NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27507 | 2rn9 | 11019 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -24.736 -45.637 -9.049 2 H2 GLY 1 H2 GLY 1 -25.360 -47.019 -9.695 3 H3 GLY 1 H3 GLY 1 -25.790 -45.568 -10.318 4 HA2 GLY 1 2HA GLY 1 -23.135 -46.818 -10.491 5 HA3 GLY 1 1HA GLY 1 -24.289 -46.549 -11.816 6 H SER 2 H SER 2 -21.641 -45.267 -10.112 7 HA SER 2 HA SER 2 -21.712 -42.789 -11.766 8 HB2 SER 2 2HB SER 2 -21.029 -42.853 -8.795 9 HB3 SER 2 3HB SER 2 -20.924 -41.446 -9.867 10 HG SER 2 HG SER 2 -22.853 -41.407 -8.680 11 H PHE 3 H PHE 3 -19.481 -41.938 -12.152 12 HA PHE 3 HA PHE 3 -17.873 -44.047 -12.976 13 HB2 PHE 3 2HB PHE 3 -18.012 -41.816 -14.002 14 HB3 PHE 3 3HB PHE 3 -17.113 -41.123 -12.657 15 HD1 PHE 3 HD2 PHE 3 -16.712 -44.082 -15.009 16 HD2 PHE 3 HD1 PHE 3 -14.884 -40.615 -13.200 17 HE1 PHE 3 HE2 PHE 3 -14.598 -44.559 -16.210 18 HE2 PHE 3 HE1 PHE 3 -12.782 -41.083 -14.435 19 HZ PHE 3 HZ PHE 3 -12.638 -43.051 -15.945 20 H THR 4 H THR 4 -17.122 -41.965 -10.163 21 HA THR 4 HA THR 4 -15.647 -42.057 -8.459 22 HB THR 4 HB THR 4 -14.911 -44.046 -7.459 23 HG1 THR 4 1HG THR 4 -15.387 -45.132 -9.998 24 HG21 THR 4 1HG2 THR 4 -17.580 -44.760 -8.734 25 HG22 THR 4 2HG2 THR 4 -17.370 -43.699 -7.322 26 HG23 THR 4 3HG2 THR 4 -16.891 -45.400 -7.236 27 H MET 5 H MET 5 -13.300 -42.382 -7.754 28 HA MET 5 HA MET 5 -11.397 -42.592 -10.025 29 HB2 MET 5 2HB MET 5 -11.661 -40.187 -8.175 30 HB3 MET 5 3HB MET 5 -10.293 -40.472 -9.250 31 HG2 MET 5 2HG MET 5 -11.822 -40.492 -11.203 32 HG3 MET 5 3HG MET 5 -13.155 -40.034 -10.134 33 HE1 MET 5 3HE MET 5 -12.097 -38.501 -12.819 34 HE2 MET 5 1HE MET 5 -13.544 -37.984 -11.920 35 HE3 MET 5 2HE MET 5 -12.267 -36.809 -12.310 36 HA PRO 6 HA PRO 6 -9.992 -44.241 -5.760 37 HB2 PRO 6 2HB PRO 6 -10.017 -46.967 -6.082 38 HB3 PRO 6 3HB PRO 6 -11.463 -46.009 -5.643 39 HG2 PRO 6 2HG PRO 6 -10.616 -46.917 -8.419 40 HG3 PRO 6 3HG PRO 6 -12.210 -47.145 -7.621 41 HD2 PRO 6 2HD PRO 6 -11.807 -45.077 -9.320 42 HD3 PRO 6 3HD PRO 6 -12.732 -44.857 -7.805 43 H GLY 7 H GLY 7 -8.615 -44.188 -8.804 44 HA2 GLY 7 1HA GLY 7 -6.123 -45.641 -8.132 45 HA3 GLY 7 2HA GLY 7 -6.503 -44.829 -9.650 46 H LEU 8 H LEU 8 -7.266 -42.580 -7.307 47 HA LEU 8 HA LEU 8 -4.563 -41.599 -6.765 48 HB2 LEU 8 2HB LEU 8 -4.834 -39.463 -7.807 49 HB3 LEU 8 3HB LEU 8 -4.909 -40.721 -8.998 50 HG LEU 8 HG