.068 224 HD21 LEU 26 HD21 LEU 26 7.372 14.382 -7.040 225 HD22 LEU 26 HD22 LEU 26 7.974 12.722 -6.938 226 HD23 LEU 26 HD23 LEU 26 8.736 13.872 -8.064 227 H GLU 27 H GLU 27 12.910 11.849 -5.651 228 HA GLU 27 HA GLU 27 12.585 9.658 -3.874 229 HB2 GLU 27 HB2 GLU 27 14.337 10.471 -6.118 230 HB3 GLU 27 HB3 GLU 27 15.205 9.513 -4.926 231 HG2 GLU 27 HG2 GLU 27 13.758 7.699 -5.103 232 HG3 GLU 27 HG3 GLU 27 12.476 8.606 -5.885 233 H HIS 28 H HIS 28 14.994 12.319 -3.630 234 HA HIS 28 HA HIS 28 16.204 11.432 -1.206 235 HB2 HIS 28 HB2 HIS 28 17.062 13.302 -2.484 236 HB3 HIS 28 HB3 HIS 28 15.567 14.201 -2.280 237 HD1 HIS 28 HD1 HIS 28 16.453 12.880 1.050 238 HD2 HIS 28 HD2 HIS 28 17.257 16.164 -1.411 239 HE1 HIS 28 HE1 HIS 28 17.468 14.687 2.570 240 H GLU 29 H GLU 29 13.191 13.279 -1.771 241 HA GLU 29 HA GLU 29 12.725 13.910 0.941 242 HB2 GLU 29 HB2 GLU 29 11.379 14.179 -1.697 243 HB3 GLU 29 HB3 GLU 29 10.267 14.010 -0.362 244 HG2 GLU 29 HG2 GLU 29 12.577 16.013 -0.400 245 HG3 GLU 29 HG3 GLU 29 10.972 16.388 -1.022 246 H PHE 30 H PHE 30 11.555 11.274 -1.096 247 HA PHE 30 HA PHE 30 10.844 9.678 1.315 248 HB2 PHE 30 HB2 PHE 30 8.584 9.162 0.014 249 HB3 PHE 30 HB3 PHE 30 8.777 10.425 1.185 250 HD1 PHE 30 HD1 PHE 30 9.164 9.970 -2.555 251 HD2 PHE 30 HD2 PHE 30 7.916 12.501 0.690 252 HE1 PHE 30 HE1 PHE 30 8.326 11.648 -4.181 253 HE2 PHE 30 HE2 PHE 30 7.169 14.222 -0.929 254 HZ PHE 30 HZ PHE 30 7.340 13.794 -3.357 255 HA PRO 31 HA PRO 31 12.985 7.295 -2.053 256 HB2 PRO 31 HB2 PRO 31 14.868 6.014 -0.477 257 HB3 PRO 31 HB3 PRO 31 15.092 7.610 -1.234 258 HG2 PRO 31 HG2 PRO 31 14.259 6.951 1.602 259 HG3 PRO 31 HG3 PRO 31 15.402 8.219 1.050 260 HD2 PRO 31 HD2 PRO 31 12.805 8.745 1.746 261 HD3 PRO 31 HD3 PRO 31 13.652 9.663 0.465 262 H GLY 32 H GLY 32 12.395 5.348 -2.688 263 HA2 GLY 32 HA2 GLY 32 11.331 3.318 -2.822 264 HA3 GLY 32 HA3 GLY 32 11.990 2.968 -1.225 265 H CYS 33 H CYS 33 10.240 5.440 -0.307 266 HA CYS 33 HA CYS 33 7.709 4.215 0.198 267 HB2 CYS 33 HB2 CYS 33 8.276 7.149 -0.021 268 HB3 CYS 33 HB3 CYS 33 7.068 6.362 0.982 269 HG CYS 33 HG CYS 33 9.119 5.002 2.315 270 H LEU 34 H LEU 34 9.142 5.575 -2.602 271 HA LEU 34 HA LEU 34 6.667 5.507 -4.160 272 HB2 LEU 34 HB2 LEU 34 8.098 7.950 -3.180 273 HB3 LEU 34 HB3 LEU 34 7.835 7.909 -4.906 274 HG LEU 34 HG LEU 34 5.366 7.076 -3.713 275 HD11 LEU 34 HD11 LEU 34 6.124 8.030 -1.608 276 HD12 LEU 34 HD12 LEU 34 4.764 8.937 -2.290 277 HD13 LEU 34 HD13 LEU 34 6.417 9.583 -2.406 278 HD21 LEU 34 HD21 LEU 34 5.670 8.293 -5.823 279 HD22 LEU 34 HD22 LEU 34 6.156 9.747 -4.933 280 HD23 LEU 34 HD23 LEU 34 4.498 9.112 -4.771 281 H ASP 35 H ASP 35 6.933 5.789 -6.318 282 HA ASP 35 HA ASP 35 9.623 5.303 -7.573 283 HB2 ASP 35 HB2 ASP 35 8.098 3.400 -7.876 284 HB3 ASP 35 HB3 ASP 35 6.814 4.537 -8.220 285 H ILE 36 H ILE 36 10.080 6.713 -9.123 286 HA ILE 36 HA ILE 36 8.039 8.335 -10.381 287 HB ILE 36 HB ILE 36 10.626 9.565 -9.929 288 HG12 ILE 36 HG12 ILE 36 9.092 11.186 -8.257 289 HG13 ILE 36 HG13 ILE 36 8.740 9.537 -7.747 290 HG21 ILE 36 HG21 ILE 36 9.513 11.743 -10.469 291 HG22 ILE 36 HG22 ILE 36 9.487 10.537 -11.756 292 HG23 ILE 36 HG23 ILE 36 8.036 10.833 -10.793 293 HD11 ILE 36 HD11 ILE 36 11.516 10.828 -8.083 294 HD12 ILE 36 HD12 ILE 36 10.740 10.288 -6.558 295 HD13 ILE 36 HD13 ILE 36 11.249 9.104 -7.755 296 H CYS 37 H CYS 37 8.119 7.667 -12.122 297 HA CYS 37 HA CYS 37 10.532 7.105 -13.818 298 HB2 CYS 37 HB2 CYS 37 7.638 6.305 -13.884 299 HB3 CYS 37 HB3 CYS 37 8.542 6.234 -15.395 300 HG CYS 37 HG CYS 37 9.299 4.845 -12.433 301 H GLY 38 H GLY 38 10.166 7.835 -16.134 302 HA2 GLY 38 HA2 GLY 38 8.470 10.163 -16.594 303 HA3 GLY 38 HA3 GLY 38 10.205 10.383 -16.917 304 H GLU 39 H GLU 39 8.154 10.422 -18.979 305 HA GLU 39 HA GLU 39 8.922 8.081 -20.571 306 HB2 GLU 39 HB2 GLU 39 6.901 7.454 -19.281 307 HB3 GLU 39 HB3 GLU 39 5.986 8.704 -20.163 308 HG2 GLU 39 HG2 GLU 39 6.839 7.555 -22.313 309 HG3 GLU 39 HG3 GLU 39 7.470 6.271 -21.288 310 H GLY 40 H GLY 40 9.772 9.027 -22.095 311 HA2 GLY 40 HA2 GLY 40 8.504 11.271 -23.616 312 HA3 GLY 40 HA3 GLY 40 10.079 10.585 -23.988 313 H THR 41 H THR 41 6.624 9.747 -23.703 314 HA THR 41 HA THR 41 6.325 7.607 -25.461 315 HB THR 41 HB THR 41 4.375 9.886 -25.336 316 HG1 THR 41 HG1 THR 41 4.518 7.920 -23.284 317 HG21 THR 41 HG21 THR 41 3.576 8.028 -26.642 318 HG22 THR 41 HG22 THR 41 2.692 8.061 -25.114 319 HG23 THR 41 HG23 THR 41 3.990 6.875 -25.336 320 HA PRO 42 HA PRO 42 8.174 9.280 -28.807 321 HB2 PRO 42 HB2 PRO 42 7.300 7.839 -31.027 322 HB3 PRO 42 HB3 PRO 42 8.384 7.228 -29.739 323 HG2 PRO 42 HG2 PRO 42 5.393 6.870 -29.999 324 HG3 PRO 42 HG3 PRO 42 6.627 5.643 -29.563 325 HD2 PRO 42 HD2 PRO 42 5.108 6.887 -27.694 326 HD3 PRO 42 HD3 PRO 42 6.819 6.525 -27.343 327 H GLN 43 H GLN 43 8.246 10.935 -30.117 328 HA GLN 43 HA GLN 43 7.731 12.747 -31.390 329 HB2 GLN 43 HB2 GLN 43 5.690 10.835 -32.575 330 HB3 GLN 43 HB3 GLN 43 6.223 12.343 -33.317 331 HG2 GLN 43 HG2 GLN 43 8.511 11.532 -33.522 332 HG3 GLN 43 HG3 GLN 43 8.124 10.059 -32.631 333 HE21 GLN 43 HE21 GLN 43 6.782 11.761 -35.618 334 HE22 GLN 43 HE22 GLN 43 6.736 10.193 -36.450 335 H VAL 44 H VAL 44 5.907 12.341 -28.825 336 HA VAL 44 HA VAL 44 3.485 13.678 -29.395 337 HB VAL 44 HB VAL 44 3.277 14.056 -26.984 338 HG11 VAL 44 HG11 VAL 44 3.163 11.710 -26.344 339 HG12 VAL 44 HG12 VAL 44 2.569 11.955 -27.997 340 HG13 VAL 44 HG13 VAL 44 4.175 11.262 -27.732 341 HG21 VAL 44 HG21 VAL 44 5.481 14.547 -26.229 342 HG22 VAL 44 HG22 VAL 44 4.961 13.063 -25.429 343 HG23 VAL 44 HG23 VAL 44 6.103 12.980 -26.781 344 H THR 45 H THR 45 2.627 15.611 -28.820 345 HA THR 45 HA THR 45 3.966 17.785 -29.948 346 HB THR 45 HB THR 45 1.313 18.064 -28.528 347 HG1 THR 45 HG1 THR 45 1.553 16.767 -30.994 348 HG21 THR 45 HG21 THR 45 2.262 18.850 -31.328 349 HG22 THR 45 HG22 THR 45 2.142 19.950 -29.940 350 HG23 THR 45 HG23 THR 45 0.677 19.216 -30.609 351 H GLY 46 H GLY 46 5.550 17.511 -27.770 352 HA2 GLY 46 HA2 GLY 46 6.745 18.974 -26.384 353 HA3 GLY 46 HA3 GLY 46 5.656 20.237 -26.945 354 H PHE 47 H PHE 47 3.572 18.196 -25.474 355 HA PHE 47 HA PHE 47 3.272 19.823 -23.114 356 HB2 PHE 47 HB2 PHE 47 1.580 17.973 -22.544 357 HB3 PHE 47 HB3 PHE 47 1.302 19.014 -23.933 358 HD1 PHE 47 HD2 PHE 47 2.526 15.608 -22.918 359 HD2 PHE 47 HD1 PHE 47 0.858 18.067 -26.047 360 HE1 PHE 47 HE2 PHE 47 1.944 13.575 -24.202 361 HE2 PHE 47 HE1 PHE 47 0.272 16.017 -27.338 362 HZ PHE 47 HZ PHE 47 0.773 13.771 -26.388 363 H PHE 48 H PHE 48 3.151 18.928 -20.875 364 HA PHE 48 HA PHE 48 5.442 17.230 -20.119 365 HB2 PHE 48 HB2 PHE 48 6.148 19.781 -20.392 366 HB3 PHE 48 HB3 PHE 48 5.237 19.990 -18.921 367 HD1 PHE 48 HD1 PHE 48 5.767 18.343 -16.901 368 HD2 PHE 48 HD2 PHE 48 8.490 19.372 -20.089 369 HE1 PHE 48 HE1 PHE 48 7.681 17.757 -15.462 370 HE2 PHE 48 HE2 PHE 48 10.396 18.779 -18.642 371 HZ PHE 48 HZ PHE 48 10.008 17.981 -16.318 372 H GLU 49 H GLU 49 3.922 15.762 -19.108 373 HA GLU 49 HA GLU 49 1.861 16.996 -17.363 374 HB2 GLU 49 HB2 GLU 49 1.763 14.512 -19.090 375 HB3 GLU 49 HB3 GLU 49 0.453 15.364 -18.307 376 HG2 GLU 49 HG2 GLU 49 2.089 16.321 -20.694 377 HG3 GLU 49 HG3 GLU 49 0.449 15.717 -20.732 378 H VAL 50 H VAL 50 1.832 16.334 -15.232 379 HA VAL 50 HA VAL 50 3.575 13.958 -14.616 380 HB VAL 50 HB VAL 50 3.966 16.521 -13.686 381 HG11 VAL 50 HG11 VAL 50 3.785 16.430 -11.264 382 HG12 VAL 50 HG12 VAL 50 2.173 16.263 -11.952 383 HG13 VAL 50 HG13 VAL 50 3.017 14.831 -11.320 384 HG21 VAL 50 HG21 VAL 50 5.716 15.509 -12.348 385 HG22 VAL 50 HG22 VAL 50 4.964 13.906 -12.552 386 HG23 VAL 50 HG23 VAL 50 5.599 14.791 -13.960 387 H THR 51 H THR 51 2.795 12.273 -13.650 388 HA THR 51 HA THR 51 0.037 12.393 -12.523 389 HB THR 51 HB THR 51 0.749 9.845 -13.762 390 HG1 THR 51 HG1 THR 51 0.588 12.082 -15.488 391 HG21 THR 51 HG21 THR 51 -1.536 10.481 -13.156 392 HG22 THR 51 HG22 THR 51 -1.401 10.060 -14.870 393 HG23 THR 51 HG23 THR 51 -1.511 11.766 -14.390 394 H VAL 52 H VAL 52 -0.284 11.117 -10.700 395 HA VAL 52 HA VAL 52 1.794 9.108 -9.967 396 HB VAL 52 HB VAL 52 2.116 11.089 -8.608 397 HG11 VAL 52 HG11 VAL 52 -0.181 12.029 -8.582 398 HG12 VAL 52 HG12 VAL 52 -0.695 10.717 -7.503 399 HG13 VAL 52 HG13 VAL 52 0.518 11.884 -6.967 400 HG21 VAL 52 HG21 VAL 52 2.111 10.016 -6.434 401 HG22 VAL 52 HG22 VAL 52 0.859 8.874 -6.949 402 HG23 VAL 52 HG23 VAL 52 2.486 8.792 -7.657 403 H ALA 53 H ALA 53 1.079 7.134 -9.754 404 HA ALA 53 HA ALA 53 -0.383 5.402 -10.081 405 HB1 ALA 53 HB1 ALA 53 -1.728 4.953 -8.087 406 HB2 ALA 53 HB2 ALA 53 -0.125 5.586 -7.674 407 HB3 ALA 53 HB3 ALA 53 -1.552 6.647 -7.574 408 H GLY 54 H GLY 54 -1.151 7.505 -11.769 409 HA2 GLY 54 HA2 GLY 54 -2.888 7.658 -13.393 410 HA3 GLY 54 HA3 GLY 54 -3.963 6.763 -12.316 411 H LYS 55 H LYS 55 -2.328 9.516 -10.929 412 HA LYS 55 HA LYS 55 -4.741 11.269 -11.217 413 HB2 LYS 55 HB2 LYS 55 -2.894 11.128 -8.892 414 HB3 LYS 55 HB3 LYS 55 -4.359 12.086 -9.001 415 HG2 LYS 55 HG2 LYS 55 -4.169 9.037 -8.880 416 HG3 LYS 55 HG3 LYS 55 -4.655 10.110 -7.562 417 HD2 LYS 55 HD2 LYS 55 -6.682 10.763 -8.729 418 HD3 LYS 55 HD3 LYS 55 -6.180 9.895 -10.193 419 HE2 LYS 55 HE2 LYS 55 -6.095 7.769 -8.854 420 HE3 LYS 55 HE3 LYS 55 -6.808 8.650 -7.492 421 HZ1 LYS 55 HZ1 LYS 55 -8.498 7.520 -8.806 422 HZ2 LYS 55 HZ2 LYS 55 -8.047 8.309 -10.172 423 HZ3 LYS 55 HZ3 LYS 55 -8.720 9.147 -8.929 424 H LEU 56 H LEU 56 -4.204 12.784 -12.700 425 HA LEU 56 HA LEU 56 -1.520 13.831 -13.046 426 HB2 LEU 56 HB2 LEU 56 -2.966 13.780 -14.862 427 HB3 LEU 56 HB3 LEU 56 -4.218 14.765 -14.075 428 HG LEU 56 HG LEU 56 -1.427 15.871 -14.473 429 HD11 LEU 56 HD11 LEU 56 -1.979 16.635 -16.733 430 HD12 LEU 56 HD12 LEU 56 -3.550 15.807 -16.658 431 HD13 LEU 56 HD13 LEU 56 -2.035 14.878 -16.661 432 HD21 LEU 56 HD21 LEU 56 -4.190 17.156 -14.684 433 HD22 LEU 56 HD22 LEU 56 -2.624 18.003 -14.769 434 HD23 LEU 56 HD23 LEU 56 -3.143 17.246 -13.261 435 H VAL 57 H VAL 57 -0.538 15.321 -12.126 436 HA VAL 57 HA VAL 57 -1.903 17.028 -10.031 437 HB VAL 57 HB VAL 57 1.069 16.478 -10.009 438 HG11 VAL 57 HG11 VAL 57 0.268 18.312 -8.591 439 HG12 VAL 57 HG12 VAL 57 -0.925 17.232 -7.836 440 HG13 VAL 57 HG13 VAL 57 0.814 16.957 -7.598 441 HG21 VAL 57 HG21 VAL 57 -1.051 14.762 -8.660 442 HG22 VAL 57 HG22 VAL 57 0.116 14.237 -9.896 443 HG23 VAL 57 HG23 VAL 57 0.692 14.715 -8.302 444 H HIS 58 H HIS 58 0.141 16.971 -12.837 445 HA HIS 58 HA HIS 58 0.223 19.954 -13.008 446 HB2 HIS 58 HB2 HIS 58 2.329 18.940 -12.083 447 HB3 HIS 58 HB3 HIS 58 2.397 17.976 -13.562 448 HD1 HIS 58 HD1 HIS 58 2.063 21.864 -13.247 449 HD2 HIS 58 HD2 HIS 58 3.987 18.719 -15.326 450 HE1 HIS 58 HE1 HIS 58 3.357 22.905 -15.173 451 H SER 59 H SER 59 0.382 20.743 -15.061 452 HA SER 59 HA SER 59 0.530 19.028 -17.422 453 HB2 SER 59 HB2 SER 59 -1.816 18.877 -16.717 454 HB3 SER 59 HB3 SER 59 -1.967 20.608 -16.685 455 HG SER 59 HG SER 59 -1.355 18.978 -18.967 456 H LYS 60 H LYS 60 2.088 20.211 -18.548 457 HA LYS 60 HA LYS 60 1.909 23.126 -18.824 458 HB2 LYS 60 HB2 LYS 60 3.510 20.879 -20.015 459 HB3 LYS 60 HB3 LYS 60 3.437 22.383 -20.911 460 HG2 LYS 60 HG2 LYS 60 4.213 22.238 -17.959 461 HG3 LYS 60 HG3 LYS 60 5.383 22.173 -19.292 462 HD2 LYS 60 HD2 LYS 60 3.557 24.477 -18.600 463 HD3 LYS 60 HD3 LYS 60 5.301 24.380 -18.321 464 HE2 LYS 60 HE2 LYS 60 5.459 23.961 -20.886 465 HE3 LYS 60 HE3 LYS 60 3.797 24.560 -20.964 466 HZ1 LYS 60 HZ1 LYS 60 6.113 26.047 -19.864 467 HZ2 LYS 60 HZ2 LYS 60 4.575 26.632 -19.925 468 HZ3 LYS 60 HZ3 LYS 60 5.406 26.346 -21.318 469 H LYS 61 H LYS 61 0.501 20.390 -20.476 470 HA LYS 61 HA LYS 61 -0.496 21.745 -22.809 471 HB2 LYS 61 HB2 LYS 61 -0.424 19.231 -22.281 472 HB3 LYS 61 HB3 LYS 61 -1.881 19.478 -21.307 473 HG2 LYS 61 HG2 LYS 61 -3.041 20.368 -23.323 474 HG3 LYS 61 HG3 LYS 61 -1.566 20.111 -24.279 475 HD2 LYS 61 HD2 LYS 61 -1.671 17.674 -23.754 476 HD3 LYS 61 HD3 LYS 61 -3.168 17.931 -22.853 477 HE2 LYS 61 HE2 LYS 61 -2.708 18.478 -25.822 478 HE3 LYS 61 HE3 LYS 61 -3.582 17.094 -25.152 479 HZ1 LYS 61 HZ1 LYS 61 -5.106 18.839 -25.869 480 HZ2 LYS 61 HZ2 LYS 61 -4.401 19.933 -24.868 481 HZ3 LYS 61 HZ3 LYS 61 -5.214 18.657 -24.237 482 H ARG 62 H ARG 62 -1.880 21.483 -19.524 483 HA ARG 62 HA ARG 62 -4.256 23.066 -20.003 484 HB2 ARG 62 HB2 ARG 62 -4.065 21.497 -18.169 485 HB3 ARG 62 HB3 ARG 62 -2.558 22.274 -17.628 486 HG2 ARG 62 HG2 ARG 62 -3.613 24.148 -16.755 487 HG3 ARG 62 HG3 ARG 62 -5.192 23.697 -17.471 488 HD2 ARG 62 HD2 ARG 62 -5.621 22.699 -15.532 489 HD3 ARG 62 HD3 ARG 62 -4.494 21.428 -16.006 490 HE ARG 62 HE ARG 62 -2.937 23.461 -14.802 491 HH11 ARG 62 HH11 ARG 62 -5.460 21.189 -13.891 492 HH12 ARG 62 HH12 ARG 62 -5.029 21.203 -12.191 493 HH21 ARG 62 HH21 ARG 62 -2.442 23.379 -12.469 494 HH22 ARG 62 HH22 ARG 62 -3.372 22.348 -11.451 495 H GLY 63 H GLY 63 -0.980 23.841 -19.104 496 HA2 GLY 63 HA2 GLY 63 0.036 25.933 -19.190 497 HA3 GLY 63 HA3 GLY 63 -1.532 26.785 -19.194 498 H ASP 64 H ASP 64 -0.559 24.142 -17.018 499 HA ASP 64 HA ASP 64 -0.950 25.629 -14.614 500 HB2 ASP 64 HB2 ASP 64 -0.986 23.112 -15.015 501 HB3 ASP 64 HB3 ASP 64 0.790 23.191 -15.067 502 H GLY 65 H GLY 65 1.930 25.228 -16.629 503 HA2 GLY 65 HA2 GLY 65 3.861 26.592 -16.678 504 HA3 GLY 65 HA3 GLY 65 3.340 27.391 -15.187 505 H TYR 66 H TYR 66 5.999 26.498 -15.661 506 HA TYR 66 HA TYR 66 6.540 23.897 -14.462 507 HB2 TYR 66 HB2 TYR 66 8.335 26.239 -15.180 508 HB3 TYR 66 HB3 TYR 66 8.872 24.633 -14.722 509 HD1 TYR 66 HD2 TYR 66 7.713 22.610 -16.100 510 HD2 TYR 66 HD1 TYR 66 8.381 26.629 -17.518 511 HE1 TYR 66 HE2 TYR 66 7.632 21.782 -18.418 512 HE2 TYR 66 HE1 TYR 66 8.328 25.781 -19.886 513 HH TYR 66 HH TYR 66 7.890 22.351 -20.654 514 H VAL 67 H VAL 67 8.724 24.515 -12.785 515 HA VAL 67 HA VAL 67 7.237 25.406 -10.378 516 HB VAL 67 HB VAL 67 9.098 25.054 -9.064 517 HG11 VAL 67 HG11 VAL 67 8.071 22.690 -10.715 518 HG12 VAL 67 HG12 VAL 67 8.903 22.495 -9.172 519 HG13 VAL 67 HG13 VAL 67 7.356 23.368 -9.237 520 HG21 VAL 67 HG21 VAL 67 10.370 23.589 -11.465 521 HG22 VAL 67 HG22 VAL 67 11.011 25.072 -10.728 522 HG23 VAL 67 HG23 VAL 67 10.993 23.568 -9.803 523 H ASP 68 H ASP 68 6.852 27.186 -11.399 524 HA ASP 68 HA ASP 68 8.457 29.445 -11.976 525 HB2 ASP 68 HB2 ASP 68 5.599 29.180 -11.145 526 HB3 ASP 68 HB3 ASP 68 6.304 30.570 -11.933 527 H THR 69 H THR 69 7.221 28.123 -8.898 528 HA THR 69 HA THR 69 8.853 30.066 -7.494 529 HB THR 69 HB THR 69 7.005 29.772 -5.689 530 HG1 THR 69 HG1 THR 69 5.383 29.770 -7.944 531 HG21 THR 69 HG21 THR 69 7.655 31.988 -6.622 532 HG22 THR 69 HG22 THR 69 5.912 31.898 -6.303 533 HG23 THR 69 HG23 THR 69 6.525 31.740 -7.964 534 H GLU 70 H GLU 70 9.749 29.155 -5.663 535 HA GLU 70 HA GLU 70 10.178 26.441 -5.207 536 HB2 GLU 70 HB2 GLU 70 11.026 28.660 -4.066 537 HB3 GLU 70 HB3 GLU 70 9.734 28.465 -2.931 538 HG2 GLU 70 HG2 GLU 70 11.578 26.109 -3.412 539 HG3 GLU 70 HG3 GLU 70 12.175 27.489 -2.499 540 H SER 71 H SER 71 7.898 28.426 -3.724 541 HA SER 71 HA SER 71 6.342 26.648 -2.234 542 HB2 SER 71 HB2 SER 71 6.109 29.283 -2.657 543 HB3 SER 71 HB3 SER 71 4.787 28.765 -3.704 544 HG SER 71 HG SER 71 5.170 28.329 -0.933 545 H LYS 72 H LYS 72 6.147 27.150 -5.744 546 HA LYS 72 HA LYS 72 3.776 25.526 -6.091 547 HB2 LYS 72 HB2 LYS 72 4.697 27.098 -7.924 548 HB3 LYS 72 HB3 LYS 72 5.848 25.808 -8.292 549 HG2 LYS 72 HG2 LYS 72 3.803 24.208 -8.349 550 HG3 LYS 72 HG3 LYS 72 2.778 25.627 -8.185 551 HD2 LYS 72 HD2 LYS 72 4.601 24.929 -10.504 552 HD3 LYS 72 HD3 LYS 72 2.845 24.795 -10.459 553 HE2 LYS 72 HE2 LYS 72 2.711 27.306 -10.105 554 HE3 LYS 72 HE3 LYS 72 4.471 27.357 -10.356 555 HZ1 LYS 72 HZ1 LYS 72 4.029 26.180 -12.501 556 HZ2 LYS 72 HZ2 LYS 72 3.621 27.725 -12.482 557 HZ3 LYS 72 HZ3 LYS 72 2.437 26.584 -12.386 558 H PHE 73 H PHE 73 7.250 24.844 -6.268 559 HA PHE 73 HA PHE 73 6.985 22.014 -6.841 560 HB2 PHE 73 HB2 PHE 73 9.128 23.315 -7.095 561 HB3 PHE 73 HB3 PHE 73 9.231 23.441 -5.354 562 HD1 PHE 73 HD1 PHE 73 8.484 20.592 -7.752 563 HD2 PHE 73 HD2 PHE 73 10.869 22.024 -4.434 564 HE1 PHE 73 HE1 PHE 73 9.526 18.371 -7.525 565 HE2 PHE 73 HE2 PHE 73 11.904 19.802 -4.239 566 HZ PHE 73 HZ PHE 73 11.206 17.956 -5.760 567 H ARG 74 H ARG 74 7.324 23.779 -3.816 568 HA ARG 74 HA ARG 74 7.249 21.555 -2.046 569 HB2 ARG 74 HB2 ARG 74 8.098 23.902 -1.630 570 HB3 ARG 74 HB3 ARG 74 6.414 24.430 -1.468 571 HG2 ARG 74 HG2 ARG 74 6.108 22.984 0.480 572 HG3 ARG 74 HG3 ARG 74 7.718 22.276 0.270 573 HD2 ARG 74 HD2 ARG 74 7.227 25.245 0.757 574 HD3 ARG 74 HD3 ARG 74 7.474 24.094 2.065 575 HE ARG 74 HE ARG 74 9.490 25.145 0.161 576 HH11 ARG 74 HH11 ARG 74 8.940 22.662 2.572 577 HH12 ARG 74 HH12 ARG 74 10.651 22.494 2.909 578 HH21 ARG 74 HH21 ARG 74 11.542 24.892 0.628 579 HH22 ARG 74 HH22 ARG 74 12.155 23.725 1.786 580 H LYS 75 H LYS 75 4.543 23.117 -3.634 581 HA LYS 75 HA LYS 75 2.504 22.042 -1.869 582 HB2 LYS 75 HB2 LYS 75 2.506 23.467 -4.501 583 HB3 LYS 75 HB3 LYS 75 1.235 22.271 -4.307 584 HG2 LYS 75 HG2 LYS 75 0.216 24.199 -3.534 585 HG3 LYS 75 HG3 LYS 75 0.692 23.388 -2.037 586 HD2 LYS 75 HD2 LYS 75 2.757 24.842 -2.000 587 HD3 LYS 75 HD3 LYS 75 2.126 25.661 -3.460 588 HE2 LYS 75 HE2 LYS 75 0.084 26.286 -2.121 589 HE3 LYS 75 HE3 LYS 75 0.885 25.625 -0.686 590 HZ1 LYS 75 HZ1 LYS 75 1.853 27.878 -2.365 591 HZ2 LYS 75 HZ2 LYS 75 2.748 27.234 -1.182 592 HZ3 LYS 75 HZ3 LYS 75 1.319 27.987 -0.819 593 H LEU 76 H LEU 76 4.326 20.778 -4.588 594 HA LEU 76 HA LEU 76 2.637 18.342 -4.674 595 HB2 LEU 76 HB2 LEU 76 3.732 19.392 -6.726 596 HB3 LEU 76 HB3 LEU 76 5.301 18.874 -6.117 597 HG LEU 76 HG LEU 76 3.099 16.810 -6.449 598 HD11 LEU 76 HD11 LEU 76 3.819 16.415 -8.772 599 HD12 LEU 76 HD12 LEU 76 4.892 17.834 -8.691 600 HD13 LEU 76 HD13 LEU 76 3.133 18.036 -8.584 601 HD21 LEU 76 HD21 LEU 76 5.007 15.334 -7.009 602 HD22 LEU 76 HD22 LEU 76 5.269 16.084 -5.438 603 HD23 LEU 76 HD23 LEU 76 6.128 16.706 -6.861 604 H VAL 77 H VAL 77 5.869 19.235 -3.780 605 HA VAL 77 HA VAL 77 6.641 16.634 -2.805 606 HB VAL 77 HB VAL 77 7.568 19.425 -2.024 607 HG11 VAL 77 HG11 VAL 77 9.522 18.346 -0.893 608 HG12 VAL 77 HG12 VAL 77 8.012 18.117 -0.021 609 HG13 VAL 77 HG13 VAL 77 8.668 16.792 -0.996 610 HG21 VAL 77 HG21 VAL 77 8.910 17.135 -3.521 611 HG22 VAL 77 HG22 VAL 77 8.186 18.577 -4.279 612 HG23 VAL 77 HG23 VAL 77 9.599 18.741 -3.224 613 H THR 78 H THR 78 4.977 19.231 -1.078 614 HA THR 78 HA THR 78 4.830 17.715 1.360 615 HB THR 78 HB THR 78 3.002 19.983 0.474 616 HG1 THR 78 HG1 THR 78 4.997 20.738 0.437 617 HG21 THR 78 HG21 THR 78 3.724 18.979 3.265 618 HG22 THR 78 HG22 THR 78 2.131 18.833 2.484 619 HG23 THR 78 HG23 THR 78 2.765 20.431 2.907 620 H ALA 79 H ALA 79 2.770 17.908 -1.500 621 HA ALA 79 HA ALA 79 0.610 16.581 -0.042 622 HB1 ALA 79 HB1 ALA 79 0.933 17.138 -3.033 623 HB2 ALA 79 HB2 ALA 79 -0.554 16.549 -2.256 624 HB3 ALA 79 HB3 ALA 79 0.059 18.166 -1.870 625 H ILE 80 H ILE 80 3.274 15.534 -1.908 626 HA ILE 80 HA ILE 80 2.211 12.763 -2.182 627 HB ILE 80 HB ILE 80 4.938 13.953 -2.747 628 HG12 ILE 80 HG12 ILE 80 3.210 14.757 -4.320 629 HG13 ILE 80 HG13 ILE 80 4.423 13.744 -5.090 630 HG21 ILE 80 HG21 ILE 80 5.258 11.613 -2.240 631 HG22 ILE 80 HG22 ILE 80 3.864 11.132 -3.221 632 HG23 ILE 80 HG23 ILE 80 5.329 11.782 -3.996 633 HD11 ILE 80 HD11 ILE 80 2.179 13.315 -5.961 634 HD12 ILE 80 HD12 ILE 80 2.807 11.867 -5.164 635 HD13 ILE 80 HD13 ILE 80 1.592 12.882 -4.346 636 H LYS 81 H LYS 81 4.295 14.629 -0.032 637 HA LYS 81 HA LYS 81 5.295 12.316 1.483 638 HB2 LYS 81 HB2 LYS 81 6.422 14.535 1.373 639 HB3 LYS 81 HB3 LYS 81 5.117 15.278 2.286 640 HG2 LYS 81 HG2 LYS 81 5.636 14.175 4.271 641 HG3 LYS 81 HG3 LYS 81 6.460 12.839 3.472 642 HD2 LYS 81 HD2 LYS 81 7.634 15.655 3.514 643 HD3 LYS 81 HD3 LYS 81 7.921 14.442 4.784 644 HE2 LYS 81 HE2 LYS 81 8.620 12.826 2.926 645 HE3 LYS 81 HE3 LYS 81 8.610 14.224 1.828 646 HZ1 LYS 81 HZ1 LYS 81 10.271 14.240 4.281 647 HZ2 LYS 81 HZ2 LYS 81 10.376 15.194 2.926 648 HZ3 LYS 81 HZ3 LYS 81 10.777 13.642 2.834 649 H ALA 82 H ALA 82 2.833 14.687 1.910 650 HA ALA 82 HA ALA 82 1.710 13.766 4.417 651 HB1 ALA 82 HB1 ALA 82 0.393 15.382 2.186 652 HB2 ALA 82 HB2 ALA 82 -0.227 15.191 3.841 653 HB3 ALA 82 HB3 ALA 82 1.305 16.043 3.565 654 H ALA 83 H ALA 83 0.676 13.172 1.007 655 HA ALA 83 HA ALA 83 -1.357 11.306 1.676 656 HB1 ALA 83 HB1 ALA 83 0.328 11.488 -0.850 657 HB2 ALA 83 HB2 ALA 83 -1.197 10.595 -0.683 658 HB3 ALA 83 HB3 ALA 83 -1.193 12.363 -0.541 659 H LEU 84 H LEU 84 2.068 10.863 1.245 660 HA LEU 84 HA LEU 84 2.059 7.975 1.313 661 HB2 LEU 84 HB2 LEU 84 3.970 9.409 0.571 662 HB3 LEU 84 HB3 LEU 84 4.289 9.867 2.226 663 HG LEU 84 HG LEU 84 5.734 8.163 1.129 664 HD11 LEU 84 HD11 LEU 84 5.787 8.486 3.558 665 HD12 LEU 84 HD12 LEU 84 6.084 6.795 3.125 666 HD13 LEU 84 HD13 LEU 84 4.510 7.264 3.763 667 HD21 LEU 84 HD21 LEU 84 3.431 6.232 1.704 668 HD22 LEU 84 HD22 LEU 84 5.025 5.784 1.112 669 HD23 LEU 84 HD23 LEU 84 3.967 6.756 0.086 670 H ALA 85 H ALA 85 2.803 10.303 3.841 671 HA ALA 85 HA ALA 85 2.812 8.449 6.012 672 HB1 ALA 85 HB1 ALA 85 2.602 10.430 7.476 673 HB2 ALA 85 HB2 ALA 85 3.730 10.756 6.142 674 HB3 ALA 85 HB3 ALA 85 2.076 11.408 6.089 675 H GLN 86 H GLN 86 0.134 9.641 4.365 676 HA GLN 86 HA GLN 86 -1.870 8.938 6.437 677 HB2 GLN 86 HB2 GLN 86 -2.162 10.963 5.007 678 HB3 GLN 86 HB3 GLN 86 -2.290 9.920 3.586 679 HG2 GLN 86 HG2 GLN 86 -4.343 8.890 4.527 680 HG3 GLN 86 HG3 GLN 86 -4.165 9.864 5.993 681 HE21 GLN 86 HE21 GLN 86 -4.475 10.321 2.344 682 HE22 GLN 86 HE22 GLN 86 -5.445 11.780 2.651 683 H CYS 87 H CYS 87 -0.715 7.790 3.399 684 HA CYS 87 HA CYS 87 -2.298 5.397 3.076 685 HB2 CYS 87 HB2 CYS 87 -0.783 6.541 1.374 686 HB3 CYS 87 HB3 CYS 87 0.606 5.870 2.232 687 HG CYS 87 HG CYS 87 -1.950 4.114 1.089 688 H GLN 88 H GLN 88 0.662 6.071 4.867 689 HA GLN 88 HA GLN 88 1.309 3.327 5.415 690 HB2 GLN 88 HB2 GLN 88 2.181 5.934 6.681 691 HB3 GLN 88 HB3 GLN 88 2.733 4.368 7.313 692 HG2 GLN 88 HG2 GLN 88 3.471 3.723 5.003 693 HG3 GLN 88 HG3 GLN 88 3.126 5.365 4.462 694 HE21 GLN 88 HE21 GLN 88 4.258 6.322 7.311 695 HE22 GLN 88 HE22 GLN 88 5.992 6.185 6.919 Start of MODEL 7 1 H1 MET 1 H1 MET 1 0.648 1.661 -1.905 2 H2 MET 1 H2 MET 1 0.476 1.962 -0.296 3 H3 MET 1 H3 MET 1 -0.094 0.567 -0.910 4 HA MET 1 HA MET 1 1.912 0.295 0.333 5 HB2 MET 1 HB2 MET 1 3.033 -1.177 -1.181 6 HB3 MET 1 HB3 MET 1 1.311 -1.304 -1.400 7 HG2 MET 1 HG2 MET 1 1.397 -0.028 -3.480 8 HG3 MET 1 HG3 MET 1 3.139 0.198 -3.299 9 HE1 MET 1 HE1 MET 1 2.169 -0.880 -5.973 10 HE2 MET 1 HE2 MET 1 3.892 -0.775 -5.531 11 HE3 MET 1 HE3 MET 1 3.241 -2.278 -6.222 12 H ALA 2 H ALA 2 4.421 0.602 -1.745 13 HA ALA 2 HA ALA 2 5.064 3.387 -1.508 14 HB1 ALA 2 HB1 ALA 2 6.342 2.951 -3.636 15 HB2 ALA 2 HB2 ALA 2 6.664 1.729 -2.389 16 HB3 ALA 2 HB3 ALA 2 5.571 1.365 -3.748 17 H LEU 3 H LEU 3 4.898 4.948 -3.469 18 HA LEU 3 HA LEU 3 2.192 4.900 -4.635 19 HB2 LEU 3 HB2 LEU 3 3.759 6.960 -3.355 20 HB3 LEU 3 HB3 LEU 3 3.827 7.289 -5.066 21 HG LEU 3 HG LEU 3 2.028 8.564 -4.172 22 HD11 LEU 3 HD11 LEU 3 -0.007 7.793 -5.174 23 HD12 LEU 3 HD12 LEU 3 0.534 6.116 -5.200 24 HD13 LEU 3 HD13 LEU 3 1.320 7.327 -6.249 25 HD21 LEU 3 HD21 LEU 3 1.828 7.466 -2.006 26 HD22 LEU 3 HD22 LEU 3 1.055 6.055 -2.755 27 HD23 LEU 3 HD23 LEU 3 0.230 7.629 -2.745 28 H ALA 4 H ALA 4 2.167 5.741 -6.830 29 HA ALA 4 HA ALA 4 4.552 5.072 -8.517 30 HB1 ALA 4 HB1 ALA 4 2.889 3.205 -8.409 31 HB2 ALA 4 HB2 ALA 4 1.659 4.294 -9.095 32 HB3 ALA 4 HB3 ALA 4 3.101 3.842 -10.033 33 H VAL 5 H VAL 5 5.173 6.769 -9.808 34 HA VAL 5 HA VAL 5 3.104 8.718 -10.673 35 HB VAL 5 HB VAL 5 5.874 9.466 -9.904 36 HG11 VAL 5 HG11 VAL 5 3.482 11.293 -10.132 37 HG12 VAL 5 HG12 VAL 5 5.141 11.748 -9.727 38 HG13 VAL 5 HG13 VAL 5 4.784 11.144 -11.337 39 HG21 VAL 5 HG21 VAL 5 4.767 8.687 -7.818 40 HG22 VAL 5 HG22 VAL 5 4.946 10.438 -7.783 41 HG23 VAL 5 HG23 VAL 5 3.375 9.717 -8.193 42 H ARG 6 H ARG 6 3.405 9.712 -12.544 43 HA ARG 6 HA ARG 6 5.441 8.762 -14.505 44 HB2 ARG 6 HB2 ARG 6 2.650 8.071 -14.455 45 HB3 ARG 6 HB3 ARG 6 2.812 9.296 -15.708 46 HG2 ARG 6 HG2 ARG 6 3.043 7.098 -16.672 47 HG3 ARG 6 HG3 ARG 6 4.550 8.028 -16.815 48 HD2 ARG 6 HD2 ARG 6 4.873 5.625 -16.248 49 HD3 ARG 6 HD3 ARG 6 5.617 6.747 -15.107 50 HE ARG 6 HE ARG 6 2.952 5.928 -14.307 51 HH11 ARG 6 HH11 ARG 6 6.202 4.522 -14.203 52 HH12 ARG 6 HH12 ARG 6 6.083 4.343 -12.455 53 HH21 ARG 6 HH21 ARG 6 2.919 5.409 -12.100 54 HH22 ARG 6 HH22 ARG 6 4.397 4.634 -11.482 55 H VAL 7 H VAL 7 5.773 10.101 -16.329 56 HA VAL 7 HA VAL 7 4.753 12.871 -16.329 57 HB VAL 7 HB VAL 7 7.706 12.262 -16.614 58 HG11 VAL 7 HG11 VAL 7 6.184 14.896 -16.371 59 HG12 VAL 7 HG12 VAL 7 7.948 14.704 -16.536 60 HG13 VAL 7 HG13 VAL 7 6.874 14.252 -17.859 61 HG21 VAL 7 HG21 VAL 7 7.272 11.937 -14.285 62 HG22 VAL 7 HG22 VAL 7 8.050 13.504 -14.509 63 HG23 VAL 7 HG23 VAL 7 6.298 13.408 -14.200 64 H VAL 8 H VAL 8 3.700 12.743 -18.298 65 HA VAL 8 HA VAL 8 5.024 11.506 -20.673 66 HB VAL 8 HB VAL 8 2.555 13.231 -20.430 67 HG11 VAL 8 HG11 VAL 8 3.619 13.869 -22.563 68 HG12 VAL 8 HG12 VAL 8 3.817 12.147 -22.967 69 HG13 VAL 8 HG13 VAL 8 2.200 12.874 -22.858 70 HG21 VAL 8 HG21 VAL 8 2.953 10.425 -21.561 71 HG22 VAL 8 HG22 VAL 8 2.412 10.745 -19.891 72 HG23 VAL 8 HG23 VAL 8 1.412 11.245 -21.271 73 H TYR 9 H TYR 9 6.395 12.575 -22.092 74 HA TYR 9 HA TYR 9 6.150 15.405 -22.419 75 HB2 TYR 9 HB2 TYR 9 7.673 15.410 -20.483 76 HB3 TYR 9 HB3 TYR 9 8.794 14.349 -21.353 77 HD1 TYR 9 HD1 TYR 9 6.932 17.532 -22.146 78 HD2 TYR 9 HD2 TYR 9 10.735 15.500 -21.977 79 HE1 TYR 9 HE1 TYR 9 8.063 19.575 -22.992 80 HE2 TYR 9 HE2 TYR 9 11.864 17.568 -22.799 81 HH TYR 9 HH TYR 9 11.469 19.649 -23.824 82 H SER 10 H SER 10 7.550 16.114 -24.372 83 HA SER 10 HA SER 10 8.115 13.916 -26.269 84 HB2 SER 10 HB2 SER 10 8.947 15.803 -27.709 85 HB3 SER 10 HB3 SER 10 7.219 15.807 -27.357 86 HG SER 10 HG SER 10 9.086 17.231 -25.768 87 H GLY 11 H GLY 11 9.911 12.853 -26.063 88 HA2 GLY 11 HA2 GLY 11 12.225 13.601 -24.562 89 HA3 GLY 11 HA3 GLY 11 12.093 12.213 -25.648 90 H ALA 12 H ALA 12 12.074 15.714 -26.318 91 HA ALA 12 HA ALA 12 13.644 15.519 -28.722 92 HB1 ALA 12 HB1 ALA 12 11.760 17.082 -28.362 93 HB2 ALA 12 HB2 ALA 12 12.704 17.931 -27.112 94 HB3 ALA 12 HB3 ALA 12 13.246 17.943 -28.801 95 H CYS 13 H CYS 13 15.291 14.484 -26.817 96 HA CYS 13 HA CYS 13 17.257 14.528 -25.686 97 HB2 CYS 13 HB2 CYS 13 17.968 15.377 -28.045 98 HB3 CYS 13 HB3 CYS 13 18.168 16.948 -27.245 99 HG CYS 13 HG CYS 13 19.726 14.067 -26.963 100 H GLY 14 H GLY 14 18.900 16.264 -24.549 101 HA2 GLY 14 HA2 GLY 14 19.250 17.490 -22.639 102 HA3 GLY 14 HA3 GLY 14 17.887 18.488 -23.150 103 H TYR 15 H TYR 15 15.972 16.243 -22.840 104 HA TYR 15 HA TYR 15 14.957 16.954 -20.427 105 HB2 TYR 15 HB2 TYR 15 13.273 15.287 -20.737 106 HB3 TYR 15 HB3 TYR 15 13.698 15.982 -22.298 107 HD1 TYR 15 HD1 TYR 15 14.968 14.642 -23.978 108 HD2 TYR 15 HD2 TYR 15 13.554 12.926 -20.281 109 HE1 TYR 15 HE1 TYR 15 15.378 12.350 -24.877 110 HE2 TYR 15 HE2 TYR 15 13.955 10.648 -21.190 111 HH TYR 15 HH TYR 15 14.402 9.449 -23.155 112 H LYS 16 H LYS 16 16.943 14.049 -20.873 113 HA LYS 16 HA LYS 16 16.267 12.676 -18.585 114 HB2 LYS 16 HB2 LYS 16 17.895 12.137 -20.585 115 HB3 LYS 16 HB3 LYS 16 19.167 12.547 -19.436 116 HG2 LYS 16 HG2 LYS 16 16.947 10.509 -18.928 117 HG3 LYS 16 HG3 LYS 16 18.480 10.091 -19.686 118 HD2 LYS 16 HD2 LYS 16 18.194 11.205 -16.866 119 HD3 LYS 16 HD3 LYS 16 18.344 9.507 -17.260 120 HE2 LYS 16 HE2 LYS 16 20.443 11.625 -17.918 121 HE3 LYS 16 HE3 LYS 16 20.476 10.568 -16.498 122 HZ1 LYS 16 HZ1 LYS 16 21.844 9.657 -18.253 123 HZ2 LYS 16 HZ2 LYS 16 20.590 9.624 -19.309 124 HZ3 LYS 16 HZ3 LYS 16 20.578 8.650 -17.992 125 HA PRO 17 HA PRO 17 19.255 14.812 -15.523 126 HB2 PRO 17 HB2 PRO 17 20.359 17.253 -16.152 127 HB3 PRO 17 HB3 PRO 17 21.167 15.684 -16.459 128 HG2 PRO 17 HG2 PRO 17 19.531 17.344 -18.407 129 HG3 PRO 17 HG3 PRO 17 21.159 16.631 -18.657 130 HD2 PRO 17 HD2 PRO 17 18.969 15.360 -19.573 131 HD3 PRO 17 HD3 PRO 17 20.279 14.438 -18.790 132 H LYS 18 H LYS 18 17.281 17.035 -17.616 133 HA LYS 18 HA LYS 18 16.341 18.627 -15.399 134 HB2 LYS 18 HB2 LYS 18 16.131 19.239 -17.816 135 HB3 LYS 18 HB3 LYS 18 14.845 18.026 -17.991 136 HG2 LYS 18 HG2 LYS 18 13.464 19.215 -16.333 137 HG3 LYS 18 HG3 LYS 18 14.786 20.351 -16.008 138 HD2 LYS 18 HD2 LYS 18 14.672 21.133 -18.372 139 HD3 LYS 18 HD3 LYS 18 13.287 20.074 -18.658 140 HE2 LYS 18 HE2 LYS 18 13.400 22.296 -16.555 141 HE3 LYS 18 HE3 LYS 18 12.729 22.498 -18.174 142 HZ1 LYS 18 HZ1 LYS 18 10.980 22.022 -16.614 143 HZ2 LYS 18 HZ2 LYS 18 11.689 20.625 -16.123 144 HZ3 LYS 18 HZ3 LYS 18 11.101 20.770 -17.656 145 H TYR 19 H TYR 19 15.094 15.631 -16.788 146 HA TYR 19 HA TYR 19 12.840 15.184 -15.085 147 HB2 TYR 19 HB2 TYR 19 14.606 13.558 -16.869 148 HB3 TYR 19 HB3 TYR 19 13.835 12.674 -15.562 149 HD1 TYR 19 HD2 TYR 19 12.873 15.280 -18.133 150 HD2 TYR 19 HD1 TYR 19 11.802 11.701 -15.965 151 HE1 TYR 19 HE2 TYR 19 10.748 15.109 -19.445 152 HE2 TYR 19 HE1 TYR 19 9.703 11.555 -17.277 153 HH TYR 19 HH TYR 19 8.738 13.969 -19.662 154 H LEU 20 H LEU 20 16.213 13.980 -14.756 155 HA LEU 20 HA LEU 20 15.971 12.782 -12.198 156 HB2 LEU 20 HB2 LEU 20 18.239 14.163 -13.570 157 HB3 LEU 20 HB3 LEU 20 18.474 13.400 -12.046 158 HG LEU 20 HG LEU 20 17.462 11.854 -14.474 159 HD11 LEU 20 HD11 LEU 20 20.283 12.136 -13.362 160 HD12 LEU 20 HD12 LEU 20 19.717 12.655 -14.964 161 HD13 LEU 20 HD13 LEU 20 19.785 10.922 -14.554 162 HD21 LEU 20 HD21 LEU 20 18.638 10.943 -11.811 163 HD22 LEU 20 HD22 LEU 20 18.170 9.880 -13.155 164 HD23 LEU 20 HD23 LEU 20 16.939 10.807 -12.292 165 H GLN 21 H GLN 21 16.631 16.219 -12.983 166 HA GLN 21 HA GLN 21 17.402 16.984 -10.378 167 HB2 GLN 21 HB2 GLN 21 17.964 18.394 -12.214 168 HB3 GLN 21 HB3 GLN 21 16.328 18.353 -12.876 169 HG2 GLN 21 HG2 GLN 21 15.509 19.770 -11.089 170 HG3 GLN 21 HG3 GLN 21 17.147 19.897 -10.397 171 HE21 GLN 21 HE21 GLN 21 18.372 21.696 -11.177 172 HE22 GLN 21 HE22 GLN 21 17.936 22.486 -12.704 173 H LEU 22 H LEU 22 14.175 16.801 -11.824 174 HA LEU 22 HA LEU 22 12.818 17.696 -9.366 175 HB2 LEU 22 HB2 LEU 22 11.830 17.938 -11.692 176 HB3 LEU 22 HB3 LEU 22 11.706 16.173 -11.755 177 HG LEU 22 HG LEU 22 10.288 16.399 -9.558 178 HD11 LEU 22 HD11 LEU 22 9.087 18.491 -9.275 179 HD12 LEU 22 HD12 LEU 22 9.946 19.235 -10.639 180 HD13 LEU 22 HD13 LEU 22 10.822 18.822 -9.146 181 HD21 LEU 22 HD21 LEU 22 9.224 17.429 -12.209 182 HD22 LEU 22 HD22 LEU 22 8.239 16.828 -10.853 183 HD23 LEU 22 HD23 LEU 22 9.342 15.730 -11.695 184 H LYS 23 H LYS 23 13.540 14.484 -10.944 185 HA LYS 23 HA LYS 23 11.952 12.922 -9.149 186 HB2 LYS 23 HB2 LYS 23 14.097 12.470 -11.257 187 HB3 LYS 23 HB3 LYS 23 13.706 11.232 -10.075 188 HG2 LYS 23 HG2 LYS 23 11.407 11.237 -10.684 189 HG3 LYS 23 HG3 LYS 23 11.679 12.504 -11.906 190 HD2 LYS 23 HD2 LYS 23 11.484 10.238 -12.879 191 HD3 LYS 23 HD3 LYS 23 12.874 11.227 -13.329 192 HE2 LYS 23 HE2 LYS 23 13.655 9.116 -13.012 193 HE3 LYS 23 HE3 LYS 23 14.259 10.028 -11.623 194 HZ1 LYS 23 HZ1 LYS 23 12.298 9.094 -10.376 195 HZ2 LYS 23 HZ2 LYS 23 13.453 8.088 -10.595 196 HZ3 LYS 23 HZ3 LYS 23 12.069 8.000 -11.553 197 H GLU 24 H GLU 24 15.441 13.347 -9.361 198 HA GLU 24 HA GLU 24 16.450 11.965 -7.193 199 HB2 GLU 24 HB2 GLU 24 17.794 13.438 -8.751 200 HB3 GLU 24 HB3 GLU 24 17.064 14.848 -8.008 201 HG2 GLU 24 HG2 GLU 24 18.365 13.232 -5.944 202 HG3 GLU 24 HG3 GLU 24 19.479 13.556 -7.280 203 H LYS 25 H LYS 25 14.927 15.142 -6.931 204 HA LYS 25 HA LYS 25 15.288 15.442 -4.085 205 HB2 LYS 25 HB2 LYS 25 14.069 16.915 -6.314 206 HB3 LYS 25 HB3 LYS 25 12.837 16.734 -5.098 207 HG2 LYS 25 HG2 LYS 25 13.968 18.830 -4.767 208 HG3 LYS 25 HG3 LYS 25 14.276 17.744 -3.398 209 HD2 LYS 25 HD2 LYS 25 16.286 19.050 -4.129 210 HD3 LYS 25 HD3 LYS 25 16.526 17.296 -4.190 211 HE2 LYS 25 HE2 LYS 25 15.983 17.359 -6.653 212 HE3 LYS 25 HE3 LYS 25 15.913 19.130 -6.569 213 HZ1 LYS 25 HZ1 LYS 25 18.111 18.067 -7.262 214 HZ2 LYS 25 HZ2 LYS 25 18.220 17.401 -5.849 215 HZ3 LYS 25 HZ3 LYS 25 18.290 19.052 -5.928 216 H LEU 26 H LEU 26 12.576 14.266 -5.917 217 HA LEU 26 HA LEU 26 10.766 13.773 -3.743 218 HB2 LEU 26 HB2 LEU 26 11.030 13.330 -6.703 219 HB3 LEU 26 HB3 LEU 26 10.095 12.139 -5.845 220 HG LEU 26 HG LEU 26 8.773 13.866 -6.860 221 HD11 LEU 26 HD11 LEU 26 7.907 12.713 -4.873 222 HD12 LEU 26 HD12 LEU 26 7.300 14.382 -4.959 223 HD13 LEU 26 HD13 LEU 26 8.595 13.971 -3.825 224 HD21 LEU 26 HD21 LEU 26 8.667 16.156 -5.974 225 HD22 LEU 26 HD22 LEU 26 10.285 15.792 -6.616 226 HD23 LEU 26 HD23 LEU 26 10.005 15.803 -4.863 227 H GLU 27 H GLU 27 12.657 11.567 -5.771 228 HA GLU 27 HA GLU 27 12.332 9.200 -4.197 229 HB2 GLU 27 HB2 GLU 27 14.154 10.231 -6.371 230 HB3 GLU 27 HB3 GLU 27 14.640 8.803 -5.484 231 HG2 GLU 27 HG2 GLU 27 12.955 7.495 -6.361 232 HG3 GLU 27 HG3 GLU 27 11.769 8.801 -6.324 233 H HIS 28 H HIS 28 14.776 11.845 -3.797 234 HA HIS 28 HA HIS 28 16.073 10.509 -1.608 235 HB2 HIS 28 HB2 HIS 28 17.014 12.438 -2.821 236 HB3 HIS 28 HB3 HIS 28 15.742 13.479 -2.186 237 HD1 HIS 28 HD1 HIS 28 17.126 15.028 -0.679 238 HD2 HIS 28 HD2 HIS 28 17.824 10.936 -0.048 239 HE1 HIS 28 HE1 HIS 28 18.661 14.847 1.393 240 H GLU 29 H GLU 29 13.237 12.691 -1.742 241 HA GLU 29 HA GLU 29 12.787 12.875 1.102 242 HB2 GLU 29 HB2 GLU 29 11.432 13.536 -1.463 243 HB3 GLU 29 HB3 GLU 29 10.340 13.169 -0.155 244 HG2 GLU 29 HG2 GLU 29 12.607 15.120 0.343 245 HG3 GLU 29 HG3 GLU 29 11.261 15.630 -0.673 246 H PHE 30 H PHE 30 11.743 10.592 -1.295 247 HA PHE 30 HA PHE 30 10.344 8.859 0.707 248 HB2 PHE 30 HB2 PHE 30 9.520 9.489 -2.153 249 HB3 PHE 30 HB3 PHE 30 8.602 8.551 -0.992 250 HD1 PHE 30 HD1 PHE 30 8.293 9.927 1.396 251 HD2 PHE 30 HD2 PHE 30 8.730 11.644 -2.532 252 HE1 PHE 30 HE1 PHE 30 7.354 12.036 2.221 253 HE2 PHE 30 HE2 PHE 30 7.753 13.781 -1.697 254 HZ PHE 30 HZ PHE 30 7.138 14.012 0.658 255 HA PRO 31 HA PRO 31 13.459 6.750 -2.163 256 HB2 PRO 31 HB2 PRO 31 15.185 5.542 -0.470 257 HB3 PRO 31 HB3 PRO 31 15.329 7.236 -1.029 258 HG2 PRO 31 HG2 PRO 31 14.121 6.240 1.583 259 HG3 PRO 31 HG3 PRO 31 15.267 7.602 1.353 260 HD2 PRO 31 HD2 PRO 31 12.586 8.024 1.589 261 HD3 PRO 31 HD3 PRO 31 13.583 8.981 0.452 262 H GLY 32 H GLY 32 12.762 5.175 -3.013 263 HA2 GLY 32 HA2 GLY 32 11.526 3.260 -3.616 264 HA3 GLY 32 HA3 GLY 32 12.166 2.501 -2.154 265 H CYS 33 H CYS 33 10.481 5.100 -0.887 266 HA CYS 33 HA CYS 33 8.006 3.755 -0.446 267 HB2 CYS 33 HB2 CYS 33 8.362 6.671 -0.122 268 HB3 CYS 33 HB3 CYS 33 7.629 5.495 0.995 269 HG CYS 33 HG CYS 33 9.911 4.465 1.830 270 H LEU 34 H LEU 34 9.403 5.439 -3.056 271 HA LEU 34 HA LEU 34 6.804 5.560 -4.424 272 HB2 LEU 34 HB2 LEU 34 8.673 7.834 -3.849 273 HB3 LEU 34 HB3 LEU 34 8.318 7.580 -5.563 274 HG LEU 34 HG LEU 34 5.869 7.394 -4.721 275 HD11 LEU 34 HD11 LEU 34 6.956 9.380 -2.704 276 HD12 LEU 34 HD12 LEU 34 6.478 7.734 -2.285 277 HD13 LEU 34 HD13 LEU 34 5.267 8.872 -2.901 278 HD21 LEU 34 HD21 LEU 34 7.306 10.051 -4.996 279 HD22 LEU 34 HD22 LEU 34 5.552 9.797 -5.205 280 HD23 LEU 34 HD23 LEU 34 6.699 9.046 -6.328 281 H ASP 35 H ASP 35 6.780 5.371 -6.479 282 HA ASP 35 HA ASP 35 9.212 4.982 -8.155 283 HB2 ASP 35 HB2 ASP 35 7.747 3.141 -8.553 284 HB3 ASP 35 HB3 ASP 35 6.364 4.153 -8.283 285 H ILE 36 H ILE 36 9.422 6.359 -9.677 286 HA ILE 36 HA ILE 36 7.391 8.117 -10.693 287 HB ILE 36 HB ILE 36 10.048 9.296 -10.052 288 HG12 ILE 36 HG12 ILE 36 7.477 9.771 -8.517 289 HG13 ILE 36 HG13 ILE 36 8.980 9.081 -7.913 290 HG21 ILE 36 HG21 ILE 36 9.029 11.450 -10.839 291 HG22 ILE 36 HG22 ILE 36 8.895 10.233 -12.079 292 HG23 ILE 36 HG23 ILE 36 7.483 10.621 -11.088 293 HD11 ILE 36 HD11 ILE 36 8.699 11.313 -7.146 294 HD12 ILE 36 HD12 ILE 36 10.120 11.254 -8.245 295 HD13 ILE 36 HD13 ILE 36 8.566 11.971 -8.766 296 H CYS 37 H CYS 37 7.506 7.833 -12.641 297 HA CYS 37 HA CYS 37 10.001 7.444 -14.294 298 HB2 CYS 37 HB2 CYS 37 7.414 5.919 -14.374 299 HB3 CYS 37 HB3 CYS 37 8.550 5.893 -15.727 300 HG CYS 37 HG CYS 37 8.932 4.855 -12.593 301 H GLY 38 H GLY 38 9.263 7.508 -16.725 302 HA2 GLY 38 HA2 GLY 38 7.358 9.709 -17.237 303 HA3 GLY 38 HA3 GLY 38 8.955 9.757 -18.008 304 H GLU 39 H GLU 39 6.710 9.798 -19.501 305 HA GLU 39 HA GLU 39 6.640 7.220 -21.014 306 HB2 GLU 39 HB2 GLU 39 4.468 9.142 -20.227 307 HB3 GLU 39 HB3 GLU 39 4.243 7.937 -21.497 308 HG2 GLU 39 HG2 GLU 39 5.066 7.134 -18.684 309 HG3 GLU 39 HG3 GLU 39 3.378 7.461 -19.083 310 H GLY 40 H GLY 40 8.343 8.286 -21.991 311 HA2 GLY 40 HA2 GLY 40 8.230 10.943 -23.085 312 HA3 GLY 40 HA3 GLY 40 9.551 9.827 -23.344 313 H THR 41 H THR 41 7.005 11.453 -24.769 314 HA THR 41 HA THR 41 5.966 9.561 -26.586 315 HB THR 41 HB THR 41 4.723 11.297 -27.569 316 HG1 THR 41 HG1 THR 41 5.277 13.343 -27.632 317 HG21 THR 41 HG21 THR 41 4.160 10.983 -25.171 318 HG22 THR 41 HG22 THR 41 3.773 12.595 -25.812 319 HG23 THR 41 HG23 THR 41 5.202 12.376 -24.791 320 HA PRO 42 HA PRO 42 8.789 9.924 -30.115 321 HB2 PRO 42 HB2 PRO 42 7.278 8.897 -32.120 322 HB3 PRO 42 HB3 PRO 42 7.873 7.888 -30.768 323 HG2 PRO 42 HG2 PRO 42 5.137 9.169 -31.055 324 HG3 PRO 42 HG3 PRO 42 5.527 7.468 -30.641 325 HD2 PRO 42 HD2 PRO 42 4.981 9.366 -28.739 326 HD3 PRO 42 HD3 PRO 42 6.145 8.036 -28.451 327 H GLN 43 H GLN 43 8.388 12.217 -29.490 328 HA GLN 43 HA GLN 43 8.281 14.399 -29.965 329 HB2 GLN 43 HB2 GLN 43 9.450 13.545 -31.998 330 HB3 GLN 43 HB3 GLN 43 7.917 13.612 -32.870 331 HG2 GLN 43 HG2 GLN 43 7.824 16.041 -32.601 332 HG3 GLN 43 HG3 GLN 43 9.227 16.011 -31.518 333 HE21 GLN 43 HE21 GLN 43 10.863 17.120 -32.748 334 HE22 GLN 43 HE22 GLN 43 11.228 16.547 -34.388 335 H VAL 44 H VAL 44 5.532 12.665 -31.239 336 HA VAL 44 HA VAL 44 3.667 14.749 -31.608 337 HB VAL 44 HB VAL 44 3.412 12.418 -32.341 338 HG11 VAL 44 HG11 VAL 44 2.638 10.641 -30.890 339 HG12 VAL 44 HG12 VAL 44 4.185 11.247 -30.277 340 HG13 VAL 44 HG13 VAL 44 2.671 11.708 -29.473 341 HG21 VAL 44 HG21 VAL 44 1.048 12.197 -32.061 342 HG22 VAL 44 HG22 VAL 44 1.054 13.185 -30.595 343 HG23 VAL 44 HG23 VAL 44 1.424 13.923 -32.179 344 H THR 45 H THR 45 2.127 15.685 -30.359 345 HA THR 45 HA THR 45 1.453 16.909 -28.462 346 HB THR 45 HB THR 45 0.142 15.378 -26.947 347 HG1 THR 45 HG1 THR 45 1.532 13.584 -27.229 348 HG21 THR 45 HG21 THR 45 -1.448 14.692 -28.668 349 HG22 THR 45 HG22 THR 45 -0.248 14.986 -29.937 350 HG23 THR 45 HG23 THR 45 -0.864 16.341 -28.966 351 H GLY 46 H GLY 46 4.007 17.056 -28.137 352 HA2 GLY 46 HA2 GLY 46 5.334 15.771 -26.076 353 HA3 GLY 46 HA3 GLY 46 5.799 17.313 -26.821 354 H PHE 47 H PHE 47 2.905 17.027 -24.946 355 HA PHE 47 HA PHE 47 3.407 19.279 -23.220 356 HB2 PHE 47 HB2 PHE 47 1.469 17.004 -22.815 357 HB3 PHE 47 HB3 PHE 47 1.294 18.698 -22.338 358 HD1 PHE 47 HD2 PHE 47 1.948 20.047 -25.014 359 HD2 PHE 47 HD1 PHE 47 -0.403 16.550 -24.096 360 HE1 PHE 47 HE2 PHE 47 0.587 20.427 -27.043 361 HE2 PHE 47 HE1 PHE 47 -1.786 16.954 -26.122 362 HZ PHE 47 HZ PHE 47 -1.292 18.898 -27.595 363 H PHE 48 H PHE 48 4.168 19.334 -21.121 364 HA PHE 48 HA PHE 48 5.450 16.923 -19.977 365 HB2 PHE 48 HB2 PHE 48 6.602 19.185 -20.245 366 HB3 PHE 48 HB3 PHE 48 5.628 19.721 -18.878 367 HD1 PHE 48 HD1 PHE 48 5.765 18.231 -16.681 368 HD2 PHE 48 HD2 PHE 48 8.700 18.218 -19.842 369 HE1 PHE 48 HE1 PHE 48 7.482 17.414 -15.094 370 HE2 PHE 48 HE2 PHE 48 10.402 17.402 -18.259 371 HZ PHE 48 HZ PHE 48 9.805 17.001 -15.869 372 H GLU 49 H GLU 49 3.680 15.710 -19.208 373 HA GLU 49 HA GLU 49 1.754 17.034 -17.376 374 HB2 GLU 49 HB2 GLU 49 1.454 14.519 -19.033 375 HB3 GLU 49 HB3 GLU 49 0.214 15.496 -18.291 376 HG2 GLU 49 HG2 GLU 49 1.921 16.431 -20.619 377 HG3 GLU 49 HG3 GLU 49 0.423 15.565 -20.804 378 H VAL 50 H VAL 50 1.771 16.361 -15.196 379 HA VAL 50 HA VAL 50 3.284 13.831 -14.604 380 HB VAL 50 HB VAL 50 2.930 16.171 -12.733 381 HG11 VAL 50 HG11 VAL 50 4.675 13.695 -12.557 382 HG12 VAL 50 HG12 VAL 50 4.757 15.085 -11.457 383 HG13 VAL 50 HG13 VAL 50 3.295 14.100 -11.520 384 HG21 VAL 50 HG21 VAL 50 4.419 16.763 -14.706 385 HG22 VAL 50 HG22 VAL 50 5.263 16.746 -13.147 386 HG23 VAL 50 HG23 VAL 50 5.438 15.393 -14.279 387 H THR 51 H THR 51 2.136 12.153 -13.713 388 HA THR 51 HA THR 51 -0.395 12.685 -12.341 389 HB THR 51 HB THR 51 -0.739 10.295 -13.254 390 HG1 THR 51 HG1 THR 51 0.968 11.096 -15.286 391 HG21 THR 51 HG21 THR 51 -1.571 11.101 -15.468 392 HG22 THR 51 HG22 THR 51 -0.732 12.646 -15.187 393 HG23 THR 51 HG23 THR 51 -2.072 12.139 -14.130 394 H VAL 52 H VAL 52 -0.660 11.697 -10.354 395 HA VAL 52 HA VAL 52 1.239 9.586 -9.464 396 HB VAL 52 HB VAL 52 1.772 11.522 -8.255 397 HG11 VAL 52 HG11 VAL 52 -1.146 11.911 -7.495 398 HG12 VAL 52 HG12 VAL 52 0.234 12.836 -6.879 399 HG13 VAL 52 HG13 VAL 52 -0.196 12.941 -8.587 400 HG21 VAL 52 HG21 VAL 52 1.613 9.414 -6.939 401 HG22 VAL 52 HG22 VAL 52 1.294 10.830 -5.939 402 HG23 VAL 52 HG23 VAL 52 -0.050 9.836 -6.480 403 H ALA 53 H ALA 53 0.349 7.732 -9.112 404 HA ALA 53 HA ALA 53 -1.162 6.064 -9.260 405 HB1 ALA 53 HB1 ALA 53 -2.596 7.736 -7.170 406 HB2 ALA 53 HB2 ALA 53 -2.853 6.006 -7.472 407 HB3 ALA 53 HB3 ALA 53 -1.284 6.569 -6.891 408 H GLY 54 H GLY 54 -1.683 8.372 -11.111 409 HA2 GLY 54 HA2 GLY 54 -3.144 8.353 -13.036 410 HA3 GLY 54 HA3 GLY 54 -4.446 7.728 -12.022 411 H LYS 55 H LYS 55 -3.292 10.081 -10.079 412 HA LYS 55 HA LYS 55 -5.206 12.159 -10.958 413 HB2 LYS 55 HB2 LYS 55 -3.362 12.013 -8.612 414 HB3 LYS 55 HB3 LYS 55 -4.521 13.296 -8.881 415 HG2 LYS 55 HG2 LYS 55 -5.241 10.354 -8.432 416 HG3 LYS 55 HG3 LYS 55 -5.222 11.617 -7.191 417 HD2 LYS 55 HD2 LYS 55 -6.928 12.903 -8.486 418 HD3 LYS 55 HD3 LYS 55 -6.990 11.585 -9.679 419 HE2 LYS 55 HE2 LYS 55 -7.678 10.003 -7.892 420 HE3 LYS 55 HE3 LYS 55 -7.636 11.318 -6.708 421 HZ1 LYS 55 HZ1 LYS 55 -9.367 12.440 -7.969 422 HZ2 LYS 55 HZ2 LYS 55 -9.887 10.929 -7.574 423 HZ3 LYS 55 HZ3 LYS 55 -9.382 11.253 -9.105 424 H LEU 56 H LEU 56 -4.494 13.485 -12.605 425 HA LEU 56 HA LEU 56 -1.702 14.265 -12.897 426 HB2 LEU 56 HB2 LEU 56 -3.094 14.267 -14.770 427 HB3 LEU 56 HB3 LEU 56 -4.252 15.414 -14.068 428 HG LEU 56 HG LEU 56 -1.350 16.227 -14.332 429 HD11 LEU 56 HD11 LEU 56 -1.800 15.178 -16.499 430 HD12 LEU 56 HD12 LEU 56 -1.686 16.933 -16.665 431 HD13 LEU 56 HD13 LEU 56 -3.284 16.147 -16.681 432 HD21 LEU 56 HD21 LEU 56 -3.082 17.772 -13.340 433 HD22 LEU 56 HD22 LEU 56 -3.950 17.730 -14.881 434 HD23 LEU 56 HD23 LEU 56 -2.308 18.422 -14.786 435 H VAL 57 H VAL 57 -0.645 15.750 -12.042 436 HA VAL 57 HA VAL 57 -1.950 17.756 -10.187 437 HB VAL 57 HB VAL 57 0.706 16.323 -9.826 438 HG11 VAL 57 HG11 VAL 57 -0.531 18.555 -8.153 439 HG12 VAL 57 HG12 VAL 57 0.864 17.562 -7.669 440 HG13 VAL 57 HG13 VAL 57 0.995 18.636 -9.063 441 HG21 VAL 57 HG21 VAL 57 -0.350 15.529 -7.720 442 HG22 VAL 57 HG22 VAL 57 -1.852 16.375 -8.154 443 HG23 VAL 57 HG23 VAL 57 -1.282 15.008 -9.128 444 H HIS 58 H HIS 58 0.315 17.188 -12.788 445 HA HIS 58 HA HIS 58 0.806 20.146 -12.974 446 HB2 HIS 58 HB2 HIS 58 2.708 18.651 -11.987 447 HB3 HIS 58 HB3 HIS 58 2.826 18.054 -13.654 448 HD1 HIS 58 HD1 HIS 58 2.662 21.778 -12.499 449 HD2 HIS 58 HD2 HIS 58 4.889 18.991 -14.743 450 HE1 HIS 58 HE1 HIS 58 4.579 23.056 -13.515 451 H SER 59 H SER 59 1.065 20.911 -15.032 452 HA SER 59 HA SER 59 1.056 19.197 -17.401 453 HB2 SER 59 HB2 SER 59 -1.369 19.322 -16.648 454 HB3 SER 59 HB3 SER 59 -1.258 21.018 -16.771 455 HG SER 59 HG SER 59 -0.607 19.408 -19.020 456 H LYS 60 H LYS 60 2.701 20.328 -18.474 457 HA LYS 60 HA LYS 60 2.791 23.220 -18.459 458 HB2 LYS 60 HB2 LYS 60 4.155 21.019 -19.959 459 HB3 LYS 60 HB3 LYS 60 4.112 22.561 -20.796 460 HG2 LYS 60 HG2 LYS 60 4.984 22.460 -17.900 461 HG3 LYS 60 HG3 LYS 60 6.089 21.975 -19.180 462 HD2 LYS 60 HD2 LYS 60 6.477 24.284 -18.527 463 HD3 LYS 60 HD3 LYS 60 6.010 24.145 -20.234 464 HE2 LYS 60 HE2 LYS 60 3.732 24.889 -19.700 465 HE3 LYS 60 HE3 LYS 60 4.126 24.917 -17.975 466 HZ1 LYS 60 HZ1 LYS 60 5.759 26.673 -18.462 467 HZ2 LYS 60 HZ2 LYS 60 4.256 27.131 -18.952 468 HZ3 LYS 60 HZ3 LYS 60 5.363 26.636 -20.056 469 H LYS 61 H LYS 61 0.974 20.997 -20.522 470 HA LYS 61 HA LYS 61 0.317 23.169 -22.399 471 HB2 LYS 61 HB2 LYS 61 -0.946 21.655 -23.650 472 HB3 LYS 61 HB3 LYS 61 0.479 20.799 -23.064 473 HG2 LYS 61 HG2 LYS 61 -1.010 19.178 -22.564 474 HG3 LYS 61 HG3 LYS 61 -1.254 20.118 -21.099 475 HD2 LYS 61 HD2 LYS 61 -3.184 21.288 -22.349 476 HD3 LYS 61 HD3 LYS 61 -2.964 20.079 -23.614 477 HE2 LYS 61 HE2 LYS 61 -3.693 19.600 -20.692 478 HE3 LYS 61 HE3 LYS 61 -4.758 19.398 -22.096 479 HZ1 LYS 61 HZ1 LYS 61 -3.203 17.602 -22.828 480 HZ2 LYS 61 HZ2 LYS 61 -3.872 17.265 -21.348 481 HZ3 LYS 61 HZ3 LYS 61 -2.345 17.795 -21.443 482 H ARG 62 H ARG 62 -1.382 21.961 -19.450 483 HA ARG 62 HA ARG 62 -3.653 23.693 -20.019 484 HB2 ARG 62 HB2 ARG 62 -4.541 22.927 -18.118 485 HB3 ARG 62 HB3 ARG 62 -3.413 21.617 -18.430 486 HG2 ARG 62 HG2 ARG 62 -3.167 21.892 -16.195 487 HG3 ARG 62 HG3 ARG 62 -1.834 22.908 -16.809 488 HD2 ARG 62 HD2 ARG 62 -2.839 24.847 -16.236 489 HD3 ARG 62 HD3 ARG 62 -4.463 24.147 -16.038 490 HE ARG 62 HE ARG 62 -2.056 23.833 -14.269 491 HH11 ARG 62 HH11 ARG 62 -5.526 23.557 -14.533 492 HH12 ARG 62 HH12 ARG 62 -5.723 23.078 -12.859 493 HH21 ARG 62 HH21 ARG 62 -2.355 23.205 -12.231 494 HH22 ARG 62 HH22 ARG 62 -3.926 22.831 -11.539 495 H GLY 63 H GLY 63 -0.498 24.336 -18.898 496 HA2 GLY 63 HA2 GLY 63 0.359 26.532 -18.749 497 HA3 GLY 63 HA3 GLY 63 -1.251 27.191 -18.392 498 H ASP 64 H ASP 64 0.121 24.313 -16.810 499 HA ASP 64 HA ASP 64 -0.161 25.472 -14.192 500 HB2 ASP 64 HB2 ASP 64 -0.165 22.979 -15.047 501 HB3 ASP 64 HB3 ASP 64 1.593 23.087 -14.815 502 H GLY 65 H GLY 65 2.599 25.240 -16.397 503 HA2 GLY 65 HA2 GLY 65 4.422 26.919 -16.210 504 HA3 GLY 65 HA3 GLY 65 4.257 26.766 -14.466 505 H TYR 66 H TYR 66 6.500 26.335 -14.596 506 HA TYR 66 HA TYR 66 6.871 23.407 -14.363 507 HB2 TYR 66 HB2 TYR 66 8.889 25.513 -15.189 508 HB3 TYR 66 HB3 TYR 66 9.399 24.088 -14.367 509 HD1 TYR 66 HD2 TYR 66 7.839 21.861 -15.422 510 HD2 TYR 66 HD1 TYR 66 9.620 25.240 -17.461 511 HE1 TYR 66 HE2 TYR 66 7.901 20.571 -17.486 512 HE2 TYR 66 HE1 TYR 66 9.689 23.887 -19.576 513 HH TYR 66 HH TYR 66 8.261 20.624 -19.781 514 H VAL 67 H VAL 67 9.135 23.788 -12.667 515 HA VAL 67 HA VAL 67 7.838 24.755 -10.174 516 HB VAL 67 HB VAL 67 9.823 24.326 -9.007 517 HG11 VAL 67 HG11 VAL 67 7.913 22.794 -8.959 518 HG12 VAL 67 HG12 VAL 67 8.521 21.921 -10.379 519 HG13 VAL 67 HG13 VAL 67 9.409 21.850 -8.846 520 HG21 VAL 67 HG21 VAL 67 11.501 22.653 -9.817 521 HG22 VAL 67 HG22 VAL 67 10.722 22.615 -11.413 522 HG23 VAL 67 HG23 VAL 67 11.552 24.081 -10.849 523 H ASP 68 H ASP 68 7.535 26.601 -11.144 524 HA ASP 68 HA ASP 68 9.530 28.548 -11.872 525 HB2 ASP 68 HB2 ASP 68 6.606 28.729 -11.307 526 HB3 ASP 68 HB3 ASP 68 7.575 29.964 -12.073 527 H THR 69 H THR 69 8.285 27.550 -8.873 528 HA THR 69 HA THR 69 9.964 29.438 -7.465 529 HB THR 69 HB THR 69 7.312 29.344 -6.212 530 HG1 THR 69 HG1 THR 69 7.721 30.802 -8.579 531 HG21 THR 69 HG21 THR 69 7.764 31.724 -5.743 532 HG22 THR 69 HG22 THR 69 9.203 31.652 -6.779 533 HG23 THR 69 HG23 THR 69 9.139 30.702 -5.274 534 H GLU 70 H GLU 70 10.173 28.801 -5.198 535 HA GLU 70 HA GLU 70 10.111 25.980 -4.699 536 HB2 GLU 70 HB2 GLU 70 10.429 28.438 -2.943 537 HB3 GLU 70 HB3 GLU 70 10.341 26.834 -2.216 538 HG2 GLU 70 HG2 GLU 70 12.357 27.645 -4.356 539 HG3 GLU 70 HG3 GLU 70 12.672 27.666 -2.619 540 H SER 71 H SER 71 7.762 28.497 -3.908 541 HA SER 71 HA SER 71 6.053 26.767 -2.370 542 HB2 SER 71 HB2 SER 71 5.991 29.381 -2.773 543 HB3 SER 71 HB3 SER 71 4.808 28.956 -4.021 544 HG SER 71 HG SER 71 3.661 27.767 -2.409 545 H LYS 72 H LYS 72 6.414 27.159 -5.814 546 HA LYS 72 HA LYS 72 4.104 25.596 -6.582 547 HB2 LYS 72 HB2 LYS 72 5.546 27.152 -8.121 548 HB3 LYS 72 HB3 LYS 72 6.631 25.761 -8.240 549 HG2 LYS 72 HG2 LYS 72 5.309 25.142 -9.977 550 HG3 LYS 72 HG3 LYS 72 4.274 24.480 -8.734 551 HD2 LYS 72 HD2 LYS 72 2.813 25.760 -10.109 552 HD3 LYS 72 HD3 LYS 72 3.087 26.767 -8.683 553 HE2 LYS 72 HE2 LYS 72 3.424 28.310 -10.398 554 HE3 LYS 72 HE3 LYS 72 5.075 27.786 -10.071 555 HZ1 LYS 72 HZ1 LYS 72 4.717 27.694 -12.448 556 HZ2 LYS 72 HZ2 LYS 72 3.366 26.766 -12.292 557 HZ3 LYS 72 HZ3 LYS 72 4.857 26.180 -11.920 558 H PHE 73 H PHE 73 7.561 24.832 -6.194 559 HA PHE 73 HA PHE 73 7.317 22.030 -6.754 560 HB2 PHE 73 HB2 PHE 73 9.468 23.219 -6.777 561 HB3 PHE 73 HB3 PHE 73 9.315 23.592 -5.069 562 HD1 PHE 73 HD2 PHE 73 8.804 20.368 -7.003 563 HD2 PHE 73 HD1 PHE 73 10.980 22.445 -3.895 564 HE1 PHE 73 HE2 PHE 73 9.886 18.258 -6.346 565 HE2 PHE 73 HE1 PHE 73 12.036 20.321 -3.227 566 HZ PHE 73 HZ PHE 73 11.442 18.206 -4.399 567 H ARG 74 H ARG 74 7.383 23.722 -3.657 568 HA ARG 74 HA ARG 74 7.045 21.523 -1.976 569 HB2 ARG 74 HB2 ARG 74 7.662 24.021 -1.440 570 HB3 ARG 74 HB3 ARG 74 5.914 24.240 -1.232 571 HG2 ARG 74 HG2 ARG 74 6.061 22.248 0.449 572 HG3 ARG 74 HG3 ARG 74 7.810 22.380 0.264 573 HD2 ARG 74 HD2 ARG 74 7.496 23.671 2.133 574 HD3 ARG 74 HD3 ARG 74 7.424 24.914 0.878 575 HE ARG 74 HE ARG 74 4.841 23.705 1.638 576 HH11 ARG 74 HH11 ARG 74 7.013 26.319 2.378 577 HH12 ARG 74 HH12 ARG 74 5.844 27.179 3.349 578 HH21 ARG 74 HH21 ARG 74 3.372 24.823 2.917 579 HH22 ARG 74 HH22 ARG 74 3.810 26.354 3.610 580 H LYS 75 H LYS 75 4.536 23.161 -3.810 581 HA LYS 75 HA LYS 75 2.233 22.210 -2.461 582 HB2 LYS 75 HB2 LYS 75 2.510 23.854 -4.523 583 HB3 LYS 75 HB3 LYS 75 2.578 22.382 -5.496 584 HG2 LYS 75 HG2 LYS 75 0.339 23.059 -5.604 585 HG3 LYS 75 HG3 LYS 75 0.321 21.729 -4.430 586 HD2 LYS 75 HD2 LYS 75 0.491 23.430 -2.587 587 HD3 LYS 75 HD3 LYS 75 0.436 24.712 -3.797 588 HE2 LYS 75 HE2 LYS 75 -1.760 22.628 -3.324 589 HE3 LYS 75 HE3 LYS 75 -1.770 24.266 -2.657 590 HZ1 LYS 75 HZ1 LYS 75 -1.757 25.119 -4.943 591 HZ2 LYS 75 HZ2 LYS 75 -3.082 24.185 -4.673 592 HZ3 LYS 75 HZ3 LYS 75 -1.827 23.587 -5.546 593 H LEU 76 H LEU 76 4.321 20.790 -4.827 594 HA LEU 76 HA LEU 76 2.725 18.301 -5.062 595 HB2 LEU 76 HB2 LEU 76 4.029 19.457 -6.936 596 HB3 LEU 76 HB3 LEU 76 5.518 18.875 -6.200 597 HG LEU 76 HG LEU 76 3.312 16.893 -6.851 598 HD11 LEU 76 HD11 LEU 76 5.322 17.983 -8.869 599 HD12 LEU 76 HD12 LEU 76 3.564 18.221 -8.907 600 HD13 LEU 76 HD13 LEU 76 4.233 16.597 -9.113 601 HD21 LEU 76 HD21 LEU 76 5.369 16.103 -5.652 602 HD22 LEU 76 HD22 LEU 76 6.359 16.704 -6.990 603 HD23 LEU 76 HD23 LEU 76 5.208 15.376 -7.251 604 H VAL 77 H VAL 77 5.795 19.254 -3.761 605 HA VAL 77 HA VAL 77 6.549 16.741 -2.579 606 HB VAL 77 HB VAL 77 7.027 19.511 -1.402 607 HG11 VAL 77 HG11 VAL 77 8.384 16.871 -0.767 608 HG12 VAL 77 HG12 VAL 77 8.965 18.453 -0.231 609 HG13 VAL 77 HG13 VAL 77 7.413 17.851 0.348 610 HG21 VAL 77 HG21 VAL 77 8.873 17.756 -3.079 611 HG22 VAL 77 HG22 VAL 77 8.035 19.197 -3.678 612 HG23 VAL 77 HG23 VAL 77 9.253 19.356 -2.413 613 H THR 78 H THR 78 4.468 19.267 -1.223 614 HA THR 78 HA THR 78 3.937 17.842 1.194 615 HB THR 78 HB THR 78 2.166 19.924 -0.170 616 HG1 THR 78 HG1 THR 78 4.178 20.738 0.159 617 HG21 THR 78 HG21 THR 78 2.405 19.127 2.768 618 HG22 THR 78 HG22 THR 78 0.997 18.834 1.721 619 HG23 THR 78 HG23 THR 78 1.451 20.491 2.148 620 H ALA 79 H ALA 79 2.415 17.714 -1.959 621 HA ALA 79 HA ALA 79 0.170 16.192 -0.841 622 HB1 ALA 79 HB1 ALA 79 0.910 16.784 -3.756 623 HB2 ALA 79 HB2 ALA 79 -0.643 16.123 -3.197 624 HB3 ALA 79 HB3 ALA 79 -0.177 17.780 -2.758 625 H ILE 80 H ILE 80 3.179 15.465 -2.286 626 HA ILE 80 HA ILE 80 2.517 12.601 -2.701 627 HB ILE 80 HB ILE 80 5.149 14.104 -2.803 628 HG12 ILE 80 HG12 ILE 80 3.621 14.639 -4.683 629 HG13 ILE 80 HG13 ILE 80 5.069 13.784 -5.193 630 HG21 ILE 80 HG21 ILE 80 6.033 11.970 -3.838 631 HG22 ILE 80 HG22 ILE 80 5.620 11.807 -2.134 632 HG23 ILE 80 HG23 ILE 80 4.524 11.164 -3.358 633 HD11 ILE 80 HD11 ILE 80 2.288 12.593 -4.911 634 HD12 ILE 80 HD12 ILE 80 3.093 13.046 -6.420 635 HD13 ILE 80 HD13 ILE 80 3.735 11.705 -5.463 636 H LYS 81 H LYS 81 4.016 14.701 -0.232 637 HA LYS 81 HA LYS 81 4.965 12.530 1.425 638 HB2 LYS 81 HB2 LYS 81 5.479 15.080 1.550 639 HB3 LYS 81 HB3 LYS 81 3.952 15.286 2.379 640 HG2 LYS 81 HG2 LYS 81 4.648 13.958 4.253 641 HG3 LYS 81 HG3 LYS 81 6.094 13.381 3.424 642 HD2 LYS 81 HD2 LYS 81 5.580 16.306 4.082 643 HD3 LYS 81 HD3 LYS 81 6.486 15.227 5.143 644 HE2 LYS 81 HE2 LYS 81 7.291 15.565 2.220 645 HE3 LYS 81 HE3 LYS 81 7.750 16.766 3.403 646 HZ1 LYS 81 HZ1 LYS 81 9.419 15.069 3.016 647 HZ2 LYS 81 HZ2 LYS 81 8.484 13.881 3.547 648 HZ3 LYS 81 HZ3 LYS 81 9.017 15.075 4.585 649 H ALA 82 H ALA 82 2.016 14.326 1.296 650 HA ALA 82 HA ALA 82 0.660 13.001 3.511 651 HB1 ALA 82 HB1 ALA 82 -1.364 14.143 2.644 652 HB2 ALA 82 HB2 ALA 82 0.012 15.263 2.723 653 HB3 ALA 82 HB3 ALA 82 -0.492 14.584 1.159 654 H ALA 83 H ALA 83 0.477 12.514 -0.057 655 HA ALA 83 HA ALA 83 -1.329 10.312 0.068 656 HB1 ALA 83 HB1 ALA 83 0.829 10.927 -1.997 657 HB2 ALA 83 HB2 ALA 83 -0.558 9.839 -2.225 658 HB3 ALA 83 HB3 ALA 83 -0.826 11.576 -2.007 659 H LEU 84 H LEU 84 2.134 10.495 0.359 660 HA LEU 84 HA LEU 84 2.658 7.693 0.212 661 HB2 LEU 84 HB2 LEU 84 4.335 9.524 -0.057 662 HB3 LEU 84 HB3 LEU 84 4.282 9.861 1.665 663 HG LEU 84 HG LEU 84 6.202 8.566 0.673 664 HD11 LEU 84 HD11 LEU 84 5.740 8.575 3.129 665 HD12 LEU 84 HD12 LEU 84 6.546 7.108 2.556 666 HD13 LEU 84 HD13 LEU 84 4.823 7.063 2.935 667 HD21 LEU 84 HD21 LEU 84 4.232 6.220 0.711 668 HD22 LEU 84 HD22 LEU 84 5.901 6.178 0.222 669 HD23 LEU 84 HD23 LEU 84 4.756 7.070 -0.766 670 H ALA 85 H ALA 85 2.505 9.804 3.010 671 HA ALA 85 HA ALA 85 2.690 7.727 4.957 672 HB1 ALA 85 HB1 ALA 85 3.065 10.136 5.463 673 HB2 ALA 85 HB2 ALA 85 1.329 10.454 5.241 674 HB3 ALA 85 HB3 ALA 85 1.884 9.426 6.582 675 H GLN 86 H GLN 86 0.016 8.538 3.092 676 HA GLN 86 HA GLN 86 -1.983 7.134 4.770 677 HB2 GLN 86 HB2 GLN 86 -2.599 9.116 3.329 678 HB3 GLN 86 HB3 GLN 86 -2.300 8.107 1.905 679 HG2 GLN 86 HG2 GLN 86 -4.012 6.456 2.847 680 HG3 GLN 86 HG3 GLN 86 -4.376 7.649 4.097 681 HE21 GLN 86 HE21 GLN 86 -4.379 10.102 2.471 682 HE22 GLN 86 HE22 GLN 86 -5.738 9.797 1.364 683 H CYS 87 H CYS 87 -0.495 6.688 1.657 684 HA CYS 87 HA CYS 87 -1.400 3.997 1.213 685 HB2 CYS 87 HB2 CYS 87 -0.013 5.955 -0.247 686 HB3 CYS 87 HB3 CYS 87 1.186 4.673 -0.075 687 HG CYS 87 HG CYS 87 -1.973 4.469 -1.111 688 H GLN 88 H GLN 88 1.315 5.151 3.118 689 HA GLN 88 HA GLN 88 2.508 2.558 3.538 690 HB2 GLN 88 HB2 GLN 88 3.661 4.638 4.154 691 HB3 GLN 88 HB3 GLN 88 2.395 5.027 5.339 692 HG2 GLN 88 HG2 GLN 88 2.993 3.050 6.667 693 HG3 GLN 88 HG3 GLN 88 4.229 2.589 5.474 694 HE21 GLN 88 HE21 GLN 88 5.009 2.784 8.144 695 HE22 GLN 88 HE22 GLN 88 5.890 4.318 8.302 Start of MODEL 8 1 H1 MET 1 H1 MET 1 0.519 1.486 0.602 2 H2 MET 1 H2 MET 1 1.239 0.124 1.207 3 H3 MET 1 H3 MET 1 -0.163 0.009 0.377 4 HA MET 1 HA MET 1 1.963 -0.605 -0.839 5 HB2 MET 1 HB2 MET 1 1.118 0.267 -2.975 6 HB3 MET 1 HB3 MET 1 -0.153 -0.465 -2.017 7 HG2 MET 1 HG2 MET 1 -0.881 1.830 -1.290 8 HG3 MET 1 HG3 MET 1 0.368 2.514 -2.324 9 HE1 MET 1 HE1 MET 1 -2.430 -0.318 -2.675 10 HE2 MET 1 HE2 MET 1 -3.192 1.140 -2.006 11 HE3 MET 1 HE3 MET 1 -3.612 0.591 -3.644 12 H ALA 2 H ALA 2 3.645 0.362 -2.274 13 HA ALA 2 HA ALA 2 4.693 2.988 -1.493 14 HB1 ALA 2 HB1 ALA 2 5.385 1.053 -3.763 15 HB2 ALA 2 HB2 ALA 2 6.223 2.565 -3.443 16 HB3 ALA 2 HB3 ALA 2 6.290 1.276 -2.245 17 H LEU 3 H LEU 3 5.050 4.555 -3.435 18 HA LEU 3 HA LEU 3 2.468 4.850 -4.833 19 HB2 LEU 3 HB2 LEU 3 3.633 6.517 -2.945 20 HB3 LEU 3 HB3 LEU 3 4.165 7.244 -4.430 21 HG LEU 3 HG LEU 3 2.126 8.360 -4.016 22 HD11 LEU 3 HD11 LEU 3 0.270 7.606 -5.334 23 HD12 LEU 3 HD12 LEU 3 0.777 5.933 -5.288 24 HD13 LEU 3 HD13 LEU 3 1.734 7.101 -6.218 25 HD21 LEU 3 HD21 LEU 3 1.635 7.150 -1.950 26 HD22 LEU 3 HD22 LEU 3 1.030 5.764 -2.879 27 HD23 LEU 3 HD23 LEU 3 0.160 7.321 -2.914 28 H ALA 4 H ALA 4 2.512 4.519 -6.851 29 HA ALA 4 HA ALA 4 4.887 4.617 -8.559 30 HB1 ALA 4 HB1 ALA 4 1.957 3.973 -9.120 31 HB2 ALA 4 HB2 ALA 4 3.289 3.755 -10.268 32 HB3 ALA 4 HB3 ALA 4 3.259 2.811 -8.772 33 H VAL 5 H VAL 5 5.627 6.668 -9.147 34 HA VAL 5 HA VAL 5 3.649 8.556 -10.290 35 HB VAL 5 HB VAL 5 6.393 9.306 -9.394 36 HG11 VAL 5 HG11 VAL 5 5.363 10.955 -10.892 37 HG12 VAL 5 HG12 VAL 5 3.945 11.038 -9.819 38 HG13 VAL 5 HG13 VAL 5 5.534 11.578 -9.254 39 HG21 VAL 5 HG21 VAL 5 3.803 9.521 -7.829 40 HG22 VAL 5 HG22 VAL 5 5.175 8.492 -7.397 41 HG23 VAL 5 HG23 VAL 5 5.344 10.247 -7.335 42 H ARG 6 H ARG 6 4.107 9.582 -12.160 43 HA ARG 6 HA ARG 6 6.406 8.736 -13.856 44 HB2 ARG 6 HB2 ARG 6 3.527 8.340 -14.724 45 HB3 ARG 6 HB3 ARG 6 4.737 8.820 -15.909 46 HG2 ARG 6 HG2 ARG 6 4.830 6.555 -16.159 47 HG3 ARG 6 HG3 ARG 6 6.162 6.841 -15.028 48 HD2 ARG 6 HD2 ARG 6 4.316 6.468 -13.202 49 HD3 ARG 6 HD3 ARG 6 3.382 5.776 -14.519 50 HE ARG 6 HE ARG 6 5.246 4.102 -14.808 51 HH11 ARG 6 HH11 ARG 6 5.278 5.705 -11.676 52 HH12 ARG 6 HH12 ARG 6 5.838 4.218 -10.945 53 HH21 ARG 6 HH21 ARG 6 6.279 2.411 -13.594 54 HH22 ARG 6 HH22 ARG 6 6.478 2.741 -11.882 55 H VAL 7 H VAL 7 6.752 10.044 -15.650 56 HA VAL 7 HA VAL 7 5.546 12.753 -15.774 57 HB VAL 7 HB VAL 7 8.564 12.352 -15.899 58 HG11 VAL 7 HG11 VAL 7 6.797 14.847 -15.999 59 HG12 VAL 7 HG12 VAL 7 8.578 14.831 -15.984 60 HG13 VAL 7 HG13 VAL 7 7.706 14.167 -17.359 61 HG21 VAL 7 HG21 VAL 7 8.627 13.757 -13.842 62 HG22 VAL 7 HG22 VAL 7 6.864 13.592 -13.709 63 HG23 VAL 7 HG23 VAL 7 7.912 12.164 -13.568 64 H VAL 8 H VAL 8 4.529 12.462 -17.684 65 HA VAL 8 HA VAL 8 5.815 11.105 -19.970 66 HB VAL 8 HB VAL 8 3.393 12.908 -20.114 67 HG11 VAL 8 HG11 VAL 8 2.842 11.578 -22.080 68 HG12 VAL 8 HG12 VAL 8 4.454 12.295 -22.237 69 HG13 VAL 8 HG13 VAL 8 4.280 10.578 -21.854 70 HG21 VAL 8 HG21 VAL 8 1.962 10.897 -19.954 71 HG22 VAL 8 HG22 VAL 8 3.361 9.935 -19.469 72 HG23 VAL 8 HG23 VAL 8 2.787 11.255 -18.429 73 H TYR 9 H TYR 9 7.410 12.183 -21.210 74 HA TYR 9 HA TYR 9 6.789 14.953 -21.887 75 HB2 TYR 9 HB2 TYR 9 8.177 15.286 -19.875 76 HB3 TYR 9 HB3 TYR 9 9.467 14.357 -20.664 77 HD1 TYR 9 HD2 TYR 9 7.274 17.289 -21.479 78 HD2 TYR 9 HD1 TYR 9 11.195 15.604 -21.596 79 HE1 TYR 9 HE2 TYR 9 8.091 19.333 -22.665 80 HE2 TYR 9 HE1 TYR 9 12.064 17.718 -22.660 81 HH TYR 9 HH TYR 9 11.530 19.721 -23.538 82 H SER 10 H SER 10 7.552 15.677 -23.696 83 HA SER 10 HA SER 10 8.839 13.969 -25.718 84 HB2 SER 10 HB2 SER 10 8.476 16.046 -27.121 85 HB3 SER 10 HB3 SER 10 7.012 15.290 -26.459 86 HG SER 10 HG SER 10 8.415 17.516 -25.413 87 H GLY 11 H GLY 11 10.744 13.733 -24.412 88 HA2 GLY 11 HA2 GLY 11 12.534 15.560 -23.423 89 HA3 GLY 11 HA3 GLY 11 12.946 13.935 -23.948 90 H ALA 12 H ALA 12 12.062 16.460 -26.272 91 HA ALA 12 HA ALA 12 14.231 15.820 -27.974 92 HB1 ALA 12 HB1 ALA 12 12.085 16.798 -28.701 93 HB2 ALA 12 HB2 ALA 12 12.501 18.334 -27.904 94 HB3 ALA 12 HB3 ALA 12 13.456 17.757 -29.288 95 H CYS 13 H CYS 13 14.170 18.250 -25.423 96 HA CYS 13 HA CYS 13 17.058 18.520 -25.610 97 HB2 CYS 13 HB2 CYS 13 16.198 20.213 -27.264 98 HB3 CYS 13 HB3 CYS 13 15.361 21.041 -25.929 99 HG CYS 13 HG CYS 13 17.619 22.283 -26.687 100 H GLY 14 H GLY 14 17.894 19.765 -23.777 101 HA2 GLY 14 HA2 GLY 14 18.185 20.353 -21.596 102 HA3 GLY 14 HA3 GLY 14 16.563 21.027 -21.743 103 H TYR 15 H TYR 15 15.619 18.088 -21.977 104 HA TYR 15 HA TYR 15 14.386 18.066 -19.594 105 HB2 TYR 15 HB2 TYR 15 13.754 16.773 -21.615 106 HB3 TYR 15 HB3 TYR 15 15.019 15.599 -21.269 107 HD1 TYR 15 HD2 TYR 15 12.406 17.196 -19.011 108 HD2 TYR 15 HD1 TYR 15 13.888 13.576 -20.851 109 HE1 TYR 15 HE2 TYR 15 10.663 15.852 -17.839 110 HE2 TYR 15 HE1 TYR 15 12.139 12.268 -19.662 111 HH TYR 15 HH TYR 15 10.023 12.523 -18.558 112 H LYS 16 H LYS 16 17.179 15.963 -20.178 113 HA LYS 16 HA LYS 16 16.918 14.286 -18.038 114 HB2 LYS 16 HB2 LYS 16 19.537 15.276 -19.237 115 HB3 LYS 16 HB3 LYS 16 19.418 13.928 -18.085 116 HG2 LYS 16 HG2 LYS 16 17.919 12.708 -19.630 117 HG3 LYS 16 HG3 LYS 16 17.977 14.061 -20.773 118 HD2 LYS 16 HD2 LYS 16 19.433 12.347 -21.571 119 HD3 LYS 16 HD3 LYS 16 20.426 13.718 -21.053 120 HE2 LYS 16 HE2 LYS 16 20.968 12.563 -18.942 121 HE3 LYS 16 HE3 LYS 16 19.872 11.230 -19.362 122 HZ1 LYS 16 HZ1 LYS 16 21.304 10.694 -21.224 123 HZ2 LYS 16 HZ2 LYS 16 22.196 10.706 -19.847 124 HZ3 LYS 16 HZ3 LYS 16 22.306 11.955 -20.908 125 HA PRO 17 HA PRO 17 19.005 16.766 -14.641 126 HB2 PRO 17 HB2 PRO 17 19.469 19.472 -14.884 127 HB3 PRO 17 HB3 PRO 17 20.661 18.222 -15.358 128 HG2 PRO 17 HG2 PRO 17 18.681 19.678 -17.148 129 HG3 PRO 17 HG3 PRO 17 20.441 19.444 -17.408 130 HD2 PRO 17 HD2 PRO 17 18.634 17.819 -18.582 131 HD3 PRO 17 HD3 PRO 17 20.160 17.158 -17.925 132 H LYS 18 H LYS 18 16.535 18.645 -16.582 133 HA LYS 18 HA LYS 18 15.226 19.695 -14.180 134 HB2 LYS 18 HB2 LYS 18 14.726 19.670 -17.095 135 HB3 LYS 18 HB3 LYS 18 13.251 19.583 -16.136 136 HG2 LYS 18 HG2 LYS 18 15.370 21.715 -15.628 137 HG3 LYS 18 HG3 LYS 18 14.118 21.890 -16.856 138 HD2 LYS 18 HD2 LYS 18 12.364 21.550 -15.081 139 HD3 LYS 18 HD3 LYS 18 13.647 21.607 -13.856 140 HE2 LYS 18 HE2 LYS 18 14.245 23.895 -14.527 141 HE3 LYS 18 HE3 LYS 18 13.176 23.797 -15.930 142 HZ1 LYS 18 HZ1 LYS 18 12.273 23.982 -13.089 143 HZ2 LYS 18 HZ2 LYS 18 11.284 23.640 -14.344 144 HZ3 LYS 18 HZ3 LYS 18 12.001 25.045 -14.291 145 H TYR 19 H TYR 19 14.988 16.717 -16.013 146 HA TYR 19 HA TYR 19 12.748 15.585 -14.585 147 HB2 TYR 19 HB2 TYR 19 13.553 14.845 -16.827 148 HB3 TYR 19 HB3 TYR 19 15.045 14.285 -16.127 149 HD1 TYR 19 HD1 TYR 19 11.394 13.844 -15.209 150 HD2 TYR 19 HD2 TYR 19 15.178 11.969 -16.100 151 HE1 TYR 19 HE1 TYR 19 10.435 11.626 -14.634 152 HE2 TYR 19 HE2 TYR 19 14.183 9.736 -15.545 153 HH TYR 19 HH TYR 19 10.819 9.443 -14.455 154 H LEU 20 H LEU 20 16.213 14.815 -14.457 155 HA LEU 20 HA LEU 20 16.104 13.177 -12.132 156 HB2 LEU 20 HB2 LEU 20 18.276 14.715 -13.429 157 HB3 LEU 20 HB3 LEU 20 18.579 14.172 -11.833 158 HG LEU 20 HG LEU 20 17.921 11.813 -12.543 159 HD11 LEU 20 HD11 LEU 20 18.201 11.198 -14.871 160 HD12 LEU 20 HD12 LEU 20 18.509 12.889 -15.325 161 HD13 LEU 20 HD13 LEU 20 16.904 12.395 -14.738 162 HD21 LEU 20 HD21 LEU 20 20.412 13.069 -13.767 163 HD22 LEU 20 HD22 LEU 20 20.173 11.341 -13.402 164 HD23 LEU 20 HD23 LEU 20 20.235 12.516 -12.087 165 H GLN 21 H GLN 21 16.528 16.792 -12.224 166 HA GLN 21 HA GLN 21 17.227 16.892 -9.489 167 HB2 GLN 21 HB2 GLN 21 17.649 18.581 -11.338 168 HB3 GLN 21 HB3 GLN 21 15.965 19.126 -11.183 169 HG2 GLN 21 HG2 GLN 21 17.877 18.973 -8.850 170 HG3 GLN 21 HG3 GLN 21 17.959 20.336 -9.975 171 HE21 GLN 21 HE21 GLN 21 15.795 18.812 -7.526 172 HE22 GLN 21 HE22 GLN 21 14.912 20.329 -7.316 173 H LEU 22 H LEU 22 14.066 17.136 -11.155 174 HA LEU 22 HA LEU 22 12.465 17.466 -8.770 175 HB2 LEU 22 HB2 LEU 22 11.673 17.779 -11.174 176 HB3 LEU 22 HB3 LEU 22 11.785 16.028 -11.372 177 HG LEU 22 HG LEU 22 10.147 15.896 -9.325 178 HD11 LEU 22 HD11 LEU 22 9.496 18.700 -10.324 179 HD12 LEU 22 HD12 LEU 22 10.309 18.367 -8.776 180 HD13 LEU 22 HD13 LEU 22 8.660 17.788 -9.046 181 HD21 LEU 22 HD21 LEU 22 9.509 15.279 -11.606 182 HD22 LEU 22 HD22 LEU 22 9.209 16.986 -12.010 183 HD23 LEU 22 HD23 LEU 22 8.194 16.152 -10.810 184 H LYS 23 H LYS 23 13.614 14.533 -10.584 185 HA LYS 23 HA LYS 23 12.238 12.634 -8.957 186 HB2 LYS 23 HB2 LYS 23 14.268 12.677 -11.162 187 HB3 LYS 23 HB3 LYS 23 14.491 11.422 -9.988 188 HG2 LYS 23 HG2 LYS 23 11.857 11.118 -10.410 189 HG3 LYS 23 HG3 LYS 23 12.310 11.811 -11.977 190 HD2 LYS 23 HD2 LYS 23 12.320 9.366 -12.059 191 HD3 LYS 23 HD3 LYS 23 13.980 9.969 -12.279 192 HE2 LYS 23 HE2 LYS 23 14.583 9.463 -10.031 193 HE3 LYS 23 HE3 LYS 23 12.919 9.426 -9.505 194 HZ1 LYS 23 HZ1 LYS 23 13.612 7.299 -9.456 195 HZ2 LYS 23 HZ2 LYS 23 14.338 7.281 -10.937 196 HZ3 LYS 23 HZ3 LYS 23 12.666 7.330 -10.770 197 H GLU 24 H GLU 24 15.708 13.350 -9.064 198 HA GLU 24 HA GLU 24 16.624 11.896 -6.888 199 HB2 GLU 24 HB2 GLU 24 18.005 13.230 -8.469 200 HB3 GLU 24 HB3 GLU 24 17.434 14.716 -7.724 201 HG2 GLU 24 HG2 GLU 24 18.742 12.732 -5.879 202 HG3 GLU 24 HG3 GLU 24 19.775 13.469 -7.110 203 H LYS 25 H LYS 25 15.144 15.176 -6.640 204 HA LYS 25 HA LYS 25 15.504 15.254 -3.770 205 HB2 LYS 25 HB2 LYS 25 14.872 17.160 -5.711 206 HB3 LYS 25 HB3 LYS 25 13.306 16.855 -4.986 207 HG2 LYS 25 HG2 LYS 25 14.114 18.569 -3.637 208 HG3 LYS 25 HG3 LYS 25 14.620 17.162 -2.700 209 HD2 LYS 25 HD2 LYS 25 16.221 19.211 -4.212 210 HD3 LYS 25 HD3 LYS 25 16.550 18.434 -2.646 211 HE2 LYS 25 HE2 LYS 25 16.965 16.292 -4.040 212 HE3 LYS 25 HE3 LYS 25 16.975 17.321 -5.460 213 HZ1 LYS 25 HZ1 LYS 25 19.079 16.822 -4.709 214 HZ2 LYS 25 HZ2 LYS 25 18.876 17.384 -3.203 215 HZ3 LYS 25 HZ3 LYS 25 18.922 18.448 -4.520 216 H LEU 26 H LEU 26 12.751 14.281 -5.732 217 HA LEU 26 HA LEU 26 10.892 13.850 -3.604 218 HB2 LEU 26 HB2 LEU 26 11.265 13.228 -6.510 219 HB3 LEU 26 HB3 LEU 26 10.333 12.049 -5.643 220 HG LEU 26 HG LEU 26 8.995 13.638 -6.759 221 HD11 LEU 26 HD11 LEU 26 8.697 13.987 -3.745 222 HD12 LEU 26 HD12 LEU 26 8.122 12.608 -4.714 223 HD13 LEU 26 HD13 LEU 26 7.427 14.220 -4.961 224 HD21 LEU 26 HD21 LEU 26 10.139 15.777 -4.919 225 HD22 LEU 26 HD22 LEU 26 8.705 15.990 -5.951 226 HD23 LEU 26 HD23 LEU 26 10.283 15.698 -6.684 227 H GLU 27 H GLU 27 12.959 11.562 -5.341 228 HA GLU 27 HA GLU 27 12.664 9.368 -3.524 229 HB2 GLU 27 HB2 GLU 27 14.489 10.242 -5.745 230 HB3 GLU 27 HB3 GLU 27 15.164 9.039 -4.657 231 HG2 GLU 27 HG2 GLU 27 13.568 7.439 -5.125 232 HG3 GLU 27 HG3 GLU 27 12.371 8.600 -5.671 233 H HIS 28 H HIS 28 15.004 12.087 -3.284 234 HA HIS 28 HA HIS 28 16.300 11.041 -0.948 235 HB2 HIS 28 HB2 HIS 28 17.188 12.928 -2.179 236 HB3 HIS 28 HB3 HIS 28 15.750 13.883 -1.862 237 HD1 HIS 28 HD1 HIS 28 16.705 12.294 1.325 238 HD2 HIS 28 HD2 HIS 28 17.488 15.733 -0.911 239 HE1 HIS 28 HE1 HIS 28 17.856 13.942 2.924 240 H GLU 29 H GLU 29 13.339 12.901 -1.396 241 HA GLU 29 HA GLU 29 12.809 13.614 1.292 242 HB2 GLU 29 HB2 GLU 29 11.598 14.103 -1.116 243 HB3 GLU 29 HB3 GLU 29 10.465 12.930 -0.488 244 HG2 GLU 29 HG2 GLU 29 9.612 15.039 0.079 245 HG3 GLU 29 HG3 GLU 29 10.111 14.220 1.535 246 H PHE 30 H PHE 30 11.762 10.872 -0.580 247 HA PHE 30 HA PHE 30 11.600 9.058 1.733 248 HB2 PHE 30 HB2 PHE 30 9.108 8.493 0.903 249 HB3 PHE 30 HB3 PHE 30 9.533 9.563 2.219 250 HD1 PHE 30 HD1 PHE 30 9.085 9.860 -1.523 251 HD2 PHE 30 HD2 PHE 30 8.478 11.604 2.366 252 HE1 PHE 30 HE1 PHE 30 7.961 11.790 -2.567 253 HE2 PHE 30 HE2 PHE 30 7.373 13.545 1.301 254 HZ PHE 30 HZ PHE 30 7.081 13.646 -1.157 255 HA PRO 31 HA PRO 31 12.792 6.923 -2.164 256 HB2 PRO 31 HB2 PRO 31 14.777 5.319 -1.102 257 HB3 PRO 31 HB3 PRO 31 15.029 6.973 -1.711 258 HG2 PRO 31 HG2 PRO 31 14.682 6.014 1.137 259 HG3 PRO 31 HG3 PRO 31 15.787 7.284 0.524 260 HD2 PRO 31 HD2 PRO 31 13.370 7.778 1.779 261 HD3 PRO 31 HD3 PRO 31 14.096 8.897 0.591 262 H GLY 32 H GLY 32 11.935 5.035 -2.841 263 HA2 GLY 32 HA2 GLY 32 10.929 2.989 -2.906 264 HA3 GLY 32 HA3 GLY 32 11.787 2.601 -1.410 265 H CYS 33 H CYS 33 9.933 5.102 -0.362 266 HA CYS 33 HA CYS 33 7.417 3.655 -0.118 267 HB2 CYS 33 HB2 CYS 33 7.864 6.572 0.447 268 HB3 CYS 33 HB3 CYS 33 6.614 5.492 1.091 269 HG CYS 33 HG CYS 33 8.224 6.146 3.049 270 H LEU 34 H LEU 34 9.101 5.568 -2.386 271 HA LEU 34 HA LEU 34 6.748 6.018 -4.150 272 HB2 LEU 34 HB2 LEU 34 9.152 7.666 -3.404 273 HB3 LEU 34 HB3 LEU 34 8.639 7.682 -5.082 274 HG LEU 34 HG LEU 34 7.997 9.574 -3.570 275 HD11 LEU 34 HD11 LEU 34 7.116 9.399 -5.771 276 HD12 LEU 34 HD12 LEU 34 5.758 9.806 -4.697 277 HD13 LEU 34 HD13 LEU 34 5.979 8.140 -5.283 278 HD21 LEU 34 HD21 LEU 34 5.932 9.442 -2.316 279 HD22 LEU 34 HD22 LEU 34 7.116 8.283 -1.676 280 HD23 LEU 34 HD23 LEU 34 5.784 7.709 -2.701 281 H ASP 35 H ASP 35 7.038 5.597 -6.143 282 HA ASP 35 HA ASP 35 9.654 4.915 -7.414 283 HB2 ASP 35 HB2 ASP 35 8.085 3.019 -7.554 284 HB3 ASP 35 HB3 ASP 35 6.816 4.147 -7.970 285 H ILE 36 H ILE 36 10.052 6.261 -9.053 286 HA ILE 36 HA ILE 36 8.014 7.992 -10.232 287 HB ILE 36 HB ILE 36 10.701 9.132 -9.721 288 HG12 ILE 36 HG12 ILE 36 9.063 10.833 -8.246 289 HG13 ILE 36 HG13 ILE 36 8.454 9.236 -7.815 290 HG21 ILE 36 HG21 ILE 36 8.076 10.341 -10.716 291 HG22 ILE 36 HG22 ILE 36 9.544 11.288 -10.434 292 HG23 ILE 36 HG23 ILE 36 9.534 10.043 -11.682 293 HD11 ILE 36 HD11 ILE 36 10.290 9.907 -6.313 294 HD12 ILE 36 HD12 ILE 36 10.802 8.534 -7.304 295 HD13 ILE 36 HD13 ILE 36 11.377 10.172 -7.710 296 H CYS 37 H CYS 37 8.026 7.381 -11.976 297 HA CYS 37 HA CYS 37 10.271 6.480 -13.783 298 HB2 CYS 37 HB2 CYS 37 7.412 5.691 -13.407 299 HB3 CYS 37 HB3 CYS 37 8.090 5.506 -15.033 300 HG CYS 37 HG CYS 37 9.166 4.249 -12.116 301 H GLY 38 H GLY 38 9.356 6.712 -16.170 302 HA2 GLY 38 HA2 GLY 38 8.286 9.448 -16.650 303 HA3 GLY 38 HA3 GLY 38 9.746 8.936 -17.502 304 H GLU 39 H GLU 39 8.005 9.546 -19.285 305 HA GLU 39 HA GLU 39 7.371 7.164 -20.632 306 HB2 GLU 39 HB2 GLU 39 5.269 8.054 -19.079 307 HB3 GLU 39 HB3 GLU 39 5.076 9.074 -20.504 308 HG2 GLU 39 HG2 GLU 39 5.122 6.034 -20.447 309 HG3 GLU 39 HG3 GLU 39 3.687 7.050 -20.603 310 H GLY 40 H GLY 40 7.191 7.806 -22.791 311 HA2 GLY 40 HA2 GLY 40 7.797 10.598 -23.667 312 HA3 GLY 40 HA3 GLY 40 9.037 9.387 -24.001 313 H THR 41 H THR 41 5.518 9.737 -24.236 314 HA THR 41 HA THR 41 4.869 7.982 -26.144 315 HB THR 41 HB THR 41 3.432 10.595 -26.209 316 HG1 THR 41 HG1 THR 41 3.616 8.919 -23.917 317 HG21 THR 41 HG21 THR 41 2.404 8.723 -27.364 318 HG22 THR 41 HG22 THR 41 1.445 9.141 -25.938 319 HG23 THR 41 HG23 THR 41 2.508 7.722 -25.885 320 HA PRO 42 HA PRO 42 6.473 9.837 -29.929 321 HB2 PRO 42 HB2 PRO 42 5.859 7.897 -31.729 322 HB3 PRO 42 HB3 PRO 42 6.987 7.596 -30.370 323 HG2 PRO 42 HG2 PRO 42 4.024 6.937 -30.509 324 HG3 PRO 42 HG3 PRO 42 5.376 5.853 -30.040 325 HD2 PRO 42 HD2 PRO 42 3.842 7.232 -28.221 326 HD3 PRO 42 HD3 PRO 42 5.564 6.877 -27.914 327 H GLN 43 H GLN 43 5.796 10.366 -32.151 328 HA GLN 43 HA GLN 43 4.609 11.331 -33.779 329 HB2 GLN 43 HB2 GLN 43 3.479 9.115 -33.687 330 HB3 GLN 43 HB3 GLN 43 2.196 9.839 -32.711 331 HG2 GLN 43 HG2 GLN 43 1.579 11.327 -34.557 332 HG3 GLN 43 HG3 GLN 43 2.970 10.780 -35.507 333 HE21 GLN 43 HE21 GLN 43 2.193 9.409 -37.207 334 HE22 GLN 43 HE22 GLN 43 0.910 8.237 -36.856 335 H VAL 44 H VAL 44 3.206 11.890 -30.614 336 HA VAL 44 HA VAL 44 1.814 14.338 -31.340 337 HB VAL 44 HB VAL 44 1.325 12.931 -29.335 338 HG11 VAL 44 HG11 VAL 44 3.822 14.173 -28.097 339 HG12 VAL 44 HG12 VAL 44 2.629 13.139 -27.295 340 HG13 VAL 44 HG13 VAL 44 3.646 12.475 -28.572 341 HG21 VAL 44 HG21 VAL 44 1.949 15.811 -28.597 342 HG22 VAL 44 HG22 VAL 44 0.521 15.266 -29.512 343 HG23 VAL 44 HG23 VAL 44 0.775 14.728 -27.843 344 H THR 45 H THR 45 2.489 16.493 -31.093 345 HA THR 45 HA THR 45 5.223 17.146 -31.523 346 HB THR 45 HB THR 45 3.091 19.042 -30.466 347 HG1 THR 45 HG1 THR 45 3.577 18.447 -33.166 348 HG21 THR 45 HG21 THR 45 5.432 19.452 -32.390 349 HG22 THR 45 HG22 THR 45 5.345 20.042 -30.718 350 HG23 THR 45 HG23 THR 45 4.229 20.681 -31.934 351 H GLY 46 H GLY 46 3.292 17.270 -28.511 352 HA2 GLY 46 HA2 GLY 46 5.126 16.388 -26.778 353 HA3 GLY 46 HA3 GLY 46 5.625 18.085 -26.915 354 H PHE 47 H PHE 47 5.007 17.025 -24.575 355 HA PHE 47 HA PHE 47 3.225 18.836 -23.348 356 HB2 PHE 47 HB2 PHE 47 1.647 17.074 -22.398 357 HB3 PHE 47 HB3 PHE 47 1.372 17.657 -24.020 358 HD1 PHE 47 HD2 PHE 47 3.910 14.913 -23.382 359 HD2 PHE 47 HD1 PHE 47 -0.100 15.923 -24.631 360 HE1 PHE 47 HE2 PHE 47 3.589 12.637 -24.273 361 HE2 PHE 47 HE1 PHE 47 -0.427 13.585 -25.409 362 HZ PHE 47 HZ PHE 47 1.428 11.943 -25.205 363 H PHE 48 H PHE 48 3.158 18.243 -20.832 364 HA PHE 48 HA PHE 48 5.496 16.656 -19.975 365 HB2 PHE 48 HB2 PHE 48 6.256 19.121 -20.306 366 HB3 PHE 48 HB3 PHE 48 5.238 19.467 -18.924 367 HD1 PHE 48 HD2 PHE 48 5.643 17.831 -16.770 368 HD2 PHE 48 HD1 PHE 48 8.565 18.896 -19.760 369 HE1 PHE 48 HE2 PHE 48 7.448 17.453 -15.146 370 HE2 PHE 48 HE1 PHE 48 10.358 18.515 -18.134 371 HZ PHE 48 HZ PHE 48 9.824 17.791 -15.813 372 H GLU 49 H GLU 49 4.008 15.208 -18.985 373 HA GLU 49 HA GLU 49 1.896 16.418 -17.288 374 HB2 GLU 49 HB2 GLU 49 1.873 13.878 -18.934 375 HB3 GLU 49 HB3 GLU 49 0.540 14.745 -18.211 376 HG2 GLU 49 HG2 GLU 49 2.211 15.731 -20.558 377 HG3 GLU 49 HG3 GLU 49 0.612 15.029 -20.648 378 H VAL 50 H VAL 50 1.969 15.962 -15.123 379 HA VAL 50 HA VAL 50 3.757 13.677 -14.297 380 HB VAL 50 HB VAL 50 3.034 16.075 -12.606 381 HG11 VAL 50 HG11 VAL 50 3.613 14.143 -11.259 382 HG12 VAL 50 HG12 VAL 50 5.056 13.841 -12.242 383 HG13 VAL 50 HG13 VAL 50 4.948 15.296 -11.226 384 HG21 VAL 50 HG21 VAL 50 5.292 16.913 -12.997 385 HG22 VAL 50 HG22 VAL 50 5.673 15.517 -14.030 386 HG23 VAL 50 HG23 VAL 50 4.508 16.723 -14.573 387 H THR 51 H THR 51 2.797 11.926 -13.390 388 HA THR 51 HA THR 51 0.062 12.173 -12.359 389 HB THR 51 HB THR 51 0.263 9.717 -13.372 390 HG1 THR 51 HG1 THR 51 1.808 11.036 -15.279 391 HG21 THR 51 HG21 THR 51 -0.603 10.532 -15.565 392 HG22 THR 51 HG22 THR 51 -0.109 12.186 -15.121 393 HG23 THR 51 HG23 THR 51 -1.373 11.338 -14.195 394 H VAL 52 H VAL 52 -0.219 11.310 -10.268 395 HA VAL 52 HA VAL 52 1.733 9.299 -9.246 396 HB VAL 52 HB VAL 52 2.106 11.316 -8.077 397 HG11 VAL 52 HG11 VAL 52 -0.867 11.452 -7.375 398 HG12 VAL 52 HG12 VAL 52 0.404 12.525 -6.769 399 HG13 VAL 52 HG13 VAL 52 -0.010 12.537 -8.483 400 HG21 VAL 52 HG21 VAL 52 1.678 10.657 -5.773 401 HG22 VAL 52 HG22 VAL 52 0.346 9.619 -6.269 402 HG23 VAL 52 HG23 VAL 52 2.016 9.205 -6.708 403 H ALA 53 H ALA 53 0.888 7.371 -8.833 404 HA ALA 53 HA ALA 53 -0.577 5.678 -9.192 405 HB1 ALA 53 HB1 ALA 53 -2.432 7.321 -7.429 406 HB2 ALA 53 HB2 ALA 53 -2.571 5.587 -7.779 407 HB3 ALA 53 HB3 ALA 53 -1.177 6.190 -6.873 408 H GLY 54 H GLY 54 -0.477 7.622 -11.254 409 HA2 GLY 54 HA2 GLY 54 -1.497 8.026 -13.323 410 HA3 GLY 54 HA3 GLY 54 -2.927 7.141 -12.779 411 H LYS 55 H LYS 55 -2.560 9.341 -10.375 412 HA LYS 55 HA LYS 55 -4.582 11.200 -11.397 413 HB2 LYS 55 HB2 LYS 55 -3.047 11.400 -8.851 414 HB3 LYS 55 HB3 LYS 55 -4.515 12.249 -9.263 415 HG2 LYS 55 HG2 LYS 55 -4.249 9.240 -8.778 416 HG3 LYS 55 HG3 LYS 55 -4.950 10.438 -7.679 417 HD2 LYS 55 HD2 LYS 55 -6.711 10.943 -9.376 418 HD3 LYS 55 HD3 LYS 55 -6.044 9.659 -10.418 419 HE2 LYS 55 HE2 LYS 55 -6.416 7.991 -8.641 420 HE3 LYS 55 HE3 LYS 55 -7.034 9.252 -7.564 421 HZ1 LYS 55 HZ1 LYS 55 -8.285 8.418 -10.124 422 HZ2 LYS 55 HZ2 LYS 55 -8.832 9.636 -9.167 423 HZ3 LYS 55 HZ3 LYS 55 -8.852 8.086 -8.620 424 H LEU 56 H LEU 56 -3.830 12.383 -13.039 425 HA LEU 56 HA LEU 56 -1.322 13.745 -13.157 426 HB2 LEU 56 HB2 LEU 56 -2.439 13.452 -15.071 427 HB3 LEU 56 HB3 LEU 56 -3.978 14.164 -14.529 428 HG LEU 56 HG LEU 56 -1.521 15.904 -14.618 429 HD11 LEU 56 HD11 LEU 56 -3.040 15.020 -17.112 430 HD12 LEU 56 HD12 LEU 56 -1.351 14.631 -16.716 431 HD13 LEU 56 HD13 LEU 56 -1.802 16.300 -17.048 432 HD21 LEU 56 HD21 LEU 56 -3.728 16.859 -13.942 433 HD22 LEU 56 HD22 LEU 56 -4.408 16.373 -15.505 434 HD23 LEU 56 HD23 LEU 56 -3.119 17.594 -15.432 435 H VAL 57 H VAL 57 -0.532 15.165 -12.038 436 HA VAL 57 HA VAL 57 -2.221 17.060 -10.392 437 HB VAL 57 HB VAL 57 0.772 16.637 -10.054 438 HG11 VAL 57 HG11 VAL 57 0.294 17.679 -7.823 439 HG12 VAL 57 HG12 VAL 57 -0.095 18.765 -9.164 440 HG13 VAL 57 HG13 VAL 57 -1.394 17.906 -8.306 441 HG21 VAL 57 HG21 VAL 57 -0.279 14.510 -9.519 442 HG22 VAL 57 HG22 VAL 57 0.215 15.315 -8.024 443 HG23 VAL 57 HG23 VAL 57 -1.500 15.316 -8.511 444 H HIS 58 H HIS 58 0.421 16.763 -12.716 445 HA HIS 58 HA HIS 58 0.353 19.730 -13.231 446 HB2 HIS 58 HB2 HIS 58 2.465 18.825 -12.192 447 HB3 HIS 58 HB3 HIS 58 2.592 17.807 -13.641 448 HD1 HIS 58 HD1 HIS 58 2.371 21.726 -13.254 449 HD2 HIS 58 HD2 HIS 58 3.901 18.552 -15.604 450 HE1 HIS 58 HE1 HIS 58 3.488 22.737 -15.249 451 H SER 59 H SER 59 0.503 20.404 -15.288 452 HA SER 59 HA SER 59 0.730 18.552 -17.528 453 HB2 SER 59 HB2 SER 59 -1.667 18.502 -16.922 454 HB3 SER 59 HB3 SER 59 -1.752 20.228 -16.973 455 HG SER 59 HG SER 59 -1.136 18.446 -19.110 456 H LYS 60 H LYS 60 2.155 19.647 -18.864 457 HA LYS 60 HA LYS 60 2.195 22.568 -18.979 458 HB2 LYS 60 HB2 LYS 60 3.649 20.292 -20.243 459 HB3 LYS 60 HB3 LYS 60 3.534 21.722 -21.243 460 HG2 LYS 60 HG2 LYS 60 4.595 21.682 -18.373 461 HG3 LYS 60 HG3 LYS 60 5.575 21.659 -19.848 462 HD2 LYS 60 HD2 LYS 60 3.819 23.926 -18.857 463 HD3 LYS 60 HD3 LYS 60 5.587 23.870 -18.926 464 HE2 LYS 60 HE2 LYS 60 5.327 23.474 -21.444 465 HE3 LYS 60 HE3 LYS 60 3.624 23.910 -21.264 466 HZ1 LYS 60 HZ1 LYS 60 4.298 26.068 -20.416 467 HZ2 LYS 60 HZ2 LYS 60 4.999 25.823 -21.881 468 HZ3 LYS 60 HZ3 LYS 60 5.893 25.660 -20.511 469 H LYS 61 H LYS 61 0.494 20.066 -20.804 470 HA LYS 61 HA LYS 61 -0.383 22.036 -22.822 471 HB2 LYS 61 HB2 LYS 61 -1.887 20.441 -23.696 472 HB3 LYS 61 HB3 LYS 61 -0.307 19.694 -23.428 473 HG2 LYS 61 HG2 LYS 61 -1.161 18.577 -21.415 474 HG3 LYS 61 HG3 LYS 61 -2.747 19.350 -21.619 475 HD2 LYS 61 HD2 LYS 61 -2.993 18.250 -23.826 476 HD3 LYS 61 HD3 LYS 61 -1.424 17.470 -23.629 477 HE2 LYS 61 HE2 LYS 61 -3.833 17.063 -21.798 478 HE3 LYS 61 HE3 LYS 61 -3.399 15.999 -23.142 479 HZ1 LYS 61 HZ1 LYS 61 -2.530 15.125 -21.059 480 HZ2 LYS 61 HZ2 LYS 61 -1.700 16.502 -20.749 481 HZ3 LYS 61 HZ3 LYS 61 -1.269 15.567 -22.015 482 H ARG 62 H ARG 62 -1.592 21.299 -19.568 483 HA ARG 62 HA ARG 62 -3.967 22.963 -19.823 484 HB2 ARG 62 HB2 ARG 62 -3.568 21.152 -18.158 485 HB3 ARG 62 HB3 ARG 62 -2.177 22.090 -17.551 486 HG2 ARG 62 HG2 ARG 62 -3.572 23.799 -16.684 487 HG3 ARG 62 HG3 ARG 62 -5.038 23.010 -17.351 488 HD2 ARG 62 HD2 ARG 62 -4.909 22.347 -15.097 489 HD3 ARG 62 HD3 ARG 62 -4.311 20.947 -15.995 490 HE ARG 62 HE ARG 62 -2.209 22.819 -15.126 491 HH11 ARG 62 HH11 ARG 62 -3.855 19.790 -14.318 492 HH12 ARG 62 HH12 ARG 62 -2.848 19.571 -12.894 493 HH21 ARG 62 HH21 ARG 62 -1.358 22.527 -12.869 494 HH22 ARG 62 HH22 ARG 62 -1.473 20.910 -12.241 495 H GLY 63 H GLY 63 -0.588 23.471 -19.132 496 HA2 GLY 63 HA2 GLY 63 0.516 25.398 -19.643 497 HA3 GLY 63 HA3 GLY 63 -0.920 26.422 -19.384 498 H ASP 64 H ASP 64 -0.054 23.979 -17.093 499 HA ASP 64 HA ASP 64 -0.067 25.736 -14.886 500 HB2 ASP 64 HB2 ASP 64 -0.520 23.263 -15.096 501 HB3 ASP 64 HB3 ASP 64 1.219 23.006 -15.139 502 H GLY 65 H GLY 65 2.595 24.721 -16.858 503 HA2 GLY 65 HA2 GLY 65 4.844 25.403 -16.998 504 HA3 GLY 65 HA3 GLY 65 4.557 26.601 -15.730 505 H TYR 66 H TYR 66 6.820 24.792 -16.074 506 HA TYR 66 HA TYR 66 6.632 22.453 -14.495 507 HB2 TYR 66 HB2 TYR 66 9.211 23.952 -14.933 508 HB3 TYR 66 HB3 TYR 66 8.909 22.221 -14.927 509 HD1 TYR 66 HD1 TYR 66 7.870 21.079 -16.908 510 HD2 TYR 66 HD2 TYR 66 9.005 25.255 -16.967 511 HE1 TYR 66 HE1 TYR 66 7.723 21.095 -19.373 512 HE2 TYR 66 HE2 TYR 66 8.790 25.269 -19.449 513 HH TYR 66 HH TYR 66 8.304 22.367 -21.329 514 H VAL 67 H VAL 67 8.476 22.169 -12.688 515 HA VAL 67 HA VAL 67 7.938 24.089 -10.542 516 HB VAL 67 HB VAL 67 9.480 23.119 -9.166 517 HG11 VAL 67 HG11 VAL 67 7.145 22.341 -9.207 518 HG12 VAL 67 HG12 VAL 67 7.521 21.141 -10.458 519 HG13 VAL 67 HG13 VAL 67 8.193 20.959 -8.837 520 HG21 VAL 67 HG21 VAL 67 11.197 22.057 -10.604 521 HG22 VAL 67 HG22 VAL 67 10.442 20.818 -9.627 522 HG23 VAL 67 HG23 VAL 67 9.971 20.989 -11.333 523 H ASP 68 H ASP 68 8.339 25.864 -11.376 524 HA ASP 68 HA ASP 68 11.065 26.826 -11.996 525 HB2 ASP 68 HB2 ASP 68 8.262 27.588 -12.679 526 HB3 ASP 68 HB3 ASP 68 9.650 28.599 -13.021 527 H THR 69 H THR 69 9.068 26.738 -9.370 528 HA THR 69 HA THR 69 10.649 28.858 -8.085 529 HB THR 69 HB THR 69 7.841 29.035 -7.285 530 HG1 THR 69 HG1 THR 69 8.696 30.041 -9.787 531 HG21 THR 69 HG21 THR 69 8.337 31.463 -7.233 532 HG22 THR 69 HG22 THR 69 9.917 31.154 -7.973 533 HG23 THR 69 HG23 THR 69 9.557 30.538 -6.345 534 H GLU 70 H GLU 70 10.533 28.779 -5.827 535 HA GLU 70 HA GLU 70 10.638 26.233 -4.594 536 HB2 GLU 70 HB2 GLU 70 11.130 28.864 -3.825 537 HB3 GLU 70 HB3 GLU 70 9.732 28.520 -2.845 538 HG2 GLU 70 HG2 GLU 70 12.202 26.739 -2.842 539 HG3 GLU 70 HG3 GLU 70 11.987 28.110 -1.759 540 H SER 71 H SER 71 8.149 28.581 -4.480 541 HA SER 71 HA SER 71 6.239 27.023 -2.997 542 HB2 SER 71 HB2 SER 71 6.117 29.526 -3.730 543 HB3 SER 71 HB3 SER 71 5.284 28.932 -5.173 544 HG SER 71 HG SER 71 4.024 29.524 -3.158 545 H LYS 72 H LYS 72 6.936 26.975 -6.415 546 HA LYS 72 HA LYS 72 4.624 25.361 -7.154 547 HB2 LYS 72 HB2 LYS 72 6.090 26.806 -8.772 548 HB3 LYS 72 HB3 LYS 72 7.178 25.410 -8.768 549 HG2 LYS 72 HG2 LYS 72 5.809 24.785 -10.532 550 HG3 LYS 72 HG3 LYS 72 4.917 24.039 -9.233 551 HD2 LYS 72 HD2 LYS 72 3.275 25.175 -10.525 552 HD3 LYS 72 HD3 LYS 72 3.532 26.216 -9.123 553 HE2 LYS 72 HE2 LYS 72 3.639 27.773 -10.843 554 HE3 LYS 72 HE3 LYS 72 5.351 27.389 -10.640 555 HZ1 LYS 72 HZ1 LYS 72 5.029 25.702 -12.473 556 HZ2 LYS 72 HZ2 LYS 72 4.831 27.256 -12.969 557 HZ3 LYS 72 HZ3 LYS 72 3.541 26.289 -12.735 558 H PHE 73 H PHE 73 8.018 24.710 -6.522 559 HA PHE 73 HA PHE 73 7.906 21.831 -6.810 560 HB2 PHE 73 HB2 PHE 73 10.004 23.145 -6.861 561 HB3 PHE 73 HB3 PHE 73 9.775 23.601 -5.181 562 HD1 PHE 73 HD2 PHE 73 9.840 20.440 -7.261 563 HD2 PHE 73 HD1 PHE 73 11.072 22.415 -3.621 564 HE1 PHE 73 HE2 PHE 73 10.909 18.340 -6.474 565 HE2 PHE 73 HE1 PHE 73 12.153 20.327 -2.866 566 HZ PHE 73 HZ PHE 73 11.970 18.278 -4.230 567 H ARG 74 H ARG 74 7.820 23.861 -3.917 568 HA ARG 74 HA ARG 74 7.294 21.857 -2.047 569 HB2 ARG 74 HB2 ARG 74 8.065 24.376 -1.909 570 HB3 ARG 74 HB3 ARG 74 6.357 24.743 -1.726 571 HG2 ARG 74 HG2 ARG 74 6.251 23.721 0.393 572 HG3 ARG 74 HG3 ARG 74 7.664 22.680 0.086 573 HD2 ARG 74 HD2 ARG 74 9.195 24.490 0.222 574 HD3 ARG 74 HD3 ARG 74 7.910 25.707 0.192 575 HE ARG 74 HE ARG 74 7.575 24.002 2.457 576 HH11 ARG 74 HH11 ARG 74 9.831 26.452 1.310 577 HH12 ARG 74 HH12 ARG 74 10.237 26.995 2.908 578 HH21 ARG 74 HH21 ARG 74 8.140 24.736 4.503 579 HH22 ARG 74 HH22 ARG 74 9.277 26.053 4.649 580 H LYS 75 H LYS 75 4.880 23.490 -4.022 581 HA LYS 75 HA LYS 75 2.581 22.535 -2.534 582 HB2 LYS 75 HB2 LYS 75 3.043 23.750 -5.238 583 HB3 LYS 75 HB3 LYS 75 1.742 22.570 -5.174 584 HG2 LYS 75 HG2 LYS 75 0.648 24.567 -4.766 585 HG3 LYS 75 HG3 LYS 75 0.786 23.824 -3.172 586 HD2 LYS 75 HD2 LYS 75 2.805 25.320 -2.744 587 HD3 LYS 75 HD3 LYS 75 2.521 26.038 -4.343 588 HE2 LYS 75 HE2 LYS 75 1.616 27.525 -2.743 589 HE3 LYS 75 HE3 LYS 75 0.286 26.795 -3.652 590 HZ1 LYS 75 HZ1 LYS 75 -0.167 26.859 -1.259 591 HZ2 LYS 75 HZ2 LYS 75 1.173 25.959 -0.943 592 HZ3 LYS 75 HZ3 LYS 75 -0.088 25.301 -1.768 593 H LEU 76 H LEU 76 4.657 21.198 -5.029 594 HA LEU 76 HA LEU 76 3.021 18.787 -5.320 595 HB2 LEU 76 HB2 LEU 76 4.506 20.084 -7.097 596 HB3 LEU 76 HB3 LEU 76 5.865 19.246 -6.379 597 HG LEU 76 HG LEU 76 5.021 18.315 -8.514 598 HD11 LEU 76 HD11 LEU 76 6.332 16.877 -7.068 599 HD12 LEU 76 HD12 LEU 76 5.085 15.941 -7.919 600 HD13 LEU 76 HD13 LEU 76 4.871 16.363 -6.208 601 HD21 LEU 76 HD21 LEU 76 2.589 18.651 -8.101 602 HD22 LEU 76 HD22 LEU 76 2.625 17.277 -6.968 603 HD23 LEU 76 HD23 LEU 76 3.009 17.034 -8.684 604 H VAL 77 H VAL 77 6.124 19.582 -3.932 605 HA VAL 77 HA VAL 77 6.627 16.929 -2.867 606 HB VAL 77 HB VAL 77 7.610 19.607 -1.790 607 HG11 VAL 77 HG11 VAL 77 9.360 18.235 -0.623 608 HG12 VAL 77 HG12 VAL 77 7.750 17.969 0.042 609 HG13 VAL 77 HG13 VAL 77 8.471 16.770 -1.060 610 HG21 VAL 77 HG21 VAL 77 8.921 17.431 -3.484 611 HG22 VAL 77 HG22 VAL 77 8.467 19.065 -4.037 612 HG23 VAL 77 HG23 VAL 77 9.729 18.857 -2.815 613 H THR 78 H THR 78 4.834 19.687 -1.458 614 HA THR 78 HA THR 78 4.335 18.235 0.965 615 HB THR 78 HB THR 78 2.735 20.556 -0.177 616 HG1 THR 78 HG1 THR 78 4.757 21.195 0.125 617 HG21 THR 78 HG21 THR 78 2.150 21.021 2.197 618 HG22 THR 78 HG22 THR 78 2.944 19.508 2.684 619 HG23 THR 78 HG23 THR 78 1.490 19.470 1.659 620 H ALA 79 H ALA 79 2.670 18.327 -2.141 621 HA ALA 79 HA ALA 79 0.387 16.927 -0.998 622 HB1 ALA 79 HB1 ALA 79 1.208 17.366 -3.917 623 HB2 ALA 79 HB2 ALA 79 -0.377 16.774 -3.374 624 HB3 ALA 79 HB3 ALA 79 0.127 18.429 -2.982 625 H ILE 80 H ILE 80 3.329 15.977 -2.488 626 HA ILE 80 HA ILE 80 2.482 13.138 -2.726 627 HB ILE 80 HB ILE 80 5.184 14.453 -3.075 628 HG12 ILE 80 HG12 ILE 80 3.518 15.050 -4.840 629 HG13 ILE 80 HG13 ILE 80 4.922 14.163 -5.436 630 HG21 ILE 80 HG21 ILE 80 5.839 12.254 -4.141 631 HG22 ILE 80 HG22 ILE 80 5.512 12.117 -2.411 632 HG23 ILE 80 HG23 ILE 80 4.307 11.559 -3.563 633 HD11 ILE 80 HD11 ILE 80 2.801 13.507 -6.514 634 HD12 ILE 80 HD12 ILE 80 3.567 12.142 -5.693 635 HD13 ILE 80 HD13 ILE 80 2.164 12.962 -4.953 636 H LYS 81 H LYS 81 4.160 15.237 -0.427 637 HA LYS 81 HA LYS 81 5.144 13.050 1.254 638 HB2 LYS 81 HB2 LYS 81 6.032 15.411 1.251 639 HB3 LYS 81 HB3 LYS 81 4.554 15.977 2.013 640 HG2 LYS 81 HG2 LYS 81 4.980 14.807 4.035 641 HG3 LYS 81 HG3 LYS 81 6.224 13.787 3.314 642 HD2 LYS 81 HD2 LYS 81 6.538 16.806 3.649 643 HD3 LYS 81 HD3 LYS 81 7.042 15.612 4.858 644 HE2 LYS 81 HE2 LYS 81 8.423 14.487 3.032 645 HE3 LYS 81 HE3 LYS 81 8.103 15.887 2.004 646 HZ1 LYS 81 HZ1 LYS 81 9.300 17.273 3.550 647 HZ2 LYS 81 HZ2 LYS 81 10.224 16.007 3.219 648 HZ3 LYS 81 HZ3 LYS 81 9.466 16.028 4.652 649 H ALA 82 H ALA 82 2.414 15.131 1.273 650 HA ALA 82 HA ALA 82 1.061 14.072 3.615 651 HB1 ALA 82 HB1 ALA 82 0.457 16.267 2.655 652 HB2 ALA 82 HB2 ALA 82 -0.090 15.480 1.158 653 HB3 ALA 82 HB3 ALA 82 -0.955 15.191 2.682 654 H ALA 83 H ALA 83 0.514 13.406 0.108 655 HA ALA 83 HA ALA 83 -1.310 11.289 0.573 656 HB1 ALA 83 HB1 ALA 83 -0.933 10.702 -1.774 657 HB2 ALA 83 HB2 ALA 83 -1.077 12.460 -1.589 658 HB3 ALA 83 HB3 ALA 83 0.527 11.718 -1.813 659 H LEU 84 H LEU 84 2.154 11.277 0.480 660 HA LEU 84 HA LEU 84 2.473 8.408 0.507 661 HB2 LEU 84 HB2 LEU 84 4.278 10.089 -0.039 662 HB3 LEU 84 HB3 LEU 84 4.413 10.494 1.663 663 HG LEU 84 HG LEU 84 6.117 9.057 0.584 664 HD11 LEU 84 HD11 LEU 84 5.748 8.985 3.064 665 HD12 LEU 84 HD12 LEU 84 6.469 7.525 2.384 666 HD13 LEU 84 HD13 LEU 84 4.758 7.529 2.833 667 HD21 LEU 84 HD21 LEU 84 5.669 6.894 -0.195 668 HD22 LEU 84 HD22 LEU 84 4.302 7.801 -0.779 669 HD23 LEU 84 HD23 LEU 84 4.121 6.767 0.657 670 H ALA 85 H ALA 85 2.680 10.759 3.123 671 HA ALA 85 HA ALA 85 2.828 8.800 5.225 672 HB1 ALA 85 HB1 ALA 85 3.529 11.167 5.500 673 HB2 ALA 85 HB2 ALA 85 1.831 11.682 5.364 674 HB3 ALA 85 HB3 ALA 85 2.355 10.695 6.749 675 H GLN 86 H GLN 86 0.158 9.802 3.461 676 HA GLN 86 HA GLN 86 -1.914 8.763 5.316 677 HB2 GLN 86 HB2 GLN 86 -2.037 9.822 2.469 678 HB3 GLN 86 HB3 GLN 86 -3.441 9.166 3.316 679 HG2 GLN 86 HG2 GLN 86 -3.356 10.867 5.010 680 HG3 GLN 86 HG3 GLN 86 -1.797 11.464 4.461 681 HE21 GLN 86 HE21 GLN 86 -4.642 12.774 4.671 682 HE22 GLN 86 HE22 GLN 86 -4.723 13.472 3.036 683 H CYS 87 H CYS 87 -0.642 7.929 2.200 684 HA CYS 87 HA CYS 87 -1.775 5.316 1.890 685 HB2 CYS 87 HB2 CYS 87 -0.583 6.884 0.197 686 HB3 CYS 87 HB3 CYS 87 0.921 6.129 0.749 687 HG CYS 87 HG CYS 87 0.173 4.985 -1.503 688 H GLN 88 H GLN 88 1.109 6.338 3.596 689 HA GLN 88 HA GLN 88 2.347 3.807 3.822 690 HB2 GLN 88 HB2 GLN 88 3.245 6.109 4.504 691 HB3 GLN 88 HB3 GLN 88 2.466 5.869 6.071 692 HG2 GLN 88 HG2 GLN 88 4.237 3.629 5.109 693 HG3 GLN 88 HG3 GLN 88 5.040 5.178 5.367 694 HE21 GLN 88 HE21 GLN 88 2.800 2.923 7.158 695 HE22 GLN 88 HE22 GLN 88 3.660 3.251 8.685 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -0.331 1.049 -1.988 2 H2 MET 1 H2 MET 1 0.722 0.375 -0.924 3 H3 MET 1 H3 MET 1 -0.379 -0.546 -1.724 4 HA MET 1 HA MET 1 1.761 -0.899 -2.726 5 HB2 MET 1 HB2 MET 1 -0.086 0.822 -4.444 6 HB3 MET 1 HB3 MET 1 1.291 -0.094 -5.054 7 HG2 MET 1 HG2 MET 1 0.191 -2.175 -4.002 8 HG3 MET 1 HG3 MET 1 -1.254 -1.173 -3.844 9 HE1 MET 1 HE1 MET 1 1.156 -3.112 -6.151 10 HE2 MET 1 HE2 MET 1 0.607 -2.719 -7.794 11 HE3 MET 1 HE3 MET 1 1.489 -1.505 -6.844 12 H ALA 2 H ALA 2 3.398 0.272 -4.356 13 HA ALA 2 HA ALA 2 4.353 2.772 -3.166 14 HB1 ALA 2 HB1 ALA 2 6.031 2.664 -4.984 15 HB2 ALA 2 HB2 ALA 2 5.959 1.134 -4.097 16 HB3 ALA 2 HB3 ALA 2 5.187 1.276 -5.697 17 H LEU 3 H LEU 3 4.354 4.819 -4.285 18 HA LEU 3 HA LEU 3 1.821 5.228 -5.715 19 HB2 LEU 3 HB2 LEU 3 3.026 6.733 -3.804 20 HB3 LEU 3 HB3 LEU 3 3.694 7.478 -5.272 21 HG LEU 3 HG LEU 3 1.416 7.917 -6.082 22 HD11 LEU 3 HD11 LEU 3 0.074 6.243 -4.946 23 HD12 LEU 3 HD12 LEU 3 -0.480 7.843 -4.468 24 HD13 LEU 3 HD13 LEU 3 0.538 6.891 -3.359 25 HD21 LEU 3 HD21 LEU 3 0.971 9.759 -4.461 26 HD22 LEU 3 HD22 LEU 3 2.697 9.614 -4.828 27 HD23 LEU 3 HD23 LEU 3 2.056 8.985 -3.290 28 H ALA 4 H ALA 4 1.800 4.917 -7.719 29 HA ALA 4 HA ALA 4 4.103 4.882 -9.465 30 HB1 ALA 4 HB1 ALA 4 1.164 4.296 -10.025 31 HB2 ALA 4 HB2 ALA 4 2.550 3.782 -11.010 32 HB3 ALA 4 HB3 ALA 4 2.349 3.131 -9.388 33 H VAL 5 H VAL 5 4.921 6.749 -10.428 34 HA VAL 5 HA VAL 5 2.981 8.715 -11.496 35 HB VAL 5 HB VAL 5 5.763 9.352 -10.686 36 HG11 VAL 5 HG11 VAL 5 5.047 11.655 -10.550 37 HG12 VAL 5 HG12 VAL 5 4.717 11.028 -12.159 38 HG13 VAL 5 HG13 VAL 5 3.392 11.208 -10.982 39 HG21 VAL 5 HG21 VAL 5 3.259 9.667 -9.011 40 HG22 VAL 5 HG22 VAL 5 4.621 8.628 -8.603 41 HG23 VAL 5 HG23 VAL 5 4.837 10.371 -8.594 42 H ARG 6 H ARG 6 3.282 9.605 -13.360 43 HA ARG 6 HA ARG 6 5.434 8.763 -15.233 44 HB2 ARG 6 HB2 ARG 6 2.636 8.046 -15.502 45 HB3 ARG 6 HB3 ARG 6 2.996 9.238 -16.743 46 HG2 ARG 6 HG2 ARG 6 3.303 6.931 -17.548 47 HG3 ARG 6 HG3 ARG 6 4.798 7.875 -17.643 48 HD2 ARG 6 HD2 ARG 6 5.132 5.538 -16.853 49 HD3 ARG 6 HD3 ARG 6 5.725 6.769 -15.731 50 HE ARG 6 HE ARG 6 3.080 6.065 -14.987 51 HH11 ARG 6 HH11 ARG 6 6.262 4.454 -14.753 52 HH12 ARG 6 HH12 ARG 6 5.968 4.211 -13.051 53 HH21 ARG 6 HH21 ARG 6 2.866 5.452 -12.878 54 HH22 ARG 6 HH22 ARG 6 4.248 4.575 -12.201 55 H VAL 7 H VAL 7 5.767 10.273 -17.072 56 HA VAL 7 HA VAL 7 4.781 13.002 -16.703 57 HB VAL 7 HB VAL 7 7.751 12.436 -17.039 58 HG11 VAL 7 HG11 VAL 7 6.977 14.549 -18.016 59 HG12 VAL 7 HG12 VAL 7 6.133 14.975 -16.528 60 HG13 VAL 7 HG13 VAL 7 7.914 14.874 -16.557 61 HG21 VAL 7 HG21 VAL 7 8.045 13.361 -14.753 62 HG22 VAL 7 HG22 VAL 7 6.286 13.214 -14.503 63 HG23 VAL 7 HG23 VAL 7 7.278 11.773 -14.775 64 H VAL 8 H VAL 8 3.987 13.450 -18.630 65 HA VAL 8 HA VAL 8 5.142 12.338 -21.169 66 HB VAL 8 HB VAL 8 2.885 14.359 -20.967 67 HG11 VAL 8 HG11 VAL 8 3.954 14.246 -23.165 68 HG12 VAL 8 HG12 VAL 8 3.739 12.479 -23.200 69 HG13 VAL 8 HG13 VAL 8 2.328 13.559 -23.232 70 HG21 VAL 8 HG21 VAL 8 2.591 11.341 -21.186 71 HG22 VAL 8 HG22 VAL 8 2.111 12.339 -19.797 72 HG23 VAL 8 HG23 VAL 8 1.291 12.528 -21.349 73 H TYR 9 H TYR 9 6.820 13.455 -22.165 74 HA TYR 9 HA TYR 9 6.378 16.276 -22.541 75 HB2 TYR 9 HB2 TYR 9 7.670 16.384 -20.422 76 HB3 TYR 9 HB3 TYR 9 8.983 15.490 -21.206 77 HD1 TYR 9 HD2 TYR 9 6.936 18.408 -22.477 78 HD2 TYR 9 HD1 TYR 9 10.802 16.951 -21.222 79 HE1 TYR 9 HE2 TYR 9 7.954 20.491 -23.272 80 HE2 TYR 9 HE1 TYR 9 11.832 19.104 -21.979 81 HH TYR 9 HH TYR 9 9.892 21.584 -23.646 82 H SER 10 H SER 10 7.671 17.229 -24.207 83 HA SER 10 HA SER 10 8.699 15.487 -26.301 84 HB2 SER 10 HB2 SER 10 9.319 17.621 -27.378 85 HB3 SER 10 HB3 SER 10 7.610 17.572 -26.924 86 HG SER 10 HG SER 10 9.545 18.656 -25.191 87 H GLY 11 H GLY 11 10.501 14.398 -25.761 88 HA2 GLY 11 HA2 GLY 11 12.584 15.088 -24.106 89 HA3 GLY 11 HA3 GLY 11 12.759 13.985 -25.466 90 H ALA 12 H ALA 12 12.057 17.090 -26.619 91 HA ALA 12 HA ALA 12 14.366 16.920 -28.279 92 HB1 ALA 12 HB1 ALA 12 13.397 18.916 -29.350 93 HB2 ALA 12 HB2 ALA 12 12.144 17.711 -29.007 94 HB3 ALA 12 HB3 ALA 12 12.303 19.149 -27.970 95 H CYS 13 H CYS 13 14.067 18.612 -25.288 96 HA CYS 13 HA CYS 13 16.554 20.191 -25.908 97 HB2 CYS 13 HB2 CYS 13 14.491 21.584 -25.952 98 HB3 CYS 13 HB3 CYS 13 14.195 21.150 -24.252 99 HG CYS 13 HG CYS 13 16.638 22.858 -25.702 100 H GLY 14 H GLY 14 17.590 18.259 -25.034 101 HA2 GLY 14 HA2 GLY 14 18.865 17.240 -23.367 102 HA3 GLY 14 HA3 GLY 14 18.803 18.825 -22.578 103 H TYR 15 H TYR 15 16.170 16.485 -23.137 104 HA TYR 15 HA TYR 15 14.899 17.092 -20.769 105 HB2 TYR 15 HB2 TYR 15 13.339 15.438 -21.277 106 HB3 TYR 15 HB3 TYR 15 13.948 16.039 -22.813 107 HD1 TYR 15 HD2 TYR 15 15.979 14.550 -23.871 108 HD2 TYR 15 HD1 TYR 15 13.054 13.142 -21.017 109 HE1 TYR 15 HE2 TYR 15 16.437 12.234 -24.558 110 HE2 TYR 15 HE1 TYR 15 13.492 10.809 -21.736 111 HH TYR 15 HH TYR 15 15.484 10.072 -24.504 112 H LYS 16 H LYS 16 16.971 14.182 -21.177 113 HA LYS 16 HA LYS 16 16.325 12.848 -18.882 114 HB2 LYS 16 HB2 LYS 16 18.944 13.084 -20.381 115 HB3 LYS 16 HB3 LYS 16 18.899 12.140 -18.891 116 HG2 LYS 16 HG2 LYS 16 17.019 11.631 -21.241 117 HG3 LYS 16 HG3 LYS 16 18.594 10.847 -21.022 118 HD2 LYS 16 HD2 LYS 16 17.753 10.132 -18.698 119 HD3 LYS 16 HD3 LYS 16 16.129 10.560 -19.247 120 HE2 LYS 16 HE2 LYS 16 17.963 8.730 -20.842 121 HE3 LYS 16 HE3 LYS 16 17.032 8.097 -19.472 122 HZ1 LYS 16 HZ1 LYS 16 15.873 7.787 -21.576 123 HZ2 LYS 16 HZ2 LYS 16 15.836 9.384 -21.874 124 HZ3 LYS 16 HZ3 LYS 16 14.997 8.762 -20.596 125 HA PRO 17 HA PRO 17 19.149 14.945 -15.745 126 HB2 PRO 17 HB2 PRO 17 20.296 17.397 -16.237 127 HB3 PRO 17 HB3 PRO 17 21.086 15.831 -16.599 128 HG2 PRO 17 HG2 PRO 17 19.516 17.605 -18.501 129 HG3 PRO 17 HG3 PRO 17 21.134 16.871 -18.756 130 HD2 PRO 17 HD2 PRO 17 18.923 15.701 -19.759 131 HD3 PRO 17 HD3 PRO 17 20.214 14.706 -19.023 132 H LYS 18 H LYS 18 17.105 17.034 -17.798 133 HA LYS 18 HA LYS 18 16.177 18.750 -15.622 134 HB2 LYS 18 HB2 LYS 18 14.970 18.138 -18.322 135 HB3 LYS 18 HB3 LYS 18 14.395 19.390 -17.207 136 HG2 LYS 18 HG2 LYS 18 16.516 20.592 -17.376 137 HG3 LYS 18 HG3 LYS 18 17.215 19.312 -18.386 138 HD2 LYS 18 HD2 LYS 18 15.529 19.734 -20.134 139 HD3 LYS 18 HD3 LYS 18 14.827 21.041 -19.151 140 HE2 LYS 18 HE2 LYS 18 16.984 22.254 -19.204 141 HE3 LYS 18 HE3 LYS 18 17.719 20.925 -20.119 142 HZ1 LYS 18 HZ1 LYS 18 15.452 22.571 -21.094 143 HZ2 LYS 18 HZ2 LYS 18 16.171 21.349 -21.908 144 HZ3 LYS 18 HZ3 LYS 18 17.012 22.725 -21.600 145 H TYR 19 H TYR 19 14.877 15.817 -17.177 146 HA TYR 19 HA TYR 19 12.621 15.409 -15.438 147 HB2 TYR 19 HB2 TYR 19 14.325 13.742 -17.297 148 HB3 TYR 19 HB3 TYR 19 13.403 12.902 -16.061 149 HD1 TYR 19 HD2 TYR 19 11.668 15.877 -17.372 150 HD2 TYR 19 HD1 TYR 19 12.459 11.666 -17.946 151 HE1 TYR 19 HE2 TYR 19 9.595 15.666 -18.707 152 HE2 TYR 19 HE1 TYR 19 10.398 11.508 -19.378 153 HH TYR 19 HH TYR 19 8.146 14.156 -19.847 154 H LEU 20 H LEU 20 15.989 14.133 -15.246 155 HA LEU 20 HA LEU 20 15.641 12.728 -12.806 156 HB2 LEU 20 HB2 LEU 20 18.038 14.060 -14.023 157 HB3 LEU 20 HB3 LEU 20 18.165 13.113 -12.588 158 HG LEU 20 HG LEU 20 17.165 11.938 -15.224 159 HD11 LEU 20 HD11 LEU 20 19.907 11.763 -13.905 160 HD12 LEU 20 HD12 LEU 20 19.532 12.626 -15.412 161 HD13 LEU 20 HD13 LEU 20 19.392 10.861 -15.346 162 HD21 LEU 20 HD21 LEU 20 16.367 10.691 -13.280 163 HD22 LEU 20 HD22 LEU 20 18.012 10.641 -12.614 164 HD23 LEU 20 HD23 LEU 20 17.629 9.776 -14.116 165 H GLN 21 H GLN 21 16.606 16.210 -13.228 166 HA GLN 21 HA GLN 21 17.270 16.657 -10.588 167 HB2 GLN 21 HB2 GLN 21 17.419 18.252 -12.567 168 HB3 GLN 21 HB3 GLN 21 15.709 18.653 -12.335 169 HG2 GLN 21 HG2 GLN 21 17.696 18.813 -10.070 170 HG3 GLN 21 HG3 GLN 21 17.650 20.101 -11.276 171 HE21 GLN 21 HE21 GLN 21 15.408 18.505 -8.824 172 HE22 GLN 21 HE22 GLN 21 14.564 20.062 -8.656 173 H LEU 22 H LEU 22 13.996 16.908 -12.014 174 HA LEU 22 HA LEU 22 12.648 17.307 -9.481 175 HB2 LEU 22 HB2 LEU 22 11.637 17.918 -11.645 176 HB3 LEU 22 HB3 LEU 22 11.650 16.221 -12.148 177 HG LEU 22 HG LEU 22 10.055 15.672 -10.318 178 HD11 LEU 22 HD11 LEU 22 8.836 17.524 -9.170 179 HD12 LEU 22 HD12 LEU 22 9.988 18.691 -9.864 180 HD13 LEU 22 HD13 LEU 22 10.536 17.465 -8.699 181 HD21 LEU 22 HD21 LEU 22 8.090 16.699 -11.326 182 HD22 LEU 22 HD22 LEU 22 9.240 16.213 -12.578 183 HD23 LEU 22 HD23 LEU 22 9.107 17.924 -12.129 184 H LYS 23 H LYS 23 13.400 14.389 -11.438 185 HA LYS 23 HA LYS 23 11.791 12.638 -9.799 186 HB2 LYS 23 HB2 LYS 23 13.010 12.329 -12.274 187 HB3 LYS 23 HB3 LYS 23 14.096 11.398 -11.219 188 HG2 LYS 23 HG2 LYS 23 11.250 10.944 -10.857 189 HG3 LYS 23 HG3 LYS 23 11.874 10.415 -12.417 190 HD2 LYS 23 HD2 LYS 23 13.275 9.593 -9.829 191 HD3 LYS 23 HD3 LYS 23 11.859 8.738 -10.425 192 HE2 LYS 23 HE2 LYS 23 12.980 8.544 -12.663 193 HE3 LYS 23 HE3 LYS 23 14.492 9.030 -11.841 194 HZ1 LYS 23 HZ1 LYS 23 12.763 6.812 -10.884 195 HZ2 LYS 23 HZ2 LYS 23 14.164 7.154 -10.312 196 HZ3 LYS 23 HZ3 LYS 23 14.093 6.515 -11.847 197 H GLU 24 H GLU 24 15.271 13.098 -9.872 198 HA GLU 24 HA GLU 24 16.203 11.528 -7.767 199 HB2 GLU 24 HB2 GLU 24 17.570 13.047 -9.270 200 HB3 GLU 24 HB3 GLU 24 16.895 14.438 -8.410 201 HG2 GLU 24 HG2 GLU 24 17.985 13.575 -6.305 202 HG3 GLU 24 HG3 GLU 24 18.785 12.336 -7.294 203 H LYS 25 H LYS 25 14.534 14.690 -7.450 204 HA LYS 25 HA LYS 25 14.792 14.759 -4.535 205 HB2 LYS 25 HB2 LYS 25 13.755 16.497 -6.662 206 HB3 LYS 25 HB3 LYS 25 12.541 16.293 -5.405 207 HG2 LYS 25 HG2 LYS 25 13.963 18.208 -4.893 208 HG3 LYS 25 HG3 LYS 25 14.109 16.920 -3.682 209 HD2 LYS 25 HD2 LYS 25 16.279 18.038 -4.248 210 HD3 LYS 25 HD3 LYS 25 16.310 16.288 -4.525 211 HE2 LYS 25 HE2 LYS 25 15.864 16.640 -6.927 212 HE3 LYS 25 HE3 LYS 25 15.809 18.399 -6.668 213 HZ1 LYS 25 HZ1 LYS 25 17.983 17.609 -7.505 214 HZ2 LYS 25 HZ2 LYS 25 18.184 16.620 -6.319 215 HZ3 LYS 25 HZ3 LYS 25 18.183 18.238 -5.990 216 H LEU 26 H LEU 26 12.122 13.866 -6.634 217 HA LEU 26 HA LEU 26 10.241 13.176 -4.633 218 HB2 LEU 26 HB2 LEU 26 10.783 12.608 -7.553 219 HB3 LEU 26 HB3 LEU 26 9.718 11.525 -6.708 220 HG LEU 26 HG LEU 26 8.457 13.028 -7.847 221 HD11 LEU 26 HD11 LEU 26 6.938 13.774 -6.177 222 HD12 LEU 26 HD12 LEU 26 8.229 13.998 -4.980 223 HD13 LEU 26 HD13 LEU 26 7.754 12.366 -5.490 224 HD21 LEU 26 HD21 LEU 26 8.378 15.470 -7.419 225 HD22 LEU 26 HD22 LEU 26 9.918 14.940 -8.102 226 HD23 LEU 26 HD23 LEU 26 9.808 15.312 -6.370 227 H GLU 27 H GLU 27 12.431 11.035 -6.383 228 HA GLU 27 HA GLU 27 12.010 8.727 -4.677 229 HB2 GLU 27 HB2 GLU 27 13.730 9.513 -6.984 230 HB3 GLU 27 HB3 GLU 27 14.442 8.320 -5.912 231 HG2 GLU 27 HG2 GLU 27 12.586 6.828 -6.119 232 HG3 GLU 27 HG3 GLU 27 11.601 8.027 -6.936 233 H HIS 28 H HIS 28 14.421 11.364 -4.416 234 HA HIS 28 HA HIS 28 15.830 10.186 -2.204 235 HB2 HIS 28 HB2 HIS 28 16.693 12.145 -3.364 236 HB3 HIS 28 HB3 HIS 28 15.304 13.111 -2.857 237 HD1 HIS 28 HD1 HIS 28 16.531 11.138 0.022 238 HD2 HIS 28 HD2 HIS 28 17.127 14.841 -1.802 239 HE1 HIS 28 HE1 HIS 28 17.937 12.522 1.666 240 H GLU 29 H GLU 29 12.917 12.251 -2.348 241 HA GLU 29 HA GLU 29 12.595 12.565 0.457 242 HB2 GLU 29 HB2 GLU 29 11.060 13.133 -2.056 243 HB3 GLU 29 HB3 GLU 29 10.138 12.946 -0.596 244 HG2 GLU 29 HG2 GLU 29 10.456 15.193 -0.552 245 HG3 GLU 29 HG3 GLU 29 11.782 14.682 0.469 246 H PHE 30 H PHE 30 11.203 10.305 -1.852 247 HA PHE 30 HA PHE 30 9.904 8.707 0.324 248 HB2 PHE 30 HB2 PHE 30 8.905 9.088 -2.500 249 HB3 PHE 30 HB3 PHE 30 8.023 8.440 -1.120 250 HD1 PHE 30 HD2 PHE 30 8.030 10.258 0.978 251 HD2 PHE 30 HD1 PHE 30 8.356 11.231 -3.198 252 HE1 PHE 30 HE2 PHE 30 7.400 12.593 1.461 253 HE2 PHE 30 HE1 PHE 30 7.678 13.563 -2.724 254 HZ PHE 30 HZ PHE 30 7.206 14.262 -0.400 255 HA PRO 31 HA PRO 31 12.821 6.379 -2.626 256 HB2 PRO 31 HB2 PRO 31 14.519 5.099 -0.869 257 HB3 PRO 31 HB3 PRO 31 14.781 6.729 -1.552 258 HG2 PRO 31 HG2 PRO 31 13.569 6.005 1.136 259 HG3 PRO 31 HG3 PRO 31 14.796 7.267 0.778 260 HD2 PRO 31 HD2 PRO 31 12.184 7.918 1.067 261 HD3 PRO 31 HD3 PRO 31 13.178 8.677 -0.214 262 H GLY 32 H GLY 32 12.278 4.591 -3.435 263 HA2 GLY 32 HA2 GLY 32 11.089 2.643 -3.924 264 HA3 GLY 32 HA3 GLY 32 11.663 2.060 -2.361 265 H CYS 33 H CYS 33 9.781 4.664 -1.520 266 HA CYS 33 HA CYS 33 7.353 3.135 -1.137 267 HB2 CYS 33 HB2 CYS 33 7.731 6.065 -0.611 268 HB3 CYS 33 HB3 CYS 33 6.660 4.899 0.188 269 HG CYS 33 HG CYS 33 9.961 4.607 0.376 270 H LEU 34 H LEU 34 8.848 4.944 -3.566 271 HA LEU 34 HA LEU 34 6.328 5.546 -5.002 272 HB2 LEU 34 HB2 LEU 34 8.396 7.424 -4.018 273 HB3 LEU 34 HB3 LEU 34 8.319 7.393 -5.790 274 HG LEU 34 HG LEU 34 5.829 7.544 -5.546 275 HD11 LEU 34 HD11 LEU 34 5.707 7.253 -3.077 276 HD12 LEU 34 HD12 LEU 34 4.922 8.747 -3.624 277 HD13 LEU 34 HD13 LEU 34 6.523 8.815 -2.883 278 HD21 LEU 34 HD21 LEU 34 7.213 9.307 -6.498 279 HD22 LEU 34 HD22 LEU 34 7.537 9.952 -4.874 280 HD23 LEU 34 HD23 LEU 34 5.887 10.001 -5.563 281 H ASP 35 H ASP 35 6.423 5.731 -7.140 282 HA ASP 35 HA ASP 35 8.884 5.017 -8.698 283 HB2 ASP 35 HB2 ASP 35 7.329 3.211 -8.953 284 HB3 ASP 35 HB3 ASP 35 6.012 4.358 -8.920 285 H ILE 36 H ILE 36 9.316 6.409 -10.181 286 HA ILE 36 HA ILE 36 7.304 8.087 -11.423 287 HB ILE 36 HB ILE 36 9.902 9.310 -10.922 288 HG12 ILE 36 HG12 ILE 36 8.550 10.917 -9.208 289 HG13 ILE 36 HG13 ILE 36 7.851 9.347 -8.824 290 HG21 ILE 36 HG21 ILE 36 8.857 11.445 -11.509 291 HG22 ILE 36 HG22 ILE 36 8.527 10.229 -12.746 292 HG23 ILE 36 HG23 ILE 36 7.273 10.662 -11.576 293 HD11 ILE 36 HD11 ILE 36 10.815 10.178 -8.806 294 HD12 ILE 36 HD12 ILE 36 9.822 9.559 -7.443 295 HD13 ILE 36 HD13 ILE 36 10.299 8.483 -8.738 296 H CYS 37 H CYS 37 7.430 7.497 -13.271 297 HA CYS 37 HA CYS 37 9.998 7.234 -14.829 298 HB2 CYS 37 HB2 CYS 37 7.409 5.738 -15.226 299 HB3 CYS 37 HB3 CYS 37 8.722 5.759 -16.408 300 HG CYS 37 HG CYS 37 8.774 4.688 -13.230 301 H GLY 38 H GLY 38 9.458 7.598 -17.259 302 HA2 GLY 38 HA2 GLY 38 7.584 9.857 -17.660 303 HA3 GLY 38 HA3 GLY 38 9.268 10.058 -18.149 304 H GLU 39 H GLU 39 7.591 10.405 -20.123 305 HA GLU 39 HA GLU 39 7.364 8.159 -21.911 306 HB2 GLU 39 HB2 GLU 39 5.328 7.790 -20.962 307 HB3 GLU 39 HB3 GLU 39 5.253 9.361 -20.177 308 HG2 GLU 39 HG2 GLU 39 3.433 9.033 -21.769 309 HG3 GLU 39 HG3 GLU 39 4.431 10.442 -22.108 310 H GLY 40 H GLY 40 7.180 8.900 -23.827 311 HA2 GLY 40 HA2 GLY 40 7.308 11.710 -24.693 312 HA3 GLY 40 HA3 GLY 40 8.860 10.885 -24.842 313 H THR 41 H THR 41 5.425 10.051 -25.629 314 HA THR 41 HA THR 41 5.827 8.414 -27.708 315 HB THR 41 HB THR 41 3.719 8.687 -26.734 316 HG1 THR 41 HG1 THR 41 2.574 8.423 -28.518 317 HG21 THR 41 HG21 THR 41 3.540 11.164 -26.494 318 HG22 THR 41 HG22 THR 41 2.125 10.438 -27.257 319 HG23 THR 41 HG23 THR 41 3.312 11.302 -28.254 320 HA PRO 42 HA PRO 42 7.698 11.026 -30.836 321 HB2 PRO 42 HB2 PRO 42 8.416 9.149 -32.652 322 HB3 PRO 42 HB3 PRO 42 9.115 9.178 -31.007 323 HG2 PRO 42 HG2 PRO 42 6.775 7.498 -31.980 324 HG3 PRO 42 HG3 PRO 42 8.252 6.940 -31.125 325 HD2 PRO 42 HD2 PRO 42 5.909 7.503 -29.819 326 HD3 PRO 42 HD3 PRO 42 7.501 7.823 -29.068 327 H GLN 43 H GLN 43 5.193 11.541 -30.779 328 HA GLN 43 HA GLN 43 4.028 11.420 -33.538 329 HB2 GLN 43 HB2 GLN 43 2.572 10.922 -30.898 330 HB3 GLN 43 HB3 GLN 43 1.795 11.059 -32.474 331 HG2 GLN 43 HG2 GLN 43 3.808 8.869 -31.752 332 HG3 GLN 43 HG3 GLN 43 2.065 8.720 -31.609 333 HE21 GLN 43 HE21 GLN 43 4.696 9.226 -34.061 334 HE22 GLN 43 HE22 GLN 43 3.642 8.584 -35.339 335 H VAL 44 H VAL 44 3.621 12.899 -30.312 336 HA VAL 44 HA VAL 44 3.749 15.588 -31.524 337 HB VAL 44 HB VAL 44 1.380 14.927 -29.732 338 HG11 VAL 44 HG11 VAL 44 2.146 17.455 -31.262 339 HG12 VAL 44 HG12 VAL 44 0.652 17.221 -30.333 340 HG13 VAL 44 HG13 VAL 44 2.202 17.260 -29.497 341 HG21 VAL 44 HG21 VAL 44 1.414 15.489 -32.722 342 HG22 VAL 44 HG22 VAL 44 0.930 13.970 -31.937 343 HG23 VAL 44 HG23 VAL 44 -0.039 15.424 -31.701 344 H THR 45 H THR 45 2.794 14.366 -28.300 345 HA THR 45 HA THR 45 3.221 15.139 -26.234 346 HB THR 45 HB THR 45 5.506 15.419 -25.419 347 HG1 THR 45 HG1 THR 45 6.042 15.248 -28.173 348 HG21 THR 45 HG21 THR 45 4.593 13.145 -25.507 349 HG22 THR 45 HG22 THR 45 6.327 13.167 -25.874 350 HG23 THR 45 HG23 THR 45 5.158 12.970 -27.186 351 H GLY 46 H GLY 46 5.832 17.239 -27.011 352 HA2 GLY 46 HA2 GLY 46 6.118 19.535 -27.000 353 HA3 GLY 46 HA3 GLY 46 4.424 19.707 -27.493 354 H PHE 47 H PHE 47 2.985 18.873 -25.513 355 HA PHE 47 HA PHE 47 3.103 20.647 -23.260 356 HB2 PHE 47 HB2 PHE 47 1.750 17.937 -23.477 357 HB3 PHE 47 HB3 PHE 47 1.262 19.298 -22.468 358 HD1 PHE 47 HD2 PHE 47 1.455 21.493 -24.714 359 HD2 PHE 47 HD1 PHE 47 -0.288 17.544 -24.606 360 HE1 PHE 47 HE2 PHE 47 -0.183 22.168 -26.433 361 HE2 PHE 47 HE1 PHE 47 -1.929 18.236 -26.344 362 HZ PHE 47 HZ PHE 47 -1.881 20.548 -27.247 363 H PHE 48 H PHE 48 3.494 20.092 -21.064 364 HA PHE 48 HA PHE 48 5.330 17.819 -20.493 365 HB2 PHE 48 HB2 PHE 48 6.462 20.111 -20.637 366 HB3 PHE 48 HB3 PHE 48 5.589 20.526 -19.171 367 HD1 PHE 48 HD2 PHE 48 5.810 18.196 -17.383 368 HD2 PHE 48 HD1 PHE 48 8.719 19.848 -20.114 369 HE1 PHE 48 HE2 PHE 48 7.614 17.309 -15.997 370 HE2 PHE 48 HE1 PHE 48 10.530 18.938 -18.718 371 HZ PHE 48 HZ PHE 48 9.991 17.683 -16.627 372 H GLU 49 H GLU 49 3.864 16.450 -19.430 373 HA GLU 49 HA GLU 49 1.910 17.654 -17.560 374 HB2 GLU 49 HB2 GLU 49 1.706 15.182 -19.315 375 HB3 GLU 49 HB3 GLU 49 0.426 16.068 -18.528 376 HG2 GLU 49 HG2 GLU 49 2.040 17.168 -20.887 377 HG3 GLU 49 HG3 GLU 49 0.567 16.251 -21.030 378 H VAL 50 H VAL 50 1.749 16.618 -15.485 379 HA VAL 50 HA VAL 50 3.303 14.037 -15.113 380 HB VAL 50 HB VAL 50 3.002 16.242 -13.068 381 HG11 VAL 50 HG11 VAL 50 4.679 14.900 -11.776 382 HG12 VAL 50 HG12 VAL 50 3.117 14.105 -11.934 383 HG13 VAL 50 HG13 VAL 50 4.474 13.588 -12.953 384 HG21 VAL 50 HG21 VAL 50 4.694 16.736 -14.940 385 HG22 VAL 50 HG22 VAL 50 5.353 16.691 -13.298 386 HG23 VAL 50 HG23 VAL 50 5.582 15.315 -14.386 387 H THR 51 H THR 51 2.166 12.332 -14.406 388 HA THR 51 HA THR 51 -0.399 12.805 -12.996 389 HB THR 51 HB THR 51 -0.200 10.184 -14.223 390 HG1 THR 51 HG1 THR 51 -0.035 12.275 -16.092 391 HG21 THR 51 HG21 THR 51 -2.037 12.504 -14.858 392 HG22 THR 51 HG22 THR 51 -2.283 11.273 -13.594 393 HG23 THR 51 HG23 THR 51 -2.284 10.796 -15.301 394 H VAL 52 H VAL 52 -0.538 11.870 -10.977 395 HA VAL 52 HA VAL 52 1.251 9.625 -10.211 396 HB VAL 52 HB VAL 52 1.884 11.535 -8.941 397 HG11 VAL 52 HG11 VAL 52 -1.021 12.036 -8.199 398 HG12 VAL 52 HG12 VAL 52 0.390 12.870 -7.534 399 HG13 VAL 52 HG13 VAL 52 -0.002 13.048 -9.245 400 HG21 VAL 52 HG21 VAL 52 1.435 10.829 -6.667 401 HG22 VAL 52 HG22 VAL 52 -0.021 9.961 -7.151 402 HG23 VAL 52 HG23 VAL 52 1.573 9.386 -7.675 403 H ALA 53 H ALA 53 0.264 7.805 -9.656 404 HA ALA 53 HA ALA 53 -1.442 6.244 -9.688 405 HB1 ALA 53 HB1 ALA 53 -1.212 6.931 -7.335 406 HB2 ALA 53 HB2 ALA 53 -2.503 8.131 -7.556 407 HB3 ALA 53 HB3 ALA 53 -2.862 6.399 -7.710 408 H GLY 54 H GLY 54 -1.882 8.182 -11.773 409 HA2 GLY 54 HA2 GLY 54 -3.543 8.447 -13.442 410 HA3 GLY 54 HA3 GLY 54 -4.731 7.715 -12.357 411 H LYS 55 H LYS 55 -2.900 10.409 -11.088 412 HA LYS 55 HA LYS 55 -5.141 12.339 -11.482 413 HB2 LYS 55 HB2 LYS 55 -3.313 12.207 -9.146 414 HB3 LYS 55 HB3 LYS 55 -4.791 13.139 -9.281 415 HG2 LYS 55 HG2 LYS 55 -4.556 10.098 -9.047 416 HG3 LYS 55 HG3 LYS 55 -4.995 11.213 -7.753 417 HD2 LYS 55 HD2 LYS 55 -7.085 11.784 -8.819 418 HD3 LYS 55 HD3 LYS 55 -6.621 10.951 -10.317 419 HE2 LYS 55 HE2 LYS 55 -6.436 8.805 -9.034 420 HE3 LYS 55 HE3 LYS 55 -7.073 9.638 -7.607 421 HZ1 LYS 55 HZ1 LYS 55 -9.087 10.130 -8.900 422 HZ2 LYS 55 HZ2 LYS 55 -8.827 8.504 -8.839 423 HZ3 LYS 55 HZ3 LYS 55 -8.478 9.341 -10.207 424 H LEU 56 H LEU 56 -4.488 13.990 -12.780 425 HA LEU 56 HA LEU 56 -1.673 14.588 -13.195 426 HB2 LEU 56 HB2 LEU 56 -3.116 14.742 -14.980 427 HB3 LEU 56 HB3 LEU 56 -4.204 15.908 -14.198 428 HG LEU 56 HG LEU 56 -1.303 16.663 -14.493 429 HD11 LEU 56 HD11 LEU 56 -1.744 15.583 -16.655 430 HD12 LEU 56 HD12 LEU 56 -1.577 17.328 -16.841 431 HD13 LEU 56 HD13 LEU 56 -3.195 16.593 -16.875 432 HD21 LEU 56 HD21 LEU 56 -3.005 18.228 -13.527 433 HD22 LEU 56 HD22 LEU 56 -3.891 18.179 -15.066 434 HD23 LEU 56 HD23 LEU 56 -2.248 18.865 -14.992 435 H VAL 57 H VAL 57 -0.458 15.823 -12.260 436 HA VAL 57 HA VAL 57 -1.422 17.864 -10.223 437 HB VAL 57 HB VAL 57 0.899 15.931 -10.113 438 HG11 VAL 57 HG11 VAL 57 1.478 16.924 -7.900 439 HG12 VAL 57 HG12 VAL 57 1.813 18.020 -9.242 440 HG13 VAL 57 HG13 VAL 57 0.366 18.269 -8.229 441 HG21 VAL 57 HG21 VAL 57 -1.320 15.103 -9.321 442 HG22 VAL 57 HG22 VAL 57 -0.206 15.286 -7.959 443 HG23 VAL 57 HG23 VAL 57 -1.466 16.503 -8.245 444 H HIS 58 H HIS 58 0.589 17.296 -12.974 445 HA HIS 58 HA HIS 58 1.168 20.231 -13.007 446 HB2 HIS 58 HB2 HIS 58 3.188 18.781 -12.408 447 HB3 HIS 58 HB3 HIS 58 3.021 18.128 -14.048 448 HD1 HIS 58 HD1 HIS 58 2.939 21.932 -13.202 449 HD2 HIS 58 HD2 HIS 58 4.891 18.963 -15.496 450 HE1 HIS 58 HE1 HIS 58 4.311 23.123 -15.004 451 H SER 59 H SER 59 1.103 21.141 -14.916 452 HA SER 59 HA SER 59 1.192 19.762 -17.424 453 HB2 SER 59 HB2 SER 59 -1.184 19.566 -16.819 454 HB3 SER 59 HB3 SER 59 -1.323 21.312 -16.688 455 HG SER 59 HG SER 59 -0.458 20.005 -19.068 456 H LYS 60 H LYS 60 2.840 21.164 -18.241 457 HA LYS 60 HA LYS 60 2.636 24.080 -18.076 458 HB2 LYS 60 HB2 LYS 60 4.185 22.102 -19.737 459 HB3 LYS 60 HB3 LYS 60 4.074 23.758 -20.308 460 HG2 LYS 60 HG2 LYS 60 4.910 23.171 -17.460 461 HG3 LYS 60 HG3 LYS 60 6.075 23.105 -18.785 462 HD2 LYS 60 HD2 LYS 60 5.856 25.420 -19.279 463 HD3 LYS 60 HD3 LYS 60 4.390 25.599 -18.276 464 HE2 LYS 60 HE2 LYS 60 5.633 25.132 -16.252 465 HE3 LYS 60 HE3 LYS 60 7.047 24.673 -17.165 466 HZ1 LYS 60 HZ1 LYS 60 7.495 26.929 -17.689 467 HZ2 LYS 60 HZ2 LYS 60 7.103 26.962 -16.106 468 HZ3 LYS 60 HZ3 LYS 60 6.014 27.464 -17.182 469 H LYS 61 H LYS 61 1.025 21.705 -20.098 470 HA LYS 61 HA LYS 61 0.066 23.599 -22.095 471 HB2 LYS 61 HB2 LYS 61 0.157 21.289 -22.529 472 HB3 LYS 61 HB3 LYS 61 -0.879 20.869 -21.181 473 HG2 LYS 61 HG2 LYS 61 -1.897 22.630 -23.453 474 HG3 LYS 61 HG3 LYS 61 -1.777 20.895 -23.658 475 HD2 LYS 61 HD2 LYS 61 -3.579 22.350 -21.704 476 HD3 LYS 61 HD3 LYS 61 -4.028 21.362 -23.086 477 HE2 LYS 61 HE2 LYS 61 -2.809 20.447 -20.459 478 HE3 LYS 61 HE3 LYS 61 -4.424 20.071 -21.063 479 HZ1 LYS 61 HZ1 LYS 61 -2.012 19.259 -22.546 480 HZ2 LYS 61 HZ2 LYS 61 -3.494 18.510 -22.566 481 HZ3 LYS 61 HZ3 LYS 61 -2.432 18.415 -21.279 482 H ARG 62 H ARG 62 -1.397 22.540 -18.967 483 HA ARG 62 HA ARG 62 -3.682 24.292 -19.360 484 HB2 ARG 62 HB2 ARG 62 -4.468 23.485 -17.442 485 HB3 ARG 62 HB3 ARG 62 -3.297 22.200 -17.706 486 HG2 ARG 62 HG2 ARG 62 -1.711 23.465 -16.193 487 HG3 ARG 62 HG3 ARG 62 -2.997 24.647 -15.888 488 HD2 ARG 62 HD2 ARG 62 -4.400 22.929 -14.893 489 HD3 ARG 62 HD3 ARG 62 -3.120 21.712 -15.156 490 HE ARG 62 HE ARG 62 -1.810 23.750 -13.887 491 HH11 ARG 62 HH11 ARG 62 -4.755 22.155 -12.958 492 HH12 ARG 62 HH12 ARG 62 -4.533 22.438 -11.252 493 HH21 ARG 62 HH21 ARG 62 -1.403 23.858 -11.605 494 HH22 ARG 62 HH22 ARG 62 -2.699 23.407 -10.555 495 H GLY 63 H GLY 63 -0.475 24.934 -18.337 496 HA2 GLY 63 HA2 GLY 63 0.455 27.055 -17.924 497 HA3 GLY 63 HA3 GLY 63 -1.157 27.759 -17.667 498 H ASP 64 H ASP 64 0.089 24.775 -16.182 499 HA ASP 64 HA ASP 64 -0.346 25.680 -13.461 500 HB2 ASP 64 HB2 ASP 64 -0.173 23.234 -14.206 501 HB3 ASP 64 HB3 ASP 64 1.546 23.504 -14.440 502 H GLY 65 H GLY 65 2.486 25.577 -15.553 503 HA2 GLY 65 HA2 GLY 65 4.661 26.520 -15.216 504 HA3 GLY 65 HA3 GLY 65 4.156 27.158 -13.653 505 H TYR 66 H TYR 66 6.557 25.754 -14.248 506 HA TYR 66 HA TYR 66 6.700 22.965 -13.453 507 HB2 TYR 66 HB2 TYR 66 8.770 25.205 -13.667 508 HB3 TYR 66 HB3 TYR 66 9.144 23.500 -13.495 509 HD1 TYR 66 HD1 TYR 66 7.624 22.029 -15.414 510 HD2 TYR 66 HD2 TYR 66 9.695 25.815 -15.691 511 HE1 TYR 66 HE1 TYR 66 8.084 21.598 -17.797 512 HE2 TYR 66 HE2 TYR 66 10.129 25.381 -18.119 513 HH TYR 66 HH TYR 66 9.134 22.347 -19.671 514 H VAL 67 H VAL 67 8.946 23.149 -11.770 515 HA VAL 67 HA VAL 67 8.309 24.442 -9.227 516 HB VAL 67 HB VAL 67 10.436 24.146 -8.649 517 HG11 VAL 67 HG11 VAL 67 9.660 21.501 -10.028 518 HG12 VAL 67 HG12 VAL 67 10.525 21.678 -8.492 519 HG13 VAL 67 HG13 VAL 67 8.811 22.144 -8.623 520 HG21 VAL 67 HG21 VAL 67 11.116 22.873 -11.374 521 HG22 VAL 67 HG22 VAL 67 11.834 24.353 -10.719 522 HG23 VAL 67 HG23 VAL 67 12.182 22.810 -9.958 523 H ASP 68 H ASP 68 7.755 26.018 -11.039 524 HA ASP 68 HA ASP 68 9.592 28.172 -11.805 525 HB2 ASP 68 HB2 ASP 68 6.663 27.676 -11.885 526 HB3 ASP 68 HB3 ASP 68 7.283 29.290 -12.120 527 H THR 69 H THR 69 8.495 27.207 -8.863 528 HA THR 69 HA THR 69 9.617 29.485 -7.494 529 HB THR 69 HB THR 69 6.922 28.793 -6.465 530 HG1 THR 69 HG1 THR 69 7.451 30.382 -8.697 531 HG21 THR 69 HG21 THR 69 6.830 31.062 -5.661 532 HG22 THR 69 HG22 THR 69 8.467 31.364 -6.294 533 HG23 THR 69 HG23 THR 69 8.191 30.169 -4.989 534 H GLU 70 H GLU 70 9.732 28.993 -5.165 535 HA GLU 70 HA GLU 70 10.381 26.272 -4.451 536 HB2 GLU 70 HB2 GLU 70 10.776 28.707 -3.305 537 HB3 GLU 70 HB3 GLU 70 9.423 28.232 -2.326 538 HG2 GLU 70 HG2 GLU 70 11.804 26.362 -2.667 539 HG3 GLU 70 HG3 GLU 70 11.847 27.704 -1.533 540 H SER 71 H SER 71 7.727 28.276 -3.710 541 HA SER 71 HA SER 71 5.953 26.468 -2.376 542 HB2 SER 71 HB2 SER 71 5.664 28.952 -2.688 543 HB3 SER 71 HB3 SER 71 5.070 28.646 -4.326 544 HG SER 71 HG SER 71 3.447 28.810 -2.556 545 H LYS 72 H LYS 72 6.529 26.930 -5.736 546 HA LYS 72 HA LYS 72 4.281 25.409 -6.773 547 HB2 LYS 72 HB2 LYS 72 6.672 26.978 -7.701 548 HB3 LYS 72 HB3 LYS 72 6.203 25.778 -8.830 549 HG2 LYS 72 HG2 LYS 72 4.147 27.771 -7.753 550 HG3 LYS 72 HG3 LYS 72 5.397 28.346 -8.859 551 HD2 LYS 72 HD2 LYS 72 3.433 27.832 -10.146 552 HD3 LYS 72 HD3 LYS 72 4.764 26.738 -10.563 553 HE2 LYS 72 HE2 LYS 72 3.798 25.145 -8.806 554 HE3 LYS 72 HE3 LYS 72 2.360 26.205 -8.788 555 HZ1 LYS 72 HZ1 LYS 72 1.891 24.565 -10.519 556 HZ2 LYS 72 HZ2 LYS 72 3.414 24.724 -11.173 557 HZ3 LYS 72 HZ3 LYS 72 2.331 25.901 -11.255 558 H PHE 73 H PHE 73 7.625 24.765 -6.211 559 HA PHE 73 HA PHE 73 7.462 21.896 -6.877 560 HB2 PHE 73 HB2 PHE 73 9.670 23.119 -6.687 561 HB3 PHE 73 HB3 PHE 73 9.363 23.383 -5.007 562 HD1 PHE 73 HD1 PHE 73 8.884 20.169 -6.988 563 HD2 PHE 73 HD2 PHE 73 11.041 22.249 -3.868 564 HE1 PHE 73 HE1 PHE 73 9.966 18.052 -6.308 565 HE2 PHE 73 HE2 PHE 73 12.125 20.109 -3.220 566 HZ PHE 73 HZ PHE 73 11.539 18.018 -4.380 567 H ARG 74 H ARG 74 7.522 23.600 -3.748 568 HA ARG 74 HA ARG 74 7.168 21.471 -2.033 569 HB2 ARG 74 HB2 ARG 74 7.832 23.850 -1.533 570 HB3 ARG 74 HB3 ARG 74 6.118 24.293 -1.593 571 HG2 ARG 74 HG2 ARG 74 5.673 22.712 0.274 572 HG3 ARG 74 HG3 ARG 74 7.388 22.301 0.353 573 HD2 ARG 74 HD2 ARG 74 6.330 25.142 0.698 574 HD3 ARG 74 HD3 ARG 74 6.425 23.996 2.032 575 HE ARG 74 HE ARG 74 8.817 24.938 0.451 576 HH11 ARG 74 HH11 ARG 74 7.420 24.482 3.628 577 HH12 ARG 74 HH12 ARG 74 8.942 24.815 4.425 578 HH21 ARG 74 HH21 ARG 74 10.654 25.288 1.517 579 HH22 ARG 74 HH22 ARG 74 10.761 25.258 3.258 580 H LYS 75 H LYS 75 4.589 23.102 -3.809 581 HA LYS 75 HA LYS 75 2.340 22.050 -2.426 582 HB2 LYS 75 HB2 LYS 75 1.081 22.823 -4.335 583 HB3 LYS 75 HB3 LYS 75 2.360 23.959 -4.010 584 HG2 LYS 75 HG2 LYS 75 2.437 23.874 -6.283 585 HG3 LYS 75 HG3 LYS 75 3.651 22.647 -5.895 586 HD2 LYS 75 HD2 LYS 75 2.134 20.864 -6.445 587 HD3 LYS 75 HD3 LYS 75 0.737 21.948 -6.422 588 HE2 LYS 75 HE2 LYS 75 1.115 21.500 -8.702 589 HE3 LYS 75 HE3 LYS 75 1.672 23.147 -8.415 590 HZ1 LYS 75 HZ1 LYS 75 3.371 20.737 -8.679 591 HZ2 LYS 75 HZ2 LYS 75 3.974 22.229 -8.320 592 HZ3 LYS 75 HZ3 LYS 75 3.230 21.946 -9.769 593 H LEU 76 H LEU 76 4.491 20.661 -4.787 594 HA LEU 76 HA LEU 76 2.859 18.216 -5.107 595 HB2 LEU 76 HB2 LEU 76 4.200 19.373 -6.954 596 HB3 LEU 76 HB3 LEU 76 5.680 18.907 -6.135 597 HG LEU 76 HG LEU 76 3.684 16.794 -7.005 598 HD11 LEU 76 HD11 LEU 76 5.948 17.979 -8.683 599 HD12 LEU 76 HD12 LEU 76 4.209 18.176 -9.010 600 HD13 LEU 76 HD13 LEU 76 4.946 16.578 -9.113 601 HD21 LEU 76 HD21 LEU 76 5.783 15.450 -7.184 602 HD22 LEU 76 HD22 LEU 76 5.539 16.052 -5.541 603 HD23 LEU 76 HD23 LEU 76 6.714 16.844 -6.594 604 H VAL 77 H VAL 77 5.908 19.175 -3.738 605 HA VAL 77 HA VAL 77 6.636 16.602 -2.678 606 HB VAL 77 HB VAL 77 7.198 19.258 -1.251 607 HG11 VAL 77 HG11 VAL 77 7.787 17.295 0.127 608 HG12 VAL 77 HG12 VAL 77 8.706 16.612 -1.234 609 HG13 VAL 77 HG13 VAL 77 9.256 18.094 -0.448 610 HG21 VAL 77 HG21 VAL 77 7.981 19.435 -3.591 611 HG22 VAL 77 HG22 VAL 77 9.333 19.322 -2.466 612 HG23 VAL 77 HG23 VAL 77 8.853 17.897 -3.402 613 H THR 78 H THR 78 4.676 19.112 -1.226 614 HA THR 78 HA THR 78 4.200 17.642 1.177 615 HB THR 78 HB THR 78 2.511 19.898 -0.005 616 HG1 THR 78 HG1 THR 78 4.492 20.660 0.192 617 HG21 THR 78 HG21 THR 78 1.980 20.412 2.370 618 HG22 THR 78 HG22 THR 78 2.877 18.969 2.886 619 HG23 THR 78 HG23 THR 78 1.389 18.806 1.919 620 H ALA 79 H ALA 79 2.549 17.705 -1.919 621 HA ALA 79 HA ALA 79 0.247 16.303 -0.718 622 HB1 ALA 79 HB1 ALA 79 -0.140 17.975 -2.521 623 HB2 ALA 79 HB2 ALA 79 0.859 17.004 -3.630 624 HB3 ALA 79 HB3 ALA 79 -0.684 16.361 -3.022 625 H ILE 80 H ILE 80 3.134 15.479 -2.386 626 HA ILE 80 HA ILE 80 2.254 12.699 -2.963 627 HB ILE 80 HB ILE 80 4.965 14.049 -3.113 628 HG12 ILE 80 HG12 ILE 80 3.363 14.799 -4.857 629 HG13 ILE 80 HG13 ILE 80 4.741 13.913 -5.501 630 HG21 ILE 80 HG21 ILE 80 4.177 11.194 -3.858 631 HG22 ILE 80 HG22 ILE 80 5.704 11.989 -4.321 632 HG23 ILE 80 HG23 ILE 80 5.340 11.691 -2.627 633 HD11 ILE 80 HD11 ILE 80 1.939 12.784 -5.168 634 HD12 ILE 80 HD12 ILE 80 2.670 13.370 -6.671 635 HD13 ILE 80 HD13 ILE 80 3.341 11.939 -5.881 636 H LYS 81 H LYS 81 3.924 14.494 -0.378 637 HA LYS 81 HA LYS 81 4.830 12.077 0.972 638 HB2 LYS 81 HB2 LYS 81 5.706 14.426 1.284 639 HB3 LYS 81 HB3 LYS 81 4.224 14.873 2.092 640 HG2 LYS 81 HG2 LYS 81 5.719 12.448 3.134 641 HG3 LYS 81 HG3 LYS 81 6.463 14.023 3.402 642 HD2 LYS 81 HD2 LYS 81 3.597 13.376 4.216 643 HD3 LYS 81 HD3 LYS 81 4.973 13.188 5.290 644 HE2 LYS 81 HE2 LYS 81 4.590 15.820 3.832 645 HE3 LYS 81 HE3 LYS 81 3.521 15.434 5.174 646 HZ1 LYS 81 HZ1 LYS 81 6.500 15.498 5.280 647 HZ2 LYS 81 HZ2 LYS 81 5.534 15.109 6.557 648 HZ3 LYS 81 HZ3 LYS 81 5.504 16.626 5.934 649 H ALA 82 H ALA 82 2.098 14.168 1.142 650 HA ALA 82 HA ALA 82 0.707 12.966 3.382 651 HB1 ALA 82 HB1 ALA 82 -1.244 14.273 2.588 652 HB2 ALA 82 HB2 ALA 82 0.227 15.263 2.606 653 HB3 ALA 82 HB3 ALA 82 -0.400 14.630 1.068 654 H ALA 83 H ALA 83 0.229 12.541 -0.163 655 HA ALA 83 HA ALA 83 -1.682 10.427 0.073 656 HB1 ALA 83 HB1 ALA 83 -1.118 9.979 -2.284 657 HB2 ALA 83 HB2 ALA 83 -1.306 11.721 -2.003 658 HB3 ALA 83 HB3 ALA 83 0.320 11.016 -2.147 659 H LEU 84 H LEU 84 1.802 10.403 0.011 660 HA LEU 84 HA LEU 84 2.092 7.550 -0.187 661 HB2 LEU 84 HB2 LEU 84 3.897 9.263 -0.620 662 HB3 LEU 84 HB3 LEU 84 4.055 9.526 1.107 663 HG LEU 84 HG LEU 84 5.737 8.135 -0.078 664 HD11 LEU 84 HD11 LEU 84 5.354 7.958 2.414 665 HD12 LEU 84 HD12 LEU 84 6.098 6.547 1.661 666 HD13 LEU 84 HD13 LEU 84 4.390 6.496 2.097 667 HD21 LEU 84 HD21 LEU 84 3.976 6.950 -1.512 668 HD22 LEU 84 HD22 LEU 84 3.641 5.914 -0.105 669 HD23 LEU 84 HD23 LEU 84 5.236 5.935 -0.848 670 H ALA 85 H ALA 85 2.259 9.707 2.558 671 HA ALA 85 HA ALA 85 2.560 7.724 4.550 672 HB1 ALA 85 HB1 ALA 85 1.245 10.462 4.823 673 HB2 ALA 85 HB2 ALA 85 1.894 9.487 6.162 674 HB3 ALA 85 HB3 ALA 85 2.995 10.134 4.924 675 H GLN 86 H GLN 86 -0.305 8.423 2.885 676 HA GLN 86 HA GLN 86 -1.862 6.827 4.908 677 HB2 GLN 86 HB2 GLN 86 -3.926 7.530 4.038 678 HB3 GLN 86 HB3 GLN 86 -2.909 8.919 4.359 679 HG2 GLN 86 HG2 GLN 86 -3.950 9.500 2.382 680 HG3 GLN 86 HG3 GLN 86 -2.389 8.941 1.828 681 HE21 GLN 86 HE21 GLN 86 -5.866 7.892 2.240 682 HE22 GLN 86 HE22 GLN 86 -5.694 6.761 0.875 683 H CYS 87 H CYS 87 -0.741 6.633 1.675 684 HA CYS 87 HA CYS 87 -1.735 3.967 1.107 685 HB2 CYS 87 HB2 CYS 87 -0.710 5.854 -0.406 686 HB3 CYS 87 HB3 CYS 87 0.847 5.117 0.007 687 HG CYS 87 HG CYS 87 -1.853 3.538 -1.198 688 H GLN 88 H GLN 88 1.044 