LEU 8 -7.472 -39.472 -7.950 51 HD11 LEU 8 1HD1 LEU 8 -7.350 -37.859 -9.809 52 HD12 LEU 8 2HD1 LEU 8 -5.730 -38.455 -10.239 53 HD13 LEU 8 3HD1 LEU 8 -6.011 -37.626 -8.691 54 HD21 LEU 8 3HD2 LEU 8 -8.268 -39.998 -10.261 55 HD22 LEU 8 1HD2 LEU 8 -7.778 -41.451 -9.388 56 HD23 LEU 8 2HD2 LEU 8 -6.706 -40.755 -10.622 57 H VAL 9 H VAL 9 -5.351 -39.013 -5.984 58 HA VAL 9 HA VAL 9 -7.454 -39.400 -3.918 59 HB VAL 9 HB VAL 9 -5.146 -39.749 -3.013 60 HG11 VAL 9 1HG1 VAL 9 -3.916 -38.032 -4.290 61 HG12 VAL 9 2HG1 VAL 9 -4.771 -36.757 -3.386 62 HG13 VAL 9 3HG1 VAL 9 -3.684 -37.876 -2.547 63 HG21 VAL 9 3HG2 VAL 9 -6.620 -37.416 -1.750 64 HG22 VAL 9 1HG2 VAL 9 -7.053 -39.132 -1.560 65 HG23 VAL 9 2HG2 VAL 9 -5.498 -38.540 -0.953 66 H ASP 10 H ASP 10 -6.041 -37.393 -6.220 67 HA ASP 10 HA ASP 10 -6.254 -35.274 -6.917 68 HB2 ASP 10 2HB ASP 10 -8.360 -36.393 -7.647 69 HB3 ASP 10 3HB ASP 10 -9.176 -35.701 -6.250 70 H SER 11 H SER 11 -8.488 -33.342 -5.756 71 HA SER 11 HA SER 11 -7.612 -32.825 -3.057 72 HB2 SER 11 2HB SER 11 -5.655 -31.915 -4.439 73 HB3 SER 11 3HB SER 11 -6.786 -30.712 -5.087 74 HG SER 11 HG SER 11 -5.728 -29.906 -3.225 75 H ASN 12 H ASN 12 -8.548 -30.539 -2.407 76 HA ASN 12 HA ASN 12 -11.157 -30.117 -3.773 77 HB2 ASN 12 2HB ASN 12 -10.154 -28.932 -1.187 78 HB3 ASN 12 3HB ASN 12 -11.679 -28.517 -1.935 79 HD21 ASN 12 1HD2 ASN 12 -12.960 -30.561 -2.713 80 HD22 ASN 12 2HD2 ASN 12 -12.945 -31.908 -1.618 81 HA PRO 13 HA PRO 13 -9.500 -26.745 -5.972 82 HB2 PRO 13 2HB PRO 13 -11.933 -25.067 -5.552 83 HB3 PRO 13 3HB PRO 13 -11.329 -25.792 -7.067 84 HG2 PRO 13 2HG PRO 13 -13.580 -26.738 -5.805 85 HG3 PRO 13 3HG PRO 13 -12.440 -27.836 -6.649 86 HD2 PRO 13 2HD PRO 13 -12.500 -27.123 -3.702 87 HD3 PRO 13 3HD PRO 13 -12.481 -28.755 -4.400 88 H ALA 14 H ALA 14 -8.090 -25.040 -5.332 89 HA ALA 14 HA ALA 14 -8.625 -23.623 -2.788 90 HB1 ALA 14 1HB ALA 14 -6.532 -24.590 -1.811 91 HB2 ALA 14 2HB ALA 14 -7.719 -25.855 -2.200 92 HB3 ALA 14 3HB ALA 14 -6.332 -25.578 -3.278 93 HA PRO 15 HA PRO 15 -6.187 -20.392 -4.635 94 HB2 PRO 15 2HB PRO 15 -5.115 -19.134 -2.420 95 HB3 PRO 15 3HB PRO 15 -6.838 -19.054 -2.878 96 HG2 PRO 15 2HG PRO 15 -5.528 -20.924 -0.882 97 HG3 PRO 15 3HG PRO 15 -6.980 -19.899 -0.647 98 HD2 PRO 15 2HD PRO 15 -7.182 -22.510 -1.287 99 HD3 PRO 15 3HD PRO 15 -8.295 -21.315 -2.017 100 HA PRO 16 HA PRO 16 -1.846 -21.616 -4.841 101 HB2 PRO 16 2HB PRO 16 -0.500 -19.339 -5.470 102 HB3 PRO 16 3HB PRO 16 -1.696 -20.083 -6.571 103 HG2 PRO 16 2HG PRO 16 -2.167 -17.804 -4.616 104 HG3 PRO 16 3HG PRO 16 -2.576 -17.864 -6.365 105 HD2 PRO 16 2HD PRO 16 -4.395 -18.447 -4.423 106 HD3 PRO 16 3HD PRO 16 -4.390 -19.314 -5.984 107 H GLU 17 H GLU 17 -2.365 -22.010 -2.525 108 HA GLU 17 HA GLU 17 -1.597 -22.314 -0.415 109 HB2 GLU 17 2HB GLU 17 0.569 -21.492 -0.823 110 HB3 GLU 17 3HB GLU 17 -0.068 -19.868 -0.535 111 HG2 GLU 17 2HG GLU 17 -0.559 -20.293 1.717 112 HG3 GLU 17 3HG GLU 17 -0.355 -22.036 1.526 113 H SER 18 H SER 18 -2.547 -21.754 1.581 114 HA SER 18 HA SER 18 -4.376 -19.400 1.608 115 HB2 SER 18 2HB SER 18 -4.810 -21.435 3.581 116 HB3 SER 18 3HB SER 18 -5.899 -20.277 2.917 117 HG SER 18 HG SER 18 -5.845 -22.802 2.319 118 H GLN 19 H GLN 19 -4.419 -18.221 3.482 119 HA GLN 19 HA GLN 19 -2.111 -17.704 4.921 120 HB2 GLN 19 2HB GLN 19 -4.912 -16.972 5.030 121 HB3 GLN 19 3HB GLN 19 -4.214 -17.008 6.601 122 HG2 GLN 19 2HG GLN 19 -3.623 -14.919 6.122 123 HG3 GLN 19 3HG GLN 19 -2.308 -15.579 5.145 124 HE21 GLN 19 1HE2 GLN 19 -2.499 -15.203 2.771 125 HE22 GLN 19 2HE2 GLN 19 -3.880 -14.318 2.153 126 H GLU 20 H GLU 20 -1.000 -19.417 5.831 127 HA GLU 20 HA GLU 20 -2.203 -20.564 8.314 128 HB2 GLU 20 2HB GLU 20 -1.248 -22.663 7.863 129 HB3 GLU 20 3HB GLU 20 -2.260 -22.184 6.510 130 HG2 GLU 20 2HG GLU 20 -0.241 -21.633 5.169 131 HG3 GLU 20 3HG GLU 20 0.796 -22.079 6.527 132 H LYS 21 H LYS 21 -0.524 -18.209 8.154 133 HA LYS 21 HA LYS 21 1.753 -19.001 9.916 134 HB2 LYS 21 2HB LYS 21 1.910 -17.174 7.468 135 HB3 LYS 21 3HB LYS 21 3.202 -17.380 8.641 136 HG2 LYS 21 2HG LYS 21 2.132 -19.621 6.865 137 HG3 LYS 21 3HG LYS 21 3.489 -18.576 6.465 138 HD2 LYS 21 2HD LYS 21 4.719 -19.350 8.473 139 HD3 LYS 21 3HD LYS 21 3.378 -20.459 8.862 140 HE2 LYS 21 2HE LYS 21 3.658 -21.636 6.766 141 HE3 LYS 21 3HE LYS 21 4.841 -20.464 6.179 142 HZ1 LYS 21 3HZ LYS 21 5.254 -22.190 8.550 143 HZ2 LYS 21 1HZ LYS 21 6.406 -21.220 7.820 144 HZ3 LYS 21 2HZ LYS 21 5.778 -22.542 7.057 145 H LYS 22 H LYS 22 1.499 -17.784 11.752 146 HA LYS 22 HA LYS 22 0.873 -14.866 11.480 147 HB2 LYS 22 2HB LYS 22 -1.178 -16.192 12.017 148 HB3 LYS 22 3HB LYS 22 -0.434 -16.694 13.532 149 HG2 LYS 22 2HG LYS 22 -0.471 -14.391 14.365 150 HG3 LYS 22 3HG LYS 22 -0.977 -13.776 12.782 151 HD2 LYS 22 2HD LYS 22 -3.155 -14.768 12.983 152 HD3 LYS 22 3HD LYS 22 -2.621 -15.835 14.277 153 HE2 LYS 22 2HE LYS 22 -3.994 -14.205 15.296 154 HE3 LYS 22 3HE LYS 22 -2.338 -13.904 15.800 155 HZ1 LYS 22 3HZ LYS 22 -3.848 -12.350 13.764 156 HZ2 LYS 22 1HZ LYS 22 -2.272 -12.076 14.157 157 HZ3 LYS 22 2HZ LYS 22 -3.472 -11.857 15.259 158 HA PRO 23 HA PRO 23 4.473 -15.886 14.383 159 HB2 PRO 23 2HB PRO 23 6.599 -14.794 13.058 160 HB3 PRO 23 3HB PRO 23 5.969 -16.432 12.696 161 HG2 PRO 23 2HG PRO 23 5.324 -13.832 11.256 162 HG3 PRO 23 3HG PRO 23 5.851 -15.389 10.538 163 HD2 PRO 23 2HD PRO 23 3.220 -14.698 10.671 164 HD3 PRO 23 3HD PRO 23 3.756 -16.385 10.929 165 H LEU 24 H LEU 24 5.477 -14.489 15.864 166 HA LEU 24 HA LEU 24 4.540 -11.732 16.054 167 HB2 LEU 24 2HB LEU 24 6.397 -13.506 17.685 168 HB3 LEU 24 3HB LEU 24 6.331 -11.772 17.947 169 HG LEU 24 HG LEU 24 3.904 -11.893 18.422 170 HD11 LEU 24 1HD1 LEU 24 4.348 -14.907 18.307 171 HD12 LEU 24 2HD1 LEU 24 3.233 -13.957 17.289 172 HD13 LEU 24 3HD1 LEU 24 2.931 -14.111 19.016 173 HD21 LEU 24 3HD2 LEU 24 4.182 -12.887 20.664 174 HD22 LEU 24 1HD2 LEU 24 5.589 -11.911 20.220 175 HD23 LEU 24 2HD2 LEU 24 5.684 -13.682 20.136 176 H LYS 25 H LYS 25 5.357 -10.258 14.705 177 HA LYS 25 HA LYS 25 8.325 -9.874 14.545 178 HB2 LYS 25 2HB LYS 25 6.399 -9.674 12.207 179 HB3 LYS 25 3HB LYS 25 8.057 -9.086 12.200 180 HG2 LYS 25 2HG LYS 25 7.219 -12.003 12.530 181 HG3 LYS 25 3HG LYS 25 7.842 -11.240 11.068 182 HD2 LYS 25 2HD LYS 25 9.973 -10.697 12.383 183 HD3 LYS 25 3HD LYS 25 9.357 -11.700 13.675 184 HE2 LYS 25 2HE LYS 25 10.846 -13.057 12.435 185 HE3 LYS 25 3HE LYS 25 9.212 -13.634 12.068 186 HZ1 LYS 25 3HZ LYS 25 9.346 -12.300 9.993 187 HZ2 LYS 25 1HZ LYS 25 10.548 -13.417 10.030 188 HZ3 LYS 25 2HZ LYS 25 10.846 -11.816 10.362 189 HA PRO 26 HA PRO 26 5.674 -6.505 16.252 190 HB2 PRO 26 2HB PRO 26 7.149 -5.807 18.458 191 HB3 PRO 26 3HB PRO 26 6.061 -7.228 18.407 192 HG2 PRO 26 2HG PRO 26 9.065 -7.165 17.962 193 HG3 PRO 26 3HG PRO 26 8.124 -8.272 19.014 194 HD2 PRO 26 2HD PRO 26 8.903 -8.987 16.510 195 HD3 PRO 26 3HD PRO 26 7.316 -9.491 17.166 196 H CYS 27 H CYS 27 5.705 -4.452 15.598 197 HA CYS 27 HA CYS 27 7.934 -2.688 15.705 198 HB2 CYS 27 2HB CYS 27 8.251 -2.295 13.289 199 HB3 CYS 27 3HB CYS 27 8.655 -3.959 13.702 200 HG CYS 27 HG CYS 27 6.556 -5.109 12.875 201 H CYS 28 H CYS 28 7.095 -0.740 13.976 202 HA CYS 28 HA CYS 28 4.138 -0.352 14.274 203 HB2 CYS 28 2HB CYS 28 6.258 1.822 14.624 204 HB3 CYS 28 3HB CYS 28 4.515 2.006 14.778 205 HG CYS 28 HG CYS 28 4.356 0.136 16.798 206 H ALA 29 H ALA 29 5.965 -1.211 11.926 207 HA ALA 29 HA ALA 29 6.029 1.076 10.142 208 HB1 ALA 29 1HB ALA 29 7.748 -0.638 10.012 209 HB2 ALA 29 2HB ALA 29 6.511 -1.873 9.610 210 HB3 ALA 29 3HB ALA 29 6.820 -0.533 8.487 211 H CYS 30 H CYS 30 3.632 1.521 10.427 212 HA CYS 30 HA CYS 30 1.453 1.489 9.659 213 HB2 CYS 30 2HB CYS 30 2.913 1.157 7.078 214 HB3 CYS 30 3HB CYS 30 1.360 1.865 7.334 215 HA PRO 31 HA PRO 31 0.796 -3.319 8.819 216 HB2 PRO 31 2HB PRO 31 -0.863 -3.396 11.046 217 HB3 PRO 31 3HB PRO 31 0.862 -3.894 11.069 218 HG2 PRO 31 2HG PRO 31 -0.366 -1.249 11.919 219 HG3 PRO 31 3HG PRO 31 0.873 -2.227 12.774 220 HD2 PRO 31 2HD PRO 31 1.594 -0.091 11.242 221 HD3 PRO 31 3HD PRO 31 2.561 -1.588 11.225 222 H GLU 32 H GLU 32 -1.536 -0.820 10.074 223 HA GLU 32 HA GLU 32 -3.685 -1.902 8.677 224 HB2 GLU 32 2HB GLU 32 -4.138 0.839 8.357 225 HB3 GLU 32 3HB GLU 32 -4.710 -0.199 9.599 226 HG2 GLU 32 2HG GLU 32 -2.546 0.455 10.919 227 HG3 GLU 32 3HG GLU 32 -2.313 1.666 9.656 228 H THR 33 H THR 33 -1.288 0.375 7.364 229 HA THR 33 HA THR 33 -2.824 0.722 5.001 230 HB THR 33 HB THR 33 -1.027 2.125 4.191 231 HG1 THR 33 1HG THR 33 0.950 2.211 5.048 232 HG21 THR 33 1HG2 THR 33 -0.927 3.749 5.832 233 HG22 THR 33 2HG2 THR 33 -0.935 2.560 7.161 234 HG23 THR 33 3HG2 THR 33 -2.401 2.875 6.206 235 H LYS 34 H LYS 34 0.343 -0.808 5.479 236 HA LYS 34 HA LYS 34 0.849 -2.164 3.089 237 HB2 LYS 34 2HB LYS 34 2.327 -1.984 5.095 238 HB3 LYS 34 3HB LYS 34 1.162 -2.791 6.087 239 HG2 LYS 34 2HG LYS 34 2.970 -4.152 4.091 240 HG3 LYS 34 3HG LYS 34 3.023 -4.069 5.869 241 HD2 LYS 34 2HD LYS 34 0.817 -5.253 5.937 242 HD3 LYS 34 3HD LYS 34 1.103 -5.692 4.230 243 HE2 LYS 34 2HE LYS 34 2.705 -6.382 6.713 244 HE3 LYS 34 3HE LYS 34 1.691 -7.461 5.753 245 HZ1 LYS 34 3HZ LYS 34 4.267 -6.254 4.897 246 HZ2 LYS 34 1HZ LYS 34 3.265 -6.995 3.849 247 HZ3 LYS 34 2HZ LYS 34 3.881 -7.869 5.035 248 H LYS 35 H LYS 35 -0.756 -3.541 5.860 249 HA LYS 35 HA LYS 35 -1.510 -6.035 4.740 250 HB2 LYS 35 2HB LYS 35 -1.239 -5.131 7.118 251 HB3 LYS 35 3HB LYS 35 -2.782 -4.460 7.063 252 HG2 LYS 35 2HG LYS 35 -3.151 -6.470 8.185 253 HG3 LYS 35 3HG LYS 35 -3.568 -6.897 6.569 254 HD2 