5.170 2.903 689 HA GLN 88 HA GLN 88 2.296 2.594 3.178 690 HB2 GLN 88 HB2 GLN 88 3.311 4.951 3.570 691 HB3 GLN 88 HB3 GLN 88 2.674 4.816 5.214 692 HG2 GLN 88 HG2 GLN 88 4.150 2.376 4.447 693 HG3 GLN 88 HG3 GLN 88 5.115 3.813 4.124 694 HE21 GLN 88 HE21 GLN 88 3.296 2.160 6.787 695 HE22 GLN 88 HE22 GLN 88 4.375 2.864 8.021 Start of MODEL 10 1 H1 MET 1 H1 MET 1 3.056 -0.316 1.352 2 H2 MET 1 H2 MET 1 1.986 -1.583 1.262 3 H3 MET 1 H3 MET 1 1.461 -0.057 1.070 4 HA MET 1 HA MET 1 3.049 -1.678 -0.766 5 HB2 MET 1 HB2 MET 1 1.390 -1.129 -2.394 6 HB3 MET 1 HB3 MET 1 0.522 -1.585 -0.925 7 HG2 MET 1 HG2 MET 1 0.292 0.853 -0.366 8 HG3 MET 1 HG3 MET 1 1.068 1.233 -1.905 9 HE1 MET 1 HE1 MET 1 -0.023 0.912 -4.293 10 HE2 MET 1 HE2 MET 1 -0.321 -0.820 -3.985 11 HE3 MET 1 HE3 MET 1 -1.643 0.224 -4.539 12 H ALA 2 H ALA 2 3.485 -0.244 -2.938 13 HA ALA 2 HA ALA 2 4.802 2.297 -2.128 14 HB1 ALA 2 HB1 ALA 2 6.126 2.026 -4.207 15 HB2 ALA 2 HB2 ALA 2 6.349 0.635 -3.134 16 HB3 ALA 2 HB3 ALA 2 5.286 0.512 -4.561 17 H LEU 3 H LEU 3 4.752 3.927 -4.069 18 HA LEU 3 HA LEU 3 2.111 3.946 -5.403 19 HB2 LEU 3 HB2 LEU 3 3.300 5.891 -3.716 20 HB3 LEU 3 HB3 LEU 3 3.712 6.412 -5.330 21 HG LEU 3 HG LEU 3 1.796 7.596 -4.693 22 HD11 LEU 3 HD11 LEU 3 1.622 6.746 -7.009 23 HD12 LEU 3 HD12 LEU 3 0.058 6.982 -6.225 24 HD13 LEU 3 HD13 LEU 3 0.698 5.339 -6.408 25 HD21 LEU 3 HD21 LEU 3 0.504 4.961 -3.908 26 HD22 LEU 3 HD22 LEU 3 -0.287 6.554 -3.871 27 HD23 LEU 3 HD23 LEU 3 1.096 6.230 -2.817 28 H ALA 4 H ALA 4 2.299 5.077 -7.498 29 HA ALA 4 HA ALA 4 4.859 4.774 -8.994 30 HB1 ALA 4 HB1 ALA 4 2.110 3.865 -9.949 31 HB2 ALA 4 HB2 ALA 4 3.615 3.839 -10.894 32 HB3 ALA 4 HB3 ALA 4 3.462 2.807 -9.464 33 H VAL 5 H VAL 5 5.444 6.718 -9.729 34 HA VAL 5 HA VAL 5 3.357 8.718 -10.521 35 HB VAL 5 HB VAL 5 6.190 9.262 -9.742 36 HG11 VAL 5 HG11 VAL 5 5.265 11.102 -11.120 37 HG12 VAL 5 HG12 VAL 5 3.959 11.291 -9.926 38 HG13 VAL 5 HG13 VAL 5 5.643 11.583 -9.476 39 HG21 VAL 5 HG21 VAL 5 4.776 8.454 -7.791 40 HG22 VAL 5 HG22 VAL 5 5.509 10.049 -7.602 41 HG23 VAL 5 HG23 VAL 5 3.796 9.913 -8.011 42 H ARG 6 H ARG 6 3.777 9.951 -12.307 43 HA ARG 6 HA ARG 6 5.645 8.887 -14.373 44 HB2 ARG 6 HB2 ARG 6 2.634 9.178 -14.734 45 HB3 ARG 6 HB3 ARG 6 3.758 8.973 -16.088 46 HG2 ARG 6 HG2 ARG 6 3.307 6.976 -13.831 47 HG3 ARG 6 HG3 ARG 6 2.673 6.859 -15.483 48 HD2 ARG 6 HD2 ARG 6 4.938 6.776 -16.401 49 HD3 ARG 6 HD3 ARG 6 5.654 6.933 -14.790 50 HE ARG 6 HE ARG 6 4.744 4.607 -16.062 51 HH11 ARG 6 HH11 ARG 6 5.167 5.976 -12.879 52 HH12 ARG 6 HH12 ARG 6 5.590 4.460 -12.142 53 HH21 ARG 6 HH21 ARG 6 5.225 2.716 -15.081 54 HH22 ARG 6 HH22 ARG 6 5.634 2.685 -13.362 55 H VAL 7 H VAL 7 6.216 10.137 -15.992 56 HA VAL 7 HA VAL 7 5.501 13.039 -15.934 57 HB VAL 7 HB VAL 7 8.287 11.821 -16.115 58 HG11 VAL 7 HG11 VAL 7 8.097 13.975 -17.322 59 HG12 VAL 7 HG12 VAL 7 7.386 14.729 -15.888 60 HG13 VAL 7 HG13 VAL 7 9.075 14.178 -15.862 61 HG21 VAL 7 HG21 VAL 7 7.172 13.279 -13.721 62 HG22 VAL 7 HG22 VAL 7 7.575 11.558 -13.815 63 HG23 VAL 7 HG23 VAL 7 8.850 12.768 -13.957 64 H VAL 8 H VAL 8 4.269 12.796 -17.886 65 HA VAL 8 HA VAL 8 5.523 11.551 -20.271 66 HB VAL 8 HB VAL 8 3.006 13.230 -20.187 67 HG11 VAL 8 HG11 VAL 8 3.946 13.022 -22.427 68 HG12 VAL 8 HG12 VAL 8 4.106 11.260 -22.227 69 HG13 VAL 8 HG13 VAL 8 2.503 12.007 -22.298 70 HG21 VAL 8 HG21 VAL 8 3.272 10.208 -19.992 71 HG22 VAL 8 HG22 VAL 8 2.645 11.292 -18.727 72 HG23 VAL 8 HG23 VAL 8 1.753 11.098 -20.239 73 H TYR 9 H TYR 9 7.070 12.651 -21.324 74 HA TYR 9 HA TYR 9 6.662 15.432 -21.983 75 HB2 TYR 9 HB2 TYR 9 7.980 15.583 -19.877 76 HB3 TYR 9 HB3 TYR 9 9.267 14.634 -20.632 77 HD1 TYR 9 HD1 TYR 9 7.142 17.559 -21.753 78 HD2 TYR 9 HD2 TYR 9 11.120 16.023 -21.142 79 HE1 TYR 9 HE1 TYR 9 8.081 19.677 -22.636 80 HE2 TYR 9 HE2 TYR 9 12.062 18.168 -21.994 81 HH TYR 9 HH TYR 9 11.570 20.140 -23.046 82 H SER 10 H SER 10 9.031 15.958 -23.405 83 HA SER 10 HA SER 10 8.866 13.870 -25.536 84 HB2 SER 10 HB2 SER 10 7.864 16.223 -25.904 85 HB3 SER 10 HB3 SER 10 9.541 16.784 -26.024 86 HG SER 10 HG SER 10 8.215 15.934 -27.968 87 H GLY 11 H GLY 11 10.585 13.837 -26.955 88 HA2 GLY 11 HA2 GLY 11 13.210 13.454 -25.676 89 HA3 GLY 11 HA3 GLY 11 12.777 13.035 -27.342 90 H ALA 12 H ALA 12 12.355 16.276 -26.018 91 HA ALA 12 HA ALA 12 13.405 17.506 -28.365 92 HB1 ALA 12 HB1 ALA 12 12.743 19.569 -27.203 93 HB2 ALA 12 HB2 ALA 12 11.504 18.319 -27.007 94 HB3 ALA 12 HB3 ALA 12 12.622 18.687 -25.667 95 H CYS 13 H CYS 13 15.497 16.059 -26.732 96 HA CYS 13 HA CYS 13 17.478 16.240 -25.608 97 HB2 CYS 13 HB2 CYS 13 18.013 17.332 -27.862 98 HB3 CYS 13 HB3 CYS 13 17.973 18.882 -26.995 99 HG CYS 13 HG CYS 13 20.468 18.004 -27.350 100 H GLY 14 H GLY 14 18.898 18.099 -24.323 101 HA2 GLY 14 HA2 GLY 14 19.118 19.252 -22.351 102 HA3 GLY 14 HA3 GLY 14 17.590 20.039 -22.752 103 H TYR 15 H TYR 15 15.994 17.619 -22.524 104 HA TYR 15 HA TYR 15 15.011 18.002 -20.047 105 HB2 TYR 15 HB2 TYR 15 13.498 16.263 -20.428 106 HB3 TYR 15 HB3 TYR 15 13.905 16.886 -22.029 107 HD1 TYR 15 HD2 TYR 15 15.773 15.577 -23.346 108 HD2 TYR 15 HD1 TYR 15 13.446 13.923 -20.094 109 HE1 TYR 15 HE2 TYR 15 16.423 13.262 -24.033 110 HE2 TYR 15 HE1 TYR 15 14.086 11.647 -20.800 111 HH TYR 15 HH TYR 15 15.016 10.437 -22.629 112 H LYS 16 H LYS 16 17.285 15.397 -20.755 113 HA LYS 16 HA LYS 16 16.838 13.721 -18.648 114 HB2 LYS 16 HB2 LYS 16 19.592 14.298 -19.817 115 HB3 LYS 16 HB3 LYS 16 19.178 12.913 -18.784 116 HG2 LYS 16 HG2 LYS 16 17.416 12.263 -20.475 117 HG3 LYS 16 HG3 LYS 16 18.004 13.580 -21.511 118 HD2 LYS 16 HD2 LYS 16 18.953 11.591 -22.340 119 HD3 LYS 16 HD3 LYS 16 20.268 12.471 -21.540 120 HE2 LYS 16 HE2 LYS 16 20.062 11.010 -19.556 121 HE3 LYS 16 HE3 LYS 16 18.630 10.230 -20.261 122 HZ1 LYS 16 HZ1 LYS 16 20.054 9.419 -22.064 123 HZ2 LYS 16 HZ2 LYS 16 20.568 8.867 -20.607 124 HZ3 LYS 16 HZ3 LYS 16 21.389 10.070 -21.360 125 HA PRO 17 HA PRO 17 19.419 15.754 -15.264 126 HB2 PRO 17 HB2 PRO 17 20.251 18.382 -15.498 127 HB3 PRO 17 HB3 PRO 17 21.249 16.978 -15.989 128 HG2 PRO 17 HG2 PRO 17 19.466 18.701 -17.752 129 HG3 PRO 17 HG3 PRO 17 21.171 18.221 -18.038 130 HD2 PRO 17 HD2 PRO 17 19.170 16.853 -19.198 131 HD3 PRO 17 HD3 PRO 17 20.564 15.983 -18.503 132 H LYS 18 H LYS 18 17.215 18.034 -17.080 133 HA LYS 18 HA LYS 18 16.141 19.156 -14.609 134 HB2 LYS 18 HB2 LYS 18 15.822 19.705 -17.343 135 HB3 LYS 18 HB3 LYS 18 14.233 19.116 -16.858 136 HG2 LYS 18 HG2 LYS 18 15.775 21.390 -15.516 137 HG3 LYS 18 HG3 LYS 18 14.547 21.583 -16.757 138 HD2 LYS 18 HD2 LYS 18 12.869 20.514 -15.172 139 HD3 LYS 18 HD3 LYS 18 14.111 20.621 -13.902 140 HE2 LYS 18 HE2 LYS 18 14.281 23.092 -14.311 141 HE3 LYS 18 HE3 LYS 18 13.069 22.960 -15.584 142 HZ1 LYS 18 HZ1 LYS 18 11.903 23.713 -13.730 143 HZ2 LYS 18 HZ2 LYS 18 12.617 22.675 -12.672 144 HZ3 LYS 18 HZ3 LYS 18 11.523 22.146 -13.761 145 H TYR 19 H TYR 19 15.332 16.378 -16.582 146 HA TYR 19 HA TYR 19 12.964 15.468 -15.294 147 HB2 TYR 19 HB2 TYR 19 13.875 14.630 -17.464 148 HB3 TYR 19 HB3 TYR 19 15.176 13.830 -16.616 149 HD1 TYR 19 HD1 TYR 19 14.769 11.948 -15.043 150 HD2 TYR 19 HD2 TYR 19 11.621 13.636 -17.475 151 HE1 TYR 19 HE1 TYR 19 13.249 10.090 -14.386 152 HE2 TYR 19 HE2 TYR 19 10.177 11.712 -16.923 153 HH TYR 19 HH TYR 19 9.852 10.034 -15.255 154 H LEU 20 H LEU 20 16.309 14.368 -14.878 155 HA LEU 20 HA LEU 20 15.952 12.861 -12.463 156 HB2 LEU 20 HB2 LEU 20 18.253 14.257 -13.735 157 HB3 LEU 20 HB3 LEU 20 18.453 13.823 -12.080 158 HG LEU 20 HG LEU 20 17.786 11.421 -12.727 159 HD11 LEU 20 HD11 LEU 20 17.006 11.950 -15.060 160 HD12 LEU 20 HD12 LEU 20 18.265 10.708 -14.994 161 HD13 LEU 20 HD13 LEU 20 18.682 12.364 -15.478 162 HD21 LEU 20 HD21 LEU 20 20.056 12.090 -12.071 163 HD22 LEU 20 HD22 LEU 20 20.406 12.623 -13.727 164 HD23 LEU 20 HD23 LEU 20 20.118 10.899 -13.374 165 H GLN 21 H GLN 21 16.662 16.430 -12.775 166 HA GLN 21 HA GLN 21 17.043 16.742 -10.025 167 HB2 GLN 21 HB2 GLN 21 17.905 18.213 -11.788 168 HB3 GLN 21 HB3 GLN 21 16.274 18.671 -12.298 169 HG2 GLN 21 HG2 GLN 21 17.285 19.137 -9.516 170 HG3 GLN 21 HG3 GLN 21 17.703 20.279 -10.814 171 HE21 GLN 21 HE21 GLN 21 15.859 20.600 -8.290 172 HE22 GLN 21 HE22 GLN 21 14.380 21.152 -9.070 173 H LEU 22 H LEU 22 14.057 16.824 -11.938 174 HA LEU 22 HA LEU 22 12.334 17.357 -9.634 175 HB2 LEU 22 HB2 LEU 22 11.523 17.771 -11.896 176 HB3 LEU 22 HB3 LEU 22 11.860 16.105 -12.376 177 HG LEU 22 HG LEU 22 10.087 15.271 -10.852 178 HD11 LEU 22 HD11 LEU 22 10.093 16.976 -9.111 179 HD12 LEU 22 HD12 LEU 22 8.498 16.973 -9.873 180 HD13 LEU 22 HD13 LEU 22 9.689 18.229 -10.296 181 HD21 LEU 22 HD21 LEU 22 8.169 16.149 -12.106 182 HD22 LEU 22 HD22 LEU 22 9.534 15.823 -13.183 183 HD23 LEU 22 HD23 LEU 22 9.155 17.497 -12.710 184 H LYS 23 H LYS 23 13.433 14.421 -11.331 185 HA LYS 23 HA LYS 23 11.691 12.681 -9.811 186 HB2 LYS 23 HB2 LYS 23 12.931 12.311 -12.207 187 HB3 LYS 23 HB3 LYS 23 14.115 11.504 -11.157 188 HG2 LYS 23 HG2 LYS 23 11.285 10.853 -10.764 189 HG3 LYS 23 HG3 LYS 23 11.995 10.280 -12.265 190 HD2 LYS 23 HD2 LYS 23 13.442 9.734 -9.634 191 HD3 LYS 23 HD3 LYS 23 12.071 8.751 -10.116 192 HE2 LYS 23 HE2 LYS 23 13.154 8.464 -12.372 193 HE3 LYS 23 HE3 LYS 23 14.642 9.098 -11.619 194 HZ1 LYS 23 HZ1 LYS 23 14.456 7.346 -9.935 195 HZ2 LYS 23 HZ2 LYS 23 14.454 6.590 -11.421 196 HZ3 LYS 23 HZ3 LYS 23 13.101 6.822 -10.471 197 H GLU 24 H GLU 24 15.210 13.003 -9.757 198 HA GLU 24 HA GLU 24 15.991 11.402 -7.602 199 HB2 GLU 24 HB2 GLU 24 17.473 12.905 -9.073 200 HB3 GLU 24 HB3 GLU 24 16.890 14.269 -8.144 201 HG2 GLU 24 HG2 GLU 24 17.907 12.171 -6.337 202 HG3 GLU 24 HG3 GLU 24 19.110 12.636 -7.548 203 H LYS 25 H LYS 25 14.565 14.672 -7.424 204 HA LYS 25 HA LYS 25 14.935 14.902 -4.582 205 HB2 LYS 25 HB2 LYS 25 14.053 16.607 -6.692 206 HB3 LYS 25 HB3 LYS 25 12.635 16.445 -5.675 207 HG2 LYS 25 HG2 LYS 25 13.953 18.384 -5.027 208 HG3 LYS 25 HG3 LYS 25 13.860 17.183 -3.721 209 HD2 LYS 25 HD2 LYS 25 16.120 18.309 -4.032 210 HD3 LYS 25 HD3 LYS 25 16.148 16.540 -4.025 211 HE2 LYS 25 HE2 LYS 25 16.091 16.583 -6.547 212 HE3 LYS 25 HE3 LYS 25 16.275 18.345 -6.488 213 HZ1 LYS 25 HZ1 LYS 25 18.096 16.289 -5.347 214 HZ2 LYS 25 HZ2 LYS 25 18.454 17.912 -5.340 215 HZ3 LYS 25 HZ3 LYS 25 18.407 16.944 -6.701 216 H LEU 26 H LEU 26 12.196 13.822 -6.436 217 HA LEU 26 HA LEU 26 10.441 13.491 -4.189 218 HB2 LEU 26 HB2 LEU 26 10.245 13.661 -6.978 219 HB3 LEU 26 HB3 LEU 26 9.917 11.964 -6.683 220 HG LEU 26 HG LEU 26 8.147 12.580 -5.096 221 HD11 LEU 26 HD11 LEU 26 8.844 14.864 -4.392 222 HD12 LEU 26 HD12 LEU 26 7.221 14.886 -5.075 223 HD13 LEU 26 HD13 LEU 26 8.600 15.449 -6.052 224 HD21 LEU 26 HD21 LEU 26 6.561 13.472 -6.870 225 HD22 LEU 26 HD22 LEU 26 7.565 12.131 -7.420 226 HD23 LEU 26 HD23 LEU 26 7.966 13.804 -7.893 227 H GLU 27 H GLU 27 12.333 11.165 -6.089 228 HA GLU 27 HA GLU 27 11.882 8.875 -4.431 229 HB2 GLU 27 HB2 GLU 27 13.599 9.727 -6.678 230 HB3 GLU 27 HB3 GLU 27 14.508 8.734 -5.538 231 HG2 GLU 27 HG2 GLU 27 13.036 6.941 -5.714 232 HG3 GLU 27 HG3 GLU 27 11.754 7.869 -6.472 233 H HIS 28 H HIS 28 14.373 11.428 -4.130 234 HA HIS 28 HA HIS 28 15.684 10.346 -1.830 235 HB2 HIS 28 HB2 HIS 28 16.627 12.147 -3.175 236 HB3 HIS 28 HB3 HIS 28 15.275 13.205 -2.793 237 HD1 HIS 28 HD1 HIS 28 16.481 11.506 0.303 238 HD2 HIS 28 HD2 HIS 28 17.053 15.005 -1.904 239 HE1 HIS 28 HE1 HIS 28 17.802 13.097 1.822 240 H GLU 29 H GLU 29 12.848 12.524 -2.154 241 HA GLU 29 HA GLU 29 12.493 12.987 0.636 242 HB2 GLU 29 HB2 GLU 29 10.972 13.372 -1.918 243 HB3 GLU 29 HB3 GLU 29 10.031 13.239 -0.463 244 HG2 GLU 29 HG2 GLU 29 12.135 15.067 0.189 245 HG3 GLU 29 HG3 GLU 29 11.692 15.475 -1.471 246 H PHE 30 H PHE 30 11.280 10.502 -1.546 247 HA PHE 30 HA PHE 30 9.999 9.005 0.698 248 HB2 PHE 30 HB2 PHE 30 8.985 9.223 -2.150 249 HB3 PHE 30 HB3 PHE 30 8.175 8.525 -0.748 250 HD1 PHE 30 HD2 PHE 30 7.835 10.271 1.271 251 HD2 PHE 30 HD1 PHE 30 8.384 11.346 -2.862 252 HE1 PHE 30 HE2 PHE 30 6.864 12.465 1.710 253 HE2 PHE 30 HE1 PHE 30 7.438 13.593 -2.414 254 HZ PHE 30 HZ PHE 30 6.643 14.170 -0.188 255 HA PRO 31 HA PRO 31 12.940 6.391 -1.813 256 HB2 PRO 31 HB2 PRO 31 14.331 5.146 0.236 257 HB3 PRO 31 HB3 PRO 31 14.784 6.701 -0.529 258 HG2 PRO 31 HG2 PRO 31 13.211 6.256 2.031 259 HG3 PRO 31 HG3 PRO 31 14.578 7.386 1.760 260 HD2 PRO 31 HD2 PRO 31 11.996 8.238 1.674 261 HD3 PRO 31 HD3 PRO 31 13.211 8.877 0.522 262 H GLY 32 H GLY 32 12.397 4.476 -2.455 263 HA2 GLY 32 HA2 GLY 32 11.525 2.355 -2.731 264 HA3 GLY 32 HA3 GLY 32 11.682 2.185 -0.978 265 H CYS 33 H CYS 33 9.710 4.340 -0.537 266 HA CYS 33 HA CYS 33 7.226 2.900 -0.592 267 HB2 CYS 33 HB2 CYS 33 7.641 5.842 -0.050 268 HB3 CYS 33 HB3 CYS 33 6.342 4.785 0.529 269 HG CYS 33 HG CYS 33 9.586 4.577 1.335 270 H LEU 34 H LEU 34 8.931 4.595 -2.952 271 HA LEU 34 HA LEU 34 6.536 5.032 -4.625 272 HB2 LEU 34 HB2 LEU 34 8.174 7.086 -3.256 273 HB3 LEU 34 HB3 LEU 34 8.138 7.281 -5.009 274 HG LEU 34 HG LEU 34 5.506 6.799 -3.626 275 HD11 LEU 34 HD11 LEU 34 6.908 9.487 -3.594 276 HD12 LEU 34 HD12 LEU 34 6.499 8.499 -2.177 277 HD13 LEU 34 HD13 LEU 34 5.205 9.172 -3.155 278 HD21 LEU 34 HD21 LEU 34 4.782 8.409 -5.350 279 HD22 LEU 34 HD22 LEU 34 5.727 7.075 -6.083 280 HD23 LEU 34 HD23 LEU 34 6.474 8.661 -5.830 281 H ASP 35 H ASP 35 6.877 5.307 -6.635 282 HA ASP 35 HA ASP 35 9.505 4.966 -8.021 283 HB2 ASP 35 HB2 ASP 35 8.106 3.017 -8.421 284 HB3 ASP 35 HB3 ASP 35 6.700 4.026 -8.511 285 H ILE 36 H ILE 36 9.709 6.263 -9.766 286 HA ILE 36 HA ILE 36 7.526 7.777 -10.836 287 HB ILE 36 HB ILE 36 10.099 9.131 -10.588 288 HG12 ILE 36 HG12 ILE 36 8.659 10.825 -8.994 289 HG13 ILE 36 HG13 ILE 36 8.122 9.249 -8.428 290 HG21 ILE 36 HG21 ILE 36 8.812 9.908 -12.447 291 HG22 ILE 36 HG22 ILE 36 7.402 10.198 -11.420 292 HG23 ILE 36 HG23 ILE 36 8.857 11.202 -11.254 293 HD11 ILE 36 HD11 ILE 36 10.598 8.601 -8.286 294 HD12 ILE 36 HD12 ILE 36 10.995 10.300 -8.616 295 HD13 ILE 36 HD13 ILE 36 10.082 9.842 -7.148 296 H CYS 37 H CYS 37 7.574 7.359 -12.796 297 HA CYS 37 HA CYS 37 10.047 6.756 -14.398 298 HB2 CYS 37 HB2 CYS 37 7.387 5.351 -14.358 299 HB3 CYS 37 HB3 CYS 37 8.363 5.335 -15.833 300 HG CYS 37 HG CYS 37 9.187 4.334 -12.747 301 H GLY 38 H GLY 38 9.603 7.020 -16.824 302 HA2 GLY 38 HA2 GLY 38 7.742 9.201 -17.496 303 HA3 GLY 38 HA3 GLY 38 9.465 9.565 -17.694 304 H GLU 39 H GLU 39 7.183 9.228 -19.599 305 HA GLU 39 HA GLU 39 7.961 6.884 -21.261 306 HB2 GLU 39 HB2 GLU 39 5.282 7.634 -20.092 307 HB3 GLU 39 HB3 GLU 39 5.511 6.434 -21.374 308 HG2 GLU 39 HG2 GLU 39 6.951 5.076 -19.878 309 HG3 GLU 39 HG3 GLU 39 6.766 6.269 -18.591 310 H GLY 40 H GLY 40 8.733 8.095 -22.724 311 HA2 GLY 40 HA2 GLY 40 7.991 10.808 -23.007 312 HA3 GLY 40 HA3 GLY 40 9.346 10.054 -23.835 313 H THR 41 H THR 41 5.821 9.617 -24.122 314 HA THR 41 HA THR 41 6.060 9.918 -27.098 315 HB THR 41 HB THR 41 4.041 8.331 -25.547 316 HG1 THR 41 HG1 THR 41 5.361 6.590 -25.734 317 HG21 THR 41 HG21 THR 41 5.138 7.998 -28.393 318 HG22 THR 41 HG22 THR 41 3.531 8.644 -28.003 319 HG23 THR 41 HG23 THR 41 3.914 6.961 -27.631 320 HA PRO 42 HA PRO 42 2.737 13.005 -25.870 321 HB2 PRO 42 HB2 PRO 42 3.928 15.419 -26.240 322 HB3 PRO 42 HB3 PRO 42 4.145 14.473 -24.733 323 HG2 PRO 42 HG2 PRO 42 6.028 14.644 -27.093 324 HG3 PRO 42 HG3 PRO 42 6.382 14.727 -25.336 325 HD2 PRO 42 HD2 PRO 42 6.637 12.419 -26.840 326 HD3 PRO 42 HD3 PRO 42 6.229 12.413 -25.092 327 H GLN 43 H GLN 43 1.803 12.125 -27.687 328 HA GLN 43 HA GLN 43 2.513 12.366 -30.359 329 HB2 GLN 43 HB2 GLN 43 0.875 10.806 -29.061 330 HB3 GLN 43 HB3 GLN 43 -0.353 12.010 -29.451 331 HG2 GLN 43 HG2 GLN 43 0.255 11.678 -31.915 332 HG3 GLN 43 HG3 GLN 43 1.381 10.418 -31.403 333 HE21 GLN 43 HE21 GLN 43 -1.930 11.073 -32.246 334 HE22 GLN 43 HE22 GLN 43 -2.489 9.468 -31.727 335 H VAL 44 H VAL 44 2.585 15.026 -29.398 336 HA VAL 44 HA VAL 44 1.218 16.359 -31.620 337 HB VAL 44 HB VAL 44 1.031 17.543 -28.817 338 HG11 VAL 44 HG11 VAL 44 1.449 19.310 -30.473 339 HG12 VAL 44 HG12 VAL 44 0.169 18.663 -31.521 340 HG13 VAL 44 HG13 VAL 44 -0.231 19.375 -29.944 341 HG21 VAL 44 HG21 VAL 44 -1.423 17.471 -29.192 342 HG22 VAL 44 HG22 VAL 44 -1.157 16.611 -30.725 343 HG23 VAL 44 HG23 VAL 44 -0.724 15.847 -29.189 344 H THR 45 H THR 45 3.187 17.353 -28.798 345 HA THR 45 HA THR 45 5.605 17.682 -30.463 346 HB THR 45 HB THR 45 6.004 20.009 -29.587 347 HG1 THR 45 HG1 THR 45 3.794 21.033 -29.272 348 HG21 THR 45 HG21 THR 45 5.233 19.644 -31.926 349 HG22 THR 45 HG22 THR 45 4.730 21.199 -31.241 350 HG23 THR 45 HG23 THR 45 3.560 19.872 -31.389 351 H GLY 46 H GLY 46 4.551 18.911 -27.314 352 HA2 GLY 46 HA2 GLY 46 6.044 17.100 -25.631 353 HA3 GLY 46 HA3 GLY 46 7.020 18.536 -26.006 354 H PHE 47 H PHE 47 3.685 17.747 -25.038 355 HA PHE 47 HA PHE 47 3.522 19.778 -22.931 356 HB2 PHE 47 HB2 PHE 47 1.577 18.243 -22.256 357 HB3 PHE 47 HB3 PHE 47 1.487 19.150 -23.759 358 HD1 PHE 47 HD2 PHE 47 2.359 15.680 -22.532 359 HD2 PHE 47 HD1 PHE 47 0.793 18.147 -25.716 360 HE1 PHE 47 HE2 PHE 47 1.536 13.666 -23.699 361 HE2 PHE 47 HE1 PHE 47 0.021 16.111 -26.902 362 HZ PHE 47 HZ PHE 47 0.362 13.872 -25.881 363 H PHE 48 H PHE 48 3.610 19.224 -20.638 364 HA PHE 48 HA PHE 48 5.501 17.037 -19.923 365 HB2 PHE 48 HB2 PHE 48 6.707 19.269 -20.026 366 HB3 PHE 48 HB3 PHE 48 5.637 19.800 -18.729 367 HD1 PHE 48 HD1 PHE 48 5.620 18.583 -16.467 368 HD2 PHE 48 HD2 PHE 48 8.775 18.242 -19.391 369 HE1 PHE 48 HE1 PHE 48 7.174 17.807 -14.719 370 HE2 PHE 48 HE2 PHE 48 10.318 17.477 -17.643 371 HZ PHE 48 HZ PHE 48 9.536 17.252 -15.295 372 H GLU 49 H GLU 49 3.914 15.751 -19.025 373 HA GLU 49 HA GLU 49 1.899 17.061 -17.268 374 HB2 GLU 49 HB2 GLU 49 1.766 14.673 -19.142 375 HB3 GLU 49 HB3 GLU 49 0.444 15.443 -18.294 376 HG2 GLU 49 HG2 GLU 49 2.120 16.680 -20.521 377 HG3 GLU 49 HG3 GLU 49 0.497 16.039 -20.683 378 H VAL 50 H VAL 50 1.921 16.457 -15.153 379 HA VAL 50 HA VAL 50 3.460 13.938 -14.558 380 HB VAL 50 HB VAL 50 3.836 16.526 -13.500 381 HG11 VAL 50 HG11 VAL 50 2.263 15.969 -11.646 382 HG12 VAL 50 HG12 VAL 50 3.225 14.513 -11.290 383 HG13 VAL 50 HG13 VAL 50 3.927 16.135 -11.099 384 HG21 VAL 50 HG21 VAL 50 5.133 13.916 -12.762 385 HG22 VAL 50 HG22 VAL 50 5.547 14.942 -14.162 386 HG23 VAL 50 HG23 VAL 50 5.793 15.546 -12.512 387 H THR 51 H THR 51 2.566 12.298 -13.595 388 HA THR 51 HA THR 51 -0.174 12.567 -12.494 389 HB THR 51 HB THR 51 0.361 9.920 -13.454 390 HG1 THR 51 HG1 THR 51 0.640 11.811 -15.526 391 HG21 THR 51 HG21 THR 51 -1.868 10.893 -13.301 392 HG22 THR 51 HG22 THR 51 -1.550 10.277 -14.927 393 HG23 THR 51 HG23 THR 51 -1.480 12.028 -14.621 394 H VAL 52 H VAL 52 -0.556 11.398 -10.575 395 HA VAL 52 HA VAL 52 1.398 9.291 -9.752 396 HB VAL 52 HB VAL 52 1.836 11.194 -8.416 397 HG11 VAL 52 HG11 VAL 52 -0.342 12.395 -8.529 398 HG12 VAL 52 HG12 VAL 52 -1.065 11.176 -7.461 399 HG13 VAL 52 HG13 VAL 52 0.234 12.222 -6.870 400 HG21 VAL 52 HG21 VAL 52 1.907 8.932 -7.357 401 HG22 VAL 52 HG22 VAL 52 1.607 10.231 -6.194 402 HG23 VAL 52 HG23 VAL 52 0.267 9.211 -6.724 403 H ALA 53 H ALA 53 0.532 7.363 -9.573 404 HA ALA 53 HA ALA 53 -0.991 5.701 -9.922 405 HB1 ALA 53 HB1 ALA 53 -1.210 5.791 -7.582 406 HB2 ALA 53 HB2 ALA 53 -2.335 7.177 -7.642 407 HB3 ALA 53 HB3 ALA 53 -2.824 5.566 -8.209 408 H GLY 54 H GLY 54 -1.415 7.877 -11.819 409 HA2 GLY 54 HA2 GLY 54 -2.967 8.247 -13.569 410 HA3 GLY 54 HA3 GLY 54 -4.188 7.336 -12.676 411 H LYS 55 H LYS 55 -2.810 9.754 -10.721 412 HA LYS 55 HA LYS 55 -5.007 11.725 -11.220 413 HB2 LYS 55 HB2 LYS 55 -3.127 11.513 -8.913 414 HB3 LYS 55 HB3 LYS 55 -4.363 12.732 -9.089 415 HG2 LYS 55 HG2 LYS 55 -4.891 9.729 -8.816 416 HG3 LYS 55 HG3 LYS 55 -4.977 10.925 -7.509 417 HD2 LYS 55 HD2 LYS 55 -6.732 12.166 -8.806 418 HD3 LYS 55 HD3 LYS 55 -6.729 10.845 -10.001 419 HE2 LYS 55 HE2 LYS 55 -7.328 9.228 -8.227 420 HE3 LYS 55 HE3 LYS 55 -7.293 10.522 -7.019 421 HZ1 LYS 55 HZ1 LYS 55 -9.555 10.097 -7.782 422 HZ2 LYS 55 HZ2 LYS 55 -9.130 10.400 -9.343 423 HZ3 LYS 55 HZ3 LYS 55 -9.092 11.612 -8.233 424 H LEU 56 H LEU 56 -4.360 12.995 -12.892 425 HA LEU 56 HA LEU 56 -1.686 14.036 -13.285 426 HB2 LEU 56 HB2 LEU 56 -3.285 13.936 -15.021 427 HB3 LEU 56 HB3 LEU 56 -4.394 15.019 -14.150 428 HG LEU 56 HG LEU 56 -2.211 16.648 -14.316 429 HD11 LEU 56 HD11 LEU 56 -0.770 15.024 -15.494 430 HD12 LEU 56 HD12 LEU 56 -1.177 16.363 -16.569 431 HD13 LEU 56 HD13 LEU 56 -2.003 14.804 -16.756 432 HD21 LEU 56 HD21 LEU 56 -4.456 17.109 -15.137 433 HD22 LEU 56 HD22 LEU 56 -4.176 16.065 -16.549 434 HD23 LEU 56 HD23 LEU 56 -3.237 17.579 -16.341 435 H VAL 57 H VAL 57 -0.721 15.491 -12.244 436 HA VAL 57 HA VAL 57 -2.185 17.199 -10.192 437 HB VAL 57 HB VAL 57 0.811 16.819 -10.119 438 HG11 VAL 57 HG11 VAL 57 -1.290 17.386 -7.984 439 HG12 VAL 57 HG12 VAL 57 0.459 17.256 -7.704 440 HG13 VAL 57 HG13 VAL 57 -0.175 18.572 -8.694 441 HG21 VAL 57 HG21 VAL 57 0.511 15.015 -8.435 442 HG22 VAL 57 HG22 VAL 57 -1.220 14.950 -8.841 443 HG23 VAL 57 HG23 VAL 57 0.011 14.516 -10.050 444 H HIS 58 H HIS 58 -0.222 17.177 -13.011 445 HA HIS 58 HA HIS 58 0.322 20.123 -12.919 446 HB2 HIS 58 HB2 HIS 58 1.987 18.539 -11.735 447 HB3 HIS 58 HB3 HIS 58 2.269 17.896 -13.361 448 HD1 HIS 58 HD1 HIS 58 2.226 21.705 -12.407 449 HD2 HIS 58 HD2 HIS 58 4.651 18.587 -13.938 450 HE1 HIS 58 HE1 HIS 58 4.502 22.682 -12.817 451 H SER 59 H SER 59 0.995 21.001 -14.908 452 HA SER 59 HA SER 59 0.861 19.334 -17.327 453 HB2 SER 59 HB2 SER 59 -1.573 19.712 -16.356 454 HB3 SER 59 HB3 SER 59 -1.304 21.351 -16.761 455 HG SER 59 HG SER 59 -0.976 19.293 -18.666 456 H LYS 60 H LYS 60 2.752 20.446 -18.154 457 HA LYS 60 HA LYS 60 2.949 23.267 -18.608 458 HB2 LYS 60 HB2 LYS 60 4.015 20.801 -19.828 459 HB3 LYS 60 HB3 LYS 60 3.939 22.136 -20.953 460 HG2 LYS 60 HG2 LYS 60 5.174 22.532 -18.207 461 HG3 LYS 60 HG3 LYS 60 6.094 21.725 -19.461 462 HD2 LYS 60 HD2 LYS 60 4.966 24.500 -19.857 463 HD3 LYS 60 HD3 LYS 60 6.607 24.118 -19.273 464 HE2 LYS 60 HE2 LYS 60 6.695 22.527 -21.374 465 HE3 LYS 60 HE3 LYS 60 5.358 23.513 -21.973 466 HZ1 LYS 60 HZ1 LYS 60 8.102 24.389 -21.257 467 HZ2 LYS 60 HZ2 LYS 60 6.898 25.464 -21.632 468 HZ3 LYS 60 HZ3 LYS 60 7.454 24.390 -22.749 469 H LYS 61 H LYS 61 0.905 20.924 -20.392 470 HA LYS 61 HA LYS 61 0.185 23.041 -22.325 471 HB2 LYS 61 HB2 LYS 61 -1.227 21.507 -23.450 472 HB3 LYS 61 HB3 LYS 61 0.328 20.783 -23.076 473 HG2 LYS 61 HG2 LYS 61 -1.065 19.025 -22.616 474 HG3 LYS 61 HG3 LYS 61 -0.925 19.752 -21.016 475 HD2 LYS 61 HD2 LYS 61 -3.135 20.826 -21.277 476 HD3 LYS 61 HD3 LYS 61 -3.226 20.245 -22.942 477 HE2 LYS 61 HE2 LYS 61 -4.582 18.841 -21.502 478 HE3 LYS 61 HE3 LYS 61 -3.231 17.914 -22.166 479 HZ1 LYS 61 HZ1 LYS 61 -3.157 19.109 -19.443 480 HZ2 LYS 61 HZ2 LYS 61 -2.083 18.096 -20.061 481 HZ3 LYS 61 HZ3 LYS 61 -3.571 17.532 -19.749 482 H ARG 62 H ARG 62 -1.377 22.085 -19.269 483 HA ARG 62 HA ARG 62 -3.685 23.781 -19.909 484 HB2 ARG 62 HB2 ARG 62 -4.554 23.101 -17.987 485 HB3 ARG 62 HB3 ARG 62 -3.429 21.779 -18.201 486 HG2 ARG 62 HG2 ARG 62 -3.045 22.203 -15.998 487 HG3 ARG 62 HG3 ARG 62 -1.858 23.326 -16.709 488 HD2 ARG 62 HD2 ARG 62 -4.137 24.839 -16.524 489 HD3 ARG 62 HD3 ARG 62 -4.300 23.797 -15.117 490 HE ARG 62 HE ARG 62 -1.946 24.500 -14.477 491 HH11 ARG 62 HH11 ARG 62 -3.308 26.735 -16.743 492 HH12 ARG 62 HH12 ARG 62 -2.691 28.121 -15.865 493 HH21 ARG 62 HH21 ARG 62 -1.187 26.031 -13.513 494 HH22 ARG 62 HH22 ARG 62 -1.280 27.703 -14.092 495 H GLY 63 H GLY 63 -0.525 24.418 -19.126 496 HA2 GLY 63 HA2 GLY 63 0.369 26.643 -19.234 497 HA3 GLY 63 HA3 GLY 63 -1.116 27.305 -18.536 498 H ASP 64 H ASP 64 0.330 24.393 -17.070 499 HA ASP 64 HA ASP 64 0.705 25.860 -14.621 500 HB2 ASP 64 HB2 ASP 64 -0.005 23.305 -15.310 501 HB3 ASP 64 HB3 ASP 64 1.707 23.065 -14.930 502 H GLY 65 H GLY 65 2.894 25.053 -17.207 503 HA2 GLY 65 HA2 GLY 65 5.183 25.399 -17.443 504 HA3 GLY 65 HA3 GLY 65 5.250 26.102 -15.813 505 H TYR 66 H TYR 66 7.176 24.553 -16.024 506 HA TYR 66 HA TYR 66 6.620 21.843 -15.019 507 HB2 TYR 66 HB2 TYR 66 9.294 23.185 -14.892 508 HB3 TYR 66 HB3 TYR 66 8.877 21.505 -15.112 509 HD1 TYR 66 HD2 TYR 66 8.312 20.584 -17.306 510 HD2 TYR 66 HD1 TYR 66 9.509 24.686 -16.835 511 HE1 TYR 66 HE2 TYR 66 8.755 20.726 -19.762 512 HE2 TYR 66 HE1 TYR 66 9.941 24.854 -19.279 513 HH TYR 66 HH TYR 66 9.874 22.050 -21.385 514 H VAL 67 H VAL 67 8.000 21.499 -12.776 515 HA VAL 67 HA VAL 67 7.272 23.692 -10.894 516 HB VAL 67 HB VAL 67 8.311 22.584 -9.109 517 HG11 VAL 67 HG11 VAL 67 6.469 20.908 -8.829 518 HG12 VAL 67 HG12 VAL 67 5.888 22.419 -9.540 519 HG13 VAL 67 HG13 VAL 67 6.136 20.995 -10.568 520 HG21 VAL 67 HG21 VAL 67 8.518 20.162 -10.989 521 HG22 VAL 67 HG22 VAL 67 9.884 20.992 -10.207 522 HG23 VAL 67 HG23 VAL 67 8.714 20.106 -9.226 523 H ASP 68 H ASP 68 8.234 25.355 -11.229 524 HA ASP 68 HA ASP 68 11.139 25.542 -11.691 525 HB2 ASP 68 HB2 ASP 68 8.681 26.997 -12.550 526 HB3 ASP 68 HB3 ASP 68 10.300 27.616 -12.806 527 H THR 69 H THR 69 8.885 26.205 -9.240 528 HA THR 69 HA THR 69 10.848 28.056 -7.975 529 HB THR 69 HB THR 69 8.125 28.823 -7.336 530 HG1 THR 69 HG1 THR 69 9.045 29.570 -9.905 531 HG21 THR 69 HG21 THR 69 10.094 30.107 -6.631 532 HG22 THR 69 HG22 THR 69 9.016 31.106 -7.623 533 HG23 THR 69 HG23 THR 69 10.503 30.438 -8.329 534 H GLU 70 H GLU 70 10.659 28.106 -5.739 535 HA GLU 70 HA GLU 70 10.212 25.649 -4.410 536 HB2 GLU 70 HB2 GLU 70 11.095 28.246 -3.735 537 HB3 GLU 70 HB3 GLU 70 9.722 28.008 -2.676 538 HG2 GLU 70 HG2 GLU 70 11.946 25.939 -2.897 539 HG3 GLU 70 HG3 GLU 70 12.012 27.307 -1.788 540 H SER 71 H SER 71 8.185 28.454 -4.497 541 HA SER 71 HA SER 71 5.999 27.284 -3.035 542 HB2 SER 71 HB2 SER 71 6.484 29.766 -3.775 543 HB3 SER 71 HB3 SER 71 5.397 29.401 -5.119 544 HG SER 71 HG SER 71 4.528 30.194 -2.910 545 H LYS 72 H LYS 72 6.816 26.815 -6.287 546 HA LYS 72 HA LYS 72 4.242 25.443 -6.893 547 HB2 LYS 72 HB2 LYS 72 5.756 26.829 -8.645 548 HB3 LYS 72 HB3 LYS 72 6.485 25.219 -8.848 549 HG2 LYS 72 HG2 LYS 72 4.083 24.325 -9.099 550 HG3 LYS 72 HG3 LYS 72 3.541 26.004 -9.128 551 HD2 LYS 72 HD2 LYS 72 5.312 24.582 -11.132 552 HD3 LYS 72 HD3 LYS 72 3.666 25.137 -11.382 553 HE2 LYS 72 HE2 LYS 72 4.382 27.490 -11.184 554 HE3 LYS 72 HE3 LYS 72 6.058 26.974 -10.880 555 HZ1 LYS 72 HZ1 LYS 72 6.002 25.884 -13.087 556 HZ2 LYS 72 HZ2 LYS 72 5.785 27.515 -13.222 557 HZ3 LYS 72 HZ3 LYS 72 4.519 26.457 -13.358 558 H PHE 73 H PHE 73 7.627 24.648 -6.422 559 HA PHE 73 HA PHE 73 7.479 21.817 -6.766 560 HB2 PHE 73 HB2 PHE 73 9.568 23.049 -6.734 561 HB3 PHE 73 HB3 PHE 73 9.269 23.616 -5.101 562 HD1 PHE 73 HD2 PHE 73 9.492 20.304 -6.924 563 HD2 PHE 73 HD1 PHE 73 10.458 22.597 -3.387 564 HE1 PHE 73 HE2 PHE 73 10.708 18.358 -5.985 565 HE2 PHE 73 HE1 PHE 73 11.695 20.660 -2.479 566 HZ PHE 73 HZ PHE 73 11.790 18.523 -3.751 567 H ARG 74 H ARG 74 7.091 23.763 -3.811 568 HA ARG 74 HA ARG 74 6.619 21.617 -2.058 569 HB2 ARG 74 HB2 ARG 74 6.964 24.322 -1.688 570 HB3 ARG 74 HB3 ARG 74 5.222 24.185 -1.425 571 HG2 ARG 74 HG2 ARG 74 6.180 23.828 0.724 572 HG3 ARG 74 HG3 ARG 74 5.740 22.220 0.161 573 HD2 ARG 74 HD2 ARG 74 7.889 21.767 0.883 574 HD3 ARG 74 HD3 ARG 74 8.259 22.205 -0.777 575 HE ARG 74 HE ARG 74 9.230 24.212 -0.102 576 HH11 ARG 74 HH11 ARG 74 7.791 22.668 2.643 577 HH12 ARG 74 HH12 ARG 74 8.452 23.809 3.801 578 HH21 ARG 74 HH21 ARG 74 9.972 25.670 1.324 579 HH22 ARG 74 HH22 ARG 74 9.796 25.470 3.061 580 H LYS 75 H LYS 75 4.368 22.936 -4.292 581 HA LYS 75 HA LYS 75 1.927 21.927 -3.144 582 HB2 LYS 75 HB2 LYS 75 2.671 22.363 -6.085 583 HB3 LYS 75 HB3 LYS 75 1.056 22.271 -5.455 584 HG2 LYS 75 HG2 LYS 75 3.016 24.488 -4.929 585 HG3 LYS 75 HG3 LYS 75 1.570 24.548 -5.937 586 HD2 LYS 75 HD2 LYS 75 0.286 23.900 -3.796 587 HD3 LYS 75 HD3 LYS 75 1.730 24.372 -2.894 588 HE2 LYS 75 HE2 LYS 75 0.390 26.207 -4.927 589 HE3 LYS 75 HE3 LYS 75 -0.189 26.119 -3.263 590 HZ1 LYS 75 HZ1 LYS 75 1.468 27.924 -3.665 591 HZ2 LYS 75 HZ2 LYS 75 2.613 26.797 -3.965 592 HZ3 LYS 75 HZ3 LYS 75 1.939 26.895 -2.481 593 H LEU 76 H LEU 76 4.449 20.606 -5.234 594 HA LEU 76 HA LEU 76 3.016 18.047 -5.516 595 HB2 LEU 76 HB2 LEU 76 4.564 19.128 -7.319 596 HB3 LEU 76 HB3 LEU 76 5.912 18.712 -6.258 597 HG LEU 76 HG LEU 76 5.123 16.278 -6.375 598 HD11 LEU 76 HD11 LEU 76 3.820 15.657 -8.389 599 HD12 LEU 76 HD12 LEU 76 3.531 17.379 -8.739 600 HD13 LEU 76 HD13 LEU 76 2.856 16.627 -7.274 601 HD21 LEU 76 HD21 LEU 76 6.084 17.636 -8.917 602 HD22 LEU 76 HD22 LEU 76 6.217 15.902 -8.540 603 HD23 LEU 76 HD23 LEU 76 7.092 17.086 -7.558 604 H VAL 77 H VAL 77 5.905 19.190 -3.955 605 HA VAL 77 HA VAL 77 6.550 16.752 -2.587 606 HB VAL 77 HB VAL 77 7.133 19.649 -2.058 607 HG11 VAL 77 HG11 VAL 77 8.544 19.093 -0.081 608 HG12 VAL 77 HG12 VAL 77 6.801 19.037 0.226 609 HG13 VAL 77 HG13 VAL 77 7.719 17.533 0.008 610 HG21 VAL 77 HG21 VAL 77 8.851 17.186 -2.475 611 HG22 VAL 77 HG22 VAL 77 8.485 18.463 -3.655 612 HG23 VAL 77 HG23 VAL 77 9.464 18.824 -2.220 613 H THR 78 H THR 78 4.272 19.290 -1.495 614 HA THR 78 HA THR 78 3.656 17.777 0.872 615 HB THR 78 HB THR 78 2.181 20.058 -0.498 616 HG1 THR 78 HG1 THR 78 3.085 21.216 1.140 617 HG21 THR 78 HG21 THR 78 1.637 18.823 2.241 618 HG22 THR 78 HG22 THR 78 0.513 18.859 0.863 619 HG23 THR 78 HG23 THR 78 0.972 20.367 1.662 620 H ALA 79 H ALA 79 2.368 17.731 -2.389 621 HA ALA 79 HA ALA 79 0.014 16.237 -1.474 622 HB1 ALA 79 HB1 ALA 79 -0.567 16.126 -3.896 623 HB2 ALA 79 HB2 ALA 79 -0.152 17.786 -3.431 624 HB3 ALA 79 HB3 ALA 79 1.029 16.786 -4.309 625 H ILE 80 H ILE 80 3.131 15.449 -2.646 626 HA ILE 80 HA ILE 80 2.392 12.607 -3.150 627 HB ILE 80 HB ILE 80 5.043 14.049 -3.274 628 HG12 ILE 80 HG12 ILE 80 3.370 14.704 -5.052 629 HG13 ILE 80 HG13 ILE 80 4.857 13.998 -5.649 630 HG21 ILE 80 HG21 ILE 80 5.405 11.666 -2.769 631 HG22 ILE 80 HG22 ILE 80 4.346 11.185 -4.093 632 HG23 ILE 80 HG23 ILE 80 5.882 12.010 -4.437 633 HD11 ILE 80 HD11 ILE 80 2.208 12.517 -5.406 634 HD12 ILE 80 HD12 ILE 80 2.829 13.282 -6.880 635 HD13 ILE 80 HD13 ILE 80 3.695 11.909 -6.182 636 H LYS 81 H LYS 81 3.732 14.636 -0.613 637 HA LYS 81 HA LYS 81 4.649 12.496 1.125 638 HB2 LYS 81 HB2 LYS 81 5.114 14.989 1.132 639 HB3 LYS 81 HB3 LYS 81 3.582 15.270 1.935 640 HG2 LYS 81 HG2 LYS 81 4.366 14.164 3.924 641 HG3 LYS 81 HG3 LYS 81 5.771 13.504 3.111 642 HD2 LYS 81 HD2 LYS 81 5.239 16.393 3.835 643 HD3 LYS 81 HD3 LYS 81 6.533 15.360 4.430 644 HE2 LYS 81 HE2 LYS 81 6.270 16.482 1.592 645 HE3 LYS 81 HE3 LYS 81 7.323 17.109 2.853 646 HZ1 LYS 81 HZ1 LYS 81 8.501 15.745 1.278 647 HZ2 LYS 81 HZ2 LYS 81 7.626 14.435 1.573 648 HZ3 LYS 81 HZ3 LYS 81 8.637 15.080 2.724 649 H ALA 82 H ALA 82 1.692 14.280 0.793 650 HA ALA 82 HA ALA 82 0.139 13.002 2.877 651 HB1 ALA 82 HB1 ALA 82 -0.772 14.458 0.349 652 HB2 ALA 82 HB2 ALA 82 -1.790 14.058 1.749 653 HB3 ALA 82 HB3 ALA 82 -0.452 15.209 1.927 654 H ALA 83 H ALA 83 0.280 12.453 -0.683 655 HA ALA 83 HA ALA 83 -1.396 10.188 -0.751 656 HB1 ALA 83 HB1 ALA 83 -0.291 9.683 -2.899 657 HB2 ALA 83 HB2 ALA 83 -0.648 11.418 -2.767 658 HB3 ALA 83 HB3 ALA 83 1.010 10.826 -2.509 659 H LEU 84 H LEU 84 1.998 10.421 -0.061 660 HA LEU 84 HA LEU 84 2.528 7.588 0.005 661 HB2 LEU 84 HB2 LEU 84 4.186 9.533 -0.246 662 HB3 LEU 84 HB3 LEU 84 4.114 9.745 1.492 663 HG LEU 84 HG LEU 84 6.056 8.589 0.518 664 HD11 LEU 84 HD11 LEU 84 4.490 6.683 2.279 665 HD12 LEU 84 HD12 LEU 84 5.420 8.088 2.850 666 HD13 LEU 84 HD13 LEU 84 6.245 6.734 2.065 667 HD21 LEU 84 HD21 LEU 84 5.933 6.699 -0.800 668 HD22 LEU 84 HD22 LEU 84 4.437 7.444 -1.255 669 HD23 LEU 84 HD23 LEU 84 4.413 6.120 -0.073 670 H ALA 85 H ALA 85 2.119 9.903 2.638 671 HA ALA 85 HA ALA 85 2.020 7.902 4.705 672 HB1 ALA 85 HB1 ALA 85 2.536 10.302 5.130 673 HB2 ALA 85 HB2 ALA 85 0.857 10.728 4.723 674 HB3 ALA 85 HB3 ALA 85 1.202 9.738 6.157 675 H GLN 86 H GLN 86 -0.379 8.705 2.501 676 HA GLN 86 HA GLN 86 -2.585 7.479 4.076 677 HB2 GLN 86 HB2 GLN 86 -2.989 9.506 2.696 678 HB3 GLN 86 HB3 GLN 86 -2.625 8.582 1.235 679 HG2 GLN 86 HG2 GLN 86 -4.594 7.197 1.548 680 HG3 GLN 86 HG3 GLN 86 -4.817 7.795 3.197 681 HE21 GLN 86 HE21 GLN 86 -4.848 9.074 -0.273 682 HE22 GLN 86 HE22 GLN 86 -6.094 10.246 0.242 683 H CYS 87 H CYS 87 -0.773 6.903 1.195 684 HA CYS 87 HA CYS 87 -1.593 4.262 0.442 685 HB2 CYS 87 HB2 CYS 87 -0.281 5.829 -0.930 686 HB3 CYS 87 HB3 CYS 87 1.073 5.757 0.197 687 HG CYS 87 HG CYS 87 -0.183 3.120 -1.347 688 H GLN 88 H GLN 88 0.893 5.335 2.691 689 HA GLN 88 HA GLN 88 2.115 2.816 3.059 690 HB2 GLN 88 HB2 GLN 88 2.111 5.418 4.533 691 HB3 GLN 88 HB3 GLN 88 2.594 4.042 5.521 692 HG2 GLN 88 HG2 GLN 88 3.837 4.531 2.789 693 HG3 GLN 88 HG3 GLN 88 4.430 5.315 4.264 694 HE21 GLN 88 HE21 GLN 88 3.263 1.898 4.613 695 HE22 GLN 88 HE22 GLN 88 4.957 1.346 4.667 Start of MODEL 11 1 H1 MET 1 H1 MET 1 1.222 -0.567 -3.013 2 H2 MET 1 H2 MET 1 1.693 0.672 -2.027 3 H3 MET 1 H3 MET 1 1.055 -0.701 -1.377 4 HA MET 1 HA MET 1 3.366 -0.764 -1.008 5 HB2 MET 1 HB2 MET 1 2.476 -2.923 -1.419 6 HB3 MET 1 HB3 MET 1 2.321 -2.630 -3.157 7 HG2 MET 1 HG2 MET 1 4.748 -2.675 -3.422 8 HG3 MET 1 HG3 MET 1 4.961 -2.889 -1.679 9 HE1 MET 1 HE1 MET 1 5.383 -4.698 -4.821 10 HE2 MET 1 HE2 MET 1 6.489 -4.794 -3.433 11 HE3 MET 1 HE3 MET 1 5.682 -6.260 -4.028 12 H ALA 2 H ALA 2 4.552 0.986 -1.490 13 HA ALA 2 HA ALA 2 5.316 2.761 -2.554 14 HB1 ALA 2 HB1 ALA 2 6.517 2.629 -4.623 15 HB2 ALA 2 HB2 ALA 2 6.858 1.150 -3.718 16 HB3 ALA 2 HB3 ALA 2 5.714 1.113 -5.073 17 H LEU 3 H LEU 3 4.890 4.193 -4.593 18 HA LEU 3 HA LEU 3 2.198 3.912 -5.779 19 HB2 LEU 3 HB2 LEU 3 2.548 5.530 -3.646 20 HB3 LEU 3 HB3 LEU 3 3.217 6.585 -4.899 21 HG LEU 3 HG LEU 3 1.110 6.518 -6.155 22 HD11 LEU 3 HD11 LEU 3 -0.966 5.690 -5.032 23 HD12 LEU 3 HD12 LEU 3 0.048 4.907 -3.800 24 HD13 LEU 3 HD13 LEU 3 0.122 4.385 -5.496 25 HD21 LEU 3 HD21 LEU 3 1.527 8.293 -4.455 26 HD22 LEU 3 HD22 LEU 3 0.731 7.291 -3.228 27 HD23 LEU 3 HD23 LEU 3 -0.198 7.921 -4.606 28 H ALA 4 H ALA 4 2.336 4.200 -7.925 29 HA ALA 4 HA ALA 4 4.877 4.834 -9.168 30 HB1 ALA 4 HB1 ALA 4 2.187 3.866 -10.237 31 HB2 ALA 4 HB2 ALA 4 3.667 3.972 -11.197 32 HB3 ALA 4 HB3 ALA 4 3.600 2.867 -9.814 33 H VAL 5 H VAL 5 5.423 7.039 -9.455 34 HA VAL 5 HA VAL 5 3.447 8.812 -10.737 35 HB VAL 5 HB VAL 5 6.256 9.551 -10.150 36 HG11 VAL 5 HG11 VAL 5 5.150 11.054 -11.660 37 HG12 VAL 5 HG12 VAL 5 3.753 11.194 -10.566 38 HG13 VAL 5 HG13 VAL 5 5.336 11.851 -10.103 39 HG21 VAL 5 HG21 VAL 5 5.143 8.933 -7.944 40 HG22 VAL 5 HG22 VAL 5 5.686 10.600 -8.069 41 HG23 VAL 5 HG23 VAL 5 3.971 10.218 -8.261 42 H ARG 6 H ARG 6 3.712 9.448 -12.748 43 HA ARG 6 HA ARG 6 6.111 8.717 -14.330 44 HB2 ARG 6 HB2 ARG 6 3.298 8.006 -15.230 45 HB3 ARG 6 HB3 ARG 6 4.485 8.555 -16.414 46 HG2 ARG 6 HG2 ARG 6 4.723 6.250 -16.525 47 HG3 ARG 6 HG3 ARG 6 6.077 6.782 -15.521 48 HD2 ARG 6 HD2 ARG 6 4.471 6.297 -13.534 49 HD3 ARG 6 HD3 ARG 6 3.502 5.418 -14.711 50 HE ARG 6 HE ARG 6 5.473 3.923 -15.086 51 HH11 ARG 6 HH11 ARG 6 5.739 5.816 -12.109 52 HH12 ARG 6 HH12 ARG 6 6.644 4.493 -11.386 53 HH21 ARG 6 HH21 ARG 6 6.937 2.525 -13.918 54 HH22 ARG 6 HH22 ARG 6 7.297 3.016 -12.276 55 H VAL 7 H VAL 7 6.422 10.088 -16.115 56 HA VAL 7 HA VAL 7 5.067 12.741 -16.039 57 HB VAL 7 HB VAL 7 8.066 12.502 -16.295 58 HG11 VAL 7 HG11 VAL 7 6.201 14.899 -16.007 59 HG12 VAL 7 HG12 VAL 7 7.980 14.970 -16.041 60 HG13 VAL 7 HG13 VAL 7 7.089 14.439 -17.461 61 HG21 VAL 7 HG21 VAL 7 8.255 13.612 -14.127 62 HG22 VAL 7 HG22 VAL 7 6.515 13.315 -13.851 63 HG23 VAL 7 HG23 VAL 7 7.644 11.958 -14.025 64 H VAL 8 H VAL 8 4.061 12.616 -17.944 65 HA VAL 8 HA VAL 8 5.278 11.441 -20.345 66 HB VAL 8 HB VAL 8 2.866 13.266 -20.332 67 HG11 VAL 8 HG11 VAL 8 3.825 12.886 -22.537 68 HG12 VAL 8 HG12 VAL 8 3.838 11.130 -22.269 69 HG13 VAL 8 HG13 VAL 8 2.297 12.004 -22.399 70 HG21 VAL 8 HG21 VAL 8 2.350 11.424 -18.794 71 HG22 VAL 8 HG22 VAL 8 1.452 11.248 -20.304 72 HG23 VAL 8 HG23 VAL 8 2.884 10.242 -20.014 73 H TYR 9 H TYR 9 6.816 12.537 -21.664 74 HA TYR 9 HA TYR 9 6.339 15.396 -22.007 75 HB2 TYR 9 HB2 TYR 9 7.925 15.403 -20.168 76 HB3 TYR 9 HB3 TYR 9 9.008 14.346 -21.076 77 HD1 TYR 9 HD2 TYR 9 7.213 17.608 -21.672 78 HD2 TYR 9 HD1 TYR 9 10.900 15.422 -21.921 79 HE1 TYR 9 HE2 TYR 9 8.356 19.661 -22.515 80 HE2 TYR 9 HE1 TYR 9 12.034 17.483 -22.800 81 HH TYR 9 HH TYR 9 11.535 19.582 -23.842 82 H SER 10 H SER 10 7.380 16.271 -23.849 83 HA SER 10 HA SER 10 7.657 14.403 -26.104 84 HB2 SER 10 HB2 SER 10 6.668 16.660 -26.417 85 HB3 SER 10 HB3 SER 10 8.274 17.370 -26.124 86 HG SER 10 HG SER 10 7.332 15.775 -28.243 87 H GLY 11 H GLY 11 9.389 13.246 -26.206 88 HA2 GLY 11 HA2 GLY 11 11.710 13.480 -24.659 89 HA3 GLY 11 HA3 GLY 11 11.518 12.396 -26.040 90 H ALA 12 H ALA 12 11.559 15.884 -26.474 91 HA ALA 12 HA ALA 12 13.493 15.837 -28.571 92 HB1 ALA 12 HB1 ALA 12 12.217 18.153 -27.066 93 HB2 ALA 12 HB2 ALA 12 12.981 18.233 -28.666 94 HB3 ALA 12 HB3 ALA 12 11.499 17.287 -28.444 95 H CYS 13 H CYS 13 14.894 14.880 -26.404 96 HA CYS 13 HA CYS 13 16.780 14.997 -25.144 97 HB2 CYS 13 HB2 CYS 13 17.568 15.612 -27.534 98 HB3 CYS 13 HB3 CYS 13 17.826 17.237 -26.866 99 HG CYS 13 HG CYS 13 20.113 15.929 -26.895 100 H GLY 14 H GLY 14 18.480 16.834 -24.169 101 HA2 GLY 14 HA2 GLY 14 18.793 18.142 -22.289 102 HA3 GLY 14 HA3 GLY 14 17.385 19.069 -22.818 103 H TYR 15 H TYR 15 15.644 16.590 -22.438 104 HA TYR 15 HA TYR 15 14.610 17.192 -19.965 105 HB2 TYR 15 HB2 TYR 15 13.174 15.255 -20.241 106 HB3 TYR 15 HB3 TYR 15 13.373 16.125 -21.754 107 HD1 TYR 15 HD1 TYR 15 14.500 15.131 -23.675 108 HD2 TYR 15 HD2 TYR 15 13.957 12.950 -19.999 109 HE1 TYR 15 HE1 TYR 15 15.247 13.037 -24.806 110 HE2 TYR 15 HE2 TYR 15 14.622 10.845 -21.155 111 HH TYR 15 HH TYR 15 14.768 10.365 -24.244 112 H LYS 16 H LYS 16 16.912 14.554 -20.544 113 HA LYS 16 HA LYS 16 16.529 13.104 -18.212 114 HB2 LYS 16 HB2 LYS 16 18.868 13.414 -20.056 115 HB3 LYS 16 HB3 LYS 16 19.169 12.610 -18.500 116 HG2 LYS 16 HG2 LYS 16 17.607 10.916 -18.866 117 HG3 LYS 16 HG3 LYS 16 16.749 11.811 -20.119 118 HD2 LYS 16 HD2 LYS 16 19.530 10.643 -20.510 119 HD3 LYS 16 HD3 LYS 16 18.008 9.836 -20.922 120 HE2 LYS 16 HE2 LYS 16 17.504 12.105 -22.217 121 HE3 LYS 16 HE3 LYS 16 19.273 12.267 -22.196 122 HZ1 LYS 16 HZ1 LYS 16 19.325 10.011 -23.250 123 HZ2 LYS 16 HZ2 LYS 16 18.550 11.121 -24.189 124 HZ3 LYS 16 HZ3 LYS 16 17.674 10.044 -23.340 125 HA PRO 17 HA PRO 17 19.338 15.379 -15.226 126 HB2 PRO 17 HB2 PRO 17 20.336 17.884 -15.771 127 HB3 PRO 17 HB3 PRO 17 21.190 16.370 -16.201 128 HG2 PRO 17 HG2 PRO 17 19.424 18.080 -17.985 129 HG3 PRO 17 HG3 PRO 17 21.059 17.433 -18.340 130 HD2 PRO 17 HD2 PRO 17 18.827 16.179 -19.222 131 HD3 PRO 17 HD3 PRO 17 20.231 15.239 -18.632 132 H LYS 18 H LYS 18 17.089 17.355 -17.206 133 HA LYS 18 HA LYS 18 16.130 18.980 -14.979 134 HB2 LYS 18 HB2 LYS 18 14.836 18.236 -17.607 135 HB3 LYS 18 HB3 LYS 18 14.138 19.350 -16.419 136 HG2 LYS 18 HG2 LYS 18 16.134 20.814 -16.625 137 HG3 LYS 18 HG3 LYS 18 16.796 19.739 -17.875 138 HD2 LYS 18 HD2 LYS 18 14.872 20.173 -19.329 139 HD3 LYS 18 HD3 LYS 18 14.090 21.138 -18.056 140 HE2 LYS 18 HE2 LYS 18 16.066 22.695 -18.093 141 HE3 LYS 18 HE3 LYS 18 16.722 21.780 -19.461 142 HZ1 LYS 18 HZ1 LYS 18 14.688 22.340 -20.698 143 HZ2 LYS 18 HZ2 LYS 18 15.471 23.710 -20.223 144 HZ3 LYS 18 HZ3 LYS 18 14.121 23.214 -19.428 145 H TYR 19 H TYR 19 15.026 15.928 -16.410 146 HA TYR 19 HA TYR 19 12.876 15.329 -14.639 147 HB2 TYR 19 HB2 TYR 19 14.677 13.800 -16.494 148 HB3 TYR 19 HB3 TYR 19 13.945 12.886 -15.187 149 HD1 TYR 19 HD2 TYR 19 12.806 15.524 -17.639 150 HD2 TYR 19 HD1 TYR 19 12.000 11.751 -15.691 151 HE1 TYR 19 HE2 TYR 19 10.696 15.261 -18.977 152 HE2 TYR 19 HE1 TYR 19 9.929 11.514 -17.040 153 HH TYR 19 HH TYR 19 8.458 12.540 -18.609 154 H LEU 20 H LEU 20 16.320 14.237 -14.489 155 HA LEU 20 HA LEU 20 16.164 12.960 -11.987 156 HB2 LEU 20 HB2 LEU 20 18.375 14.493 -13.301 157 HB3 LEU 20 HB3 LEU 20 18.668 13.588 -11.867 158 HG LEU 20 HG LEU 20 17.701 12.307 -14.463 159 HD11 LEU 20 HD11 LEU 20 20.006 13.181 -14.648 160 HD12 LEU 20 HD12 LEU 20 19.998 11.410 -14.598 161 HD13 LEU 20 HD13 LEU 20 20.452 12.335 -13.150 162 HD21 LEU 20 HD21 LEU 20 18.627 11.107 -11.822 163 HD22 LEU 20 HD22 LEU 20 18.355 10.192 -13.319 164 HD23 LEU 20 HD23 LEU 20 16.998 10.997 -12.525 165 H GLN 21 H GLN 21 16.877 16.481 -12.544 166 HA GLN 21 HA GLN 21 17.534 17.030 -9.892 167 HB2 GLN 21 HB2 GLN 21 17.886 18.436 -11.938 168 HB3 GLN 21 HB3 GLN 21 16.160 18.826 -11.986 169 HG2 GLN 21 HG2 GLN 21 17.980 19.354 -9.637 170 HG3 GLN 21 HG3 GLN 21 17.786 20.532 -10.953 171 HE21 GLN 21 HE21 GLN 21 17.106 21.071 -8.118 172 HE22 GLN 21 HE22 GLN 21 15.353 21.346 -8.208 173 H LEU 22 H LEU 22 14.309 17.047 -11.426 174 HA LEU 22 HA LEU 22 12.868 17.577 -8.958 175 HB2 LEU 22 HB2 LEU 22 11.902 18.025 -11.173 176 HB3 LEU 22 HB3 LEU 22 12.026 16.313 -11.599 177 HG LEU 22 HG LEU 22 10.391 15.752 -9.797 178 HD11 LEU 22 HD11 LEU 22 10.699 17.675 -8.272 179 HD12 LEU 22 HD12 LEU 22 9.018 17.598 -8.822 180 HD13 LEU 22 HD13 LEU 22 10.129 18.785 -9.536 181 HD21 LEU 22 HD21 LEU 22 9.428 17.832 -11.795 182 HD22 LEU 22 HD22 LEU 22 8.419 16.631 -10.951 183 HD23 LEU 22 HD23 LEU 22 9.649 16.097 -12.105 184 H LYS 23 H LYS 23 13.772 14.614 -10.725 185 HA LYS 23 HA LYS 23 12.159 12.826 -9.150 186 HB2 LYS 23 HB2 LYS 23 13.562 12.526 -11.537 187 HB3 LYS 23 HB3 LYS 23 14.620 11.669 -10.402 188 HG2 LYS 23 HG2 LYS 23 11.754 11.134 -10.304 189 HG3 LYS 23 HG3 LYS 23 12.584 10.544 -11.736 190 HD2 LYS 23 HD2 LYS 23 13.707 9.875 -8.979 191 HD3 LYS 23 HD3 LYS 23 12.326 8.997 -9.625 192 HE2 LYS 23 HE2 LYS 23 13.643 8.684 -11.763 193 HE3 LYS 23 HE3 LYS 23 15.075 9.133 -10.801 194 HZ1 LYS 23 HZ1 LYS 23 14.587 6.638 -10.762 195 HZ2 LYS 23 HZ2 LYS 23 13.173 7.002 -9.951 196 HZ3 LYS 23 HZ3 LYS 23 14.515 7.320 -9.251 197 H GLU 24 H GLU 24 15.630 13.378 -9.103 198 HA GLU 24 HA GLU 24 16.504 11.976 -6.848 199 HB2 GLU 24 HB2 GLU 24 17.905 13.444 -8.373 200 HB3 GLU 24 HB3 GLU 24 17.131 14.853 -7.668 201 HG2 GLU 24 HG2 GLU 24 18.330 13.209 -5.552 202 HG3 GLU 24 HG3 GLU 24 19.508 13.576 -6.820 203 H LYS 25 H LYS 25 14.803 15.109 -6.827 204 HA LYS 25 HA LYS 25 15.008 15.454 -3.957 205 HB2 LYS 25 HB2 LYS 25 14.008 16.973 -6.236 206 HB3 LYS 25 HB3 LYS 25 12.656 16.783 -5.136 207 HG2 LYS 25 HG2 LYS 25 13.815 18.839 -4.651 208 HG3 LYS 25 HG3 LYS 25 13.933 17.697 -3.295 209 HD2 LYS 25 HD2 LYS 25 16.039 18.993 -3.763 210 HD3 LYS 25 HD3 LYS 25 16.251 17.236 -3.808 211 HE2 LYS 25 HE2 LYS 25 16.033 17.292 -6.293 212 HE3 LYS 25 HE3 LYS 25 15.945 19.063 -6.251 213 HZ1 LYS 25 HZ1 LYS 25 18.142 17.373 -5.203 214 HZ2 LYS 25 HZ2 LYS 25 18.239 19.018 -5.339 215 HZ3 LYS 25 HZ3 LYS 25 18.227 17.947 -6.630 216 H LEU 26 H LEU 26 12.479 14.199 -6.000 217 HA LEU 26 HA LEU 26 10.525 13.687 -3.992 218 HB2 LEU 26 HB2 LEU 26 11.050 13.084 -6.914 219 HB3 LEU 26 HB3 LEU 26 9.997 11.995 -6.034 220 HG LEU 26 HG LEU 26 8.765 13.998 -5.200 221 HD11 LEU 26 HD11 LEU 26 10.345 15.776 -5.817 222 HD12 LEU 26 HD12 LEU 26 8.768 16.040 -6.575 223 HD13 LEU 26 HD13 LEU 26 10.107 15.372 -7.528 224 HD21 LEU 26 HD21 LEU 26 7.846 12.498 -6.945 225 HD22 LEU 26 HD22 LEU 26 8.629 13.500 -8.193 226 HD23 LEU 26 HD23 LEU 26 7.330 14.173 -7.184 227 H GLU 27 H GLU 27 12.663 11.428 -5.664 228 HA GLU 27 HA GLU 27 12.220 9.208 -3.868 229 HB2 GLU 27 HB2 GLU 27 13.944 9.889 -6.175 230 HB3 GLU 27 HB3 GLU 27 14.702 8.789 -5.035 231 HG2 GLU 27 HG2 GLU 27 12.916 7.229 -5.122 232 HG3 GLU 27 HG3 GLU 27 11.853 8.315 -5.997 233 H HIS 28 H HIS 28 14.614 11.867 -3.652 234 HA HIS 28 HA HIS 28 15.943 10.811 -1.334 235 HB2 HIS 28 HB2 HIS 28 16.783 12.772 -2.476 236 HB3 HIS 28 HB3 HIS 28 15.301 13.667 -2.153 237 HD1 HIS 28 HD1 HIS 28 16.303 12.002 0.990 238 HD2 HIS 28 HD2 HIS 28 17.005 15.537 -1.129 239 HE1 HIS 28 HE1 HIS 28 17.423 13.623 2.644 240 H GLU 29 H GLU 29 12.938 12.729 -1.681 241 HA GLU 29 HA GLU 29 12.528 13.060 1.124 242 HB2 GLU 29 HB2 GLU 29 11.166 13.694 -1.451 243 HB3 GLU 29 HB3 GLU 29 10.091 13.491 -0.098 244 HG2 GLU 29 HG2 GLU 29 12.592 15.252 0.083 245 HG3 GLU 29 HG3 GLU 29 11.109 15.854 -0.656 246 H PHE 30 H PHE 30 11.222 10.785 -1.243 247 HA PHE 30 HA PHE 30 10.197 9.020 0.933 248 HB2 PHE 30 HB2 PHE 30 8.064 8.825 -0.537 249 HB3 PHE 30 HB3 PHE 30 8.302 10.131 0.586 250 HD1 PHE 30 HD2 PHE 30 8.924 9.471 -3.109 251 HD2 PHE 30 HD1 PHE 30 7.728 12.233 -0.043 252 HE1 PHE 30 HE2 PHE 30 8.079 11.022 -4.840 253 HE2 PHE 30 HE1 PHE 30 6.961 13.837 -1.777 254 HZ PHE 30 HZ PHE 30 7.066 13.212 -4.160 255 HA PRO 31 HA PRO 31 12.335 6.655 -2.463 256 HB2 PRO 31 HB2 PRO 31 14.104 5.230 -0.860 257 HB3 PRO 31 HB3 PRO 31 14.477 6.767 -1.672 258 HG2 PRO 31 HG2 PRO 31 13.657 6.267 1.197 259 HG3 PRO 31 HG3 PRO 31 14.859 7.445 0.580 260 HD2 PRO 31 HD2 PRO 31 12.282 8.104 1.332 261 HD3 PRO 31 HD3 PRO 31 13.197 9.006 0.091 262 H GLY 32 H GLY 32 11.535 4.717 -2.991 263 HA2 GLY 32 HA2 GLY 32 10.531 2.627 -2.938 264 HA3 GLY 32 HA3 GLY 32 11.051 2.481 -1.254 265 H CYS 33 H CYS 33 9.466 4.814 -0.427 266 HA CYS 33 HA CYS 33 6.787 3.921 -0.075 267 HB2 CYS 33 HB2 CYS 33 7.810 6.751 -0.197 268 HB3 CYS 33 HB3 CYS 33 6.352 6.195 0.605 269 HG CYS 33 HG CYS 33 7.524 4.715 2.389 270 H LEU 34 H LEU 34 8.454 5.317 -2.737 271 HA LEU 34 HA LEU 34 6.091 5.478 -4.479 272 HB2 LEU 34 HB2 LEU 34 7.641 7.726 -3.254 273 HB3 LEU 34 HB3 LEU 34 7.381 7.859 -4.976 274 HG LEU 34 HG LEU 34 4.898 7.014 -3.733 275 HD11 LEU 34 HD11 LEU 34 6.036 9.483 -2.481 276 HD12 LEU 34 HD12 LEU 34 5.796 7.914 -1.688 277 HD13 LEU 34 HD13 LEU 34 4.392 8.819 -2.271 278 HD21 LEU 34 HD21 LEU 34 5.043 8.165 -5.862 279 HD22 LEU 34 HD22 LEU 34 5.695 9.615 -5.075 280 HD23 LEU 34 HD23 LEU 34 4.027 9.084 -4.736 281 H ASP 35 H ASP 35 6.587 5.929 -6.598 282 HA ASP 35 HA ASP 35 9.463 5.619 -7.518 283 HB2 ASP 35 HB2 ASP 35 8.112 3.538 -7.905 284 HB3 ASP 35 HB3 ASP 35 6.942 4.520 -8.772 285 H ILE 36 H ILE 36 9.938 6.763 -9.448 286 HA ILE 36 HA ILE 36 7.823 8.322 -10.725 287 HB ILE 36 HB ILE 36 10.418 9.563 -10.273 288 HG12 ILE 36 HG12 ILE 36 8.986 11.241 -8.696 289 HG13 ILE 36 HG13 ILE 36 8.294 9.687 -8.249 290 HG21 ILE 36 HG21 ILE 36 9.137 10.418 -12.179 291 HG22 ILE 36 HG22 ILE 36 7.809 10.862 -11.093 292 HG23 ILE 36 HG23 ILE 36 9.375 11.680 -10.971 293 HD11 ILE 36 HD11 ILE 36 10.734 8.872 -7.980 294 HD12 ILE 36 HD12 ILE 36 11.240 10.567 -8.155 295 HD13 ILE 36 HD13 ILE 36 10.193 10.040 -6.797 296 H CYS 37 H CYS 37 7.882 7.545 -12.417 297 HA CYS 37 HA CYS 37 10.266 7.011 -14.203 298 HB2 CYS 37 HB2 CYS 37 7.587 5.809 -13.989 299 HB3 CYS 37 HB3 CYS 37 8.136 5.991 -15.649 300 HG CYS 37 HG CYS 37 10.529 4.819 -15.206 301 H GLY 38 H GLY 38 9.502 7.307 -16.596 302 HA2 GLY 38 HA2 GLY 38 8.067 9.861 -17.052 303 HA3 GLY 38 HA3 GLY 38 9.609 9.559 -17.865 304 H GLU 39 H GLU 39 7.465 10.043 -19.376 305 HA GLU 39 HA GLU 39 7.389 7.621 -21.027 306 HB2 GLU 39 HB2 GLU 39 5.275 7.481 -19.997 307 HB3 GLU 39 HB3 GLU 39 4.924 9.202 -20.225 308 HG2 GLU 39 HG2 GLU 39 3.708 7.670 -21.814 309 HG3 GLU 39 HG3 GLU 39 4.682 8.901 -22.619 310 H GLY 40 H GLY 40 8.683 8.338 -22.448 311 HA2 GLY 40 HA2 GLY 40 8.879 11.248 -23.132 312 HA3 GLY 40 HA3 GLY 40 10.154 10.098 -23.370 313 H THR 41 H THR 41 6.837 10.541 -24.238 314 HA THR 41 HA THR 41 6.539 9.407 -26.747 315 HB THR 41 HB THR 41 4.643 10.075 -25.577 316 HG1 THR 41 HG1 THR 41 4.591 12.148 -27.410 317 HG21 THR 41 HG21 THR 41 4.010 12.448 -25.126 318 HG22 THR 41 HG22 THR 41 5.658 12.941 -25.585 319 HG23 THR 41 HG23 THR 41 5.398 11.897 -24.179 320 HA PRO 42 HA PRO 42 8.888 11.973 -29.510 321 HB2 PRO 42 HB2 PRO 42 8.130 11.008 -31.936 322 HB3 PRO 42 HB3 PRO 42 8.837 9.950 -30.688 323 HG2 PRO 42 HG2 PRO 42 5.872 10.421 -31.210 324 HG3 PRO 42 HG3 PRO 42 6.751 8.852 -31.224 325 HD2 PRO 42 HD2 PRO 42 5.492 9.744 -28.997 326 HD3 PRO 42 HD3 PRO 42 7.062 8.894 -28.888 327 H GLN 43 H GLN 43 8.069 12.849 -32.060 328 HA GLN 43 HA GLN 43 7.102 15.437 -31.773 329 HB2 GLN 43 HB2 GLN 43 6.884 15.418 -34.204 330 HB3 GLN 43 HB3 GLN 43 8.357 14.593 -33.709 331 HG2 GLN 43 HG2 GLN 43 7.269 12.388 -34.068 332 HG3 GLN 43 HG3 GLN 43 5.764 13.191 -34.524 333 HE21 GLN 43 HE21 GLN 43 7.733 11.368 -36.114 334 HE22 GLN 43 HE22 GLN 43 7.985 12.387 -37.546 335 H VAL 44 H VAL 44 5.210 16.369 -32.952 336 HA VAL 44 HA VAL 44 3.033 16.941 -32.983 337 HB VAL 44 HB VAL 44 2.230 14.033 -32.636 338 HG11 VAL 44 HG11 VAL 44 0.397 15.604 -32.176 339 HG12 VAL 44 HG12 VAL 44 0.724 16.458 -33.698 340 HG13 VAL 44 HG13 VAL 44 0.135 14.780 -33.713 341 HG21 VAL 44 HG21 VAL 44 2.661 15.666 -35.180 342 HG22 VAL 44 HG22 VAL 44 3.609 14.252 -34.668 343 HG23 VAL 44 HG23 VAL 44 1.913 14.055 -35.102 344 H THR 45 H THR 45 3.734 14.608 -30.364 345 HA THR 45 HA THR 45 2.087 16.154 -28.463 346 HB THR 45 HB THR 45 2.950 14.803 -26.725 347 HG1 THR 45 HG1 THR 45 4.958 14.022 -28.555 348 HG21 THR 45 HG21 THR 45 1.239 13.795 -28.273 349 HG22 THR 45 HG22 THR 45 2.221 12.623 -27.380 350 HG23 THR 45 HG23 THR 45 2.565 12.937 -29.091 351 H GLY 46 H GLY 46 2.874 17.446 -26.731 352 HA2 GLY 46 HA2 GLY 46 5.578 18.580 -26.745 353 HA3 GLY 46 HA3 GLY 46 4.371 19.574 -27.575 354 H PHE 47 H PHE 47 4.454 17.648 -24.535 355 HA PHE 47 HA PHE 47 3.601 19.931 -22.868 356 HB2 PHE 47 HB2 PHE 47 1.657 18.397 -22.122 357 HB3 PHE 47 HB3 PHE 47 1.508 19.411 -23.548 358 HD1 PHE 47 HD1 PHE 47 2.528 15.866 -22.647 359 HD2 PHE 47 HD2 PHE 47 0.561 18.495 -25.453 360 HE1 PHE 47 HE1 PHE 47 1.726 13.903 -23.933 361 HE2 PHE 47 HE2 PHE 47 -0.248 16.523 -26.726 362 HZ PHE 47 HZ PHE 47 0.301 14.225 -25.942 363 H PHE 48 H PHE 48 3.389 19.083 -20.465 364 HA PHE 48 HA PHE 48 5.458 17.045 -19.864 365 HB2 PHE 48 HB2 PHE 48 6.587 19.311 -20.109 366 HB3 PHE 48 HB3 PHE 48 5.618 19.860 -18.753 367 HD1 PHE 48 HD1 PHE 48 5.854 18.752 -16.490 368 HD2 PHE 48 HD2 PHE 48 8.715 18.236 -19.655 369 HE1 PHE 48 HE1 PHE 48 7.567 18.088 -14.833 370 HE2 PHE 48 HE2 PHE 48 10.401 17.550 -18.047 371 HZ PHE 48 HZ PHE 48 9.852 17.450 -15.605 372 H GLU 49 H GLU 49 3.971 15.682 -18.838 373 HA GLU 49 HA GLU 49 1.964 16.910 -17.046 374 HB2 GLU 49 HB2 GLU 49 1.765 14.519 -18.889 375 HB3 GLU 49 HB3 GLU 49 0.481 15.421 -18.122 376 HG2 GLU 49 HG2 GLU 49 2.263 16.436 -20.387 377 HG3 GLU 49 HG3 GLU 49 0.668 15.759 -20.581 378 H VAL 50 H VAL 50 1.914 16.125 -14.951 379 HA VAL 50 HA VAL 50 3.580 13.674 -14.403 380 HB VAL 50 HB VAL 50 3.035 15.927 -12.460 381 HG11 VAL 50 HG11 VAL 50 3.434 13.892 -11.276 382 HG12 VAL 50 HG12 VAL 50 4.815 13.486 -12.314 383 HG13 VAL 50 HG13 VAL 50 4.907 14.859 -11.190 384 HG21 VAL 50 HG21 VAL 50 5.676 15.337 -13.854 385 HG22 VAL 50 HG22 VAL 50 4.591 16.619 -14.386 386 HG23 VAL 50 HG23 VAL 50 5.304 16.683 -12.769 387 H THR 51 H THR 51 2.448 11.968 -13.847 388 HA THR 51 HA THR 51 -0.135 12.328 -12.379 389 HB THR 51 HB THR 51 0.240 9.971 -14.170 390 HG1 THR 51 HG1 THR 51 -0.605 11.167 -15.924 391 HG21 THR 51 HG21 THR 51 -2.105 10.100 -14.548 392 HG22 THR 51 HG22 THR 51 -2.206 11.646 -13.683 393 HG23 THR 51 HG23 THR 51 -1.742 10.150 -12.818 394 H VAL 52 H VAL 52 -0.405 11.064 -10.622 395 HA VAL 52 HA VAL 52 1.510 8.865 -10.010 396 HB VAL 52 HB VAL 52 1.895 10.867 -8.648 397 HG11 VAL 52 HG11 VAL 52 0.372 11.644 -6.947 398 HG12 VAL 52 HG12 VAL 52 -0.420 11.786 -8.514 399 HG13 VAL 52 HG13 VAL 52 -0.856 10.466 -7.406 400 HG21 VAL 52 HG21 VAL 52 2.297 8.543 -7.765 401 HG22 VAL 52 HG22 VAL 52 1.959 9.736 -6.501 402 HG23 VAL 52 HG23 VAL 52 0.690 8.610 -7.005 403 H ALA 53 H ALA 53 0.660 6.939 -9.781 404 HA ALA 53 HA ALA 53 -0.957 5.291 -10.032 405 HB1 ALA 53 HB1 ALA 53 -0.626 5.518 -7.637 406 HB2 ALA 53 HB2 ALA 53 -1.957 6.696 -7.535 407 HB3 ALA 53 HB3 ALA 53 -2.286 5.011 -7.995 408 H GLY 54 H GLY 54 -1.593 7.463 -11.729 409 HA2 GLY 54 HA2 GLY 54 -3.350 7.962 -13.250 410 HA3 GLY 54 HA3 GLY 54 -4.427 6.933 -12.299 411 H LYS 55 H LYS 55 -2.613 9.682 -11.011 412 HA LYS 55 HA LYS 55 -4.985 11.489 -10.896 413 HB2 LYS 55 HB2 LYS 55 -3.006 11.098 -8.715 414 HB3 LYS 55 HB3 LYS 55 -4.441 12.111 -8.638 415 HG2 LYS 55 HG2 LYS 55 -4.311 9.065 -8.699 416 HG3 LYS 55 HG3 LYS 55 -4.667 10.057 -7.286 417 HD2 LYS 55 HD2 LYS 55 -6.839 10.524 -7.948 418 HD3 LYS 55 HD3 LYS 55 -6.458 10.432 -9.663 419 HE2 LYS 55 HE2 LYS 55 -5.916 7.844 -8.867 420 HE3 LYS 55 HE3 LYS 55 -7.261 8.256 -7.789 421 HZ1 LYS 55 HZ1 LYS 55 -8.012 7.330 -9.922 422 HZ2 LYS 55 HZ2 LYS 55 -7.191 8.503 -10.744 423 HZ3 LYS 55 HZ3 LYS 55 -8.506 8.902 -9.822 424 H LEU 56 H LEU 56 -4.395 13.225 -12.167 425 HA LEU 56 HA LEU 56 -1.570 13.884 -12.610 426 HB2 LEU 56 HB2 LEU 56 -3.086 13.977 -14.393 427 HB3 LEU 56 HB3 LEU 56 -4.154 15.141 -13.584 428 HG LEU 56 HG LEU 56 -1.257 15.882 -13.983 429 HD11 LEU 56 HD11 LEU 56 -1.789 14.877 -16.132 430 HD12 LEU 56 HD12 LEU 56 -1.700 16.629 -16.302 431 HD13 LEU 56 HD13 LEU 56 -3.289 15.831 -16.248 432 HD21 LEU 56 HD21 LEU 56 -2.879 17.460 -12.893 433 HD22 LEU 56 HD22 LEU 56 -3.860 17.436 -14.369 434 HD23 LEU 56 HD23 LEU 56 -2.216 18.111 -14.397 435 H VAL 57 H VAL 57 -0.431 15.320 -11.785 436 HA VAL 57 HA VAL 57 -1.532 17.168 -9.664 437 HB VAL 57 HB VAL 57 1.300 16.199 -9.525 438 HG11 VAL 57 HG11 VAL 57 -0.851 16.896 -7.453 439 HG12 VAL 57 HG12 VAL 57 0.811 16.440 -7.058 440 HG13 VAL 57 HG13 VAL 57 0.503 17.939 -7.944 441 HG21 VAL 57 HG21 VAL 57 -1.056 14.555 -8.502 442 HG22 VAL 57 HG22 VAL 57 0.163 14.045 -9.695 443 HG23 VAL 57 HG23 VAL 57 0.642 14.320 -8.022 444 H HIS 58 H HIS 58 0.337 16.877 -12.496 445 HA HIS 58 HA HIS 58 0.727 19.823 -12.666 446 HB2 HIS 58 HB2 HIS 58 2.772 18.528 -11.817 447 HB3 HIS 58 HB3 HIS 58 2.755 17.745 -13.404 448 HD1 HIS 58 HD1 HIS 58 2.929 21.519 -12.399 449 HD2 HIS 58 HD2 HIS 58 4.151 18.644 -15.224 450 HE1 HIS 58 HE1 HIS 58 4.525 22.671 -13.981 451 H SER 59 H SER 59 0.924 20.579 -14.762 452 HA SER 59 HA SER 59 0.946 18.915 -17.144 453 HB2 SER 59 HB2 SER 59 -1.474 18.924 -16.390 454 HB3 SER 59 HB3 SER 59 -1.434 20.627 -16.410 455 HG SER 59 HG SER 59 -1.053 18.986 -18.720 456 H LYS 60 H LYS 60 2.554 20.181 -18.226 457 HA LYS 60 HA LYS 60 2.394 23.098 -18.283 458 HB2 LYS 60 HB2 LYS 60 3.989 20.971 -19.609 459 HB3 LYS 60 HB3 LYS 60 3.744 22.390 -20.610 460 HG2 LYS 60 HG2 LYS 60 4.612 22.809 -17.737 461 HG3 LYS 60 HG3 LYS 60 5.783 22.207 -18.898 462 HD2 LYS 60 HD2 LYS 60 5.896 24.620 -18.661 463 HD3 LYS 60 HD3 LYS 60 5.560 24.106 -20.322 464 HE2 LYS 60 HE2 LYS 60 3.163 24.650 -20.021 465 HE3 LYS 60 HE3 LYS 60 3.482 25.207 -18.377 466 HZ1 LYS 60 HZ1 LYS 60 4.604 26.394 -20.859 467 HZ2 LYS 60 HZ2 LYS 60 4.915 26.946 -19.346 468 HZ3 LYS 60 HZ3 LYS 60 3.395 27.038 -19.961 469 H LYS 61 H LYS 61 0.820 20.575 -20.110 470 HA LYS 61 HA LYS 61 -0.164 22.133 -22.319 471 HB2 LYS 61 HB2 LYS 61 -0.275 19.637 -22.091 472 HB3 LYS 61 HB3 LYS 61 -1.569 19.832 -20.902 473 HG2 LYS 61 HG2 LYS 61 -3.029 20.827 -22.570 474 HG3 LYS 61 HG3 LYS 61 -1.703 20.929 -23.739 475 HD2 LYS 61 HD2 LYS 61 -3.174 19.129 -24.329 476 HD3 LYS 61 HD3 LYS 61 -1.612 18.467 -23.895 477 HE2 LYS 61 HE2 LYS 61 -3.826 18.638 -21.819 478 HE3 LYS 61 HE3 LYS 61 -3.890 17.389 -23.068 479 HZ1 LYS 61 HZ1 LYS 61 -1.660 16.654 -22.339 480 HZ2 LYS 61 HZ2 LYS 61 -2.780 16.511 -21.138 481 HZ3 LYS 61 HZ3 LYS 61 -1.690 17.696 -21.083 482 H ARG 62 H ARG 62 -1.697 21.593 -19.095 483 HA ARG 62 HA ARG 62 -3.862 23.432 -19.721 484 HB2 ARG 62 HB2 ARG 62 -4.783 22.757 -17.765 485 HB3 ARG 62 HB3 ARG 62 -3.770 21.371 -18.133 486 HG2 ARG 62 HG2 ARG 62 -3.436 21.594 -15.892 487 HG3 ARG 62 HG3 ARG 62 -2.042 22.490 -16.553 488 HD2 ARG 62 HD2 ARG 62 -2.864 24.513 -15.994 489 HD3 ARG 62 HD3 ARG 62 -4.528 23.945 -15.718 490 HE ARG 62 HE ARG 62 -2.099 23.395 -14.017 491 HH11 ARG 62 HH11 ARG 62 -5.546 23.927 -14.127 492 HH12 ARG 62 HH12 ARG 62 -5.720 23.785 -12.397 493 HH21 ARG 62 HH21 ARG 62 -2.363 23.128 -11.918 494 HH22 ARG 62 HH22 ARG 62 -3.919 23.370 -11.144 495 H GLY 63 H GLY 63 -0.706 23.951 -18.591 496 HA2 GLY 63 HA2 GLY 63 0.243 26.134 -18.348 497 HA3 GLY 63 HA3 GLY 63 -1.339 26.807 -17.933 498 H ASP 64 H ASP 64 -0.158 23.850 -16.345 499 HA ASP 64 HA ASP 64 -0.140 25.054 -13.711 500 HB2 ASP 64 HB2 ASP 64 -0.285 22.544 -14.505 501 HB3 ASP 64 HB3 ASP 64 1.481 22.608 -14.427 502 H GLY 65 H GLY 65 2.398 24.507 -16.111 503 HA2 GLY 65 HA2 GLY 65 4.417 25.509 -16.516 504 HA3 GLY 65 HA3 GLY 65 3.983 26.776 -15.357 505 H TYR 66 H TYR 66 6.580 25.598 -15.836 506 HA TYR 66 HA TYR 66 7.301 23.689 -13.881 507 HB2 TYR 66 HB2 TYR 66 9.038 25.798 -15.197 508 HB3 TYR 66 HB3 TYR 66 9.572 24.310 -14.443 509 HD1 TYR 66 HD2 TYR 66 8.207 22.094 -15.320 510 HD2 TYR 66 HD1 TYR 66 9.151 25.659 -17.586 511 HE1 TYR 66 HE2 TYR 66 8.176 20.780 -17.387 512 HE2 TYR 66 HE1 TYR 66 9.068 24.297 -19.700 513 HH TYR 66 HH TYR 66 8.589 20.782 -19.633 514 H VAL 67 H VAL 67 9.425 24.547 -12.470 515 HA VAL 67 HA VAL 67 7.824 25.668 -10.281 516 HB VAL 67 HB VAL 67 9.436 25.069 -8.758 517 HG11 VAL 67 HG11 VAL 67 7.607 23.538 -9.367 518 HG12 VAL 67 HG12 VAL 67 8.581 22.831 -10.673 519 HG13 VAL 67 HG13 VAL 67 9.045 22.572 -8.994 520 HG21 VAL 67 HG21 VAL 67 11.290 23.464 -9.296 521 HG22 VAL 67 HG22 VAL 67 10.956 23.648 -11.028 522 HG23 VAL 67 HG23 VAL 67 11.580 25.014 -10.084 523 H ASP 68 H ASP 68 7.653 27.552 -11.191 524 HA ASP 68 HA ASP 68 9.507 29.704 -11.353 525 HB2 ASP 68 HB2 ASP 68 6.577 29.617 -10.769 526 HB3 ASP 68 HB3 ASP 68 7.464 31.050 -11.236 527 H THR 69 H THR 69 7.882 28.168 -8.576 528 HA THR 69 HA THR 69 9.407 29.913 -6.775 529 HB THR 69 HB THR 69 7.072 29.352 -5.410 530 HG1 THR 69 HG1 THR 69 6.318 30.304 -7.916 531 HG21 THR 69 HG21 THR 69 6.564 31.771 -5.573 532 HG22 THR 69 HG22 THR 69 7.712 31.918 -6.923 533 HG23 THR 69 HG23 THR 69 8.294 31.495 -5.300 534 H GLU 70 H GLU 70 9.913 28.937 -4.837 535 HA GLU 70 HA GLU 70 10.221 26.202 -4.389 536 HB2 GLU 70 HB2 GLU 70 10.785 28.434 -3.020 537 HB3 GLU 70 HB3 GLU 70 9.304 28.113 -2.178 538 HG2 GLU 70 HG2 GLU 70 11.619 26.137 -2.376 539 HG3 GLU 70 HG3 GLU 70 11.326 27.220 -1.012 540 H SER 71 H SER 71 7.666 28.153 -3.313 541 HA SER 71 HA SER 71 5.649 26.508 -2.377 542 HB2 SER 71 HB2 SER 71 5.464 28.988 -2.801 543 HB3 SER 71 HB3 SER 71 5.066 28.632 -4.491 544 HG SER 71 HG SER 71 3.209 28.846 -3.024 545 H LYS 72 H LYS 72 6.387 26.932 -5.804 546 HA LYS 72 HA LYS 72 4.163 25.227 -6.599 547 HB2 LYS 72 HB2 LYS 72 5.251 27.242 -7.951 548 HB3 LYS 72 HB3 LYS 72 6.276 25.949 -8.596 549 HG2 LYS 72 HG2 LYS 72 3.933 24.652 -8.847 550 HG3 LYS 72 HG3 LYS 72 3.214 26.240 -8.639 551 HD2 LYS 72 HD2 LYS 72 5.168 25.406 -10.810 552 HD3 LYS 72 HD3 LYS 72 3.413 25.474 -10.975 553 HE2 LYS 72 HE2 LYS 72 3.480 27.931 -10.429 554 HE3 LYS 72 HE3 LYS 72 5.257 27.837 -10.445 555 HZ1 LYS 72 HZ1 LYS 72 4.575 28.456 -12.635 556 HZ2 LYS 72 HZ2 LYS 72 3.502 27.146 -12.731 557 HZ3 LYS 72 HZ3 LYS 72 5.143 26.962 -12.658 558 H PHE 73 H PHE 73 7.528 24.780 -6.109 559 HA PHE 73 HA PHE 73 7.575 21.945 -7.020 560 HB2 PHE 73 HB2 PHE 73 9.741 22.954 -6.932 561 HB3 PHE 73 HB3 PHE 73 9.420 23.763 -5.429 562 HD1 PHE 73 HD2 PHE 73 10.050 20.363 -6.882 563 HD2 PHE 73 HD1 PHE 73 10.052 22.852 -3.355 564 HE1 PHE 73 HE2 PHE 73 11.208 18.583 -5.613 565 HE2 PHE 73 HE1 PHE 73 11.186 21.064 -2.085 566 HZ PHE 73 HZ PHE 73 11.755 18.912 -3.197 567 H ARG 74 H ARG 74 7.461 23.493 -3.788 568 HA ARG 74 HA ARG 74 6.994 21.064 -2.447 569 HB2 ARG 74 HB2 ARG 74 7.461 23.808 -1.750 570 HB3 ARG 74 HB3 ARG 74 5.991 23.310 -0.914 571 HG2 ARG 74 HG2 ARG 74 7.219 21.270 -0.066 572 HG3 ARG 74 HG3 ARG 74 8.665 21.829 -0.907 573 HD2 ARG 74 HD2 ARG 74 8.854 22.348 1.424 574 HD3 ARG 74 HD3 ARG 74 8.750 23.830 0.506 575 HE ARG 74 HE ARG 74 6.449 22.619 2.001 576 HH11 ARG 74 HH11 ARG 74 8.042 25.583 0.921 577 HH12 ARG 74 HH12 ARG 74 7.296 26.556 2.135 578 HH21 ARG 74 HH21 ARG 74 5.484 23.960 3.525 579 HH22 ARG 74 HH22 ARG 74 5.841 25.674 3.530 580 H LYS 75 H LYS 75 4.602 23.006 -4.129 581 HA LYS 75 HA LYS 75 2.382 21.936 -2.633 582 HB2 LYS 75 HB2 LYS 75 0.907 22.821 -4.289 583 HB3 LYS 75 HB3 LYS 75 2.179 23.988 -3.969 584 HG2 LYS 75 HG2 LYS 75 1.959 24.152 -6.233 585 HG3 LYS 75 HG3 LYS 75 3.309 23.035 -6.087 586 HD2 LYS 75 HD2 LYS 75 1.887 21.145 -6.693 587 HD3 LYS 75 HD3 LYS 75 0.432 22.172 -6.606 588 HE2 LYS 75 HE2 LYS 75 1.420 23.601 -8.428 589 HE3 LYS 75 HE3 LYS 75 2.761 22.465 -8.566 590 HZ1 LYS 75 HZ1 LYS 75 -0.097 21.777 -9.102 591 HZ2 LYS 75 HZ2 LYS 75 1.163 20.760 -9.301 592 HZ3 LYS 75 HZ3 LYS 75 1.031 22.091 -10.226 593 H LEU 76 H LEU 76 4.457 20.610 -5.050 594 HA LEU 76 HA LEU 76 2.634 18.251 -5.296 595 HB2 LEU 76 HB2 LEU 76 3.872 19.382 -7.297 596 HB3 LEU 76 HB3 LEU 76 5.364 18.727 -6.645 597 HG LEU 76 HG LEU 76 3.015 16.903 -7.282 598 HD11 LEU 76 HD11 LEU 76 3.426 18.214 -9.313 599 HD12 LEU 76 HD12 LEU 76 3.985 16.549 -9.524 600 HD13 LEU 76 HD13 LEU 76 5.164 17.845 -9.222 601 HD21 LEU 76 HD21 LEU 76 4.832 15.254 -7.734 602 HD22 LEU 76 HD22 LEU 76 4.873 15.838 -6.074 603 HD23 LEU 76 HD23 LEU 76 6.039 16.470 -7.255 604 H VAL 77 H VAL 77 5.873 19.022 -4.274 605 HA VAL 77 HA VAL 77 6.304 16.289 -3.333 606 HB VAL 77 HB VAL 77 7.714 18.814 -2.397 607 HG11 VAL 77 HG11 VAL 77 8.395 15.896 -1.759 608 HG12 VAL 77 HG12 VAL 77 9.432 17.299 -1.442 609 HG13 VAL 77 HG13 VAL 77 7.919 17.138 -0.577 610 HG21 VAL 77 HG21 VAL 77 8.390 16.482 -4.253 611 HG22 VAL 77 HG22 VAL 77 8.157 18.187 -4.724 612 HG23 VAL 77 HG23 VAL 77 9.553 17.699 -3.745 613 H THR 78 H THR 78 4.925 19.070 -1.611 614 HA THR 78 HA THR 78 4.654 17.638 0.864 615 HB THR 78 HB THR 78 3.017 20.035 -0.053 616 HG1 THR 78 HG1 THR 78 5.013 20.673 -0.149 617 HG21 THR 78 HG21 THR 78 3.745 19.056 2.751 618 HG22 THR 78 HG22 THR 78 2.120 19.014 2.026 619 HG23 THR 78 HG23 THR 78 2.890 20.567 2.375 620 H ALA 79 H ALA 79 2.637 17.891 -2.036 621 HA ALA 79 HA ALA 79 0.338 16.803 -0.603 622 HB1 ALA 79 HB1 ALA 79 0.881 17.036 -3.605 623 HB2 ALA 79 HB2 ALA 79 -0.681 16.614 -2.869 624 HB3 ALA 79 HB3 ALA 79 0.006 18.227 -2.609 625 H ILE 80 H ILE 80 2.996 15.490 -2.314 626 HA ILE 80 HA ILE 80 1.918 12.729 -2.310 627 HB ILE 80 HB ILE 80 4.714 13.784 -2.799 628 HG12 ILE 80 HG12 ILE 80 3.159 14.511 -4.559 629 HG13 ILE 80 HG13 ILE 80 4.357 13.367 -5.153 630 HG21 ILE 80 HG21 ILE 80 4.933 11.497 -2.086 631 HG22 ILE 80 HG22 ILE 80 3.537 10.980 -3.049 632 HG23 ILE 80 HG23 ILE 80 5.041 11.467 -3.849 633 HD11 ILE 80 HD11 ILE 80 1.437 12.736 -4.529 634 HD12 ILE 80 HD12 ILE 80 2.160 12.965 -6.131 635 HD13 ILE 80 HD13 ILE 80 2.639 11.574 -5.147 636 H LYS 81 H LYS 81 3.897 14.753 -0.140 637 HA LYS 81 HA LYS 81 4.810 12.592 1.593 638 HB2 LYS 81 HB2 LYS 81 4.618 15.626 1.867 639 HB3 LYS 81 HB3 LYS 81 5.305 14.584 3.091 640 HG2 LYS 81 HG2 LYS 81 6.460 14.003 0.468 641 HG3 LYS 81 HG3 LYS 81 6.582 15.708 0.853 642 HD2 LYS 81 HD2 LYS 81 8.546 14.458 1.325 643 HD3 LYS 81 HD3 LYS 81 7.951 15.382 2.702 644 HE2 LYS 81 HE2 LYS 81 7.339 13.406 3.873 645 HE3 LYS 81 HE3 LYS 81 7.507 12.383 2.424 646 HZ1 LYS 81 HZ1 LYS 81 9.507 12.551 4.143 647 HZ2 LYS 81 HZ2 LYS 81 9.897 13.892 3.249 648 HZ3 LYS 81 HZ3 LYS 81 9.813 12.478 2.548 649 H ALA 82 H ALA 82 2.083 14.809 1.494 650 HA ALA 82 HA ALA 82 0.935 14.131 4.070 651 HB1 ALA 82 HB1 ALA 82 -1.066 15.277 3.175 652 HB2 ALA 82 HB2 ALA 82 0.404 16.225 2.876 653 HB3 ALA 82 HB3 ALA 82 -0.343 15.304 1.552 654 H ALA 83 H ALA 83 0.168 13.075 0.721 655 HA ALA 83 HA ALA 83 -1.709 11.060 1.397 656 HB1 ALA 83 HB1 ALA 83 -1.246 10.206 -0.869 657 HB2 ALA 83 HB2 ALA 83 -1.367 11.977 -0.883 658 HB3 ALA 83 HB3 ALA 83 0.228 11.196 -0.956 659 H LEU 84 H LEU 84 1.741 10.936 1.189 660 HA LEU 84 HA LEU 84 2.111 8.106 1.668 661 HB2 LEU 84 HB2 LEU 84 3.887 9.472 0.776 662 HB3 LEU 84 HB3 LEU 84 3.916 10.507 2.190 663 HG LEU 84 HG LEU 84 4.868 8.856 3.569 664 HD11 LEU 84 HD11 LEU 84 4.406 6.878 1.282 665 HD12 LEU 84 HD12 LEU 84 3.764 6.766 2.932 666 HD13 LEU 84 HD13 LEU 84 5.481 6.557 2.675 667 HD21 LEU 84 HD21 LEU 84 6.973 8.398 2.377 668 HD22 LEU 84 HD22 LEU 84 6.379 10.039 2.067 669 HD23 LEU 84 HD23 LEU 84 6.171 8.773 0.835 670 H ALA 85 H ALA 85 2.487 10.807 3.875 671 HA ALA 85 HA ALA 85 2.741 9.302 6.277 672 HB1 ALA 85 HB1 ALA 85 1.531 12.084 5.976 673 HB2 ALA 85 HB2 ALA 85 2.173 11.387 7.479 674 HB3 ALA 85 HB3 ALA 85 3.266 11.713 6.119 675 H GLN 86 H GLN 86 -0.079 9.766 4.520 676 HA GLN 86 HA GLN 86 -1.936 8.892 6.657 677 HB2 GLN 86 HB2 GLN 86 -2.576 10.678 5.058 678 HB3 GLN 86 HB3 GLN 86 -2.457 9.530 3.723 679 HG2 GLN 86 HG2 GLN 86 -4.329 8.247 4.574 680 HG3 GLN 86 HG3 GLN 86 -4.329 9.156 6.094 681 HE21 GLN 86 HE21 GLN 86 -5.895 10.802 6.186 682 HE22 GLN 86 HE22 GLN 86 -6.489 11.568 4.692 683 H CYS 87 H CYS 87 -0.585 7.694 3.685 684 HA CYS 87 HA CYS 87 -1.670 5.010 3.774 685 HB2 CYS 87 HB2 CYS 87 0.668 6.315 2.307 686 HB3 CYS 87 HB3 CYS 87 0.183 4.629 2.084 687 HG CYS 87 HG CYS 87 -1.481 7.415 1.534 688 H GLN 88 H GLN 88 1.181 6.484 5.264 689 HA GLN 88 HA GLN 88 2.680 4.081 5.615 690 HB2 GLN 88 HB2 GLN 88 3.361 6.640 5.834 691 HB3 GLN 88 HB3 GLN 88 2.941 6.392 7.537 692 HG2 GLN 88 HG2 GLN 88 4.549 4.260 7.266 693 HG3 GLN 88 HG3 GLN 88 5.137 5.154 5.858 694 HE21 GLN 88 HE21 GLN 88 5.523 4.723 9.227 695 HE22 GLN 88 HE22 GLN 88 6.411 6.243 9.483 Start of MODEL 12 1 H1 MET 1 H1 MET 1 3.268 -1.759 0.051 2 H2 MET 1 H2 MET 1 1.656 -1.607 0.188 3 H3 MET 1 H3 MET 1 2.631 -0.383 0.707 4 HA MET 1 HA MET 1 2.400 -1.317 -2.081 5 HB2 MET 1 HB2 MET 1 0.329 -0.313 -1.436 6 HB3 MET 1 HB3 MET 1 1.126 1.073 -0.680 7 HG2 MET 1 HG2 MET 1 1.749 1.920 -2.854 8 HG3 MET 1 HG3 MET 1 1.212 0.422 -3.646 9 HE1 MET 1 HE1 MET 1 0.445 3.114 -4.814 10 HE2 MET 1 HE2 MET 1 -0.234 1.593 -5.430 11 HE3 MET 1 HE3 MET 1 -1.310 2.965 -5.076 12 H ALA 2 H ALA 2 3.407 0.265 -3.658 13 HA ALA 2 HA ALA 2 5.152 2.344 -2.543 14 HB1 ALA 2 HB1 ALA 2 6.809 1.925 -4.370 15 HB2 ALA 2 HB2 ALA 2 6.740 0.589 -3.198 16 HB3 ALA 2 HB3 ALA 2 5.952 0.438 -4.793 17 H LEU 3 H LEU 3 5.500 4.058 -4.265 18 HA LEU 3 HA LEU 3 2.912 4.387 -5.716 19 HB2 LEU 3 HB2 LEU 3 3.734 5.785 -3.579 20 HB3 LEU 3 HB3 LEU 3 4.587 6.676 -4.851 21 HG LEU 3 HG LEU 3 2.446 7.139 -5.958 22 HD11 LEU 3 HD11 LEU 3 1.022 5.305 -5.233 23 HD12 LEU 3 HD12 LEU 3 0.331 6.815 -4.643 24 HD13 LEU 3 HD13 LEU 3 1.232 5.765 -3.530 25 HD21 LEU 3 HD21 LEU 3 3.442 8.708 -4.329 26 HD22 LEU 3 HD22 LEU 3 2.607 7.886 -2.993 27 HD23 LEU 3 HD23 LEU 3 1.679 8.762 -4.228 28 H ALA 4 H ALA 4 3.064 4.280 -7.765 29 HA ALA 4 HA ALA 4 5.459 4.781 -9.366 30 HB1 ALA 4 HB1 ALA 4 2.601 4.138 -10.187 31 HB2 ALA 4 HB2 ALA 4 4.023 4.146 -11.254 32 HB3 ALA 4 HB3 ALA 4 3.921 2.966 -9.934 33 H VAL 5 H VAL 5 6.152 6.798 -9.805 34 HA VAL 5 HA VAL 5 4.155 8.772 -10.764 35 HB VAL 5 HB VAL 5 6.860 9.460 -9.738 36 HG11 VAL 5 HG11 VAL 5 4.515 11.290 -10.287 37 HG12 VAL 5 HG12 VAL 5 6.069 11.762 -9.586 38 HG13 VAL 5 HG13 VAL 5 6.014 11.189 -11.244 39 HG21 VAL 5 HG21 VAL 5 4.230 9.849 -8.308 40 HG22 VAL 5 HG22 VAL 5 5.430 8.613 -7.874 41 HG23 VAL 5 HG23 VAL 5 5.817 10.334 -7.714 42 H ARG 6 H ARG 6 4.534 9.846 -12.528 43 HA ARG 6 HA ARG 6 6.731 9.029 -14.405 44 HB2 ARG 6 HB2 ARG 6 3.782 9.187 -15.179 45 HB3 ARG 6 HB3 ARG 6 5.117 8.909 -16.306 46 HG2 ARG 6 HG2 ARG 6 4.367 7.050 -14.017 47 HG3 ARG 6 HG3 ARG 6 3.854 6.847 -15.701 48 HD2 ARG 6 HD2 ARG 6 6.129 6.527 -16.444 49 HD3 ARG 6 HD3 ARG 6 6.771 6.933 -14.847 50 HE ARG 6 HE ARG 6 5.667 4.381 -15.721 51 HH11 ARG 6 HH11 ARG 6 6.519 6.226 -12.780 52 HH12 ARG 6 HH12 ARG 6 6.867 4.708 -11.986 53 HH21 ARG 6 HH21 ARG 6 6.218 2.554 -14.352 54 HH22 ARG 6 HH22 ARG 6 6.716 2.975 -12.713 55 H VAL 7 H VAL 7 7.239 10.463 -15.991 56 HA VAL 7 HA VAL 7 5.826 13.027 -16.156 57 HB VAL 7 HB VAL 7 8.839 13.090 -16.310 58 HG11 VAL 7 HG11 VAL 7 8.431 15.538 -16.191 59 HG12 VAL 7 HG12 VAL 7 7.576 14.827 -17.561 60 HG13 VAL 7 HG13 VAL 7 6.676 15.241 -16.118 61 HG21 VAL 7 HG21 VAL 7 8.842 14.337 -14.191 62 HG22 VAL 7 HG22 VAL 7 7.165 13.793 -13.912 63 HG23 VAL 7 HG23 VAL 7 8.484 12.611 -14.023 64 H VAL 8 H VAL 8 5.036 12.876 -18.121 65 HA VAL 8 HA VAL 8 6.782 11.848 -20.316 66 HB VAL 8 HB VAL 8 4.509 11.014 -20.276 67 HG11 VAL 8 HG11 VAL 8 3.612 13.795 -20.953 68 HG12 VAL 8 HG12 VAL 8 2.616 12.325 -20.982 69 HG13 VAL 8 HG13 VAL 8 3.275 12.896 -19.443 70 HG21 VAL 8 HG21 VAL 8 5.832 11.178 -22.396 71 HG22 VAL 8 HG22 VAL 8 4.084 11.268 -22.658 72 HG23 VAL 8 HG23 VAL 8 5.059 12.749 -22.710 73 H TYR 9 H TYR 9 7.725 13.111 -21.769 74 HA TYR 9 HA TYR 9 6.789 15.730 -22.336 75 HB2 TYR 9 HB2 TYR 9 8.070 16.260 -20.251 76 HB3 TYR 9 HB3 TYR 9 9.530 15.613 -21.001 77 HD1 TYR 9 HD2 TYR 9 6.796 17.903 -22.265 78 HD2 TYR 9 HD1 TYR 9 11.004 17.396 -21.445 79 HE1 TYR 9 HE2 TYR 9 7.252 20.161 -23.192 80 HE2 TYR 9 HE1 TYR 9 11.453 19.645 -22.376 81 HH TYR 9 HH TYR 9 10.520 21.420 -23.578 82 H SER 10 H SER 10 9.059 16.753 -23.713 83 HA SER 10 HA SER 10 9.780 14.661 -25.669 84 HB2 SER 10 HB2 SER 10 9.994 16.454 -27.259 85 HB3 SER 10 HB3 SER 10 8.361 16.504 -26.569 86 HG SER 10 HG SER 10 8.977 18.247 -25.335 87 H GLY 11 H GLY 11 11.837 14.906 -26.580 88 HA2 GLY 11 HA2 GLY 11 13.947 15.361 -24.650 89 HA3 GLY 11 HA3 GLY 11 14.166 14.828 -26.322 90 H ALA 12 H ALA 12 12.422 17.700 -26.296 91 HA ALA 12 HA ALA 12 13.797 18.771 -28.283 92 HB1 ALA 12 HB1 ALA 12 12.334 20.362 -26.137 93 HB2 ALA 12 HB2 ALA 12 12.693 20.928 -27.782 94 HB3 ALA 12 HB3 ALA 12 11.606 19.549 -27.542 95 H CYS 13 H CYS 13 14.559 19.862 -24.957 96 HA CYS 13 HA CYS 13 17.330 19.859 -25.692 97 HB2 CYS 13 HB2 CYS 13 16.551 22.219 -26.359 98 HB3 CYS 13 HB3 CYS 13 16.308 22.526 -24.624 99 HG CYS 13 HG CYS 13 18.993 21.876 -26.420 100 H GLY 14 H GLY 14 18.689 19.868 -23.834 101 HA2 GLY 14 HA2 GLY 14 19.372 19.374 -21.696 102 HA3 GLY 14 HA3 GLY 14 18.187 20.610 -21.274 103 H TYR 15 H TYR 15 16.421 17.997 -22.399 104 HA TYR 15 HA TYR 15 15.054 17.858 -20.130 105 HB2 TYR 15 HB2 TYR 15 13.737 16.158 -20.996 106 HB3 TYR 15 HB3 TYR 15 14.363 17.015 -22.394 107 HD1 TYR 15 HD2 TYR 15 16.446 15.948 -23.611 108 HD2 TYR 15 HD1 TYR 15 13.847 13.816 -20.895 109 HE1 TYR 15 HE2 TYR 15 17.152 13.798 -24.617 110 HE2 TYR 15 HE1 TYR 15 14.547 11.661 -21.914 111 HH TYR 15 HH TYR 15 16.484 11.504 -24.817 112 H LYS 16 H LYS 16 17.408 15.213 -20.770 113 HA LYS 16 HA LYS 16 16.871 13.702 -18.507 114 HB2 LYS 16 HB2 LYS 16 19.497 14.109 -19.984 115 HB3 LYS 16 HB3 LYS 16 19.301 12.886 -18.711 116 HG2 LYS 16 HG2 LYS 16 17.752 11.620 -19.980 117 HG3 LYS 16 HG3 LYS 16 17.359 12.993 -21.021 118 HD2 LYS 16 HD2 LYS 16 18.623 11.511 -22.365 119 HD3 LYS 16 HD3 LYS 16 19.610 12.920 -22.028 120 HE2 LYS 16 HE2 LYS 16 21.107 11.181 -21.798 121 HE3 LYS 16 HE3 LYS 16 20.679 11.533 -20.117 122 HZ1 LYS 16 HZ1 LYS 16 20.643 9.130 -20.616 123 HZ2 LYS 16 HZ2 LYS 16 19.498 9.356 -21.768 124 HZ3 LYS 16 HZ3 LYS 16 19.140 9.645 -20.193 125 HA PRO 17 HA PRO 17 19.720 15.843 -15.412 126 HB2 PRO 17 HB2 PRO 17 20.826 18.307 -15.914 127 HB3 PRO 17 HB3 PRO 17 21.638 16.758 -16.303 128 HG2 PRO 17 HG2 PRO 17 20.020 18.532 -18.159 129 HG3 PRO 17 HG3 PRO 17 21.636 17.810 -18.448 130 HD2 PRO 17 HD2 PRO 17 19.397 16.636 -19.422 131 HD3 PRO 17 HD3 PRO 17 20.729 15.652 -18.747 132 H LYS 18 H LYS 18 17.663 18.024 -17.459 133 HA LYS 18 HA LYS 18 16.769 19.626 -15.243 134 HB2 LYS 18 HB2 LYS 18 16.474 19.873 -17.869 135 HB3 LYS 18 HB3 LYS 18 14.958 19.006 -17.603 136 HG2 LYS 18 HG2 LYS 18 15.824 21.603 -16.230 137 HG3 LYS 18 HG3 LYS 18 14.836 21.518 -17.685 138 HD2 LYS 18 HD2 LYS 18 13.042 20.337 -16.407 139 HD3 LYS 18 HD3 LYS 18 14.039 20.445 -14.953 140 HE2 LYS 18 HE2 LYS 18 12.452 22.198 -14.807 141 HE3 LYS 18 HE3 LYS 18 14.042 22.911 -15.086 142 HZ1 LYS 18 HZ1 LYS 18 12.330 23.946 -16.464 143 HZ2 LYS 18 HZ2 LYS 18 11.959 22.512 -17.168 144 HZ3 LYS 18 HZ3 LYS 18 13.432 23.199 -17.424 145 H TYR 19 H TYR 19 15.505 16.596 -16.623 146 HA TYR 19 HA TYR 19 13.327 16.093 -14.854 147 HB2 TYR 19 HB2 TYR 19 15.113 14.504 -16.682 148 HB3 TYR 19 HB3 TYR 19 14.309 13.623 -15.397 149 HD1 TYR 19 HD1 TYR 19 13.129 16.427 -17.674 150 HD2 TYR 19 HD2 TYR 19 12.600 12.392 -16.215 151 HE1 TYR 19 HE1 TYR 19 11.019 16.208 -18.999 152 HE2 TYR 19 HE2 TYR 19 10.523 12.195 -17.605 153 HH TYR 19 HH TYR 19 9.187 14.825 -19.477 154 H LEU 20 H LEU 20 16.742 14.920 -14.674 155 HA LEU 20 HA LEU 20 16.582 13.551 -12.238 156 HB2 LEU 20 HB2 LEU 20 18.814 15.097 -13.441 157 HB3 LEU 20 HB3 LEU 20 19.054 14.143 -12.032 158 HG LEU 20 HG LEU 20 18.048 12.901 -14.622 159 HD11 LEU 20 HD11 LEU 20 20.342 13.766 -14.928 160 HD12 LEU 20 HD12 LEU 20 20.331 11.999 -14.865 161 HD13 LEU 20 HD13 LEU 20 20.859 12.933 -13.447 162 HD21 LEU 20 HD21 LEU 20 19.146 11.683 -12.056 163 HD22 LEU 20 HD22 LEU 20 18.729 10.788 -13.533 164 HD23 LEU 20 HD23 LEU 20 17.463 11.605 -12.613 165 H GLN 21 H GLN 21 17.244 17.031 -12.698 166 HA GLN 21 HA GLN 21 17.961 17.527 -9.995 167 HB2 GLN 21 HB2 GLN 21 18.116 18.949 -12.256 168 HB3 GLN 21 HB3 GLN 21 16.590 19.647 -11.709 169 HG2 GLN 21 HG2 GLN 21 19.223 19.566 -10.168 170 HG3 GLN 21 HG3 GLN 21 18.669 20.940 -11.134 171 HE21 GLN 21 HE21 GLN 21 16.162 21.615 -10.405 172 HE22 GLN 21 HE22 GLN 21 16.121 21.748 -8.639 173 H LEU 22 H LEU 22 14.788 17.586 -11.573 174 HA LEU 22 HA LEU 22 13.286 18.311 -9.177 175 HB2 LEU 22 HB2 LEU 22 12.621 18.729 -11.554 176 HB3 LEU 22 HB3 LEU 22 12.335 17.000 -11.770 177 HG LEU 22 HG LEU 22 10.922 18.593 -9.584 178 HD11 LEU 22 HD11 LEU 22 10.031 18.246 -12.475 179 HD12 LEU 22 HD12 LEU 22 10.548 19.768 -11.711 180 HD13 LEU 22 HD13 LEU 22 9.069 18.969 -11.165 181 HD21 LEU 22 HD21 LEU 22 10.620 16.144 -9.450 182 HD22 LEU 22 HD22 LEU 22 10.138 16.087 -11.153 183 HD23 LEU 22 HD23 LEU 22 9.117 16.908 -9.954 184 H LYS 23 H LYS 23 14.081 15.208 -10.864 185 HA LYS 23 HA LYS 23 12.515 13.395 -9.310 186 HB2 LYS 23 HB2 LYS 23 14.907 13.353 -11.150 187 HB3 LYS 23 HB3 LYS 23 14.668 12.035 -10.068 188 HG2 LYS 23 HG2 LYS 23 12.254 12.727 -11.595 189 HG3 LYS 23 HG3 LYS 23 13.634 12.292 -12.630 190 HD2 LYS 23 HD2 LYS 23 12.608 10.663 -10.302 191 HD3 LYS 23 HD3 LYS 23 12.266 10.299 -12.003 192 HE2 LYS 23 HE2 LYS 23 14.536 9.730 -12.457 193 HE3 LYS 23 HE3 LYS 23 15.126 10.455 -10.960 194 HZ1 LYS 23 HZ1 LYS 23 14.983 8.030 -10.706 195 HZ2 LYS 23 HZ2 LYS 23 13.324 8.123 -10.884 196 HZ3 LYS 23 HZ3 LYS 23 14.120 8.852 -9.641 197 H GLU 24 H GLU 24 15.993 14.042 -9.214 198 HA GLU 24 HA GLU 24 16.821 12.665 -6.958 199 HB2 GLU 24 HB2 GLU 24 18.272 13.949 -8.503 200 HB3 GLU 24 HB3 GLU 24 17.606 15.453 -7.885 201 HG2 GLU 24 HG2 GLU 24 18.742 13.827 -5.705 202 HG3 GLU 24 HG3 GLU 24 19.916 14.115 -6.999 203 H LYS 25 H LYS 25 15.371 15.921 -6.897 204 HA LYS 25 HA LYS 25 15.549 16.269 -4.048 205 HB2 LYS 25 HB2 LYS 25 14.582 17.805 -6.308 206 HB3 LYS 25 HB3 LYS 25 13.239 17.665 -5.196 207 HG2 LYS 25 HG2 LYS 25 14.502 19.669 -4.674 208 HG3 LYS 25 HG3 LYS 25 14.589 18.498 -3.342 209 HD2 LYS 25 HD2 LYS 25 16.758 19.679 -3.803 210 HD3 LYS 25 HD3 LYS 25 16.892 17.918 -3.957 211 HE2 LYS 25 HE2 LYS 25 16.517 18.163 -6.439 212 HE3 LYS 25 HE3 LYS 25 16.569 19.924 -6.240 213 HZ1 LYS 25 HZ1 LYS 25 18.723 17.957 -5.688 214 HZ2 LYS 25 HZ2 LYS 25 18.873 19.587 -5.396 215 HZ3 LYS 25 HZ3 LYS 25 18.669 19.007 -6.919 216 H LEU 26 H LEU 26 12.915 15.119 -6.038 217 HA LEU 26 HA LEU 26 10.947 14.664 -4.023 218 HB2 LEU 26 HB2 LEU 26 11.454 14.078 -6.918 219 HB3 LEU 26 HB3 LEU 26 10.547 12.850 -6.054 220 HG LEU 26 HG LEU 26 8.966 14.498 -5.291 221 HD11 LEU 26 HD11 LEU 26 8.866 16.748 -6.371 222 HD12 LEU 26 HD12 LEU 26 10.444 16.422 -7.122 223 HD13 LEU 26 HD13 LEU 26 10.310 16.546 -5.361 224 HD21 LEU 26 HD21 LEU 26 7.832 14.883 -7.484 225 HD22 LEU 26 HD22 LEU 26 8.437 13.233 -7.296 226 HD23 LEU 26 HD23 LEU 26 9.329 14.390 -8.311 227 H GLU 27 H GLU 27 13.102 12.356 -5.619 228 HA GLU 27 HA GLU 27 12.691 10.166 -3.843 229 HB2 GLU 27 HB2 GLU 27 14.723 11.064 -5.899 230 HB3 GLU 27 HB3 GLU 27 15.250 9.819 -4.791 231 HG2 GLU 27 HG2 GLU 27 13.849 8.229 -5.583 232 HG3 GLU 27 HG3 GLU 27 12.577 9.330 -6.066 233 H HIS 28 H HIS 28 15.020 12.885 -3.435 234 HA HIS 28 HA HIS 28 16.129 11.857 -0.990 235 HB2 HIS 28 HB2 HIS 28 17.178 13.662 -2.160 236 HB3 HIS 28 HB3 HIS 28 15.738 14.653 -2.095 237 HD1 HIS 28 HD1 HIS 28 16.356 13.278 1.302 238 HD2 HIS 28 HD2 HIS 28 17.313 16.577 -1.087 239 HE1 HIS 28 HE1 HIS 28 17.282 15.070 2.889 240 H GLU 29 H GLU 29 13.269 13.749 -1.696 241 HA GLU 29 HA GLU 29 12.555 14.502 0.958 242 HB2 GLU 29 HB2 GLU 29 11.737 15.254 -1.462 243 HB3 GLU 29 HB3 GLU 29 10.500 14.057 -1.223 244 HG2 GLU 29 HG2 GLU 29 9.597 16.133 -0.647 245 HG3 GLU 29 HG3 GLU 29 9.645 15.048 0.685 246 H PHE 30 H PHE 30 11.525 11.884 -1.051 247 HA PHE 30 HA PHE 30 10.634 10.217 1.280 248 HB2 PHE 30 HB2 PHE 30 8.537 9.632 -0.273 249 HB3 PHE 30 HB3 PHE 30 8.553 10.855 0.967 250 HD1 PHE 30 HD2 PHE 30 9.313 10.561 -2.710 251 HD2 PHE 30 HD1 PHE 30 7.868 13.017 0.496 252 HE1 PHE 30 HE2 PHE 30 8.677 12.305 -4.349 253 HE2 PHE 30 HE1 PHE 30 7.309 14.813 -1.135 254 HZ PHE 30 HZ PHE 30 7.685 14.462 -3.541 255 HA PRO 31 HA PRO 31 13.179 7.967 -1.853 256 HB2 PRO 31 HB2 PRO 31 14.849 6.619 -0.078 257 HB3 PRO 31 HB3 PRO 31 15.153 8.263 -0.701 258 HG2 PRO 31 HG2 PRO 31 13.859 7.458 1.914 259 HG3 PRO 31 HG3 PRO 31 15.122 8.703 1.633 260 HD2 PRO 31 HD2 PRO 31 12.528 9.391 1.903 261 HD3 PRO 31 HD3 PRO 31 13.554 10.197 0.677 262 H GLY 32 H GLY 32 12.921 6.021 -2.653 263 HA2 GLY 32 HA2 GLY 32 12.525 3.818 -3.026 264 HA3 GLY 32 HA3 GLY 32 12.760 3.567 -1.291 265 H CYS 33 H CYS 33 10.389 5.193 -0.633 266 HA CYS 33 HA CYS 33 8.259 3.280 -0.925 267 HB2 CYS 33 HB2 CYS 33 8.018 6.177 -0.117 268 HB3 CYS 33 HB3 CYS 33 6.938 4.829 0.283 269 HG CYS 33 HG CYS 33 10.077 5.317 1.270 270 H LEU 34 H LEU 34 9.585 5.667 -2.972 271 HA LEU 34 HA LEU 34 7.183 5.810 -4.737 272 HB2 LEU 34 HB2 LEU 34 9.411 7.722 -4.023 273 HB3 LEU 34 HB3 LEU 34 8.750 7.713 -5.654 274 HG LEU 34 HG LEU 34 7.927 9.428 -3.920 275 HD11 LEU 34 HD11 LEU 34 5.714 9.494 -5.020 276 HD12 LEU 34 HD12 LEU 34 6.100 7.916 -5.756 277 HD13 LEU 34 HD13 LEU 34 7.104 9.320 -6.107 278 HD21 LEU 34 HD21 LEU 34 5.938 8.877 -2.667 279 HD22 LEU 34 HD22 LEU 34 7.314 7.897 -2.121 280 HD23 LEU 34 HD23 LEU 34 6.061 7.168 -3.155 281 H ASP 35 H ASP 35 7.464 5.402 -6.728 282 HA ASP 35 HA ASP 35 10.065 4.820 -8.040 283 HB2 ASP 35 HB2 ASP 35 8.511 2.958 -8.366 284 HB3 ASP 35 HB3 ASP 35 7.225 4.095 -8.653 285 H ILE 36 H ILE 36 10.467 6.234 -9.589 286 HA ILE 36 HA ILE 36 8.552 8.200 -10.556 287 HB ILE 36 HB ILE 36 11.187 9.184 -9.650 288 HG12 ILE 36 HG12 ILE 36 8.672 9.641 -8.034 289 HG13 ILE 36 HG13 ILE 36 10.058 8.632 -7.576 290 HG21 ILE 36 HG21 ILE 36 8.633 10.732 -10.357 291 HG22 ILE 36 HG22 ILE 36 10.248 11.424 -10.174 292 HG23 ILE 36 HG23 ILE 36 9.894 10.372 -11.538 293 HD11 ILE 36 HD11 ILE 36 10.038 11.633 -7.915 294 HD12 ILE 36 HD12 ILE 36 10.416 10.668 -6.467 295 HD13 ILE 36 HD13 ILE 36 11.540 10.709 -7.850 296 H CYS 37 H CYS 37 8.734 7.851 -12.414 297 HA CYS 37 HA CYS 37 11.236 7.374 -14.025 298 HB2 CYS 37 HB2 CYS 37 8.560 5.970 -14.145 299 HB3 CYS 37 HB3 CYS 37 9.618 6.030 -15.566 300 HG CYS 37 HG CYS 37 10.150 4.734 -12.540 301 H GLY 38 H GLY 38 10.725 7.730 -16.452 302 HA2 GLY 38 HA2 GLY 38 8.878 9.975 -16.922 303 HA3 GLY 38 HA3 GLY 38 10.538 10.066 -17.538 304 H GLU 39 H GLU 39 8.751 10.249 -19.514 305 HA GLU 39 HA GLU 39 9.151 7.890 -21.032 306 HB2 GLU 39 HB2 GLU 39 6.737 7.966 -19.715 307 HB3 GLU 39 HB3 GLU 39 6.352 8.964 -21.129 308 HG2 GLU 39 HG2 GLU 39 7.376 7.041 -22.537 309 HG3 GLU 39 HG3 GLU 39 7.384 6.093 -21.048 310 H GLY 40 H GLY 40 8.192 8.460 -23.121 311 HA2 GLY 40 HA2 GLY 40 8.119 11.167 -24.185 312 HA3 GLY 40 HA3 GLY 40 9.705 10.446 -24.419 313 H THR 41 H THR 41 6.437 8.863 -24.749 314 HA THR 41 HA THR 41 7.369 7.383 -26.990 315 HB THR 41 HB THR 41 4.766 6.888 -27.167 316 HG1 THR 41 HG1 THR 41 4.674 7.305 -24.449 317 HG21 THR 41 HG21 THR 41 6.417 5.245 -26.496 318 HG22 THR 41 HG22 THR 41 5.040 5.197 -25.377 319 HG23 THR 41 HG23 THR 41 6.553 5.979 -24.884 320 HA PRO 42 HA PRO 42 6.637 10.034 -30.341 321 HB2 PRO 42 HB2 PRO 42 6.651 8.372 -32.487 322 HB3 PRO 42 HB3 PRO 42 8.047 8.514 -31.380 323 HG2 PRO 42 HG2 PRO 42 5.836 6.425 -31.281 324 HG3 PRO 42 HG3 PRO 42 7.610 6.150 -31.329 325 HD2 PRO 42 HD2 PRO 42 6.240 6.199 -28.979 326 HD3 PRO 42 HD3 PRO 42 7.884 6.898 -29.111 327 H GLN 43 H GLN 43 4.420 10.310 -29.177 328 HA GLN 43 HA GLN 43 2.291 10.203 -31.279 329 HB2 GLN 43 HB2 GLN 43 1.942 9.436 -28.353 330 HB3 GLN 43 HB3 GLN 43 0.607 9.748 -29.465 331 HG2 GLN 43 HG2 GLN 43 2.673 7.546 -29.894 332 HG3 GLN 43 HG3 GLN 43 1.124 7.334 -29.099 333 HE21 GLN 43 HE21 GLN 43 2.642 7.932 -32.285 334 HE22 GLN 43 HE22 GLN 43 1.122 7.550 -33.136 335 H VAL 44 H VAL 44 2.065 11.487 -27.962 336 HA VAL 44 HA VAL 44 1.440 14.173 -29.159 337 HB VAL 44 HB VAL 44 0.266 13.021 -26.610 338 HG11 VAL 44 HG11 VAL 44 -1.614 14.607 -27.137 339 HG12 VAL 44 HG12 VAL 44 -0.116 15.440 -26.787 340 HG13 VAL 44 HG13 VAL 44 -0.645 15.263 -28.473 341 HG21 VAL 44 HG21 VAL 44 -1.782 12.522 -27.995 342 HG22 VAL 44 HG22 VAL 44 -0.817 12.829 -29.455 343 HG23 VAL 44 HG23 VAL 44 -0.422 11.483 -28.359 344 H THR 45 H THR 45 3.928 12.952 -27.763 345 HA THR 45 HA THR 45 4.165 13.636 -25.172 346 HB THR 45 HB THR 45 5.416 12.072 -26.737 347 HG1 THR 45 HG1 THR 45 7.010 13.086 -24.683 348 HG21 THR 45 HG21 THR 45 7.560 14.211 -26.609 349 HG22 THR 45 HG22 THR 45 6.664 13.745 -28.078 350 HG23 THR 45 HG23 THR 45 7.705 12.567 -27.256 351 H GLY 46 H GLY 46 4.116 16.276 -27.148 352 HA2 GLY 46 HA2 GLY 46 6.252 17.917 -25.980 353 HA3 GLY 46 HA3 GLY 46 4.834 18.496 -26.870 354 H PHE 47 H PHE 47 3.152 16.841 -24.879 355 HA PHE 47 HA PHE 47 2.564 18.811 -22.813 356 HB2 PHE 47 HB2 PHE 47 1.883 15.863 -23.155 357 HB3 PHE 47 HB3 PHE 47 1.229 16.915 -21.905 358 HD1 PHE 47 HD1 PHE 47 1.193 19.111 -24.638 359 HD2 PHE 47 HD2 PHE 47 -0.648 15.447 -23.284 360 HE1 PHE 47 HE1 PHE 47 -0.781 19.588 -26.028 361 HE2 PHE 47 HE2 PHE 47 -2.626 15.926 -24.699 362 HZ PHE 47 HZ PHE 47 -2.696 18.006 -26.082 363 H PHE 48 H PHE 48 4.274 19.284 -21.456 364 HA PHE 48 HA PHE 48 5.776 17.279 -19.965 365 HB2 PHE 48 HB2 PHE 48 6.384 19.804 -20.269 366 HB3 PHE 48 HB3 PHE 48 5.216 20.102 -19.003 367 HD1 PHE 48 HD2 PHE 48 5.539 18.939 -16.699 368 HD2 PHE 48 HD1 PHE 48 8.600 19.083 -19.721 369 HE1 PHE 48 HE2 PHE 48 7.261 18.412 -14.987 370 HE2 PHE 48 HE1 PHE 48 10.306 18.512 -18.027 371 HZ PHE 48 HZ PHE 48 9.650 18.160 -15.655 372 H GLU 49 H GLU 49 4.292 15.719 -19.157 373 HA GLU 49 HA GLU 49 2.146 16.809 -17.325 374 HB2 GLU 49 HB2 GLU 49 2.261 14.878 -19.562 375 HB3 GLU 49 HB3 GLU 49 1.419 14.241 -18.158 376 HG2 GLU 49 HG2 GLU 49 0.831 16.913 -19.474 377 HG3 GLU 49 HG3 GLU 49 0.093 15.412 -20.019 378 H VAL 50 H VAL 50 2.346 16.238 -15.138 379 HA VAL 50 HA VAL 50 4.120 13.889 -14.532 380 HB VAL 50 HB VAL 50 3.467 16.115 -12.638 381 HG11 VAL 50 HG11 VAL 50 4.020 14.115 -11.452 382 HG12 VAL 50 HG12 VAL 50 5.434 13.832 -12.474 383 HG13 VAL 50 HG13 VAL 50 5.405 15.207 -11.354 384 HG21 VAL 50 HG21 VAL 50 5.693 17.035 -12.969 385 HG22 VAL 50 HG22 VAL 50 6.131 15.717 -14.055 386 HG23 VAL 50 HG23 VAL 50 4.958 16.924 -14.580 387 H THR 51 H THR 51 3.170 12.178 -13.745 388 HA THR 51 HA THR 51 0.431 12.416 -12.584 389 HB THR 51 HB THR 51 1.155 9.890 -13.959 390 HG1 THR 51 HG1 THR 51 0.513 12.154 -15.549 391 HG21 THR 51 HG21 THR 51 -1.276 11.656 -14.179 392 HG22 THR 51 HG22 THR 51 -1.024 10.226 -13.133 393 HG23 THR 51 HG23 THR 51 -1.065 10.039 -14.890 394 H VAL 52 H VAL 52 0.031 11.167 -10.734 395 HA VAL 52 HA VAL 52 2.048 9.139 -9.877 396 HB VAL 52 HB VAL 52 2.343 11.108 -8.509 397 HG11 VAL 52 HG11 VAL 52 -0.511 10.734 -7.466 398 HG12 VAL 52 HG12 VAL 52 0.646 11.998 -7.026 399 HG13 VAL 52 HG13 VAL 52 -0.069 11.962 -8.650 400 HG21 VAL 52 HG21 VAL 52 2.534 8.766 -7.504 401 HG22 VAL 52 HG22 VAL 52 2.219 10.052 -6.332 402 HG23 VAL 52 HG23 VAL 52 0.914 8.973 -6.842 403 H ALA 53 H ALA 53 1.235 7.233 -9.359 404 HA ALA 53 HA ALA 53 -0.302 5.487 -9.561 405 HB1 ALA 53 HB1 ALA 53 -1.897 5.470 -7.710 406 HB2 ALA 53 HB2 ALA 53 -0.343 6.149 -7.194 407 HB3 ALA 53 HB3 ALA 53 -1.722 7.226 -7.514 408 H GLY 54 H GLY 54 -0.796 7.445 -11.649 409 HA2 GLY 54 HA2 GLY 54 -2.337 7.392 -13.468 410 HA3 GLY 54 HA3 GLY 54 -3.565 6.704 -12.406 411 H LYS 55 H LYS 55 -2.034 9.570 -11.152 412 HA LYS 55 HA LYS 55 -4.357 11.273 -11.982 413 HB2 LYS 55 HB2 LYS 55 -3.058 11.237 -9.311 414 HB3 LYS 55 HB3 LYS 55 -4.455 12.204 -9.807 415 HG2 LYS 55 HG2 LYS 55 -5.373 9.696 -10.351 416 HG3 LYS 55 HG3 LYS 55 -4.262 9.305 -9.030 417 HD2 LYS 55 HD2 LYS 55 -6.599 11.263 -8.971 418 HD3 LYS 55 HD3 LYS 55 -6.523 9.686 -8.169 419 HE2 LYS 55 HE2 LYS 55 -4.699 10.473 -6.708 420 HE3 LYS 55 HE3 LYS 55 -4.652 12.021 -7.562 421 HZ1 LYS 55 HZ1 LYS 55 -6.934 11.010 -5.966 422 HZ2 LYS 55 HZ2 LYS 55 -6.953 12.406 -6.835 423 HZ3 LYS 55 HZ3 LYS 55 -5.943 12.249 -5.550 424 H LEU 56 H LEU 56 -3.798 13.096 -12.982 425 HA LEU 56 HA LEU 56 -1.202 14.207 -13.235 426 HB2 LEU 56 HB2 LEU 56 -2.824 14.561 -14.815 427 HB3 LEU 56 HB3 LEU 56 -4.020 15.213 -13.679 428 HG LEU 56 HG LEU 56 -1.495 16.644 -14.646 429 HD11 LEU 56 HD11 LEU 56 -3.152 16.214 -16.426 430 HD12 LEU 56 HD12 LEU 56 -3.131 17.923 -16.031 431 HD13 LEU 56 HD13 LEU 56 -4.452 16.898 -15.422 432 HD21 LEU 56 HD21 LEU 56 -2.780 18.707 -13.869 433 HD22 LEU 56 HD22 LEU 56 -2.191 17.702 -12.555 434 HD23 LEU 56 HD23 LEU 56 -3.897 17.612 -13.026 435 H VAL 57 H VAL 57 -0.067 15.397 -12.062 436 HA VAL 57 HA VAL 57 -1.237 17.016 -9.776 437 HB VAL 57 HB VAL 57 1.630 16.155 -9.654 438 HG11 VAL 57 HG11 VAL 57 1.108 16.148 -7.197 439 HG12 VAL 57 HG12 VAL 57 0.726 17.708 -7.936 440 HG13 VAL 57 HG13 VAL 57 -0.574 16.555 -7.565 441 HG21 VAL 57 HG21 VAL 57 0.605 13.997 -10.063 442 HG22 VAL 57 HG22 VAL 57 1.056 14.132 -8.369 443 HG23 VAL 57 HG23 VAL 57 -0.651 14.322 -8.846 444 H HIS 58 H HIS 58 0.740 16.979 -12.560 445 HA HIS 58 HA HIS 58 1.281 19.883 -12.450 446 HB2 HIS 58 HB2 HIS 58 3.184 18.100 -11.681 447 HB3 HIS 58 HB3 HIS 58 3.370 18.048 -13.438 448 HD1 HIS 58 HD1 HIS 58 3.982 20.353 -10.507 449 HD2 HIS 58 HD2 HIS 58 4.749 19.761 -14.593 450 HE1 HIS 58 HE1 HIS 58 6.011 21.786 -11.068 451 H SER 59 H SER 59 1.274 20.768 -14.445 452 HA SER 59 HA SER 59 1.022 19.117 -16.890 453 HB2 SER 59 HB2 SER 59 -1.179 18.991 -15.594 454 HB3 SER 59 HB3 SER 59 -1.295 20.714 -15.778 455 HG SER 59 HG SER 59 -1.286 18.640 -17.672 456 H LYS 60 H LYS 60 2.505 20.500 -18.061 457 HA LYS 60 HA LYS 60 1.677 23.318 -18.402 458 HB2 LYS 60 HB2 LYS 60 3.559 21.409 -19.844 459 HB3 LYS 60 HB3 LYS 60 3.139 22.957 -20.563 460 HG2 LYS 60 HG2 LYS 60 4.202 22.769 -17.723 461 HG3 LYS 60 HG3 LYS 60 5.272 22.843 -19.129 462 HD2 LYS 60 HD2 LYS 60 4.394 25.013 -19.784 463 HD3 LYS 60 HD3 LYS 60 3.207 24.994 -18.435 464 HE2 LYS 60 HE2 LYS 60 5.148 24.600 -16.894 465 HE3 LYS 60 HE3 LYS 60 6.224 24.821 -18.224 466 HZ1 LYS 60 HZ1 LYS 60 4.383 26.974 -17.238 467 HZ2 LYS 60 HZ2 LYS 60 5.622 27.165 -18.296 468 HZ3 LYS 60 HZ3 LYS 60 5.897 26.860 -16.709 469 H LYS 61 H LYS 61 0.519 20.283 -19.679 470 HA LYS 61 HA LYS 61 -0.825 21.596 -21.933 471 HB2 LYS 61 HB2 LYS 61 -1.524 19.497 -22.624 472 HB3 LYS 61 HB3 LYS 61 0.110 19.334 -22.017 473 HG2 LYS 61 HG2 LYS 61 -0.965 17.407 -21.280 474 HG3 LYS 61 HG3 LYS 61 -0.790 18.451 -19.889 475 HD2 LYS 61 HD2 LYS 61 -2.838 17.240 -19.775 476 HD3 LYS 61 HD3 LYS 61 -3.239 18.920 -19.937 477 HE2 LYS 61 HE2 LYS 61 -3.305 16.812 -22.150 478 HE3 LYS 61 HE3 LYS 61 -4.696 17.388 -21.225 479 HZ1 LYS 61 HZ1 LYS 61 -3.127 18.887 -23.214 480 HZ2 LYS 61 HZ2 LYS 61 -4.071 19.679 -22.144 481 HZ3 LYS 61 HZ3 LYS 61 -4.748 18.613 -23.210 482 H ARG 62 H ARG 62 -1.903 21.135 -18.654 483 HA ARG 62 HA ARG 62 -4.594 22.102 -19.435 484 HB2 ARG 62 HB2 ARG 62 -5.319 21.286 -17.475 485 HB3 ARG 62 HB3 ARG 62 -3.929 20.242 -17.681 486 HG2 ARG 62 HG2 ARG 62 -3.668 20.729 -15.492 487 HG3 ARG 62 HG3 ARG 62 -2.720 22.057 -16.200 488 HD2 ARG 62 HD2 ARG 62 -4.579 23.565 -15.908 489 HD3 ARG 62 HD3 ARG 62 -5.582 22.276 -15.204 490 HE ARG 62 HE ARG 62 -3.205 22.431 -13.700 491 HH11 ARG 62 HH11 ARG 62 -5.476 24.898 -14.522 492 HH12 ARG 62 HH12 ARG 62 -5.339 25.721 -12.997 493 HH21 ARG 62 HH21 ARG 62 -3.057 23.415 -11.760 494 HH22 ARG 62 HH22 ARG 62 -3.897 24.917 -11.468 495 H GLY 63 H GLY 63 -1.650 23.391 -18.297 496 HA2 GLY 63 HA2 GLY 63 -1.145 25.680 -17.830 497 HA3 GLY 63 HA3 GLY 63 -2.874 26.066 -17.719 498 H ASP 64 H ASP 64 -0.865 23.550 -16.159 499 HA ASP 64 HA ASP 64 -1.529 24.597 -13.443 500 HB2 ASP 64 HB2 ASP 64 -1.392 22.074 -14.034 501 HB3 ASP 64 HB3 ASP 64 0.363 22.328 -14.090 502 H GLY 65 H GLY 65 1.227 24.308 -15.674 503 HA2 GLY 65 HA2 GLY 65 2.956 26.038 -15.673 504 HA3 GLY 65 HA3 GLY 65 2.883 26.031 -13.906 505 H TYR 66 H TYR 66 5.232 25.696 -14.563 506 HA TYR 66 HA TYR 66 6.154 22.870 -14.647 507 HB2 TYR 66 HB2 TYR 66 7.584 25.557 -14.858 508 HB3 TYR 66 HB3 TYR 66 8.434 24.093 -14.521 509 HD1 TYR 66 HD1 TYR 66 7.164 22.101 -16.407 510 HD2 TYR 66 HD2 TYR 66 8.705 26.117 -16.877 511 HE1 TYR 66 HE1 TYR 66 7.799 21.594 -18.743 512 HE2 TYR 66 HE2 TYR 66 9.335 25.574 -19.241 513 HH TYR 66 HH TYR 66 8.485 22.527 -20.802 514 H VAL 67 H VAL 67 8.316 23.392 -12.920 515 HA VAL 67 HA VAL 67 7.191 24.688 -10.502 516 HB VAL 67 HB VAL 67 9.106 24.459 -9.362 517 HG11 VAL 67 HG11 VAL 67 8.877 22.009 -8.927 518 HG12 VAL 67 HG12 VAL 67 7.298 22.700 -9.363 519 HG13 VAL 67 HG13 VAL 67 8.230 21.750 -10.540 520 HG21 VAL 67 HG21 VAL 67 10.262 22.700 -11.611 521 HG22 VAL 67 HG22 VAL 67 11.005 24.169 -10.934 522 HG23 VAL 67 HG23 VAL 67 10.896 22.723 -9.949 523 H ASP 68 H ASP 68 6.685 26.441 -11.589 524 HA ASP 68 HA ASP 68 8.589 28.163 -12.931 525 HB2 ASP 68 HB2 ASP 68 5.885 28.723 -11.821 526 HB3 ASP 68 HB3 ASP 68 6.748 29.643 -13.027 527 H THR 69 H THR 69 7.529 27.659 -9.591 528 HA THR 69 HA THR 69 9.489 29.515 -8.508 529 HB THR 69 HB THR 69 7.973 30.348 -6.979 530 HG1 THR 69 HG1 THR 69 5.609 29.985 -7.646 531 HG21 THR 69 HG21 THR 69 6.512 31.827 -8.232 532 HG22 THR 69 HG22 THR 69 6.554 30.731 -9.630 533 HG23 THR 69 HG23 THR 69 8.022 31.599 -9.133 534 H GLU 70 H GLU 70 9.856 29.089 -6.189 535 HA GLU 70 HA GLU 70 9.927 26.378 -5.313 536 HB2 GLU 70 HB2 GLU 70 10.382 29.059 -4.187 537 HB3 GLU 70 HB3 GLU 70 9.640 28.008 -2.989 538 HG2 GLU 70 HG2 GLU 70 12.030 27.053 -4.588 539 HG3 GLU 70 HG3 GLU 70 12.236 28.109 -3.189 540 H SER 71 H SER 71 7.499 28.845 -4.664 541 HA SER 71 HA SER 71 5.860 27.148 -3.010 542 HB2 SER 71 HB2 SER 71 5.667 29.744 -3.650 543 HB3 SER 71 HB3 SER 71 4.423 29.127 -4.750 544 HG SER 71 HG SER 71 3.543 28.023 -2.825 545 H LYS 72 H LYS 72 6.098 27.358 -6.445 546 HA LYS 72 HA LYS 72 3.813 25.716 -7.179 547 HB2 LYS 72 HB2 LYS 72 6.053 27.149 -8.501 548 HB3 LYS 72 HB3 LYS 72 5.645 25.678 -9.311 549 HG2 LYS 72 HG2 LYS 72 3.264 27.344 -8.553 550 HG3 LYS 72 HG3 LYS 72 4.420 28.166 -9.598 551 HD2 LYS 72 HD2 LYS 72 2.767 27.049 -10.978 552 HD3 LYS 72 HD3 LYS 72 4.369 26.347 -11.195 553 HE2 LYS 72 HE2 LYS 72 3.723 24.490 -9.608 554 HE3 LYS 72 HE3 LYS 72 2.081 25.177 -9.594 555 HZ1 LYS 72 HZ1 LYS 72 2.144 23.495 -11.343 556 HZ2 LYS 72 HZ2 LYS 72 3.583 24.113 -11.931 557 HZ3 LYS 72 HZ3 LYS 72 2.166 24.942 -12.068 558 H PHE 73 H PHE 73 7.262 25.139 -6.826 559 HA PHE 73 HA PHE 73 7.298 22.271 -7.243 560 HB2 PHE 73 HB2 PHE 73 9.346 23.609 -7.255 561 HB3 PHE 73 HB3 PHE 73 9.045 24.181 -5.652 562 HD1 PHE 73 HD1 PHE 73 9.404 20.765 -7.304 563 HD2 PHE 73 HD2 PHE 73 10.449 23.391 -4.032 564 HE1 PHE 73 HE1 PHE 73 10.960 19.066 -6.430 565 HE2 PHE 73 HE2 PHE 73 11.966 21.660 -3.138 566 HZ PHE 73 HZ PHE 73 12.212 19.495 -4.318 567 H ARG 74 H ARG 74 7.088 24.113 -4.171 568 HA ARG 74 HA ARG 74 6.727 21.769 -2.615 569 HB2 ARG 74 HB2 ARG 74 6.988 24.611 -2.167 570 HB3 ARG 74 HB3 ARG 74 5.618 24.018 -1.243 571 HG2 ARG 74 HG2 ARG 74 7.606 23.918 0.102 572 HG3 ARG 74 HG3 ARG 74 7.034 22.270 -0.211 573 HD2 ARG 74 HD2 ARG 74 8.761 21.956 -1.930 574 HD3 ARG 74 HD3 ARG 74 9.211 23.649 -1.832 575 HE ARG 74 HE ARG 74 9.660 21.564 0.249 576 HH11 ARG 74 HH11 ARG 74 10.562 24.710 -1.013 577 HH12 ARG 74 HH12 ARG 74 11.943 24.862 -0.109 578 HH21 ARG 74 HH21 ARG 74 11.574 21.726 1.393 579 HH22 ARG 74 HH22 ARG 74 12.399 23.275 1.436 580 H LYS 75 H LYS 75 4.286 23.469 -4.424 581 HA LYS 75 HA LYS 75 2.018 22.346 -3.058 582 HB2 LYS 75 HB2 LYS 75 1.620 24.231 -4.403 583 HB3 LYS 75 HB3 LYS 75 2.582 23.645 -5.750 584 HG2 LYS 75 HG2 LYS 75 -0.076 22.337 -5.053 585 HG3 LYS 75 HG3 LYS 75 0.030 23.832 -5.975 586 HD2 LYS 75 HD2 LYS 75 1.628 22.612 -7.574 587 HD3 LYS 75 HD3 LYS 75 1.062 21.103 -6.818 588 HE2 LYS 75 HE2 LYS 75 -1.288 21.694 -7.335 589 HE3 LYS 75 HE3 LYS 75 -0.754 23.219 -8.049 590 HZ1 LYS 75 HZ1 LYS 75 -1.137 21.680 -9.825 591 HZ2 LYS 75 HZ2 LYS 75 -0.197 20.501 -9.175 592 HZ3 LYS 75 HZ3 LYS 75 0.413 21.888 -9.793 593 H LEU 76 H LEU 76 4.265 21.019 -5.329 594 HA LEU 76 HA LEU 76 2.593 18.531 -5.607 595 HB2 LEU 76 HB2 LEU 76 3.788 19.687 -7.581 596 HB3 LEU 76 HB3 LEU 76 5.319 19.180 -6.879 597 HG LEU 76 HG LEU 76 3.207 17.069 -7.345 598 HD11 LEU 76 HD11 LEU 76 3.967 16.793 -9.671 599 HD12 LEU 76 HD12 LEU 76 4.967 18.252 -9.531 600 HD13 LEU 76 HD13 LEU 76 3.184 18.361 -9.420 601 HD21 LEU 76 HD21 LEU 76 5.381 16.431 -6.311 602 HD22 LEU 76 HD22 LEU 76 6.235 17.066 -7.729 603 HD23 LEU 76 HD23 LEU 76 5.149 15.666 -7.886 604 H VAL 77 H VAL 77 5.703 19.603 -4.506 605 HA VAL 77 HA VAL 77 6.610 17.055 -3.539 606 HB VAL 77 HB VAL 77 7.274 19.780 -2.342 607 HG11 VAL 77 HG11 VAL 77 8.066 17.935 -0.908 608 HG12 VAL 77 HG12 VAL 77 8.827 17.178 -2.332 609 HG13 VAL 77 HG13 VAL 77 9.423 18.726 -1.703 610 HG21 VAL 77 HG21 VAL 77 7.787 19.526 -4.866 611 HG22 VAL 77 HG22 VAL 77 9.134 19.896 -3.797 612 HG23 VAL 77 HG23 VAL 77 8.896 18.246 -4.414 613 H THR 78 H THR 78 4.627 19.508 -1.927 614 HA THR 78 HA THR 78 4.461 18.060 0.538 615 HB THR 78 HB THR 78 2.572 20.187 -0.597 616 HG1 THR 78 HG1 THR 78 4.442 21.105 -0.385 617 HG21 THR 78 HG21 THR 78 2.047 20.666 1.785 618 HG22 THR 78 HG22 THR 78 3.010 19.261 2.285 619 HG23 THR 78 HG23 THR 78 1.520 19.036 1.336 620 H ALA 79 H ALA 79 2.609 17.916 -2.450 621 HA ALA 79 HA ALA 79 0.506 16.423 -1.066 622 HB1 ALA 79 HB1 ALA 79 0.926 16.935 -4.059 623 HB2 ALA 79 HB2 ALA 79 -0.557 16.292 -3.316 624 HB3 ALA 79 HB3 ALA 79 -0.051 17.963 -2.982 625 H ILE 80 H ILE 80 3.334 15.661 -2.807 626 HA ILE 80 HA ILE 80 2.622 12.790 -3.090 627 HB ILE 80 HB ILE 80 5.270 14.212 -3.384 628 HG12 ILE 80 HG12 ILE 80 3.667 14.869 -5.140 629 HG13 ILE 80 HG13 ILE 80 5.049 13.977 -5.765 630 HG21 ILE 80 HG21 ILE 80 4.454 11.307 -3.918 631 HG22 ILE 80 HG22 ILE 80 5.942 12.033 -4.564 632 HG23 ILE 80 HG23 ILE 80 5.721 11.884 -2.821 633 HD11 ILE 80 HD11 ILE 80 3.656 11.970 -6.052 634 HD12 ILE 80 HD12 ILE 80 2.265 12.813 -5.321 635 HD13 ILE 80 HD13 ILE 80 2.933 13.361 -6.868 636 H LYS 81 H LYS 81 4.401 14.869 -0.739 637 HA LYS 81 HA LYS 81 5.448 12.580 0.760 638 HB2 LYS 81 HB2 LYS 81 6.258 15.017 0.880 639 HB3 LYS 81 HB3 LYS 81 4.840 15.386 1.851 640 HG2 LYS 81 HG2 LYS 81 5.505 13.682 3.533 641 HG3 LYS 81 HG3 LYS 81 6.933 13.261 2.587 642 HD2 LYS 81 HD2 LYS 81 6.367 16.027 3.730 643 HD3 LYS 81 HD3 LYS 81 7.329 14.807 4.568 644 HE2 LYS 81 HE2 LYS 81 8.095 15.430 1.735 645 HE3 LYS 81 HE3 LYS 81 8.340 16.709 2.889 646 HZ1 LYS 81 HZ1 LYS 81 9.633 14.017 2.889 647 HZ2 LYS 81 HZ2 LYS 81 9.659 15.003 4.248 648 HZ3 LYS 81 HZ3 LYS 81 10.316 15.468 2.850 649 H ALA 82 H ALA 82 2.692 14.671 0.961 650 HA ALA 82 HA ALA 82 1.527 13.583 3.380 651 HB1 ALA 82 HB1 ALA 82 0.995 15.861 2.558 652 HB2 ALA 82 HB2 ALA 82 0.199 15.166 1.126 653 HB3 ALA 82 HB3 ALA 82 -0.479 14.892 2.745 654 H ALA 83 H ALA 83 0.836 12.903 -0.093 655 HA ALA 83 HA ALA 83 -1.061 10.843 0.410 656 HB1 ALA 83 HB1 ALA 83 -0.716 11.846 -1.818 657 HB2 ALA 83 HB2 ALA 83 0.920 11.150 -1.882 658 HB3 ALA 83 HB3 ALA 83 -0.502 10.084 -1.880 659 H LEU 84 H LEU 84 2.420 10.773 0.320 660 HA LEU 84 HA LEU 84 2.642 7.901 0.406 661 HB2 LEU 84 HB2 LEU 84 4.408 9.598 -0.339 662 HB3 LEU 84 HB3 LEU 84 4.743 9.928 1.346 663 HG LEU 84 HG LEU 84 6.306 8.488 0.146 664 HD11 LEU 84 HD11 LEU 84 6.688 6.846 1.866 665 HD12 LEU 84 HD12 LEU 84 5.006 6.899 2.394 666 HD13 LEU 84 HD13 LEU 84 6.064 8.310 2.627 667 HD21 LEU 84 HD21 LEU 84 4.415 7.320 -1.194 668 HD22 LEU 84 HD22 LEU 84 4.252 6.237 0.205 669 HD23 LEU 84 HD23 LEU 84 5.771 6.328 -0.705 670 H ALA 85 H ALA 85 3.203 10.288 2.942 671 HA ALA 85 HA ALA 85 3.509 8.301 5.019 672 HB1 ALA 85 HB1 ALA 85 2.846 11.272 5.266 673 HB2 ALA 85 HB2 ALA 85 3.476 10.234 6.564 674 HB3 ALA 85 HB3 ALA 85 4.481 10.581 5.144 675 H GLN 86 H GLN 86 0.695 9.356 3.583 676 HA GLN 86 HA GLN 86 -1.031 8.528 5.872 677 HB2 GLN 86 HB2 GLN 86 -1.470 10.674 4.784 678 HB3 GLN 86 HB3 GLN 86 -1.765 9.868 3.251 679 HG2 GLN 86 HG2 GLN 86 -3.400 9.063 5.680 680 HG3 GLN 86 HG3 GLN 86 -3.709 10.630 4.954 681 HE21 GLN 86 HE21 GLN 86 -3.508 10.132 2.171 682 HE22 GLN 86 HE22 GLN 86 -4.821 8.965 1.852 683 H CYS 87 H CYS 87 -0.317 7.670 2.579 684 HA CYS 87 HA CYS 87 -1.828 5.196 2.410 685 HB2 CYS 87 HB2 CYS 87 -0.736 6.482 0.531 686 HB3 CYS 87 HB3 CYS 87 0.845 5.947 1.120 687 HG CYS 87 HG CYS 87 0.030 4.571 -1.046 688 H GLN 88 H GLN 88 1.368 5.997 3.676 689 HA GLN 88 HA GLN 88 2.378 3.446 4.142 690 HB2 GLN 88 HB2 GLN 88 3.686 5.496 4.337 691 HB3 GLN 88 HB3 GLN 88 2.761 6.010 5.760 692 HG2 GLN 88 HG2 GLN 88 3.742 4.284 7.125 693 HG3 GLN 88 HG3 GLN 88 4.454 3.487 5.707 694 HE21 GLN 88 HE21 GLN 88 6.621 3.978 5.307 695 HE22 GLN 88 HE22 GLN 88 7.356 5.441 5.985 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -0.208 1.378 -1.148 2 H2 MET 1 H2 MET 1 0.550 0.885 0.221 3 H3 MET 1 H3 MET 1 -0.439 -0.137 -0.621 4 HA MET 1 HA MET 1 1.871 -0.703 -0.945 5 HB2 MET 1 HB2 MET 1 0.602 0.478 -3.461 6 HB3 MET 1 HB3 MET 1 1.913 -0.710 -3.403 7 HG2 MET 1 HG2 MET 1 0.284 -2.182 -2.040 8 HG3 MET 1 HG3 MET 1 -0.974 -1.089 -2.640 9 HE1 MET 1 HE1 MET 1 -0.974 -4.221 -2.992 10 HE2 MET 1 HE2 MET 1 -2.260 -3.144 -3.583 11 HE3 MET 1 HE3 MET 1 -1.544 -4.357 -4.672 12 H ALA 2 H ALA 2 3.541 0.361 -2.999 13 HA ALA 2 HA ALA 2 4.469 2.947 -1.972 14 HB1 ALA 2 HB1 ALA 2 6.103 1.356 -2.948 15 HB2 ALA 2 HB2 ALA 2 5.198 1.358 -4.478 16 HB3 ALA 2 HB3 ALA 2 6.007 2.835 -3.915 17 H LEU 3 H LEU 3 4.345 4.875 -3.306 18 HA LEU 3 HA LEU 3 1.738 5.169 -4.637 19 HB2 LEU 3 HB2 LEU 3 3.003 6.817 -2.891 20 HB3 LEU 3 HB3 LEU 3 3.696 7.395 -4.419 21 HG LEU 3 HG LEU 3 1.412 7.834 -5.258 22 HD11 LEU 3 HD11 LEU 3 0.080 6.313 -3.829 23 HD12 LEU 3 HD12 LEU 3 -0.460 7.985 -3.646 24 HD13 LEU 3 HD13 LEU 3 0.559 7.241 -2.395 25 HD21 LEU 3 HD21 LEU 3 1.086 9.853 -3.864 26 HD22 LEU 3 HD22 LEU 3 2.794 9.599 -4.226 27 HD23 LEU 3 HD23 LEU 3 2.156 9.180 -2.615 28 H ALA 4 H ALA 4 1.615 4.884 -6.675 29 HA ALA 4 HA ALA 4 3.837 4.662 -8.516 30 HB1 ALA 4 HB1 ALA 4 1.947 3.101 -8.439 31 HB2 ALA 4 HB2 ALA 4 0.820 4.401 -8.888 32 HB3 ALA 4 HB3 ALA 4 2.053 3.843 -10.033 33 H VAL 5 H VAL 5 4.842 6.565 -9.331 34 HA VAL 5 HA VAL 5 3.060 8.705 -10.361 35 HB VAL 5 HB VAL 5 5.919 9.077 -9.645 36 HG11 VAL 5 HG11 VAL 5 5.032 10.836 -11.072 37 HG12 VAL 5 HG12 VAL 5 3.684 11.092 -9.939 38 HG13 VAL 5 HG13 VAL 5 5.351 11.449 -9.460 39 HG21 VAL 5 HG21 VAL 5 3.617 9.827 -7.814 40 HG22 VAL 5 HG22 VAL 5 4.702 8.457 -7.513 41 HG23 VAL 5 HG23 VAL 5 5.334 10.100 -7.531 42 H ARG 6 H ARG 6 3.475 9.599 -12.223 43 HA ARG 6 HA ARG 6 5.393 8.525 -14.183 44 HB2 ARG 6 HB2 ARG 6 2.579 7.891 -14.180 45 HB3 ARG 6 HB3 ARG 6 2.803 9.092 -15.445 46 HG2 ARG 6 HG2 ARG 6 2.978 6.818 -16.332 47 HG3 ARG 6 HG3 ARG 6 4.498 7.701 -16.536 48 HD2 ARG 6 HD2 ARG 6 4.891 5.396 -15.844 49 HD3 ARG 6 HD3 ARG 6 5.485 6.536 -14.636 50 HE ARG 6 HE ARG 6 2.850 5.713 -13.950 51 HH11 ARG 6 HH11 ARG 6 6.110 4.175 -13.813 52 HH12 ARG 6 HH12 ARG 6 5.792 3.757 -12.153 53 HH21 ARG 6 HH21 ARG 6 2.669 4.898 -11.867 54 HH22 ARG 6 HH22 ARG 6 4.095 4.034 -11.268 55 H VAL 7 H VAL 7 5.722 9.883 -16.015 56 HA VAL 7 HA VAL 7 4.890 12.686 -15.919 57 HB VAL 7 HB VAL 7 7.814 11.787 -16.104 58 HG11 VAL 7 HG11 VAL 7 7.266 13.766 -17.507 59 HG12 VAL 7 HG12 VAL 7 6.591 14.568 -16.078 60 HG13 VAL 7 HG13 VAL 7 8.320 14.183 -16.148 61 HG21 VAL 7 HG21 VAL 7 6.438 13.282 -13.852 62 HG22 VAL 7 HG22 VAL 7 7.188 11.673 -13.766 63 HG23 VAL 7 HG23 VAL 7 8.200 13.094 -14.044 64 H VAL 8 H VAL 8 4.092 12.937 -18.017 65 HA VAL 8 HA VAL 8 5.647 11.543 -20.190 66 HB VAL 8 HB VAL 8 2.925 12.781 -20.433 67 HG11 VAL 8 HG11 VAL 8 4.618 11.427 -22.545 68 HG12 VAL 8 HG12 VAL 8 2.915 11.892 -22.705 69 HG13 VAL 8 HG13 VAL 8 4.134 13.144 -22.474 70 HG21 VAL 8 HG21 VAL 8 2.931 10.563 -19.314 71 HG22 VAL 8 HG22 VAL 8 2.174 10.528 -20.908 72 HG23 VAL 8 HG23 VAL 8 3.823 9.892 -20.708 73 H TYR 9 H TYR 9 6.988 12.613 -21.532 74 HA TYR 9 HA TYR 9 6.617 15.484 -21.868 75 HB2 TYR 9 HB2 TYR 9 8.078 15.549 -19.919 76 HB3 TYR 9 HB3 TYR 9 9.193 14.442 -20.742 77 HD1 TYR 9 HD1 TYR 9 7.533 17.632 -21.844 78 HD2 TYR 9 HD2 TYR 9 11.218 15.519 -21.184 79 HE1 TYR 9 HE1 TYR 9 8.795 19.528 -22.859 80 HE2 TYR 9 HE2 TYR 9 12.487 17.438 -22.168 81 HH TYR 9 HH TYR 9 12.236 19.373 -23.498 82 H SER 10 H SER 10 7.350 16.279 -23.643 83 HA SER 10 HA SER 10 8.311 14.694 -25.900 84 HB2 SER 10 HB2 SER 10 8.300 16.888 -27.042 85 HB3 SER 10 HB3 SER 10 6.755 16.505 -26.253 86 HG SER 10 HG SER 10 8.792 18.127 -25.170 87 H GLY 11 H GLY 11 10.155 13.908 -24.622 88 HA2 GLY 11 HA2 GLY 11 12.306 15.441 -23.674 89 HA3 GLY 11 HA3 GLY 11 12.354 13.716 -24.050 90 H ALA 12 H ALA 12 11.854 16.204 -26.490 91 HA ALA 12 HA ALA 12 13.747 15.052 -28.285 92 HB1 ALA 12 HB1 ALA 12 13.252 17.007 -29.690 93 HB2 ALA 12 HB2 ALA 12 11.767 16.361 -28.968 94 HB3 ALA 12 HB3 ALA 12 12.510 17.839 -28.307 95 H CYS 13 H CYS 13 14.395 17.272 -25.726 96 HA CYS 13 HA CYS 13 17.213 16.957 -26.282 97 HB2 CYS 13 HB2 CYS 13 16.512 19.134 -27.479 98 HB3 CYS 13 HB3 CYS 13 16.239 19.813 -25.857 99 HG CYS 13 HG CYS 13 18.948 18.713 -27.388 100 H GLY 14 H GLY 14 18.510 17.549 -24.420 101 HA2 GLY 14 HA2 GLY 14 19.132 17.509 -22.215 102 HA3 GLY 14 HA3 GLY 14 17.831 18.686 -22.043 103 H TYR 15 H TYR 15 16.251 15.932 -22.762 104 HA TYR 15 HA TYR 15 14.798 16.110 -20.570 105 HB2 TYR 15 HB2 TYR 15 13.491 14.383 -21.317 106 HB3 TYR 15 HB3 TYR 15 14.373 14.819 -22.782 107 HD1 TYR 15 HD2 TYR 15 16.442 13.366 -23.406 108 HD2 TYR 15 HD1 TYR 15 13.501 12.193 -20.474 109 HE1 TYR 15 HE2 TYR 15 17.365 11.045 -23.393 110 HE2 TYR 15 HE1 TYR 15 14.400 9.882 -20.479 111 HH TYR 15 HH TYR 15 15.809 8.419 -21.809 112 H LYS 16 H LYS 16 17.269 13.603 -20.747 113 HA LYS 16 HA LYS 16 16.494 12.117 -18.541 114 HB2 LYS 16 HB2 LYS 16 18.138 11.474 -20.287 115 HB3 LYS 16 HB3 LYS 16 19.393 12.401 -19.454 116 HG2 LYS 16 HG2 LYS 16 19.129 10.984 -17.449 117 HG3 LYS 16 HG3 LYS 16 17.803 10.095 -18.225 118 HD2 LYS 16 HD2 LYS 16 20.693 10.171 -19.213 119 HD3 LYS 16 HD3 LYS 16 19.960 8.869 -18.261 120 HE2 LYS 16 HE2 LYS 16 18.251 8.549 -20.083 121 HE3 LYS 16 HE3 LYS 16 19.101 9.756 -21.057 122 HZ1 LYS 16 HZ1 LYS 16 21.063 8.306 -21.017 123 HZ2 LYS 16 HZ2 LYS 16 19.766 7.526 -21.650 124 HZ3 LYS 16 HZ3 LYS 16 20.255 7.192 -20.118 125 HA PRO 17 HA PRO 17 18.890 14.453 -15.198 126 HB2 PRO 17 HB2 PRO 17 19.982 16.925 -15.694 127 HB3 PRO 17 HB3 PRO 17 20.889 15.391 -15.876 128 HG2 PRO 17 HG2 PRO 17 19.480 16.989 -18.041 129 HG3 PRO 17 HG3 PRO 17 21.149 16.330 -18.060 130 HD2 PRO 17 HD2 PRO 17 19.115 15.002 -19.255 131 HD3 PRO 17 HD3 PRO 17 20.376 14.119 -18.345 132 H LYS 18 H LYS 18 17.127 16.430 -17.691 133 HA LYS 18 HA LYS 18 15.908 18.193 -15.780 134 HB2 LYS 18 HB2 LYS 18 16.155 18.406 -18.325 135 HB3 LYS 18 HB3 LYS 18 14.729 17.380 -18.485 136 HG2 LYS 18 HG2 LYS 18 14.780 19.974 -16.871 137 HG3 LYS 18 HG3 LYS 18 14.489 19.950 -18.599 138 HD2 LYS 18 HD2 LYS 18 12.326 19.518 -18.337 139 HD3 LYS 18 HD3 LYS 18 12.669 18.054 -17.415 140 HE2 LYS 18 HE2 LYS 18 12.976 19.484 -15.356 141 HE3 LYS 18 HE3 LYS 18 12.500 20.900 -16.309 142 HZ1 LYS 18 HZ1 LYS 18 10.595 20.028 -15.155 143 HZ2 LYS 18 HZ2 LYS 18 10.829 18.520 -15.754 144 HZ3 LYS 18 HZ3 LYS 18 10.377 19.742 -16.756 145 H TYR 19 H TYR 19 15.039 14.994 -16.798 146 HA TYR 19 HA TYR 19 12.635 14.712 -15.131 147 HB2 TYR 19 HB2 TYR 19 14.436 12.950 -16.810 148 HB3 TYR 19 HB3 TYR 19 13.590 12.176 -15.492 149 HD1 TYR 19 HD1 TYR 19 11.586 14.846 -17.029 150 HD2 TYR 19 HD2 TYR 19 12.802 10.707 -17.326 151 HE1 TYR 19 HE1 TYR 19 9.595 14.350 -18.402 152 HE2 TYR 19 HE2 TYR 19 10.817 10.246 -18.761 153 HH TYR 19 HH TYR 19 8.440 12.746 -19.622 154 H LEU 20 H LEU 20 15.975 13.383 -14.802 155 HA LEU 20 HA LEU 20 15.538 12.160 -12.320 156 HB2 LEU 20 HB2 LEU 20 18.012 13.417 -13.433 157 HB3 LEU 20 HB3 LEU 20 18.059 12.437 -12.025 158 HG LEU 20 HG LEU 20 17.082 11.320 -14.683 159 HD11 LEU 20 HD11 LEU 20 19.820 11.086 -13.365 160 HD12 LEU 20 HD12 LEU 20 19.454 11.995 -14.847 161 HD13 LEU 20 HD13 LEU 20 19.289 10.230 -14.829 162 HD21 LEU 20 HD21 LEU 20 17.460 9.146 -13.616 163 HD22 LEU 20 HD22 LEU 20 16.281 10.095 -12.698 164 HD23 LEU 20 HD23 LEU 20 17.951 9.950 -12.111 165 H GLN 21 H GLN 21 16.703 15.534 -12.842 166 HA GLN 21 HA GLN 21 17.390 16.061 -10.189 167 HB2 GLN 21 HB2 GLN 21 17.986 17.271 -12.300 168 HB3 GLN 21 HB3 GLN 21 16.352 17.947 -12.381 169 HG2 GLN 21 HG2 GLN 21 18.227 18.271 -10.031 170 HG3 GLN 21 HG3 GLN 21 18.255 19.387 -11.412 171 HE21 GLN 21 HE21 GLN 21 17.609 20.062 -8.582 172 HE22 GLN 21 HE22 GLN 21 15.971 20.723 -8.736 173 H LEU 22 H LEU 22 14.211 16.286 -11.769 174 HA LEU 22 HA LEU 22 12.889 17.316 -9.362 175 HB2 LEU 22 HB2 LEU 22 12.121 17.821 -11.687 176 HB3 LEU 22 HB3 LEU 22 11.764 16.101 -11.921 177 HG LEU 22 HG LEU 22 10.059 16.234 -10.083 178 HD11 LEU 22 HD11 LEU 22 9.295 18.503 -9.362 179 HD12 LEU 22 HD12 LEU 22 10.715 19.219 -10.162 180 HD13 LEU 22 HD13 LEU 22 10.915 18.127 -8.774 181 HD21 LEU 22 HD21 LEU 22 8.408 17.515 -11.383 182 HD22 LEU 22 HD22 LEU 22 9.412 16.509 -12.434 183 HD23 LEU 22 HD23 LEU 22 9.716 18.260 -12.331 184 H LYS 23 H LYS 23 13.490 14.114 -10.890 185 HA LYS 23 HA LYS 23 11.616 12.641 -9.256 186 HB2 LYS 23 HB2 LYS 23 13.518 11.995 -11.461 187 HB3 LYS 23 HB3 LYS 23 13.729 10.986 -10.092 188 HG2 LYS 23 HG2 LYS 23 11.350 10.413 -10.225 189 HG3 LYS 23 HG3 LYS 23 11.120 11.654 -11.491 190 HD2 LYS 23 HD2 LYS 23 11.378 9.730 -12.764 191 HD3 LYS 23 HD3 LYS 23 13.014 10.375 -12.812 192 HE2 LYS 23 HE2 LYS 23 11.918 8.328 -10.900 193 HE3 LYS 23 HE3 LYS 23 12.839 7.966 -12.392 194 HZ1 LYS 23 HZ1 LYS 23 14.817 8.784 -11.243 195 HZ2 LYS 23 HZ2 LYS 23 14.013 7.761 -10.192 196 HZ3 LYS 23 HZ3 LYS 23 13.873 9.253 -9.943 197 H GLU 24 H GLU 24 15.143 12.820 -9.191 198 HA GLU 24 HA GLU 24 15.875 11.392 -6.975 199 HB2 GLU 24 HB2 GLU 24 17.364 12.591 -8.535 200 HB3 GLU 24 HB3 GLU 24 16.868 14.134 -7.851 201 HG2 GLU 24 HG2 GLU 24 17.957 12.244 -5.826 202 HG3 GLU 24 HG3 GLU 24 19.089 12.602 -7.135 203 H LYS 25 H LYS 25 14.621 14.704 -6.835 204 HA LYS 25 HA LYS 25 14.731 15.058 -3.981 205 HB2 LYS 25 HB2 LYS 25 13.822 16.552 -6.329 206 HB3 LYS 25 HB3 LYS 25 12.470 16.465 -5.202 207 HG2 LYS 25 HG2 LYS 25 13.515 18.390 -4.519 208 HG3 LYS 25 HG3 LYS 25 14.162 17.180 -3.399 209 HD2 LYS 25 HD2 LYS 25 15.500 18.540 -5.786 210 HD3 LYS 25 HD3 LYS 25 15.955 18.639 -4.067 211 HE2 LYS 25 HE2 LYS 25 16.388 16.070 -4.264 212 HE3 LYS 25 HE3 LYS 25 16.279 16.316 -6.005 213 HZ1 LYS 25 HZ1 LYS 25 18.276 17.628 -4.238 214 HZ2 LYS 25 HZ2 LYS 25 18.189 17.711 -5.923 215 HZ3 LYS 25 HZ3 LYS 25 18.471 16.310 -5.201 216 H LEU 26 H LEU 26 12.156 13.786 -5.922 217 HA LEU 26 HA LEU 26 10.299 13.459 -3.732 218 HB2 LEU 26 HB2 LEU 26 10.209 13.633 -6.530 219 HB3 LEU 26 HB3 LEU 26 9.920 11.923 -6.256 220 HG LEU 26 HG LEU 26 8.059 12.494 -4.756 221 HD11 LEU 26 HD11 LEU 26 8.679 14.769 -3.979 222 HD12 LEU 26 HD12 LEU 26 7.099 14.792 -4.749 223 HD13 LEU 26 HD13 LEU 26 8.529 15.376 -5.638 224 HD21 LEU 26 HD21 LEU 26 7.595 12.054 -7.101 225 HD22 LEU 26 HD22 LEU 26 7.998 13.729 -7.552 226 HD23 LEU 26 HD23 LEU 26 6.544 13.376 -6.607 227 H GLU 27 H GLU 27 12.304 11.192 -5.575 228 HA GLU 27 HA GLU 27 11.925 8.849 -3.995 229 HB2 GLU 27 HB2 GLU 27 14.000 9.994 -5.873 230 HB3 GLU 27 HB3 GLU 27 14.482 8.629 -4.891 231 HG2 GLU 27 HG2 GLU 27 13.115 7.119 -5.917 232 HG3 GLU 27 HG3 GLU 27 11.880 8.310 -6.305 233 H HIS 28 H HIS 28 14.290 11.549 -3.515 234 HA HIS 28 HA HIS 28 15.600 10.456 -1.251 235 HB2 HIS 28 HB2 HIS 28 16.444 12.397 -2.393 236 HB3 HIS 28 HB3 HIS 28 14.959 13.299 -2.121 237 HD1 HIS 28 HD1 HIS 28 16.022 11.723 1.084 238 HD2 HIS 28 HD2 HIS 28 16.516 15.248 -1.107 239 HE1 HIS 28 HE1 HIS 28 17.053 13.432 2.696 240 H GLU 29 H GLU 29 12.634 12.425 -1.494 241 HA GLU 29 HA GLU 29 12.211 12.652 1.351 242 HB2 GLU 29 HB2 GLU 29 10.875 13.378 -1.189 243 HB3 GLU 29 HB3 GLU 29 9.753 12.971 0.083 244 HG2 GLU 29 HG2 GLU 29 12.019 14.918 0.639 245 HG3 GLU 29 HG3 GLU 29 10.601 15.445 -0.267 246 H PHE 30 H PHE 30 11.055 10.366 -1.087 247 HA PHE 30 HA PHE 30 9.688 8.719 1.006 248 HB2 PHE 30 HB2 PHE 30 8.828 9.184 -1.860 249 HB3 PHE 30 HB3 PHE 30 7.894 8.428 -0.576 250 HD1 PHE 30 HD2 PHE 30 7.621 10.082 1.608 251 HD2 PHE 30 HD1 PHE 30 8.231 11.352 -2.460 252 HE1 PHE 30 HE2 PHE 30 6.767 12.321 2.171 253 HE2 PHE 30 HE1 PHE 30 7.386 13.609 -1.891 254 HZ PHE 30 HZ PHE 30 6.669 14.117 0.416 255 HA PRO 31 HA PRO 31 12.862 6.562 -1.711 256 HB2 PRO 31 HB2 PRO 31 14.452 5.274 0.084 257 HB3 PRO 31 HB3 PRO 31 14.663 6.973 -0.447 258 HG2 PRO 31 HG2 PRO 31 13.249 5.974 2.056 259 HG3 PRO 31 HG3 PRO 31 14.449 7.304 1.929 260 HD2 PRO 31 HD2 PRO 31 11.785 7.825 1.988 261 HD3 PRO 31 HD3 PRO 31 12.872 8.738 0.898 262 H GLY 32 H GLY 32 12.323 4.941 -2.664 263 HA2 GLY 32 HA2 GLY 32 10.855 3.306 -3.455 264 HA3 GLY 32 HA3 GLY 32 11.491 2.335 -2.136 265 H CYS 33 H CYS 33 9.795 4.996 -0.807 266 HA CYS 33 HA CYS 33 7.370 3.524 -0.295 267 HB2 CYS 33 HB2 CYS 33 7.775 6.440 0.207 268 HB3 CYS 33 HB3 CYS 33 6.841 5.262 1.135 269 HG CYS 33 HG CYS 33 10.074 4.767 1.020 270 H LEU 34 H LEU 34 8.782 5.441 -2.744 271 HA LEU 34 HA LEU 34 6.225 5.723 -4.198 272 HB2 LEU 34 HB2 LEU 34 8.421 7.688 -3.673 273 HB3 LEU 34 HB3 LEU 34 8.083 7.390 -5.393 274 HG LEU 34 HG LEU 34 5.718 7.718 -4.992 275 HD11 LEU 34 HD11 LEU 34 6.508 9.040 -2.375 276 HD12 LEU 34 HD12 LEU 34 5.655 7.493 -2.487 277 HD13 LEU 34 HD13 LEU 34 4.890 8.981 -3.061 278 HD21 LEU 34 HD21 LEU 34 7.479 10.105 -4.360 279 HD22 LEU 34 HD22 LEU 34 5.844 10.148 -5.085 280 HD23 LEU 34 HD23 LEU 34 7.175 9.428 -5.975 281 H ASP 35 H ASP 35 6.282 5.380 -6.270 282 HA ASP 35 HA ASP 35 8.722 4.477 -7.746 283 HB2 ASP 35 HB2 ASP 35 6.968 2.806 -7.962 284 HB3 ASP 35 HB3 ASP 35 5.786 4.101 -8.032 285 H ILE 36 H ILE 36 9.205 5.860 -9.296 286 HA ILE 36 HA ILE 36 7.268 7.640 -10.469 287 HB ILE 36 HB ILE 36 9.964 8.733 -9.913 288 HG12 ILE 36 HG12 ILE 36 8.345 10.550 -8.584 289 HG13 ILE 36 HG13 ILE 36 7.659 9.002 -8.111 290 HG21 ILE 36 HG21 ILE 36 8.955 9.635 -11.943 291 HG22 ILE 36 HG22 ILE 36 7.443 9.989 -11.097 292 HG23 ILE 36 HG23 ILE 36 8.908 10.913 -10.732 293 HD11 ILE 36 HD11 ILE 36 10.595 9.831 -7.936 294 HD12 ILE 36 HD12 ILE 36 9.464 9.682 -6.567 295 HD13 ILE 36 HD13 ILE 36 9.952 8.235 -7.471 296 H CYS 37 H CYS 37 7.333 7.024 -12.310 297 HA CYS 37 HA CYS 37 9.887 6.578 -13.857 298 HB2 CYS 37 HB2 CYS 37 7.158 5.434 -14.466 299 HB3 CYS 37 HB3 CYS 37 8.548 5.345 -15.544 300 HG CYS 37 HG CYS 37 8.411 4.209 -12.384 301 H GLY 38 H GLY 38 9.644 7.243 -16.222 302 HA2 GLY 38 HA2 GLY 38 7.632 9.252 -16.781 303 HA3 GLY 38 HA3 GLY 38 9.297 9.849 -16.863 304 H GLU 39 H GLU 39 7.651 9.838 -19.054 305 HA GLU 39 HA GLU 39 8.331 7.531 -20.786 306 HB2 GLU 39 HB2 GLU 39 6.433 7.046 -19.404 307 HB3 GLU 39 HB3 GLU 39 5.569 8.497 -19.963 308 HG2 GLU 39 HG2 GLU 39 5.640 7.619 -22.271 309 HG3 GLU 39 HG3 GLU 39 6.526 6.192 -21.728 310 H GLY 40 H GLY 40 9.409 8.656 -22.122 311 HA2 GLY 40 HA2 GLY 40 8.378 11.115 -23.446 312 HA3 GLY 40 HA3 GLY 40 9.987 10.436 -23.693 313 H THR 41 H THR 41 6.506 9.690 -24.208 314 HA THR 41 HA THR 41 7.064 8.066 -26.591 315 HB THR 41 HB THR 41 4.466 8.058 -26.681 316 HG1 THR 41 HG1 THR 41 3.997 8.351 -24.197 317 HG21 THR 41 HG21 THR 41 5.697 6.123 -25.914 318 HG22 THR 41 HG22 THR 41 4.331 6.398 -24.820 319 HG23 THR 41 HG23 THR 41 5.972 6.859 -24.329 320 HA PRO 42 HA PRO 42 6.527 11.325 -29.547 321 HB2 PRO 42 HB2 PRO 42 5.562 10.027 -31.753 322 HB3 PRO 42 HB3 PRO 42 7.222 9.788 -31.125 323 HG2 PRO 42 HG2 PRO 42 4.764 8.085 -30.580 324 HG3 PRO 42 HG3 PRO 42 6.384 7.542 -31.131 325 HD2 PRO 42 HD2 PRO 42 5.680 7.459 -28.515 326 HD3 PRO 42 HD3 PRO 42 7.339 7.925 -29.000 327 H GLN 43 H GLN 43 3.926 10.085 -27.947 328 HA GLN 43 HA GLN 43 1.731 11.372 -29.377 329 HB2 GLN 43 HB2 GLN 43 1.562 9.371 -27.844 330 HB3 GLN 43 HB3 GLN 43 1.877 10.444 -26.477 331 HG2 GLN 43 HG2 GLN 43 -0.213 11.613 -26.831 332 HG3 GLN 43 HG3 GLN 43 -0.408 10.909 -28.442 333 HE21 GLN 43 HE21 GLN 43 -0.234 9.866 -24.931 334 HE22 GLN 43 HE22 GLN 43 -1.362 8.545 -25.260 335 H VAL 44 H VAL 44 4.360 12.571 -27.526 336 HA VAL 44 HA VAL 44 2.979 15.202 -27.285 337 HB VAL 44 HB VAL 44 4.400 15.679 -25.318 338 HG11 VAL 44 HG11 VAL 44 2.936 14.649 -23.723 339 HG12 VAL 44 HG12 VAL 44 1.958 14.855 -25.182 340 HG13 VAL 44 HG13 VAL 44 2.608 13.273 -24.797 341 HG21 VAL 44 HG21 VAL 44 6.101 13.813 -25.641 342 HG22 VAL 44 HG22 VAL 44 5.422 13.946 -24.020 343 HG23 VAL 44 HG23 VAL 44 4.862 12.672 -25.114 344 H THR 45 H THR 45 3.907 16.838 -28.242 345 HA THR 45 HA THR 45 6.780 16.630 -29.113 346 HB THR 45 HB THR 45 5.181 16.342 -30.955 347 HG1 THR 45 HG1 THR 45 6.927 18.539 -30.816 348 HG21 THR 45 HG21 THR 45 3.983 18.264 -31.858 349 HG22 THR 45 HG22 THR 45 4.465 19.275 -30.487 350 HG23 THR 45 HG23 THR 45 3.369 17.891 -30.239 351 H GLY 46 H GLY 46 4.793 18.432 -27.121 352 HA2 GLY 46 HA2 GLY 46 6.898 20.350 -26.561 353 HA3 GLY 46 HA3 GLY 46 5.498 21.106 -27.350 354 H PHE 47 H PHE 47 5.439 18.379 -25.072 355 HA PHE 47 HA PHE 47 3.641 19.941 -23.267 356 HB2 PHE 47 HB2 PHE 47 3.025 17.148 -24.276 357 HB3 PHE 47 HB3 PHE 47 1.978 18.193 -23.346 358 HD1 PHE 47 HD1 PHE 47 2.262 20.798 -24.998 359 HD2 PHE 47 HD2 PHE 47 1.663 16.694 -26.178 360 HE1 PHE 47 HE1 PHE 47 1.348 21.544 -27.165 361 HE2 PHE 47 HE2 PHE 47 0.718 17.439 -28.321 362 HZ PHE 47 HZ PHE 47 0.577 19.871 -28.843 363 H PHE 48 H PHE 48 3.812 19.371 -21.125 364 HA PHE 48 HA PHE 48 5.442 17.064 -20.282 365 HB2 PHE 48 HB2 PHE 48 6.676 19.427 -20.211 366 HB3 PHE 48 HB3 PHE 48 5.608 19.735 -18.862 367 HD1 PHE 48 HD2 PHE 48 5.586 17.881 -16.928 368 HD2 PHE 48 HD1 PHE 48 8.815 18.536 -19.703 369 HE1 PHE 48 HE2 PHE 48 7.150 16.808 -15.365 370 HE2 PHE 48 HE1 PHE 48 10.346 17.322 -18.222 371 HZ PHE 48 HZ PHE 48 9.525 16.459 -16.007 372 H GLU 49 H GLU 49 4.111 15.861 -18.863 373 HA GLU 49 HA GLU 49 2.233 17.360 -17.099 374 HB2 GLU 49 HB2 GLU 49 0.850 15.282 -17.304 375 HB3 GLU 49 HB3 GLU 49 0.821 16.424 -18.684 376 HG2 GLU 49 HG2 GLU 49 2.170 14.902 -19.973 377 HG3 GLU 49 HG3 GLU 49 2.512 13.917 -18.531 378 H VAL 50 H VAL 50 1.693 16.347 -15.137 379 HA VAL 50 HA VAL 50 3.425 14.029 -14.322 380 HB VAL 50 HB VAL 50 2.773 16.384 -12.527 381 HG11 VAL 50 HG11 VAL 50 2.822 14.334 -11.207 382 HG12 VAL 50 HG12 VAL 50 4.360 13.847 -11.959 383 HG13 VAL 50 HG13 VAL 50 4.281 15.262 -10.885 384 HG21 VAL 50 HG21 VAL 50 4.609 16.944 -14.095 385 HG22 VAL 50 HG22 VAL 50 5.224 16.762 -12.453 386 HG23 VAL 50 HG23 VAL 50 5.456 15.459 -13.646 387 H THR 51 H THR 51 2.370 12.386 -13.497 388 HA THR 51 HA THR 51 -0.335 12.793 -12.319 389 HB THR 51 HB THR 51 0.334 10.330 -13.914 390 HG1 THR 51 HG1 THR 51 0.208 11.916 -15.558 391 HG21 THR 51 HG21 THR 51 -1.958 9.960 -14.133 392 HG22 THR 51 HG22 THR 51 -2.346 11.468 -13.308 393 HG23 THR 51 HG23 THR 51 -1.536 10.131 -12.418 394 H VAL 52 H VAL 52 -0.692 11.636 -10.468 395 HA VAL 52 HA VAL 52 1.124 9.435 -9.639 396 HB VAL 52 HB VAL 52 1.795 11.366 -8.390 397 HG11 VAL 52 HG11 VAL 52 -1.068 11.650 -7.365 398 HG12 VAL 52 HG12 VAL 52 0.344 12.577 -6.828 399 HG13 VAL 52 HG13 VAL 52 -0.250 12.761 -8.479 400 HG21 VAL 52 HG21 VAL 52 1.599 9.083 -7.262 401 HG22 VAL 52 HG22 VAL 52 1.609 10.470 -6.168 402 HG23 VAL 52 HG23 VAL 52 0.088 9.652 -6.526 403 H ALA 53 H ALA 53 0.108 7.739 -8.695 404 HA ALA 53 HA ALA 53 -1.571 6.156 -8.781 405 HB1 ALA 53 HB1 ALA 53 -3.265 6.506 -7.056 406 HB2 ALA 53 HB2 ALA 53 -1.691 7.109 -6.511 407 HB3 ALA 53 HB3 ALA 53 -2.937 8.252 -7.055 408 H GLY 54 H GLY 54 -1.749 7.964 -11.125 409 HA2 GLY 54 HA2 GLY 54 -3.184 8.323 -12.941 410 HA3 GLY 54 HA3 GLY 54 -4.383 7.290 -12.156 411 H LYS 55 H LYS 55 -2.891 10.355 -11.134 412 HA LYS 55 HA LYS 55 -5.371 11.963 -11.320 413 HB2 LYS 55 HB2 LYS 55 -3.542 11.932 -8.977 414 HB3 LYS 55 HB3 LYS 55 -5.028 12.855 -9.106 415 HG2 LYS 55 HG2 LYS 55 -4.779 9.824 -8.844 416 HG3 LYS 55 HG3 LYS 55 -5.157 10.933 -7.531 417 HD2 LYS 55 HD2 LYS 55 -7.286 11.484 -8.386 418 HD3 LYS 55 HD3 LYS 55 -6.951 10.819 -9.982 419 HE2 LYS 55 HE2 LYS 55 -7.150 9.171 -7.417 420 HE3 LYS 55 HE3 LYS 55 -8.451 9.381 -8.599 421 HZ1 LYS 55 HZ1 LYS 55 -5.849 8.019 -9.070 422 HZ2 LYS 55 HZ2 LYS 55 -6.819 8.459 -10.280 423 HZ3 LYS 55 HZ3 LYS 55 -7.343 7.354 -9.153 424 H LEU 56 H LEU 56 -4.765 13.672 -12.626 425 HA LEU 56 HA LEU 56 -1.992 14.392 -13.103 426 HB2 LEU 56 HB2 LEU 56 -3.541 14.474 -14.812 427 HB3 LEU 56 HB3 LEU 56 -4.653 15.576 -13.970 428 HG LEU 56 HG LEU 56 -1.818 16.370 -14.745 429 HD11 LEU 56 HD11 LEU 56 -2.968 15.511 -16.763 430 HD12 LEU 56 HD12 LEU 56 -2.730 17.253 -16.858 431 HD13 LEU 56 HD13 LEU 56 -4.339 16.601 -16.456 432 HD21 LEU 56 HD21 LEU 56 -3.024 17.997 -13.283 433 HD22 LEU 56 HD22 LEU 56 -4.383 18.001 -14.412 434 HD23 LEU 56 HD23 LEU 56 -2.798 18.652 -14.905 435 H VAL 57 H VAL 57 -0.815 15.694 -12.167 436 HA VAL 57 HA VAL 57 -1.791 17.618 -10.058 437 HB VAL 57 HB VAL 57 1.045 16.622 -10.588 438 HG11 VAL 57 HG11 VAL 57 -0.126 18.317 -8.336 439 HG12 VAL 57 HG12 VAL 57 1.497 17.604 -8.317 440 HG13 VAL 57 HG13 VAL 57 1.089 18.822 -9.528 441 HG21 VAL 57 HG21 VAL 57 -0.353 14.790 -9.718 442 HG22 VAL 57 HG22 VAL 57 0.791 15.340 -8.488 443 HG23 VAL 57 HG23 VAL 57 -0.917 15.830 -8.394 444 H HIS 58 H HIS 58 0.054 17.281 -13.036 445 HA HIS 58 HA HIS 58 0.326 20.244 -13.363 446 HB2 HIS 58 HB2 HIS 58 2.362 19.147 -12.435 447 HB3 HIS 58 HB3 HIS 58 2.267 17.999 -13.770 448 HD1 HIS 58 HD1 HIS 58 2.778 21.872 -13.770 449 HD2 HIS 58 HD2 HIS 58 3.699 18.261 -15.754 450 HE1 HIS 58 HE1 HIS 58 4.155 22.457 -15.848 451 H SER 59 H SER 59 0.499 20.887 -15.398 452 HA SER 59 HA SER 59 1.016 19.149 -17.589 453 HB2 SER 59 HB2 SER 59 -1.656 19.232 -17.180 454 HB3 SER 59 HB3 SER 59 -1.531 20.612 -18.225 455 HG SER 59 HG SER 59 -0.803 17.980 -18.851 456 H LYS 60 H LYS 60 2.791 20.635 -18.147 457 HA LYS 60 HA LYS 60 2.612 23.387 -18.422 458 HB2 LYS 60 HB2 LYS 60 4.578 21.794 -18.572 459 HB3 LYS 60 HB3 LYS 60 4.159 21.518 -20.257 460 HG2 LYS 60 HG2 LYS 60 5.976 23.118 -19.802 461 HG3 LYS 60 HG3 LYS 60 4.720 23.791 -20.861 462 HD2 LYS 60 HD2 LYS 60 4.970 24.232 -17.890 463 HD3 LYS 60 HD3 LYS 60 5.909 25.183 -19.046 464 HE2 LYS 60 HE2 LYS 60 3.690 25.791 -20.189 465 HE3 LYS 60 HE3 LYS 60 2.881 25.197 -18.768 466 HZ1 LYS 60 HZ1 LYS 60 4.270 26.812 -17.446 467 HZ2 LYS 60 HZ2 LYS 60 3.117 27.436 -18.357 468 HZ3 LYS 60 HZ3 LYS 60 4.686 27.536 -18.870 469 H LYS 61 H LYS 61 1.517 20.965 -20.555 470 HA LYS 61 HA LYS 61 0.764 22.501 -22.894 471 HB2 LYS 61 HB2 LYS 61 0.907 20.030 -22.799 472 HB3 LYS 61 HB3 LYS 61 -0.565 19.952 -21.824 473 HG2 LYS 61 HG2 LYS 61 -0.531 21.343 -24.526 474 HG3 LYS 61 HG3 LYS 61 -0.623 19.593 -24.449 475 HD2 LYS 61 HD2 LYS 61 -2.741 19.511 -23.617 476 HD3 LYS 61 HD3 LYS 61 -2.655 21.037 -22.779 477 HE2 LYS 61 HE2 LYS 61 -2.982 20.660 -25.784 478 HE3 LYS 61 HE3 LYS 61 -4.221 21.154 -24.626 479 HZ1 LYS 61 HZ1 LYS 61 -2.701 23.122 -24.138 480 HZ2 LYS 61 HZ2 LYS 61 -3.441 23.140 -25.617 481 HZ3 LYS 61 HZ3 LYS 61 -1.859 22.722 -25.464 482 H ARG 62 H ARG 62 -1.079 21.930 -19.849 483 HA ARG 62 HA ARG 62 -3.303 23.555 -20.809 484 HB2 ARG 62 HB2 ARG 62 -4.430 22.931 -19.016 485 HB3 ARG 62 HB3 ARG 62 -3.345 21.564 -19.161 486 HG2 ARG 62 HG2 ARG 62 -3.704 21.959 -16.889 487 HG3 ARG 62 HG3 ARG 62 -2.046 22.432 -17.215 488 HD2 ARG 62 HD2 ARG 62 -2.657 24.780 -17.117 489 HD3 ARG 62 HD3 ARG 62 -4.363 24.363 -16.849 490 HE ARG 62 HE ARG 62 -2.007 23.892 -15.040 491 HH11 ARG 62 HH11 ARG 62 -5.504 24.235 -15.204 492 HH12 ARG 62 HH12 ARG 62 -5.659 23.999 -13.479 493 HH21 ARG 62 HH21 ARG 62 -2.311 23.504 -12.986 494 HH22 ARG 62 HH22 ARG 62 -3.885 23.539 -12.212 495 H GLY 63 H GLY 63 -0.291 24.234 -19.230 496 HA2 GLY 63 HA2 GLY 63 -0.045 26.827 -19.627 497 HA3 GLY 63 HA3 GLY 63 -1.238 26.890 -18.331 498 H ASP 64 H ASP 64 0.280 24.191 -17.535 499 HA ASP 64 HA ASP 64 0.243 25.486 -15.235 500 HB2 ASP 64 HB2 ASP 64 -0.173 23.090 -15.844 501 HB3 ASP 64 HB3 ASP 64 1.568 22.813 -15.687 502 H GLY 65 H GLY 65 3.294 24.548 -16.809 503 HA2 GLY 65 HA2 GLY 65 5.470 25.557 -16.299 504 HA3 GLY 65 HA3 GLY 65 4.757 26.367 -14.908 505 H TYR 66 H TYR 66 7.216 25.090 -14.885 506 HA TYR 66 HA TYR 66 7.171 22.337 -13.831 507 HB2 TYR 66 HB2 TYR 66 9.324 24.454 -14.248 508 HB3 TYR 66 HB3 TYR 66 9.642 22.829 -13.669 509 HD1 TYR 66 HD1 TYR 66 7.524 21.436 -15.651 510 HD2 TYR 66 HD2 TYR 66 10.848 24.179 -16.113 511 HE1 TYR 66 HE1 TYR 66 7.989 20.523 -17.864 512 HE2 TYR 66 HE2 TYR 66 11.328 23.191 -18.350 513 HH TYR 66 HH TYR 66 10.513 21.655 -20.020 514 H VAL 67 H VAL 67 9.258 22.687 -11.903 515 HA VAL 67 HA VAL 67 7.756 23.993 -9.698 516 HB VAL 67 HB VAL 67 9.511 23.646 -8.244 517 HG11 VAL 67 HG11 VAL 67 9.021 21.182 -7.906 518 HG12 VAL 67 HG12 VAL 67 7.575 22.131 -8.316 519 HG13 VAL 67 HG13 VAL 67 8.360 21.119 -9.547 520 HG21 VAL 67 HG21 VAL 67 11.189 21.775 -8.639 521 HG22 VAL 67 HG22 VAL 67 10.710 21.742 -10.351 522 HG23 VAL 67 HG23 VAL 67 11.513 23.167 -9.659 523 H ASP 68 H ASP 68 7.573 25.773 -10.786 524 HA ASP 68 HA ASP 68 9.630 27.543 -11.682 525 HB2 ASP 68 HB2 ASP 68 6.825 28.103 -10.838 526 HB3 ASP 68 HB3 ASP 68 7.823 29.082 -11.882 527 H THR 69 H THR 69 8.191 26.974 -8.470 528 HA THR 69 HA THR 69 9.924 28.996 -7.250 529 HB THR 69 HB THR 69 7.961 29.554 -5.830 530 HG1 THR 69 HG1 THR 69 6.327 28.872 -7.928 531 HG21 THR 69 HG21 THR 69 8.771 31.172 -7.536 532 HG22 THR 69 HG22 THR 69 7.025 31.311 -7.244 533 HG23 THR 69 HG23 THR 69 7.623 30.486 -8.700 534 H GLU 70 H GLU 70 10.104 28.703 -4.944 535 HA GLU 70 HA GLU 70 10.130 26.062 -3.970 536 HB2 GLU 70 HB2 GLU 70 10.219 28.847 -2.785 537 HB3 GLU 70 HB3 GLU 70 9.807 27.558 -1.652 538 HG2 GLU 70 HG2 GLU 70 12.269 27.380 -3.415 539 HG3 GLU 70 HG3 GLU 70 12.270 28.208 -1.850 540 H SER 71 H SER 71 7.541 28.395 -3.707 541 HA SER 71 HA SER 71 5.869 26.726 -2.048 542 HB2 SER 71 HB2 SER 71 5.513 29.244 -2.923 543 HB3 SER 71 HB3 SER 71 4.553 28.431 -4.170 544 HG SER 71 HG SER 71 4.171 28.627 -1.411 545 H LYS 72 H LYS 72 6.270 26.820 -5.610 546 HA LYS 72 HA LYS 72 4.369 24.804 -6.224 547 HB2 LYS 72 HB2 LYS 72 6.603 26.333 -7.493 548 HB3 LYS 72 HB3 LYS 72 6.416 24.746 -8.145 549 HG2 LYS 72 HG2 LYS 72 3.744 25.669 -7.975 550 HG3 LYS 72 HG3 LYS 72 4.659 27.153 -8.306 551 HD2 LYS 72 HD2 LYS 72 5.710 26.075 -10.239 552 HD3 LYS 72 HD3 LYS 72 4.909 24.524 -9.826 553 HE2 LYS 72 HE2 LYS 72 2.738 25.666 -9.982 554 HE3 LYS 72 HE3 LYS 72 3.581 27.124 -10.566 555 HZ1 LYS 72 HZ1 LYS 72 2.903 25.748 -12.517 556 HZ2 LYS 72 HZ2 LYS 72 3.745 24.460 -11.931 557 HZ3 LYS 72 HZ3 LYS 72 4.520 25.825 -12.359 558 H PHE 73 H PHE 73 7.870 24.535 -5.592 559 HA PHE 73 HA PHE 73 7.971 21.670 -5.976 560 HB2 PHE 73 HB2 PHE 73 10.027 22.914 -5.871 561 HB3 PHE 73 HB3 PHE 73 9.632 23.551 -4.280 562 HD1 PHE 73 HD2 PHE 73 9.616 20.014 -5.696 563 HD2 PHE 73 HD1 PHE 73 11.129 22.743 -2.718 564 HE1 PHE 73 HE2 PHE 73 10.740 18.135 -4.536 565 HE2 PHE 73 HE1 PHE 73 12.236 20.856 -1.552 566 HZ PHE 73 HZ PHE 73 12.014 18.539 -2.449 567 H ARG 74 H ARG 74 7.348 23.578 -3.025 568 HA ARG 74 HA ARG 74 6.753 21.365 -1.351 569 HB2 ARG 74 HB2 ARG 74 6.584 24.360 -1.293 570 HB3 ARG 74 HB3 ARG 74 5.395 23.559 -0.318 571 HG2 ARG 74 HG2 ARG 74 7.243 24.035 1.076 572 HG3 ARG 74 HG3 ARG 74 7.226 22.285 0.851 573 HD2 ARG 74 HD2 ARG 74 9.121 22.411 -0.687 574 HD3 ARG 74 HD3 ARG 74 9.019 24.181 -0.735 575 HE ARG 74 HE ARG 74 9.331 23.382 1.977 576 HH11 ARG 74 HH11 ARG 74 11.281 23.769 -0.841 577 HH12 ARG 74 HH12 ARG 74 12.569 24.284 -0.008 578 HH21 ARG 74 HH21 ARG 74 11.236 23.885 3.073 579 HH22 ARG 74 HH22 ARG 74 12.684 24.052 2.101 580 H LYS 75 H LYS 75 4.651 22.882 -3.720 581 HA LYS 75 HA LYS 75 2.213 21.745 -2.606 582 HB2 LYS 75 HB2 LYS 75 2.920 23.175 -5.144 583 HB3 LYS 75 HB3 LYS 75 1.653 21.956 -5.279 584 HG2 LYS 75 HG2 LYS 75 0.519 23.965 -4.859 585 HG3 LYS 75 HG3 LYS 75 0.440 23.044 -3.352 586 HD2 LYS 75 HD2 LYS 75 2.361 24.407 -2.479 587 HD3 LYS 75 HD3 LYS 75 2.329 25.336 -4.007 588 HE2 LYS 75 HE2 LYS 75 0.093 26.140 -3.540 589 HE3 LYS 75 HE3 LYS 75 -0.006 25.152 -2.074 590 HZ1 LYS 75 HZ1 LYS 75 1.720 26.450 -1.080 591 HZ2 LYS 75 HZ2 LYS 75 0.651 27.530 -1.698 592 HZ3 LYS 75 HZ3 LYS 75 2.087 27.237 -2.456 593 H LEU 76 H LEU 76 4.751 20.575 -4.766 594 HA LEU 76 HA LEU 76 3.213 18.103 -5.309 595 HB2 LEU 76 HB2 LEU 76 4.963 19.013 -6.947 596 HB3 LEU 76 HB3 LEU 76 6.203 18.636 -5.755 597 HG LEU 76 HG LEU 76 5.547 16.218 -5.844 598 HD11 LEU 76 HD11 LEU 76 3.858 17.079 -8.229 599 HD12 LEU 76 HD12 LEU 76 3.237 16.398 -6.707 600 HD13 LEU 76 HD13 LEU 76 4.228 15.402 -7.772 601 HD21 LEU 76 HD21 LEU 76 7.441 17.028 -7.172 602 HD22 LEU 76 HD22 LEU 76 6.351 17.436 -8.514 603 HD23 LEU 76 HD23 LEU 76 6.576 15.742 -8.026 604 H VAL 77 H VAL 77 5.973 19.039 -3.424 605 HA VAL 77 HA VAL 77 6.309 16.520 -2.092 606 HB VAL 77 HB VAL 77 6.970 19.322 -1.125 607 HG11 VAL 77 HG11 VAL 77 7.661 16.685 0.200 608 HG12 VAL 77 HG12 VAL 77 8.459 18.219 0.572 609 HG13 VAL 77 HG13 VAL 77 6.737 18.027 0.914 610 HG21 VAL 77 HG21 VAL 77 9.274 18.657 -1.623 611 HG22 VAL 77 HG22 VAL 77 8.739 17.037 -2.109 612 HG23 VAL 77 HG23 VAL 77 8.272 18.461 -3.066 613 H THR 78 H THR 78 4.131 19.189 -1.196 614 HA THR 78 HA THR 78 3.143 17.833 1.117 615 HB THR 78 HB THR 78 1.684 19.857 -0.638 616 HG1 THR 78 HG1 THR 78 3.521 20.694 0.179 617 HG21 THR 78 HG21 THR 78 0.386 20.379 1.422 618 HG22 THR 78 HG22 THR 78 1.156 19.010 2.251 619 HG23 THR 78 HG23 THR 78 0.078 18.731 0.864 620 H ALA 79 H ALA 79 2.150 17.668 -2.277 621 HA ALA 79 HA ALA 79 -0.245 16.192 -1.426 622 HB1 ALA 79 HB1 ALA 79 0.862 16.729 -4.236 623 HB2 ALA 79 HB2 ALA 79 -0.756 16.089 -3.872 624 HB3 ALA 79 HB3 ALA 79 -0.329 17.748 -3.397 625 H ILE 80 H ILE 80 2.899 15.444 -2.402 626 HA ILE 80 HA ILE 80 2.301 12.577 -2.903 627 HB ILE 80 HB ILE 80 4.899 14.134 -2.842 628 HG12 ILE 80 HG12 ILE 80 3.406 14.658 -4.797 629 HG13 ILE 80 HG13 ILE 80 4.944 13.937 -5.228 630 HG21 ILE 80 HG21 ILE 80 5.930 12.100 -3.789 631 HG22 ILE 80 HG22 ILE 80 5.272 11.783 -2.180 632 HG23 ILE 80 HG23 ILE 80 4.391 11.224 -3.587 633 HD11 ILE 80 HD11 ILE 80 2.279 12.470 -5.149 634 HD12 ILE 80 HD12 ILE 80 3.063 13.121 -6.598 635 HD13 ILE 80 HD13 ILE 80 3.830 11.796 -5.719 636 H LYS 81 H LYS 81 3.491 14.712 -0.281 637 HA LYS 81 HA LYS 81 4.315 12.456 1.392 638 HB2 LYS 81 HB2 LYS 81 4.992 14.897 1.622 639 HB3 LYS 81 HB3 LYS 81 3.417 15.256 2.301 640 HG2 LYS 81 HG2 LYS 81 3.847 13.879 4.235 641 HG3 LYS 81 HG3 LYS 81 5.307 13.188 3.528 642 HD2 LYS 81 HD2 LYS 81 4.933 16.135 4.189 643 HD3 LYS 81 HD3 LYS 81 5.743 14.989 5.255 644 HE2 LYS 81 HE2 LYS 81 6.727 15.281 2.393 645 HE3 LYS 81 HE3 LYS 81 7.082 16.560 3.536 646 HZ1 LYS 81 HZ1 LYS 81 8.284 14.960 4.897 647 HZ2 LYS 81 HZ2 LYS 81 8.811 14.913 3.365 648 HZ3 LYS 81 HZ3 LYS 81 7.898 13.715 3.855 649 H ALA 82 H ALA 82 1.473 14.424 1.122 650 HA ALA 82 HA ALA 82 -0.105 13.170 3.213 651 HB1 ALA 82 HB1 ALA 82 -2.016 14.342 2.155 652 HB2 ALA 82 HB2 ALA 82 -0.620 15.423 2.332 653 HB3 ALA 82 HB3 ALA 82 -1.010 14.729 0.742 654 H ALA 83 H ALA 83 -0.120 12.676 -0.361 655 HA ALA 83 HA ALA 83 -1.925 10.450 -0.218 656 HB1 ALA 83 HB1 ALA 83 -1.285 10.073 -2.567 657 HB2 ALA 83 HB2 ALA 83 -1.628 11.788 -2.263 658 HB3 ALA 83 HB3 ALA 83 0.057 11.229 -2.383 659 H LEU 84 H LEU 84 1.555 10.636 0.047 660 HA LEU 84 HA LEU 84 2.027 7.799 -0.052 661 HB2 LEU 84 HB2 LEU 84 3.820 9.493 -0.228 662 HB3 LEU 84 HB3 LEU 84 3.632 9.933 1.461 663 HG LEU 84 HG LEU 84 5.542 8.495 0.644 664 HD11 LEU 84 HD11 LEU 84 5.134 8.739 3.016 665 HD12 LEU 84 HD12 LEU 84 5.645 7.083 2.658 666 HD13 LEU 84 HD13 LEU 84 3.938 7.445 2.992 667 HD21 LEU 84 HD21 LEU 84 5.175 6.091 0.381 668 HD22 LEU 84 HD22 LEU 84 4.137 6.949 -0.745 669 HD23 LEU 84 HD23 LEU 84 3.472 6.243 0.750 670 H ALA 85 H ALA 85 1.711 9.984 2.706 671 HA ALA 85 HA ALA 85 1.515 7.978 4.701 672 HB1 ALA 85 HB1 ALA 85 1.862 10.383 5.182 673 HB2 ALA 85 HB2 ALA 85 0.175 10.715 4.715 674 HB3 ALA 85 HB3 ALA 85 0.526 9.716 6.144 675 H GLN 86 H GLN 86 -0.861 8.764 2.464 676 HA GLN 86 HA GLN 86 -3.074 7.425 3.888 677 HB2 GLN 86 HB2 GLN 86 -3.379 9.424 2.374 678 HB3 GLN 86 HB3 GLN 86 -3.027 8.375 1.000 679 HG2 GLN 86 HG2 GLN 86 -4.984 6.988 1.522 680 HG3 GLN 86 HG3 GLN 86 -5.271 7.897 3.020 681 HE21 GLN 86 HE21 GLN 86 -6.560 9.821 2.871 682 HE22 GLN 86 HE22 GLN 86 -7.033 10.419 1.264 683 H CYS 87 H CYS 87 -1.070 6.783 1.126 684 HA CYS 87 HA CYS 87 -2.002 4.094 0.586 685 HB2 CYS 87 HB2 CYS 87 -0.650 5.860 -0.831 686 HB3 CYS 87 HB3 CYS 87 0.774 5.062 -0.147 687 HG CYS 87 HG CYS 87 -1.694 3.157 -1.304 688 H GLN 88 H GLN 88 0.435 5.368 2.763 689 HA GLN 88 HA GLN 88 1.613 2.882 3.611 690 HB2 GLN 88 HB2 GLN 88 1.135 5.538 5.034 691 HB3 GLN 88 HB3 GLN 88 1.818 4.153 5.888 692 HG2 GLN 88 HG2 GLN 88 3.709 4.062 4.321 693 HG3 GLN 88 HG3 GLN 88 3.070 5.465 3.465 694 HE21 GLN 88 HE21 GLN 88 5.443 4.633 5.822 695 HE22 GLN 88 HE22 GLN 88 5.394 6.246 6.558 Start of MODEL 14 1 H1 MET 1 H1 MET 1 0.776 1.200 -0.311 2 H2 MET 1 H2 MET 1 1.657 0.037 0.415 3 H3 MET 1 H3 MET 1 0.324 -0.388 -0.414 4 HA MET 1 HA MET 1 2.368 -0.893 -1.617 5 HB2 MET 1 HB2 MET 1 -0.072 0.164 -2.584 6 HB3 MET 1 HB3 MET 1 1.157 1.023 -3.485 7 HG2 MET 1 HG2 MET 1 2.215 -1.066 -4.161 8 HG3 MET 1 HG3 MET 1 1.134 -2.001 -3.125 9 HE1 MET 1 HE1 MET 1 -1.177 -2.752 -3.635 10 HE2 MET 1 HE2 MET 1 -1.784 -1.086 -3.577 11 HE3 MET 1 HE3 MET 1 -2.208 -2.136 -4.946 12 H ALA 2 H ALA 2 3.689 0.444 -3.520 13 HA ALA 2 HA ALA 2 4.829 2.918 -2.356 14 HB1 ALA 2 HB1 ALA 2 6.417 1.258 -3.296 15 HB2 ALA 2 HB2 ALA 2 5.559 1.322 -4.856 16 HB3 ALA 2 HB3 ALA 2 6.407 2.752 -4.242 17 H LEU 3 H LEU 3 4.819 4.859 -3.794 18 HA LEU 3 HA LEU 3 2.206 5.171 -5.009 19 HB2 LEU 3 HB2 LEU 3 3.923 6.807 -3.465 20 HB3 LEU 3 HB3 LEU 3 4.035 7.481 -5.071 21 HG LEU 3 HG LEU 3 2.270 8.708 -4.142 22 HD11 LEU 3 HD11 LEU 3 0.161 8.106 -5.023 23 HD12 LEU 3 HD12 LEU 3 0.487 6.380 -4.974 24 HD13 LEU 3 HD13 LEU 3 1.320 7.375 -6.176 25 HD21 LEU 3 HD21 LEU 3 1.457 6.119 -2.780 26 HD22 LEU 3 HD22 LEU 3 0.556 7.642 -2.623 27 HD23 LEU 3 HD23 LEU 3 2.220 7.531 -2.029 28 H ALA 4 H ALA 4 1.948 4.777 -7.023 29 HA ALA 4 HA ALA 4 3.991 4.623 -9.060 30 HB1 ALA 4 HB1 ALA 4 2.004 3.960 -10.443 31 HB2 ALA 4 HB2 ALA 4 2.072 3.107 -8.902 32 HB3 ALA 4 HB3 ALA 4 0.943 4.462 -9.121 33 H VAL 5 H VAL 5 4.985 6.624 -9.750 34 HA VAL 5 HA VAL 5 3.153 8.781 -10.630 35 HB VAL 5 HB VAL 5 6.039 9.089 -9.980 36 HG11 VAL 5 HG11 VAL 5 5.138 10.932 -11.329 37 HG12 VAL 5 HG12 VAL 5 3.884 11.206 -10.097 38 HG13 VAL 5 HG13 VAL 5 5.591 11.462 -9.718 39 HG21 VAL 5 HG21 VAL 5 5.545 10.045 -7.818 40 HG22 VAL 5 HG22 VAL 5 3.813 9.842 -8.072 41 HG23 VAL 5 HG23 VAL 5 4.866 8.424 -7.853 42 H ARG 6 H ARG 6 3.575 9.786 -12.506 43 HA ARG 6 HA ARG 6 5.252 8.607 -14.690 44 HB2 ARG 6 HB2 ARG 6 2.345 8.462 -14.301 45 HB3 ARG 6 HB3 ARG 6 2.635 9.563 -15.632 46 HG2 ARG 6 HG2 ARG 6 2.160 7.206 -16.270 47 HG3 ARG 6 HG3 ARG 6 3.620 7.894 -16.967 48 HD2 ARG 6 HD2 ARG 6 3.972 5.578 -16.272 49 HD3 ARG 6 HD3 ARG 6 5.009 6.693 -15.388 50 HE ARG 6 HE ARG 6 2.677 6.331 -13.866 51 HH11 ARG 6 HH11 ARG 6 5.529 4.301 -14.597 52 HH12 ARG 6 HH12 ARG 6 5.546 3.814 -12.917 53 HH21 ARG 6 HH21 ARG 6 2.893 5.420 -11.839 54 HH22 ARG 6 HH22 ARG 6 4.247 4.301 -11.637 55 H VAL 7 H VAL 7 5.601 10.119 -16.540 56 HA VAL 7 HA VAL 7 4.971 12.981 -16.137 57 HB VAL 7 HB VAL 7 7.896 12.099 -16.247 58 HG11 VAL 7 HG11 VAL 7 8.350 14.534 -15.932 59 HG12 VAL 7 HG12 VAL 7 7.542 14.215 -17.459 60 HG13 VAL 7 HG13 VAL 7 6.606 14.861 -16.108 61 HG21 VAL 7 HG21 VAL 7 8.143 13.198 -14.059 62 HG22 VAL 7 HG22 VAL 7 6.379 13.410 -13.983 63 HG23 VAL 7 HG23 VAL 7 7.092 11.782 -13.975 64 H VAL 8 H VAL 8 3.922 13.054 -18.195 65 HA VAL 8 HA VAL 8 5.520 12.027 -20.504 66 HB VAL 8 HB VAL 8 3.415 11.036 -20.147 67 HG11 VAL 8 HG11 VAL 8 2.053 13.634 -20.845 68 HG12 VAL 8 HG12 VAL 8 1.288 12.042 -20.659 69 HG13 VAL 8 HG13 VAL 8 2.048 12.809 -19.263 70 HG21 VAL 8 HG21 VAL 8 4.413 11.159 -22.423 71 HG22 VAL 8 HG22 VAL 8 2.648 11.059 -22.458 72 HG23 VAL 8 HG23 VAL 8 3.452 12.619 -22.747 73 H TYR 9 H TYR 9 6.618 13.301 -21.750 74 HA TYR 9 HA TYR 9 5.571 15.979 -22.488 75 HB2 TYR 9 HB2 TYR 9 6.881 16.804 -20.808 76 HB3 TYR 9 HB3 TYR 9 7.879 15.404 -20.753 77 HD1 TYR 9 HD1 TYR 9 7.468 18.662 -22.482 78 HD2 TYR 9 HD2 TYR 9 9.988 15.236 -21.759 79 HE1 TYR 9 HE1 TYR 9 9.435 19.939 -23.300 80 HE2 TYR 9 HE2 TYR 9 11.969 16.559 -22.554 81 HH TYR 9 HH TYR 9 11.703 19.469 -24.214 82 H SER 10 H SER 10 6.798 16.980 -24.096 83 HA SER 10 HA SER 10 7.572 15.239 -26.354 84 HB2 SER 10 HB2 SER 10 6.265 17.303 -26.719 85 HB3 SER 10 HB3 SER 10 7.704 18.258 -26.299 86 HG SER 10 HG SER 10 7.181 16.539 -28.485 87 H GLY 11 H GLY 11 9.315 14.217 -25.543 88 HA2 GLY 11 HA2 GLY 11 11.838 15.323 -24.645 89 HA3 GLY 11 HA3 GLY 11 11.540 13.673 -25.212 90 H ALA 12 H ALA 12 11.099 16.692 -27.013 91 HA ALA 12 HA ALA 12 12.664 15.838 -29.320 92 HB1 ALA 12 HB1 ALA 12 12.098 18.086 -30.152 93 HB2 ALA 12 HB2 ALA 12 10.659 17.303 -29.460 94 HB3 ALA 12 HB3 ALA 12 11.519 18.558 -28.539 95 H CYS 13 H CYS 13 13.643 17.011 -26.316 96 HA CYS 13 HA CYS 13 16.361 17.384 -27.326 97 HB2 CYS 13 HB2 CYS 13 16.789 19.452 -26.172 98 HB3 CYS 13 HB3 CYS 13 15.344 19.682 -27.173 99 HG CYS 13 HG CYS 13 15.063 20.962 -24.895 100 H GLY 14 H GLY 14 17.670 17.912 -25.052 101 HA2 GLY 14 HA2 GLY 14 18.022 15.390 -23.838 102 HA3 GLY 14 HA3 GLY 14 18.744 16.916 -23.308 103 H TYR 15 H TYR 15 15.567 15.319 -23.199 104 HA TYR 15 HA TYR 15 14.493 16.417 -20.925 105 HB2 TYR 15 HB2 TYR 15 13.033 14.527 -20.856 106 HB3 TYR 15 HB3 TYR 15 13.407 14.814 -22.557 107 HD1 TYR 15 HD2 TYR 15 14.897 13.230 -23.807 108 HD2 TYR 15 HD1 TYR 15 13.646 12.487 -19.742 109 HE1 TYR 15 HE2 TYR 15 15.688 10.886 -23.993 110 HE2 TYR 15 HE1 TYR 15 14.417 10.118 -19.947 111 HH TYR 15 HH TYR 15 15.374 8.731 -22.934 112 H LYS 16 H LYS 16 16.897 13.895 -20.955 113 HA LYS 16 HA LYS 16 16.469 12.622 -18.587 114 HB2 LYS 16 HB2 LYS 16 19.117 13.233 -19.957 115 HB3 LYS 16 HB3 LYS 16 19.082 12.259 -18.481 116 HG2 LYS 16 HG2 LYS 16 17.369 11.570 -20.889 117 HG3 LYS 16 HG3 LYS 16 19.051 11.051 -20.788 118 HD2 LYS 16 HD2 LYS 16 17.126 10.446 -18.515 119 HD3 LYS 16 HD3 LYS 16 17.147 9.432 -19.949 120 HE2 LYS 16 HE2 LYS 16 19.674 10.042 -18.367 121 HE3 LYS 16 HE3 LYS 16 18.593 8.696 -17.957 122 HZ1 LYS 16 HZ1 LYS 16 20.387 7.978 -19.442 123 HZ2 LYS 16 HZ2 LYS 16 19.894 9.042 -20.598 124 HZ3 LYS 16 HZ3 LYS 16 18.922 7.797 -20.167 125 HA PRO 17 HA PRO 17 18.686 15.451 -15.532 126 HB2 PRO 17 HB2 PRO 17 19.357 18.032 -16.257 127 HB3 PRO 17 HB3 PRO 17 20.475 16.637 -16.358 128 HG2 PRO 17 HG2 PRO 17 18.768 17.819 -18.580 129 HG3 PRO 17 HG3 PRO 17 20.510 17.395 -18.631 130 HD2 PRO 17 HD2 PRO 17 18.675 15.699 -19.610 131 HD3 PRO 17 HD3 PRO 17 20.051 15.080 -18.655 132 H LYS 18 H LYS 18 16.637 17.242 -17.955 133 HA LYS 18 HA LYS 18 15.306 18.871 -16.002 134 HB2 LYS 18 HB2 LYS 18 15.415 18.986 -18.633 135 HB3 LYS 18 HB3 LYS 18 13.985 17.956 -18.594 136 HG2 LYS 18 HG2 LYS 18 14.240 20.671 -17.199 137 HG3 LYS 18 HG3 LYS 18 13.644 20.461 -18.834 138 HD2 LYS 18 HD2 LYS 18 11.562 20.169 -18.094 139 HD3 LYS 18 HD3 LYS 18 12.062 18.708 -17.267 140 HE2 LYS 18 HE2 LYS 18 11.063 20.019 -15.599 141 HE3 LYS 18 HE3 LYS 18 12.796 20.151 -15.307 142 HZ1 LYS 18 HZ1 LYS 18 11.782 22.334 -15.173 143 HZ2 LYS 18 HZ2 LYS 18 11.060 22.174 -16.640 144 HZ3 LYS 18 HZ3 LYS 18 12.694 22.324 -16.530 145 H TYR 19 H TYR 19 14.699 15.600 -17.095 146 HA TYR 19 HA TYR 19 12.285 15.121 -15.527 147 HB2 TYR 19 HB2 TYR 19 14.218 13.511 -17.212 148 HB3 TYR 19 HB3 TYR 19 13.221 12.688 -16.018 149 HD1 TYR 19 HD2 TYR 19 12.046 15.677 -18.012 150 HD2 TYR 19 HD1 TYR 19 11.917 11.385 -17.437 151 HE1 TYR 19 HE2 TYR 19 9.968 15.530 -19.385 152 HE2 TYR 19 HE1 TYR 19 9.930 11.291 -18.921 153 HH TYR 19 HH TYR 19 8.071 12.658 -19.510 154 H LEU 20 H LEU 20 15.707 13.985 -15.224 155 HA LEU 20 HA LEU 20 15.404 12.659 -12.772 156 HB2 LEU 20 HB2 LEU 20 17.723 14.098 -14.004 157 HB3 LEU 20 HB3 LEU 20 17.919 13.265 -12.499 158 HG LEU 20 HG LEU 20 16.918 11.806 -14.986 159 HD11 LEU 20 HD11 LEU 20 19.217 10.955 -15.249 160 HD12 LEU 20 HD12 LEU 20 19.765 11.990 -13.911 161 HD13 LEU 20 HD13 LEU 20 19.180 12.725 -15.414 162 HD21 LEU 20 HD21 LEU 20 17.671 9.804 -13.765 163 HD22 LEU 20 HD22 LEU 20 16.447 10.684 -12.840 164 HD23 LEU 20 HD23 LEU 20 18.156 10.814 -12.387 165 H GLN 21 H GLN 21 16.251 16.182 -13.212 166 HA GLN 21 HA GLN 21 16.635 16.514 -10.406 167 HB2 GLN 21 HB2 GLN 21 16.560 18.225 -12.886 168 HB3 GLN 21 HB3 GLN 21 16.352 19.019 -11.353 169 HG2 GLN 21 HG2 GLN 21 18.716 18.983 -12.056 170 HG3 GLN 21 HG3 GLN 21 18.463 18.124 -10.532 171 HE21 GLN 21 HE21 GLN 21 18.894 15.762 -10.442 172 HE22 GLN 21 HE22 GLN 21 19.687 15.081 -11.875 173 H LEU 22 H LEU 22 13.721 16.251 -12.132 174 HA LEU 22 HA LEU 22 12.125 17.352 -9.865 175 HB2 LEU 22 HB2 LEU 22 11.347 17.635 -12.248 176 HB3 LEU 22 HB3 LEU 22 11.303 15.877 -12.408 177 HG LEU 22 HG LEU 22 9.621 15.876 -10.449 178 HD11 LEU 22 HD11 LEU 22 9.461 18.831 -11.227 179 HD12 LEU 22 HD12 LEU 22 10.028 18.201 -9.658 180 HD13 LEU 22 HD13 LEU 22 8.349 17.960 -10.150 181 HD21 LEU 22 HD21 LEU 22 8.869 17.235 -13.071 182 HD22 LEU 22 HD22 LEU 22 7.750 16.425 -11.948 183 HD23 LEU 22 HD23 LEU 22 8.983 15.481 -12.791 184 H LYS 23 H LYS 23 13.009 14.356 -11.469 185 HA LYS 23 HA LYS 23 11.317 12.558 -9.909 186 HB2 LYS 23 HB2 LYS 23 12.381 12.361 -12.384 187 HB3 LYS 23 HB3 LYS 23 13.751 11.661 -11.518 188 HG2 LYS 23 HG2 LYS 23 11.020 10.644 -11.012 189 HG3 LYS 23 HG3 LYS 23 11.764 10.231 -12.551 190 HD2 LYS 23 HD2 LYS 23 13.334 9.777 -9.988 191 HD3 LYS 23 HD3 LYS 23 12.042 8.678 -10.438 192 HE2 LYS 23 HE2 LYS 23 13.076 8.560 -12.746 193 HE3 LYS 23 HE3 LYS 23 14.533 9.261 -11.991 194 HZ1 LYS 23 HZ1 LYS 23 14.441 6.691 -11.845 195 HZ2 LYS 23 HZ2 LYS 23 13.134 6.908 -10.845 196 HZ3 LYS 23 HZ3 LYS 23 14.491 7.465 -10.358 197 H GLU 24 H GLU 24 14.819 12.887 -10.055 198 HA GLU 24 HA GLU 24 15.856 11.432 -7.918 199 HB2 GLU 24 HB2 GLU 24 17.083 12.774 -9.656 200 HB3 GLU 24 HB3 GLU 24 16.414 14.230 -8.919 201 HG2 GLU 24 HG2 GLU 24 17.905 12.937 -6.877 202 HG3 GLU 24 HG3 GLU 24 18.894 12.952 -8.351 203 H LYS 25 H LYS 25 14.366 14.706 -7.762 204 HA LYS 25 HA LYS 25 14.911 15.084 -4.944 205 HB2 LYS 25 HB2 LYS 25 13.659 16.592 -7.100 206 HB3 LYS 25 HB3 LYS 25 12.474 16.476 -5.814 207 HG2 LYS 25 HG2 LYS 25 13.742 18.493 -5.521 208 HG3 LYS 25 HG3 LYS 25 14.064 17.367 -4.189 209 HD2 LYS 25 HD2 LYS 25 16.104 18.560 -4.963 210 HD3 LYS 25 HD3 LYS 25 16.251 16.802 -5.139 211 HE2 LYS 25 HE2 LYS 25 15.602 17.013 -7.540 212 HE3 LYS 25 HE3 LYS 25 15.567 18.777 -7.379 213 HZ1 LYS 25 HZ1 LYS 25 17.967 18.680 -6.929 214 HZ2 LYS 25 HZ2 LYS 25 17.704 17.654 -8.231 215 HZ3 LYS 25 HZ3 LYS 25 17.896 17.034 -6.803 216 H LEU 26 H LEU 26 12.055 13.976 -6.579 217 HA LEU 26 HA LEU 26 10.405 13.489 -4.296 218 HB2 LEU 26 HB2 LEU 26 10.436 13.131 -7.263 219 HB3 LEU 26 HB3 LEU 26 9.603 11.855 -6.403 220 HG LEU 26 HG LEU 26 8.249 13.469 -5.226 221 HD11 LEU 26 HD11 LEU 26 9.652 15.500 -5.352 222 HD12 LEU 26 HD12 LEU 26 8.078 15.814 -6.091 223 HD13 LEU 26 HD13 LEU 26 9.500 15.514 -7.124 224 HD21 LEU 26 HD21 LEU 26 8.183 13.649 -8.272 225 HD22 LEU 26 HD22 LEU 26 6.816 14.040 -7.209 226 HD23 LEU 26 HD23 LEU 26 7.433 12.381 -7.273 227 H GLU 27 H GLU 27 12.221 11.232 -6.299 228 HA GLU 27 HA GLU 27 12.028 8.902 -4.672 229 HB2 GLU 27 HB2 GLU 27 13.689 9.884 -6.960 230 HB3 GLU 27 HB3 GLU 27 14.474 8.688 -5.947 231 HG2 GLU 27 HG2 GLU 27 12.654 7.119 -6.231 232 HG3 GLU 27 HG3 GLU 27 11.705 8.302 -7.135 233 H HIS 28 H HIS 28 14.446 11.586 -4.419 234 HA HIS 28 HA HIS 28 15.961 10.316 -2.347 235 HB2 HIS 28 HB2 HIS 28 16.768 12.241 -3.643 236 HB3 HIS 28 HB3 HIS 28 15.486 13.259 -2.987 237 HD1 HIS 28 HD1 HIS 28 16.560 14.857 -1.281 238 HD2 HIS 28 HD2 HIS 28 18.004 10.919 -1.088 239 HE1 HIS 28 HE1 HIS 28 18.284 14.799 0.623 240 H GLU 29 H GLU 29 13.060 12.427 -2.302 241 HA GLU 29 HA GLU 29 12.990 12.593 0.588 242 HB2 GLU 29 HB2 GLU 29 11.302 13.400 -1.728 243 HB3 GLU 29 HB3 GLU 29 10.408 12.969 -0.281 244 HG2 GLU 29 HG2 GLU 29 12.054 14.560 0.976 245 HG3 GLU 29 HG3 GLU 29 12.501 15.148 -0.626 246 H PHE 30 H PHE 30 11.527 10.425 -1.738 247 HA PHE 30 HA PHE 30 10.336 8.743 0.433 248 HB2 PHE 30 HB2 PHE 30 9.238 9.324 -2.327 249 HB3 PHE 30 HB3 PHE 30 8.415 8.489 -1.012 250 HD1 PHE 30 HD1 PHE 30 8.325 9.972 1.275 251 HD2 PHE 30 HD2 PHE 30 8.652 11.559 -2.713 252 HE1 PHE 30 HE1 PHE 30 7.424 12.114 2.062 253 HE2 PHE 30 HE2 PHE 30 7.843 13.763 -1.904 254 HZ PHE 30 HZ PHE 30 7.219 14.059 0.448 255 HA PRO 31 HA PRO 31 13.066 6.420 -2.681 256 HB2 PRO 31 HB2 PRO 31 14.824 5.127 -0.996 257 HB3 PRO 31 HB3 PRO 31 15.085 6.747 -1.713 258 HG2 PRO 31 HG2 PRO 31 13.983 6.075 1.037 259 HG3 PRO 31 HG3 PRO 31 15.241 7.286 0.616 260 HD2 PRO 31 HD2 PRO 31 12.671 8.038 1.014 261 HD3 PRO 31 HD3 PRO 31 13.636 8.755 -0.315 262 H GLY 32 H GLY 32 12.455 4.627 -3.408 263 HA2 GLY 32 HA2 GLY 32 11.244 2.716 -3.827 264 HA3 GLY 32 HA3 GLY 32 11.744 2.156 -2.228 265 H CYS 33 H CYS 33 10.111 4.649 -1.187 266 HA CYS 33 HA CYS 33 7.526 3.395 -0.978 267 HB2 CYS 33 HB2 CYS 33 8.245 6.232 -0.257 268 HB3 CYS 33 HB3 CYS 33 6.929 5.227 0.363 269 HG CYS 33 HG CYS 33 10.165 4.515 0.763 270 H LEU 34 H LEU 34 9.094 5.197 -3.378 271 HA LEU 34 HA LEU 34 6.574 5.733 -4.833 272 HB2 LEU 34 HB2 LEU 34 8.920 7.512 -4.287 273 HB3 LEU 34 HB3 LEU 34 8.524 7.274 -6.008 274 HG LEU 34 HG LEU 34 6.235 7.841 -5.593 275 HD11 LEU 34 HD11 LEU 34 7.067 8.983 -2.912 276 HD12 LEU 34 HD12 LEU 34 6.156 7.482 -3.124 277 HD13 LEU 34 HD13 LEU 34 5.457 9.016 -3.647 278 HD21 LEU 34 HD21 LEU 34 7.869 9.511 -6.430 279 HD22 LEU 34 HD22 LEU 34 8.203 10.015 -4.765 280 HD23 LEU 34 HD23 LEU 34 6.592 10.285 -5.484 281 H ASP 35 H ASP 35 6.574 5.354 -6.860 282 HA ASP 35 HA ASP 35 8.927 4.414 -8.433 283 HB2 ASP 35 HB2 ASP 35 7.126 2.756 -8.589 284 HB3 ASP 35 HB3 ASP 35 5.963 4.069 -8.741 285 H ILE 36 H ILE 36 9.256 5.745 -10.165 286 HA ILE 36 HA ILE 36 7.313 7.682 -11.025 287 HB ILE 36 HB ILE 36 10.006 8.668 -10.558 288 HG12 ILE 36 HG12 ILE 36 7.882 9.663 -8.703 289 HG13 ILE 36 HG13 ILE 36 8.976 8.332 -8.295 290 HG21 ILE 36 HG21 ILE 36 8.777 10.973 -10.914 291 HG22 ILE 36 HG22 ILE 36 8.927 9.894 -12.308 292 HG23 ILE 36 HG23 ILE 36 7.409 9.983 -11.429 293 HD11 ILE 36 HD11 ILE 36 10.937 9.893 -8.894 294 HD12 ILE 36 HD12 ILE 36 9.748 11.199 -8.787 295 HD13 ILE 36 HD13 ILE 36 10.074 10.115 -7.398 296 H CYS 37 H CYS 37 7.239 7.002 -12.818 297 HA CYS 37 HA CYS 37 9.569 6.505 -14.651 298 HB2 CYS 37 HB2 CYS 37 6.665 5.765 -14.918 299 HB3 CYS 37 HB3 CYS 37 7.803 5.656 -16.265 300 HG CYS 37 HG CYS 37 8.190 4.222 -13.238 301 H GLY 38 H GLY 38 9.115 7.428 -16.879 302 HA2 GLY 38 HA2 GLY 38 7.533 9.790 -17.113 303 HA3 GLY 38 HA3 GLY 38 9.246 10.201 -16.957 304 H GLU 39 H GLU 39 7.196 10.227 -19.169 305 HA GLU 39 HA GLU 39 8.263 8.352 -21.196 306 HB2 GLU 39 HB2 GLU 39 5.534 9.628 -20.775 307 HB3 GLU 39 HB3 GLU 39 5.946 8.453 -22.031 308 HG2 GLU 39 HG2 GLU 39 4.789 7.241 -20.360 309 HG3 GLU 39 HG3 GLU 39 6.480 6.767 -20.263 310 H GLY 40 H GLY 40 9.695 10.412 -20.966 311 HA2 GLY 40 HA2 GLY 40 9.158 12.783 -22.553 312 HA3 GLY 40 HA3 GLY 40 10.747 12.242 -21.993 313 H THR 41 H THR 41 8.430 12.222 -24.538 314 HA THR 41 HA THR 41 10.109 10.496 -26.318 315 HB THR 41 HB THR 41 7.806 9.859 -27.283 316 HG1 THR 41 HG1 THR 41 6.953 10.732 -24.719 317 HG21 THR 41 HG21 THR 41 9.155 8.296 -25.959 318 HG22 THR 41 HG22 THR 41 7.427 8.119 -25.598 319 HG23 THR 41 HG23 THR 41 8.493 8.962 -24.455 320 HA PRO 42 HA PRO 42 9.839 13.739 -29.305 321 HB2 PRO 42 HB2 PRO 42 10.046 12.421 -31.707 322 HB3 PRO 42 HB3 PRO 42 11.405 12.571 -30.548 323 HG2 PRO 42 HG2 PRO 42 9.475 10.246 -30.866 324 HG3 PRO 42 HG3 PRO 42 11.269 10.194 -30.801 325 HD2 PRO 42 HD2 PRO 42 9.745 9.713 -28.602 326 HD3 PRO 42 HD3 PRO 42 11.286 10.619 -28.473 327 H GLN 43 H GLN 43 8.547 14.544 -31.132 328 HA GLN 43 HA GLN 43 6.575 15.327 -31.880 329 HB2 GLN 43 HB2 GLN 43 6.545 13.114 -33.049 330 HB3 GLN 43 HB3 GLN 43 5.524 12.484 -31.771 331 HG2 GLN 43 HG2 GLN 43 4.288 14.919 -32.678 332 HG3 GLN 43 HG3 GLN 43 4.821 14.058 -34.121 333 HE21 GLN 43 HE21 GLN 43 3.371 12.376 -34.864 334 HE22 GLN 43 HE22 GLN 43 2.151 11.748 -33.741 335 H VAL 44 H VAL 44 4.190 13.424 -30.489 336 HA VAL 44 HA VAL 44 2.505 13.823 -29.205 337 HB VAL 44 HB VAL 44 2.826 13.807 -26.824 338 HG11 VAL 44 HG11 VAL 44 3.038 11.740 -28.183 339 HG12 VAL 44 HG12 VAL 44 4.801 11.983 -28.244 340 HG13 VAL 44 HG13 VAL 44 4.002 11.694 -26.695 341 HG21 VAL 44 HG21 VAL 44 5.004 13.765 -25.770 342 HG22 VAL 44 HG22 VAL 44 5.815 14.055 -27.312 343 HG23 VAL 44 HG23 VAL 44 4.788 15.321 -26.587 344 H THR 45 H THR 45 4.519 16.602 -28.932 345 HA THR 45 HA THR 45 3.839 18.852 -29.291 346 HB THR 45 HB THR 45 1.325 18.352 -27.677 347 HG1 THR 45 HG1 THR 45 1.136 17.253 -29.506 348 HG21 THR 45 HG21 THR 45 2.181 20.662 -29.476 349 HG22 THR 45 HG22 THR 45 1.870 20.730 -27.715 350 HG23 THR 45 HG23 THR 45 0.545 20.429 -28.835 351 H GLY 46 H GLY 46 4.122 20.639 -27.782 352 HA2 GLY 46 HA2 GLY 46 5.927 20.079 -25.681 353 HA3 GLY 46 HA3 GLY 46 5.261 21.660 -26.099 354 H PHE 47 H PHE 47 3.439 18.908 -24.913 355 HA PHE 47 HA PHE 47 2.441 20.186 -22.470 356 HB2 PHE 47 HB2 PHE 47 2.351 17.266 -23.282 357 HB3 PHE 47 HB3 PHE 47 1.241 18.138 -22.224 358 HD1 PHE 47 HD2 PHE 47 0.716 20.553 -24.144 359 HD2 PHE 47 HD1 PHE 47 0.809 16.280 -24.760 360 HE1 PHE 47 HE2 PHE 47 -0.892 20.780 -26.013 361 HE2 PHE 47 HE1 PHE 47 -0.797 16.518 -26.628 362 HZ PHE 47 HZ PHE 47 -1.675 18.764 -27.240 363 H PHE 48 H PHE 48 2.823 18.986 -20.392 364 HA PHE 48 HA PHE 48 5.058 17.221 -20.090 365 HB2 PHE 48 HB2 PHE 48 6.131 19.589 -20.189 366 HB3 PHE 48 HB3 PHE 48 5.337 19.892 -18.649 367 HD1 PHE 48 HD1 PHE 48 5.833 17.975 -16.766 368 HD2 PHE 48 HD2 PHE 48 8.358 18.982 -20.107 369 HE1 PHE 48 HE1 PHE 48 7.791 17.074 -15.562 370 HE2 PHE 48 HE2 PHE 48 10.295 18.016 -18.952 371 HZ PHE 48 HZ PHE 48 10.031 17.064 -16.645 372 H GLU 49 H GLU 49 3.410 15.792 -19.163 373 HA GLU 49 HA GLU 49 1.721 17.125 -17.136 374 HB2 GLU 49 HB2 GLU 49 1.113 14.814 -18.957 375 HB3 GLU 49 HB3 GLU 49 0.020 15.837 -18.057 376 HG2 GLU 49 HG2 GLU 49 1.676 16.702 -20.466 377 HG3 GLU 49 HG3 GLU 49 0.006 16.215 -20.509 378 H VAL 50 H VAL 50 1.902 16.464 -15.090 379 HA VAL 50 HA VAL 50 3.446 13.930 -14.564 380 HB VAL 50 HB VAL 50 3.055 16.246 -12.650 381 HG11 VAL 50 HG11 VAL 50 4.915 15.148 -11.399 382 HG12 VAL 50 HG12 VAL 50 3.412 14.226 -11.416 383 HG13 VAL 50 HG13 VAL 50 4.747 13.742 -12.473 384 HG21 VAL 50 HG21 VAL 50 5.394 16.825 -13.066 385 HG22 VAL 50 HG22 VAL 50 5.561 15.471 -14.201 386 HG23 VAL 50 HG23 VAL 50 4.540 16.848 -14.618 387 H THR 51 H THR 51 2.425 12.263 -13.654 388 HA THR 51 HA THR 51 -0.245 12.696 -12.415 389 HB THR 51 HB THR 51 0.132 10.059 -13.562 390 HG1 THR 51 HG1 THR 51 0.650 12.193 -15.314 391 HG21 THR 51 HG21 THR 51 -1.763 12.289 -14.357 392 HG22 THR 51 HG22 THR 51 -2.040 11.057 -13.096 393 HG23 THR 51 HG23 THR 51 -1.908 10.569 -14.792 394 H VAL 52 H VAL 52 -0.604 11.538 -10.510 395 HA VAL 52 HA VAL 52 1.249 9.349 -9.725 396 HB VAL 52 HB VAL 52 1.934 11.338 -8.551 397 HG11 VAL 52 HG11 VAL 52 -0.852 11.508 -7.307 398 HG12 VAL 52 HG12 VAL 52 0.543 12.552 -6.976 399 HG13 VAL 52 HG13 VAL 52 -0.244 12.585 -8.563 400 HG21 VAL 52 HG21 VAL 52 1.901 9.107 -7.371 401 HG22 VAL 52 HG22 VAL 52 1.845 10.505 -6.282 402 HG23 VAL 52 HG23 VAL 52 0.364 9.601 -6.623 403 H ALA 53 H ALA 53 0.254 7.575 -8.981 404 HA ALA 53 HA ALA 53 -1.455 6.015 -8.883 405 HB1 ALA 53 HB1 ALA 53 -2.556 8.089 -6.951 406 HB2 ALA 53 HB2 ALA 53 -2.990 6.364 -6.992 407 HB3 ALA 53 HB3 ALA 53 -1.337 6.845 -6.595 408 H GLY 54 H GLY 54 -1.825 7.766 -11.142 409 HA2 GLY 54 HA2 GLY 54 -3.403 7.932 -12.879 410 HA3 GLY 54 HA3 GLY 54 -4.648 7.296 -11.797 411 H LYS 55 H LYS 55 -2.851 10.089 -10.658 412 HA LYS 55 HA LYS 55 -5.135 11.926 -11.231 413 HB2 LYS 55 HB2 LYS 55 -3.480 11.884 -8.769 414 HB3 LYS 55 HB3 LYS 55 -4.972 12.767 -9.020 415 HG2 LYS 55 HG2 LYS 55 -4.673 9.735 -8.762 416 HG3 LYS 55 HG3 LYS 55 -5.170 10.824 -7.480 417 HD2 LYS 55 HD2 LYS 55 -7.311 10.855 -8.136 418 HD3 LYS 55 HD3 LYS 55 -6.897 11.204 -9.807 419 HE2 LYS 55 HE2 LYS 55 -8.202 9.108 -9.513 420 HE3 LYS 55 HE3 LYS 55 -6.681 8.904 -10.379 421 HZ1 LYS 55 HZ1 LYS 55 -7.101 7.171 -8.687 422 HZ2 LYS 55 HZ2 LYS 55 -6.952 8.297 -7.490 423 HZ3 LYS 55 HZ3 LYS 55 -5.683 7.931 -8.491 424 H LEU 56 H LEU 56 -4.439 13.570 -12.507 425 HA LEU 56 HA LEU 56 -1.630 14.302 -12.827 426 HB2 LEU 56 HB2 LEU 56 -3.084 14.502 -14.628 427 HB3 LEU 56 HB3 LEU 56 -4.230 15.554 -13.774 428 HG LEU 56 HG LEU 56 -1.366 16.441 -14.130 429 HD11 LEU 56 HD11 LEU 56 -1.975 15.601 -16.364 430 HD12 LEU 56 HD12 LEU 56 -1.855 17.359 -16.364 431 HD13 LEU 56 HD13 LEU 56 -3.458 16.587 -16.343 432 HD21 LEU 56 HD21 LEU 56 -2.998 17.888 -12.891 433 HD22 LEU 56 HD22 LEU 56 -4.030 17.930 -14.329 434 HD23 LEU 56 HD23 LEU 56 -2.407 18.663 -14.362 435 H VAL 57 H VAL 57 -0.484 15.732 -11.948 436 HA VAL 57 HA VAL 57 -1.648 17.605 -9.872 437 HB VAL 57 HB VAL 57 1.146 16.443 -9.675 438 HG11 VAL 57 HG11 VAL 57 0.810 18.495 -8.373 439 HG12 VAL 57 HG12 VAL 57 -0.689 17.845 -7.674 440 HG13 VAL 57 HG13 VAL 57 0.881 17.120 -7.272 441 HG21 VAL 57 HG21 VAL 57 0.262 14.953 -7.895 442 HG22 VAL 57 HG22 VAL 57 -1.397 15.429 -8.336 443 HG23 VAL 57 HG23 VAL 57 -0.374 14.555 -9.495 444 H HIS 58 H HIS 58 0.477 17.197 -12.592 445 HA HIS 58 HA HIS 58 0.795 20.146 -12.742 446 HB2 HIS 58 HB2 HIS 58 2.894 18.962 -11.968 447 HB3 HIS 58 HB3 HIS 58 2.866 18.115 -13.525 448 HD1 HIS 58 HD1 HIS 58 2.322 21.906 -13.106 449 HD2 HIS 58 HD2 HIS 58 4.565 18.979 -15.151 450 HE1 HIS 58 HE1 HIS 58 3.316 23.005 -15.205 451 H SER 59 H SER 59 0.966 20.945 -14.780 452 HA SER 59 HA SER 59 0.775 19.324 -17.190 453 HB2 SER 59 HB2 SER 59 -1.623 19.668 -16.329 454 HB3 SER 59 HB3 SER 59 -1.296 21.344 -16.321 455 HG SER 59 HG SER 59 -1.230 19.670 -18.650 456 H LYS 60 H LYS 60 2.478 20.437 -18.334 457 HA LYS 60 HA LYS 60 2.573 23.378 -18.279 458 HB2 LYS 60 HB2 LYS 60 3.961 21.218 -19.824 459 HB3 LYS 60 HB3 LYS 60 3.882 22.795 -20.577 460 HG2 LYS 60 HG2 LYS 60 4.820 22.572 -17.703 461 HG3 LYS 60 HG3 LYS 60 5.888 22.154 -19.042 462 HD2 LYS 60 HD2 LYS 60 6.314 24.396 -18.301 463 HD3 LYS 60 HD3 LYS 60 5.729 24.388 -19.976 464 HE2 LYS 60 HE2 LYS 60 3.541 25.173 -19.269 465 HE3 LYS 60 HE3 LYS 60 3.977 24.974 -17.562 466 HZ1 LYS 60 HZ1 LYS 60 5.645 26.718 -17.826 467 HZ2 LYS 60 HZ2 LYS 60 4.183 27.301 -18.299 468 HZ3 LYS 60 HZ3 LYS 60 5.293 26.871 -19.421 469 H LYS 61 H LYS 61 0.814 20.997 -20.129 470 HA LYS 61 HA LYS 61 -0.097 22.512 -22.344 471 HB2 LYS 61 HB2 LYS 61 -0.520 20.075 -21.915 472 HB3 LYS 61 HB3 LYS 61 -1.721 20.532 -20.694 473 HG2 LYS 61 HG2 LYS 61 -2.988 21.781 -22.481 474 HG3 LYS 61 HG3 LYS 61 -1.869 21.115 -23.666 475 HD2 LYS 61 HD2 LYS 61 -3.823 19.591 -21.878 476 HD3 LYS 61 HD3 LYS 61 -3.928 19.850 -23.610 477 HE2 LYS 61 HE2 LYS 61 -3.109 17.747 -23.712 478 HE3 LYS 61 HE3 LYS 61 -1.572 18.603 -23.633 479 HZ1 LYS 61 HZ1 LYS 61 -2.989 17.312 -21.349 480 HZ2 LYS 61 HZ2 LYS 61 -1.658 18.194 -21.152 481 HZ3 LYS 61 HZ3 LYS 61 -1.572 16.818 -22.029 482 H ARG 62 H ARG 62 -1.774 22.291 -19.146 483 HA ARG 62 HA ARG 62 -3.519 24.511 -19.855 484 HB2 ARG 62 HB2 ARG 62 -4.536 24.140 -17.811 485 HB3 ARG 62 HB3 ARG 62 -4.101 22.564 -18.468 486 HG2 ARG 62 HG2 ARG 62 -3.310 21.971 -16.571 487 HG3 ARG 62 HG3 ARG 62 -2.005 23.179 -16.757 488 HD2 ARG 62 HD2 ARG 62 -4.690 23.878 -15.544 489 HD3 ARG 62 HD3 ARG 62 -3.423 23.088 -14.582 490 HE ARG 62 HE ARG 62 -1.896 24.909 -15.376 491 HH11 ARG 62 HH11 ARG 62 -5.226 25.498 -14.659 492 HH12 ARG 62 HH12 ARG 62 -5.018 27.213 -14.396 493 HH21 ARG 62 HH21 ARG 62 -1.676 27.219 -15.146 494 HH22 ARG 62 HH22 ARG 62 -3.053 28.127 -14.632 495 H GLY 63 H GLY 63 -0.330 24.630 -18.967 496 HA2 GLY 63 HA2 GLY 63 0.969 26.504 -18.522 497 HA3 GLY 63 HA3 GLY 63 -0.502 27.497 -18.439 498 H ASP 64 H ASP 64 -0.001 24.485 -16.517 499 HA ASP 64 HA ASP 64 -0.320 25.928 -13.972 500 HB2 ASP 64 HB2 ASP 64 -0.819 23.516 -14.275 501 HB3 ASP 64 HB3 ASP 64 0.903 23.224 -14.540 502 H GLY 65 H GLY 65 2.436 25.164 -15.969 503 HA2 GLY 65 HA2 GLY 65 4.693 26.037 -15.826 504 HA3 GLY 65 HA3 GLY 65 4.271 26.860 -14.320 505 H TYR 66 H TYR 66 6.581 25.266 -14.836 506 HA TYR 66 HA TYR 66 6.430 22.489 -14.027 507 HB2 TYR 66 HB2 TYR 66 8.771 24.449 -14.111 508 HB3 TYR 66 HB3 TYR 66 8.891 22.703 -14.042 509 HD1 TYR 66 HD1 TYR 66 7.567 21.406 -16.032 510 HD2 TYR 66 HD2 TYR 66 9.296 25.364 -16.192 511 HE1 TYR 66 HE1 TYR 66 7.970 21.158 -18.478 512 HE2 TYR 66 HE2 TYR 66 9.621 25.140 -18.628 513 HH TYR 66 HH TYR 66 9.259 23.821 -20.461 514 H VAL 67 H VAL 67 8.536 22.207 -12.231 515 HA VAL 67 HA VAL 67 7.924 23.926 -9.902 516 HB VAL 67 HB VAL 67 9.557 23.167 -8.713 517 HG11 VAL 67 HG11 VAL 67 7.372 21.926 -8.809 518 HG12 VAL 67 HG12 VAL 67 8.036 20.813 -10.010 519 HG13 VAL 67 HG13 VAL 67 8.680 20.795 -8.376 520 HG21 VAL 67 HG21 VAL 67 11.415 22.394 -10.146 521 HG22 VAL 67 HG22 VAL 67 10.867 21.002 -9.229 522 HG23 VAL 67 HG23 VAL 67 10.367 21.189 -10.927 523 H ASP 68 H ASP 68 7.887 25.601 -11.203 524 HA ASP 68 HA ASP 68 10.259 26.903 -12.340 525 HB2 ASP 68 HB2 ASP 68 7.350 27.484 -12.041 526 HB3 ASP 68 HB3 ASP 68 8.462 28.776 -12.448 527 H THR 69 H THR 69 8.722 26.693 -9.137 528 HA THR 69 HA THR 69 10.711 28.481 -8.032 529 HB THR 69 HB THR 69 9.142 29.608 -6.720 530 HG1 THR 69 HG1 THR 69 6.941 29.127 -8.182 531 HG21 THR 69 HG21 THR 69 8.237 30.049 -9.580 532 HG22 THR 69 HG22 THR 69 9.698 30.747 -8.857 533 HG23 THR 69 HG23 THR 69 8.100 31.205 -8.238 534 H GLU 70 H GLU 70 10.736 28.315 -5.653 535 HA GLU 70 HA GLU 70 10.441 25.727 -4.555 536 HB2 GLU 70 HB2 GLU 70 10.836 28.525 -3.537 537 HB3 GLU 70 HB3 GLU 70 10.155 27.410 -2.354 538 HG2 GLU 70 HG2 GLU 70 12.649 26.699 -3.930 539 HG3 GLU 70 HG3 GLU 70 12.710 27.650 -2.439 540 H SER 71 H SER 71 8.127 28.363 -4.500 541 HA SER 71 HA SER 71 6.190 26.973 -2.835 542 HB2 SER 71 HB2 SER 71 6.209 29.471 -3.522 543 HB3 SER 71 HB3 SER 71 5.435 28.946 -5.027 544 HG SER 71 HG SER 71 4.453 28.825 -2.378 545 H LYS 72 H LYS 72 6.799 26.974 -6.208 546 HA LYS 72 HA LYS 72 4.517 25.399 -7.103 547 HB2 LYS 72 HB2 LYS 72 7.076 26.467 -8.244 548 HB3 LYS 72 HB3 LYS 72 6.381 25.141 -9.100 549 HG2 LYS 72 HG2 LYS 72 4.575 27.460 -8.316 550 HG3 LYS 72 HG3 LYS 72 5.803 27.771 -9.532 551 HD2 LYS 72 HD2 LYS 72 3.587 27.240 -10.499 552 HD3 LYS 72 HD3 LYS 72 4.890 26.216 -11.066 553 HE2 LYS 72 HE2 LYS 72 4.163 24.457 -9.407 554 HE3 LYS 72 HE3 LYS 72 2.763 25.489 -9.004 555 HZ1 LYS 72 HZ1 LYS 72 3.383 24.358 -11.680 556 HZ2 LYS 72 HZ2 LYS 72 2.145 25.359 -11.409 557 HZ3 LYS 72 HZ3 LYS 72 2.120 23.889 -10.757 558 H PHE 73 H PHE 73 7.867 24.644 -6.420 559 HA PHE 73 HA PHE 73 7.743 21.767 -6.658 560 HB2 PHE 73 HB2 PHE 73 9.880 22.943 -6.521 561 HB3 PHE 73 HB3 PHE 73 9.485 23.550 -4.934 562 HD1 PHE 73 HD2 PHE 73 9.468 20.066 -6.496 563 HD2 PHE 73 HD1 PHE 73 10.838 22.630 -3.313 564 HE1 PHE 73 HE2 PHE 73 10.639 18.163 -5.463 565 HE2 PHE 73 HE1 PHE 73 12.020 20.714 -2.283 566 HZ PHE 73 HZ PHE 73 11.915 18.467 -3.353 567 H ARG 74 H ARG 74 7.278 23.781 -3.752 568 HA ARG 74 HA ARG 74 6.772 21.642 -2.011 569 HB2 ARG 74 HB2 ARG 74 6.697 24.574 -1.936 570 HB3 ARG 74 HB3 ARG 74 5.305 23.936 -1.112 571 HG2 ARG 74 HG2 ARG 74 7.000 24.231 0.515 572 HG3 ARG 74 HG3 ARG 74 6.866 22.486 0.278 573 HD2 ARG 74 HD2 ARG 74 8.909 22.474 -1.087 574 HD3 ARG 74 HD3 ARG 74 8.953 24.246 -1.092 575 HE ARG 74 HE ARG 74 8.975 23.433 1.611 576 HH11 ARG 74 HH11 ARG 74 11.162 23.550 -1.063 577 HH12 ARG 74 HH12 ARG 74 12.469 23.870 -0.150 578 HH21 ARG 74 HH21 ARG 74 10.846 23.663 2.858 579 HH22 ARG 74 HH22 ARG 74 12.375 23.596 2.011 580 H LYS 75 H LYS 75 4.582 23.119 -4.233 581 HA LYS 75 HA LYS 75 2.121 22.142 -3.192 582 HB2 LYS 75 HB2 LYS 75 2.766 23.826 -5.214 583 HB3 LYS 75 HB3 LYS 75 2.702 22.350 -6.179 584 HG2 LYS 75 HG2 LYS 75 0.556 23.332 -6.348 585 HG3 LYS 75 HG3 LYS 75 0.346 21.974 -5.225 586 HD2 LYS 75 HD2 LYS 75 0.549 23.585 -3.296 587 HD3 LYS 75 HD3 LYS 75 0.842 24.885 -4.455 588 HE2 LYS 75 HE2 LYS 75 -1.464 25.023 -3.767 589 HE3 LYS 75 HE3 LYS 75 -1.416 24.491 -5.454 590 HZ1 LYS 75 HZ1 LYS 75 -1.748 22.207 -4.664 591 HZ2 LYS 75 HZ2 LYS 75 -2.974 23.168 -4.151 592 HZ3 LYS 75 HZ3 LYS 75 -1.792 22.707 -3.102 593 H LEU 76 H LEU 76 4.526 20.717 -5.208 594 HA LEU 76 HA LEU 76 3.012 18.177 -5.603 595 HB2 LEU 76 HB2 LEU 76 4.606 19.113 -7.370 596 HB3 LEU 76 HB3 LEU 76 5.935 18.867 -6.247 597 HG LEU 76 HG LEU 76 5.528 16.410 -6.262 598 HD11 LEU 76 HD11 LEU 76 4.103 15.445 -8.073 599 HD12 LEU 76 HD12 LEU 76 3.478 17.073 -8.424 600 HD13 LEU 76 HD13 LEU 76 3.154 16.296 -6.854 601 HD21 LEU 76 HD21 LEU 76 5.889 17.686 -9.005 602 HD22 LEU 76 HD22 LEU 76 6.365 16.034 -8.562 603 HD23 LEU 76 HD23 LEU 76 7.160 17.417 -7.793 604 H VAL 77 H VAL 77 5.874 19.247 -3.934 605 HA VAL 77 HA VAL 77 6.480 16.814 -2.566 606 HB VAL 77 HB VAL 77 6.778 19.659 -1.559 607 HG11 VAL 77 HG11 VAL 77 8.487 18.736 0.047 608 HG12 VAL 77 HG12 VAL 77 6.801 18.374 0.450 609 HG13 VAL 77 HG13 VAL 77 7.833 17.128 -0.295 610 HG21 VAL 77 HG21 VAL 77 8.849 17.718 -2.646 611 HG22 VAL 77 HG22 VAL 77 8.133 19.055 -3.566 612 HG23 VAL 77 HG23 VAL 77 9.131 19.395 -2.146 613 H THR 78 H THR 78 4.149 19.307 -1.588 614 HA THR 78 HA THR 78 3.382 17.939 0.789 615 HB THR 78 HB THR 78 1.716 19.886 -0.877 616 HG1 THR 78 HG1 THR 78 3.577 20.819 -0.225 617 HG21 THR 78 HG21 THR 78 0.274 18.761 0.802 618 HG22 THR 78 HG22 THR 78 0.602 20.429 1.298 619 HG23 THR 78 HG23 THR 78 1.479 19.093 2.069 620 H ALA 79 H ALA 79 2.267 17.526 -2.518 621 HA ALA 79 HA ALA 79 -0.006 15.924 -1.516 622 HB1 ALA 79 HB1 ALA 79 -0.558 15.640 -3.937 623 HB2 ALA 79 HB2 ALA 79 -0.285 17.357 -3.568 624 HB3 ALA 79 HB3 ALA 79 0.982 16.408 -4.379 625 H ILE 80 H ILE 80 3.148 15.412 -2.668 626 HA ILE 80 HA ILE 80 2.770 12.493 -3.086 627 HB ILE 80 HB ILE 80 5.270 14.204 -3.043 628 HG12 ILE 80 HG12 ILE 80 3.811 14.732 -4.972 629 HG13 ILE 80 HG13 ILE 80 5.329 13.991 -5.449 630 HG21 ILE 80 HG21 ILE 80 5.777 11.848 -2.463 631 HG22 ILE 80 HG22 ILE 80 4.889 11.281 -3.869 632 HG23 ILE 80 HG23 ILE 80 6.388 12.228 -4.074 633 HD11 ILE 80 HD11 ILE 80 3.405 13.221 -6.789 634 HD12 ILE 80 HD12 ILE 80 4.147 11.870 -5.928 635 HD13 ILE 80 HD13 ILE 80 2.624 12.585 -5.334 636 H LYS 81 H LYS 81 3.902 14.707 -0.574 637 HA LYS 81 HA LYS 81 4.993 12.653 1.194 638 HB2 LYS 81 HB2 LYS 81 5.427 15.163 1.245 639 HB3 LYS 81 HB3 LYS 81 3.827 15.409 1.912 640 HG2 LYS 81 HG2 LYS 81 4.668 15.167 3.968 641 HG3 LYS 81 HG3 LYS 81 5.045 13.486 3.615 642 HD2 LYS 81 HD2 LYS 81 7.012 14.628 4.461 643 HD3 LYS 81 HD3 LYS 81 7.285 14.149 2.787 644 HE2 LYS 81 HE2 LYS 81 6.736 16.473 2.050 645 HE3 LYS 81 HE3 LYS 81 6.545 16.936 3.754 646 HZ1 LYS 81 HZ1 LYS 81 8.806 17.440 2.938 647 HZ2 LYS 81 HZ2 LYS 81 9.023 15.968 2.393 648 HZ3 LYS 81 HZ3 LYS 81 8.936 16.177 4.015 649 H ALA 82 H ALA 82 1.963 14.341 0.945 650 HA ALA 82 HA ALA 82 0.598 13.038 3.161 651 HB1 ALA 82 HB1 ALA 82 -0.149 15.208 2.238 652 HB2 ALA 82 HB2 ALA 82 -0.546 14.427 0.689 653 HB3 ALA 82 HB3 ALA 82 -1.450 14.005 2.159 654 H ALA 83 H ALA 83 0.536 12.425 -0.386 655 HA ALA 83 HA ALA 83 -1.113 10.125 -0.229 656 HB1 ALA 83 HB1 ALA 83 -0.387 9.703 -2.531 657 HB2 ALA 83 HB2 ALA 83 -0.721 11.420 -2.303 658 HB3 ALA 83 HB3 ALA 83 0.965 10.843 -2.337 659 H LEU 84 H LEU 84 2.341 10.477 0.150 660 HA LEU 84 HA LEU 84 3.006 7.679 0.059 661 HB2 LEU 84 HB2 LEU 84 4.579 9.730 0.032 662 HB3 LEU 84 HB3 LEU 84 4.428 9.771 1.776 663 HG LEU 84 HG LEU 84 6.443 8.762 0.850 664 HD11 LEU 84 HD11 LEU 84 5.587 7.869 3.020 665 HD12 LEU 84 HD12 LEU 84 6.637 6.762 2.122 666 HD13 LEU 84 HD13 LEU 84 4.888 6.491 2.123 667 HD21 LEU 84 HD21 LEU 84 4.942 7.874 -1.180 668 HD22 LEU 84 HD22 LEU 84 5.003 6.369 -0.254 669 HD23 LEU 84 HD23 LEU 84 6.491 7.202 -0.792 670 H ALA 85 H ALA 85 2.377 9.800 2.811 671 HA ALA 85 HA ALA 85 2.359 7.685 4.764 672 HB1 ALA 85 HB1 ALA 85 0.994 10.420 4.852 673 HB2 ALA 85 HB2 ALA 85 1.333 9.387 6.258 674 HB3 ALA 85 HB3 ALA 85 2.674 10.088 5.329 675 H GLN 86 H GLN 86 0.002 8.492 2.507 676 HA GLN 86 HA GLN 86 -2.235 7.138 3.894 677 HB2 GLN 86 HB2 GLN 86 -2.686 9.133 2.559 678 HB3 GLN 86 HB3 GLN 86 -2.041 8.372 1.114 679 HG2 GLN 86 HG2 GLN 86 -4.394 7.162 2.607 680 HG3 GLN 86 HG3 GLN 86 -4.608 8.492 1.468 681 HE21 GLN 86 HE21 GLN 86 -4.496 5.088 1.666 682 HE22 GLN 86 HE22 GLN 86 -4.413 4.871 -0.088 683 H CYS 87 H CYS 87 -0.174 6.618 1.159 684 HA CYS 87 HA CYS 87 -1.145 3.985 0.473 685 HB2 CYS 87 HB2 CYS 87 0.310 5.806 -0.836 686 HB3 CYS 87 HB3 CYS 87 1.662 4.833 -0.228 687 HG CYS 87 HG CYS 87 -0.981 3.994 -2.040 688 H GLN 88 H GLN 88 1.338 5.115 2.710 689 HA GLN 88 HA GLN 88 2.651 2.613 3.147 690 HB2 GLN 88 HB2 GLN 88 3.388 4.906 3.944 691 HB3 GLN 88 HB3 GLN 88 2.206 4.764 5.268 692 HG2 GLN 88 HG2 GLN 88 3.354 2.677 6.018 693 HG3 GLN 88 HG3 GLN 88 4.504 2.842 4.673 694 HE21 GLN 88 HE21 GLN 88 5.263 5.628 4.911 695 HE22 GLN 88 HE22 GLN 88 5.997 5.678 6.533 Start of MODEL 15 1 H1 MET 1 H1 MET 1 0.995 1.939 0.909 2 H2 MET 1 H2 MET 1 2.251 1.413 1.796 3 H3 MET 1 H3 MET 1 1.049 0.366 1.406 4 HA MET 1 HA MET 1 3.062 0.015 0.097 5 HB2 MET 1 HB2 MET 1 2.144 -0.176 -2.053 6 HB3 MET 1 HB3 MET 1 0.928 -0.632 -0.874 7 HG2 MET 1 HG2 MET 1 -0.266 1.466 -1.209 8 HG3 MET 1 HG3 MET 1 1.022 2.052 -2.276 9 HE1 MET 1 HE1 MET 1 -2.284 -0.987 -3.333 10 HE2 MET 1 HE2 MET 1 -1.369 -1.104 -1.816 11 HE3 MET 1 HE3 MET 1 -2.405 0.310 -2.131 12 H ALA 2 H ALA 2 4.376 0.848 -1.805 13 HA ALA 2 HA ALA 2 5.138 3.601 -1.340 14 HB1 ALA 2 HB1 ALA 2 6.783 3.121 -3.142 15 HB2 ALA 2 HB2 ALA 2 6.808 1.871 -1.893 16 HB3 ALA 2 HB3 ALA 2 5.992 1.565 -3.444 17 H LEU 3 H LEU 3 5.171 5.238 -3.089 18 HA LEU 3 HA LEU 3 2.633 5.253 -4.548 19 HB2 LEU 3 HB2 LEU 3 4.057 7.120 -2.942 20 HB3 LEU 3 HB3 LEU 3 4.295 7.689 -4.569 21 HG LEU 3 HG LEU 3 2.420 8.871 -4.021 22 HD11 LEU 3 HD11 LEU 3 0.354 8.018 -4.846 23 HD12 LEU 3 HD12 LEU 3 0.828 6.341 -4.598 24 HD13 LEU 3 HD13 LEU 3 1.622 7.297 -5.868 25 HD21 LEU 3 HD21 LEU 3 0.678 8.129 -2.421 26 HD22 LEU 3 HD22 LEU 3 2.302 8.070 -1.725 27 HD23 LEU 3 HD23 LEU 3 1.513 6.568 -2.255 28 H ALA 4 H ALA 4 2.628 4.826 -6.610 29 HA ALA 4 HA ALA 4 4.998 4.840 -8.354 30 HB1 ALA 4 HB1 ALA 4 2.070 4.266 -8.949 31 HB2 ALA 4 HB2 ALA 4 3.441 4.008 -10.052 32 HB3 ALA 4 HB3 ALA 4 3.325 3.063 -8.555 33 H VAL 5 H VAL 5 5.806 6.736 -9.169 34 HA VAL 5 HA VAL 5 3.855 8.779 -10.124 35 HB VAL 5 HB VAL 5 6.640 9.401 -9.307 36 HG11 VAL 5 HG11 VAL 5 5.615 11.109 -10.694 37 HG12 VAL 5 HG12 VAL 5 4.206 11.170 -9.608 38 HG13 VAL 5 HG13 VAL 5 5.800 11.705 -9.049 39 HG21 VAL 5 HG21 VAL 5 5.904 10.284 -7.169 40 HG22 VAL 5 HG22 VAL 5 4.242 9.785 -7.492 41 HG23 VAL 5 HG23 VAL 5 5.513 8.569 -7.235 42 H ARG 6 H ARG 6 4.248 9.738 -12.002 43 HA ARG 6 HA ARG 6 6.372 8.781 -13.817 44 HB2 ARG 6 HB2 ARG 6 3.755 7.636 -13.798 45 HB3 ARG 6 HB3 ARG 6 3.786 8.727 -15.190 46 HG2 ARG 6 HG2 ARG 6 4.425 6.453 -15.835 47 HG3 ARG 6 HG3 ARG 6 5.749 7.598 -16.077 48 HD2 ARG 6 HD2 ARG 6 6.766 5.736 -15.243 49 HD3 ARG 6 HD3 ARG 6 6.738 6.793 -13.865 50 HE ARG 6 HE ARG 6 4.705 4.609 -14.171 51 HH11 ARG 6 HH11 ARG 6 7.166 5.919 -12.050 52 HH12 ARG 6 HH12 ARG 6 7.472 4.376 -11.287 53 HH21 ARG 6 HH21 ARG 6 4.809 2.816 -12.686 54 HH22 ARG 6 HH22 ARG 6 6.031 2.988 -11.412 55 H VAL 7 H VAL 7 6.950 10.034 -15.487 56 HA VAL 7 HA VAL 7 5.391 12.502 -16.019 57 HB VAL 7 HB VAL 7 8.409 12.570 -16.017 58 HG11 VAL 7 HG11 VAL 7 7.235 14.201 -17.487 59 HG12 VAL 7 HG12 VAL 7 6.258 14.737 -16.118 60 HG13 VAL 7 HG13 VAL 7 8.015 15.011 -16.133 61 HG21 VAL 7 HG21 VAL 7 8.256 13.996 -14.009 62 HG22 VAL 7 HG22 VAL 7 6.556 13.497 -13.822 63 HG23 VAL 7 HG23 VAL 7 7.866 12.298 -13.707 64 H VAL 8 H VAL 8 4.654 12.138 -17.889 65 HA VAL 8 HA VAL 8 6.237 10.984 -20.143 66 HB VAL 8 HB VAL 8 3.409 12.036 -19.984 67 HG11 VAL 8 HG11 VAL 8 3.143 11.361 -22.362 68 HG12 VAL 8 HG12 VAL 8 4.213 12.747 -22.162 69 HG13 VAL 8 HG13 VAL 8 4.900 11.134 -22.488 70 HG21 VAL 8 HG21 VAL 8 4.413 9.306 -20.905 71 HG22 VAL 8 HG22 VAL 8 3.916 9.645 -19.229 72 HG23 VAL 8 HG23 VAL 8 2.753 9.788 -20.557 73 H TYR 9 H TYR 9 7.274 12.234 -21.682 74 HA TYR 9 HA TYR 9 6.615 14.969 -22.189 75 HB2 TYR 9 HB2 TYR 9 7.986 15.300 -20.133 76 HB3 TYR 9 HB3 TYR 9 9.313 14.431 -20.895 77 HD1 TYR 9 HD2 TYR 9 7.128 17.133 -22.385 78 HD2 TYR 9 HD1 TYR 9 11.039 16.008 -20.971 79 HE1 TYR 9 HE2 TYR 9 8.016 19.308 -23.140 80 HE2 TYR 9 HE1 TYR 9 11.913 18.242 -21.633 81 HH TYR 9 HH TYR 9 9.939 20.519 -23.489 82 H SER 10 H SER 10 8.493 15.885 -23.794 83 HA SER 10 HA SER 10 9.136 13.902 -25.859 84 HB2 SER 10 HB2 SER 10 10.122 15.967 -26.947 85 HB3 SER 10 HB3 SER 10 8.380 16.062 -26.659 86 HG SER 10 HG SER 10 10.181 17.031 -24.698 87 H GLY 11 H GLY 11 11.178 13.370 -26.334 88 HA2 GLY 11 HA2 GLY 11 13.478 13.743 -24.575 89 HA3 GLY 11 HA3 GLY 11 13.505 13.043 -26.199 90 H ALA 12 H ALA 12 12.467 16.329 -25.286 91 HA ALA 12 HA ALA 12 13.864 17.517 -27.534 92 HB1 ALA 12 HB1 ALA 12 12.221 18.767 -25.294 93 HB2 ALA 12 HB2 ALA 12 12.729 19.575 -26.793 94 HB3 ALA 12 HB3 ALA 12 11.612 18.208 -26.874 95 H CYS 13 H CYS 13 15.852 16.538 -26.326 96 HA CYS 13 HA CYS 13 17.880 16.670 -25.379 97 HB2 CYS 13 HB2 CYS 13 17.545 19.491 -26.403 98 HB3 CYS 13 HB3 CYS 13 19.080 18.902 -25.711 99 HG CYS 13 HG CYS 13 19.205 18.752 -28.360 100 H GLY 14 H GLY 14 19.222 17.090 -23.655 101 HA2 GLY 14 HA2 GLY 14 19.658 17.325 -21.396 102 HA3 GLY 14 HA3 GLY 14 18.800 18.863 -21.512 103 H TYR 15 H TYR 15 16.669 16.254 -22.231 104 HA TYR 15 HA TYR 15 14.968 16.852 -20.123 105 HB2 TYR 15 HB2 TYR 15 13.593 15.132 -20.840 106 HB3 TYR 15 HB3 TYR 15 14.383 15.737 -22.290 107 HD1 TYR 15 HD2 TYR 15 16.239 14.331 -23.376 108 HD2 TYR 15 HD1 TYR 15 13.773 12.875 -20.131 109 HE1 TYR 15 HE2 TYR 15 16.964 11.992 -23.850 110 HE2 TYR 15 HE1 TYR 15 14.481 10.554 -20.639 111 HH TYR 15 HH TYR 15 15.572 9.206 -22.216 112 H LYS 16 H LYS 16 17.298 14.177 -20.197 113 HA LYS 16 HA LYS 16 16.659 12.937 -17.802 114 HB2 LYS 16 HB2 LYS 16 18.994 12.978 -19.552 115 HB3 LYS 16 HB3 LYS 16 19.519 12.855 -17.874 116 HG2 LYS 16 HG2 LYS 16 17.446 11.043 -19.176 117 HG3 LYS 16 HG3 LYS 16 19.165 10.659 -19.040 118 HD2 LYS 16 HD2 LYS 16 17.276 11.105 -16.684 119 HD3 LYS 16 HD3 LYS 16 17.750 9.540 -17.309 120 HE2 LYS 16 HE2 LYS 16 19.682 11.600 -16.143 121 HE3 LYS 16 HE3 LYS 16 18.973 10.255 -15.241 122 HZ1 LYS 16 HZ1 LYS 16 20.732 9.933 -17.617 123 HZ2 LYS 16 HZ2 LYS 16 20.071 8.712 -16.744 124 HZ3 LYS 16 HZ3 LYS 16 21.180 9.702 -16.054 125 HA PRO 17 HA PRO 17 19.134 15.645 -14.838 126 HB2 PRO 17 HB2 PRO 17 20.061 18.136 -15.603 127 HB3 PRO 17 HB3 PRO 17 21.026 16.627 -15.623 128 HG2 PRO 17 HG2 PRO 17 19.546 17.931 -17.917 129 HG3 PRO 17 HG3 PRO 17 21.215 17.278 -17.904 130 HD2 PRO 17 HD2 PRO 17 19.183 15.797 -18.908 131 HD3 PRO 17 HD3 PRO 17 20.449 15.039 -17.906 132 H LYS 18 H LYS 18 17.169 17.451 -17.247 133 HA LYS 18 HA LYS 18 15.826 19.236 -15.448 134 HB2 LYS 18 HB2 LYS 18 14.846 17.917 -17.975 135 HB3 LYS 18 HB3 LYS 18 13.975 19.196 -17.128 136 HG2 LYS 18 HG2 LYS 18 15.649 20.831 -17.640 137 HG3 LYS 18 HG3 LYS 18 16.789 19.608 -18.213 138 HD2 LYS 18 HD2 LYS 18 15.210 19.020 -20.061 139 HD3 LYS 18 HD3 LYS 18 14.119 20.308 -19.525 140 HE2 LYS 18 HE2 LYS 18 15.779 22.002 -20.052 141 HE3 LYS 18 HE3 LYS 18 17.015 20.775 -20.355 142 HZ1 LYS 18 HZ1 LYS 18 15.814 20.049 -22.315 143 HZ2 LYS 18 HZ2 LYS 18 16.004 21.660 -22.424 144 HZ3 LYS 18 HZ3 LYS 18 14.549 21.044 -21.997 145 H TYR 19 H TYR 19 15.014 15.912 -16.398 146 HA TYR 19 HA TYR 19 12.687 15.540 -14.791 147 HB2 TYR 19 HB2 TYR 19 14.669 13.799 -16.244 148 HB3 TYR 19 HB3 TYR 19 13.775 13.059 -14.928 149 HD1 TYR 19 HD1 TYR 19 12.707 15.555 -17.572 150 HD2 TYR 19 HD2 TYR 19 12.159 11.680 -15.748 151 HE1 TYR 19 HE1 TYR 19 10.647 15.169 -18.945 152 HE2 TYR 19 HE2 TYR 19 10.145 11.321 -17.161 153 HH TYR 19 HH TYR 19 8.675 12.225 -18.558 154 H LEU 20 H LEU 20 16.072 14.500 -14.176 155 HA LEU 20 HA LEU 20 15.692 13.508 -11.573 156 HB2 LEU 20 HB2 LEU 20 18.002 14.514 -13.169 157 HB3 LEU 20 HB3 LEU 20 18.235 14.376 -11.435 158 HG LEU 20 HG LEU 20 17.577 12.040 -11.454 159 HD11 LEU 20 HD11 LEU 20 17.511 12.172 -14.473 160 HD12 LEU 20 HD12 LEU 20 16.110 11.905 -13.409 161 HD13 LEU 20 HD13 LEU 20 17.404 10.710 -13.462 162 HD21 LEU 20 HD21 LEU 20 19.950 12.698 -11.731 163 HD22 LEU 20 HD22 LEU 20 19.760 12.689 -13.502 164 HD23 LEU 20 HD23 LEU 20 19.613 11.182 -12.539 165 H GLN 21 H GLN 21 16.188 16.908 -12.507 166 HA GLN 21 HA GLN 21 16.818 17.674 -9.846 167 HB2 GLN 21 HB2 GLN 21 16.871 18.920 -12.290 168 HB3 GLN 21 HB3 GLN 21 15.338 19.594 -11.747 169 HG2 GLN 21 HG2 GLN 21 18.032 19.826 -10.342 170 HG3 GLN 21 HG3 GLN 21 17.350 21.048 -11.423 171 HE21 GLN 21 HE21 GLN 21 14.957 21.844 -10.680 172 HE22 GLN 21 HE22 GLN 21 14.875 22.008 -8.920 173 H LEU 22 H LEU 22 13.741 17.055 -11.327 174 HA LEU 22 HA LEU 22 12.206 17.677 -8.862 175 HB2 LEU 22 HB2 LEU 22 11.171 18.037 -11.046 176 HB3 LEU 22 HB3 LEU 22 11.389 16.345 -11.494 177 HG LEU 22 HG LEU 22 9.774 17.128 -9.038 178 HD11 LEU 22 HD11 LEU 22 8.858 18.416 -10.903 179 HD12 LEU 22 HD12 LEU 22 7.753 17.104 -10.474 180 HD13 LEU 22 HD13 LEU 22 8.786 16.953 -11.911 181 HD21 LEU 22 HD21 LEU 22 9.659 14.724 -10.924 182 HD22 LEU 22 HD22 LEU 22 8.496 15.047 -9.617 183 HD23 LEU 22 HD23 LEU 22 10.168 14.710 -9.217 184 H LYS 23 H LYS 23 13.170 14.807 -10.777 185 HA LYS 23 HA LYS 23 11.878 12.859 -9.140 186 HB2 LYS 23 HB2 LYS 23 13.157 12.721 -11.574 187 HB3 LYS 23 HB3 LYS 23 14.444 12.117 -10.541 188 HG2 LYS 23 HG2 LYS 23 11.725 10.970 -10.320 189 HG3 LYS 23 HG3 LYS 23 12.707 10.544 -11.731 190 HD2 LYS 23 HD2 LYS 23 13.600 10.163 -8.838 191 HD3 LYS 23 HD3 LYS 23 12.890 8.917 -9.885 192 HE2 LYS 23 HE2 LYS 23 14.678 9.065 -11.432 193 HE3 LYS 23 HE3 LYS 23 15.451 10.374 -10.529 194 HZ1 LYS 23 HZ1 LYS 23 16.014 9.111 -8.817 195 HZ2 LYS 23 HZ2 LYS 23 16.194 7.955 -9.922 196 HZ3 LYS 23 HZ3 LYS 23 14.843 7.980 -8.950 197 H GLU 24 H GLU 24 15.308 13.635 -9.174 198 HA GLU 24 HA GLU 24 16.099 12.036 -6.965 199 HB2 GLU 24 HB2 GLU 24 17.343 13.805 -8.906 200 HB3 GLU 24 HB3 GLU 24 17.835 14.365 -7.340 201 HG2 GLU 24 HG2 GLU 24 19.435 12.727 -8.082 202 HG3 GLU 24 HG3 GLU 24 18.485 11.893 -6.842 203 H LYS 25 H LYS 25 14.489 15.104 -6.924 204 HA LYS 25 HA LYS 25 15.076 15.649 -4.074 205 HB2 LYS 25 HB2 LYS 25 13.889 17.139 -6.227 206 HB3 LYS 25 HB3 LYS 25 12.582 16.790 -5.118 207 HG2 LYS 25 HG2 LYS 25 13.514 18.869 -4.449 208 HG3 LYS 25 HG3 LYS 25 13.938 17.680 -3.206 209 HD2 LYS 25 HD2 LYS 25 15.769 19.258 -3.764 210 HD3 LYS 25 HD3 LYS 25 16.240 17.569 -4.076 211 HE2 LYS 25 HE2 LYS 25 15.906 17.800 -6.444 212 HE3 LYS 25 HE3 LYS 25 15.001 19.303 -6.245 213 HZ1 LYS 25 HZ1 LYS 25 17.034 20.362 -5.496 214 HZ2 LYS 25 HZ2 LYS 25 17.145 19.791 -7.014 215 HZ3 LYS 25 HZ3 LYS 25 17.909 18.976 -5.788 216 H LEU 26 H LEU 26 12.313 14.461 -5.924 217 HA LEU 26 HA LEU 26 10.558 13.977 -3.779 218 HB2 LEU 26 HB2 LEU 26 10.904 13.341 -6.691 219 HB3 LEU 26 HB3 LEU 26 9.839 12.292 -5.802 220 HG LEU 26 HG LEU 26 8.730 13.976 -6.968 221 HD11 LEU 26 HD11 LEU 26 7.163 14.669 -5.202 222 HD12 LEU 26 HD12 LEU 26 8.385 14.315 -3.971 223 HD13 LEU 26 HD13 LEU 26 7.724 12.993 -4.961 224 HD21 LEU 26 HD21 LEU 26 8.569 16.328 -6.223 225 HD22 LEU 26 HD22 LEU 26 10.208 15.931 -6.780 226 HD23 LEU 26 HD23 LEU 26 9.863 16.035 -5.043 227 H GLU 27 H GLU 27 12.638 11.713 -5.479 228 HA GLU 27 HA GLU 27 12.318 9.503 -3.670 229 HB2 GLU 27 HB2 GLU 27 14.159 10.303 -5.887 230 HB3 GLU 27 HB3 GLU 27 14.845 9.199 -4.709 231 HG2 GLU 27 HG2 GLU 27 13.030 7.611 -4.996 232 HG3 GLU 27 HG3 GLU 27 12.168 8.714 -6.074 233 H HIS 28 H HIS 28 14.661 12.244 -3.432 234 HA HIS 28 HA HIS 28 16.033 11.202 -1.125 235 HB2 HIS 28 HB2 HIS 28 16.984 12.976 -2.424 236 HB3 HIS 28 HB3 HIS 28 15.584 14.004 -2.203 237 HD1 HIS 28 HD1 HIS 28 16.726 12.539 1.053 238 HD2 HIS 28 HD2 HIS 28 17.087 15.966 -1.303 239 HE1 HIS 28 HE1 HIS 28 17.876 14.298 2.524 240 H GLU 29 H GLU 29 13.120 13.161 -1.557 241 HA GLU 29 HA GLU 29 12.576 13.796 1.156 242 HB2 GLU 29 HB2 GLU 29 11.162 13.779 -1.493 243 HB3 GLU 29 HB3 GLU 29 10.245 14.113 -0.038 244 HG2 GLU 29 HG2 GLU 29 11.475 16.104 0.423 245 HG3 GLU 29 HG3 GLU 29 12.841 15.612 -0.570 246 H PHE 30 H PHE 30 11.326 11.300 -1.015 247 HA PHE 30 HA PHE 30 10.123 9.796 1.286 248 HB2 PHE 30 HB2 PHE 30 9.097 9.984 -1.551 249 HB3 PHE 30 HB3 PHE 30 8.259 9.313 -0.152 250 HD1 PHE 30 HD2 PHE 30 8.093 11.117 1.908 251 HD2 PHE 30 HD1 PHE 30 8.518 12.143 -2.254 252 HE1 PHE 30 HE2 PHE 30 7.330 13.416 2.387 253 HE2 PHE 30 HE1 PHE 30 7.717 14.435 -1.774 254 HZ PHE 30 HZ PHE 30 7.126 15.085 0.526 255 HA PRO 31 HA PRO 31 13.177 7.339 -1.352 256 HB2 PRO 31 HB2 PRO 31 14.830 6.284 0.586 257 HB3 PRO 31 HB3 PRO 31 15.069 7.862 -0.222 258 HG2 PRO 31 HG2 PRO 31 13.747 7.319 2.457 259 HG3 PRO 31 HG3 PRO 31 14.959 8.583 2.056 260 HD2 PRO 31 HD2 PRO 31 12.318 9.178 2.159 261 HD3 PRO 31 HD3 PRO 31 13.360 9.865 0.875 262 H GLY 32 H GLY 32 12.750 5.470 -2.018 263 HA2 GLY 32 HA2 GLY 32 11.683 3.447 -2.404 264 HA3 GLY 32 HA3 GLY 32 12.128 3.025 -0.748 265 H CYS 33 H CYS 33 10.244 5.505 -0.041 266 HA CYS 33 HA CYS 33 7.739 4.076 0.117 267 HB2 CYS 33 HB2 CYS 33 8.213 6.996 0.693 268 HB3 CYS 33 HB3 CYS 33 6.937 5.931 1.299 269 HG CYS 33 HG CYS 33 10.181 5.449 1.909 270 H LEU 34 H LEU 34 9.398 5.805 -2.277 271 HA LEU 34 HA LEU 34 6.978 6.085 -3.932 272 HB2 LEU 34 HB2 LEU 34 9.049 8.116 -3.246 273 HB3 LEU 34 HB3 LEU 34 8.915 7.766 -4.986 274 HG LEU 34 HG LEU 34 6.515 8.072 -4.852 275 HD11 LEU 34 HD11 LEU 34 5.462 9.370 -3.094 276 HD12 LEU 34 HD12 LEU 34 6.985 9.484 -2.206 277 HD13 LEU 34 HD13 LEU 34 6.184 7.918 -2.390 278 HD21 LEU 34 HD21 LEU 34 6.630 10.536 -4.928 279 HD22 LEU 34 HD22 LEU 34 8.061 9.822 -5.688 280 HD23 LEU 34 HD23 LEU 34 8.184 10.486 -4.050 281 H ASP 35 H ASP 35 7.190 5.712 -5.942 282 HA ASP 35 HA ASP 35 9.680 4.721 -7.260 283 HB2 ASP 35 HB2 ASP 35 7.942 2.968 -7.231 284 HB3 ASP 35 HB3 ASP 35 6.764 4.197 -7.629 285 H ILE 36 H ILE 36 10.111 5.947 -9.022 286 HA ILE 36 HA ILE 36 8.140 7.733 -10.164 287 HB ILE 36 HB ILE 36 10.819 8.824 -9.656 288 HG12 ILE 36 HG12 ILE 36 8.523 9.774 -7.954 289 HG13 ILE 36 HG13 ILE 36 9.706 8.572 -7.418 290 HG21 ILE 36 HG21 ILE 36 9.758 9.893 -11.521 291 HG22 ILE 36 HG22 ILE 36 8.191 9.961 -10.712 292 HG23 ILE 36 HG23 ILE 36 9.487 11.040 -10.204 293 HD11 ILE 36 HD11 ILE 36 11.549 10.244 -8.054 294 HD12 ILE 36 HD12 ILE 36 10.266 11.456 -8.096 295 HD13 ILE 36 HD13 ILE 36 10.605 10.519 -6.608 296 H CYS 37 H CYS 37 8.300 7.515 -12.144 297 HA CYS 37 HA CYS 37 10.860 7.058 -13.632 298 HB2 CYS 37 HB2 CYS 37 9.813 4.797 -13.081 299 HB3 CYS 37 HB3 CYS 37 8.623 5.160 -14.347 300 HG CYS 37 HG CYS 37 10.529 3.563 -15.277 301 H GLY 38 H GLY 38 10.252 6.853 -16.143 302 HA2 GLY 38 HA2 GLY 38 8.393 9.033 -16.897 303 HA3 GLY 38 HA3 GLY 38 10.127 9.296 -17.187 304 H GLU 39 H GLU 39 8.009 9.254 -19.097 305 HA GLU 39 HA GLU 39 8.594 6.850 -20.759 306 HB2 GLU 39 HB2 GLU 39 6.852 6.463 -19.101 307 HB3 GLU 39 HB3 GLU 39 5.817 7.689 -19.847 308 HG2 GLU 39 HG2 GLU 39 5.808 6.402 -21.942 309 HG3 GLU 39 HG3 GLU 39 6.959 5.236 -21.282 310 H GLY 40 H GLY 40 9.469 7.973 -22.256 311 HA2 GLY 40 HA2 GLY 40 8.870 10.660 -22.857 312 HA3 GLY 40 HA3 GLY 40 10.009 9.703 -23.785 313 H THR 41 H THR 41 6.473 9.170 -23.644 314 HA THR 41 HA THR 41 6.321 9.711 -26.588 315 HB THR 41 HB THR 41 6.795 7.516 -26.356 316 HG1 THR 41 HG1 THR 41 4.031 7.651 -26.791 317 HG21 THR 41 HG21 THR 41 5.326 5.799 -25.342 318 HG22 THR 41 HG22 THR 41 4.384 7.078 -24.555 319 HG23 THR 41 HG23 THR 41 6.097 6.845 -24.147 320 HA PRO 42 HA PRO 42 2.655 11.769 -24.661 321 HB2 PRO 42 HB2 PRO 42 3.028 14.281 -25.687 322 HB3 PRO 42 HB3 PRO 42 3.882 13.672 -24.244 323 HG2 PRO 42 HG2 PRO 42 4.894 13.870 -27.077 324 HG3 PRO 42 HG3 PRO 42 5.749 14.247 -25.544 325 HD2 PRO 42 HD2 PRO 42 5.990 11.871 -26.970 326 HD3 PRO 42 HD3 PRO 42 6.329 11.997 -25.227 327 H GLN 43 H GLN 43 3.252 10.491 -27.519 328 HA GLN 43 HA GLN 43 2.302 10.094 -29.505 329 HB2 GLN 43 HB2 GLN 43 -0.216 11.340 -28.361 330 HB3 GLN 43 HB3 GLN 43 -0.102 10.383 -29.833 331 HG2 GLN 43 HG2 GLN 43 0.615 8.407 -28.559 332 HG3 GLN 43 HG3 GLN 43 0.584 9.329 -27.050 333 HE21 GLN 43 HE21 GLN 43 -1.588 10.205 -26.318 334 HE22 GLN 43 HE22 GLN 43 -2.993 9.269 -26.887 335 H VAL 44 H VAL 44 1.703 13.466 -28.512 336 HA VAL 44 HA VAL 44 2.543 14.350 -31.229 337 HB VAL 44 HB VAL 44 0.132 15.551 -29.810 338 HG11 VAL 44 HG11 VAL 44 -0.284 16.587 -32.053 339 HG12 VAL 44 HG12 VAL 44 1.210 17.146 -31.324 340 HG13 VAL 44 HG13 VAL 44 1.261 15.930 -32.625 341 HG21 VAL 44 HG21 VAL 44 -0.541 13.319 -30.581 342 HG22 VAL 44 HG22 VAL 44 -1.247 14.540 -31.629 343 HG23 VAL 44 HG23 VAL 44 0.174 13.625 -32.178 344 H THR 45 H THR 45 3.525 16.332 -31.306 345 HA THR 45 HA THR 45 5.038 17.888 -30.736 346 HB THR 45 HB THR 45 2.877 18.643 -28.753 347 HG1 THR 45 HG1 THR 45 2.367 19.995 -30.608 348 HG21 THR 45 HG21 THR 45 5.003 20.341 -30.147 349 HG22 THR 45 HG22 THR 45 4.950 19.994 -28.405 350 HG23 THR 45 HG23 THR 45 3.668 20.956 -29.149 351 H GLY 46 H GLY 46 4.004 17.243 -27.353 352 HA2 GLY 46 HA2 GLY 46 6.321 16.283 -26.206 353 HA3 GLY 46 HA3 GLY 46 6.755 17.967 -26.519 354 H PHE 47 H PHE 47 3.847 16.310 -25.175 355 HA PHE 47 HA PHE 47 3.418 18.407 -23.203 356 HB2 PHE 47 HB2 PHE 47 2.095 15.698 -23.427 357 HB3 PHE 47 HB3 PHE 47 1.481 17.136 -22.602 358 HD1 PHE 47 HD2 PHE 47 1.778 19.321 -24.549 359 HD2 PHE 47 HD1 PHE 47 0.702 15.188 -25.212 360 HE1 PHE 47 HE2 PHE 47 0.604 19.956 -26.631 361 HE2 PHE 47 HE1 PHE 47 -0.459 15.833 -27.299 362 HZ PHE 47 HZ PHE 47 -0.519 18.224 -28.010 363 H PHE 48 H PHE 48 4.760 18.591 -21.562 364 HA PHE 48 HA PHE 48 5.862 16.439 -19.931 365 HB2 PHE 48 HB2 PHE 48 6.885 18.754 -20.270 366 HB3 PHE 48 HB3 PHE 48 5.616 19.361 -19.216 367 HD1 PHE 48 HD2 PHE 48 5.535 18.703 -16.789 368 HD2 PHE 48 HD1 PHE 48 8.834 17.698 -19.360 369 HE1 PHE 48 HE2 PHE 48 6.990 18.339 -14.798 370 HE2 PHE 48 HE1 PHE 48 10.272 17.321 -17.382 371 HZ PHE 48 HZ PHE 48 9.354 17.648 -15.098 372 H GLU 49 H GLU 49 4.180 15.166 -19.111 373 HA GLU 49 HA GLU 49 2.004 16.491 -17.590 374 HB2 GLU 49 HB2 GLU 49 2.257 13.944 -19.267 375 HB3 GLU 49 HB3 GLU 49 0.881 14.322 -18.232 376 HG2 GLU 49 HG2 GLU 49 0.699 16.536 -19.497 377 HG3 GLU 49 HG3 GLU 49 1.886 15.904 -20.620 378 H VAL 50 H VAL 50 2.062 16.127 -15.362 379 HA VAL 50 HA VAL 50 3.797 13.828 -14.443 380 HB VAL 50 HB VAL 50 2.995 16.252 -12.811 381 HG11 VAL 50 HG11 VAL 50 4.930 13.996 -12.206 382 HG12 VAL 50 HG12 VAL 50 4.772 15.494 -11.261 383 HG13 VAL 50 HG13 VAL 50 3.415 14.374 -11.360 384 HG21 VAL 50 HG21 VAL 50 5.285 17.044 -13.036 385 HG22 VAL 50 HG22 VAL 50 5.730 15.628 -14.004 386 HG23 VAL 50 HG23 VAL 50 4.623 16.834 -14.667 387 H THR 51 H THR 51 2.801 12.143 -13.596 388 HA THR 51 HA THR 51 0.066 12.418 -12.405 389 HB THR 51 HB THR 51 1.021 9.904 -13.754 390 HG1 THR 51 HG1 THR 51 1.059 11.582 -15.340 391 HG21 THR 51 HG21 THR 51 -1.772 10.888 -13.463 392 HG22 THR 51 HG22 THR 51 -0.940 9.659 -12.443 393 HG23 THR 51 HG23 THR 51 -1.222 9.367 -14.164 394 H VAL 52 H VAL 52 -0.320 11.251 -10.530 395 HA VAL 52 HA VAL 52 1.692 9.282 -9.576 396 HB VAL 52 HB VAL 52 2.191 11.293 -8.406 397 HG11 VAL 52 HG11 VAL 52 -0.690 11.386 -7.406 398 HG12 VAL 52 HG12 VAL 52 0.637 12.438 -6.882 399 HG13 VAL 52 HG13 VAL 52 0.051 12.522 -8.548 400 HG21 VAL 52 HG21 VAL 52 2.190 9.079 -7.183 401 HG22 VAL 52 HG22 VAL 52 2.007 10.480 -6.113 402 HG23 VAL 52 HG23 VAL 52 0.594 9.505 -6.536 403 H ALA 53 H ALA 53 0.846 7.448 -8.818 404 HA ALA 53 HA ALA 53 -0.680 5.743 -8.823 405 HB1 ALA 53 HB1 ALA 53 -0.861 6.641 -6.563 406 HB2 ALA 53 HB2 ALA 53 -2.191 7.709 -7.070 407 HB3 ALA 53 HB3 ALA 53 -2.398 5.944 -7.094 408 H GLY 54 H GLY 54 -1.060 7.462 -11.168 409 HA2 GLY 54 HA2 GLY 54 -2.529 7.343 -13.020 410 HA3 GLY 54 HA3 GLY 54 -3.763 6.614 -11.988 411 H LYS 55 H LYS 55 -2.299 9.635 -10.957 412 HA LYS 55 HA LYS 55 -4.753 11.175 -11.668 413 HB2 LYS 55 HB2 LYS 55 -3.366 11.250 -9.043 414 HB3 LYS 55 HB3 LYS 55 -4.860 12.092 -9.488 415 HG2 LYS 55 HG2 LYS 55 -5.724 9.662 -9.982 416 HG3 LYS 55 HG3 LYS 55 -4.385 9.130 -8.959 417 HD2 LYS 55 HD2 LYS 55 -6.644 11.000 -8.124 418 HD3 LYS 55 HD3 LYS 55 -6.477 9.284 -7.697 419 HE2 LYS 55 HE2 LYS 55 -4.260 9.827 -6.620 420 HE3 LYS 55 HE3 LYS 55 -4.573 11.540 -6.927 421 HZ1 LYS 55 HZ1 LYS 55 -5.265 10.943 -4.691 422 HZ2 LYS 55 HZ2 LYS 55 -6.253 9.755 -5.247 423 HZ3 LYS 55 HZ3 LYS 55 -6.604 11.326 -5.572 424 H LEU 56 H LEU 56 -4.081 12.720 -13.022 425 HA LEU 56 HA LEU 56 -1.370 13.735 -13.095 426 HB2 LEU 56 HB2 LEU 56 -2.648 13.450 -15.041 427 HB3 LEU 56 HB3 LEU 56 -3.894 14.604 -14.529 428 HG LEU 56 HG LEU 56 -1.034 15.559 -14.655 429 HD11 LEU 56 HD11 LEU 56 -1.272 14.177 -16.706 430 HD12 LEU 56 HD12 LEU 56 -1.064 15.880 -17.055 431 HD13 LEU 56 HD13 LEU 56 -2.682 15.142 -17.181 432 HD21 LEU 56 HD21 LEU 56 -2.077 17.615 -15.446 433 HD22 LEU 56 HD22 LEU 56 -2.952 17.058 -14.012 434 HD23 LEU 56 HD23 LEU 56 -3.649 16.797 -15.620 435 H VAL 57 H VAL 57 -0.497 15.358 -12.309 436 HA VAL 57 HA VAL 57 -2.011 17.272 -10.519 437 HB VAL 57 HB VAL 57 0.906 16.424 -10.282 438 HG11 VAL 57 HG11 VAL 57 0.571 18.628 -9.305 439 HG12 VAL 57 HG12 VAL 57 -0.904 18.083 -8.472 440 HG13 VAL 57 HG13 VAL 57 0.685 17.455 -7.992 441 HG21 VAL 57 HG21 VAL 57 -1.537 15.527 -8.690 442 HG22 VAL 57 HG22 VAL 57 -0.507 14.514 -9.720 443 HG23 VAL 57 HG23 VAL 57 0.154 15.200 -8.234 444 H HIS 58 H HIS 58 0.201 16.928 -13.196 445 HA HIS 58 HA HIS 58 0.426 19.893 -13.477 446 HB2 HIS 58 HB2 HIS 58 2.333 18.510 -12.195 447 HB3 HIS 58 HB3 HIS 58 2.755 18.072 -13.863 448 HD1 HIS 58 HD1 HIS 58 1.958 21.648 -12.491 449 HD2 HIS 58 HD2 HIS 58 4.869 19.240 -14.345 450 HE1 HIS 58 HE1 HIS 58 4.038 23.099 -12.744 451 H SER 59 H SER 59 0.771 20.594 -15.536 452 HA SER 59 HA SER 59 0.977 18.744 -17.820 453 HB2 SER 59 HB2 SER 59 -1.552 19.643 -16.649 454 HB3 SER 59 HB3 SER 59 -1.417 20.289 -18.272 455 HG SER 59 HG SER 59 -1.079 17.571 -17.539 456 H LYS 60 H LYS 60 2.767 19.983 -18.674 457 HA LYS 60 HA LYS 60 2.598 22.798 -19.240 458 HB2 LYS 60 HB2 LYS 60 4.049 20.434 -20.436 459 HB3 LYS 60 HB3 LYS 60 4.072 21.963 -21.300 460 HG2 LYS 60 HG2 LYS 60 4.819 21.862 -18.367 461 HG3 LYS 60 HG3 LYS 60 5.982 21.467 -19.655 462 HD2 LYS 60 HD2 LYS 60 5.543 23.741 -20.670 463 HD3 LYS 60 HD3 LYS 60 4.612 24.140 -19.191 464 HE2 LYS 60 HE2 LYS 60 6.570 23.424 -17.819 465 HE3 LYS 60 HE3 LYS 60 7.447 23.033 -19.273 466 HZ1 LYS 60 HZ1 LYS 60 7.495 25.394 -19.841 467 HZ2 LYS 60 HZ2 LYS 60 8.059 25.176 -18.314 468 HZ3 LYS 60 HZ3 LYS 60 6.561 25.778 -18.532 469 H LYS 61 H LYS 61 0.873 20.196 -20.738 470 HA LYS 61 HA LYS 61 0.064 21.602 -23.158 471 HB2 LYS 61 HB2 LYS 61 -1.488 19.833 -23.504 472 HB3 LYS 61 HB3 LYS 61 -0.034 19.118 -22.790 473 HG2 LYS 61 HG2 LYS 61 -1.351 19.489 -20.515 474 HG3 LYS 61 HG3 LYS 61 -2.776 19.521 -21.556 475 HD2 LYS 61 HD2 LYS 61 -0.686 17.317 -21.484 476 HD3 LYS 61 HD3 LYS 61 -2.167 17.294 -20.528 477 HE2 LYS 61 HE2 LYS 61 -3.529 17.263 -22.566 478 HE3 LYS 61 HE3 LYS 61 -2.061 17.303 -23.573 479 HZ1 LYS 61 HZ1 LYS 61 -2.394 15.198 -21.522 480 HZ2 LYS 61 HZ2 LYS 61 -1.402 15.186 -22.701 481 HZ3 LYS 61 HZ3 LYS 61 -3.005 14.969 -23.068 482 H ARG 62 H ARG 62 -1.132 21.807 -19.828 483 HA ARG 62 HA ARG 62 -3.365 23.527 -20.699 484 HB2 ARG 62 HB2 ARG 62 -4.406 22.865 -18.856 485 HB3 ARG 62 HB3 ARG 62 -3.229 21.553 -18.791 486 HG2 ARG 62 HG2 ARG 62 -1.840 22.871 -17.244 487 HG3 ARG 62 HG3 ARG 62 -3.046 24.177 -17.241 488 HD2 ARG 62 HD2 ARG 62 -4.679 22.823 -16.185 489 HD3 ARG 62 HD3 ARG 62 -3.718 21.341 -16.427 490 HE ARG 62 HE ARG 62 -1.947 22.809 -15.112 491 HH11 ARG 62 HH11 ARG 62 -5.219 22.057 -14.124 492 HH12 ARG 62 HH12 ARG 62 -4.711 21.661 -12.495 493 HH21 ARG 62 HH21 ARG 62 -1.392 22.287 -13.063 494 HH22 ARG 62 HH22 ARG 62 -2.564 21.716 -11.932 495 H GLY 63 H GLY 63 -0.211 23.770 -19.254 496 HA2 GLY 63 HA2 GLY 63 1.011 25.738 -19.127 497 HA3 GLY 63 HA3 GLY 63 -0.453 26.749 -19.250 498 H ASP 64 H ASP 64 0.453 23.991 -17.071 499 HA ASP 64 HA ASP 64 0.239 25.136 -14.542 500 HB2 ASP 64 HB2 ASP 64 1.669 22.975 -16.111 501 HB3 ASP 64 HB3 ASP 64 2.356 23.410 -14.591 502 H GLY 65 H GLY 65 2.916 25.047 -16.867 503 HA2 GLY 65 HA2 GLY 65 4.910 26.618 -16.611 504 HA3 GLY 65 HA3 GLY 65 4.680 26.290 -14.875 505 H TYR 66 H TYR 66 6.956 25.515 -15.394 506 HA TYR 66 HA TYR 66 6.765 22.565 -15.245 507 HB2 TYR 66 HB2 TYR 66 9.131 24.475 -14.954 508 HB3 TYR 66 HB3 TYR 66 9.161 22.764 -14.621 509 HD1 TYR 66 HD2 TYR 66 8.332 21.168 -16.626 510 HD2 TYR 66 HD1 TYR 66 10.089 25.088 -17.000 511 HE1 TYR 66 HE2 TYR 66 9.146 20.569 -18.893 512 HE2 TYR 66 HE1 TYR 66 10.882 24.490 -19.313 513 HH TYR 66 HH TYR 66 10.374 21.282 -20.773 514 H VAL 67 H VAL 67 8.335 22.455 -12.927 515 HA VAL 67 HA VAL 67 6.899 24.088 -10.876 516 HB VAL 67 HB VAL 67 8.455 23.212 -9.300 517 HG11 VAL 67 HG11 VAL 67 6.154 22.417 -9.433 518 HG12 VAL 67 HG12 VAL 67 6.557 21.299 -10.748 519 HG13 VAL 67 HG13 VAL 67 7.175 21.000 -9.117 520 HG21 VAL 67 HG21 VAL 67 9.011 21.045 -11.436 521 HG22 VAL 67 HG22 VAL 67 10.213 22.207 -10.839 522 HG23 VAL 67 HG23 VAL 67 9.555 20.987 -9.754 523 H ASP 68 H ASP 68 7.332 25.873 -11.823 524 HA ASP 68 HA ASP 68 9.788 27.036 -12.639 525 HB2 ASP 68 HB2 ASP 68 7.158 28.233 -11.888 526 HB3 ASP 68 HB3 ASP 68 8.418 29.048 -12.781 527 H THR 69 H THR 69 8.416 26.794 -9.482 528 HA THR 69 HA THR 69 10.313 28.770 -8.323 529 HB THR 69 HB THR 69 7.587 29.162 -7.328 530 HG1 THR 69 HG1 THR 69 8.335 30.127 -9.881 531 HG21 THR 69 HG21 THR 69 9.756 31.104 -8.217 532 HG22 THR 69 HG22 THR 69 9.465 30.543 -6.555 533 HG23 THR 69 HG23 THR 69 8.256 31.543 -7.376 534 H GLU 70 H GLU 70 10.341 28.749 -6.062 535 HA GLU 70 HA GLU 70 10.368 26.227 -4.786 536 HB2 GLU 70 HB2 GLU 70 11.119 28.762 -4.105 537 HB3 GLU 70 HB3 GLU 70 9.700 28.668 -3.107 538 HG2 GLU 70 HG2 GLU 70 11.890 26.547 -3.030 539 HG3 GLU 70 HG3 GLU 70 11.898 27.986 -2.015 540 H SER 71 H SER 71 8.038 28.722 -4.516 541 HA SER 71 HA SER 71 6.167 27.199 -2.903 542 HB2 SER 71 HB2 SER 71 6.298 29.795 -3.555 543 HB3 SER 71 HB3 SER 71 5.000 29.334 -4.667 544 HG SER 71 HG SER 71 4.458 29.954 -2.345 545 H LYS 72 H LYS 72 6.657 27.200 -6.296 546 HA LYS 72 HA LYS 72 4.152 25.814 -6.936 547 HB2 LYS 72 HB2 LYS 72 5.413 27.397 -8.575 548 HB3 LYS 72 HB3 LYS 72 6.520 26.040 -8.833 549 HG2 LYS 72 HG2 LYS 72 4.667 24.617 -9.558 550 HG3 LYS 72 HG3 LYS 72 3.481 25.860 -9.154 551 HD2 LYS 72 HD2 LYS 72 5.622 26.193 -11.284 552 HD3 LYS 72 HD3 LYS 72 3.984 25.608 -11.595 553 HE2 LYS 72 HE2 LYS 72 3.157 27.796 -10.563 554 HE3 LYS 72 HE3 LYS 72 4.842 28.357 -10.620 555 HZ1 LYS 72 HZ1 LYS 72 3.274 27.444 -12.991 556 HZ2 LYS 72 HZ2 LYS 72 4.810 27.949 -13.049 557 HZ3 LYS 72 HZ3 LYS 72 3.634 29.009 -12.653 558 H PHE 73 H PHE 73 7.584 24.989 -6.653 559 HA PHE 73 HA PHE 73 7.325 22.165 -7.158 560 HB2 PHE 73 HB2 PHE 73 9.491 23.308 -7.295 561 HB3 PHE 73 HB3 PHE 73 9.385 23.779 -5.606 562 HD1 PHE 73 HD1 PHE 73 9.000 20.578 -7.583 563 HD2 PHE 73 HD2 PHE 73 10.706 22.520 -4.124 564 HE1 PHE 73 HE1 PHE 73 9.921 18.409 -6.815 565 HE2 PHE 73 HE2 PHE 73 11.625 20.325 -3.373 566 HZ PHE 73 HZ PHE 73 11.151 18.294 -4.646 567 H ARG 74 H ARG 74 7.541 23.951 -4.112 568 HA ARG 74 HA ARG 74 7.170 21.860 -2.292 569 HB2 ARG 74 HB2 ARG 74 7.818 24.419 -2.076 570 HB3 ARG 74 HB3 ARG 74 6.086 24.666 -1.823 571 HG2 ARG 74 HG2 ARG 74 6.248 23.114 0.166 572 HG3 ARG 74 HG3 ARG 74 7.987 22.931 -0.179 573 HD2 ARG 74 HD2 ARG 74 8.100 25.511 -0.083 574 HD3 ARG 74 HD3 ARG 74 6.492 25.464 0.620 575 HE ARG 74 HE ARG 74 7.403 24.168 2.497 576 HH11 ARG 74 HH11 ARG 74 9.810 25.893 0.568 577 HH12 ARG 74 HH12 ARG 74 11.014 25.791 1.787 578 HH21 ARG 74 HH21 ARG 74 8.993 24.115 4.062 579 HH22 ARG 74 HH22 ARG 74 10.557 24.808 3.707 580 H LYS 75 H LYS 75 4.766 23.332 -4.296 581 HA LYS 75 HA LYS 75 2.424 22.498 -2.850 582 HB2 LYS 75 HB2 LYS 75 2.844 24.130 -5.034 583 HB3 LYS 75 HB3 LYS 75 2.355 22.647 -5.855 584 HG2 LYS 75 HG2 LYS 75 0.366 23.885 -5.523 585 HG3 LYS 75 HG3 LYS 75 0.309 22.615 -4.287 586 HD2 LYS 75 HD2 LYS 75 1.170 24.260 -2.591 587 HD3 LYS 75 HD3 LYS 75 1.334 25.461 -3.876 588 HE2 LYS 75 HE2 LYS 75 -0.678 25.973 -2.679 589 HE3 LYS 75 HE3 LYS 75 -1.156 25.327 -4.255 590 HZ1 LYS 75 HZ1 LYS 75 -1.080 23.789 -1.716 591 HZ2 LYS 75 HZ2 LYS 75 -1.543 23.178 -3.165 592 HZ3 LYS 75 HZ3 LYS 75 -2.446 24.346 -2.438 593 H LEU 76 H LEU 76 4.523 21.040 -5.174 594 HA LEU 76 HA LEU 76 2.947 18.549 -5.387 595 HB2 LEU 76 HB2 LEU 76 4.406 19.433 -7.296 596 HB3 LEU 76 HB3 LEU 76 5.817 19.121 -6.296 597 HG LEU 76 HG LEU 76 5.291 16.692 -6.253 598 HD11 LEU 76 HD11 LEU 76 2.862 16.720 -6.678 599 HD12 LEU 76 HD12 LEU 76 3.691 15.783 -7.924 600 HD13 LEU 76 HD13 LEU 76 3.138 17.437 -8.282 601 HD21 LEU 76 HD21 LEU 76 5.482 17.903 -9.046 602 HD22 LEU 76 HD22 LEU 76 5.954 16.250 -8.573 603 HD23 LEU 76 HD23 LEU 76 6.839 17.642 -7.926 604 H VAL 77 H VAL 77 6.025 19.476 -4.016 605 HA VAL 77 HA VAL 77 6.542 17.015 -2.662 606 HB VAL 77 HB VAL 77 7.219 19.744 -1.490 607 HG11 VAL 77 HG11 VAL 77 8.397 16.974 -0.989 608 HG12 VAL 77 HG12 VAL 77 9.087 18.485 -0.388 609 HG13 VAL 77 HG13 VAL 77 7.501 17.961 0.189 610 HG21 VAL 77 HG21 VAL 77 9.440 19.354 -2.524 611 HG22 VAL 77 HG22 VAL 77 8.811 17.922 -3.339 612 HG23 VAL 77 HG23 VAL 77 8.173 19.534 -3.748 613 H THR 78 H THR 78 4.572 19.728 -1.492 614 HA THR 78 HA THR 78 3.929 18.420 0.968 615 HB THR 78 HB THR 78 2.343 20.584 -0.479 616 HG1 THR 78 HG1 THR 78 4.349 21.288 -0.046 617 HG21 THR 78 HG21 THR 78 1.546 21.205 1.796 618 HG22 THR 78 HG22 THR 78 2.330 19.756 2.458 619 HG23 THR 78 HG23 THR 78 0.972 19.600 1.318 620 H ALA 79 H ALA 79 2.480 18.195 -2.221 621 HA ALA 79 HA ALA 79 0.131 16.826 -1.119 622 HB1 ALA 79 HB1 ALA 79 -0.518 16.593 -3.519 623 HB2 ALA 79 HB2 ALA 79 -0.060 18.269 -3.154 624 HB3 ALA 79 HB3 ALA 79 1.080 17.202 -4.006 625 H ILE 80 H ILE 80 3.170 15.949 -2.433 626 HA ILE 80 HA ILE 80 2.483 13.078 -2.681 627 HB ILE 80 HB ILE 80 5.125 14.551 -2.860 628 HG12 ILE 80 HG12 ILE 80 3.559 14.998 -4.748 629 HG13 ILE 80 HG13 ILE 80 5.011 14.148 -5.242 630 HG21 ILE 80 HG21 ILE 80 5.993 12.383 -3.771 631 HG22 ILE 80 HG22 ILE 80 5.576 12.290 -2.070 632 HG23 ILE 80 HG23 ILE 80 4.486 11.591 -3.275 633 HD11 ILE 80 HD11 ILE 80 2.273 12.867 -4.872 634 HD12 ILE 80 HD12 ILE 80 3.029 13.324 -6.407 635 HD13 ILE 80 HD13 ILE 80 3.752 12.041 -5.431 636 H LYS 81 H LYS 81 3.889 15.271 -0.308 637 HA LYS 81 HA LYS 81 4.826 13.244 1.517 638 HB2 LYS 81 HB2 LYS 81 5.263 15.793 1.562 639 HB3 LYS 81 HB3 LYS 81 3.723 15.990 2.368 640 HG2 LYS 81 HG2 LYS 81 5.481 13.931 3.621 641 HG3 LYS 81 HG3 LYS 81 6.221 15.520 3.524 642 HD2 LYS 81 HD2 LYS 81 5.226 15.348 5.646 643 HD3 LYS 81 HD3 LYS 81 4.239 16.494 4.725 644 HE2 LYS 81 HE2 LYS 81 2.508 14.843 4.377 645 HE3 LYS 81 HE3 LYS 81 3.568 13.530 4.920 646 HZ1 LYS 81 HZ1 LYS 81 2.471 15.679 6.647 647 HZ2 LYS 81 HZ2 LYS 81 3.535 14.525 7.142 648 HZ3 LYS 81 HZ3 LYS 81 2.028 14.095 6.654 649 H ALA 82 H ALA 82 1.858 14.957 1.104 650 HA ALA 82 HA ALA 82 0.306 13.908 3.327 651 HB1 ALA 82 HB1 ALA 82 -0.273 16.038 2.212 652 HB2 ALA 82 HB2 ALA 82 -0.641 15.162 0.711 653 HB3 ALA 82 HB3 ALA 82 -1.624 14.888 2.161 654 H ALA 83 H ALA 83 0.404 13.057 -0.171 655 HA ALA 83 HA ALA 83 -1.296 10.801 0.016 656 HB1 ALA 83 HB1 ALA 83 -0.388 10.218 -2.180 657 HB2 ALA 83 HB2 ALA 83 -0.660 11.968 -2.095 658 HB3 ALA 83 HB3 ALA 83 0.987 11.317 -1.934 659 H LEU 84 H LEU 84 2.165 11.069 0.465 660 HA LEU 84 HA LEU 84 2.735 8.263 0.730 661 HB2 LEU 84 HB2 LEU 84 4.364 10.278 0.493 662 HB3 LEU 84 HB3 LEU 84 4.197 10.493 2.220 663 HG LEU 84 HG LEU 84 6.209 9.353 1.498 664 HD11 LEU 84 HD11 LEU 84 5.181 8.610 3.676 665 HD12 LEU 84 HD12 LEU 84 6.265 7.434 2.919 666 HD13 LEU 84 HD13 LEU 84 4.516 7.200 2.811 667 HD21 LEU 84 HD21 LEU 84 4.770 8.331 -0.539 668 HD22 LEU 84 HD22 LEU 84 4.782 6.903 0.507 669 HD23 LEU 84 HD23 LEU 84 6.297 7.680 -0.022 670 H ALA 85 H ALA 85 2.132 10.719 3.185 671 HA ALA 85 HA ALA 85 2.011 8.910 5.392 672 HB1 ALA 85 HB1 ALA 85 0.756 11.680 5.130 673 HB2 ALA 85 HB2 ALA 85 1.092 10.830 6.656 674 HB3 ALA 85 HB3 ALA 85 2.438 11.341 5.613 675 H GLN 86 H GLN 86 -0.292 9.360 3.029 676 HA GLN 86 HA GLN 86 -2.593 8.285 4.558 677 HB2 GLN 86 HB2 GLN 86 -2.908 10.081 2.844 678 HB3 GLN 86 HB3 GLN 86 -2.373 8.969 1.592 679 HG2 GLN 86 HG2 GLN 86 -4.316 7.546 1.947 680 HG3 GLN 86 HG3 GLN 86 -4.796 8.481 3.368 681 HE21 GLN 86 HE21 GLN 86 -6.295 10.184 3.005 682 HE22 GLN 86 HE22 GLN 86 -6.625 10.777 1.365 683 H CYS 87 H CYS 87 -0.611 7.418 1.847 684 HA CYS 87 HA CYS 87 -1.459 4.678 1.629 685 HB2 CYS 87 HB2 CYS 87 -0.087 6.464 0.044 686 HB3 CYS 87 HB3 CYS 87 1.243 5.419 0.560 687 HG CYS 87 HG CYS 87 -1.677 4.557 -0.785 688 H GLN 88 H GLN 88 1.110 6.053 3.613 689 HA GLN 88 HA GLN 88 2.680 3.712 3.797 690 HB2 GLN 88 HB2 GLN 88 3.656 4.620 5.859 691 HB3 GLN 88 HB3 GLN 88 3.583 5.753 4.515 692 HG2 GLN 88 HG2 GLN 88 3.073 7.002 6.437 693 HG3 GLN 88 HG3 GLN 88 1.554 6.787 5.553 694 HE21 GLN 88 HE21 GLN 88 0.090 7.056 7.277 695 HE22 GLN 88 HE22 GLN 88 0.195 5.938 8.669 Start of MODEL 16 1 H1 MET 1 H1 MET 1 0.671 1.576 -0.993 2 H2 MET 1 H2 MET 1 0.750 1.444 0.654 3 H3 MET 1 H3 MET 1 0.045 0.258 -0.230 4 HA MET 1 HA MET 1 2.317 -0.176 0.658 5 HB2 MET 1 HB2 MET 1 0.983 -1.355 -1.236 6 HB3 MET 1 HB3 MET 1 2.085 -0.587 -2.357 7 HG2 MET 1 HG2 MET 1 3.045 -2.187 0.051 8 HG3 MET 1 HG3 MET 1 2.502 -2.996 -1.413 9 HE1 MET 1 HE1 MET 1 6.372 -3.501 -1.302 10 HE2 MET 1 HE2 MET 1 5.249 -3.342 0.074 11 HE3 MET 1 HE3 MET 1 4.784 -4.306 -1.346 12 H ALA 2 H ALA 2 4.013 0.215 -2.120 13 HA ALA 2 HA ALA 2 5.007 2.933 -1.717 14 HB1 ALA 2 HB1 ALA 2 5.337 0.927 -4.003 15 HB2 ALA 2 HB2 ALA 2 6.161 2.492 -3.918 16 HB3 ALA 2 HB3 ALA 2 6.508 1.247 -2.703 17 H LEU 3 H LEU 3 4.865 4.332 -3.853 18 HA LEU 3 HA LEU 3 2.210 4.205 -5.141 19 HB2 LEU 3 HB2 LEU 3 2.843 6.164 -3.330 20 HB3 LEU 3 HB3 LEU 3 3.647 6.797 -4.754 21 HG LEU 3 HG LEU 3 1.573 7.025 -5.954 22 HD11 LEU 3 HD11 LEU 3 -0.614 6.590 -4.833 23 HD12 LEU 3 HD12 LEU 3 0.250 5.802 -3.504 24 HD13 LEU 3 HD13 LEU 3 0.270 5.089 -5.127 25 HD21 LEU 3 HD21 LEU 3 2.256 8.800 -4.329 26 HD22 LEU 3 HD22 LEU 3 1.306 7.999 -3.063 27 HD23 LEU 3 HD23 LEU 3 0.493 8.700 -4.473 28 H ALA 4 H ALA 4 2.356 5.391 -7.230 29 HA ALA 4 HA ALA 4 5.039 5.330 -8.550 30 HB1 ALA 4 HB1 ALA 4 2.447 4.214 -9.697 31 HB2 ALA 4 HB2 ALA 4 4.015 4.312 -10.530 32 HB3 ALA 4 HB3 ALA 4 3.838 3.259 -9.118 33 H VAL 5 H VAL 5 5.567 7.117 -9.578 34 HA VAL 5 HA VAL 5 3.407 8.869 -10.647 35 HB VAL 5 HB VAL 5 6.192 9.762 -10.151 36 HG11 VAL 5 HG11 VAL 5 5.089 11.180 -11.748 37 HG12 VAL 5 HG12 VAL 5 3.679 11.353 -10.672 38 HG13 VAL 5 HG13 VAL 5 5.250 12.050 -10.233 39 HG21 VAL 5 HG21 VAL 5 5.531 10.947 -8.144 40 HG22 VAL 5 HG22 VAL 5 3.850 10.431 -8.345 41 HG23 VAL 5 HG23 VAL 5 5.104 9.254 -7.928 42 H ARG 6 H ARG 6 3.592 9.579 -12.636 43 HA ARG 6 HA ARG 6 5.681 8.529 -14.516 44 HB2 ARG 6 HB2 ARG 6 2.705 8.139 -14.629 45 HB3 ARG 6 HB3 ARG 6 3.407 8.792 -16.110 46 HG2 ARG 6 HG2 ARG 6 3.402 6.447 -16.360 47 HG3 ARG 6 HG3 ARG 6 5.078 6.976 -16.131 48 HD2 ARG 6 HD2 ARG 6 4.973 6.212 -13.767 49 HD3 ARG 6 HD3 ARG 6 3.343 5.573 -14.066 50 HE ARG 6 HE ARG 6 4.992 4.617 -16.118 51 HH11 ARG 6 HH11 ARG 6 5.543 4.311 -12.626 52 HH12 ARG 6 HH12 ARG 6 6.789 3.205 -12.931 53 HH21 ARG 6 HH21 ARG 6 6.479 3.483 -16.358 54 HH22 ARG 6 HH22 ARG 6 7.398 2.757 -15.039 55 H VAL 7 H VAL 7 6.030 9.839 -16.372 56 HA VAL 7 HA VAL 7 5.002 12.610 -16.402 57 HB VAL 7 HB VAL 7 7.989 12.030 -16.476 58 HG11 VAL 7 HG11 VAL 7 6.392 14.629 -16.403 59 HG12 VAL 7 HG12 VAL 7 8.167 14.504 -16.323 60 HG13 VAL 7 HG13 VAL 7 7.311 14.001 -17.781 61 HG21 VAL 7 HG21 VAL 7 8.127 13.271 -14.323 62 HG22 VAL 7 HG22 VAL 7 6.356 13.138 -14.182 63 HG23 VAL 7 HG23 VAL 7 7.361 11.686 -14.187 64 H VAL 8 H VAL 8 4.051 12.448 -18.426 65 HA VAL 8 HA VAL 8 5.577 11.237 -20.684 66 HB VAL 8 HB VAL 8 3.217 10.943 -20.799 67 HG11 VAL 8 HG11 VAL 8 2.915 13.956 -20.881 68 HG12 VAL 8 HG12 VAL 8 1.639 12.766 -21.197 69 HG13 VAL 8 HG13 VAL 8 2.371 12.845 -19.593 70 HG21 VAL 8 HG21 VAL 8 4.025 12.951 -22.939 71 HG22 VAL 8 HG22 VAL 8 4.506 11.236 -22.924 72 HG23 VAL 8 HG23 VAL 8 2.801 11.674 -23.058 73 H TYR 9 H TYR 9 6.929 12.381 -22.089 74 HA TYR 9 HA TYR 9 6.395 15.151 -22.502 75 HB2 TYR 9 HB2 TYR 9 7.704 15.411 -20.420 76 HB3 TYR 9 HB3 TYR 9 9.017 14.460 -21.108 77 HD1 TYR 9 HD2 TYR 9 6.900 17.278 -22.493 78 HD2 TYR 9 HD1 TYR 9 10.847 15.935 -21.367 79 HE1 TYR 9 HE2 TYR 9 7.845 19.374 -23.380 80 HE2 TYR 9 HE1 TYR 9 11.802 18.091 -22.249 81 HH TYR 9 HH TYR 9 9.758 20.546 -23.803 82 H SER 10 H SER 10 7.816 16.089 -24.234 83 HA SER 10 HA SER 10 9.169 14.158 -26.003 84 HB2 SER 10 HB2 SER 10 9.132 15.963 -27.624 85 HB3 SER 10 HB3 SER 10 7.486 15.689 -27.016 86 HG SER 10 HG SER 10 9.295 17.634 -26.063 87 H GLY 11 H GLY 11 10.941 13.824 -24.564 88 HA2 GLY 11 HA2 GLY 11 12.639 15.911 -23.584 89 HA3 GLY 11 HA3 GLY 11 13.028 14.187 -23.685 90 H ALA 12 H ALA 12 12.391 16.443 -26.376 91 HA ALA 12 HA ALA 12 14.283 15.260 -28.082 92 HB1 ALA 12 HB1 ALA 12 13.763 17.143 -29.576 93 HB2 ALA 12 HB2 ALA 12 12.294 16.530 -28.796 94 HB3 ALA 12 HB3 ALA 12 13.042 18.041 -28.223 95 H CYS 13 H CYS 13 14.947 17.781 -25.731 96 HA CYS 13 HA CYS 13 17.740 17.269 -26.161 97 HB2 CYS 13 HB2 CYS 13 17.168 19.262 -27.722 98 HB3 CYS 13 HB3 CYS 13 16.958 20.211 -26.232 99 HG CYS 13 HG CYS 13 19.565 18.663 -27.545 100 H GLY 14 H GLY 14 19.011 18.246 -24.375 101 HA2 GLY 14 HA2 GLY 14 19.523 18.490 -22.150 102 HA3 GLY 14 HA3 GLY 14 18.189 19.643 -22.175 103 H TYR 15 H TYR 15 16.716 16.750 -22.666 104 HA TYR 15 HA TYR 15 15.288 17.166 -20.409 105 HB2 TYR 15 HB2 TYR 15 13.832 15.646 -21.127 106 HB3 TYR 15 HB3 TYR 15 14.769 15.816 -22.608 107 HD1 TYR 15 HD1 TYR 15 16.275 13.924 -23.323 108 HD2 TYR 15 HD2 TYR 15 13.727 13.626 -19.840 109 HE1 TYR 15 HE1 TYR 15 16.598 11.462 -23.290 110 HE2 TYR 15 HE2 TYR 15 14.040 11.163 -19.827 111 HH TYR 15 HH TYR 15 15.483 9.478 -22.425 112 H LYS 16 H LYS 16 17.636 14.577 -20.691 113 HA LYS 16 HA LYS 16 17.053 13.154 -18.387 114 HB2 LYS 16 HB2 LYS 16 19.641 13.533 -19.881 115 HB3 LYS 16 HB3 LYS 16 19.731 12.764 -18.282 116 HG2 LYS 16 HG2 LYS 16 17.750 11.793 -20.322 117 HG3 LYS 16 HG3 LYS 16 19.431 11.228 -20.332 118 HD2 LYS 16 HD2 LYS 16 19.271 10.200 -18.218 119 HD3 LYS 16 HD3 LYS 16 17.828 11.125 -17.750 120 HE2 LYS 16 HE2 LYS 16 16.504 10.048 -19.446 121 HE3 LYS 16 HE3 LYS 16 17.888 9.098 -20.021 122 HZ1 LYS 16 HZ1 LYS 16 17.950 8.001 -17.864 123 HZ2 LYS 16 HZ2 LYS 16 16.467 7.816 -18.549 124 HZ3 LYS 16 HZ3 LYS 16 16.665 8.887 -17.317 125 HA PRO 17 HA PRO 17 19.444 15.613 -15.196 126 HB2 PRO 17 HB2 PRO 17 20.415 18.140 -15.735 127 HB3 PRO 17 HB3 PRO 17 21.370 16.639 -15.952 128 HG2 PRO 17 HG2 PRO 17 19.818 18.182 -18.056 129 HG3 PRO 17 HG3 PRO 17 21.500 17.563 -18.151 130 HD2 PRO 17 HD2 PRO 17 19.440 16.190 -19.248 131 HD3 PRO 17 HD3 PRO 17 20.763 15.331 -18.408 132 H LYS 18 H LYS 18 17.533 17.640 -17.513 133 HA LYS 18 HA LYS 18 16.209 19.253 -15.546 134 HB2 LYS 18 HB2 LYS 18 16.070 19.731 -17.945 135 HB3 LYS 18 HB3 LYS 18 15.248 18.193 -18.242 136 HG2 LYS 18 HG2 LYS 18 13.309 18.958 -16.881 137 HG3 LYS 18 HG3 LYS 18 14.124 20.510 -16.616 138 HD2 LYS 18 HD2 LYS 18 14.036 20.979 -19.043 139 HD3 LYS 18 HD3 LYS 18 13.402 19.360 -19.355 140 HE2 LYS 18 HE2 LYS 18 11.538 20.866 -19.454 141 HE3 LYS 18 HE3 LYS 18 11.376 19.882 -17.999 142 HZ1 LYS 18 HZ1 LYS 18 12.351 22.677 -18.123 143 HZ2 LYS 18 HZ2 LYS 18 12.333 21.774 -16.747 144 HZ3 LYS 18 HZ3 LYS 18 10.922 22.172 -17.498 145 H TYR 19 H TYR 19 15.354 16.074 -16.819 146 HA TYR 19 HA TYR 19 12.972 15.603 -15.307 147 HB2 TYR 19 HB2 TYR 19 13.643 14.392 -17.345 148 HB3 TYR 19 HB3 TYR 19 15.040 13.729 -16.548 149 HD1 TYR 19 HD1 TYR 19 11.284 13.657 -16.497 150 HD2 TYR 19 HD2 TYR 19 14.962 11.814 -15.198 151 HE1 TYR 19 HE1 TYR 19 10.007 11.709 -15.576 152 HE2 TYR 19 HE2 TYR 19 13.669 9.863 -14.318 153 HH TYR 19 HH TYR 19 10.153 9.775 -14.314 154 H LEU 20 H LEU 20 16.268 14.392 -14.861 155 HA LEU 20 HA LEU 20 15.839 13.114 -12.336 156 HB2 LEU 20 HB2 LEU 20 18.279 14.188 -13.673 157 HB3 LEU 20 HB3 LEU 20 18.392 13.852 -11.990 158 HG LEU 20 HG LEU 20 17.388 11.481 -12.611 159 HD11 LEU 20 HD11 LEU 20 18.863 12.217 -15.172 160 HD12 LEU 20 HD12 LEU 20 17.113 11.972 -15.044 161 HD13 LEU 20 HD13 LEU 20 18.220 10.616 -14.735 162 HD21 LEU 20 HD21 LEU 20 20.281 12.276 -13.127 163 HD22 LEU 20 HD22 LEU 20 19.694 10.621 -12.815 164 HD23 LEU 20 HD23 LEU 20 19.562 11.855 -11.560 165 H GLN 21 H GLN 21 16.604 16.601 -12.890 166 HA GLN 21 HA GLN 21 17.223 17.123 -10.194 167 HB2 GLN 21 HB2 GLN 21 17.367 18.596 -12.403 168 HB3 GLN 21 HB3 GLN 21 15.772 19.181 -11.920 169 HG2 GLN 21 HG2 GLN 21 18.342 19.260 -10.287 170 HG3 GLN 21 HG3 GLN 21 17.700 20.620 -11.218 171 HE21 GLN 21 HE21 GLN 21 15.123 21.043 -10.531 172 HE22 GLN 21 HE22 GLN 21 15.030 21.106 -8.759 173 H LEU 22 H LEU 22 14.048 17.026 -11.768 174 HA LEU 22 HA LEU 22 12.569 17.613 -9.291 175 HB2 LEU 22 HB2 LEU 22 11.524 18.087 -11.444 176 HB3 LEU 22 HB3 LEU 22 11.736 16.405 -11.958 177 HG LEU 22 HG LEU 22 10.142 15.647 -10.214 178 HD11 LEU 22 HD11 LEU 22 8.736 17.281 -9.012 179 HD12 LEU 22 HD12 LEU 22 9.712 18.622 -9.662 180 HD13 LEU 22 HD13 LEU 22 10.427 17.447 -8.536 181 HD21 LEU 22 HD21 LEU 22 8.121 16.564 -11.262 182 HD22 LEU 22 HD22 LEU 22 9.353 16.200 -12.478 183 HD23 LEU 22 HD23 LEU 22 9.071 17.884 -11.979 184 H LYS 23 H LYS 23 13.515 14.699 -11.117 185 HA LYS 23 HA LYS 23 11.975 12.890 -9.500 186 HB2 LYS 23 HB2 LYS 23 13.263 12.586 -11.919 187 HB3 LYS 23 HB3 LYS 23 14.439 11.823 -10.847 188 HG2 LYS 23 HG2 LYS 23 11.578 11.152 -10.655 189 HG3 LYS 23 HG3 LYS 23 12.452 10.542 -12.032 190 HD2 LYS 23 HD2 LYS 23 13.787 10.044 -9.369 191 HD3 LYS 23 HD3 LYS 23 12.261 9.213 -9.640 192 HE2 LYS 23 HE2 LYS 23 13.162 8.683 -11.993 193 HE3 LYS 23 HE3 LYS 23 14.761 9.099 -11.327 194 HZ1 LYS 23 HZ1 LYS 23 12.929 7.089 -10.101 195 HZ2 LYS 23 HZ2 LYS 23 14.348 7.403 -9.572 196 HZ3 LYS 23 HZ3 LYS 23 14.214 6.647 -11.051 197 H GLU 24 H GLU 24 15.434 13.421 -9.475 198 HA GLU 24 HA GLU 24 16.391 11.996 -7.297 199 HB2 GLU 24 HB2 GLU 24 17.730 13.509 -8.798 200 HB3 GLU 24 HB3 GLU 24 16.930 14.904 -8.093 201 HG2 GLU 24 HG2 GLU 24 18.260 13.280 -6.025 202 HG3 GLU 24 HG3 GLU 24 19.367 13.795 -7.304 203 H LYS 25 H LYS 25 14.803 15.167 -7.078 204 HA LYS 25 HA LYS 25 15.125 15.429 -4.254 205 HB2 LYS 25 HB2 LYS 25 13.954 16.967 -6.402 206 HB3 LYS 25 HB3 LYS 25 12.637 16.675 -5.300 207 HG2 LYS 25 HG2 LYS 25 13.685 18.778 -4.747 208 HG3 LYS 25 HG3 LYS 25 13.915 17.622 -3.421 209 HD2 LYS 25 HD2 LYS 25 15.918 19.045 -3.918 210 HD3 LYS 25 HD3 LYS 25 16.244 17.310 -4.067 211 HE2 LYS 25 HE2 LYS 25 15.804 17.529 -6.565 212 HE3 LYS 25 HE3 LYS 25 15.694 19.284 -6.345 213 HZ1 LYS 25 HZ1 LYS 25 18.008 17.495 -5.868 214 HZ2 LYS 25 HZ2 LYS 25 18.034 19.119 -5.505 215 HZ3 LYS 25 HZ3 LYS 25 17.855 18.594 -7.053 216 H LEU 26 H LEU 26 12.432 14.190 -6.087 217 HA LEU 26 HA LEU 26 10.772 13.792 -3.755 218 HB2 LEU 26 HB2 LEU 26 10.420 13.949 -6.570 219 HB3 LEU 26 HB3 LEU 26 10.034 12.279 -6.140 220 HG LEU 26 HG LEU 26 8.511 13.101 -4.396 221 HD11 LEU 26 HD11 LEU 26 7.714 15.469 -4.420 222 HD12 LEU 26 HD12 LEU 26 8.958 15.869 -5.625 223 HD13 LEU 26 HD13 LEU 26 9.417 15.400 -3.979 224 HD21 LEU 26 HD21 LEU 26 7.921 14.190 -7.182 225 HD22 LEU 26 HD22 LEU 26 6.706 13.988 -5.917 226 HD23 LEU 26 HD23 LEU 26 7.535 12.560 -6.571 227 H GLU 27 H GLU 27 12.646 11.567 -5.780 228 HA GLU 27 HA GLU 27 12.164 9.257 -4.101 229 HB2 GLU 27 HB2 GLU 27 13.888 10.021 -6.397 230 HB3 GLU 27 HB3 GLU 27 14.611 8.837 -5.311 231 HG2 GLU 27 HG2 GLU 27 12.691 7.388 -5.422 232 HG3 GLU 27 HG3 GLU 27 11.759 8.559 -6.351 233 H HIS 28 H HIS 28 14.590 11.872 -3.823 234 HA HIS 28 HA HIS 28 15.941 10.615 -1.601 235 HB2 HIS 28 HB2 HIS 28 16.876 12.488 -2.917 236 HB3 HIS 28 HB3 HIS 28 15.636 13.565 -2.278 237 HD1 HIS 28 HD1 HIS 28 17.019 15.124 -0.780 238 HD2 HIS 28 HD2 HIS 28 17.713 11.040 -0.125 239 HE1 HIS 28 HE1 HIS 28 18.568 14.956 1.282 240 H GLU 29 H GLU 29 13.115 12.748 -1.805 241 HA GLU 29 HA GLU 29 12.699 13.121 1.019 242 HB2 GLU 29 HB2 GLU 29 11.343 13.651 -1.585 243 HB3 GLU 29 HB3 GLU 29 10.257 13.432 -0.243 244 HG2 GLU 29 HG2 GLU 29 12.608 15.334 0.035 245 HG3 GLU 29 HG3 GLU 29 11.180 15.815 -0.886 246 H PHE 30 H PHE 30 11.466 10.762 -1.285 247 HA PHE 30 HA PHE 30 10.099 9.234 0.902 248 HB2 PHE 30 HB2 PHE 30 9.176 9.553 -1.959 249 HB3 PHE 30 HB3 PHE 30 8.270 8.893 -0.606 250 HD1 PHE 30 HD1 PHE 30 8.191 10.760 1.492 251 HD2 PHE 30 HD2 PHE 30 8.494 11.610 -2.707 252 HE1 PHE 30 HE1 PHE 30 7.383 13.052 1.891 253 HE2 PHE 30 HE2 PHE 30 7.626 13.916 -2.310 254 HZ PHE 30 HZ PHE 30 7.108 14.655 -0.022 255 HA PRO 31 HA PRO 31 13.000 6.768 -1.984 256 HB2 PRO 31 HB2 PRO 31 14.734 5.604 -0.177 257 HB3 PRO 31 HB3 PRO 31 15.004 7.162 -1.011 258 HG2 PRO 31 HG2 PRO 31 13.882 6.700 1.773 259 HG3 PRO 31 HG3 PRO 31 15.114 7.902 1.260 260 HD2 PRO 31 HD2 PRO 31 12.525 8.626 1.586 261 HD3 PRO 31 HD3 PRO 31 13.487 9.254 0.212 262 H GLY 32 H GLY 32 12.409 4.903 -2.602 263 HA2 GLY 32 HA2 GLY 32 11.324 2.888 -2.873 264 HA3 GLY 32 HA3 GLY 32 11.798 2.505 -1.215 265 H CYS 33 H CYS 33 10.014 5.053 -0.519 266 HA CYS 33 HA CYS 33 7.497 3.689 -0.167 267 HB2 CYS 33 HB2 CYS 33 8.017 6.653 0.027 268 HB3 CYS 33 HB3 CYS 33 6.780 5.697 0.841 269 HG CYS 33 HG CYS 33 10.051 5.205 1.337 270 H LEU 34 H LEU 34 9.070 5.301 -2.719 271 HA LEU 34 HA LEU 34 6.596 5.585 -4.310 272 HB2 LEU 34 HB2 LEU 34 8.139 7.768 -3.048 273 HB3 LEU 34 HB3 LEU 34 8.102 7.905 -4.804 274 HG LEU 34 HG LEU 34 5.502 7.384 -3.357 275 HD11 LEU 34 HD11 LEU 34 6.757 10.131 -3.696 276 HD12 LEU 34 HD12 LEU 34 6.543 9.286 -2.151 277 HD13 LEU 34 HD13 LEU 34 5.122 9.759 -3.078 278 HD21 LEU 34 HD21 LEU 34 6.320 8.992 -5.819 279 HD22 LEU 34 HD22 LEU 34 4.653 8.771 -5.251 280 HD23 LEU 34 HD23 LEU 34 5.602 7.381 -5.841 281 H ASP 35 H ASP 35 6.886 5.863 -6.367 282 HA ASP 35 HA ASP 35 9.550 5.583 -7.713 283 HB2 ASP 35 HB2 ASP 35 8.320 3.628 -8.175 284 HB3 ASP 35 HB3 ASP 35 6.818 4.476 -8.190 285 H ILE 36 H ILE 36 9.821 6.735 -9.473 286 HA ILE 36 HA ILE 36 7.704 8.210 -10.721 287 HB ILE 36 HB ILE 36 10.289 9.556 -10.290 288 HG12 ILE 36 HG12 ILE 36 7.799 10.792 -9.149 289 HG13 ILE 36 HG13 ILE 36 8.881 9.767 -8.195 290 HG21 ILE 36 HG21 ILE 36 8.968 11.556 -11.466 291 HG22 ILE 36 HG22 ILE 36 9.401 10.183 -12.449 292 HG23 ILE 36 HG23 ILE 36 7.757 10.326 -11.815 293 HD11 ILE 36 HD11 ILE 36 9.298 12.268 -8.088 294 HD12 ILE 36 HD12 ILE 36 10.738 11.273 -8.485 295 HD13 ILE 36 HD13 ILE 36 9.895 12.222 -9.711 296 H CYS 37 H CYS 37 7.793 7.676 -12.498 297 HA CYS 37 HA CYS 37 10.076 6.851 -14.269 298 HB2 CYS 37 HB2 CYS 37 7.302 5.837 -13.783 299 HB3 CYS 37 HB3 CYS 37 7.929 5.665 -15.426 300 HG CYS 37 HG CYS 37 9.196 4.636 -12.506 301 H GLY 38 H GLY 38 9.295 7.078 -16.664 302 HA2 GLY 38 HA2 GLY 38 7.706 9.426 -17.244 303 HA3 GLY 38 HA3 GLY 38 9.444 9.704 -17.492 304 H GLU 39 H GLU 39 7.107 9.483 -19.386 305 HA GLU 39 HA GLU 39 7.646 6.907 -20.813 306 HB2 GLU 39 HB2 GLU 39 5.047 8.327 -20.312 307 HB3 GLU 39 HB3 GLU 39 5.250 6.751 -21.072 308 HG2 GLU 39 HG2 GLU 39 5.811 7.448 -18.155 309 HG3 GLU 39 HG3 GLU 39 4.377 6.637 -18.750 310 H GLY 40 H GLY 40 8.946 7.993 -22.194 311 HA2 GLY 40 HA2 GLY 40 8.248 10.501 -23.498 312 HA3 GLY 40 HA3 GLY 40 9.708 9.571 -23.807 313 H THR 41 H THR 41 6.211 9.422 -24.359 314 HA THR 41 HA THR 41 6.628 8.509 -27.199 315 HB THR 41 HB THR 41 4.247 8.044 -25.449 316 HG1 THR 41 HG1 THR 41 6.551 6.453 -25.816 317 HG21 THR 41 HG21 THR 41 5.278 6.551 -27.928 318 HG22 THR 41 HG22 THR 41 3.852 7.612 -27.888 319 HG23 THR 41 HG23 THR 41 3.848 6.096 -26.976 320 HA PRO 42 HA PRO 42 4.300 12.592 -27.317 321 HB2 PRO 42 HB2 PRO 42 6.119 14.232 -28.467 322 HB3 PRO 42 HB3 PRO 42 6.273 13.761 -26.742 323 HG2 PRO 42 HG2 PRO 42 7.623 12.450 -29.145 324 HG3 PRO 42 HG3 PRO 42 8.423 13.091 -27.680 325 HD2 PRO 42 HD2 PRO 42 7.752 10.465 -27.896 326 HD3 PRO 42 HD3 PRO 42 7.548 11.313 -26.327 327 H GLN 43 H GLN 43 3.817 13.910 -29.312 328 HA GLN 43 HA GLN 43 4.550 12.692 -31.914 329 HB2 GLN 43 HB2 GLN 43 1.681 13.336 -31.134 330 HB3 GLN 43 HB3 GLN 43 2.217 13.106 -32.800 331 HG2 GLN 43 HG2 GLN 43 2.459 10.960 -30.647 332 HG3 GLN 43 HG3 GLN 43 1.120 11.113 -31.774 333 HE21 GLN 43 HE21 GLN 43 4.572 10.231 -31.529 334 HE22 GLN 43 HE22 GLN 43 4.562 9.511 -33.160 335 H VAL 44 H VAL 44 2.207 15.184 -32.079 336 HA VAL 44 HA VAL 44 4.165 16.874 -33.380 337 HB VAL 44 HB VAL 44 2.257 18.265 -34.016 338 HG11 VAL 44 HG11 VAL 44 1.082 16.638 -35.365 339 HG12 VAL 44 HG12 VAL 44 2.800 16.221 -35.300 340 HG13 VAL 44 HG13 VAL 44 1.625 15.302 -34.334 341 HG21 VAL 44 HG21 VAL 44 -0.034 17.690 -33.404 342 HG22 VAL 44 HG22 VAL 44 0.525 16.396 -32.330 343 HG23 VAL 44 HG23 VAL 44 0.883 18.098 -31.951 344 H THR 45 H THR 45 3.616 16.787 -30.133 345 HA THR 45 HA THR 45 4.793 19.385 -29.712 346 HB THR 45 HB THR 45 2.486 20.122 -30.028 347 HG1 THR 45 HG1 THR 45 2.471 21.382 -28.345 348 HG21 THR 45 HG21 THR 45 0.716 19.564 -28.427 349 HG22 THR 45 HG22 THR 45 1.777 18.381 -27.630 350 HG23 THR 45 HG23 THR 45 1.238 18.119 -29.303 351 H GLY 46 H GLY 46 5.062 19.861 -27.423 352 HA2 GLY 46 HA2 GLY 46 5.960 17.438 -25.945 353 HA3 GLY 46 HA3 GLY 46 6.576 19.092 -25.748 354 H PHE 47 H PHE 47 3.526 17.299 -25.441 355 HA PHE 47 HA PHE 47 2.499 18.617 -23.070 356 HB2 PHE 47 HB2 PHE 47 2.101 15.858 -24.275 357 HB3 PHE 47 HB3 PHE 47 1.317 16.379 -22.791 358 HD1 PHE 47 HD2 PHE 47 1.407 19.214 -25.059 359 HD2 PHE 47 HD1 PHE 47 -0.622 15.506 -24.188 360 HE1 PHE 47 HE2 PHE 47 -0.562 19.998 -26.306 361 HE2 PHE 47 HE1 PHE 47 -2.591 16.289 -25.490 362 HZ PHE 47 HZ PHE 47 -2.560 18.541 -26.555 363 H PHE 48 H PHE 48 4.149 18.938 -21.655 364 HA PHE 48 HA PHE 48 5.572 16.696 -20.348 365 HB2 PHE 48 HB2 PHE 48 6.563 19.062 -20.749 366 HB3 PHE 48 HB3 PHE 48 5.543 19.592 -19.433 367 HD1 PHE 48 HD2 PHE 48 5.724 17.996 -17.197 368 HD2 PHE 48 HD1 PHE 48 8.783 18.508 -20.188 369 HE1 PHE 48 HE2 PHE 48 7.442 17.325 -15.563 370 HE2 PHE 48 HE1 PHE 48 10.488 17.774 -18.578 371 HZ PHE 48 HZ PHE 48 9.834 17.202 -16.235 372 H GLU 49 H GLU 49 3.747 15.413 -19.424 373 HA GLU 49 HA GLU 49 2.160 16.924 -17.392 374 HB2 GLU 49 HB2 GLU 49 1.266 14.741 -19.305 375 HB3 GLU 49 HB3 GLU 49 0.359 15.482 -18.012 376 HG2 GLU 49 HG2 GLU 49 0.849 17.738 -19.210 377 HG3 GLU 49 HG3 GLU 49 1.354 16.767 -20.570 378 H VAL 50 H VAL 50 2.074 16.183 -15.385 379 HA VAL 50 HA VAL 50 3.595 13.664 -14.768 380 HB VAL 50 HB VAL 50 3.051 16.028 -12.942 381 HG11 VAL 50 HG11 VAL 50 4.770 14.982 -11.477 382 HG12 VAL 50 HG12 VAL 50 3.300 14.022 -11.612 383 HG13 VAL 50 HG13 VAL 50 4.747 13.548 -12.524 384 HG21 VAL 50 HG21 VAL 50 5.701 15.215 -14.213 385 HG22 VAL 50 HG22 VAL 50 4.718 16.567 -14.773 386 HG23 VAL 50 HG23 VAL 50 5.409 16.596 -13.143 387 H THR 51 H THR 51 2.514 12.005 -13.886 388 HA THR 51 HA THR 51 -0.144 12.475 -12.654 389 HB THR 51 HB THR 51 0.206 9.838 -13.846 390 HG1 THR 51 HG1 THR 51 0.153 11.993 -15.672 391 HG21 THR 51 HG21 THR 51 -1.919 10.341 -14.932 392 HG22 THR 51 HG22 THR 51 -1.800 12.039 -14.414 393 HG23 THR 51 HG23 THR 51 -1.955 10.738 -13.208 394 H VAL 52 H VAL 52 -0.320 11.639 -10.577 395 HA VAL 52 HA VAL 52 1.514 9.443 -9.719 396 HB VAL 52 HB VAL 52 1.894 11.477 -8.448 397 HG11 VAL 52 HG11 VAL 52 -0.908 11.197 -7.277 398 HG12 VAL 52 HG12 VAL 52 0.290 12.455 -6.950 399 HG13 VAL 52 HG13 VAL 52 -0.500 12.370 -8.534 400 HG21 VAL 52 HG21 VAL 52 2.182 9.220 -7.383 401 HG22 VAL 52 HG22 VAL 52 1.745 10.474 -6.210 402 HG23 VAL 52 HG23 VAL 52 0.528 9.320 -6.770 403 H ALA 53 H ALA 53 0.674 7.594 -9.395 404 HA ALA 53 HA ALA 53 -0.859 5.878 -9.607 405 HB1 ALA 53 HB1 ALA 53 -2.047 7.440 -7.291 406 HB2 ALA 53 HB2 ALA 53 -2.266 5.704 -7.612 407 HB3 ALA 53 HB3 ALA 53 -0.654 6.332 -7.222 408 H GLY 54 H GLY 54 -1.555 8.023 -11.438 409 HA2 GLY 54 HA2 GLY 54 -3.297 8.091 -13.098 410 HA3 GLY 54 HA3 GLY 54 -4.401 7.324 -11.954 411 H LYS 55 H LYS 55 -2.629 10.098 -10.804 412 HA LYS 55 HA LYS 55 -4.930 11.967 -11.246 413 HB2 LYS 55 HB2 LYS 55 -3.076 11.886 -8.916 414 HB3 LYS 55 HB3 LYS 55 -4.442 12.968 -9.106 415 HG2 LYS 55 HG2 LYS 55 -4.571 9.933 -8.736 416 HG3 LYS 55 HG3 LYS 55 -4.890 11.158 -7.502 417 HD2 LYS 55 HD2 LYS 55 -6.836 11.985 -8.759 418 HD3 LYS 55 HD3 LYS 55 -6.501 10.839 -10.076 419 HE2 LYS 55 HE2 LYS 55 -6.717 8.950 -8.446 420 HE3 LYS 55 HE3 LYS 55 -7.201 10.116 -7.203 421 HZ1 LYS 55 HZ1 LYS 55 -9.133 9.131 -8.269 422 HZ2 LYS 55 HZ2 LYS 55 -8.634 9.613 -9.755 423 HZ3 LYS 55 HZ3 LYS 55 -9.079 10.733 -8.639 424 H LEU 56 H LEU 56 -4.381 13.594 -12.601 425 HA LEU 56 HA LEU 56 -1.642 14.289 -13.245 426 HB2 LEU 56 HB2 LEU 56 -3.263 14.516 -14.854 427 HB3 LEU 56 HB3 LEU 56 -4.325 15.556 -13.878 428 HG LEU 56 HG LEU 56 -1.543 16.384 -14.813 429 HD11 LEU 56 HD11 LEU 56 -4.209 16.827 -16.232 430 HD12 LEU 56 HD12 LEU 56 -2.923 15.714 -16.764 431 HD13 LEU 56 HD13 LEU 56 -2.622 17.441 -16.750 432 HD21 LEU 56 HD21 LEU 56 -4.015 17.989 -13.999 433 HD22 LEU 56 HD22 LEU 56 -2.546 18.699 -14.716 434 HD23 LEU 56 HD23 LEU 56 -2.475 17.936 -13.134 435 H VAL 57 H VAL 57 -0.361 15.496 -12.310 436 HA VAL 57 HA VAL 57 -1.218 17.360 -10.093 437 HB VAL 57 HB VAL 57 1.607 16.327 -10.215 438 HG11 VAL 57 HG11 VAL 57 1.362 16.502 -7.750 439 HG12 VAL 57 HG12 VAL 57 0.951 18.037 -8.545 440 HG13 VAL 57 HG13 VAL 57 -0.336 16.969 -7.945 441 HG21 VAL 57 HG21 VAL 57 -0.700 14.700 -9.086 442 HG22 VAL 57 HG22 VAL 57 0.417 14.213 -10.386 443 HG23 VAL 57 HG23 VAL 57 1.025 14.414 -8.745 444 H HIS 58 H HIS 58 0.558 17.012 -13.031 445 HA HIS 58 HA HIS 58 0.977 19.952 -13.157 446 HB2 HIS 58 HB2 HIS 58 3.027 18.631 -12.343 447 HB3 HIS 58 HB3 HIS 58 3.049 17.923 -13.965 448 HD1 HIS 58 HD1 HIS 58 2.790 21.732 -12.980 449 HD2 HIS 58 HD2 HIS 58 4.828 18.941 -15.433 450 HE1 HIS 58 HE1 HIS 58 4.391 23.024 -14.349 451 H SER 59 H SER 59 1.175 20.740 -15.236 452 HA SER 59 HA SER 59 1.243 19.017 -17.563 453 HB2 SER 59 HB2 SER 59 -1.245 19.150 -16.792 454 HB3 SER 59 HB3 SER 59 -1.123 20.825 -17.221 455 HG SER 59 HG SER 59 -1.261 18.696 -18.969 456 H LYS 60 H LYS 60 2.608 20.151 -18.942 457 HA LYS 60 HA LYS 60 2.464 23.050 -19.107 458 HB2 LYS 60 HB2 LYS 60 3.923 20.852 -20.497 459 HB3 LYS 60 HB3 LYS 60 3.599 22.236 -21.528 460 HG2 LYS 60 HG2 LYS 60 4.757 22.679 -18.750 461 HG3 LYS 60 HG3 LYS 60 5.788 22.123 -20.061 462 HD2 LYS 60 HD2 LYS 60 5.943 24.510 -19.840 463 HD3 LYS 60 HD3 LYS 60 5.278 24.058 -21.418 464 HE2 LYS 60 HE2 LYS 60 2.997 24.595 -20.607 465 HE3 LYS 60 HE3 LYS 60 3.660 25.139 -19.068 466 HZ1 LYS 60 HZ1 LYS 60 4.834 26.889 -20.310 467 HZ2 LYS 60 HZ2 LYS 60 3.225 26.967 -20.589 468 HZ3 LYS 60 HZ3 LYS 60 4.208 26.340 -21.736 469 H LYS 61 H LYS 61 0.354 20.660 -20.493 470 HA LYS 61 HA LYS 61 -0.700 22.753 -22.349 471 HB2 LYS 61 HB2 LYS 61 -1.975 21.175 -23.464 472 HB3 LYS 61 HB3 LYS 61 -0.334 20.571 -23.280 473 HG2 LYS 61 HG2 LYS 61 -1.753 18.734 -23.064 474 HG3 LYS 61 HG3 LYS 61 -1.147 19.053 -21.448 475 HD2 LYS 61 HD2 LYS 61 -3.267 19.637 -20.652 476 HD3 LYS 61 HD3 LYS 61 -3.773 20.317 -22.202 477 HE2 LYS 61 HE2 LYS 61 -5.097 18.370 -21.740 478 HE3 LYS 61 HE3 LYS 61 -4.075 18.083 -23.157 479 HZ1 LYS 61 HZ1 LYS 61 -2.602 16.740 -21.798 480 HZ2 LYS 61 HZ2 LYS 61 -4.115 16.183 -21.512 481 HZ3 LYS 61 HZ3 LYS 61 -3.257 17.143 -20.453 482 H ARG 62 H ARG 62 -1.671 21.444 -19.226 483 HA ARG 62 HA ARG 62 -4.257 22.791 -19.340 484 HB2 ARG 62 HB2 ARG 62 -4.653 21.832 -17.365 485 HB3 ARG 62 HB3 ARG 62 -3.298 20.821 -17.819 486 HG2 ARG 62 HG2 ARG 62 -2.680 21.261 -15.676 487 HG3 ARG 62 HG3 ARG 62 -1.891 22.628 -16.480 488 HD2 ARG 62 HD2 ARG 62 -4.378 23.662 -15.905 489 HD3 ARG 62 HD3 ARG 62 -4.165 22.520 -14.578 490 HE ARG 62 HE ARG 62 -1.903 23.638 -14.183 491 HH11 ARG 62 HH11 ARG 62 -4.046 25.624 -16.058 492 HH12 ARG 62 HH12 ARG 62 -3.698 27.048 -15.103 493 HH21 ARG 62 HH21 ARG 62 -1.518 25.333 -13.025 494 HH22 ARG 62 HH22 ARG 62 -2.138 26.922 -13.453 495 H GLY 63 H GLY 63 -1.085 23.914 -18.762 496 HA2 GLY 63 HA2 GLY 63 -0.704 26.276 -19.114 497 HA3 GLY 63 HA3 GLY 63 -2.180 26.660 -18.219 498 H ASP 64 H ASP 64 0.047 24.135 -17.031 499 HA ASP 64 HA ASP 64 0.171 25.649 -14.564 500 HB2 ASP 64 HB2 ASP 64 0.049 23.031 -15.150 501 HB3 ASP 64 HB3 ASP 64 1.807 23.172 -15.045 502 H GLY 65 H GLY 65 2.570 24.670 -16.901 503 HA2 GLY 65 HA2 GLY 65 4.791 25.291 -17.300 504 HA3 GLY 65 HA3 GLY 65 4.472 26.823 -16.468 505 H TYR 66 H TYR 66 6.821 25.099 -16.474 506 HA TYR 66 HA TYR 66 7.160 23.561 -14.191 507 HB2 TYR 66 HB2 TYR 66 9.338 25.300 -15.378 508 HB3 TYR 66 HB3 TYR 66 9.495 23.744 -14.588 509 HD1 TYR 66 HD2 TYR 66 7.901 21.813 -15.717 510 HD2 TYR 66 HD1 TYR 66 9.731 25.186 -17.717 511 HE1 TYR 66 HE2 TYR 66 7.896 20.557 -17.819 512 HE2 TYR 66 HE1 TYR 66 9.699 23.891 -19.871 513 HH TYR 66 HH TYR 66 8.344 20.619 -20.108 514 H VAL 67 H VAL 67 9.030 24.123 -12.617 515 HA VAL 67 HA VAL 67 7.939 25.946 -10.684 516 HB VAL 67 HB VAL 67 9.823 25.455 -9.289 517 HG11 VAL 67 HG11 VAL 67 9.240 22.981 -9.051 518 HG12 VAL 67 HG12 VAL 67 7.847 24.059 -9.189 519 HG13 VAL 67 HG13 VAL 67 8.368 23.081 -10.577 520 HG21 VAL 67 HG21 VAL 67 10.763 23.547 -11.516 521 HG22 VAL 67 HG22 VAL 67 11.669 24.944 -10.886 522 HG23 VAL 67 HG23 VAL 67 11.368 23.563 -9.845 523 H ASP 68 H ASP 68 7.816 27.883 -11.267 524 HA ASP 68 HA ASP 68 10.045 29.682 -11.932 525 HB2 ASP 68 HB2 ASP 68 8.257 31.400 -11.204 526 HB3 ASP 68 HB3 ASP 68 7.978 30.415 -12.646 527 H THR 69 H THR 69 8.263 28.563 -9.028 528 HA THR 69 HA THR 69 10.246 29.896 -7.297 529 HB THR 69 HB THR 69 8.255 30.125 -5.839 530 HG1 THR 69 HG1 THR 69 6.740 29.552 -8.133 531 HG21 THR 69 HG21 THR 69 8.996 32.051 -7.225 532 HG22 THR 69 HG22 THR 69 7.245 32.054 -6.920 533 HG23 THR 69 HG23 THR 69 7.869 31.538 -8.498 534 H GLU 70 H GLU 70 10.765 28.959 -5.423 535 HA GLU 70 HA GLU 70 10.649 26.193 -4.856 536 HB2 GLU 70 HB2 GLU 70 11.194 28.755 -3.406 537 HB3 GLU 70 HB3 GLU 70 10.549 27.504 -2.350 538 HG2 GLU 70 HG2 GLU 70 12.916 27.010 -4.188 539 HG3 GLU 70 HG3 GLU 70 13.085 27.627 -2.537 540 H SER 71 H SER 71 8.363 28.695 -4.012 541 HA SER 71 HA SER 71 6.609 27.043 -2.475 542 HB2 SER 71 HB2 SER 71 6.629 29.669 -2.984 543 HB3 SER 71 HB3 SER 71 5.420 29.223 -4.198 544 HG SER 71 HG SER 71 4.507 29.700 -2.126 545 H LYS 72 H LYS 72 6.833 27.451 -5.978 546 HA LYS 72 HA LYS 72 4.405 25.982 -6.554 547 HB2 LYS 72 HB2 LYS 72 5.228 27.411 -8.258 548 HB3 LYS 72 HB3 LYS 72 6.719 26.473 -8.429 549 HG2 LYS 72 HG2 LYS 72 5.687 24.742 -9.543 550 HG3 LYS 72 HG3 LYS 72 4.203 24.850 -8.617 551 HD2 LYS 72 HD2 LYS 72 3.976 25.257 -11.071 552 HD3 LYS 72 HD3 LYS 72 3.254 26.480 -10.010 553 HE2 LYS 72 HE2 LYS 72 5.001 28.023 -10.373 554 HE3 LYS 72 HE3 LYS 72 6.053 26.812 -11.122 555 HZ1 LYS 72 HZ1 LYS 72 4.828 26.876 -13.061 556 HZ2 LYS 72 HZ2 LYS 72 4.896 28.460 -12.549 557 HZ3 LYS 72 HZ3 LYS 72 3.505 27.585 -12.394 558 H PHE 73 H PHE 73 7.798 25.155 -6.450 559 HA PHE 73 HA PHE 73 7.511 22.331 -6.949 560 HB2 PHE 73 HB2 PHE 73 9.722 23.452 -6.987 561 HB3 PHE 73 HB3 PHE 73 9.597 23.793 -5.278 562 HD1 PHE 73 HD2 PHE 73 8.894 20.621 -7.239 563 HD2 PHE 73 HD1 PHE 73 11.205 22.555 -4.133 564 HE1 PHE 73 HE2 PHE 73 9.778 18.429 -6.515 565 HE2 PHE 73 HE1 PHE 73 12.105 20.370 -3.453 566 HZ PHE 73 HZ PHE 73 11.339 18.290 -4.593 567 H ARG 74 H ARG 74 7.748 23.987 -3.868 568 HA ARG 74 HA ARG 74 7.393 21.862 -2.104 569 HB2 ARG 74 HB2 ARG 74 8.270 24.191 -1.671 570 HB3 ARG 74 HB3 ARG 74 6.620 24.793 -1.704 571 HG2 ARG 74 HG2 ARG 74 7.254 22.546 0.222 572 HG3 ARG 74 HG3 ARG 74 7.961 24.131 0.536 573 HD2 ARG 74 HD2 ARG 74 5.660 25.159 0.344 574 HD3 ARG 74 HD3 ARG 74 4.991 23.535 0.229 575 HE ARG 74 HE ARG 74 5.268 23.240 2.485 576 HH11 ARG 74 HH11 ARG 74 7.313 25.973 1.614 577 HH12 ARG 74 HH12 ARG 74 7.527 26.468 3.261 578 HH21 ARG 74 HH21 ARG 74 5.575 23.950 4.557 579 HH22 ARG 74 HH22 ARG 74 6.497 25.390 4.895 580 H LYS 75 H LYS 75 4.888 23.632 -3.785 581 HA LYS 75 HA LYS 75 2.571 22.768 -2.405 582 HB2 LYS 75 HB2 LYS 75 2.947 24.417 -4.485 583 HB3 LYS 75 HB3 LYS 75 2.792 22.948 -5.445 584 HG2 LYS 75 HG2 LYS 75 0.643 23.876 -5.418 585 HG3 LYS 75 HG3 LYS 75 0.548 22.556 -4.235 586 HD2 LYS 75 HD2 LYS 75 0.951 24.209 -2.406 587 HD3 LYS 75 HD3 LYS 75 1.069 25.500 -3.621 588 HE2 LYS 75 HE2 LYS 75 -1.247 25.058 -4.359 589 HE3 LYS 75 HE3 LYS 75 -1.389 23.727 -3.206 590 HZ1 LYS 75 HZ1 LYS 75 -0.954 26.577 -2.477 591 HZ2 LYS 75 HZ2 LYS 75 -1.107 25.337 -1.408 592 HZ3 LYS 75 HZ3 LYS 75 -2.382 25.776 -2.344 593 H LEU 76 H LEU 76 4.528 21.303 -4.874 594 HA LEU 76 HA LEU 76 2.804 18.936 -5.145 595 HB2 LEU 76 HB2 LEU 76 4.287 20.232 -6.942 596 HB3 LEU 76 HB3 LEU 76 5.601 19.206 -6.355 597 HG LEU 76 HG LEU 76 3.011 17.890 -7.142 598 HD11 LEU 76 HD11 LEU 76 3.682 17.789 -9.505 599 HD12 LEU 76 HD12 LEU 76 5.061 18.861 -9.176 600 HD13 LEU 76 HD13 LEU 76 3.394 19.458 -9.009 601 HD21 LEU 76 HD21 LEU 76 4.939 16.574 -6.268 602 HD22 LEU 76 HD22 LEU 76 5.929 17.144 -7.621 603 HD23 LEU 76 HD23 LEU 76 4.508 16.114 -7.924 604 H VAL 77 H VAL 77 5.946 19.668 -3.840 605 HA VAL 77 HA VAL 77 6.553 17.069 -2.759 606 HB VAL 77 HB VAL 77 7.209 19.792 -1.547 607 HG11 VAL 77 HG11 VAL 77 7.508 18.071 0.176 608 HG12 VAL 77 HG12 VAL 77 8.421 17.066 -0.965 609 HG13 VAL 77 HG13 VAL 77 9.085 18.604 -0.405 610 HG21 VAL 77 HG21 VAL 77 9.426 19.467 -2.570 611 HG22 VAL 77 HG22 VAL 77 8.884 17.944 -3.302 612 HG23 VAL 77 HG23 VAL 77 8.178 19.489 -3.814 613 H THR 78 H THR 78 4.671 19.715 -1.295 614 HA THR 78 HA THR 78 4.131 18.246 1.098 615 HB THR 78 HB THR 78 2.484 20.514 -0.104 616 HG1 THR 78 HG1 THR 78 4.580 21.136 0.187 617 HG21 THR 78 HG21 THR 78 2.757 19.552 2.781 618 HG22 THR 78 HG22 THR 78 1.295 19.435 1.776 619 HG23 THR 78 HG23 THR 78 1.902 21.022 2.266 620 H ALA 79 H ALA 79 2.508 18.330 -2.006 621 HA ALA 79 HA ALA 79 0.181 16.939 -0.885 622 HB1 ALA 79 HB1 ALA 79 -0.641 16.952 -3.229 623 HB2 ALA 79 HB2 ALA 79 -0.041 18.568 -2.792 624 HB3 ALA 79 HB3 ALA 79 0.955 17.488 -3.798 625 H ILE 80 H ILE 80 3.106 16.064 -2.401 626 HA ILE 80 HA ILE 80 2.275 13.253 -2.844 627 HB ILE 80 HB ILE 80 4.918 14.685 -3.217 628 HG12 ILE 80 HG12 ILE 80 3.103 15.219 -4.876 629 HG13 ILE 80 HG13 ILE 80 4.530 14.462 -5.568 630 HG21 ILE 80 HG21 ILE 80 5.441 12.387 -2.631 631 HG22 ILE 80 HG22 ILE 80 4.226 11.770 -3.757 632 HG23 ILE 80 HG23 ILE 80 5.680 12.589 -4.366 633 HD11 ILE 80 HD11 ILE 80 1.900 13.030 -5.014 634 HD12 ILE 80 HD12 ILE 80 2.442 13.663 -6.578 635 HD13 ILE 80 HD13 ILE 80 3.333 12.340 -5.820 636 H LYS 81 H LYS 81 3.914 15.208 -0.404 637 HA LYS 81 HA LYS 81 4.896 13.007 1.209 638 HB2 LYS 81 HB2 LYS 81 5.511 15.468 1.372 639 HB3 LYS 81 HB3 LYS 81 3.985 15.773 2.178 640 HG2 LYS 81 HG2 LYS 81 4.569 14.493 4.087 641 HG3 LYS 81 HG3 LYS 81 5.917 13.697 3.294 642 HD2 LYS 81 HD2 LYS 81 5.783 16.674 3.905 643 HD3 LYS 81 HD3 LYS 81 6.593 15.498 4.937 644 HE2 LYS 81 HE2 LYS 81 7.410 15.623 2.020 645 HE3 LYS 81 HE3 LYS 81 7.869 16.961 3.052 646 HZ1 LYS 81 HZ1 LYS 81 9.083 15.424 4.462 647 HZ2 LYS 81 HZ2 LYS 81 9.562 15.313 2.916 648 HZ3 LYS 81 HZ3 LYS 81 8.645 14.130 3.504 649 H ALA 82 H ALA 82 1.994 14.852 1.162 650 HA ALA 82 HA ALA 82 0.554 13.495 3.291 651 HB1 ALA 82 HB1 ALA 82 -0.097 15.743 2.474 652 HB2 ALA 82 HB2 ALA 82 -0.537 15.052 0.896 653 HB3 ALA 82 HB3 ALA 82 -1.448 14.598 2.352 654 H ALA 83 H ALA 83 0.406 13.086 -0.291 655 HA ALA 83 HA ALA 83 -1.301 10.834 -0.258 656 HB1 ALA 83 HB1 ALA 83 -0.768 12.198 -2.275 657 HB2 ALA 83 HB2 ALA 83 0.878 11.516 -2.275 658 HB3 ALA 83 HB3 ALA 83 -0.520 10.461 -2.557 659 H LEU 84 H LEU 84 2.125 11.035 0.136 660 HA LEU 84 HA LEU 84 2.715 8.220 -0.025 661 HB2 LEU 84 HB2 LEU 84 4.362 10.141 -0.201 662 HB3 LEU 84 HB3 LEU 84 4.276 10.354 1.539 663 HG LEU 84 HG LEU 84 6.237 9.218 0.544 664 HD11 LEU 84 HD11 LEU 84 4.766 7.362 2.427 665 HD12 LEU 84 HD12 LEU 84 5.595 8.848 2.922 666 HD13 LEU 84 HD13 LEU 84 6.519 7.529 2.204 667 HD21 LEU 84 HD21 LEU 84 6.136 7.284 -0.659 668 HD22 LEU 84 HD22 LEU 84 4.619 7.963 -1.132 669 HD23 LEU 84 HD23 LEU 84 4.636 6.702 0.117 670 H ALA 85 H ALA 85 2.409 10.323 2.790 671 HA ALA 85 HA ALA 85 2.367 8.234 4.758 672 HB1 ALA 85 HB1 ALA 85 1.454 9.969 6.271 673 HB2 ALA 85 HB2 ALA 85 2.767 10.628 5.272 674 HB3 ALA 85 HB3 ALA 85 1.074 10.997 4.872 675 H GLN 86 H GLN 86 -0.058 9.196 2.650 676 HA GLN 86 HA GLN 86 -2.322 7.923 4.073 677 HB2 GLN 86 HB2 GLN 86 -2.573 10.074 2.857 678 HB3 GLN 86 HB3 GLN 86 -2.210 9.263 1.340 679 HG2 GLN 86 HG2 GLN 86 -4.275 7.963 1.483 680 HG3 GLN 86 HG3 GLN 86 -4.569 8.570 3.127 681 HE21 GLN 86 HE21 GLN 86 -4.971 9.385 -0.342 682 HE22 GLN 86 HE22 GLN 86 -5.710 10.945 0.113 683 H CYS 87 H CYS 87 -0.210 7.294 1.423 684 HA CYS 87 HA CYS 87 -1.406 4.768 0.594 685 HB2 CYS 87 HB2 CYS 87 0.112 6.385 -0.765 686 HB3 CYS 87 HB3 CYS 87 1.469 5.632 0.088 687 HG CYS 87 HG CYS 87 -0.941 4.181 -1.686 688 H GLN 88 H GLN 88 1.152 5.706 2.841 689 HA GLN 88 HA GLN 88 2.149 3.005 3.233 690 HB2 GLN 88 HB2 GLN 88 2.386 5.580 4.825 691 HB3 GLN 88 HB3 GLN 88 3.028 4.060 5.466 692 HG2 GLN 88 HG2 GLN 88 4.401 3.747 3.433 693 HG3 GLN 88 HG3 GLN 88 3.846 5.321 2.827 694 HE21 GLN 88 HE21 GLN 88 6.684 4.953 3.229 695 HE22 GLN 88 HE22 GLN 88 7.018 5.863 4.707 Start of MODEL 17 1 H1 MET 1 H1 MET 1 3.522 -0.972 -0.656 2 H2 MET 1 H2 MET 1 4.437 -0.987 0.736 3 H3 MET 1 H3 MET 1 3.793 -2.358 0.098 4 HA MET 1 HA MET 1 6.144 -2.228 -0.294 5 HB2 MET 1 HB2 MET 1 4.601 -3.439 -1.851 6 HB3 MET 1 HB3 MET 1 4.595 -2.017 -2.901 7 HG2 MET 1 HG2 MET 1 7.087 -2.180 -3.076 8 HG3 MET 1 HG3 MET 1 7.054 -3.588 -2.007 9 HE1 MET 1 HE1 MET 1 8.108 -5.140 -5.420 10 HE2 MET 1 HE2 MET 1 8.561 -3.543 -4.782 11 HE3 MET 1 HE3 MET 1 8.500 -4.954 -3.696 12 H ALA 2 H ALA 2 5.094 -0.055 -2.949 13 HA ALA 2 HA ALA 2 6.409 2.277 -1.839 14 HB1 ALA 2 HB1 ALA 2 7.883 2.572 -3.828 15 HB2 ALA 2 HB2 ALA 2 8.341 1.131 -2.907 16 HB3 ALA 2 HB3 ALA 2 7.413 0.973 -4.421 17 H LEU 3 H LEU 3 6.175 4.007 -3.784 18 HA LEU 3 HA LEU 3 3.634 3.553 -5.245 19 HB2 LEU 3 HB2 LEU 3 3.918 5.625 -3.513 20 HB3 LEU 3 HB3 LEU 3 4.883 6.259 -4.819 21 HG LEU 3 HG LEU 3 2.418 5.230 -5.937 22 HD11 LEU 3 HD11 LEU 3 1.406 5.487 -3.711 23 HD12 LEU 3 HD12 LEU 3 0.794 6.733 -4.815 24 HD13 LEU 3 HD13 LEU 3 2.022 7.147 -3.595 25 HD21 LEU 3 HD21 LEU 3 3.348 8.044 -5.419 26 HD22 LEU 3 HD22 LEU 3 2.246 7.485 -6.728 27 HD23 LEU 3 HD23 LEU 3 3.962 7.059 -6.744 28 H ALA 4 H ALA 4 3.714 4.788 -7.329 29 HA ALA 4 HA ALA 4 6.376 5.134 -8.577 30 HB1 ALA 4 HB1 ALA 4 4.112 3.554 -9.873 31 HB2 ALA 4 HB2 ALA 4 5.658 3.997 -10.637 32 HB3 ALA 4 HB3 ALA 4 5.647 2.882 -9.263 33 H VAL 5 H VAL 5 6.551 6.813 -9.922 34 HA VAL 5 HA VAL 5 4.090 8.441 -10.480 35 HB VAL 5 HB VAL 5 6.684 9.641 -9.557 36 HG11 VAL 5 HG11 VAL 5 4.019 11.014 -9.878 37 HG12 VAL 5 HG12 VAL 5 5.511 11.726 -9.269 38 HG13 VAL 5 HG13 VAL 5 5.426 11.232 -10.951 39 HG21 VAL 5 HG21 VAL 5 5.398 10.222 -7.478 40 HG22 VAL 5 HG22 VAL 5 4.115 9.132 -8.100 41 HG23 VAL 5 HG23 VAL 5 5.696 8.497 -7.704 42 H ARG 6 H ARG 6 4.193 9.792 -12.153 43 HA ARG 6 HA ARG 6 6.122 9.074 -14.328 44 HB2 ARG 6 HB2 ARG 6 3.282 8.387 -14.189 45 HB3 ARG 6 HB3 ARG 6 3.544 9.521 -15.522 46 HG2 ARG 6 HG2 ARG 6 3.868 7.346 -16.449 47 HG3 ARG 6 HG3 ARG 6 5.466 8.100 -16.267 48 HD2 ARG 6 HD2 ARG 6 5.588 6.861 -14.004 49 HD3 ARG 6 HD3 ARG 6 4.218 5.905 -14.572 50 HE ARG 6 HE ARG 6 6.144 5.797 -16.613 51 HH11 ARG 6 HH11 ARG 6 6.337 5.117 -13.159 52 HH12 ARG 6 HH12 ARG 6 7.630 4.014 -13.359 53 HH21 ARG 6 HH21 ARG 6 7.754 4.442 -16.761 54 HH22 ARG 6 HH22 ARG 6 8.474 3.642 -15.356 55 H VAL 7 H VAL 7 6.502 10.508 -15.893 56 HA VAL 7 HA VAL 7 5.181 13.165 -15.957 57 HB VAL 7 HB VAL 7 8.127 12.940 -16.610 58 HG11 VAL 7 HG11 VAL 7 6.843 14.845 -17.492 59 HG12 VAL 7 HG12 VAL 7 6.337 15.279 -15.850 60 HG13 VAL 7 HG13 VAL 7 8.049 15.365 -16.318 61 HG21 VAL 7 HG21 VAL 7 8.430 12.375 -14.444 62 HG22 VAL 7 HG22 VAL 7 8.568 14.126 -14.411 63 HG23 VAL 7 HG23 VAL 7 7.072 13.328 -13.847 64 H VAL 8 H VAL 8 3.962 12.745 -17.767 65 HA VAL 8 HA VAL 8 5.182 11.628 -20.240 66 HB VAL 8 HB VAL 8 2.649 13.291 -19.955 67 HG11 VAL 8 HG11 VAL 8 3.748 11.619 -22.271 68 HG12 VAL 8 HG12 VAL 8 2.130 12.360 -22.214 69 HG13 VAL 8 HG13 VAL 8 3.560 13.389 -22.243 70 HG21 VAL 8 HG21 VAL 8 3.028 10.271 -20.202 71 HG22 VAL 8 HG22 VAL 8 2.399 11.138 -18.781 72 HG23 VAL 8 HG23 VAL 8 1.470 11.124 -20.283 73 H TYR 9 H TYR 9 6.289 12.834 -21.760 74 HA TYR 9 HA TYR 9 5.779 15.636 -21.975 75 HB2 TYR 9 HB2 TYR 9 7.609 15.564 -20.248 76 HB3 TYR 9 HB3 TYR 9 8.654 14.761 -21.409 77 HD1 TYR 9 HD1 TYR 9 6.347 17.698 -21.974 78 HD2 TYR 9 HD2 TYR 9 10.409 16.344 -21.569 79 HE1 TYR 9 HE1 TYR 9 7.148 20.002 -22.419 80 HE2 TYR 9 HE2 TYR 9 11.222 18.654 -21.956 81 HH TYR 9 HH TYR 9 10.606 20.780 -22.548 82 H SER 10 H SER 10 7.569 16.347 -24.029 83 HA SER 10 HA SER 10 7.390 14.133 -25.961 84 HB2 SER 10 HB2 SER 10 7.681 15.776 -27.660 85 HB3 SER 10 HB3 SER 10 6.266 16.186 -26.677 86 HG SER 10 HG SER 10 7.881 17.901 -27.265 87 H GLY 11 H GLY 11 9.205 13.807 -27.221 88 HA2 GLY 11 HA2 GLY 11 11.797 13.762 -25.993 89 HA3 GLY 11 HA3 GLY 11 11.438 13.337 -27.673 90 H ALA 12 H ALA 12 11.098 16.482 -26.067 91 HA ALA 12 HA ALA 12 11.961 18.037 -28.268 92 HB1 ALA 12 HB1 ALA 12 10.308 18.677 -26.534 93 HB2 ALA 12 HB2 ALA 12 11.617 18.775 -25.333 94 HB3 ALA 12 HB3 ALA 12 11.578 19.899 -26.709 95 H CYS 13 H CYS 13 14.199 16.289 -27.346 96 HA CYS 13 HA CYS 13 16.381 16.216 -26.680 97 HB2 CYS 13 HB2 CYS 13 16.489 17.809 -28.675 98 HB3 CYS 13 HB3 CYS 13 16.655 19.124 -27.493 99 HG CYS 13 HG CYS 13 19.009 18.445 -28.543 100 H GLY 14 H GLY 14 18.104 17.542 -25.261 101 HA2 GLY 14 HA2 GLY 14 18.779 18.178 -23.163 102 HA3 GLY 14 HA3 GLY 14 17.520 19.396 -23.350 103 H TYR 15 H TYR 15 15.562 16.910 -23.056 104 HA TYR 15 HA TYR 15 14.637 17.676 -20.680 105 HB2 TYR 15 HB2 TYR 15 13.062 15.909 -20.749 106 HB3 TYR 15 HB3 TYR 15 13.430 16.341 -22.414 107 HD1 TYR 15 HD2 TYR 15 14.816 14.796 -23.835 108 HD2 TYR 15 HD1 TYR 15 13.477 13.703 -19.884 109 HE1 TYR 15 HE2 TYR 15 15.339 12.411 -24.318 110 HE2 TYR 15 HE1 TYR 15 13.977 11.310 -20.376 111 HH TYR 15 HH TYR 15 14.701 10.210 -23.540 112 H LYS 16 H LYS 16 16.695 14.820 -20.940 113 HA LYS 16 HA LYS 16 16.299 13.631 -18.519 114 HB2 LYS 16 HB2 LYS 16 18.942 13.790 -20.023 115 HB3 LYS 16 HB3 LYS 16 18.682 12.788 -18.580 116 HG2 LYS 16 HG2 LYS 16 16.706 11.733 -19.769 117 HG3 LYS 16 HG3 LYS 16 17.238 12.569 -21.249 118 HD2 LYS 16 HD2 LYS 16 19.401 11.375 -21.147 119 HD3 LYS 16 HD3 LYS 16 18.919 10.615 -19.611 120 HE2 LYS 16 HE2 LYS 16 16.920 9.626 -20.797 121 HE3 LYS 16 HE3 LYS 16 17.556 10.259 -22.322 122 HZ1 LYS 16 HZ1 LYS 16 18.176 7.940 -21.952 123 HZ2 LYS 16 HZ2 LYS 16 18.940 8.312 -20.550 124 HZ3 LYS 16 HZ3 LYS 16 19.536 8.869 -21.979 125 HA PRO 17 HA PRO 17 19.243 16.103 -15.790 126 HB2 PRO 17 HB2 PRO 17 20.086 18.631 -16.573 127 HB3 PRO 17 HB3 PRO 17 21.022 17.123 -16.814 128 HG2 PRO 17 HG2 PRO 17 19.193 18.517 -18.797 129 HG3 PRO 17 HG3 PRO 17 20.860 17.908 -19.067 130 HD2 PRO 17 HD2 PRO 17 18.749 16.427 -19.821 131 HD3 PRO 17 HD3 PRO 17 20.138 15.647 -19.017 132 H LYS 18 H LYS 18 16.865 18.143 -17.741 133 HA LYS 18 HA LYS 18 16.165 19.530 -15.240 134 HB2 LYS 18 HB2 LYS 18 15.807 20.438 -17.633 135 HB3 LYS 18 HB3 LYS 18 14.288 19.535 -17.619 136 HG2 LYS 18 HG2 LYS 18 15.001 21.391 -15.303 137 HG3 LYS 18 HG3 LYS 18 14.473 22.098 -16.817 138 HD2 LYS 18 HD2 LYS 18 12.283 21.250 -16.647 139 HD3 LYS 18 HD3 LYS 18 12.755 19.997 -15.520 140 HE2 LYS 18 HE2 LYS 18 11.568 21.446 -14.178 141 HE3 LYS 18 HE3 LYS 18 13.247 21.796 -13.788 142 HZ1 LYS 18 HZ1 LYS 18 11.798 23.803 -14.065 143 HZ2 LYS 18 HZ2 LYS 18 11.579 23.449 -15.637 144 HZ3 LYS 18 HZ3 LYS 18 13.081 23.822 -15.094 145 H TYR 19 H TYR 19 15.014 16.668 -16.899 146 HA TYR 19 HA TYR 19 12.802 15.971 -15.214 147 HB2 TYR 19 HB2 TYR 19 14.586 14.586 -17.138 148 HB3 TYR 19 HB3 TYR 19 14.064 13.568 -15.807 149 HD1 TYR 19 HD2 TYR 19 12.397 16.159 -18.012 150 HD2 TYR 19 HD1 TYR 19 12.311 12.175 -16.340 151 HE1 TYR 19 HE2 TYR 19 10.250 15.664 -19.220 152 HE2 TYR 19 HE1 TYR 19 10.225 11.699 -17.583 153 HH TYR 19 HH TYR 19 8.399 12.700 -18.815 154 H LEU 20 H LEU 20 16.205 14.845 -14.980 155 HA LEU 20 HA LEU 20 16.104 13.647 -12.436 156 HB2 LEU 20 HB2 LEU 20 18.282 15.120 -13.877 157 HB3 LEU 20 HB3 LEU 20 18.619 14.267 -12.424 158 HG LEU 20 HG LEU 20 17.550 12.885 -14.927 159 HD11 LEU 20 HD11 LEU 20 19.829 13.781 -15.267 160 HD12 LEU 20 HD12 LEU 20 19.846 12.014 -15.160 161 HD13 LEU 20 HD13 LEU 20 20.366 12.989 -13.768 162 HD21 LEU 20 HD21 LEU 20 18.657 11.784 -12.316 163 HD22 LEU 20 HD22 LEU 20 18.289 10.821 -13.763 164 HD23 LEU 20 HD23 LEU 20 16.984 11.644 -12.897 165 H GLN 21 H GLN 21 16.823 17.116 -13.180 166 HA GLN 21 HA GLN 21 17.527 17.817 -10.581 167 HB2 GLN 21 HB2 GLN 21 18.046 19.016 -12.658 168 HB3 GLN 21 HB3 GLN 21 16.347 19.424 -12.925 169 HG2 GLN 21 HG2 GLN 21 17.760 20.201 -10.400 170 HG3 GLN 21 HG3 GLN 21 18.103 21.119 -11.887 171 HE21 GLN 21 HE21 GLN 21 17.100 22.528 -9.760 172 HE22 GLN 21 HE22 GLN 21 15.451 23.001 -10.222 173 H LEU 22 H LEU 22 14.298 17.489 -11.973 174 HA LEU 22 HA LEU 22 13.040 18.368 -9.434 175 HB2 LEU 22 HB2 LEU 22 11.867 18.758 -11.567 176 HB3 LEU 22 HB3 LEU 22 11.877 17.020 -11.905 177 HG LEU 22 HG LEU 22 10.423 16.604 -9.945 178 HD11 LEU 22 HD11 LEU 22 11.035 18.421 -8.441 179 HD12 LEU 22 HD12 LEU 22 9.320 18.557 -8.818 180 HD13 LEU 22 HD13 LEU 22 10.488 19.632 -9.618 181 HD21 LEU 22 HD21 LEU 22 9.404 17.032 -12.138 182 HD22 LEU 22 HD22 LEU 22 9.347 18.775 -11.792 183 HD23 LEU 22 HD23 LEU 22 8.380 17.635 -10.830 184 H LYS 23 H LYS 23 13.832 15.342 -11.150 185 HA LYS 23 HA LYS 23 12.365 13.576 -9.449 186 HB2 LYS 23 HB2 LYS 23 13.803 13.298 -11.827 187 HB3 LYS 23 HB3 LYS 23 14.851 12.470 -10.667 188 HG2 LYS 23 HG2 LYS 23 11.990 11.849 -10.573 189 HG3 LYS 23 HG3 LYS 23 12.819 11.311 -12.027 190 HD2 LYS 23 HD2 LYS 23 14.055 10.671 -9.324 191 HD3 LYS 23 HD3 LYS 23 12.673 9.754 -9.867 192 HE2 LYS 23 HE2 LYS 23 13.987 9.561 -12.140 193 HE3 LYS 23 HE3 LYS 23 15.378 9.898 -11.071 194 HZ1 LYS 23 HZ1 LYS 23 14.404 8.066 -9.643 195 HZ2 LYS 23 HZ2 LYS 23 15.009 7.490 -11.068 196 HZ3 LYS 23 HZ3 LYS 23 13.370 7.716 -10.810 197 H GLU 24 H GLU 24 15.823 14.198 -9.494 198 HA GLU 24 HA GLU 24 16.817 12.907 -7.247 199 HB2 GLU 24 HB2 GLU 24 18.100 14.324 -8.905 200 HB3 GLU 24 HB3 GLU 24 17.351 15.750 -8.216 201 HG2 GLU 24 HG2 GLU 24 18.696 14.227 -6.099 202 HG3 GLU 24 HG3 GLU 24 19.797 14.550 -7.448 203 H LYS 25 H LYS 25 15.154 16.028 -7.232 204 HA LYS 25 HA LYS 25 15.361 16.505 -4.382 205 HB2 LYS 25 HB2 LYS 25 14.221 17.825 -6.737 206 HB3 LYS 25 HB3 LYS 25 12.956 17.697 -5.533 207 HG2 LYS 25 HG2 LYS 25 14.090 19.808 -5.287 208 HG3 LYS 25 HG3 LYS 25 14.338 18.777 -3.861 209 HD2 LYS 25 HD2 LYS 25 16.367 20.066 -4.561 210 HD3 LYS 25 HD3 LYS 25 16.617 18.313 -4.515 211 HE2 LYS 25 HE2 LYS 25 16.225 18.215 -6.981 212 HE3 LYS 25 HE3 LYS 25 16.095 19.983 -7.032 213 HZ1 LYS 25 HZ1 LYS 25 18.444 20.042 -6.269 214 HZ2 LYS 25 HZ2 LYS 25 18.376 18.916 -7.504 215 HZ3 LYS 25 HZ3 LYS 25 18.403 18.403 -6.042 216 H LEU 26 H LEU 26 12.770 15.130 -6.279 217 HA LEU 26 HA LEU 26 10.924 14.711 -4.138 218 HB2 LEU 26 HB2 LEU 26 11.180 14.183 -7.057 219 HB3 LEU 26 HB3 LEU 26 10.411 12.862 -6.196 220 HG LEU 26 HG LEU 26 8.871 14.437 -5.137 221 HD11 LEU 26 HD11 LEU 26 10.138 16.543 -5.359 222 HD12 LEU 26 HD12 LEU 26 8.577 16.719 -6.165 223 HD13 LEU 26 HD13 LEU 26 10.044 16.434 -7.134 224 HD21 LEU 26 HD21 LEU 26 8.887 14.358 -8.186 225 HD22 LEU 26 HD22 LEU 26 7.487 14.870 -7.226 226 HD23 LEU 26 HD23 LEU 26 8.095 13.213 -7.074 227 H GLU 27 H GLU 27 13.100 12.480 -5.761 228 HA GLU 27 HA GLU 27 12.783 10.267 -3.965 229 HB2 GLU 27 HB2 GLU 27 14.436 10.997 -6.283 230 HB3 GLU 27 HB3 GLU 27 15.385 10.140 -5.070 231 HG2 GLU 27 HG2 GLU 27 13.770 8.350 -4.948 232 