LYS 35 2HD LYS 35 -2.329 -8.698 7.484 255 HD3 LYS 35 3HD LYS 35 -1.289 -7.939 6.246 256 HE2 LYS 35 2HE LYS 35 0.058 -6.904 7.821 257 HE3 LYS 35 3HE LYS 35 -1.317 -6.746 8.939 258 HZ1 LYS 35 3HZ LYS 35 -1.068 -9.097 9.484 259 HZ2 LYS 35 1HZ LYS 35 0.307 -8.329 9.838 260 HZ3 LYS 35 2HZ LYS 35 0.229 -9.262 8.499 261 H ALA 36 H ALA 36 -3.442 -3.126 5.126 262 HA ALA 36 HA ALA 36 -5.748 -4.072 3.657 263 HB1 ALA 36 1HB ALA 36 -4.807 -1.201 4.010 264 HB2 ALA 36 2HB ALA 36 -6.418 -1.731 3.470 265 HB3 ALA 36 3HB ALA 36 -5.879 -2.106 5.117 266 H ARG 37 H ARG 37 -2.811 -2.350 2.436 267 HA ARG 37 HA ARG 37 -3.400 -2.050 -0.369 268 HB2 ARG 37 2HB ARG 37 -1.106 -1.668 1.110 269 HB3 ARG 37 3HB ARG 37 -0.701 -3.218 0.544 270 HG2 ARG 37 2HG ARG 37 -1.769 -1.607 -1.606 271 HG3 ARG 37 3HG ARG 37 -0.480 -0.797 -0.797 272 HD2 ARG 37 2HD ARG 37 0.142 -2.085 -2.878 273 HD3 ARG 37 3HD ARG 37 1.011 -2.260 -1.414 274 HE ARG 37 HE ARG 37 -0.335 -4.393 -1.081 275 HH11 ARG 37 1HH1 ARG 37 1.499 -3.301 -3.877 276 HH12 ARG 37 2HH1 ARG 37 2.442 -4.771 -3.976 277 HH21 ARG 37 1HH2 ARG 37 1.105 -6.243 -1.228 278 HH22 ARG 37 2HH2 ARG 37 2.050 -6.441 -2.652 279 H ASP 38 H ASP 38 -1.909 -4.771 1.240 280 HA ASP 38 HA ASP 38 -1.416 -6.163 -1.072 281 HB2 ASP 38 2HB ASP 38 -1.051 -6.501 1.754 282 HB3 ASP 38 3HB ASP 38 -1.714 -8.034 1.167 283 H ALA 39 H ALA 39 -4.224 -6.505 1.148 284 HA ALA 39 HA ALA 39 -5.611 -8.652 0.052 285 HB1 ALA 39 1HB ALA 39 -6.207 -7.356 2.126 286 HB2 ALA 39 2HB ALA 39 -6.702 -5.993 1.087 287 HB3 ALA 39 3HB ALA 39 -7.603 -7.520 1.028 288 H CYS 40 H CYS 40 -5.681 -5.263 -1.219 289 HA CYS 40 HA CYS 40 -7.608 -5.861 -3.328 290 HB2 CYS 40 2HB CYS 40 -6.891 -3.620 -2.281 291 HB3 CYS 40 3HB CYS 40 -5.383 -3.798 -3.101 292 H ILE 41 H ILE 41 -4.074 -5.723 -3.123 293 HA ILE 41 HA ILE 41 -3.436 -6.201 -5.882 294 HB ILE 41 HB ILE 41 -1.887 -6.457 -3.347 295 HG12 ILE 41 2HG1 ILE 41 -0.549 -4.694 -4.539 296 HG13 ILE 41 3HG1 ILE 41 -1.808 -4.643 -5.713 297 HG21 ILE 41 1HG2 ILE 41 0.166 -6.856 -4.698 298 HG22 ILE 41 2HG2 ILE 41 -0.941 -8.249 -4.659 299 HG23 ILE 41 3HG2 ILE 41 -0.912 -7.179 -6.080 300 HD11 ILE 41 3HD1 ILE 41 -1.981 -2.774 -4.240 301 HD12 ILE 41 1HD1 ILE 41 -3.354 -3.880 -3.950 302 HD13 ILE 41 2HD1 ILE 41 -2.003 -3.889 -2.849 303 H ILE 42 H ILE 42 -3.895 -8.433 -3.198 304 HA ILE 42 HA ILE 42 -3.375 -10.952 -4.303 305 