HG3 GLU 27 HG3 GLU 27 12.677 9.171 -6.056 233 H HIS 28 H HIS 28 15.110 13.004 -3.828 234 HA HIS 28 HA HIS 28 16.512 12.019 -1.539 235 HB2 HIS 28 HB2 HIS 28 17.250 13.938 -2.892 236 HB3 HIS 28 HB3 HIS 28 15.894 14.899 -2.299 237 HD1 HIS 28 HD1 HIS 28 17.077 16.649 -0.826 238 HD2 HIS 28 HD2 HIS 28 18.274 12.697 -0.094 239 HE1 HIS 28 HE1 HIS 28 18.691 16.730 1.182 240 H GLU 29 H GLU 29 13.470 13.818 -1.779 241 HA GLU 29 HA GLU 29 13.020 14.016 1.094 242 HB2 GLU 29 HB2 GLU 29 11.617 14.626 -1.449 243 HB3 GLU 29 HB3 GLU 29 10.543 14.097 -0.177 244 HG2 GLU 29 HG2 GLU 29 12.570 16.201 0.562 245 HG3 GLU 29 HG3 GLU 29 11.320 16.671 -0.581 246 H PHE 30 H PHE 30 12.031 11.669 -1.373 247 HA PHE 30 HA PHE 30 10.937 9.883 0.771 248 HB2 PHE 30 HB2 PHE 30 9.884 10.281 -2.043 249 HB3 PHE 30 HB3 PHE 30 9.146 9.348 -0.741 250 HD1 PHE 30 HD2 PHE 30 8.810 10.785 1.534 251 HD2 PHE 30 HD1 PHE 30 9.015 12.413 -2.444 252 HE1 PHE 30 HE2 PHE 30 7.621 12.774 2.304 253 HE2 PHE 30 HE1 PHE 30 7.851 14.469 -1.658 254 HZ PHE 30 HZ PHE 30 7.184 14.680 0.688 255 HA PRO 31 HA PRO 31 13.973 7.787 -2.134 256 HB2 PRO 31 HB2 PRO 31 15.891 6.826 -0.424 257 HB3 PRO 31 HB3 PRO 31 15.924 8.436 -1.200 258 HG2 PRO 31 HG2 PRO 31 14.983 7.716 1.598 259 HG3 PRO 31 HG3 PRO 31 16.006 9.104 1.103 260 HD2 PRO 31 HD2 PRO 31 13.321 9.362 1.555 261 HD3 PRO 31 HD3 PRO 31 14.162 10.290 0.279 262 H GLY 32 H GLY 32 13.512 5.883 -2.734 263 HA2 GLY 32 HA2 GLY 32 12.642 3.733 -2.925 264 HA3 GLY 32 HA3 GLY 32 13.255 3.433 -1.292 265 H CYS 33 H CYS 33 11.342 5.669 -0.357 266 HA CYS 33 HA CYS 33 8.859 4.302 0.026 267 HB2 CYS 33 HB2 CYS 33 9.477 7.264 0.031 268 HB3 CYS 33 HB3 CYS 33 8.009 6.520 0.623 269 HG CYS 33 HG CYS 33 9.737 7.378 2.560 270 H LEU 34 H LEU 34 10.246 5.932 -2.652 271 HA LEU 34 HA LEU 34 7.817 5.581 -4.273 272 HB2 LEU 34 HB2 LEU 34 9.163 8.185 -3.481 273 HB3 LEU 34 HB3 LEU 34 8.655 7.989 -5.139 274 HG LEU 34 HG LEU 34 6.428 7.095 -3.605 275 HD11 LEU 34 HD11 LEU 34 7.463 9.712 -2.545 276 HD12 LEU 34 HD12 LEU 34 7.390 8.160 -1.667 277 HD13 LEU 34 HD13 LEU 34 5.885 8.955 -2.183 278 HD21 LEU 34 HD21 LEU 34 5.322 9.092 -4.534 279 HD22 LEU 34 HD22 LEU 34 6.322 8.235 -5.725 280 HD23 LEU 34 HD23 LEU 34 6.916 9.743 -5.006 281 H ASP 35 H ASP 35 8.107 5.610 -6.323 282 HA ASP 35 HA ASP 35 10.764 5.956 -7.655 283 HB2 ASP 35 HB2 ASP 35 9.869 3.880 -8.377 284 HB3 ASP 35 HB3 ASP 35 8.247 4.469 -8.311 285 H ILE 36 H ILE 36 10.754 7.348 -9.328 286 HA ILE 36 HA ILE 36 8.368 8.524 -10.378 287 HB ILE 36 HB ILE 36 10.722 10.282 -10.111 288 HG12 ILE 36 HG12 ILE 36 9.240 11.660 -8.335 289 HG13 ILE 36 HG13 ILE 36 8.906 10.007 -7.832 290 HG21 ILE 36 HG21 ILE 36 9.290 12.173 -10.621 291 HG22 ILE 36 HG22 ILE 36 9.097 10.911 -11.832 292 HG23 ILE 36 HG23 ILE 36 7.864 11.132 -10.586 293 HD11 ILE 36 HD11 ILE 36 10.914 10.794 -6.671 294 HD12 ILE 36 HD12 ILE 36 11.437 9.616 -7.872 295 HD13 ILE 36 HD13 ILE 36 11.661 11.342 -8.204 296 H CYS 37 H CYS 37 8.472 8.547 -12.391 297 HA CYS 37 HA CYS 37 10.837 8.107 -14.145 298 HB2 CYS 37 HB2 CYS 37 8.504 6.374 -13.432 299 HB3 CYS 37 HB3 CYS 37 8.916 6.442 -15.155 300 HG CYS 37 HG CYS 37 10.624 5.456 -12.500 301 H GLY 38 H GLY 38 9.820 8.046 -16.470 302 HA2 GLY 38 HA2 GLY 38 7.318 9.154 -17.028 303 HA3 GLY 38 HA3 GLY 38 8.493 10.487 -17.110 304 H GLU 39 H GLU 39 7.022 9.764 -19.320 305 HA GLU 39 HA GLU 39 8.853 8.204 -21.072 306 HB2 GLU 39 HB2 GLU 39 5.874 8.077 -20.726 307 HB3 GLU 39 HB3 GLU 39 6.715 7.458 -22.142 308 HG2 GLU 39 HG2 GLU 39 6.411 5.551 -20.828 309 HG3 GLU 39 HG3 GLU 39 8.106 5.973 -20.657 310 H GLY 40 H GLY 40 9.720 9.881 -21.822 311 HA2 GLY 40 HA2 GLY 40 8.492 12.235 -23.041 312 HA3 GLY 40 HA3 GLY 40 10.198 11.817 -23.127 313 H THR 41 H THR 41 7.035 10.984 -24.386 314 HA THR 41 HA THR 41 7.776 9.249 -26.507 315 HB THR 41 HB THR 41 5.562 9.172 -25.747 316 HG1 THR 41 HG1 THR 41 4.333 9.575 -27.587 317 HG21 THR 41 HG21 THR 41 5.271 12.123 -26.434 318 HG22 THR 41 HG22 THR 41 5.153 11.366 -24.833 319 HG23 THR 41 HG23 THR 41 3.912 11.042 -26.037 320 HA PRO 42 HA PRO 42 9.136 12.062 -29.725 321 HB2 PRO 42 HB2 PRO 42 8.581 10.654 -32.011 322 HB3 PRO 42 HB3 PRO 42 9.914 10.240 -30.888 323 HG2 PRO 42 HG2 PRO 42 7.130 9.039 -30.994 324 HG3 PRO 42 HG3 PRO 42 8.705 8.179 -30.934 325 HD2 PRO 42 HD2 PRO 42 7.226 8.590 -28.704 326 HD3 PRO 42 HD3 PRO 42 9.004 8.715 -28.639 327 H GLN 43 H GLN 43 5.857 11.314 -29.149 328 HA GLN 43 HA GLN 43 4.539 12.812 -31.221 329 HB2 GLN 43 HB2 GLN 43 3.816 12.321 -28.308 330 HB3 GLN 43 HB3 GLN 43 2.740 13.083 -29.477 331 HG2 GLN 43 HG2 GLN 43 2.490 11.092 -30.754 332 HG3 GLN 43 HG3 GLN 43 3.875 10.311 -29.989 333 HE21 GLN 43 HE21 GLN 43 0.476 11.384 -29.320 334 HE22 GLN 43 HE22 GLN 43 0.368 10.291 -27.936 335 H VAL 44 H VAL 44 4.985 14.866 -31.713 336 HA VAL 44 HA VAL 44 6.384 16.753 -30.227 337 HB VAL 44 HB VAL 44 5.564 18.441 -31.838 338 HG11 VAL 44 HG11 VAL 44 6.317 15.791 -33.140 339 HG12 VAL 44 HG12 VAL 44 6.523 17.418 -33.819 340 HG13 VAL 44 HG13 VAL 44 7.444 16.936 -32.387 341 HG21 VAL 44 HG21 VAL 44 3.813 16.206 -32.966 342 HG22 VAL 44 HG22 VAL 44 3.223 17.660 -32.126 343 HG23 VAL 44 HG23 VAL 44 4.075 17.811 -33.668 344 H THR 45 H THR 45 3.345 15.823 -29.274 345 HA THR 45 HA THR 45 2.262 18.261 -28.131 346 HB THR 45 HB THR 45 1.040 16.546 -26.693 347 HG1 THR 45 HG1 THR 45 2.553 14.901 -26.929 348 HG21 THR 45 HG21 THR 45 0.033 17.456 -28.776 349 HG22 THR 45 HG22 THR 45 -0.418 15.765 -28.484 350 HG23 THR 45 HG23 THR 45 0.808 16.151 -29.706 351 H GLY 46 H GLY 46 4.233 19.134 -27.309 352 HA2 GLY 46 HA2 GLY 46 5.833 18.022 -25.233 353 HA3 GLY 46 HA3 GLY 46 5.731 19.739 -25.649 354 H PHE 47 H PHE 47 3.495 17.375 -24.246 355 HA PHE 47 HA PHE 47 2.547 19.276 -22.198 356 HB2 PHE 47 HB2 PHE 47 1.544 16.517 -22.962 357 HB3 PHE 47 HB3 PHE 47 0.727 17.701 -21.939 358 HD1 PHE 47 HD1 PHE 47 1.691 19.971 -24.294 359 HD2 PHE 47 HD2 PHE 47 -0.695 16.384 -24.014 360 HE1 PHE 47 HE1 PHE 47 0.350 20.714 -26.222 361 HE2 PHE 47 HE2 PHE 47 -2.051 17.154 -25.955 362 HZ PHE 47 HZ PHE 47 -1.531 19.325 -27.052 363 H PHE 48 H PHE 48 4.295 19.292 -20.835 364 HA PHE 48 HA PHE 48 5.430 17.051 -19.420 365 HB2 PHE 48 HB2 PHE 48 6.370 19.413 -19.730 366 HB3 PHE 48 HB3 PHE 48 5.260 19.911 -18.461 367 HD1 PHE 48 HD2 PHE 48 5.567 19.224 -16.123 368 HD2 PHE 48 HD1 PHE 48 8.354 18.105 -19.216 369 HE1 PHE 48 HE2 PHE 48 7.285 18.730 -14.401 370 HE2 PHE 48 HE1 PHE 48 10.078 17.647 -17.505 371 HZ PHE 48 HZ PHE 48 9.551 17.947 -15.086 372 H GLU 49 H GLU 49 3.618 15.737 -18.656 373 HA GLU 49 HA GLU 49 1.808 17.023 -16.664 374 HB2 GLU 49 HB2 GLU 49 1.400 14.893 -18.794 375 HB3 GLU 49 HB3 GLU 49 0.274 15.259 -17.496 376 HG2 GLU 49 HG2 GLU 49 0.582 17.777 -18.351 377 HG3 GLU 49 HG3 GLU 49 1.113 17.000 -19.816 378 H VAL 50 H VAL 50 1.974 16.436 -14.610 379 HA VAL 50 HA VAL 50 3.627 14.010 -14.121 380 HB VAL 50 HB VAL 50 4.050 16.588 -13.203 381 HG11 VAL 50 HG11 VAL 50 2.409 16.265 -11.349 382 HG12 VAL 50 HG12 VAL 50 3.348 14.863 -10.788 383 HG13 VAL 50 HG13 VAL 50 4.066 16.489 -10.787 384 HG21 VAL 50 HG21 VAL 50 5.919 15.565 -11.972 385 HG22 VAL 50 HG22 VAL 50 5.216 13.958 -12.283 386 HG23 VAL 50 HG23 VAL 50 5.739 15.004 -13.635 387 H THR 51 H THR 51 2.888 12.349 -13.132 388 HA THR 51 HA THR 51 0.200 12.512 -11.833 389 HB THR 51 HB THR 51 0.810 10.087 -13.437 390 HG1 THR 51 HG1 THR 51 1.223 12.083 -14.787 391 HG21 THR 51 HG21 THR 51 -1.510 10.061 -13.950 392 HG22 THR 51 HG22 THR 51 -1.735 11.664 -13.241 393 HG23 THR 51 HG23 THR 51 -1.272 10.277 -12.207 394 H VAL 52 H VAL 52 0.121 11.434 -9.938 395 HA VAL 52 HA VAL 52 2.294 9.548 -9.139 396 HB VAL 52 HB VAL 52 2.386 11.604 -7.913 397 HG11 VAL 52 HG11 VAL 52 0.647 12.489 -6.490 398 HG12 VAL 52 HG12 VAL 52 -0.106 12.209 -8.061 399 HG13 VAL 52 HG13 VAL 52 -0.385 11.072 -6.740 400 HG21 VAL 52 HG21 VAL 52 2.052 10.906 -5.520 401 HG22 VAL 52 HG22 VAL 52 1.365 9.391 -6.084 402 HG23 VAL 52 HG23 VAL 52 3.050 9.850 -6.454 403 H ALA 53 H ALA 53 1.715 7.494 -9.161 404 HA ALA 53 HA ALA 53 0.440 5.657 -9.487 405 HB1 ALA 53 HB1 ALA 53 0.596 5.798 -7.061 406 HB2 ALA 53 HB2 ALA 53 -0.920 6.724 -6.986 407 HB3 ALA 53 HB3 ALA 53 -0.917 5.034 -7.538 408 H GLY 54 H GLY 54 -0.759 8.041 -10.860 409 HA2 GLY 54 HA2 GLY 54 -2.584 7.890 -12.527 410 HA3 GLY 54 HA3 GLY 54 -3.485 6.886 -11.394 411 H LYS 55 H LYS 55 -1.947 9.743 -10.181 412 HA LYS 55 HA LYS 55 -4.473 11.359 -10.245 413 HB2 LYS 55 HB2 LYS 55 -2.440 11.214 -8.068 414 HB3 LYS 55 HB3 LYS 55 -3.743 12.382 -8.119 415 HG2 LYS 55 HG2 LYS 55 -4.094 9.348 -7.909 416 HG3 LYS 55 HG3 LYS 55 -4.161 10.508 -6.569 417 HD2 LYS 55 HD2 LYS 55 -6.063 11.679 -7.748 418 HD3 LYS 55 HD3 LYS 55 -6.067 10.358 -8.944 419 HE2 LYS 55 HE2 LYS 55 -6.449 8.716 -7.124 420 HE3 LYS 55 HE3 LYS 55 -6.438 10.026 -5.932 421 HZ1 LYS 55 HZ1 LYS 55 -8.370 9.764 -8.165 422 HZ2 LYS 55 HZ2 LYS 55 -8.370 10.975 -7.054 423 HZ3 LYS 55 HZ3 LYS 55 -8.703 9.432 -6.586 424 H LEU 56 H LEU 56 -4.121 12.921 -11.784 425 HA LEU 56 HA LEU 56 -1.503 13.973 -12.445 426 HB2 LEU 56 HB2 LEU 56 -3.336 13.858 -13.958 427 HB3 LEU 56 HB3 LEU 56 -4.284 15.009 -12.987 428 HG LEU 56 HG LEU 56 -2.174 16.579 -13.486 429 HD11 LEU 56 HD11 LEU 56 -1.207 16.082 -15.734 430 HD12 LEU 56 HD12 LEU 56 -2.043 14.521 -15.763 431 HD13 LEU 56 HD13 LEU 56 -0.772 14.830 -14.568 432 HD21 LEU 56 HD21 LEU 56 -3.297 17.269 -15.595 433 HD22 LEU 56 HD22 LEU 56 -4.450 16.968 -14.271 434 HD23 LEU 56 HD23 LEU 56 -4.239 15.755 -15.554 435 H VAL 57 H VAL 57 -0.477 15.470 -11.576 436 HA VAL 57 HA VAL 57 -1.652 17.054 -9.270 437 HB VAL 57 HB VAL 57 1.291 16.415 -9.442 438 HG11 VAL 57 HG11 VAL 57 -0.605 16.992 -7.134 439 HG12 VAL 57 HG12 VAL 57 1.118 16.588 -6.970 440 HG13 VAL 57 HG13 VAL 57 0.669 18.067 -7.797 441 HG21 VAL 57 HG21 VAL 57 0.956 14.510 -7.898 442 HG22 VAL 57 HG22 VAL 57 -0.802 14.601 -8.201 443 HG23 VAL 57 HG23 VAL 57 0.337 14.204 -9.512 444 H HIS 58 H HIS 58 -0.003 17.143 -12.211 445 HA HIS 58 HA HIS 58 0.396 20.092 -12.276 446 HB2 HIS 58 HB2 HIS 58 2.354 18.725 -11.272 447 HB3 HIS 58 HB3 HIS 58 2.500 18.054 -12.901 448 HD1 HIS 58 HD1 HIS 58 2.157 21.867 -12.091 449 HD2 HIS 58 HD2 HIS 58 4.686 18.938 -13.800 450 HE1 HIS 58 HE1 HIS 58 4.182 23.090 -12.990 451 H SER 59 H SER 59 0.662 20.863 -14.404 452 HA SER 59 HA SER 59 0.711 19.078 -16.728 453 HB2 SER 59 HB2 SER 59 -1.770 19.241 -15.885 454 HB3 SER 59 HB3 SER 59 -1.628 20.894 -16.309 455 HG SER 59 HG SER 59 -1.640 18.737 -18.106 456 H LYS 60 H LYS 60 2.327 20.240 -17.900 457 HA LYS 60 HA LYS 60 2.281 23.024 -18.407 458 HB2 LYS 60 HB2 LYS 60 3.310 20.593 -19.756 459 HB3 LYS 60 HB3 LYS 60 3.035 21.924 -20.863 460 HG2 LYS 60 HG2 LYS 60 4.616 22.233 -18.282 461 HG3 LYS 60 HG3 LYS 60 5.364 21.720 -19.796 462 HD2 LYS 60 HD2 LYS 60 3.916 24.366 -19.452 463 HD3 LYS 60 HD3 LYS 60 5.667 24.113 -19.301 464 HE2 LYS 60 HE2 LYS 60 5.328 22.898 -21.672 465 HE3 LYS 60 HE3 LYS 60 3.895 23.931 -21.741 466 HZ1 LYS 60 HZ1 LYS 60 5.498 25.823 -21.294 467 HZ2 LYS 60 HZ2 LYS 60 5.759 25.061 -22.737 468 HZ3 LYS 60 HZ3 LYS 60 6.734 24.737 -21.466 469 H LYS 61 H LYS 61 0.255 20.579 -20.029 470 HA LYS 61 HA LYS 61 -0.775 22.585 -21.898 471 HB2 LYS 61 HB2 LYS 61 -2.105 20.926 -22.911 472 HB3 LYS 61 HB3 LYS 61 -0.488 20.311 -22.606 473 HG2 LYS 61 HG2 LYS 61 -1.939 18.532 -22.252 474 HG3 LYS 61 HG3 LYS 61 -1.381 19.018 -20.657 475 HD2 LYS 61 HD2 LYS 61 -3.509 19.660 -19.980 476 HD3 LYS 61 HD3 LYS 61 -3.964 20.226 -21.590 477 HE2 LYS 61 HE2 LYS 61 -5.326 18.326 -20.963 478 HE3 LYS 61 HE3 LYS 61 -4.328 17.956 -22.376 479 HZ1 LYS 61 HZ1 LYS 61 -3.509 17.123 -19.632 480 HZ2 LYS 61 HZ2 LYS 61 -2.835 16.689 -20.956 481 HZ3 LYS 61 HZ3 LYS 61 -4.348 16.129 -20.674 482 H ARG 62 H ARG 62 -2.033 21.513 -18.752 483 HA ARG 62 HA ARG 62 -4.484 23.061 -19.129 484 HB2 ARG 62 HB2 ARG 62 -5.090 22.281 -17.145 485 HB3 ARG 62 HB3 ARG 62 -3.837 21.094 -17.449 486 HG2 ARG 62 HG2 ARG 62 -3.316 21.597 -15.290 487 HG3 ARG 62 HG3 ARG 62 -2.338 22.837 -16.110 488 HD2 ARG 62 HD2 ARG 62 -4.733 24.103 -15.741 489 HD3 ARG 62 HD3 ARG 62 -4.703 23.044 -14.338 490 HE ARG 62 HE ARG 62 -2.388 23.990 -13.841 491 HH11 ARG 62 HH11 ARG 62 -4.143 26.004 -16.038 492 HH12 ARG 62 HH12 ARG 62 -3.672 27.478 -15.218 493 HH21 ARG 62 HH21 ARG 62 -1.830 25.704 -12.860 494 HH22 ARG 62 HH22 ARG 62 -2.116 27.299 -13.556 495 H GLY 63 H GLY 63 -1.306 23.960 -18.634 496 HA2 GLY 63 HA2 GLY 63 -0.529 26.206 -18.720 497 HA3 GLY 63 HA3 GLY 63 -2.060 26.799 -18.055 498 H ASP 64 H ASP 64 -0.259 24.046 -16.624 499 HA ASP 64 HA ASP 64 0.022 25.580 -14.149 500 HB2 ASP 64 HB2 ASP 64 -0.602 22.980 -14.660 501 HB3 ASP 64 HB3 ASP 64 1.139 22.823 -14.431 502 H GLY 65 H GLY 65 2.090 24.912 -16.849 503 HA2 GLY 65 HA2 GLY 65 4.245 25.798 -17.234 504 HA3 GLY 65 HA3 GLY 65 4.364 26.229 -15.526 505 H TYR 66 H TYR 66 6.403 25.240 -15.832 506 HA TYR 66 HA TYR 66 6.505 22.324 -15.230 507 HB2 TYR 66 HB2 TYR 66 8.810 24.291 -15.482 508 HB3 TYR 66 HB3 TYR 66 8.861 22.545 -15.441 509 HD1 TYR 66 HD2 TYR 66 8.027 21.188 -17.420 510 HD2 TYR 66 HD1 TYR 66 8.595 25.462 -17.534 511 HE1 TYR 66 HE2 TYR 66 8.034 21.108 -19.903 512 HE2 TYR 66 HE1 TYR 66 8.608 25.393 -20.029 513 HH TYR 66 HH TYR 66 8.526 22.386 -21.843 514 H VAL 67 H VAL 67 8.474 22.279 -13.350 515 HA VAL 67 HA VAL 67 7.791 24.142 -11.173 516 HB VAL 67 HB VAL 67 9.840 23.615 -10.068 517 HG11 VAL 67 HG11 VAL 67 7.675 22.530 -9.573 518 HG12 VAL 67 HG12 VAL 67 8.062 21.216 -10.698 519 HG13 VAL 67 HG13 VAL 67 9.038 21.454 -9.233 520 HG21 VAL 67 HG21 VAL 67 11.100 21.554 -10.610 521 HG22 VAL 67 HG22 VAL 67 10.175 21.347 -12.111 522 HG23 VAL 67 HG23 VAL 67 11.288 22.724 -11.896 523 H ASP 68 H ASP 68 7.865 26.047 -11.701 524 HA ASP 68 HA ASP 68 10.130 27.448 -12.976 525 HB2 ASP 68 HB2 ASP 68 7.216 27.980 -12.623 526 HB3 ASP 68 HB3 ASP 68 8.338 29.047 -13.418 527 H THR 69 H THR 69 8.575 26.962 -9.936 528 HA THR 69 HA THR 69 10.007 29.194 -8.666 529 HB THR 69 HB THR 69 7.191 29.120 -7.841 530 HG1 THR 69 HG1 THR 69 7.968 30.279 -10.300 531 HG21 THR 69 HG21 THR 69 7.476 31.573 -7.743 532 HG22 THR 69 HG22 THR 69 9.083 31.419 -8.477 533 HG23 THR 69 HG23 THR 69 8.767 30.743 -6.861 534 H GLU 70 H GLU 70 9.842 29.121 -6.366 535 HA GLU 70 HA GLU 70 10.134 26.594 -5.105 536 HB2 GLU 70 HB2 GLU 70 10.573 29.163 -4.378 537 HB3 GLU 70 HB3 GLU 70 9.040 29.004 -3.579 538 HG2 GLU 70 HG2 GLU 70 11.384 27.120 -3.091 539 HG3 GLU 70 HG3 GLU 70 11.024 28.542 -2.113 540 H SER 71 H SER 71 7.545 28.788 -5.014 541 HA SER 71 HA SER 71 5.596 27.256 -3.591 542 HB2 SER 71 HB2 SER 71 5.381 29.669 -4.403 543 HB3 SER 71 HB3 SER 71 4.776 29.018 -5.936 544 HG SER 71 HG SER 71 3.183 29.494 -4.125 545 H LYS 72 H LYS 72 6.435 27.102 -6.975 546 HA LYS 72 HA LYS 72 4.261 25.338 -7.728 547 HB2 LYS 72 HB2 LYS 72 5.815 26.955 -9.230 548 HB3 LYS 72 HB3 LYS 72 6.740 25.458 -9.416 549 HG2 LYS 72 HG2 LYS 72 5.259 24.915 -11.051 550 HG3 LYS 72 HG3 LYS 72 4.125 24.549 -9.782 551 HD2 LYS 72 HD2 LYS 72 2.945 26.018 -11.220 552 HD3 LYS 72 HD3 LYS 72 3.409 27.015 -9.844 553 HE2 LYS 72 HE2 LYS 72 3.881 28.326 -11.772 554 HE3 LYS 72 HE3 LYS 72 5.459 27.760 -11.206 555 HZ1 LYS 72 HZ1 LYS 72 5.287 25.951 -12.888 556 HZ2 LYS 72 HZ2 LYS 72 5.290 27.375 -13.626 557 HZ3 LYS 72 HZ3 LYS 72 3.877 26.535 -13.413 558 H PHE 73 H PHE 73 7.635 24.883 -6.864 559 HA PHE 73 HA PHE 73 7.707 21.993 -7.187 560 HB2 PHE 73 HB2 PHE 73 9.749 23.274 -7.207 561 HB3 PHE 73 HB3 PHE 73 9.386 24.016 -5.662 562 HD1 PHE 73 HD2 PHE 73 9.688 20.504 -7.038 563 HD2 PHE 73 HD1 PHE 73 10.613 23.258 -3.843 564 HE1 PHE 73 HE2 PHE 73 10.921 18.721 -5.855 565 HE2 PHE 73 HE1 PHE 73 11.887 21.473 -2.686 566 HZ PHE 73 HZ PHE 73 12.001 19.192 -3.659 567 H ARG 74 H ARG 74 7.302 24.092 -4.328 568 HA ARG 74 HA ARG 74 6.859 22.173 -2.388 569 HB2 ARG 74 HB2 ARG 74 7.299 24.684 -2.344 570 HB3 ARG 74 HB3 ARG 74 5.569 24.942 -2.534 571 HG2 ARG 74 HG2 ARG 74 5.107 24.160 -0.345 572 HG3 ARG 74 HG3 ARG 74 6.668 23.296 -0.219 573 HD2 ARG 74 HD2 ARG 74 7.920 25.332 -0.207 574 HD3 ARG 74 HD3 ARG 74 6.508 26.310 -0.619 575 HE ARG 74 HE ARG 74 5.949 25.070 1.847 576 HH11 ARG 74 HH11 ARG 74 8.273 27.355 0.540 577 HH12 ARG 74 HH12 ARG 74 8.491 28.201 2.038 578 HH21 ARG 74 HH21 ARG 74 6.197 26.265 3.788 579 HH22 ARG 74 HH22 ARG 74 7.327 27.590 3.819 580 H LYS 75 H LYS 75 4.374 23.501 -4.540 581 HA LYS 75 HA LYS 75 2.067 22.327 -3.472 582 HB2 LYS 75 HB2 LYS 75 1.972 24.159 -5.035 583 HB3 LYS 75 HB3 LYS 75 3.119 23.397 -6.136 584 HG2 LYS 75 HG2 LYS 75 0.907 23.433 -7.125 585 HG3 LYS 75 HG3 LYS 75 1.490 21.788 -6.881 586 HD2 LYS 75 HD2 LYS 75 0.223 22.013 -4.552 587 HD3 LYS 75 HD3 LYS 75 -0.582 23.361 -5.332 588 HE2 LYS 75 HE2 LYS 75 -1.939 21.310 -5.528 589 HE3 LYS 75 HE3 LYS 75 -1.428 21.874 -7.126 590 HZ1 LYS 75 HZ1 LYS 75 0.278 20.225 -7.154 591 HZ2 LYS 75 HZ2 LYS 75 -1.119 19.465 -6.837 592 HZ3 LYS 75 HZ3 LYS 75 -0.007 19.746 -5.612 593 H LEU 76 H LEU 76 4.583 21.068 -5.491 594 HA LEU 76 HA LEU 76 3.204 18.462 -5.868 595 HB2 LEU 76 HB2 LEU 76 4.640 19.532 -7.687 596 HB3 LEU 76 HB3 LEU 76 6.044 19.313 -6.657 597 HG LEU 76 HG LEU 76 5.866 16.896 -6.734 598 HD11 LEU 76 HD11 LEU 76 3.465 16.517 -6.890 599 HD12 LEU 76 HD12 LEU 76 4.249 15.791 -8.287 600 HD13 LEU 76 HD13 LEU 76 3.398 17.346 -8.471 601 HD21 LEU 76 HD21 LEU 76 6.333 16.582 -9.134 602 HD22 LEU 76 HD22 LEU 76 7.077 18.067 -8.534 603 HD23 LEU 76 HD23 LEU 76 5.591 18.158 -9.503 604 H VAL 77 H VAL 77 6.015 19.713 -4.258 605 HA VAL 77 HA VAL 77 6.857 17.275 -2.981 606 HB VAL 77 HB VAL 77 6.993 20.099 -1.855 607 HG11 VAL 77 HG11 VAL 77 7.155 18.581 0.060 608 HG12 VAL 77 HG12 VAL 77 8.290 17.544 -0.833 609 HG13 VAL 77 HG13 VAL 77 8.770 19.174 -0.333 610 HG21 VAL 77 HG21 VAL 77 9.347 19.935 -2.497 611 HG22 VAL 77 HG22 VAL 77 9.114 18.281 -3.095 612 HG23 VAL 77 HG23 VAL 77 8.340 19.651 -3.919 613 H THR 78 H THR 78 4.483 19.631 -1.842 614 HA THR 78 HA THR 78 3.800 18.150 0.501 615 HB THR 78 HB THR 78 2.115 20.236 -0.962 616 HG1 THR 78 HG1 THR 78 4.023 21.109 -0.459 617 HG21 THR 78 HG21 THR 78 2.100 19.331 1.962 618 HG22 THR 78 HG22 THR 78 0.788 19.083 0.788 619 HG23 THR 78 HG23 THR 78 1.206 20.720 1.313 620 H ALA 79 H ALA 79 2.702 17.812 -2.793 621 HA ALA 79 HA ALA 79 0.445 16.127 -1.932 622 HB1 ALA 79 HB1 ALA 79 0.015 15.922 -4.381 623 HB2 ALA 79 HB2 ALA 79 0.162 17.626 -3.895 624 HB3 ALA 79 HB3 ALA 79 1.523 16.810 -4.702 625 H ILE 80 H ILE 80 3.711 15.695 -2.938 626 HA ILE 80 HA ILE 80 3.391 12.753 -3.217 627 HB ILE 80 HB ILE 80 5.876 14.467 -3.133 628 HG12 ILE 80 HG12 ILE 80 4.605 15.017 -5.132 629 HG13 ILE 80 HG13 ILE 80 6.040 14.111 -5.548 630 HG21 ILE 80 HG21 ILE 80 5.510 11.533 -3.934 631 HG22 ILE 80 HG22 ILE 80 7.024 12.455 -4.088 632 HG23 ILE 80 HG23 ILE 80 6.333 12.105 -2.497 633 HD11 ILE 80 HD11 ILE 80 4.117 13.464 -6.919 634 HD12 ILE 80 HD12 ILE 80 4.627 12.088 -5.934 635 HD13 ILE 80 HD13 ILE 80 3.187 13.036 -5.476 636 H LYS 81 H LYS 81 4.252 15.116 -0.751 637 HA LYS 81 HA LYS 81 5.168 13.256 1.270 638 HB2 LYS 81 HB2 LYS 81 5.288 15.885 1.195 639 HB3 LYS 81 HB3 LYS 81 3.615 15.872 1.698 640 HG2 LYS 81 HG2 LYS 81 4.424 16.074 3.765 641 HG3 LYS 81 HG3 LYS 81 4.622 14.332 3.684 642 HD2 LYS 81 HD2 LYS 81 6.613 15.293 4.607 643 HD3 LYS 81 HD3 LYS 81 7.020 14.690 3.006 644 HE2 LYS 81 HE2 LYS 81 6.873 16.975 2.079 645 HE3 LYS 81 HE3 LYS 81 6.412 17.596 3.681 646 HZ1 LYS 81 HZ1 LYS 81 8.692 16.640 4.402 647 HZ2 LYS 81 HZ2 LYS 81 8.802 17.888 3.315 648 HZ3 LYS 81 HZ3 LYS 81 8.995 16.416 2.813 649 H ALA 82 H ALA 82 2.081 14.566 0.438 650 HA ALA 82 HA ALA 82 0.469 13.144 2.395 651 HB1 ALA 82 HB1 ALA 82 -1.441 13.836 0.994 652 HB2 ALA 82 HB2 ALA 82 -0.330 15.196 1.254 653 HB3 ALA 82 HB3 ALA 82 -0.333 14.336 -0.303 654 H ALA 83 H ALA 83 1.120 12.483 -1.095 655 HA ALA 83 HA ALA 83 -0.271 10.014 -1.157 656 HB1 ALA 83 HB1 ALA 83 0.401 11.293 -3.177 657 HB2 ALA 83 HB2 ALA 83 2.105 10.898 -2.842 658 HB3 ALA 83 HB3 ALA 83 0.953 9.609 -3.249 659 H LEU 84 H LEU 84 2.941 10.749 -0.106 660 HA LEU 84 HA LEU 84 3.960 8.058 0.144 661 HB2 LEU 84 HB2 LEU 84 5.409 9.960 0.153 662 HB3 LEU 84 HB3 LEU 84 4.637 10.690 1.530 663 HG LEU 84 HG LEU 84 6.949 9.491 1.621 664 HD11 LEU 84 HD11 LEU 84 5.041 9.137 3.946 665 HD12 LEU 84 HD12 LEU 84 5.851 10.659 3.499 666 HD13 LEU 84 HD13 LEU 84 6.809 9.254 3.987 667 HD21 LEU 84 HD21 LEU 84 7.028 7.277 2.443 668 HD22 LEU 84 HD22 LEU 84 6.014 7.215 0.974 669 HD23 LEU 84 HD23 LEU 84 5.284 7.146 2.592 670 H ALA 85 H ALA 85 2.756 10.240 2.607 671 HA ALA 85 HA ALA 85 2.536 8.256 4.650 672 HB1 ALA 85 HB1 ALA 85 2.573 10.711 5.073 673 HB2 ALA 85 HB2 ALA 85 0.943 10.848 4.371 674 HB3 ALA 85 HB3 ALA 85 1.190 9.937 5.879 675 H GLN 86 H GLN 86 0.472 8.750 2.057 676 HA GLN 86 HA GLN 86 -1.816 7.229 3.151 677 HB2 GLN 86 HB2 GLN 86 -2.031 9.124 1.447 678 HB3 GLN 86 HB3 GLN 86 -1.325 8.022 0.260 679 HG2 GLN 86 HG2 GLN 86 -3.255 6.395 0.907 680 HG3 GLN 86 HG3 GLN 86 -3.969 7.775 1.751 681 HE21 GLN 86 HE21 GLN 86 -3.107 6.428 -1.427 682 HE22 GLN 86 HE22 GLN 86 -4.071 7.643 -2.294 683 H CYS 87 H CYS 87 0.598 6.771 0.689 684 HA CYS 87 HA CYS 87 0.151 3.980 0.095 685 HB2 CYS 87 HB2 CYS 87 1.464 5.770 -1.222 686 HB3 CYS 87 HB3 CYS 87 2.808 5.456 -0.113 687 HG CYS 87 HG CYS 87 2.498 2.728 -0.473 688 H GLN 88 H GLN 88 2.053 5.582 2.555 689 HA GLN 88 HA GLN 88 3.646 3.399 3.400 690 HB2 GLN 88 HB2 GLN 88 3.913 5.798 4.004 691 HB3 GLN 88 HB3 GLN 88 2.591 5.638 5.177 692 HG2 GLN 88 HG2 GLN 88 3.890 4.226 6.576 693 HG3 GLN 88 HG3 GLN 88 5.000 3.782 5.266 694 HE21 GLN 88 HE21 GLN 88 6.791 5.230 4.724 695 HE22 GLN 88 HE22 GLN 88 7.085 6.587 5.830 Start of MODEL 18 1 H1 MET 1 H1 MET 1 0.583 2.365 0.382 2 H2 MET 1 H2 MET 1 1.342 1.258 1.322 3 H3 MET 1 H3 MET 1 0.115 0.783 0.358 4 HA MET 1 HA MET 1 2.321 0.171 -0.487 5 HB2 MET 1 HB2 MET 1 0.083 1.325 -1.974 6 HB3 MET 1 HB3 MET 1 1.611 1.562 -2.812 7 HG2 MET 1 HG2 MET 1 2.148 -0.880 -2.404 8 HG3 MET 1 HG3 MET 1 0.499 -1.074 -1.814 9 HE1 MET 1 HE1 MET 1 1.285 -3.068 -3.849 10 HE2 MET 1 HE2 MET 1 -0.408 -2.827 -3.354 11 HE3 MET 1 HE3 MET 1 0.003 -2.948 -5.078 12 H ALA 2 H ALA 2 4.038 0.970 -1.999 13 HA ALA 2 HA ALA 2 5.154 3.587 -1.284 14 HB1 ALA 2 HB1 ALA 2 5.990 1.482 -3.334 15 HB2 ALA 2 HB2 ALA 2 6.905 2.942 -2.903 16 HB3 ALA 2 HB3 ALA 2 6.665 1.670 -1.695 17 H LEU 3 H LEU 3 5.164 5.362 -2.772 18 HA LEU 3 HA LEU 3 2.596 5.408 -4.156 19 HB2 LEU 3 HB2 LEU 3 3.707 7.154 -2.416 20 HB3 LEU 3 HB3 LEU 3 4.296 7.822 -3.959 21 HG LEU 3 HG LEU 3 1.982 7.948 -4.786 22 HD11 LEU 3 HD11 LEU 3 0.124 7.941 -3.134 23 HD12 LEU 3 HD12 LEU 3 1.225 7.228 -1.930 24 HD13 LEU 3 HD13 LEU 3 0.795 6.336 -3.411 25 HD21 LEU 3 HD21 LEU 3 3.174 9.872 -3.779 26 HD22 LEU 3 HD22 LEU 3 2.536 9.436 -2.178 27 HD23 LEU 3 HD23 LEU 3 1.436 9.953 -3.476 28 H ALA 4 H ALA 4 2.501 4.951 -6.112 29 HA ALA 4 HA ALA 4 4.618 4.850 -8.024 30 HB1 ALA 4 HB1 ALA 4 1.611 4.396 -8.270 31 HB2 ALA 4 HB2 ALA 4 2.830 3.825 -9.419 32 HB3 ALA 4 HB3 ALA 4 2.822 3.190 -7.781 33 H VAL 5 H VAL 5 5.484 6.853 -8.853 34 HA VAL 5 HA VAL 5 3.540 8.796 -9.958 35 HB VAL 5 HB VAL 5 6.398 9.370 -9.399 36 HG11 VAL 5 HG11 VAL 5 5.327 11.012 -10.826 37 HG12 VAL 5 HG12 VAL 5 4.036 11.238 -9.627 38 HG13 VAL 5 HG13 VAL 5 5.702 11.709 -9.254 39 HG21 VAL 5 HG21 VAL 5 5.969 10.359 -7.281 40 HG22 VAL 5 HG22 VAL 5 4.223 10.161 -7.447 41 HG23 VAL 5 HG23 VAL 5 5.264 8.753 -7.172 42 H ARG 6 H ARG 6 3.783 9.538 -11.915 43 HA ARG 6 HA ARG 6 5.864 8.613 -13.810 44 HB2 ARG 6 HB2 ARG 6 3.062 7.820 -13.864 45 HB3 ARG 6 HB3 ARG 6 3.336 8.906 -15.217 46 HG2 ARG 6 HG2 ARG 6 3.618 6.557 -15.841 47 HG3 ARG 6 HG3 ARG 6 5.084 7.510 -16.118 48 HD2 ARG 6 HD2 ARG 6 5.574 5.289 -15.201 49 HD3 ARG 6 HD3 ARG 6 6.117 6.583 -14.121 50 HE ARG 6 HE ARG 6 3.509 5.738 -13.373 51 HH11 ARG 6 HH11 ARG 6 6.819 4.331 -13.003 52 HH12 ARG 6 HH12 ARG 6 6.463 4.042 -11.339 53 HH21 ARG 6 HH21 ARG 6 3.319 5.124 -11.237 54 HH22 ARG 6 HH22 ARG 6 4.726 4.280 -10.542 55 H VAL 7 H VAL 7 6.049 9.929 -15.732 56 HA VAL 7 HA VAL 7 4.689 12.500 -15.818 57 HB VAL 7 HB VAL 7 7.686 12.494 -16.208 58 HG11 VAL 7 HG11 VAL 7 7.415 14.930 -16.149 59 HG12 VAL 7 HG12 VAL 7 6.343 14.244 -17.378 60 HG13 VAL 7 HG13 VAL 7 5.670 14.751 -15.831 61 HG21 VAL 7 HG21 VAL 7 7.971 13.767 -14.156 62 HG22 VAL 7 HG22 VAL 7 6.290 13.383 -13.691 63 HG23 VAL 7 HG23 VAL 7 7.497 12.089 -13.865 64 H VAL 8 H VAL 8 3.855 12.430 -17.830 65 HA VAL 8 HA VAL 8 5.336 11.102 -20.076 66 HB VAL 8 HB VAL 8 2.689 12.572 -20.251 67 HG11 VAL 8 HG11 VAL 8 3.849 12.345 -22.418 68 HG12 VAL 8 HG12 VAL 8 4.030 10.594 -22.142 69 HG13 VAL 8 HG13 VAL 8 2.422 11.312 -22.355 70 HG21 VAL 8 HG21 VAL 8 3.127 9.562 -20.063 71 HG22 VAL 8 HG22 VAL 8 2.439 10.566 -18.772 72 HG23 VAL 8 HG23 VAL 8 1.588 10.384 -20.310 73 H TYR 9 H TYR 9 6.455 12.271 -21.665 74 HA TYR 9 HA TYR 9 5.916 15.133 -21.956 75 HB2 TYR 9 HB2 TYR 9 7.594 15.276 -20.220 76 HB3 TYR 9 HB3 TYR 9 8.634 14.130 -21.078 77 HD1 TYR 9 HD1 TYR 9 7.104 17.515 -21.434 78 HD2 TYR 9 HD2 TYR 9 10.406 14.947 -22.386 79 HE1 TYR 9 HE1 TYR 9 8.227 19.423 -22.574 80 HE2 TYR 9 HE2 TYR 9 11.558 16.873 -23.507 81 HH TYR 9 HH TYR 9 11.297 19.017 -24.295 82 H SER 10 H SER 10 6.872 16.021 -23.881 83 HA SER 10 HA SER 10 7.297 14.054 -26.044 84 HB2 SER 10 HB2 SER 10 7.025 15.849 -27.516 85 HB3 SER 10 HB3 SER 10 5.785 15.994 -26.283 86 HG SER 10 HG SER 10 8.235 17.358 -26.073 87 H GLY 11 H GLY 11 9.209 13.149 -25.592 88 HA2 GLY 11 HA2 GLY 11 11.492 14.327 -24.381 89 HA3 GLY 11 HA3 GLY 11 11.380 12.721 -25.103 90 H ALA 12 H ALA 12 11.355 16.014 -26.442 91 HA ALA 12 HA ALA 12 13.079 15.421 -28.689 92 HB1 ALA 12 HB1 ALA 12 11.229 17.058 -28.714 93 HB2 ALA 12 HB2 ALA 12 12.101 18.066 -27.534 94 HB3 ALA 12 HB3 ALA 12 12.775 17.811 -29.158 95 H CYS 13 H CYS 13 14.576 14.533 -26.805 96 HA CYS 13 HA CYS 13 16.486 14.530 -25.571 97 HB2 CYS 13 HB2 CYS 13 17.352 15.341 -27.853 98 HB3 CYS 13 HB3 CYS 13 17.515 16.937 -27.089 99 HG CYS 13 HG CYS 13 19.856 15.631 -27.178 100 H GLY 14 H GLY 14 18.098 16.268 -24.359 101 HA2 GLY 14 HA2 GLY 14 18.400 17.511 -22.452 102 HA3 GLY 14 HA3 GLY 14 17.034 18.494 -22.987 103 H TYR 15 H TYR 15 15.246 16.062 -22.717 104 HA TYR 15 HA TYR 15 14.088 16.765 -20.336 105 HB2 TYR 15 HB2 TYR 15 12.537 14.976 -20.697 106 HB3 TYR 15 HB3 TYR 15 12.966 15.713 -22.240 107 HD1 TYR 15 HD2 TYR 15 14.206 14.451 -23.958 108 HD2 TYR 15 HD1 TYR 15 13.125 12.672 -20.177 109 HE1 TYR 15 HE2 TYR 15 14.793 12.210 -24.846 110 HE2 TYR 15 HE1 TYR 15 13.711 10.423 -21.080 111 HH TYR 15 HH TYR 15 14.627 9.894 -24.421 112 H LYS 16 H LYS 16 16.324 14.087 -20.738 113 HA LYS 16 HA LYS 16 15.879 12.680 -18.348 114 HB2 LYS 16 HB2 LYS 16 18.445 13.072 -19.928 115 HB3 LYS 16 HB3 LYS 16 18.385 12.073 -18.468 116 HG2 LYS 16 HG2 LYS 16 16.178 11.381 -20.254 117 HG3 LYS 16 HG3 LYS 16 17.701 11.336 -21.145 118 HD2 LYS 16 HD2 LYS 16 17.206 9.886 -18.505 119 HD3 LYS 16 HD3 LYS 16 16.994 9.159 -20.107 120 HE2 LYS 16 HE2 LYS 16 19.365 9.607 -20.656 121 HE3 LYS 16 HE3 LYS 16 19.610 10.329 -19.054 122 HZ1 LYS 16 HZ1 LYS 16 18.851 7.501 -19.555 123 HZ2 LYS 16 HZ2 LYS 16 19.059 8.172 -18.071 124 HZ3 LYS 16 HZ3 LYS 16 20.334 8.021 -19.090 125 HA PRO 17 HA PRO 17 18.663 15.111 -15.455 126 HB2 PRO 17 HB2 PRO 17 19.733 17.560 -16.140 127 HB3 PRO 17 HB3 PRO 17 20.569 15.998 -16.407 128 HG2 PRO 17 HG2 PRO 17 18.916 17.587 -18.400 129 HG3 PRO 17 HG3 PRO 17 20.553 16.888 -18.628 130 HD2 PRO 17 HD2 PRO 17 18.360 15.580 -19.515 131 HD3 PRO 17 HD3 PRO 17 19.695 14.683 -18.732 132 H LYS 18 H LYS 18 16.586 17.052 -17.639 133 HA LYS 18 HA LYS 18 15.569 18.852 -15.626 134 HB2 LYS 18 HB2 LYS 18 15.296 19.156 -18.086 135 HB3 LYS 18 HB3 LYS 18 14.170 17.786 -18.125 136 HG2 LYS 18 HG2 LYS 18 12.618 18.990 -16.621 137 HG3 LYS 18 HG3 LYS 18 13.763 20.340 -16.507 138 HD2 LYS 18 HD2 LYS 18 13.525 20.739 -18.946 139 HD3 LYS 18 HD3 LYS 18 12.384 19.377 -19.055 140 HE2 LYS 18 HE2 LYS 18 10.870 20.522 -17.439 141 HE3 LYS 18 HE3 LYS 18 12.013 21.868 -17.322 142 HZ1 LYS 18 HZ1 LYS 18 11.647 22.283 -19.702 143 HZ2 LYS 18 HZ2 LYS 18 10.234 22.356 -18.861 144 HZ3 LYS 18 HZ3 LYS 18 10.569 21.044 -19.777 145 H TYR 19 H TYR 19 14.540 15.620 -16.600 146 HA TYR 19 HA TYR 19 12.338 15.295 -14.751 147 HB2 TYR 19 HB2 TYR 19 14.036 13.525 -16.508 148 HB3 TYR 19 HB3 TYR 19 13.208 12.790 -15.149 149 HD1 TYR 19 HD2 TYR 19 12.015 15.560 -17.428 150 HD2 TYR 19 HD1 TYR 19 11.554 11.476 -16.082 151 HE1 TYR 19 HE2 TYR 19 9.869 15.376 -18.689 152 HE2 TYR 19 HE1 TYR 19 9.442 11.315 -17.428 153 HH TYR 19 HH TYR 19 7.923 14.017 -18.934 154 H LEU 20 H LEU 20 15.764 14.128 -14.661 155 HA LEU 20 HA LEU 20 15.728 12.929 -12.141 156 HB2 LEU 20 HB2 LEU 20 17.980 14.550 -13.334 157 HB3 LEU 20 HB3 LEU 20 18.121 13.462 -12.011 158 HG LEU 20 HG LEU 20 17.990 12.844 -14.908 159 HD11 LEU 20 HD11 LEU 20 20.073 12.778 -13.608 160 HD12 LEU 20 HD12 LEU 20 19.669 11.205 -14.334 161 HD13 LEU 20 HD13 LEU 20 19.381 11.488 -12.604 162 HD21 LEU 20 HD21 LEU 20 17.360 10.488 -14.560 163 HD22 LEU 20 HD22 LEU 20 16.008 11.581 -14.225 164 HD23 LEU 20 HD23 LEU 20 16.921 10.858 -12.885 165 H GLN 21 H GLN 21 16.358 16.396 -12.797 166 HA GLN 21 HA GLN 21 16.977 16.946 -10.051 167 HB2 GLN 21 HB2 GLN 21 16.904 18.389 -12.557 168 HB3 GLN 21 HB3 GLN 21 15.889 19.303 -11.457 169 HG2 GLN 21 HG2 GLN 21 18.751 18.400 -10.875 170 HG3 GLN 21 HG3 GLN 21 18.311 19.989 -11.516 171 HE21 GLN 21 HE21 GLN 21 16.944 21.435 -10.119 172 HE22 GLN 21 HE22 GLN 21 17.054 21.161 -8.381 173 H LEU 22 H LEU 22 13.848 16.523 -11.466 174 HA LEU 22 HA LEU 22 12.553 17.451 -8.942 175 HB2 LEU 22 HB2 LEU 22 11.482 17.862 -11.158 176 HB3 LEU 22 HB3 LEU 22 11.289 16.118 -11.383 177 HG LEU 22 HG LEU 22 10.194 17.493 -8.895 178 HD11 LEU 22 HD11 LEU 22 8.763 17.310 -11.573 179 HD12 LEU 22 HD12 LEU 22 9.372 18.797 -10.816 180 HD13 LEU 22 HD13 LEU 22 8.065 17.891 -10.040 181 HD21 LEU 22 HD21 LEU 22 10.014 15.022 -8.921 182 HD22 LEU 22 HD22 LEU 22 9.236 15.084 -10.515 183 HD23 LEU 22 HD23 LEU 22 8.425 15.749 -9.079 184 H LYS 23 H LYS 23 13.414 14.503 -10.740 185 HA LYS 23 HA LYS 23 12.030 12.640 -9.036 186 HB2 LYS 23 HB2 LYS 23 13.324 12.434 -11.489 187 HB3 LYS 23 HB3 LYS 23 14.498 11.690 -10.407 188 HG2 LYS 23 HG2 LYS 23 11.640 10.917 -10.226 189 HG3 LYS 23 HG3 LYS 23 12.558 10.336 -11.620 190 HD2 LYS 23 HD2 LYS 23 13.502 9.924 -8.745 191 HD3 LYS 23 HD3 LYS 23 12.540 8.739 -9.648 192 HE2 LYS 23 HE2 LYS 23 14.173 8.605 -11.395 193 HE3 LYS 23 HE3 LYS 23 15.190 9.847 -10.636 194 HZ1 LYS 23 HZ1 LYS 23 15.660 8.584 -8.847 195 HZ2 LYS 23 HZ2 LYS 23 15.852 7.492 -10.030 196 HZ3 LYS 23 HZ3 LYS 23 14.500 7.476 -9.035 197 H GLU 24 H GLU 24 15.465 13.328 -9.209 198 HA GLU 24 HA GLU 24 16.308 12.159 -6.713 199 HB2 GLU 24 HB2 GLU 24 17.508 13.756 -8.978 200 HB3 GLU 24 HB3 GLU 24 18.322 13.860 -7.472 201 HG2 GLU 24 HG2 GLU 24 19.285 12.068 -8.762 202 HG3 GLU 24 HG3 GLU 24 18.428 11.333 -7.397 203 H LYS 25 H LYS 25 14.261 14.646 -6.960 204 HA LYS 25 HA LYS 25 14.964 15.424 -4.160 205 HB2 LYS 25 HB2 LYS 25 13.671 16.889 -6.396 206 HB3 LYS 25 HB3 LYS 25 12.612 16.758 -5.015 207 HG2 LYS 25 HG2 LYS 25 14.012 18.802 -5.014 208 HG3 LYS 25 HG3 LYS 25 14.148 17.800 -3.557 209 HD2 LYS 25 HD2 LYS 25 16.324 18.781 -4.386 210 HD3 LYS 25 HD3 LYS 25 16.334 17.021 -4.187 211 HE2 LYS 25 HE2 LYS 25 15.687 16.887 -6.685 212 HE3 LYS 25 HE3 LYS 25 16.014 18.598 -6.778 213 HZ1 LYS 25 HZ1 LYS 25 18.296 17.947 -5.878 214 HZ2 LYS 25 HZ2 LYS 25 17.962 17.460 -7.392 215 HZ3 LYS 25 HZ3 LYS 25 17.851 16.363 -6.118 216 H LEU 26 H LEU 26 12.200 14.396 -6.078 217 HA LEU 26 HA LEU 26 10.558 13.862 -3.870 218 HB2 LEU 26 HB2 LEU 26 10.334 13.860 -6.662 219 HB3 LEU 26 HB3 LEU 26 10.059 12.174 -6.262 220 HG LEU 26 HG LEU 26 8.317 12.880 -4.637 221 HD11 LEU 26 HD11 LEU 26 8.999 15.263 -4.289 222 HD12 LEU 26 HD12 LEU 26 7.328 15.148 -4.837 223 HD13 LEU 26 HD13 LEU 26 8.612 15.610 -5.981 224 HD21 LEU 26 HD21 LEU 26 7.980 13.732 -7.555 225 HD22 LEU 26 HD22 LEU 26 6.625 13.464 -6.443 226 HD23 LEU 26 HD23 LEU 26 7.678 12.120 -6.866 227 H GLU 27 H GLU 27 12.556 11.547 -5.586 228 HA GLU 27 HA GLU 27 12.083 9.289 -3.822 229 HB2 GLU 27 HB2 GLU 27 13.751 9.977 -6.147 230 HB3 GLU 27 HB3 GLU 27 14.697 9.107 -4.948 231 HG2 GLU 27 HG2 GLU 27 13.091 7.329 -4.866 232 HG3 GLU 27 HG3 GLU 27 11.992 8.144 -5.964 233 H HIS 28 H HIS 28 14.424 11.944 -3.662 234 HA HIS 28 HA HIS 28 15.993 10.811 -1.496 235 HB2 HIS 28 HB2 HIS 28 16.874 12.564 -2.980 236 HB3 HIS 28 HB3 HIS 28 15.647 13.693 -2.416 237 HD1 HIS 28 HD1 HIS 28 17.080 11.835 0.489 238 HD2 HIS 28 HD2 HIS 28 17.498 15.389 -1.651 239 HE1 HIS 28 HE1 HIS 28 18.653 13.305 1.867 240 H GLU 29 H GLU 29 13.187 13.008 -1.710 241 HA GLU 29 HA GLU 29 12.891 13.650 1.021 242 HB2 GLU 29 HB2 GLU 29 11.195 13.609 -1.472 243 HB3 GLU 29 HB3 GLU 29 10.384 13.685 0.070 244 HG2 GLU 29 HG2 GLU 29 10.520 15.899 -0.257 245 HG3 GLU 29 HG3 GLU 29 12.075 15.706 0.524 246 H PHE 30 H PHE 30 11.650 11.013 -0.959 247 HA PHE 30 HA PHE 30 10.397 9.653 1.398 248 HB2 PHE 30 HB2 PHE 30 9.357 9.901 -1.433 249 HB3 PHE 30 HB3 PHE 30 8.489 9.264 -0.046 250 HD1 PHE 30 HD2 PHE 30 8.783 11.243 2.051 251 HD2 PHE 30 HD1 PHE 30 8.455 11.917 -2.185 252 HE1 PHE 30 HE2 PHE 30 7.988 13.527 2.476 253 HE2 PHE 30 HE1 PHE 30 7.628 14.209 -1.762 254 HZ PHE 30 HZ PHE 30 7.382 15.031 0.563 255 HA PRO 31 HA PRO 31 13.126 6.985 -1.386 256 HB2 PRO 31 HB2 PRO 31 14.938 5.907 0.369 257 HB3 PRO 31 HB3 PRO 31 15.133 7.471 -0.482 258 HG2 PRO 31 HG2 PRO 31 14.093 6.998 2.337 259 HG3 PRO 31 HG3 PRO 31 15.300 8.212 1.793 260 HD2 PRO 31 HD2 PRO 31 12.703 8.902 2.161 261 HD3 PRO 31 HD3 PRO 31 13.640 9.541 0.774 262 H GLY 32 H GLY 32 12.505 5.148 -1.939 263 HA2 GLY 32 HA2 GLY 32 11.343 3.154 -2.119 264 HA3 GLY 32 HA3 GLY 32 11.829 2.798 -0.456 265 H CYS 33 H CYS 33 10.203 5.435 0.237 266 HA CYS 33 HA CYS 33 7.560 4.306 0.533 267 HB2 CYS 33 HB2 CYS 33 8.442 7.184 0.761 268 HB3 CYS 33 HB3 CYS 33 6.928 6.495 1.300 269 HG CYS 33 HG CYS 33 8.207 4.647 2.874 270 H LEU 34 H LEU 34 9.242 5.610 -2.082 271 HA LEU 34 HA LEU 34 6.811 6.167 -3.658 272 HB2 LEU 34 HB2 LEU 34 8.926 8.063 -2.801 273 HB3 LEU 34 HB3 LEU 34 8.891 7.848 -4.556 274 HG LEU 34 HG LEU 34 6.381 8.123 -4.363 275 HD11 LEU 34 HD11 LEU 34 7.056 9.788 -1.919 276 HD12 LEU 34 HD12 LEU 34 6.314 8.193 -1.807 277 HD13 LEU 34 HD13 LEU 34 5.468 9.508 -2.620 278 HD21 LEU 34 HD21 LEU 34 6.591 10.545 -4.715 279 HD22 LEU 34 HD22 LEU 34 7.873 9.648 -5.527 280 HD23 LEU 34 HD23 LEU 34 8.236 10.492 -4.009 281 H ASP 35 H ASP 35 7.041 6.113 -5.787 282 HA ASP 35 HA ASP 35 9.454 5.097 -7.236 283 HB2 ASP 35 HB2 ASP 35 7.791 3.331 -7.193 284 HB3 ASP 35 HB3 ASP 35 6.536 4.547 -7.310 285 H ILE 36 H ILE 36 9.822 6.327 -8.971 286 HA ILE 36 HA ILE 36 7.787 7.969 -10.208 287 HB ILE 36 HB ILE 36 10.429 9.148 -9.934 288 HG12 ILE 36 HG12 ILE 36 8.948 10.965 -8.437 289 HG13 ILE 36 HG13 ILE 36 8.442 9.395 -7.822 290 HG21 ILE 36 HG21 ILE 36 9.355 11.277 -10.701 291 HG22 ILE 36 HG22 ILE 36 9.170 9.950 -11.848 292 HG23 ILE 36 HG23 ILE 36 7.814 10.407 -10.811 293 HD11 ILE 36 HD11 ILE 36 11.275 10.544 -8.007 294 HD12 ILE 36 HD12 ILE 36 10.387 10.005 -6.551 295 HD13 ILE 36 HD13 ILE 36 10.965 8.821 -7.732 296 H CYS 37 H CYS 37 7.778 7.090 -11.967 297 HA CYS 37 HA CYS 37 10.230 6.741 -13.696 298 HB2 CYS 37 HB2 CYS 37 7.657 5.209 -14.072 299 HB3 CYS 37 HB3 CYS 37 9.101 5.121 -15.053 300 HG CYS 37 HG CYS 37 9.012 4.454 -11.763 301 H GLY 38 H GLY 38 9.286 6.757 -16.124 302 HA2 GLY 38 HA2 GLY 38 7.493 9.016 -16.637 303 HA3 GLY 38 HA3 GLY 38 9.214 9.335 -16.917 304 H GLU 39 H GLU 39 7.343 9.607 -18.855 305 HA GLU 39 HA GLU 39 7.731 7.463 -20.882 306 HB2 GLU 39 HB2 GLU 39 5.293 8.944 -19.911 307 HB3 GLU 39 HB3 GLU 39 5.314 8.040 -21.438 308 HG2 GLU 39 HG2 GLU 39 5.735 5.950 -20.258 309 HG3 GLU 39 HG3 GLU 39 5.868 6.797 -18.711 310 H GLY 40 H GLY 40 9.412 9.283 -20.995 311 HA2 GLY 40 HA2 GLY 40 8.877 11.758 -22.381 312 HA3 GLY 40 HA3 GLY 40 10.453 10.988 -22.225 313 H THR 41 H THR 41 7.400 10.376 -23.975 314 HA THR 41 HA THR 41 8.417 8.777 -26.028 315 HB THR 41 HB THR 41 6.072 8.907 -25.574 316 HG1 THR 41 HG1 THR 41 5.405 9.082 -27.793 317 HG21 THR 41 HG21 THR 41 5.771 11.366 -25.263 318 HG22 THR 41 HG22 THR 41 4.607 10.647 -26.383 319 HG23 THR 41 HG23 THR 41 5.969 11.586 -27.018 320 HA PRO 42 HA PRO 42 10.889 11.701 -28.260 321 HB2 PRO 42 HB2 PRO 42 11.893 10.146 -30.242 322 HB3 PRO 42 HB3 PRO 42 12.232 9.827 -28.515 323 HG2 PRO 42 HG2 PRO 42 10.086 8.532 -30.237 324 HG3 PRO 42 HG3 PRO 42 11.332 7.719 -29.229 325 HD2 PRO 42 HD2 PRO 42 8.806 8.190 -28.308 326 HD3 PRO 42 HD3 PRO 42 10.227 8.302 -27.227 327 H GLN 43 H GLN 43 8.698 12.695 -28.636 328 HA GLN 43 HA GLN 43 8.415 13.405 -31.489 329 HB2 GLN 43 HB2 GLN 43 6.048 12.756 -29.675 330 HB3 GLN 43 HB3 GLN 43 5.949 13.407 -31.316 331 HG2 GLN 43 HG2 GLN 43 7.144 11.338 -32.147 332 HG3 GLN 43 HG3 GLN 43 7.000 10.656 -30.513 333 HE21 GLN 43 HE21 GLN 43 5.715 9.848 -33.248 334 HE22 GLN 43 HE22 GLN 43 4.013 9.802 -32.754 335 H VAL 44 H VAL 44 6.525 15.434 -31.229 336 HA VAL 44 HA VAL 44 7.712 17.300 -29.209 337 HB VAL 44 HB VAL 44 7.266 17.919 -32.150 338 HG11 VAL 44 HG11 VAL 44 8.384 19.620 -29.869 339 HG12 VAL 44 HG12 VAL 44 8.381 20.071 -31.587 340 HG13 VAL 44 HG13 VAL 44 6.851 19.896 -30.731 341 HG21 VAL 44 HG21 VAL 44 9.737 18.226 -32.201 342 HG22 VAL 44 HG22 VAL 44 9.835 17.604 -30.538 343 HG23 VAL 44 HG23 VAL 44 9.287 16.555 -31.864 344 H THR 45 H THR 45 6.117 17.824 -27.909 345 HA THR 45 HA THR 45 3.656 19.054 -29.055 346 HB THR 45 HB THR 45 2.152 18.019 -27.501 347 HG1 THR 45 HG1 THR 45 2.916 16.276 -26.229 348 HG21 THR 45 HG21 THR 45 3.765 15.764 -28.757 349 HG22 THR 45 HG22 THR 45 2.542 16.739 -29.602 350 HG23 THR 45 HG23 THR 45 2.068 15.712 -28.237 351 H GLY 46 H GLY 46 5.950 18.829 -26.371 352 HA2 GLY 46 HA2 GLY 46 6.571 20.492 -24.877 353 HA3 GLY 46 HA3 GLY 46 5.266 21.536 -25.466 354 H PHE 47 H PHE 47 3.745 18.707 -24.852 355 HA PHE 47 HA PHE 47 2.542 19.401 -22.303 356 HB2 PHE 47 HB2 PHE 47 2.600 16.738 -23.758 357 HB3 PHE 47 HB3 PHE 47 1.455 17.242 -22.524 358 HD1 PHE 47 HD2 PHE 47 1.478 20.151 -24.474 359 HD2 PHE 47 HD1 PHE 47 0.364 15.983 -24.714 360 HE1 PHE 47 HE2 PHE 47 -0.006 20.655 -26.361 361 HE2 PHE 47 HE1 PHE 47 -1.172 16.516 -26.590 362 HZ PHE 47 HZ PHE 47 -1.339 18.850 -27.437 363 H PHE 48 H PHE 48 2.894 18.376 -20.342 364 HA PHE 48 HA PHE 48 5.237 16.737 -19.744 365 HB2 PHE 48 HB2 PHE 48 6.063 19.151 -20.041 366 HB3 PHE 48 HB3 PHE 48 5.115 19.574 -18.625 367 HD1 PHE 48 HD1 PHE 48 5.648 18.118 -16.423 368 HD2 PHE 48 HD2 PHE 48 8.324 18.607 -19.766 369 HE1 PHE 48 HE1 PHE 48 7.579 17.535 -14.982 370 HE2 PHE 48 HE2 PHE 48 10.232 17.998 -18.345 371 HZ PHE 48 HZ PHE 48 9.878 17.472 -15.932 372 H GLU 49 H GLU 49 3.712 15.285 -18.804 373 HA GLU 49 HA GLU 49 1.565 16.466 -17.204 374 HB2 GLU 49 HB2 GLU 49 1.687 13.972 -18.916 375 HB3 GLU 49 HB3 GLU 49 0.275 14.765 -18.250 376 HG2 GLU 49 HG2 GLU 49 2.078 15.846 -20.461 377 HG3 GLU 49 HG3 GLU 49 0.492 15.133 -20.669 378 H VAL 50 H VAL 50 1.644 15.984 -15.025 379 HA VAL 50 HA VAL 50 3.330 13.634 -14.193 380 HB VAL 50 HB VAL 50 2.586 16.024 -12.491 381 HG11 VAL 50 HG11 VAL 50 4.525 13.735 -12.024 382 HG12 VAL 50 HG12 VAL 50 4.419 15.200 -11.023 383 HG13 VAL 50 HG13 VAL 50 3.046 14.098 -11.112 384 HG21 VAL 50 HG21 VAL 50 5.316 15.445 -13.712 385 HG22 VAL 50 HG22 VAL 50 4.188 16.621 -14.403 386 HG23 VAL 50 HG23 VAL 50 4.828 16.861 -12.771 387 H THR 51 H THR 51 2.313 11.884 -13.392 388 HA THR 51 HA THR 51 -0.289 12.197 -12.070 389 HB THR 51 HB THR 51 -0.067 9.598 -12.781 390 HG1 THR 51 HG1 THR 51 0.974 10.816 -15.065 391 HG21 THR 51 HG21 THR 51 -1.449 10.079 -14.773 392 HG22 THR 51 HG22 THR 51 -1.019 11.802 -14.635 393 HG23 THR 51 HG23 THR 51 -1.978 11.009 -13.356 394 H VAL 52 H VAL 52 -0.449 11.257 -10.027 395 HA VAL 52 HA VAL 52 1.579 9.269 -9.159 396 HB VAL 52 HB VAL 52 2.147 11.356 -8.121 397 HG11 VAL 52 HG11 VAL 52 -0.607 11.435 -6.812 398 HG12 VAL 52 HG12 VAL 52 0.731 12.569 -6.581 399 HG13 VAL 52 HG13 VAL 52 -0.091 12.480 -8.143 400 HG21 VAL 52 HG21 VAL 52 2.294 9.157 -6.872 401 HG22 VAL 52 HG22 VAL 52 2.196 10.587 -5.837 402 HG23 VAL 52 HG23 VAL 52 0.768 9.574 -6.065 403 H ALA 53 H ALA 53 0.755 7.484 -8.302 404 HA ALA 53 HA ALA 53 -0.802 5.787 -8.328 405 HB1 ALA 53 HB1 ALA 53 -2.249 5.874 -6.375 406 HB2 ALA 53 HB2 ALA 53 -0.662 6.572 -6.006 407 HB3 ALA 53 HB3 ALA 53 -2.061 7.638 -6.279 408 H GLY 54 H GLY 54 -1.397 7.590 -10.489 409 HA2 GLY 54 HA2 GLY 54 -3.040 7.571 -12.193 410 HA3 GLY 54 HA3 GLY 54 -4.227 6.943 -11.044 411 H LYS 55 H LYS 55 -2.752 9.647 -9.668 412 HA LYS 55 HA LYS 55 -4.972 11.493 -10.376 413 HB2 LYS 55 HB2 LYS 55 -2.949 11.771 -8.207 414 HB3 LYS 55 HB3 LYS 55 -4.408 12.712 -8.407 415 HG2 LYS 55 HG2 LYS 55 -4.257 9.742 -7.675 416 HG3 LYS 55 HG3 LYS 55 -4.580 11.089 -6.574 417 HD2 LYS 55 HD2 LYS 55 -6.648 11.634 -7.836 418 HD3 LYS 55 HD3 LYS 55 -6.353 10.236 -8.906 419 HE2 LYS 55 HE2 LYS 55 -6.423 8.705 -6.988 420 HE3 LYS 55 HE3 LYS 55 -6.603 10.065 -5.871 421 HZ1 LYS 55 HZ1 LYS 55 -8.741 9.055 -6.345 422 HZ2 LYS 55 HZ2 LYS 55 -8.568 9.313 -7.963 423 HZ3 LYS 55 HZ3 LYS 55 -8.713 10.589 -6.932 424 H LEU 56 H LEU 56 -4.448 12.602 -12.217 425 HA LEU 56 HA LEU 56 -1.893 13.737 -12.852 426 HB2 LEU 56 HB2 LEU 56 -3.487 13.307 -14.439 427 HB3 LEU 56 HB3 LEU 56 -4.743 14.333 -13.705 428 HG LEU 56 HG LEU 56 -3.903 15.200 -15.788 429 HD11 LEU 56 HD11 LEU 56 -3.351 17.434 -15.275 430 HD12 LEU 56 HD12 LEU 56 -2.691 17.015 -13.692 431 HD13 LEU 56 HD13 LEU 56 -4.436 16.872 -13.986 432 HD21 LEU 56 HD21 LEU 56 -1.709 14.069 -15.725 433 HD22 LEU 56 HD22 LEU 56 -1.147 15.266 -14.542 434 HD23 LEU 56 HD23 LEU 56 -1.589 15.776 -16.185 435 H VAL 57 H VAL 57 -0.902 15.186 -11.942 436 HA VAL 57 HA VAL 57 -2.223 17.122 -10.023 437 HB VAL 57 HB VAL 57 0.762 16.609 -10.017 438 HG11 VAL 57 HG11 VAL 57 0.474 17.216 -7.610 439 HG12 VAL 57 HG12 VAL 57 -0.104 18.497 -8.681 440 HG13 VAL 57 HG13 VAL 57 -1.267 17.416 -7.878 441 HG21 VAL 57 HG21 VAL 57 0.450 14.958 -8.189 442 HG22 VAL 57 HG22 VAL 57 -1.298 14.926 -8.535 443 HG23 VAL 57 HG23 VAL 57 -0.120 14.363 -9.745 444 H HIS 58 H HIS 58 -0.213 16.785 -12.837 445 HA HIS 58 HA HIS 58 0.050 19.756 -13.126 446 HB2 HIS 58 HB2 HIS 58 1.951 18.480 -11.819 447 HB3 HIS 58 HB3 HIS 58 2.368 17.882 -13.436 448 HD1 HIS 58 HD1 HIS 58 1.622 21.536 -12.266 449 HD2 HIS 58 HD2 HIS 58 4.295 19.097 -14.433 450 HE1 HIS 58 HE1 HIS 58 3.522 23.049 -13.035 451 H SER 59 H SER 59 0.548 20.429 -15.215 452 HA SER 59 HA SER 59 0.637 18.569 -17.469 453 HB2 SER 59 HB2 SER 59 -1.651 18.380 -16.650 454 HB3 SER 59 HB3 SER 59 -1.859 20.131 -16.682 455 HG SER 59 HG SER 59 -1.438 18.390 -18.903 456 H LYS 60 H LYS 60 2.098 19.751 -18.749 457 HA LYS 60 HA LYS 60 1.666 22.624 -19.176 458 HB2 LYS 60 HB2 LYS 60 3.475 20.573 -20.393 459 HB3 LYS 60 HB3 LYS 60 3.096 21.990 -21.346 460 HG2 LYS 60 HG2 LYS 60 4.257 22.116 -18.557 461 HG3 LYS 60 HG3 LYS 60 5.230 22.021 -20.003 462 HD2 LYS 60 HD2 LYS 60 5.180 24.294 -19.217 463 HD3 LYS 60 HD3 LYS 60 4.424 24.176 -20.821 464 HE2 LYS 60 HE2 LYS 60 2.219 24.401 -19.876 465 HE3 LYS 60 HE3 LYS 60 2.849 24.180 -18.238 466 HZ1 LYS 60 HZ1 LYS 60 3.306 26.569 -19.949 467 HZ2 LYS 60 HZ2 LYS 60 3.955 26.351 -18.449 468 HZ3 LYS 60 HZ3 LYS 60 2.339 26.489 -18.623 469 H LYS 61 H LYS 61 0.284 19.718 -20.512 470 HA LYS 61 HA LYS 61 -0.893 20.921 -22.842 471 HB2 LYS 61 HB2 LYS 61 -0.736 18.463 -22.296 472 HB3 LYS 61 HB3 LYS 61 -2.099 18.652 -21.189 473 HG2 LYS 61 HG2 LYS 61 -2.287 19.565 -24.079 474 HG3 LYS 61 HG3 LYS 61 -2.443 17.863 -23.694 475 HD2 LYS 61 HD2 LYS 61 -4.480 18.045 -22.717 476 HD3 LYS 61 HD3 LYS 61 -4.199 19.634 -22.046 477 HE2 LYS 61 HE2 LYS 61 -4.818 19.035 -24.973 478 HE3 LYS 61 HE3 LYS 61 -5.954 19.651 -23.766 479 HZ1 LYS 61 HZ1 LYS 61 -5.144 21.520 -24.984 480 HZ2 LYS 61 HZ2 LYS 61 -3.564 21.067 -24.794 481 HZ3 LYS 61 HZ3 LYS 61 -4.387 21.589 -23.512 482 H ARG 62 H ARG 62 -2.030 20.942 -19.424 483 HA ARG 62 HA ARG 62 -4.301 22.655 -20.164 484 HB2 ARG 62 HB2 ARG 62 -5.109 22.229 -18.132 485 HB3 ARG 62 HB3 ARG 62 -3.985 20.877 -18.140 486 HG2 ARG 62 HG2 ARG 62 -2.315 22.361 -16.961 487 HG3 ARG 62 HG3 ARG 62 -3.564 23.621 -16.856 488 HD2 ARG 62 HD2 ARG 62 -4.960 22.186 -15.511 489 HD3 ARG 62 HD3 ARG 62 -3.798 20.840 -15.665 490 HE ARG 62 HE ARG 62 -2.243 22.893 -14.748 491 HH11 ARG 62 HH11 ARG 62 -5.296 21.671 -13.565 492 HH12 ARG 62 HH12 ARG 62 -4.920 21.987 -11.889 493 HH21 ARG 62 HH21 ARG 62 -1.733 22.901 -12.472 494 HH22 ARG 62 HH22 ARG 62 -2.959 22.684 -11.301 495 H GLY 63 H GLY 63 -1.037 23.082 -18.887 496 HA2 GLY 63 HA2 GLY 63 0.121 24.818 -19.799 497 HA3 GLY 63 HA3 GLY 63 -1.246 25.957 -19.667 498 H ASP 64 H ASP 64 -0.559 23.804 -17.116 499 HA ASP 64 HA ASP 64 -0.563 25.457 -14.943 500 HB2 ASP 64 HB2 ASP 64 -0.530 22.935 -15.166 501 HB3 ASP 64 HB3 ASP 64 1.220 23.019 -15.333 502 H GLY 65 H GLY 65 2.333 24.437 -16.635 503 HA2 GLY 65 HA2 GLY 65 4.325 26.168 -16.559 504 HA3 GLY 65 HA3 GLY 65 4.029 26.030 -14.824 505 H TYR 66 H TYR 66 6.118 25.272 -14.760 506 HA TYR 66 HA TYR 66 6.390 22.307 -14.898 507 HB2 TYR 66 HB2 TYR 66 8.479 24.518 -14.992 508 HB3 TYR 66 HB3 TYR 66 8.819 22.805 -14.852 509 HD1 TYR 66 HD2 TYR 66 7.534 21.289 -16.756 510 HD2 TYR 66 HD1 TYR 66 8.700 25.424 -17.126 511 HE1 TYR 66 HE2 TYR 66 7.524 21.073 -19.244 512 HE2 TYR 66 HE1 TYR 66 8.716 25.200 -19.614 513 HH TYR 66 HH TYR 66 7.801 23.742 -21.398 514 H VAL 67 H VAL 67 8.535 22.389 -12.996 515 HA VAL 67 HA VAL 67 7.367 23.787 -10.633 516 HB VAL 67 HB VAL 67 9.296 23.299 -9.381 517 HG11 VAL 67 HG11 VAL 67 7.185 22.051 -9.148 518 HG12 VAL 67 HG12 VAL 67 7.695 20.900 -10.395 519 HG13 VAL 67 HG13 VAL 67 8.556 20.964 -8.848 520 HG21 VAL 67 HG21 VAL 67 10.692 21.280 -9.941 521 HG22 VAL 67 HG22 VAL 67 9.932 21.202 -11.543 522 HG23 VAL 67 HG23 VAL 67 10.973 22.571 -11.103 523 H ASP 68 H ASP 68 7.252 25.675 -11.628 524 HA ASP 68 HA ASP 68 9.405 27.146 -12.812 525 HB2 ASP 68 HB2 ASP 68 6.855 28.212 -11.699 526 HB3 ASP 68 HB3 ASP 68 7.836 28.844 -12.991 527 H THR 69 H THR 69 8.509 26.715 -9.582 528 HA THR 69 HA THR 69 10.127 28.958 -8.482 529 HB THR 69 HB THR 69 7.415 28.798 -7.339 530 HG1 THR 69 HG1 THR 69 7.846 29.839 -9.924 531 HG21 THR 69 HG21 THR 69 7.588 31.241 -7.330 532 HG22 THR 69 HG22 THR 69 9.104 31.154 -8.248 533 HG23 THR 69 HG23 THR 69 9.023 30.512 -6.590 534 H GLU 70 H GLU 70 10.158 28.930 -6.139 535 HA GLU 70 HA GLU 70 10.454 26.356 -4.902 536 HB2 GLU 70 HB2 GLU 70 10.844 29.081 -4.180 537 HB3 GLU 70 HB3 GLU 70 9.660 28.528 -3.020 538 HG2 GLU 70 HG2 GLU 70 12.240 26.998 -3.550 539 HG3 GLU 70 HG3 GLU 70 12.137 28.332 -2.404 540 H SER 71 H SER 71 7.916 28.664 -4.682 541 HA SER 71 HA SER 71 6.124 27.130 -3.062 542 HB2 SER 71 HB2 SER 71 5.872 29.600 -3.856 543 HB3 SER 71 HB3 SER 71 5.072 28.932 -5.284 544 HG SER 71 HG SER 71 4.216 29.016 -2.628 545 H LYS 72 H LYS 72 6.601 27.051 -6.491 546 HA LYS 72 HA LYS 72 4.460 25.279 -7.276 547 HB2 LYS 72 HB2 LYS 72 7.014 26.415 -8.384 548 HB3 LYS 72 HB3 LYS 72 6.401 24.995 -9.192 549 HG2 LYS 72 HG2 LYS 72 4.657 27.440 -8.628 550 HG3 LYS 72 HG3 LYS 72 5.755 27.356 -10.009 551 HD2 LYS 72 HD2 LYS 72 4.680 25.225 -10.726 552 HD3 LYS 72 HD3 LYS 72 3.446 25.437 -9.465 553 HE2 LYS 72 HE2 LYS 72 2.587 27.369 -10.459 554 HE3 LYS 72 HE3 LYS 72 4.104 27.727 -11.306 555 HZ1 LYS 72 HZ1 LYS 72 3.862 25.958 -12.731 556 HZ2 LYS 72 HZ2 LYS 72 2.522 26.860 -12.922 557 HZ3 LYS 72 HZ3 LYS 72 2.395 25.440 -12.132 558 H PHE 73 H PHE 73 7.892 24.755 -6.620 559 HA PHE 73 HA PHE 73 7.809 21.862 -6.849 560 HB2 PHE 73 HB2 PHE 73 9.927 23.024 -6.978 561 HB3 PHE 73 HB3 PHE 73 9.692 23.747 -5.391 562 HD1 PHE 73 HD2 PHE 73 9.569 20.243 -6.839 563 HD2 PHE 73 HD1 PHE 73 11.018 22.830 -3.697 564 HE1 PHE 73 HE2 PHE 73 10.625 18.299 -5.712 565 HE2 PHE 73 HE1 PHE 73 12.086 20.869 -2.602 566 HZ PHE 73 HZ PHE 73 11.842 18.612 -3.579 567 H ARG 74 H ARG 74 7.681 23.964 -3.990 568 HA ARG 74 HA ARG 74 7.242 21.931 -2.098 569 HB2 ARG 74 HB2 ARG 74 7.850 24.534 -1.917 570 HB3 ARG 74 HB3 ARG 74 6.108 24.705 -1.649 571 HG2 ARG 74 HG2 ARG 74 6.341 23.018 0.253 572 HG3 ARG 74 HG3 ARG 74 8.081 22.990 -0.080 573 HD2 ARG 74 HD2 ARG 74 7.759 25.671 0.161 574 HD3 ARG 74 HD3 ARG 74 6.389 25.159 1.141 575 HE ARG 74 HE ARG 74 7.877 24.329 2.771 576 HH11 ARG 74 HH11 ARG 74 9.721 25.311 -0.108 577 HH12 ARG 74 HH12 ARG 74 11.198 25.238 0.613 578 HH21 ARG 74 HH21 ARG 74 9.922 24.183 3.754 579 HH22 ARG 74 HH22 ARG 74 11.320 24.577 2.770 580 H LYS 75 H LYS 75 4.865 23.430 -4.144 581 HA LYS 75 HA LYS 75 2.502 22.436 -2.810 582 HB2 LYS 75 HB2 LYS 75 3.145 23.761 -5.368 583 HB3 LYS 75 HB3 LYS 75 2.043 22.417 -5.621 584 HG2 LYS 75 HG2 LYS 75 0.786 24.426 -5.332 585 HG3 LYS 75 HG3 LYS 75 0.470 23.342 -3.971 586 HD2 LYS 75 HD2 LYS 75 1.849 24.700 -2.486 587 HD3 LYS 75 HD3 LYS 75 2.472 25.635 -3.854 588 HE2 LYS 75 HE2 LYS 75 0.847 26.948 -2.637 589 HE3 LYS 75 HE3 LYS 75 0.332 26.638 -4.295 590 HZ1 LYS 75 HZ1 LYS 75 -0.646 25.163 -1.911 591 HZ2 LYS 75 HZ2 LYS 75 -1.124 24.886 -3.464 592 HZ3 LYS 75 HZ3 LYS 75 -1.485 26.314 -2.726 593 H LEU 76 H LEU 76 4.769 21.065 -5.174 594 HA LEU 76 HA LEU 76 3.198 18.609 -5.430 595 HB2 LEU 76 HB2 LEU 76 5.051 19.908 -7.049 596 HB3 LEU 76 HB3 LEU 76 6.103 18.756 -6.246 597 HG LEU 76 HG LEU 76 5.478 17.884 -8.362 598 HD11 LEU 76 HD11 LEU 76 4.442 15.766 -7.896 599 HD12 LEU 76 HD12 LEU 76 3.686 16.402 -6.422 600 HD13 LEU 76 HD13 LEU 76 5.456 16.214 -6.509 601 HD21 LEU 76 HD21 LEU 76 2.558 18.296 -7.620 602 HD22 LEU 76 HD22 LEU 76 3.158 17.507 -9.094 603 HD23 LEU 76 HD23 LEU 76 3.487 19.224 -8.813 604 H VAL 77 H VAL 77 6.146 19.559 -3.801 605 HA VAL 77 HA VAL 77 6.611 17.049 -2.472 606 HB VAL 77 HB VAL 77 7.173 19.857 -1.422 607 HG11 VAL 77 HG11 VAL 77 7.199 18.300 0.487 608 HG12 VAL 77 HG12 VAL 77 8.259 17.194 -0.423 609 HG13 VAL 77 HG13 VAL 77 8.845 18.787 0.075 610 HG21 VAL 77 HG21 VAL 77 9.491 19.395 -2.120 611 HG22 VAL 77 HG22 VAL 77 9.010 17.820 -2.763 612 HG23 VAL 77 HG23 VAL 77 8.402 19.315 -3.507 613 H THR 78 H THR 78 4.584 19.782 -1.460 614 HA THR 78 HA THR 78 3.778 18.540 0.972 615 HB THR 78 HB THR 78 2.234 20.580 -0.691 616 HG1 THR 78 HG1 THR 78 4.152 21.387 -0.035 617 HG21 THR 78 HG21 THR 78 1.923 19.806 2.243 618 HG22 THR 78 HG22 THR 78 0.712 19.579 0.958 619 HG23 THR 78 HG23 THR 78 1.163 21.212 1.469 620 H ALA 79 H ALA 79 2.480 18.259 -2.290 621 HA ALA 79 HA ALA 79 0.148 16.827 -1.268 622 HB1 ALA 79 HB1 ALA 79 1.235 17.090 -4.120 623 HB2 ALA 79 HB2 ALA 79 -0.379 16.483 -3.686 624 HB3 ALA 79 HB3 ALA 79 0.042 18.181 -3.378 625 H ILE 80 H ILE 80 3.246 15.970 -2.403 626 HA ILE 80 HA ILE 80 2.614 13.076 -2.623 627 HB ILE 80 HB ILE 80 5.223 14.611 -2.739 628 HG12 ILE 80 HG12 ILE 80 3.576 14.937 -4.637 629 HG13 ILE 80 HG13 ILE 80 5.157 14.322 -5.087 630 HG21 ILE 80 HG21 ILE 80 6.239 12.527 -3.604 631 HG22 ILE 80 HG22 ILE 80 5.687 12.328 -1.942 632 HG23 ILE 80 HG23 ILE 80 4.733 11.644 -3.251 633 HD11 ILE 80 HD11 ILE 80 4.208 12.084 -5.443 634 HD12 ILE 80 HD12 ILE 80 2.629 12.648 -4.831 635 HD13 ILE 80 HD13 ILE 80 3.290 13.297 -6.342 636 H LYS 81 H LYS 81 3.899 15.269 -0.223 637 HA LYS 81 HA LYS 81 4.854 13.186 1.625 638 HB2 LYS 81 HB2 LYS 81 5.451 15.721 1.526 639 HB3 LYS 81 HB3 LYS 81 3.937 16.055 2.325 640 HG2 LYS 81 HG2 LYS 81 6.295 14.464 3.423 641 HG3 LYS 81 HG3 LYS 81 5.886 16.120 3.817 642 HD2 LYS 81 HD2 LYS 81 4.448 13.595 4.662 643 HD3 LYS 81 HD3 LYS 81 5.300 14.759 5.661 644 HE2 LYS 81 HE2 LYS 81 3.625 16.500 5.152 645 HE3 LYS 81 HE3 LYS 81 2.754 15.375 4.097 646 HZ1 LYS 81 HZ1 LYS 81 2.361 13.950 6.011 647 HZ2 LYS 81 HZ2 LYS 81 1.747 15.450 6.288 648 HZ3 LYS 81 HZ3 LYS 81 3.150 14.994 7.009 649 H ALA 82 H ALA 82 1.973 15.076 1.162 650 HA ALA 82 HA ALA 82 0.398 14.138 3.421 651 HB1 ALA 82 HB1 ALA 82 -0.138 16.245 2.257 652 HB2 ALA 82 HB2 ALA 82 -0.484 15.350 0.760 653 HB3 ALA 82 HB3 ALA 82 -1.511 15.118 2.187 654 H ALA 83 H ALA 83 0.374 13.238 -0.061 655 HA ALA 83 HA ALA 83 -1.451 11.107 0.201 656 HB1 ALA 83 HB1 ALA 83 0.757 11.566 -1.846 657 HB2 ALA 83 HB2 ALA 83 -0.602 10.431 -2.033 658 HB3 ALA 83 HB3 ALA 83 -0.910 12.175 -1.943 659 H LEU 84 H LEU 84 2.017 11.153 0.510 660 HA LEU 84 HA LEU 84 2.468 8.311 0.926 661 HB2 LEU 84 HB2 LEU 84 4.300 9.771 0.532 662 HB3 LEU 84 HB3 LEU 84 3.896 10.822 1.870 663 HG LEU 84 HG LEU 84 4.664 9.359 3.478 664 HD11 LEU 84 HD11 LEU 84 4.859 7.190 1.337 665 HD12 LEU 84 HD12 LEU 84 3.857 7.132 2.793 666 HD13 LEU 84 HD13 LEU 84 5.599 7.057 2.957 667 HD21 LEU 84 HD21 LEU 84 6.997 8.976 2.843 668 HD22 LEU 84 HD22 LEU 84 6.387 10.537 2.254 669 HD23 LEU 84 HD23 LEU 84 6.552 9.171 1.132 670 H ALA 85 H ALA 85 2.143 10.893 3.257 671 HA ALA 85 HA ALA 85 1.787 9.178 5.541 672 HB1 ALA 85 HB1 ALA 85 0.902 12.079 5.228 673 HB2 ALA 85 HB2 ALA 85 1.161 11.224 6.769 674 HB3 ALA 85 HB3 ALA 85 2.541 11.536 5.689 675 H GLN 86 H GLN 86 -0.479 9.679 3.178 676 HA GLN 86 HA GLN 86 -2.748 8.700 4.847 677 HB2 GLN 86 HB2 GLN 86 -2.573 9.564 1.936 678 HB3 GLN 86 HB3 GLN 86 -4.011 8.826 2.647 679 HG2 GLN 86 HG2 GLN 86 -4.289 10.655 4.208 680 HG3 GLN 86 HG3 GLN 86 -2.744 11.367 3.757 681 HE21 GLN 86 HE21 GLN 86 -6.148 11.389 3.031 682 HE22 GLN 86 HE22 GLN 86 -5.907 12.423 1.605 683 H CYS 87 H CYS 87 -0.870 7.764 2.076 684 HA CYS 87 HA CYS 87 -1.827 5.060 1.829 685 HB2 CYS 87 HB2 CYS 87 -0.401 6.681 0.240 686 HB3 CYS 87 HB3 CYS 87 0.958 5.781 0.923 687 HG CYS 87 HG CYS 87 -1.786 4.606 -0.562 688 H GLN 88 H GLN 88 0.616 6.365 3.930 689 HA GLN 88 HA GLN 88 2.026 3.990 4.573 690 HB2 GLN 88 HB2 GLN 88 2.641 6.251 5.392 691 HB3 GLN 88 HB3 GLN 88 1.285 6.209 6.539 692 HG2 GLN 88 HG2 GLN 88 2.286 4.307 7.717 693 HG3 GLN 88 HG3 GLN 88 3.565 4.167 6.501 694 HE21 GLN 88 HE21 GLN 88 4.913 6.460 6.292 695 HE22 GLN 88 HE22 GLN 88 5.328 6.967 7.947 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.290 -1.474 -3.429 2 H2 MET 1 H2 MET 1 0.447 -0.364 -2.521 3 H3 MET 1 H3 MET 1 0.621 -1.857 -1.938 4 HA MET 1 HA MET 1 2.028 -0.252 -0.870 5 HB2 MET 1 HB2 MET 1 3.734 -2.227 -2.460 6 HB3 MET 1 HB3 MET 1 4.091 -1.495 -0.894 7 HG2 MET 1 HG2 MET 1 3.360 -3.580 -0.241 8 HG3 MET 1 HG3 MET 1 1.872 -2.643 -0.120 9 HE1 MET 1 HE1 MET 1 3.943 -4.620 -2.912 10 HE2 MET 1 HE2 MET 1 3.676 -5.666 -1.501 11 HE3 MET 1 HE3 MET 1 2.887 -6.044 -3.048 12 H ALA 2 H ALA 2 3.569 1.370 -1.020 13 HA ALA 2 HA ALA 2 4.386 3.253 -1.857 14 HB1 ALA 2 HB1 ALA 2 6.121 1.713 -2.704 15 HB2 ALA 2 HB2 ALA 2 5.253 1.606 -4.255 16 HB3 ALA 2 HB3 ALA 2 5.940 3.148 -3.716 17 H LEU 3 H LEU 3 4.513 4.678 -4.004 18 HA LEU 3 HA LEU 3 1.738 4.899 -5.087 19 HB2 LEU 3 HB2 LEU 3 2.607 6.521 -3.153 20 HB3 LEU 3 HB3 LEU 3 3.465 7.266 -4.509 21 HG LEU 3 HG LEU 3 1.259 7.582 -5.657 22 HD11 LEU 3 HD11 LEU 3 -0.780 7.533 -4.263 23 HD12 LEU 3 HD12 LEU 3 0.144 6.802 -2.929 24 HD13 LEU 3 HD13 LEU 3 -0.106 5.911 -4.442 25 HD21 LEU 3 HD21 LEU 3 2.393 9.383 -4.413 26 HD22 LEU 3 HD22 LEU 3 1.675 8.814 -2.896 27 HD23 LEU 3 HD23 LEU 3 0.635 9.492 -4.170 28 H ALA 4 H ALA 4 1.674 4.891 -7.148 29 HA ALA 4 HA ALA 4 4.058 4.781 -8.773 30 HB1 ALA 4 HB1 ALA 4 1.158 4.201 -9.479 31 HB2 ALA 4 HB2 ALA 4 2.609 3.585 -10.300 32 HB3 ALA 4 HB3 ALA 4 2.260 3.066 -8.665 33 H VAL 5 H VAL 5 4.947 6.777 -9.518 34 HA VAL 5 HA VAL 5 3.052 8.735 -10.670 35 HB VAL 5 HB VAL 5 5.839 9.313 -9.759 36 HG11 VAL 5 HG11 VAL 5 3.504 11.188 -10.195 37 HG12 VAL 5 HG12 VAL 5 5.098 11.630 -9.561 38 HG13 VAL 5 HG13 VAL 5 4.963 11.056 -11.212 39 HG21 VAL 5 HG21 VAL 5 4.843 10.285 -7.689 40 HG22 VAL 5 HG22 VAL 5 3.261 9.669 -8.198 41 HG23 VAL 5 HG23 VAL 5 4.555 8.551 -7.754 42 H ARG 6 H ARG 6 3.482 9.766 -12.443 43 HA ARG 6 HA ARG 6 5.415 8.768 -14.461 44 HB2 ARG 6 HB2 ARG 6 2.601 8.198 -14.357 45 HB3 ARG 6 HB3 ARG 6 2.790 9.404 -15.622 46 HG2 ARG 6 HG2 ARG 6 2.873 7.164 -16.519 47 HG3 ARG 6 HG3 ARG 6 4.412 7.999 -16.791 48 HD2 ARG 6 HD2 ARG 6 4.713 5.642 -16.186 49 HD3 ARG 6 HD3 ARG 6 5.475 6.721 -15.010 50 HE ARG 6 HE ARG 6 2.808 6.023 -14.218 51 HH11 ARG 6 HH11 ARG 6 5.934 4.287 -14.168 52 HH12 ARG 6 HH12 ARG 6 5.729 4.024 -12.441 53 HH21 ARG 6 HH21 ARG 6 2.753 5.446 -12.067 54 HH22 ARG 6 HH22 ARG 6 4.144 4.517 -11.481 55 H VAL 7 H VAL 7 5.707 10.152 -16.301 56 HA VAL 7 HA VAL 7 4.888 12.983 -16.188 57 HB VAL 7 HB VAL 7 7.820 12.320 -16.660 58 HG11 VAL 7 HG11 VAL 7 6.331 14.903 -16.032 59 HG12 VAL 7 HG12 VAL 7 8.073 14.735 -16.324 60 HG13 VAL 7 HG13 VAL 7 6.932 14.408 -17.625 61 HG21 VAL 7 HG21 VAL 7 6.674 13.122 -13.992 62 HG22 VAL 7 HG22 VAL 7 7.641 11.705 -14.398 63 HG23 VAL 7 HG23 VAL 7 8.372 13.302 -14.486 64 H VAL 8 H VAL 8 3.815 12.994 -18.149 65 HA VAL 8 HA VAL 8 5.031 11.627 -20.511 66 HB VAL 8 HB VAL 8 2.394 13.104 -20.449 67 HG11 VAL 8 HG11 VAL 8 3.300 12.690 -22.698 68 HG12 VAL 8 HG12 VAL 8 3.543 10.974 -22.301 69 HG13 VAL 8 HG13 VAL 8 1.903 11.647 -22.398 70 HG21 VAL 8 HG21 VAL 8 1.326 10.863 -20.229 71 HG22 VAL 8 HG22 VAL 8 2.924 10.152 -19.915 72 HG23 VAL 8 HG23 VAL 8 2.218 11.324 -18.778 73 H TYR 9 H TYR 9 6.403 12.755 -21.795 74 HA TYR 9 HA TYR 9 6.079 15.712 -22.132 75 HB2 TYR 9 HB2 TYR 9 7.708 15.305 -20.348 76 HB3 TYR 9 HB3 TYR 9 8.561 14.181 -21.411 77 HD1 TYR 9 HD1 TYR 9 7.639 17.571 -22.719 78 HD2 TYR 9 HD2 TYR 9 10.640 15.136 -20.853 79 HE1 TYR 9 HE1 TYR 9 9.292 19.285 -23.239 80 HE2 TYR 9 HE2 TYR 9 12.330 16.934 -21.317 81 HH TYR 9 HH TYR 9 11.957 19.304 -23.491 82 H SER 10 H SER 10 6.990 16.549 -23.958 83 HA SER 10 HA SER 10 7.521 14.953 -26.350 84 HB2 SER 10 HB2 SER 10 8.077 17.175 -27.319 85 HB3 SER 10 HB3 SER 10 6.465 17.139 -26.566 86 HG SER 10 HG SER 10 8.856 18.039 -25.352 87 H GLY 11 H GLY 11 9.211 13.578 -25.421 88 HA2 GLY 11 HA2 GLY 11 11.571 14.541 -24.182 89 HA3 GLY 11 HA3 GLY 11 11.278 12.907 -24.782 90 H ALA 12 H ALA 12 11.604 15.963 -26.535 91 HA ALA 12 HA ALA 12 13.275 14.943 -28.657 92 HB1 ALA 12 HB1 ALA 12 13.142 17.274 -29.450 93 HB2 ALA 12 HB2 ALA 12 11.542 16.667 -28.982 94 HB3 ALA 12 HB3 ALA 12 12.427 17.772 -27.904 95 H CYS 13 H CYS 13 14.736 14.191 -26.852 96 HA CYS 13 HA CYS 13 16.726 14.096 -25.747 97 HB2 CYS 13 HB2 CYS 13 17.598 15.005 -27.981 98 HB3 CYS 13 HB3 CYS 13 17.712 16.582 -27.172 99 HG CYS 13 HG CYS 13 20.086 15.333 -27.293 100 H GLY 14 H GLY 14 18.305 15.906 -24.476 101 HA2 GLY 14 HA2 GLY 14 18.522 17.123 -22.540 102 HA3 GLY 14 HA3 GLY 14 17.128 18.052 -23.097 103 H TYR 15 H TYR 15 15.438 15.500 -22.830 104 HA TYR 15 HA TYR 15 14.317 16.147 -20.396 105 HB2 TYR 15 HB2 TYR 15 12.789 14.406 -20.744 106 HB3 TYR 15 HB3 TYR 15 13.204 15.008 -22.353 107 HD1 TYR 15 HD1 TYR 15 13.345 12.203 -19.980 108 HD2 TYR 15 HD2 TYR 15 14.428 13.547 -23.941 109 HE1 TYR 15 HE1 TYR 15 13.800 9.852 -20.661 110 HE2 TYR 15 HE2 TYR 15 14.886 11.214 -24.610 111 HH TYR 15 HH TYR 15 14.425 8.988 -23.957 112 H LYS 16 H LYS 16 16.646 13.618 -20.916 113 HA LYS 16 HA LYS 16 16.285 12.095 -18.588 114 HB2 LYS 16 HB2 LYS 16 18.862 12.697 -20.120 115 HB3 LYS 16 HB3 LYS 16 18.780 11.505 -18.812 116 HG2 LYS 16 HG2 LYS 16 16.822 11.203 -21.056 117 HG3 LYS 16 HG3 LYS 16 18.531 10.847 -21.368 118 HD2 LYS 16 HD2 LYS 16 18.616 9.258 -19.504 119 HD3 LYS 16 HD3 LYS 16 16.916 9.619 -19.093 120 HE2 LYS 16 HE2 LYS 16 16.199 8.893 -21.278 121 HE3 LYS 16 HE3 LYS 16 17.861 8.583 -21.804 122 HZ1 LYS 16 HZ1 LYS 16 16.738 6.542 -21.129 123 HZ2 LYS 16 HZ2 LYS 16 16.481 7.120 -19.619 124 HZ3 LYS 16 HZ3 LYS 16 18.017 6.830 -20.139 125 HA PRO 17 HA PRO 17 19.022 14.532 -15.629 126 HB2 PRO 17 HB2 PRO 17 19.982 17.033 -16.228 127 HB3 PRO 17 HB3 PRO 17 20.873 15.524 -16.597 128 HG2 PRO 17 HG2 PRO 17 19.104 17.145 -18.464 129 HG3 PRO 17 HG3 PRO 17 20.760 16.523 -18.768 130 HD2 PRO 17 HD2 PRO 17 18.581 15.182 -19.655 131 HD3 PRO 17 HD3 PRO 17 19.991 14.304 -18.986 132 H LYS 18 H LYS 18 16.916 16.486 -17.763 133 HA LYS 18 HA LYS 18 15.786 18.203 -15.768 134 HB2 LYS 18 HB2 LYS 18 15.636 18.467 -18.223 135 HB3 LYS 18 HB3 LYS 18 14.581 17.051 -18.321 136 HG2 LYS 18 HG2 LYS 18 12.820 18.212 -17.080 137 HG3 LYS 18 HG3 LYS 18 13.890 19.616 -16.829 138 HD2 LYS 18 HD2 LYS 18 14.072 19.935 -19.272 139 HD3 LYS 18 HD3 LYS 18 13.047 18.517 -19.555 140 HE2 LYS 18 HE2 LYS 18 11.148 19.627 -18.462 141 HE3 LYS 18 HE3 LYS 18 12.161 21.019 -18.053 142 HZ1 LYS 18 HZ1 LYS 18 12.417 21.502 -20.383 143 HZ2 LYS 18 HZ2 LYS 18 10.806 21.310 -20.111 144 HZ3 LYS 18 HZ3 LYS 18 11.674 20.123 -20.853 145 H TYR 19 H TYR 19 14.680 14.992 -16.893 146 HA TYR 19 HA TYR 19 12.596 14.581 -14.967 147 HB2 TYR 19 HB2 TYR 19 14.312 12.851 -16.780 148 HB3 TYR 19 HB3 TYR 19 13.378 12.099 -15.518 149 HD1 TYR 19 HD2 TYR 19 11.776 15.056 -17.081 150 HD2 TYR 19 HD1 TYR 19 12.333 10.775 -17.305 151 HE1 TYR 19 HE2 TYR 19 9.742 14.847 -18.485 152 HE2 TYR 19 HE1 TYR 19 10.322 10.609 -18.777 153 HH TYR 19 HH TYR 19 8.096 12.081 -19.149 154 H LEU 20 H LEU 20 16.067 13.524 -14.949 155 HA LEU 20 HA LEU 20 15.920 12.230 -12.441 156 HB2 LEU 20 HB2 LEU 20 18.169 13.662 -13.743 157 HB3 LEU 20 HB3 LEU 20 18.402 12.720 -12.327 158 HG LEU 20 HG LEU 20 17.324 11.471 -14.891 159 HD11 LEU 20 HD11 LEU 20 20.131 11.465 -13.710 160 HD12 LEU 20 HD12 LEU 20 19.626 12.257 -15.219 161 HD13 LEU 20 HD13 LEU 20 19.589 10.492 -15.094 162 HD21 LEU 20 HD21 LEU 20 16.675 10.222 -12.883 163 HD22 LEU 20 HD22 LEU 20 18.351 10.246 -12.304 164 HD23 LEU 20 HD23 LEU 20 17.926 9.346 -13.775 165 H GLN 21 H GLN 21 16.719 15.720 -13.012 166 HA GLN 21 HA GLN 21 17.440 16.187 -10.307 167 HB2 GLN 21 HB2 GLN 21 17.842 17.560 -12.488 168 HB3 GLN 21 HB3 GLN 21 16.286 18.331 -12.151 169 HG2 GLN 21 HG2 GLN 21 18.424 18.123 -10.019 170 HG3 GLN 21 HG3 GLN 21 18.617 19.303 -11.318 171 HE21 GLN 21 HE21 GLN 21 16.023 18.409 -8.849 172 HE22 GLN 21 HE22 GLN 21 15.610 20.139 -8.711 173 H LEU 22 H LEU 22 14.336 16.606 -12.010 174 HA LEU 22 HA LEU 22 12.814 17.476 -9.737 175 HB2 LEU 22 HB2 LEU 22 12.305 17.584 -12.274 176 HB3 LEU 22 HB3 LEU 22 11.798 15.904 -12.144 177 HG LEU 22 HG LEU 22 9.941 17.468 -12.175 178 HD11 LEU 22 HD11 LEU 22 10.037 16.312 -9.373 179 HD12 LEU 22 HD12 LEU 22 9.688 15.370 -10.841 180 HD13 LEU 22 HD13 LEU 22 8.617 16.696 -10.359 181 HD21 LEU 22 HD21 LEU 22 11.071 19.406 -11.114 182 HD22 LEU 22 HD22 LEU 22 10.904 18.614 -9.530 183 HD23 LEU 22 HD23 LEU 22 9.460 19.074 -10.454 184 H LYS 23 H LYS 23 13.505 14.180 -11.100 185 HA LYS 23 HA LYS 23 11.892 12.618 -9.367 186 HB2 LYS 23 HB2 LYS 23 14.319 12.268 -11.137 187 HB3 LYS 23 HB3 LYS 23 13.894 11.032 -10.019 188 HG2 LYS 23 HG2 LYS 23 11.589 11.928 -11.608 189 HG3 LYS 23 HG3 LYS 23 12.918 11.328 -12.624 190 HD2 LYS 23 HD2 LYS 23 11.864 9.837 -10.205 191 HD3 LYS 23 HD3 LYS 23 11.281 9.548 -11.868 192 HE2 LYS 23 HE2 LYS 23 13.485 8.845 -12.573 193 HE3 LYS 23 HE3 LYS 23 14.188 9.300 -11.002 194 HZ1 LYS 23 HZ1 LYS 23 12.068 7.243 -11.159 195 HZ2 LYS 23 HZ2 LYS 23 12.949 7.678 -9.896 196 HZ3 LYS 23 HZ3 LYS 23 13.705 6.892 -11.091 197 H GLU 24 H GLU 24 15.407 13.187 -9.338 198 HA GLU 24 HA GLU 24 16.161 11.910 -7.019 199 HB2 GLU 24 HB2 GLU 24 17.711 12.875 -8.527 200 HB3 GLU 24 HB3 GLU 24 17.121 14.517 -8.240 201 HG2 GLU 24 HG2 GLU 24 18.273 13.026 -5.897 202 HG3 GLU 24 HG3 GLU 24 19.383 13.513 -7.186 203 H LYS 25 H LYS 25 14.708 15.166 -7.080 204 HA LYS 25 HA LYS 25 14.905 15.502 -4.198 205 HB2 LYS 25 HB2 LYS 25 14.357 17.166 -6.438 206 HB3 LYS 25 HB3 LYS 25 12.792 17.047 -5.657 207 HG2 LYS 25 HG2 LYS 25 13.963 18.971 -4.779 208 HG3 LYS 25 HG3 LYS 25 13.782 17.724 -3.518 209 HD2 LYS 25 HD2 LYS 25 16.016 18.946 -3.569 210 HD3 LYS 25 HD3 LYS 25 16.117 17.177 -3.610 211 HE2 LYS 25 HE2 LYS 25 16.337 17.254 -6.082 212 HE3 LYS 25 HE3 LYS 25 16.354 19.027 -6.043 213 HZ1 LYS 25 HZ1 LYS 25 18.535 17.771 -6.101 214 HZ2 LYS 25 HZ2 LYS 25 18.220 17.161 -4.710 215 HZ3 LYS 25 HZ3 LYS 25 18.472 18.827 -4.776 216 H LEU 26 H LEU 26 12.573 13.910 -6.027 217 HA LEU 26 HA LEU 26 10.568 13.845 -3.876 218 HB2 LEU 26 HB2 LEU 26 10.395 14.014 -6.650 219 HB3 LEU 26 HB3 LEU 26 10.198 12.289 -6.397 220 HG LEU 26 HG LEU 26 8.388 12.820 -4.742 221 HD11 LEU 26 HD11 LEU 26 8.605 15.620 -5.901 222 HD12 LEU 26 HD12 LEU 26 8.903 15.170 -4.215 223 HD13 LEU 26 HD13 LEU 26 7.269 15.036 -4.875 224 HD21 LEU 26 HD21 LEU 26 7.721 12.107 -6.913 225 HD22 LEU 26 HD22 LEU 26 8.042 13.711 -7.625 226 HD23 LEU 26 HD23 LEU 26 6.680 13.468 -6.512 227 H GLU 27 H GLU 27 12.529 11.559 -5.765 228 HA GLU 27 HA GLU 27 12.188 9.271 -4.063 229 HB2 GLU 27 HB2 GLU 27 13.936 10.188 -6.315 230 HB3 GLU 27 HB3 GLU 27 14.606 8.927 -5.287 231 HG2 GLU 27 HG2 GLU 27 12.924 7.407 -5.731 232 HG3 GLU 27 HG3 GLU 27 11.729 8.627 -6.119 233 H HIS 28 H HIS 28 14.497 11.985 -3.785 234 HA HIS 28 HA HIS 28 15.930 11.141 -1.479 235 HB2 HIS 28 HB2 HIS 28 16.487 13.245 -2.505 236 HB3 HIS 28 HB3 HIS 28 14.814 13.817 -2.413 237 HD1 HIS 28 HD1 HIS 28 14.023 14.993 -0.022 238 HD2 HIS 28 HD2 HIS 28 17.859 13.221 -0.122 239 HE1 HIS 28 HE1 HIS 28 15.218 15.782 2.005 240 H GLU 29 H GLU 29 12.803 12.735 -1.774 241 HA GLU 29 HA GLU 29 12.363 12.999 1.029 242 HB2 GLU 29 HB2 GLU 29 11.241 13.988 -1.314 243 HB3 GLU 29 HB3 GLU 29 9.999 12.877 -0.816 244 HG2 GLU 29 HG2 GLU 29 9.346 14.929 0.071 245 HG3 GLU 29 HG3 GLU 29 9.889 13.953 1.430 246 H PHE 30 H PHE 30 11.286 10.730 -1.297 247 HA PHE 30 HA PHE 30 9.797 9.012 0.666 248 HB2 PHE 30 HB2 PHE 30 9.224 9.416 -2.283 249 HB3 PHE 30 HB3 PHE 30 8.166 8.683 -1.079 250 HD1 PHE 30 HD1 PHE 30 8.064 10.520 1.097 251 HD2 PHE 30 HD2 PHE 30 8.366 11.395 -3.079 252 HE1 PHE 30 HE1 PHE 30 7.057 12.717 1.510 253 HE2 PHE 30 HE2 PHE 30 7.442 13.676 -2.678 254 HZ PHE 30 HZ PHE 30 6.764 14.347 -0.402 255 HA PRO 31 HA PRO 31 12.930 6.712 -2.099 256 HB2 PRO 31 HB2 PRO 31 14.651 5.533 -0.319 257 HB3 PRO 31 HB3 PRO 31 14.886 7.138 -1.074 258 HG2 PRO 31 HG2 PRO 31 13.723 6.515 1.667 259 HG3 PRO 31 HG3 PRO 31 14.920 7.784 1.238 260 HD2 PRO 31 HD2 PRO 31 12.285 8.382 1.529 261 HD3 PRO 31 HD3 PRO 31 13.266 9.126 0.229 262 H GLY 32 H GLY 32 12.247 4.957 -2.781 263 HA2 GLY 32 HA2 GLY 32 10.944 3.044 -3.131 264 HA3 GLY 32 HA3 GLY 32 11.545 2.483 -1.567 265 H CYS 33 H CYS 33 9.928 5.139 -0.575 266 HA CYS 33 HA CYS 33 7.394 3.858 -0.082 267 HB2 CYS 33 HB2 CYS 33 8.065 6.792 0.119 268 HB3 CYS 33 HB3 CYS 33 6.701 5.952 0.858 269 HG CYS 33 HG CYS 33 8.257 4.262 2.237 270 H LEU 34 H LEU 34 8.769 5.339 -2.781 271 HA LEU 34 HA LEU 34 6.193 5.660 -4.175 272 HB2 LEU 34 HB2 LEU 34 8.210 7.770 -3.523 273 HB3 LEU 34 HB3 LEU 34 7.963 7.538 -5.260 274 HG LEU 34 HG LEU 34 5.484 7.547 -4.715 275 HD11 LEU 34 HD11 LEU 34 5.687 7.716 -2.212 276 HD12 LEU 34 HD12 LEU 34 4.710 9.000 -2.933 277 HD13 LEU 34 HD13 LEU 34 6.373 9.336 -2.432 278 HD21 LEU 34 HD21 LEU 34 7.071 10.116 -4.693 279 HD22 LEU 34 HD22 LEU 34 5.353 9.934 -5.170 280 HD23 LEU 34 HD23 LEU 34 6.614 9.163 -6.122 281 H ASP 35 H ASP 35 6.277 5.555 -6.357 282 HA ASP 35 HA ASP 35 8.775 4.817 -7.805 283 HB2 ASP 35 HB2 ASP 35 7.176 3.073 -8.186 284 HB3 ASP 35 HB3 ASP 35 5.884 4.246 -8.162 285 H ILE 36 H ILE 36 9.229 6.187 -9.321 286 HA ILE 36 HA ILE 36 7.280 7.939 -10.531 287 HB ILE 36 HB ILE 36 9.950 9.032 -9.890 288 HG12 ILE 36 HG12 ILE 36 8.182 10.846 -8.660 289 HG13 ILE 36 HG13 ILE 36 7.655 9.260 -8.125 290 HG21 ILE 36 HG21 ILE 36 9.081 11.219 -10.754 291 HG22 ILE 36 HG22 ILE 36 8.975 9.958 -11.978 292 HG23 ILE 36 HG23 ILE 36 7.523 10.437 -11.095 293 HD11 ILE 36 HD11 ILE 36 9.995 8.719 -7.489 294 HD12 ILE 36 HD12 ILE 36 10.516 10.341 -8.014 295 HD13 ILE 36 HD13 ILE 36 9.400 10.149 -6.625 296 H CYS 37 H CYS 37 7.383 7.501 -12.403 297 HA CYS 37 HA CYS 37 9.875 7.065 -14.026 298 HB2 CYS 37 HB2 CYS 37 7.177 5.731 -14.244 299 HB3 CYS 37 HB3 CYS 37 8.373 5.676 -15.551 300 HG CYS 37 HG CYS 37 8.616 4.551 -12.417 301 H GLY 38 H GLY 38 9.233 7.452 -16.441 302 HA2 GLY 38 HA2 GLY 38 7.111 9.315 -16.971 303 HA3 GLY 38 HA3 GLY 38 8.709 10.083 -17.095 304 H GLU 39 H GLU 39 6.844 9.763 -19.214 305 HA GLU 39 HA GLU 39 7.921 7.660 -21.020 306 HB2 GLU 39 HB2 GLU 39 5.110 8.459 -20.298 307 HB3 GLU 39 HB3 GLU 39 5.511 7.437 -21.693 308 HG2 GLU 39 HG2 GLU 39 6.558 5.762 -20.220 309 HG3 GLU 39 HG3 GLU 39 6.234 6.755 -18.798 310 H GLY 40 H GLY 40 9.137 9.242 -21.770 311 HA2 GLY 40 HA2 GLY 40 8.384 11.859 -22.625 312 HA3 GLY 40 HA3 GLY 40 9.937 11.087 -22.951 313 H THR 41 H THR 41 6.749 10.005 -24.149 314 HA THR 41 HA THR 41 7.569 9.301 -26.713 315 HB THR 41 HB THR 41 4.839 10.188 -25.929 316 HG1 THR 41 HG1 THR 41 4.608 7.951 -25.417 317 HG21 THR 41 HG21 THR 41 5.771 8.193 -28.046 318 HG22 THR 41 HG22 THR 41 5.033 9.780 -28.373 319 HG23 THR 41 HG23 THR 41 4.080 8.506 -27.601 320 HA PRO 42 HA PRO 42 8.064 13.609 -27.882 321 HB2 PRO 42 HB2 PRO 42 10.071 13.399 -29.678 322 HB3 PRO 42 HB3 PRO 42 10.280 12.930 -27.966 323 HG2 PRO 42 HG2 PRO 42 9.718 11.113 -30.323 324 HG3 PRO 42 HG3 PRO 42 10.937 10.909 -29.023 325 HD2 PRO 42 HD2 PRO 42 8.408 9.738 -29.020 326 HD3 PRO 42 HD3 PRO 42 9.296 10.106 -27.517 327 H GLN 43 H GLN 43 5.763 13.417 -28.709 328 HA GLN 43 HA GLN 43 5.715 13.673 -31.705 329 HB2 GLN 43 HB2 GLN 43 4.158 11.993 -29.843 330 HB3 GLN 43 HB3 GLN 43 3.157 12.826 -31.020 331 HG2 GLN 43 HG2 GLN 43 5.638 11.246 -31.816 332 HG3 GLN 43 HG3 GLN 43 4.038 10.530 -31.674 333 HE21 GLN 43 HE21 GLN 43 4.017 13.893 -33.065 334 HE22 GLN 43 HE22 GLN 43 3.825 13.179 -34.670 335 H VAL 44 H VAL 44 4.583 15.446 -28.877 336 HA VAL 44 HA VAL 44 3.384 17.384 -30.810 337 HB VAL 44 HB VAL 44 1.918 16.580 -28.276 338 HG11 VAL 44 HG11 VAL 44 1.536 18.927 -28.914 339 HG12 VAL 44 HG12 VAL 44 1.241 18.450 -30.602 340 HG13 VAL 44 HG13 VAL 44 0.109 17.976 -29.322 341 HG21 VAL 44 HG21 VAL 44 1.291 15.933 -31.190 342 HG22 VAL 44 HG22 VAL 44 1.689 14.765 -29.910 343 HG23 VAL 44 HG23 VAL 44 0.187 15.684 -29.823 344 H THR 45 H THR 45 4.797 18.896 -30.661 345 HA THR 45 HA THR 45 5.757 20.828 -30.043 346 HB THR 45 HB THR 45 3.219 20.980 -28.398 347 HG1 THR 45 HG1 THR 45 2.416 21.784 -30.393 348 HG21 THR 45 HG21 THR 45 4.652 22.996 -28.146 349 HG22 THR 45 HG22 THR 45 3.220 23.350 -29.125 350 HG23 THR 45 HG23 THR 45 4.793 23.109 -29.914 351 H GLY 46 H GLY 46 4.496 19.823 -26.843 352 HA2 GLY 46 HA2 GLY 46 6.823 20.448 -25.296 353 HA3 GLY 46 HA3 GLY 46 5.981 21.966 -25.604 354 H PHE 47 H PHE 47 4.141 19.000 -25.110 355 HA PHE 47 HA PHE 47 2.894 19.943 -22.621 356 HB2 PHE 47 HB2 PHE 47 2.815 17.234 -23.986 357 HB3 PHE 47 HB3 PHE 47 1.738 17.792 -22.705 358 HD1 PHE 47 HD2 PHE 47 1.480 20.728 -24.150 359 HD2 PHE 47 HD1 PHE 47 0.882 16.616 -25.341 360 HE1 PHE 47 HE2 PHE 47 -0.108 21.457 -25.889 361 HE2 PHE 47 HE1 PHE 47 -0.772 17.366 -27.035 362 HZ PHE 47 HZ PHE 47 -1.245 19.786 -27.330 363 H PHE 48 H PHE 48 2.996 18.624 -20.636 364 HA PHE 48 HA PHE 48 5.263 16.974 -19.972 365 HB2 PHE 48 HB2 PHE 48 6.274 19.365 -20.161 366 HB3 PHE 48 HB3 PHE 48 5.369 19.731 -18.700 367 HD1 PHE 48 HD1 PHE 48 5.818 18.404 -16.560 368 HD2 PHE 48 HD2 PHE 48 8.325 18.212 -20.044 369 HE1 PHE 48 HE1 PHE 48 7.694 17.551 -15.167 370 HE2 PHE 48 HE2 PHE 48 10.192 17.332 -18.670 371 HZ PHE 48 HZ PHE 48 9.884 17.028 -16.216 372 H GLU 49 H GLU 49 3.438 15.724 -19.230 373 HA GLU 49 HA GLU 49 1.547 17.038 -17.394 374 HB2 GLU 49 HB2 GLU 49 1.243 14.587 -19.148 375 HB3 GLU 49 HB3 GLU 49 0.003 15.604 -18.441 376 HG2 GLU 49 HG2 GLU 49 1.867 16.379 -20.729 377 HG3 GLU 49 HG3 GLU 49 0.191 15.902 -20.872 378 H VAL 50 H VAL 50 1.489 16.390 -15.249 379 HA VAL 50 HA VAL 50 3.041 13.882 -14.666 380 HB VAL 50 HB VAL 50 3.609 16.437 -13.723 381 HG11 VAL 50 HG11 VAL 50 3.502 16.281 -11.291 382 HG12 VAL 50 HG12 VAL 50 1.859 16.206 -11.916 383 HG13 VAL 50 HG13 VAL 50 2.667 14.718 -11.369 384 HG21 VAL 50 HG21 VAL 50 5.152 14.656 -14.106 385 HG22 VAL 50 HG22 VAL 50 5.362 15.337 -12.490 386 HG23 VAL 50 HG23 VAL 50 4.549 13.765 -12.684 387 H THR 51 H THR 51 2.212 12.324 -13.591 388 HA THR 51 HA THR 51 -0.461 12.670 -12.297 389 HB THR 51 HB THR 51 0.143 10.194 -13.893 390 HG1 THR 51 HG1 THR 51 -0.623 12.708 -14.816 391 HG21 THR 51 HG21 THR 51 -1.736 10.066 -12.415 392 HG22 THR 51 HG22 THR 51 -2.187 9.905 -14.118 393 HG23 THR 51 HG23 THR 51 -2.513 11.428 -13.291 394 H VAL 52 H VAL 52 -0.681 11.585 -10.454 395 HA VAL 52 HA VAL 52 1.290 9.536 -9.566 396 HB VAL 52 HB VAL 52 1.748 11.506 -8.343 397 HG11 VAL 52 HG11 VAL 52 0.129 12.805 -7.026 398 HG12 VAL 52 HG12 VAL 52 -0.211 12.892 -8.754 399 HG13 VAL 52 HG13 VAL 52 -1.203 11.859 -7.703 400 HG21 VAL 52 HG21 VAL 52 1.249 10.890 -6.044 401 HG22 VAL 52 HG22 VAL 52 -0.120 9.899 -6.542 402 HG23 VAL 52 HG23 VAL 52 1.526 9.403 -6.957 403 H ALA 53 H ALA 53 0.477 7.635 -9.178 404 HA ALA 53 HA ALA 53 -1.052 5.937 -9.306 405 HB1 ALA 53 HB1 ALA 53 -0.751 6.398 -6.924 406 HB2 ALA 53 HB2 ALA 53 -2.157 7.490 -6.941 407 HB3 ALA 53 HB3 ALA 53 -2.369 5.753 -7.258 408 H GLY 54 H GLY 54 -1.773 7.898 -11.199 409 HA2 GLY 54 HA2 GLY 54 -3.545 8.047 -12.793 410 HA3 GLY 54 HA3 GLY 54 -4.599 7.180 -11.670 411 H LYS 55 H LYS 55 -2.844 10.110 -10.781 412 HA LYS 55 HA LYS 55 -5.286 11.826 -10.916 413 HB2 LYS 55 HB2 LYS 55 -3.357 11.713 -8.657 414 HB3 LYS 55 HB3 LYS 55 -4.759 12.768 -8.745 415 HG2 LYS 55 HG2 LYS 55 -4.783 9.720 -8.511 416 HG3 LYS 55 HG3 LYS 55 -5.082 10.861 -7.196 417 HD2 LYS 55 HD2 LYS 55 -7.151 11.607 -8.151 418 HD3 LYS 55 HD3 LYS 55 -6.794 10.850 -9.710 419 HE2 LYS 55 HE2 LYS 55 -6.698 8.612 -8.473 420 HE3 LYS 55 HE3 LYS 55 -7.450 9.449 -7.102 421 HZ1 LYS 55 HZ1 LYS 55 -9.100 8.420 -8.567 422 HZ2 LYS 55 HZ2 LYS 55 -8.542 9.273 -9.856 423 HZ3 LYS 55 HZ3 LYS 55 -9.276 10.060 -8.612 424 H LEU 56 H LEU 56 -4.753 13.293 -12.469 425 HA LEU 56 HA LEU 56 -2.014 14.159 -12.886 426 HB2 LEU 56 HB2 LEU 56 -3.464 14.032 -14.713 427 HB3 LEU 56 HB3 LEU 56 -4.646 15.160 -14.016 428 HG LEU 56 HG LEU 56 -1.788 16.075 -14.418 429 HD11 LEU 56 HD11 LEU 56 -2.269 14.947 -16.532 430 HD12 LEU 56 HD12 LEU 56 -2.239 16.703 -16.752 431 HD13 LEU 56 HD13 LEU 56 -3.800 15.843 -16.687 432 HD21 LEU 56 HD21 LEU 56 -2.860 18.211 -14.950 433 HD22 LEU 56 HD22 LEU 56 -3.488 17.613 -13.413 434 HD23 LEU 56 HD23 LEU 56 -4.471 17.458 -14.876 435 H VAL 57 H VAL 57 -0.988 15.684 -12.101 436 HA VAL 57 HA VAL 57 -2.305 17.627 -10.175 437 HB VAL 57 HB VAL 57 0.445 16.356 -9.954 438 HG11 VAL 57 HG11 VAL 57 -0.900 18.426 -8.161 439 HG12 VAL 57 HG12 VAL 57 0.544 17.488 -7.708 440 HG13 VAL 57 HG13 VAL 57 0.624 18.616 -9.058 441 HG21 VAL 57 HG21 VAL 57 -0.477 15.395 -7.847 442 HG22 VAL 57 HG22 VAL 57 -2.058 16.121 -8.221 443 HG23 VAL 57 HG23 VAL 57 -1.391 14.853 -9.260 444 H HIS 58 H HIS 58 -0.240 17.216 -12.902 445 HA HIS 58 HA HIS 58 0.202 20.160 -13.104 446 HB2 HIS 58 HB2 HIS 58 2.079 18.877 -11.988 447 HB3 HIS 58 HB3 HIS 58 2.211 17.968 -13.495 448 HD1 HIS 58 HD1 HIS 58 2.191 21.875 -12.942 449 HD2 HIS 58 HD2 HIS 58 4.061 18.678 -15.022 450 HE1 HIS 58 HE1 HIS 58 3.796 22.882 -14.586 451 H SER 59 H SER 59 0.818 20.883 -15.154 452 HA SER 59 HA SER 59 0.612 19.189 -17.522 453 HB2 SER 59 HB2 SER 59 -1.827 19.729 -16.614 454 HB3 SER 59 HB3 SER 59 -1.426 21.345 -16.994 455 HG SER 59 HG SER 59 -1.274 19.300 -18.966 456 H LYS 60 H LYS 60 2.439 20.204 -18.583 457 HA LYS 60 HA LYS 60 2.628 23.074 -18.895 458 HB2 LYS 60 HB2 LYS 60 3.890 20.676 -19.968 459 HB3 LYS 60 HB3 LYS 60 3.646 21.844 -21.240 460 HG2 LYS 60 HG2 LYS 60 5.117 22.298 -18.598 461 HG3 LYS 60 HG3 LYS 60 5.860 22.052 -20.183 462 HD2 LYS 60 HD2 LYS 60 4.275 24.454 -19.223 463 HD3 LYS 60 HD3 LYS 60 5.969 24.366 -19.733 464 HE2 LYS 60 HE2 LYS 60 5.158 23.699 -22.040 465 HE3 LYS 60 HE3 LYS 60 3.511 23.947 -21.498 466 HZ1 LYS 60 HZ1 LYS 60 5.532 26.112 -21.576 467 HZ2 LYS 60 HZ2 LYS 60 3.971 26.259 -21.069 468 HZ3 LYS 60 HZ3 LYS 60 4.286 25.892 -22.634 469 H LYS 61 H LYS 61 0.683 20.651 -20.513 470 HA LYS 61 HA LYS 61 -0.250 22.157 -22.776 471 HB2 LYS 61 HB2 LYS 61 -0.628 19.696 -22.325 472 HB3 LYS 61 HB3 LYS 61 -1.837 20.164 -21.114 473 HG2 LYS 61 HG2 LYS 61 -3.029 21.442 -23.012 474 HG3 LYS 61 HG3 LYS 61 -1.963 20.575 -24.108 475 HD2 LYS 61 HD2 LYS 61 -4.070 19.439 -22.229 476 HD3 LYS 61 HD3 LYS 61 -4.057 19.440 -23.985 477 HE2 LYS 61 HE2 LYS 61 -3.418 17.293 -23.690 478 HE3 LYS 61 HE3 LYS 61 -1.812 18.031 -23.677 479 HZ1 LYS 61 HZ1 LYS 61 -2.236 16.448 -21.806 480 HZ2 LYS 61 HZ2 LYS 61 -3.394 17.447 -21.216 481 HZ3 LYS 61 HZ3 LYS 61 -1.843 17.919 -21.235 482 H ARG 62 H ARG 62 -1.668 21.954 -19.482 483 HA ARG 62 HA ARG 62 -3.734 23.900 -20.066 484 HB2 ARG 62 HB2 ARG 62 -4.614 23.279 -18.114 485 HB3 ARG 62 HB3 ARG 62 -3.569 21.890 -18.335 486 HG2 ARG 62 HG2 ARG 62 -3.096 22.290 -16.155 487 HG3 ARG 62 HG3 ARG 62 -1.887 23.379 -16.877 488 HD2 ARG 62 HD2 ARG 62 -4.113 24.957 -16.694 489 HD3 ARG 62 HD3 ARG 62 -4.339 23.913 -15.296 490 HE ARG 62 HE ARG 62 -1.936 24.562 -14.651 491 HH11 ARG 62 HH11 ARG 62 -3.293 26.762 -16.902 492 HH12 ARG 62 HH12 ARG 62 -2.823 28.181 -15.988 493 HH21 ARG 62 HH21 ARG 62 -1.434 26.231 -13.455 494 HH22 ARG 62 HH22 ARG 62 -1.637 27.877 -14.065 495 H GLY 63 H GLY 63 -0.476 24.285 -19.230 496 HA2 GLY 63 HA2 GLY 63 0.627 26.347 -19.427 497 HA3 GLY 63 HA3 GLY 63 -0.866 27.237 -19.068 498 H ASP 64 H ASP 64 0.267 24.417 -17.153 499 HA ASP 64 HA ASP 64 0.304 26.038 -14.788 500 HB2 ASP 64 HB2 ASP 64 -0.171 23.476 -15.224 501 HB3 ASP 64 HB3 ASP 64 1.563 23.319 -14.959 502 H GLY 65 H GLY 65 2.898 25.027 -16.894 503 HA2 GLY 65 HA2 GLY 65 5.129 25.786 -17.014 504 HA3 GLY 65 HA3 GLY 65 4.751 27.006 -15.783 505 H TYR 66 H TYR 66 7.150 25.492 -15.974 506 HA TYR 66 HA TYR 66 7.227 23.176 -14.301 507 HB2 TYR 66 HB2 TYR 66 9.445 25.085 -15.131 508 HB3 TYR 66 HB3 TYR 66 9.650 23.440 -14.551 509 HD1 TYR 66 HD1 TYR 66 7.713 21.817 -16.025 510 HD2 TYR 66 HD2 TYR 66 10.222 25.080 -17.338 511 HE1 TYR 66 HE1 TYR 66 7.750 20.866 -18.296 512 HE2 TYR 66 HE2 TYR 66 10.258 24.121 -19.643 513 HH TYR 66 HH TYR 66 8.215 21.363 -20.496 514 H VAL 67 H VAL 67 9.409 23.532 -12.619 515 HA VAL 67 HA VAL 67 8.093 24.928 -10.386 516 HB VAL 67 HB VAL 67 9.821 24.240 -8.993 517 HG11 VAL 67 HG11 VAL 67 8.991 21.861 -8.859 518 HG12 VAL 67 HG12 VAL 67 7.689 23.034 -9.155 519 HG13 VAL 67 HG13 VAL 67 8.306 22.037 -10.483 520 HG21 VAL 67 HG21 VAL 67 11.295 22.314 -9.580 521 HG22 VAL 67 HG22 VAL 67 10.675 22.315 -11.240 522 HG23 VAL 67 HG23 VAL 67 11.663 23.675 -10.649 523 H ASP 68 H ASP 68 8.214 26.637 -11.647 524 HA ASP 68 HA ASP 68 10.279 28.499 -12.123 525 HB2 ASP 68 HB2 ASP 68 7.362 28.861 -11.598 526 HB3 ASP 68 HB3 ASP 68 8.413 30.023 -12.368 527 H THR 69 H THR 69 8.710 27.590 -9.178 528 HA THR 69 HA THR 69 10.389 29.420 -7.657 529 HB THR 69 HB THR 69 7.623 29.509 -6.673 530 HG1 THR 69 HG1 THR 69 8.391 30.853 -9.016 531 HG21 THR 69 HG21 THR 69 8.179 31.869 -6.203 532 HG22 THR 69 HG22 THR 69 9.715 31.681 -7.071 533 HG23 THR 69 HG23 THR 69 9.425 30.784 -5.562 534 H GLU 70 H GLU 70 10.366 28.965 -5.412 535 HA GLU 70 HA GLU 70 10.287 26.274 -4.545 536 HB2 GLU 70 HB2 GLU 70 10.109 28.966 -3.128 537 HB3 GLU 70 HB3 GLU 70 10.016 27.473 -2.195 538 HG2 GLU 70 HG2 GLU 70 12.333 28.122 -4.064 539 HG3 GLU 70 HG3 GLU 70 12.298 28.560 -2.354 540 H SER 71 H SER 71 7.770 28.727 -4.272 541 HA SER 71 HA SER 71 5.936 27.036 -2.833 542 HB2 SER 71 HB2 SER 71 5.910 29.652 -3.483 543 HB3 SER 71 HB3 SER 71 4.802 29.076 -4.738 544 HG SER 71 HG SER 71 3.751 29.637 -2.732 545 H LYS 72 H LYS 72 6.680 27.225 -6.227 546 HA LYS 72 HA LYS 72 4.419 25.644 -7.142 547 HB2 LYS 72 HB2 LYS 72 5.899 27.221 -8.596 548 HB3 LYS 72 HB3 LYS 72 7.022 25.857 -8.647 549 HG2 LYS 72 HG2 LYS 72 5.797 25.149 -10.433 550 HG3 LYS 72 HG3 LYS 72 4.658 24.567 -9.249 551 HD2 LYS 72 HD2 LYS 72 3.361 25.808 -10.815 552 HD3 LYS 72 HD3 LYS 72 3.492 26.835 -9.387 553 HE2 LYS 72 HE2 LYS 72 4.039 28.413 -10.970 554 HE3 LYS 72 HE3 LYS 72 5.657 27.763 -10.684 555 HZ1 LYS 72 HZ1 LYS 72 3.874 26.990 -12.949 556 HZ2 LYS 72 HZ2 LYS 72 5.299 26.261 -12.594 557 HZ3 LYS 72 HZ3 LYS 72 5.307 27.806 -13.037 558 H PHE 73 H PHE 73 7.845 24.975 -6.438 559 HA PHE 73 HA PHE 73 7.682 22.126 -6.900 560 HB2 PHE 73 HB2 PHE 73 9.830 23.288 -6.840 561 HB3 PHE 73 HB3 PHE 73 9.559 23.778 -5.174 562 HD1 PHE 73 HD2 PHE 73 9.207 20.431 -6.955 563 HD2 PHE 73 HD1 PHE 73 11.081 22.699 -3.777 564 HE1 PHE 73 HE2 PHE 73 10.215 18.358 -6.067 565 HE2 PHE 73 HE1 PHE 73 12.090 20.608 -2.909 566 HZ PHE 73 HZ PHE 73 11.602 18.433 -4.013 567 H ARG 74 H ARG 74 7.366 23.991 -3.925 568 HA ARG 74 HA ARG 74 6.918 21.903 -2.108 569 HB2 ARG 74 HB2 ARG 74 7.346 24.287 -1.455 570 HB3 ARG 74 HB3 ARG 74 5.734 24.725 -2.041 571 HG2 ARG 74 HG2 ARG 74 4.648 23.338 -0.397 572 HG3 ARG 74 HG3 ARG 74 6.186 22.621 0.131 573 HD2 ARG 74 HD2 ARG 74 6.843 24.653 1.185 574 HD3 ARG 74 HD3 ARG 74 5.566 25.569 0.351 575 HE ARG 74 HE ARG 74 4.442 23.428 1.953 576 HH11 ARG 74 HH11 ARG 74 5.772 26.626 2.209 577 HH12 ARG 74 HH12 ARG 74 4.763 27.078 3.555 578 HH21 ARG 74 HH21 ARG 74 3.135 24.058 3.716 579 HH22 ARG 74 HH22 ARG 74 3.321 25.647 4.393 580 H LYS 75 H LYS 75 4.626 23.217 -4.411 581 HA LYS 75 HA LYS 75 2.195 22.203 -3.360 582 HB2 LYS 75 HB2 LYS 75 2.754 23.692 -5.508 583 HB3 LYS 75 HB3 LYS 75 2.982 22.140 -6.314 584 HG2 LYS 75 HG2 LYS 75 0.776 22.671 -6.813 585 HG3 LYS 75 HG3 LYS 75 0.596 21.541 -5.458 586 HD2 LYS 75 HD2 LYS 75 0.451 23.498 -3.902 587 HD3 LYS 75 HD3 LYS 75 0.637 24.582 -5.297 588 HE2 LYS 75 HE2 LYS 75 -1.428 23.617 -6.322 589 HE3 LYS 75 HE3 LYS 75 -1.637 22.571 -4.912 590 HZ1 LYS 75 HZ1 LYS 75 -1.829 24.593 -3.556 591 HZ2 LYS 75 HZ2 LYS 75 -2.994 24.561 -4.721 592 HZ3 LYS 75 HZ3 LYS 75 -1.691 25.540 -4.891 593 H LEU 76 H LEU 76 4.721 20.752 -5.264 594 HA LEU 76 HA LEU 76 3.310 18.154 -5.470 595 HB2 LEU 76 HB2 LEU 76 4.998 19.188 -7.221 596 HB3 LEU 76 HB3 LEU 76 6.260 18.729 -6.080 597 HG LEU 76 HG LEU 76 5.375 16.319 -6.255 598 HD11 LEU 76 HD11 LEU 76 3.998 17.527 -8.701 599 HD12 LEU 76 HD12 LEU 76 3.179 16.812 -7.290 600 HD13 LEU 76 HD13 LEU 76 4.156 15.790 -8.359 601 HD21 LEU 76 HD21 LEU 76 7.448 17.090 -7.366 602 HD22 LEU 76 HD22 LEU 76 6.504 17.610 -8.777 603 HD23 LEU 76 HD23 LEU 76 6.585 15.887 -8.343 604 H VAL 77 H VAL 77 6.094 19.404 -3.804 605 HA VAL 77 HA VAL 77 6.677 16.939 -2.418 606 HB VAL 77 HB VAL 77 7.188 19.774 -1.380 607 HG11 VAL 77 HG11 VAL 77 7.396 18.192 0.479 608 HG12 VAL 77 HG12 VAL 77 8.411 17.118 -0.518 609 HG13 VAL 77 HG13 VAL 77 9.009 18.706 -0.025 610 HG21 VAL 77 HG21 VAL 77 9.021 17.854 -2.884 611 HG22 VAL 77 HG22 VAL 77 8.325 19.353 -3.538 612 HG23 VAL 77 HG23 VAL 77 9.486 19.428 -2.211 613 H THR 78 H THR 78 4.502 19.544 -1.526 614 HA THR 78 HA THR 78 3.767 18.336 0.972 615 HB THR 78 HB THR 78 2.143 20.305 -0.716 616 HG1 THR 78 HG1 THR 78 4.039 21.187 -0.271 617 HG21 THR 78 HG21 THR 78 2.036 19.701 2.276 618 HG22 THR 78 HG22 THR 78 0.762 19.336 1.090 619 HG23 THR 78 HG23 THR 78 1.163 21.019 1.461 620 H ALA 79 H ALA 79 2.492 17.971 -2.306 621 HA ALA 79 HA ALA 79 0.157 16.574 -1.173 622 HB1 ALA 79 HB1 ALA 79 1.083 16.911 -4.075 623 HB2 ALA 79 HB2 ALA 79 -0.501 16.285 -3.569 624 HB3 ALA 79 HB3 ALA 79 -0.070 17.976 -3.241 625 H ILE 80 H ILE 80 3.234 15.708 -2.390 626 HA ILE 80 HA ILE 80 2.417 12.859 -2.706 627 HB ILE 80 HB ILE 80 5.096 14.209 -3.047 628 HG12 ILE 80 HG12 ILE 80 3.430 14.955 -4.754 629 HG13 ILE 80 HG13 ILE 80 4.783 14.063 -5.430 630 HG21 ILE 80 HG21 ILE 80 4.163 11.386 -3.779 631 HG22 ILE 80 HG22 ILE 80 5.740 12.106 -4.220 632 HG23 ILE 80 HG23 ILE 80 5.326 11.785 -2.532 633 HD11 ILE 80 HD11 ILE 80 3.352 12.106 -5.775 634 HD12 ILE 80 HD12 ILE 80 2.000 12.926 -4.944 635 HD13 ILE 80 HD13 ILE 80 2.615 13.544 -6.486 636 H LYS 81 H LYS 81 3.868 14.955 -0.324 637 HA LYS 81 HA LYS 81 4.891 12.760 1.385 638 HB2 LYS 81 HB2 LYS 81 5.658 15.230 1.335 639 HB3 LYS 81 HB3 LYS 81 4.226 15.628 2.258 640 HG2 LYS 81 HG2 LYS 81 5.160 14.913 4.193 641 HG3 LYS 81 HG3 LYS 81 5.682 13.389 3.487 642 HD2 LYS 81 HD2 LYS 81 7.587 14.628 4.352 643 HD3 LYS 81 HD3 LYS 81 7.732 14.430 2.609 644 HE2 LYS 81 HE2 LYS 81 6.983 16.725 2.224 645 HE3 LYS 81 HE3 LYS 81 6.716 16.955 3.965 646 HZ1 LYS 81 HZ1 LYS 81 9.184 16.476 4.212 647 HZ2 LYS 81 HZ2 LYS 81 8.906 17.835 3.311 648 HZ3 LYS 81 HZ3 LYS 81 9.328 16.473 2.603 649 H ALA 82 H ALA 82 2.059 14.735 1.171 650 HA ALA 82 HA ALA 82 0.563 13.583 3.381 651 HB1 ALA 82 HB1 ALA 82 -0.466 14.766 0.758 652 HB2 ALA 82 HB2 ALA 82 -1.439 14.426 2.205 653 HB3 ALA 82 HB3 ALA 82 -0.164 15.659 2.265 654 H ALA 83 H ALA 83 0.566 12.709 -0.126 655 HA ALA 83 HA ALA 83 -1.005 10.369 0.276 656 HB1 ALA 83 HB1 ALA 83 0.938 11.002 -1.975 657 HB2 ALA 83 HB2 ALA 83 -0.393 9.813 -2.018 658 HB3 ALA 83 HB3 ALA 83 -0.753 11.544 -1.887 659 H LEU 84 H LEU 84 2.348 10.839 0.748 660 HA LEU 84 HA LEU 84 3.225 8.086 0.889 661 HB2 LEU 84 HB2 LEU 84 4.659 10.231 0.933 662 HB3 LEU 84 HB3 LEU 84 4.216 10.376 2.623 663 HG LEU 84 HG LEU 84 6.181 8.694 1.259 664 HD11 LEU 84 HD11 LEU 84 7.484 9.131 3.232 665 HD12 LEU 84 HD12 LEU 84 6.044 9.635 4.141 666 HD13 LEU 84 HD13 LEU 84 6.639 10.632 2.807 667 HD21 LEU 84 HD21 LEU 84 4.817 7.566 3.758 668 HD22 LEU 84 HD22 LEU 84 6.317 6.974 3.042 669 HD23 LEU 84 HD23 LEU 84 4.808 6.817 2.138 670 H ALA 85 H ALA 85 2.271 10.314 3.484 671 HA ALA 85 HA ALA 85 2.137 8.346 5.548 672 HB1 ALA 85 HB1 ALA 85 0.935 10.089 6.827 673 HB2 ALA 85 HB2 ALA 85 2.314 10.779 5.948 674 HB3 ALA 85 HB3 ALA 85 0.662 11.007 5.330 675 H GLN 86 H GLN 86 -0.062 8.924 3.077 676 HA GLN 86 HA GLN 86 -2.338 7.538 4.373 677 HB2 GLN 86 HB2 GLN 86 -2.593 9.544 2.846 678 HB3 GLN 86 HB3 GLN 86 -2.159 8.491 1.492 679 HG2 GLN 86 HG2 GLN 86 -4.143 7.111 1.882 680 HG3 GLN 86 HG3 GLN 86 -4.475 7.946 3.406 681 HE21 GLN 86 HE21 GLN 86 -4.996 8.107 -0.088 682 HE22 GLN 86 HE22 GLN 86 -5.787 9.695 0.047 683 H CYS 87 H CYS 87 -0.063 6.969 1.816 684 HA CYS 87 HA CYS 87 -0.743 4.234 1.181 685 HB2 CYS 87 HB2 CYS 87 0.734 5.916 -0.087 686 HB3 CYS 87 HB3 CYS 87 2.023 5.508 1.046 687 HG CYS 87 HG CYS 87 0.284 3.407 -0.924 688 H GLN 88 H GLN 88 1.244 5.670 3.695 689 HA GLN 88 HA GLN 88 2.430 3.269 4.701 690 HB2 GLN 88 HB2 GLN 88 3.113 5.562 5.328 691 HB3 GLN 88 HB3 GLN 88 1.651 5.724 6.325 692 HG2 GLN 88 HG2 GLN 88 2.387 3.936 7.801 693 HG3 GLN 88 HG3 GLN 88 3.725 3.519 6.705 694 HE21 GLN 88 HE21 GLN 88 4.829 3.756 9.005 695 HE22 GLN 88 HE22 GLN 88 5.395 5.424 9.272 Start of MODEL 20 1 H1 MET 1 H1 MET 1 4.264 -1.134 0.484 2 H2 MET 1 H2 MET 1 2.930 -0.814 -0.378 3 H3 MET 1 H3 MET 1 2.778 -1.482 1.112 4 HA MET 1 HA MET 1 2.262 0.945 1.036 5 HB2 MET 1 HB2 MET 1 3.547 1.475 3.085 6 HB3 MET 1 HB3 MET 1 2.669 -0.036 3.166 7 HG2 MET 1 HG2 MET 1 4.622 -1.361 2.937 8 HG3 MET 1 HG3 MET 1 5.620 0.011 2.469 9 HE1 MET 1 HE1 MET 1 6.330 1.913 5.721 10 HE2 MET 1 HE2 MET 1 6.717 1.696 4.002 11 HE3 MET 1 HE3 MET 1 5.127 2.327 4.482 12 H ALA 2 H ALA 2 3.333 1.339 -1.382 13 HA ALA 2 HA ALA 2 5.218 3.475 -0.902 14 HB1 ALA 2 HB1 ALA 2 5.923 1.163 -2.772 15 HB2 ALA 2 HB2 ALA 2 6.824 2.683 -2.629 16 HB3 ALA 2 HB3 ALA 2 6.759 1.573 -1.254 17 H LEU 3 H LEU 3 5.367 4.933 -2.715 18 HA LEU 3 HA LEU 3 2.748 5.019 -4.103 19 HB2 LEU 3 HB2 LEU 3 3.815 6.735 -2.285 20 HB3 LEU 3 HB3 LEU 3 4.476 7.386 -3.809 21 HG LEU 3 HG LEU 3 2.214 7.558 -4.720 22 HD11 LEU 3 HD11 LEU 3 0.965 6.044 -3.227 23 HD12 LEU 3 HD12 LEU 3 0.298 7.678 -3.172 24 HD13 LEU 3 HD13 LEU 3 1.330 7.096 -1.851 25 HD21 LEU 3 HD21 LEU 3 2.785 9.114 -2.149 26 HD22 LEU 3 HD22 LEU 3 1.764 9.648 -3.500 27 HD23 LEU 3 HD23 LEU 3 3.504 9.461 -3.735 28 H ALA 4 H ALA 4 2.766 4.622 -6.093 29 HA ALA 4 HA ALA 4 4.945 4.631 -7.966 30 HB1 ALA 4 HB1 ALA 4 1.970 4.003 -8.096 31 HB2 ALA 4 HB2 ALA 4 3.062 3.775 -9.459 32 HB3 ALA 4 HB3 ALA 4 3.331 2.865 -7.960 33 H VAL 5 H VAL 5 5.730 6.598 -8.820 34 HA VAL 5 HA VAL 5 3.728 8.508 -9.899 35 HB VAL 5 HB VAL 5 6.587 9.064 -9.346 36 HG11 VAL 5 HG11 VAL 5 4.322 11.024 -9.693 37 HG12 VAL 5 HG12 VAL 5 6.004 11.425 -9.321 38 HG13 VAL 5 HG13 VAL 5 5.611 10.697 -10.874 39 HG21 VAL 5 HG21 VAL 5 4.357 9.964 -7.522 40 HG22 VAL 5 HG22 VAL 5 5.354 8.538 -7.173 41 HG23 VAL 5 HG23 VAL 5 6.096 10.133 -7.271 42 H ARG 6 H ARG 6 3.914 9.270 -11.834 43 HA ARG 6 HA ARG 6 5.836 8.273 -13.865 44 HB2 ARG 6 HB2 ARG 6 3.099 7.318 -13.534 45 HB3 ARG 6 HB3 ARG 6 3.189 8.229 -15.039 46 HG2 ARG 6 HG2 ARG 6 3.547 5.854 -15.432 47 HG3 ARG 6 HG3 ARG 6 4.965 6.811 -15.869 48 HD2 ARG 6 HD2 ARG 6 5.777 4.873 -14.871 49 HD3 ARG 6 HD3 ARG 6 6.041 6.154 -13.707 50 HE ARG 6 HE ARG 6 3.641 4.414 -13.356 51 HH11 ARG 6 HH11 ARG 6 6.693 5.364 -11.993 52 HH12 ARG 6 HH12 ARG 6 6.811 3.984 -10.939 53 HH21 ARG 6 HH21 ARG 6 3.709 2.802 -11.610 54 HH22 ARG 6 HH22 ARG 6 5.151 2.934 -10.575 55 H VAL 7 H VAL 7 5.892 9.570 -15.882 56 HA VAL 7 HA VAL 7 4.445 12.105 -15.897 57 HB VAL 7 HB VAL 7 7.441 12.137 -16.255 58 HG11 VAL 7 HG11 VAL 7 5.469 14.411 -16.037 59 HG12 VAL 7 HG12 VAL 7 7.246 14.540 -16.168 60 HG13 VAL 7 HG13 VAL 7 6.310 13.863 -17.503 61 HG21 VAL 7 HG21 VAL 7 7.598 13.432 -14.149 62 HG22 VAL 7 HG22 VAL 7 5.888 13.035 -13.818 63 HG23 VAL 7 HG23 VAL 7 7.106 11.759 -13.871 64 H VAL 8 H VAL 8 3.634 12.185 -17.841 65 HA VAL 8 HA VAL 8 5.023 10.927 -20.166 66 HB VAL 8 HB VAL 8 2.694 10.539 -20.129 67 HG11 VAL 8 HG11 VAL 8 2.190 13.508 -20.406 68 HG12 VAL 8 HG12 VAL 8 0.987 12.207 -20.501 69 HG13 VAL 8 HG13 VAL 8 1.844 12.491 -18.981 70 HG21 VAL 8 HG21 VAL 8 3.888 10.765 -22.306 71 HG22 VAL 8 HG22 VAL 8 2.161 11.132 -22.413 72 HG23 VAL 8 HG23 VAL 8 3.343 12.456 -22.400 73 H TYR 9 H TYR 9 6.486 11.977 -21.358 74 HA TYR 9 HA TYR 9 6.208 14.949 -21.496 75 HB2 TYR 9 HB2 TYR 9 7.898 14.352 -19.776 76 HB3 TYR 9 HB3 TYR 9 8.796 13.455 -20.990 77 HD1 TYR 9 HD1 TYR 9 7.250 16.893 -20.942 78 HD2 TYR 9 HD2 TYR 9 10.820 14.578 -21.459 79 HE1 TYR 9 HE1 TYR 9 8.476 18.967 -21.433 80 HE2 TYR 9 HE2 TYR 9 12.082 16.719 -21.917 81 HH TYR 9 HH TYR 9 11.807 18.972 -22.530 82 H SER 10 H SER 10 6.928 15.922 -23.232 83 HA SER 10 HA SER 10 7.697 14.435 -25.680 84 HB2 SER 10 HB2 SER 10 7.464 16.507 -26.810 85 HB3 SER 10 HB3 SER 10 5.987 16.189 -25.880 86 HG SER 10 HG SER 10 8.051 17.745 -24.806 87 H GLY 11 H GLY 11 9.769 13.762 -25.311 88 HA2 GLY 11 HA2 GLY 11 11.785 15.068 -23.793 89 HA3 GLY 11 HA3 GLY 11 11.989 13.655 -24.829 90 H ALA 12 H ALA 12 11.030 16.816 -25.983 91 HA ALA 12 HA ALA 12 12.336 16.600 -28.380 92 HB1 ALA 12 HB1 ALA 12 11.784 18.963 -28.704 93 HB2 ALA 12 HB2 ALA 12 10.485 18.152 -27.805 94 HB3 ALA 12 HB3 ALA 12 11.636 19.202 -26.950 95 H CYS 13 H CYS 13 13.801 18.130 -25.543 96 HA CYS 13 HA CYS 13 16.380 17.447 -26.564 97 HB2 CYS 13 HB2 CYS 13 15.955 19.792 -27.564 98 HB3 CYS 13 HB3 CYS 13 16.033 20.404 -25.895 99 HG CYS 13 HG CYS 13 18.259 18.929 -27.838 100 H GLY 14 H GLY 14 18.039 17.862 -24.838 101 HA2 GLY 14 HA2 GLY 14 18.869 17.639 -22.694 102 HA3 GLY 14 HA3 GLY 14 17.762 18.979 -22.395 103 H TYR 15 H TYR 15 15.996 16.162 -23.029 104 HA TYR 15 HA TYR 15 14.601 16.654 -20.792 105 HB2 TYR 15 HB2 TYR 15 13.162 14.943 -21.308 106 HB3 TYR 15 HB3 TYR 15 13.849 15.426 -22.862 107 HD1 TYR 15 HD1 TYR 15 15.436 13.820 -24.035 108 HD2 TYR 15 HD2 TYR 15 13.273 12.776 -20.437 109 HE1 TYR 15 HE1 TYR 15 15.801 11.400 -24.491 110 HE2 TYR 15 HE2 TYR 15 13.596 10.375 -20.928 111 HH TYR 15 HH TYR 15 14.151 8.921 -22.816 112 H LYS 16 H LYS 16 16.931 14.048 -20.913 113 HA LYS 16 HA LYS 16 16.240 12.681 -18.575 114 HB2 LYS 16 HB2 LYS 16 18.999 12.991 -19.821 115 HB3 LYS 16 HB3 LYS 16 18.615 11.853 -18.509 116 HG2 LYS 16 HG2 LYS 16 16.946 10.726 -19.911 117 HG3 LYS 16 HG3 LYS 16 17.170 11.922 -21.198 118 HD2 LYS 16 HD2 LYS 16 18.284 9.935 -21.842 119 HD3 LYS 16 HD3 LYS 16 19.508 11.172 -21.513 120 HE2 LYS 16 HE2 LYS 16 19.986 10.154 -19.317 121 HE3 LYS 16 HE3 LYS 16 18.663 8.990 -19.546 122 HZ1 LYS 16 HZ1 LYS 16 21.095 9.139 -21.249 123 HZ2 LYS 16 HZ2 LYS 16 19.861 8.070 -21.428 124 HZ3 LYS 16 HZ3 LYS 16 20.810 8.010 -20.090 125 HA PRO 17 HA PRO 17 18.806 15.240 -15.506 126 HB2 PRO 17 HB2 PRO 17 19.754 17.737 -16.208 127 HB3 PRO 17 HB3 PRO 17 20.704 16.224 -16.315 128 HG2 PRO 17 HG2 PRO 17 19.153 17.614 -18.519 129 HG3 PRO 17 HG3 PRO 17 20.831 16.984 -18.573 130 HD2 PRO 17 HD2 PRO 17 18.797 15.524 -19.577 131 HD3 PRO 17 HD3 PRO 17 20.086 14.735 -18.625 132 H LYS 18 H LYS 18 16.836 17.132 -17.858 133 HA LYS 18 HA LYS 18 15.519 18.881 -16.003 134 HB2 LYS 18 HB2 LYS 18 15.153 19.438 -18.187 135 HB3 LYS 18 HB3 LYS 18 15.081 17.787 -18.748 136 HG2 LYS 18 HG2 LYS 18 13.035 18.863 -19.197 137 HG3 LYS 18 HG3 LYS 18 12.753 17.557 -18.059 138 HD2 LYS 18 HD2 LYS 18 12.181 19.038 -16.310 139 HD3 LYS 18 HD3 LYS 18 13.116 20.368 -17.001 140 HE2 LYS 18 HE2 LYS 18 10.700 20.786 -17.197 141 HE3 LYS 18 HE3 LYS 18 11.495 20.704 -18.768 142 HZ1 LYS 18 HZ1 LYS 18 10.626 18.432 -19.018 143 HZ2 LYS 18 HZ2 LYS 18 9.424 19.496 -18.786 144 HZ3 LYS 18 HZ3 LYS 18 9.884 18.527 -17.549 145 H TYR 19 H TYR 19 14.713 15.648 -17.016 146 HA TYR 19 HA TYR 19 12.366 15.187 -15.413 147 HB2 TYR 19 HB2 TYR 19 13.460 13.836 -17.388 148 HB3 TYR 19 HB3 TYR 19 14.379 13.016 -16.138 149 HD1 TYR 19 HD1 TYR 19 13.034 11.931 -14.183 150 HD2 TYR 19 HD2 TYR 19 11.289 13.168 -17.941 151 HE1 TYR 19 HE1 TYR 19 10.995 10.539 -13.727 152 HE2 TYR 19 HE2 TYR 19 9.289 11.765 -17.458 153 HH TYR 19 HH TYR 19 8.896 9.815 -14.525 154 H LEU 20 H LEU 20 15.757 14.141 -14.839 155 HA LEU 20 HA LEU 20 15.399 13.174 -12.207 156 HB2 LEU 20 HB2 LEU 20 17.732 14.131 -13.777 157 HB3 LEU 20 HB3 LEU 20 17.945 14.011 -12.050 158 HG LEU 20 HG LEU 20 17.186 11.657 -12.080 159 HD11 LEU 20 HD11 LEU 20 17.407 11.870 -15.103 160 HD12 LEU 20 HD12 LEU 20 15.902 11.600 -14.194 161 HD13 LEU 20 HD13 LEU 20 17.179 10.380 -14.173 162 HD21 LEU 20 HD21 LEU 20 19.284 10.753 -13.003 163 HD22 LEU 20 HD22 LEU 20 19.585 12.251 -12.118 164 HD23 LEU 20 HD23 LEU 20 19.562 12.273 -13.894 165 H GLN 21 H GLN 21 15.970 16.564 -13.175 166 HA GLN 21 HA GLN 21 16.631 17.418 -10.548 167 HB2 GLN 21 HB2 GLN 21 16.463 18.654 -13.016 168 HB3 GLN 21 HB3 GLN 21 15.073 19.386 -12.220 169 HG2 GLN 21 HG2 GLN 21 17.954 19.350 -11.190 170 HG3 GLN 21 HG3 GLN 21 17.201 20.694 -12.056 171 HE21 GLN 21 HE21 GLN 21 15.179 21.732 -10.920 172 HE22 GLN 21 HE22 GLN 21 15.319 21.715 -9.162 173 H LEU 22 H LEU 22 13.490 16.744 -11.933 174 HA LEU 22 HA LEU 22 12.055 17.545 -9.467 175 HB2 LEU 22 HB2 LEU 22 10.923 17.769 -11.654 176 HB3 LEU 22 HB3 LEU 22 11.143 16.039 -11.957 177 HG LEU 22 HG LEU 22 9.693 15.515 -9.988 178 HD11 LEU 22 HD11 LEU 22 9.998 17.553 -8.632 179 HD12 LEU 22 HD12 LEU 22 8.293 17.340 -9.030 180 HD13 LEU 22 HD13 LEU 22 9.260 18.539 -9.917 181 HD21 LEU 22 HD21 LEU 22 8.741 15.659 -12.263 182 HD22 LEU 22 HD22 LEU 22 8.407 17.387 -12.012 183 HD23 LEU 22 HD23 LEU 22 7.578 16.160 -11.026 184 H LYS 23 H LYS 23 13.145 14.521 -11.113 185 HA LYS 23 HA LYS 23 11.741 12.755 -9.324 186 HB2 LYS 23 HB2 LYS 23 13.371 12.536 -11.710 187 HB3 LYS 23 HB3 LYS 23 14.123 11.559 -10.459 188 HG2 LYS 23 HG2 LYS 23 11.625 10.750 -10.100 189 HG3 LYS 23 HG3 LYS 23 11.448 11.335 -11.755 190 HD2 LYS 23 HD2 LYS 23 11.913 8.977 -11.860 191 HD3 LYS 23 HD3 LYS 23 13.392 9.800 -12.412 192 HE2 LYS 23 HE2 LYS 23 14.500 9.455 -10.376 193 HE3 LYS 23 HE3 LYS 23 13.013 9.361 -9.466 194 HZ1 LYS 23 HZ1 LYS 23 14.212 7.161 -11.013 195 HZ2 LYS 23 HZ2 LYS 23 12.624 7.130 -10.496 196 HZ3 LYS 23 HZ3 LYS 23 13.813 7.275 -9.421 197 H GLU 24 H GLU 24 15.152 13.614 -9.491 198 HA GLU 24 HA GLU 24 16.337 12.338 -7.341 199 HB2 GLU 24 HB2 GLU 24 17.443 13.906 -8.994 200 HB3 GLU 24 HB3 GLU 24 16.595 15.248 -8.249 201 HG2 GLU 24 HG2 GLU 24 18.169 13.788 -6.242 202 HG3 GLU 24 HG3 GLU 24 19.158 14.312 -7.614 203 H LYS 25 H LYS 25 14.430 15.324 -7.185 204 HA LYS 25 HA LYS 25 14.771 15.777 -4.373 205 HB2 LYS 25 HB2 LYS 25 13.481 17.069 -6.629 206 HB3 LYS 25 HB3 LYS 25 12.231 16.819 -5.428 207 HG2 LYS 25 HG2 LYS 25 13.224 18.986 -5.108 208 HG3 LYS 25 HG3 LYS 25 13.571 17.924 -3.721 209 HD2 LYS 25 HD2 LYS 25 15.466 19.406 -4.383 210 HD3 LYS 25 HD3 LYS 25 15.878 17.685 -4.466 211 HE2 LYS 25 HE2 LYS 25 15.338 17.755 -6.946 212 HE3 LYS 25 HE3 LYS 25 15.088 19.506 -6.802 213 HZ1 LYS 25 HZ1 LYS 25 17.586 17.969 -6.339 214 HZ2 LYS 25 HZ2 LYS 25 17.451 19.598 -6.052 215 HZ3 LYS 25 HZ3 LYS 25 17.282 19.000 -7.567 216 H LEU 26 H LEU 26 12.244 14.184 -6.168 217 HA LEU 26 HA LEU 26 10.472 13.622 -3.993 218 HB2 LEU 26 HB2 LEU 26 10.779 13.051 -6.919 219 HB3 LEU 26 HB3 LEU 26 10.014 11.767 -6.004 220 HG LEU 26 HG LEU 26 8.467 13.384 -5.027 221 HD11 LEU 26 HD11 LEU 26 9.708 15.493 -5.351 222 HD12 LEU 26 HD12 LEU 26 8.130 15.598 -6.141 223 HD13 LEU 26 HD13 LEU 26 9.594 15.309 -7.116 224 HD21 LEU 26 HD21 LEU 26 7.055 13.657 -7.096 225 HD22 LEU 26 HD22 LEU 26 7.743 12.038 -6.919 226 HD23 LEU 26 HD23 LEU 26 8.469 13.190 -8.069 227 H GLU 27 H GLU 27 12.749 11.535 -5.680 228 HA GLU 27 HA GLU 27 12.678 9.346 -3.813 229 HB2 GLU 27 HB2 GLU 27 14.195 10.197 -6.228 230 HB3 GLU 27 HB3 GLU 27 15.155 9.235 -5.109 231 HG2 GLU 27 HG2 GLU 27 13.650 7.427 -5.130 232 HG3 GLU 27 HG3 GLU 27 12.363 8.364 -5.866 233 H HIS 28 H HIS 28 14.768 12.251 -3.838 234 HA HIS 28 HA HIS 28 16.395 11.494 -1.612 235 HB2 HIS 28 HB2 HIS 28 16.931 13.408 -2.979 236 HB3 HIS 28 HB3 HIS 28 15.379 14.165 -2.644 237 HD1 HIS 28 HD1 HIS 28 16.789 13.028 0.580 238 HD2 HIS 28 HD2 HIS 28 16.849 16.334 -1.984 239 HE1 HIS 28 HE1 HIS 28 17.745 14.980 1.947 240 H GLU 29 H GLU 29 13.200 13.092 -1.782 241 HA GLU 29 HA GLU 29 12.965 13.667 1.010 242 HB2 GLU 29 HB2 GLU 29 11.274 13.653 -1.455 243 HB3 GLU 29 HB3 GLU 29 10.436 13.553 0.067 244 HG2 GLU 29 HG2 GLU 29 12.539 15.689 -0.178 245 HG3 GLU 29 HG3 GLU 29 11.049 15.881 -1.109 246 H PHE 30 H PHE 30 11.851 10.970 -0.991 247 HA PHE 30 HA PHE 30 10.923 9.457 1.426 248 HB2 PHE 30 HB2 PHE 30 9.573 9.656 -1.262 249 HB3 PHE 30 HB3 PHE 30 8.932 8.926 0.213 250 HD1 PHE 30 HD2 PHE 30 8.725 10.618 2.272 251 HD2 PHE 30 HD1 PHE 30 8.887 11.793 -1.869 252 HE1 PHE 30 HE2 PHE 30 7.657 12.759 2.843 253 HE2 PHE 30 HE1 PHE 30 7.770 13.937 -1.312 254 HZ PHE 30 HZ PHE 30 7.191 14.444 1.008 255 HA PRO 31 HA PRO 31 13.441 6.952 -1.758 256 HB2 PRO 31 HB2 PRO 31 15.449 5.939 -0.147 257 HB3 PRO 31 HB3 PRO 31 15.550 7.449 -1.097 258 HG2 PRO 31 HG2 PRO 31 14.853 7.110 1.838 259 HG3 PRO 31 HG3 PRO 31 15.956 8.317 1.096 260 HD2 PRO 31 HD2 PRO 31 13.394 8.941 1.787 261 HD3 PRO 31 HD3 PRO 31 14.151 9.610 0.311 262 H GLY 32 H GLY 32 12.893 4.942 -2.138 263 HA2 GLY 32 HA2 GLY 32 12.097 2.782 -1.973 264 HA3 GLY 32 HA3 GLY 32 12.532 2.789 -0.262 265 H CYS 33 H CYS 33 10.692 5.071 0.342 266 HA CYS 33 HA CYS 33 8.131 3.759 0.461 267 HB2 CYS 33 HB2 CYS 33 8.571 6.716 0.760 268 HB3 CYS 33 HB3 CYS 33 7.348 5.677 1.524 269 HG CYS 33 HG CYS 33 8.932 6.514 3.415 270 H LEU 34 H LEU 34 9.820 5.390 -2.001 271 HA LEU 34 HA LEU 34 7.313 5.693 -3.564 272 HB2 LEU 34 HB2 LEU 34 9.129 7.846 -2.636 273 HB3 LEU 34 HB3 LEU 34 8.933 7.789 -4.386 274 HG LEU 34 HG LEU 34 6.362 7.439 -3.063 275 HD11 LEU 34 HD11 LEU 34 7.636 10.086 -2.492 276 HD12 LEU 34 HD12 LEU 34 7.282 8.827 -1.291 277 HD13 LEU 34 HD13 LEU 34 5.956 9.596 -2.162 278 HD21 LEU 34 HD21 LEU 34 6.815 8.169 -5.430 279 HD22 LEU 34 HD22 LEU 34 7.444 9.700 -4.799 280 HD23 LEU 34 HD23 LEU 34 5.729 9.276 -4.568 281 H ASP 35 H ASP 35 7.346 5.754 -5.587 282 HA ASP 35 HA ASP 35 9.692 4.771 -7.173 283 HB2 ASP 35 HB2 ASP 35 8.028 3.004 -6.912 284 HB3 ASP 35 HB3 ASP 35 6.771 4.209 -7.094 285 H ILE 36 H ILE 36 10.037 6.001 -8.796 286 HA ILE 36 HA ILE 36 7.949 7.519 -10.114 287 HB ILE 36 HB ILE 36 10.601 8.783 -9.872 288 HG12 ILE 36 HG12 ILE 36 9.123 10.639 -8.503 289 HG13 ILE 36 HG13 ILE 36 8.446 9.135 -7.883 290 HG21 ILE 36 HG21 ILE 36 9.299 10.836 -10.752 291 HG22 ILE 36 HG22 ILE 36 9.401 9.463 -11.860 292 HG23 ILE 36 HG23 ILE 36 7.920 9.754 -10.952 293 HD11 ILE 36 HD11 ILE 36 11.377 10.017 -7.911 294 HD12 ILE 36 HD12 ILE 36 10.338 9.693 -6.492 295 HD13 ILE 36 HD13 ILE 36 10.863 8.361 -7.516 296 H CYS 37 H CYS 37 7.963 6.893 -11.978 297 HA CYS 37 HA CYS 37 10.354 6.270 -13.676 298 HB2 CYS 37 HB2 CYS 37 7.811 4.608 -13.695 299 HB3 CYS 37 HB3 CYS 37 9.134 4.523 -14.841 300 HG CYS 37 HG CYS 37 9.212 3.944 -11.544 301 H GLY 38 H GLY 38 9.355 6.213 -16.112 302 HA2 GLY 38 HA2 GLY 38 7.499 8.486 -16.534 303 HA3 GLY 38 HA3 GLY 38 9.196 8.741 -16.969 304 H GLU 39 H GLU 39 7.069 9.049 -18.685 305 HA GLU 39 HA GLU 39 7.422 6.971 -20.791 306 HB2 GLU 39 HB2 GLU 39 5.084 8.733 -20.077 307 HB3 GLU 39 HB3 GLU 39 5.132 7.640 -21.457 308 HG2 GLU 39 HG2 GLU 39 5.145 6.866 -18.504 309 HG3 GLU 39 HG3 GLU 39 3.786 6.738 -19.610 310 H GLY 40 H GLY 40 9.190 8.210 -21.443 311 HA2 GLY 40 HA2 GLY 40 8.837 11.061 -22.292 312 HA3 GLY 40 HA3 GLY 40 10.376 10.252 -22.062 313 H THR 41 H THR 41 7.646 10.673 -24.195 314 HA THR 41 HA THR 41 8.775 9.226 -26.466 315 HB THR 41 HB THR 41 6.424 9.243 -26.303 316 HG1 THR 41 HG1 THR 41 5.860 10.094 -28.297 317 HG21 THR 41 HG21 THR 41 6.457 12.292 -26.477 318 HG22 THR 41 HG22 THR 41 5.933 11.321 -25.081 319 HG23 THR 41 HG23 THR 41 5.015 11.263 -26.587 320 HA PRO 42 HA PRO 42 11.000 12.745 -28.248 321 HB2 PRO 42 HB2 PRO 42 11.399 11.878 -30.799 322 HB3 PRO 42 HB3 PRO 42 12.235 11.159 -29.388 323 HG2 PRO 42 HG2 PRO 42 9.733 10.149 -30.777 324 HG3 PRO 42 HG3 PRO 42 11.211 9.223 -30.350 325 HD2 PRO 42 HD2 PRO 42 8.981 9.227 -28.785 326 HD3 PRO 42 HD3 PRO 42 10.608 9.159 -28.059 327 H GLN 43 H GLN 43 7.773 12.022 -28.833 328 HA GLN 43 HA GLN 43 7.172 13.739 -31.081 329 HB2 GLN 43 HB2 GLN 43 5.485 12.653 -28.806 330 HB3 GLN 43 HB3 GLN 43 4.821 13.591 -30.145 331 HG2 GLN 43 HG2 GLN 43 5.360 11.920 -31.761 332 HG3 GLN 43 HG3 GLN 43 6.392 11.034 -30.632 333 HE21 GLN 43 HE21 GLN 43 3.161 11.151 -31.879 334 HE22 GLN 43 HE22 GLN 43 2.520 10.130 -30.584 335 H VAL 44 H VAL 44 8.452 15.567 -30.552 336 HA VAL 44 HA VAL 44 8.101 17.498 -28.585 337 HB VAL 44 HB VAL 44 9.843 17.659 -30.127 338 HG11 VAL 44 HG11 VAL 44 9.677 18.357 -32.442 339 HG12 VAL 44 HG12 VAL 44 8.850 16.815 -32.205 340 HG13 VAL 44 HG13 VAL 44 7.909 18.312 -32.375 341 HG21 VAL 44 HG21 VAL 44 9.013 19.756 -29.072 342 HG22 VAL 44 HG22 VAL 44 9.845 20.018 -30.615 343 HG23 VAL 44 HG23 VAL 44 8.078 20.096 -30.547 344 H THR 45 H THR 45 6.125 17.701 -27.797 345 HA THR 45 HA THR 45 4.034 19.176 -29.365 346 HB THR 45 HB THR 45 2.375 17.694 -28.131 347 HG1 THR 45 HG1 THR 45 4.545 15.911 -27.938 348 HG21 THR 45 HG21 THR 45 2.850 17.338 -30.526 349 HG22 THR 45 HG22 THR 45 2.525 15.817 -29.670 350 HG23 THR 45 HG23 THR 45 4.190 16.254 -30.109 351 H GLY 46 H GLY 46 5.697 18.877 -26.298 352 HA2 GLY 46 HA2 GLY 46 5.837 20.670 -24.821 353 HA3 GLY 46 HA3 GLY 46 4.307 21.328 -25.416 354 H PHE 47 H PHE 47 3.801 18.081 -24.743 355 HA PHE 47 HA PHE 47 2.351 18.498 -22.243 356 HB2 PHE 47 HB2 PHE 47 3.224 16.030 -23.814 357 HB3 PHE 47 HB3 PHE 47 2.307 15.954 -22.314 358 HD1 PHE 47 HD1 PHE 47 2.128 17.489 -25.764 359 HD2 PHE 47 HD2 PHE 47 -0.029 15.870 -22.403 360 HE1 PHE 47 HE1 PHE 47 0.021 17.674 -27.034 361 HE2 PHE 47 HE2 PHE 47 -2.128 15.992 -23.697 362 HZ PHE 47 HZ PHE 47 -2.117 16.916 -26.020 363 H PHE 48 H PHE 48 2.964 17.967 -20.220 364 HA PHE 48 HA PHE 48 5.236 16.348 -19.489 365 HB2 PHE 48 HB2 PHE 48 6.250 18.725 -19.686 366 HB3 PHE 48 HB3 PHE 48 5.208 19.176 -18.374 367 HD1 PHE 48 HD1 PHE 48 7.599 16.307 -18.922 368 HD2 PHE 48 HD2 PHE 48 6.136 19.357 -16.281 369 HE1 PHE 48 HE1 PHE 48 9.443 15.817 -17.398 370 HE2 PHE 48 HE2 PHE 48 7.917 18.795 -14.662 371 HZ PHE 48 HZ PHE 48 9.595 17.027 -15.202 372 H GLU 49 H GLU 49 3.184 15.082 -18.829 373 HA GLU 49 HA GLU 49 1.598 16.522 -16.763 374 HB2 GLU 49 HB2 GLU 49 0.654 14.152 -18.323 375 HB3 GLU 49 HB3 GLU 49 -0.199 15.459 -17.555 376 HG2 GLU 49 HG2 GLU 49 1.348 15.704 -20.156 377 HG3 GLU 49 HG3 GLU 49 -0.397 15.537 -19.992 378 H VAL 50 H VAL 50 1.442 15.728 -14.688 379 HA VAL 50 HA VAL 50 3.219 13.358 -14.147 380 HB VAL 50 HB VAL 50 2.716 15.707 -12.303 381 HG11 VAL 50 HG11 VAL 50 4.587 13.361 -12.016 382 HG12 VAL 50 HG12 VAL 50 4.660 14.838 -11.031 383 HG13 VAL 50 HG13 VAL 50 3.230 13.811 -10.975 384 HG21 VAL 50 HG21 VAL 50 5.329 15.124 -13.751 385 HG22 VAL 50 HG22 VAL 50 4.156 16.286 -14.365 386 HG23 VAL 50 HG23 VAL 50 4.910 16.540 -12.781 387 H THR 51 H THR 51 2.317 11.634 -13.116 388 HA THR 51 HA THR 51 -0.218 11.943 -11.700 389 HB THR 51 HB THR 51 -0.388 9.553 -12.540 390 HG1 THR 51 HG1 THR 51 1.478 10.402 -14.445 391 HG21 THR 51 HG21 THR 51 -1.742 11.351 -13.568 392 HG22 THR 51 HG22 THR 51 -1.233 10.161 -14.779 393 HG23 THR 51 HG23 THR 51 -0.396 11.726 -14.673 394 H VAL 52 H VAL 52 -0.411 10.762 -9.757 395 HA VAL 52 HA VAL 52 1.755 8.879 -8.989 396 HB VAL 52 HB VAL 52 2.266 10.992 -7.973 397 HG11 VAL 52 HG11 VAL 52 -0.080 11.942 -7.825 398 HG12 VAL 52 HG12 VAL 52 -0.391 10.865 -6.465 399 HG13 VAL 52 HG13 VAL 52 0.867 12.106 -6.337 400 HG21 VAL 52 HG21 VAL 52 2.500 10.210 -5.725 401 HG22 VAL 52 HG22 VAL 52 1.099 9.133 -5.873 402 HG23 VAL 52 HG23 VAL 52 2.590 8.782 -6.771 403 H ALA 53 H ALA 53 1.010 7.023 -8.173 404 HA ALA 53 HA ALA 53 -0.499 5.289 -8.356 405 HB1 ALA 53 HB1 ALA 53 -2.135 6.993 -6.446 406 HB2 ALA 53 HB2 ALA 53 -2.268 5.240 -6.686 407 HB3 ALA 53 HB3 ALA 53 -0.785 5.924 -5.996 408 H GLY 54 H GLY 54 -0.727 7.305 -10.418 409 HA2 GLY 54 HA2 GLY 54 -2.042 7.512 -12.377 410 HA3 GLY 54 HA3 GLY 54 -3.420 6.804 -11.530 411 H LYS 55 H LYS 55 -2.842 8.941 -9.289 412 HA LYS 55 HA LYS 55 -4.722 10.957 -10.198 413 HB2 LYS 55 HB2 LYS 55 -3.152 10.505 -7.738 414 HB3 LYS 55 HB3 LYS 55 -3.640 12.144 -8.020 415 HG2 LYS 55 HG2 LYS 55 -5.810 10.176 -8.432 416 HG3 LYS 55 HG3 LYS 55 -5.100 10.126 -6.817 417 HD2 LYS 55 HD2 LYS 55 -7.037 11.602 -6.876 418 HD3 LYS 55 HD3 LYS 55 -5.588 12.484 -6.425 419 HE2 LYS 55 HE2 LYS 55 -6.392 12.469 -9.340 420 HE3 LYS 55 HE3 LYS 55 -7.420 13.354 -8.217 421 HZ1 LYS 55 HZ1 LYS 55 -5.748 14.829 -9.105 422 HZ2 LYS 55 HZ2 LYS 55 -4.522 13.914 -8.651 423 HZ3 LYS 55 HZ3 LYS 55 -5.450 14.632 -7.505 424 H LEU 56 H LEU 56 -4.135 12.240 -11.844 425 HA LEU 56 HA LEU 56 -1.759 13.612 -12.324 426 HB2 LEU 56 HB2 LEU 56 -3.471 13.731 -13.804 427 HB3 LEU 56 HB3 LEU 56 -4.668 14.346 -12.650 428 HG LEU 56 HG LEU 56 -2.277 15.957 -13.633 429 HD11 LEU 56 HD11 LEU 56 -3.659 15.267 -15.548 430 HD12 LEU 56 HD12 LEU 56 -3.874 16.983 -15.233 431 HD13 LEU 56 HD13 LEU 56 -5.133 15.835 -14.721 432 HD21 LEU 56 HD21 LEU 56 -3.848 17.892 -13.094 433 HD22 LEU 56 HD22 LEU 56 -3.262 17.036 -11.684 434 HD23 LEU 56 HD23 LEU 56 -4.905 16.717 -12.279 435 H VAL 57 H VAL 57 -0.608 14.954 -11.345 436 HA VAL 57 HA VAL 57 -1.646 16.784 -9.165 437 HB VAL 57 HB VAL 57 1.282 16.079 -9.343 438 HG11 VAL 57 HG11 VAL 57 -0.533 16.774 -6.985 439 HG12 VAL 57 HG12 VAL 57 1.236 16.614 -6.958 440 HG13 VAL 57 HG13 VAL 57 0.486 17.939 -7.853 441 HG21 VAL 57 HG21 VAL 57 0.320 13.866 -9.161 442 HG22 VAL 57 HG22 VAL 57 0.984 14.340 -7.602 443 HG23 VAL 57 HG23 VAL 57 -0.777 14.397 -7.861 444 H HIS 58 H HIS 58 0.178 16.504 -12.142 445 HA HIS 58 HA HIS 58 0.404 19.466 -12.336 446 HB2 HIS 58 HB2 HIS 58 2.567 18.206 -11.720 447 HB3 HIS 58 HB3 HIS 58 2.403 17.462 -13.325 448 HD1 HIS 58 HD1 HIS 58 2.185 21.275 -12.474 449 HD2 HIS 58 HD2 HIS 58 4.044 18.409 -14.973 450 HE1 HIS 58 HE1 HIS 58 3.372 22.528 -14.275 451 H SER 59 H SER 59 0.413 20.226 -14.455 452 HA SER 59 HA SER 59 0.080 18.418 -16.696 453 HB2 SER 59 HB2 SER 59 -2.293 19.419 -15.381 454 HB3 SER 59 HB3 SER 59 -2.135 20.237 -16.927 455 HG SER 59 HG SER 59 -1.764 18.044 -17.821 456 H LYS 60 H LYS 60 1.838 19.450 -17.791 457 HA LYS 60 HA LYS 60 2.103 22.254 -18.105 458 HB2 LYS 60 HB2 LYS 60 3.324 19.821 -18.947 459 HB3 LYS 60 HB3 LYS 60 2.924 20.659 -20.424 460 HG2 LYS 60 HG2 LYS 60 4.594 21.745 -18.110 461 HG3 LYS 60 HG3 LYS 60 5.206 21.177 -19.671 462 HD2 LYS 60 HD2 LYS 60 3.439 23.597 -19.220 463 HD3 LYS 60 HD3 LYS 60 5.168 23.586 -19.607 464 HE2 LYS 60 HE2 LYS 60 4.616 22.344 -21.719 465 HE3 LYS 60 HE3 LYS 60 2.907 22.515 -21.375 466 HZ1 LYS 60 HZ1 LYS 60 3.649 24.209 -22.895 467 HZ2 LYS 60 HZ2 LYS 60 4.740 24.795 -21.812 468 HZ3 LYS 60 HZ3 LYS 60 3.119 24.893 -21.507 469 H LYS 61 H LYS 61 0.199 19.834 -19.808 470 HA LYS 61 HA LYS 61 -0.838 21.623 -21.856 471 HB2 LYS 61 HB2 LYS 61 -0.603 19.044 -21.845 472 HB3 LYS 61 HB3 LYS 61 -2.120 19.032 -20.944 473 HG2 LYS 61 HG2 LYS 61 -2.480 20.764 -23.246 474 HG3 LYS 61 HG3 LYS 61 -1.598 19.352 -23.796 475 HD2 LYS 61 HD2 LYS 61 -3.938 18.929 -24.089 476 HD3 LYS 61 HD3 LYS 61 -3.364 17.886 -22.772 477 HE2 LYS 61 HE2 LYS 61 -4.225 19.524 -21.109 478 HE3 LYS 61 HE3 LYS 61 -4.765 20.583 -22.412 479 HZ1 LYS 61 HZ1 LYS 61 -5.749 17.822 -21.935 480 HZ2 LYS 61 HZ2 LYS 61 -6.281 18.833 -23.124 481 HZ3 LYS 61 HZ3 LYS 61 -6.565 19.194 -21.544 482 H ARG 62 H ARG 62 -1.797 21.314 -18.472 483 HA ARG 62 HA ARG 62 -4.187 22.961 -19.069 484 HB2 ARG 62 HB2 ARG 62 -4.926 22.602 -17.042 485 HB3 ARG 62 HB3 ARG 62 -4.095 21.093 -17.313 486 HG2 ARG 62 HG2 ARG 62 -3.368 21.310 -15.254 487 HG3 ARG 62 HG3 ARG 62 -2.196 22.475 -15.870 488 HD2 ARG 62 HD2 ARG 62 -4.922 23.349 -14.930 489 HD3 ARG 62 HD3 ARG 62 -3.684 22.902 -13.751 490 HE ARG 62 HE ARG 62 -2.180 24.583 -14.762 491 HH11 ARG 62 HH11 ARG 62 -5.606 25.114 -15.109 492 HH12 ARG 62 HH12 ARG 62 -5.435 26.842 -15.276 493 HH21 ARG 62 HH21 ARG 62 -2.014 26.823 -15.126 494 HH22 ARG 62 HH22 ARG 62 -3.473 27.744 -15.267 495 H GLY 63 H GLY 63 -0.899 23.419 -18.519 496 HA2 GLY 63 HA2 GLY 63 0.257 25.483 -18.628 497 HA3 GLY 63 HA3 GLY 63 -1.266 26.357 -18.377 498 H ASP 64 H ASP 64 -0.210 23.647 -16.288 499 HA ASP 64 HA ASP 64 -0.152 25.363 -13.916 500 HB2 ASP 64 HB2 ASP 64 -0.764 22.909 -14.077 501 HB3 ASP 64 HB3 ASP 64 0.954 22.576 -14.258 502 H GLY 65 H GLY 65 2.315 24.247 -16.209 503 HA2 GLY 65 HA2 GLY 65 4.430 25.050 -16.656 504 HA3 GLY 65 HA3 GLY 65 4.174 26.346 -15.480 505 H TYR 66 H TYR 66 6.622 24.933 -15.893 506 HA TYR 66 HA TYR 66 7.051 22.724 -14.175 507 HB2 TYR 66 HB2 TYR 66 9.054 24.768 -15.192 508 HB3 TYR 66 HB3 TYR 66 9.412 23.153 -14.624 509 HD1 TYR 66 HD1 TYR 66 7.122 21.647 -16.090 510 HD2 TYR 66 HD2 TYR 66 10.099 24.524 -17.316 511 HE1 TYR 66 HE1 TYR 66 7.210 20.617 -18.345 512 HE2 TYR 66 HE2 TYR 66 10.212 23.460 -19.562 513 HH TYR 66 HH TYR 66 9.278 21.822 -20.934 514 H VAL 67 H VAL 67 9.287 23.123 -12.708 515 HA VAL 67 HA VAL 67 8.220 24.590 -10.378 516 HB VAL 67 HB VAL 67 9.976 23.869 -9.098 517 HG11 VAL 67 HG11 VAL 67 7.807 22.662 -9.229 518 HG12 VAL 67 HG12 VAL 67 8.457 21.595 -10.485 519 HG13 VAL 67 HG13 VAL 67 9.121 21.529 -8.847 520 HG21 VAL 67 HG21 VAL 67 11.783 23.231 -10.743 521 HG22 VAL 67 HG22 VAL 67 11.381 21.868 -9.700 522 HG23 VAL 67 HG23 VAL 67 10.749 21.921 -11.357 523 H ASP 68 H ASP 68 8.252 26.270 -11.634 524 HA ASP 68 HA ASP 68 10.383 28.005 -12.381 525 HB2 ASP 68 HB2 ASP 68 7.541 28.535 -11.630 526 HB3 ASP 68 HB3 ASP 68 8.584 29.623 -12.511 527 H THR 69 H THR 69 8.964 27.260 -9.297 528 HA THR 69 HA THR 69 10.875 28.945 -7.922 529 HB THR 69 HB THR 69 8.212 29.425 -6.811 530 HG1 THR 69 HG1 THR 69 8.914 30.538 -9.291 531 HG21 THR 69 HG21 THR 69 9.051 31.735 -6.560 532 HG22 THR 69 HG22 THR 69 10.471 31.328 -7.542 533 HG23 THR 69 HG23 THR 69 10.238 30.562 -5.952 534 H GLU 70 H GLU 70 10.890 28.521 -5.632 535 HA GLU 70 HA GLU 70 10.576 25.839 -4.906 536 HB2 GLU 70 HB2 GLU 70 10.558 28.292 -3.081 537 HB3 GLU 70 HB3 GLU 70 10.905 26.640 -2.566 538 HG2 GLU 70 HG2 GLU 70 12.572 28.345 -4.461 539 HG3 GLU 70 HG3 GLU 70 12.945 27.975 -2.782 540 H SER 71 H SER 71 8.292 28.455 -4.472 541 HA SER 71 HA SER 71 6.425 26.902 -2.882 542 HB2 SER 71 HB2 SER 71 6.498 29.516 -3.490 543 HB3 SER 71 HB3 SER 71 5.282 29.004 -4.672 544 HG SER 71 HG SER 71 4.080 29.311 -2.936 545 H LYS 72 H LYS 72 6.968 27.123 -6.339 546 HA LYS 72 HA LYS 72 4.570 25.691 -7.108 547 HB2 LYS 72 HB2 LYS 72 6.014 27.209 -8.636 548 HB3 LYS 72 HB3 LYS 72 7.034 25.775 -8.833 549 HG2 LYS 72 HG2 LYS 72 5.558 25.035 -10.411 550 HG3 LYS 72 HG3 LYS 72 4.402 24.762 -9.138 551 HD2 LYS 72 HD2 LYS 72 3.249 26.126 -10.693 552 HD3 LYS 72 HD3 LYS 72 3.692 27.207 -9.368 553 HE2 LYS 72 HE2 LYS 72 4.412 28.510 -11.127 554 HE3 LYS 72 HE3 LYS 72 5.886 27.591 -10.851 555 HZ1 LYS 72 HZ1 LYS 72 5.274 27.568 -13.201 556 HZ2 LYS 72 HZ2 LYS 72 3.849 26.753 -12.857 557 HZ3 LYS 72 HZ3 LYS 72 5.325 26.077 -12.579 558 H PHE 73 H PHE 73 7.990 24.793 -6.595 559 HA PHE 73 HA PHE 73 7.678 21.967 -7.024 560 HB2 PHE 73 HB2 PHE 73 9.893 22.931 -6.913 561 HB3 PHE 73 HB3 PHE 73 9.596 23.571 -5.307 562 HD1 PHE 73 HD1 PHE 73 9.109 20.130 -6.857 563 HD2 PHE 73 HD2 PHE 73 10.941 22.506 -3.739 564 HE1 PHE 73 HE1 PHE 73 9.889 18.067 -5.736 565 HE2 PHE 73 HE2 PHE 73 11.734 20.432 -2.644 566 HZ PHE 73 HZ PHE 73 11.156 18.215 -3.600 567 H ARG 74 H ARG 74 7.409 23.856 -4.048 568 HA ARG 74 HA ARG 74 6.730 21.838 -2.254 569 HB2 ARG 74 HB2 ARG 74 7.407 24.023 -1.588 570 HB3 ARG 74 HB3 ARG 74 5.983 24.770 -2.311 571 HG2 ARG 74 HG2 ARG 74 5.560 22.705 -0.146 572 HG3 ARG 74 HG3 ARG 74 6.218 24.266 0.324 573 HD2 ARG 74 HD2 ARG 74 3.647 23.981 -1.288 574 HD3 ARG 74 HD3 ARG 74 3.697 24.081 0.463 575 HE ARG 74 HE ARG 74 4.406 26.238 -1.479 576 HH11 ARG 74 HH11 ARG 74 3.842 25.413 1.874 577 HH12 ARG 74 HH12 ARG 74 4.001 27.062 2.409 578 HH21 ARG 74 HH21 ARG 74 4.613 28.277 -0.776 579 HH22 ARG 74 HH22 ARG 74 4.415 28.674 0.917 580 H LYS 75 H LYS 75 4.501 23.245 -4.629 581 HA LYS 75 HA LYS 75 2.079 22.163 -3.483 582 HB2 LYS 75 HB2 LYS 75 1.927 23.974 -4.983 583 HB3 LYS 75 HB3 LYS 75 2.904 23.187 -6.215 584 HG2 LYS 75 HG2 LYS 75 0.168 22.111 -5.432 585 HG3 LYS 75 HG3 LYS 75 0.394 23.425 -6.578 586 HD2 LYS 75 HD2 LYS 75 2.128 21.672 -7.702 587 HD3 LYS 75 HD3 LYS 75 1.060 20.512 -6.896 588 HE2 LYS 75 HE2 LYS 75 0.175 20.785 -9.089 589 HE3 LYS 75 HE3 LYS 75 -0.914 21.650 -8.001 590 HZ1 LYS 75 HZ1 LYS 75 1.116 22.785 -9.845 591 HZ2 LYS 75 HZ2 LYS 75 0.406 23.710 -8.653 592 HZ3 LYS 75 HZ3 LYS 75 -0.420 23.057 -9.921 593 H LEU 76 H LEU 76 4.659 20.842 -5.476 594 HA LEU 76 HA LEU 76 3.193 18.284 -5.868 595 HB2 LEU 76 HB2 LEU 76 5.123 19.688 -7.381 596 HB3 LEU 76 HB3 LEU 76 6.137 18.588 -6.470 597 HG LEU 76 HG LEU 76 5.757 17.663 -8.615 598 HD11 LEU 76 HD11 LEU 76 3.850 16.146 -6.805 599 HD12 LEU 76 HD12 LEU 76 5.624 16.006 -6.794 600 HD13 LEU 76 HD13 LEU 76 4.710 15.525 -8.232 601 HD21 LEU 76 HD21 LEU 76 2.788 18.070 -8.178 602 HD22 LEU 76 HD22 LEU 76 3.519 17.217 -9.560 603 HD23 LEU 76 HD23 LEU 76 3.830 18.940 -9.313 604 H VAL 77 H VAL 77 5.914 19.502 -4.039 605 HA VAL 77 HA VAL 77 6.477 17.090 -2.601 606 HB VAL 77 HB VAL 77 6.486 19.928 -1.470 607 HG11 VAL 77 HG11 VAL 77 7.637 17.373 -0.323 608 HG12 VAL 77 HG12 VAL 77 8.097 18.988 0.232 609 HG13 VAL 77 HG13 VAL 77 6.428 18.446 0.429 610 HG21 VAL 77 HG21 VAL 77 8.072 19.607 -3.345 611 HG22 VAL 77 HG22 VAL 77 8.918 19.834 -1.811 612 HG23 VAL 77 HG23 VAL 77 8.764 18.203 -2.499 613 H THR 78 H THR 78 4.063 19.568 -1.826 614 HA THR 78 HA THR 78 3.229 18.285 0.552 615 HB THR 78 HB THR 78 1.582 20.144 -1.213 616 HG1 THR 78 HG1 THR 78 3.486 21.084 -0.643 617 HG21 THR 78 HG21 THR 78 0.177 19.122 0.543 618 HG22 THR 78 HG22 THR 78 0.496 20.819 0.929 619 HG23 THR 78 HG23 THR 78 1.390 19.538 1.776 620 H ALA 79 H ALA 79 2.227 17.705 -2.777 621 HA ALA 79 HA ALA 79 -0.018 16.084 -1.732 622 HB1 ALA 79 HB1 ALA 79 -0.560 15.723 -4.139 623 HB2 ALA 79 HB2 ALA 79 -0.307 17.456 -3.830 624 HB3 ALA 79 HB3 ALA 79 0.973 16.492 -4.599 625 H ILE 80 H ILE 80 3.174 15.603 -2.752 626 HA ILE 80 HA ILE 80 2.898 12.640 -2.983 627 HB ILE 80 HB ILE 80 5.333 14.459 -2.915 628 HG12 ILE 80 HG12 ILE 80 3.954 14.660 -4.981 629 HG13 ILE 80 HG13 ILE 80 5.587 14.061 -5.261 630 HG21 ILE 80 HG21 ILE 80 5.170 11.449 -3.385 631 HG22 ILE 80 HG22 ILE 80 6.620 12.437 -3.680 632 HG23 ILE 80 HG23 ILE 80 5.975 12.259 -2.046 633 HD11 ILE 80 HD11 ILE 80 4.686 11.782 -5.595 634 HD12 ILE 80 HD12 ILE 80 3.052 12.375 -5.201 635 HD13 ILE 80 HD13 ILE 80 3.882 12.945 -6.658 636 H LYS 81 H LYS 81 3.873 15.048 -0.584 637 HA LYS 81 HA LYS 81 4.989 13.136 1.310 638 HB2 LYS 81 HB2 LYS 81 5.366 15.683 1.129 639 HB3 LYS 81 HB3 LYS 81 3.819 15.919 1.917 640 HG2 LYS 81 HG2 LYS 81 4.574 14.884 3.948 641 HG3 LYS 81 HG3 LYS 81 6.036 14.253 3.194 642 HD2 LYS 81 HD2 LYS 81 5.431 17.216 3.514 643 HD3 LYS 81 HD3 LYS 81 6.389 16.291 4.667 644 HE2 LYS 81 HE2 LYS 81 7.186 16.298 1.732 645 HE3 LYS 81 HE3 LYS 81 7.521 17.710 2.706 646 HZ1 LYS 81 HZ1 LYS 81 9.356 16.124 2.593 647 HZ2 LYS 81 HZ2 LYS 81 8.533 14.978 3.338 648 HZ3 LYS 81 HZ3 LYS 81 8.929 16.387 4.133 649 H ALA 82 H ALA 82 1.928 14.728 0.916 650 HA ALA 82 HA ALA 82 0.581 13.612 3.240 651 HB1 ALA 82 HB1 ALA 82 -1.500 14.336 2.077 652 HB2 ALA 82 HB2 ALA 82 -0.272 15.619 2.084 653 HB3 ALA 82 HB3 ALA 82 -0.561 14.673 0.607 654 H ALA 83 H ALA 83 0.515 12.635 -0.234 655 HA ALA 83 HA ALA 83 -1.026 10.302 0.262 656 HB1 ALA 83 HB1 ALA 83 0.826 11.039 -2.029 657 HB2 ALA 83 HB2 ALA 83 -0.377 9.719 -2.063 658 HB3 ALA 83 HB3 ALA 83 -0.906 11.405 -1.914 659 H LEU 84 H LEU 84 2.396 10.829 0.486 660 HA LEU 84 HA LEU 84 3.131 8.025 0.698 661 HB2 LEU 84 HB2 LEU 84 4.700 10.024 0.325 662 HB3 LEU 84 HB3 LEU 84 4.555 10.403 2.032 663 HG LEU 84 HG LEU 84 6.578 9.270 1.235 664 HD11 LEU 84 HD11 LEU 84 6.878 7.644 2.967 665 HD12 LEU 84 HD12 LEU 84 5.136 7.387 3.136 666 HD13 LEU 84 HD13 LEU 84 5.860 8.942 3.611 667 HD21 LEU 84 HD21 LEU 84 5.117 7.862 -0.448 668 HD22 LEU 84 HD22 LEU 84 5.065 6.675 0.874 669 HD23 LEU 84 HD23 LEU 84 6.606 7.234 0.180 670 H ALA 85 H ALA 85 2.595 10.495 3.179 671 HA ALA 85 HA ALA 85 2.678 8.699 5.411 672 HB1 ALA 85 HB1 ALA 85 2.884 11.167 5.594 673 HB2 ALA 85 HB2 ALA 85 1.175 11.342 5.135 674 HB3 ALA 85 HB3 ALA 85 1.609 10.549 6.664 675 H GLN 86 H GLN 86 0.216 9.107 3.160 676 HA GLN 86 HA GLN 86 -1.907 7.750 4.713 677 HB2 GLN 86 HB2 GLN 86 -1.779 8.663 1.820 678 HB3 GLN 86 HB3 GLN 86 -3.140 7.762 2.497 679 HG2 GLN 86 HG2 GLN 86 -3.584 9.510 4.133 680 HG3 GLN 86 HG3 GLN 86 -2.147 10.402 3.658 681 HE21 GLN 86 HE21 GLN 86 -5.538 9.811 2.839 682 HE22 GLN 86 HE22 GLN 86 -5.470 11.015 1.530 683 H CYS 87 H CYS 87 -0.058 6.943 1.841 684 HA CYS 87 HA CYS 87 -0.645 4.138 1.803 685 HB2 CYS 87 HB2 CYS 87 1.336 5.965 0.505 686 HB3 CYS 87 HB3 CYS 87 1.747 4.248 0.528 687 HG CYS 87 HG CYS 87 -0.628 3.378 -0.474 688 H GLN 88 H GLN 88 1.568 5.842 3.931 689 HA GLN 88 HA GLN 88 3.113 3.538 4.669 690 HB2 GLN 88 HB2 GLN 88 3.767 5.864 5.185 691 HB3 GLN 88 HB3 GLN 88 2.411 6.011 6.320 692 HG2 GLN 88 HG2 GLN 88 3.397 4.352 7.804 693 HG3 GLN 88 HG3 GLN 88 4.642 3.951 6.602 694 HE21 GLN 88 HE21 GLN 88 6.129 4.395 8.561 695 HE22 GLN 88 HE22 GLN 88 6.519 6.124 8.747
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