HB ILE 42 HB ILE 42 -5.188 -9.773 -2.205 306 HG12 ILE 42 2HG1 ILE 42 -2.894 -11.758 -2.103 307 HG13 ILE 42 3HG1 ILE 42 -2.747 -10.026 -1.817 308 HG21 ILE 42 1HG2 ILE 42 -6.006 -11.936 -1.429 309 HG22 ILE 42 2HG2 ILE 42 -6.655 -11.457 -2.982 310 HG23 ILE 42 3HG2 ILE 42 -5.367 -12.693 -2.910 311 HD11 ILE 42 3HD1 ILE 42 -2.708 -11.168 0.290 312 HD12 ILE 42 1HD1 ILE 42 -4.240 -10.288 0.192 313 HD13 ILE 42 2HD1 ILE 42 -4.199 -12.051 -0.063 314 H GLU 43 H GLU 43 -6.224 -8.957 -4.696 315 HA GLU 43 HA GLU 43 -7.835 -11.095 -5.889 316 HB2 GLU 43 2HB GLU 43 -8.080 -8.974 -4.080 317 HB3 GLU 43 3HB GLU 43 -8.844 -8.288 -5.433 318 HG2 GLU 43 2HG GLU 43 -9.596 -11.088 -4.480 319 HG3 GLU 43 3HG GLU 43 -9.924 -9.637 -3.540 320 H LYS 44 H LYS 44 -6.846 -7.800 -6.625 321 HA LYS 44 HA LYS 44 -7.499 -8.173 -9.544 322 HB2 LYS 44 2HB LYS 44 -6.986 -5.553 -8.120 323 HB3 LYS 44 3HB LYS 44 -7.683 -5.862 -9.726 324 HG2 LYS 44 2HG LYS 44 -9.460 -7.267 -8.464 325 HG3 LYS 44 3HG LYS 44 -8.901 -6.453 -7.002 326 HD2 LYS 44 2HD LYS 44 -9.471 -4.302 -7.837 327 HD3 LYS 44 3HD LYS 44 -9.772 -4.919 -9.477 328 HE2 LYS 44 2HE LYS 44 -11.302 -5.946 -7.045 329 HE3 LYS 44 3HE LYS 44 -11.872 -4.534 -7.964 330 HZ1 LYS 44 3HZ LYS 44 -11.324 -7.138 -9.292 331 HZ2 LYS 44 1HZ LYS 44 -12.185 -5.855 -9.867 332 HZ3 LYS 44 2HZ LYS 44 -12.803 -6.781 -8.702 333 H GLY 45 H GLY 45 -4.958 -6.438 -7.770 334 HA2 GLY 45 1HA GLY 45 -2.593 -7.435 -8.375 335 HA3 GLY 45 2HA GLY 45 -3.020 -6.895 -9.998 336 H GLU 46 H GLU 46 -0.749 -5.787 -8.764 337 HA GLU 46 HA GLU 46 -1.240 -3.354 -7.248 338 HB2 GLU 46 2HB GLU 46 1.055 -4.194 -9.126 339 HB3 GLU 46 3HB GLU 46 1.104 -2.850 -8.062 340 HG2 GLU 46 2HG GLU 46 2.346 -4.247 -6.808 341 HG3 GLU 46 3HG GLU 46 0.787 -4.668 -6.179 342 H GLU 47 H GLU 47 -1.259 -4.121 -10.682 343 HA GLU 47 HA GLU 47 -1.250 -1.432 -11.576 344 HB2 GLU 47 2HB GLU 47 -1.882 -2.363 -13.716 345 HB3 GLU 47 3HB GLU 47 -0.712 -3.431 -12.953 346 HG2 GLU 47 2HG GLU 47 -2.660 -4.847 -12.131 347 HG3 GLU 47 3HG GLU 47 -3.725 -3.771 -13.061 348 H HIS 48 H HIS 48 -3.776 -3.207 -9.943 349 HA HIS 48 HA HIS 48 -5.970 -1.493 -11.043 350 HB2 HIS 48 2HB HIS 48 -5.816 -4.304 -9.891 351 HB3 HIS 48 3HB HIS 48 -7.336 -3.463 -10.079 352 HD2 HIS 48 2HD HIS 48 -5.312 -5.873 -11.829 353 HE1 HIS 48 1HE HIS 48 -6.658 -3.517 -15.084 354 HE2 HIS 48 2HE HIS 48 -5.278 -5.516 -14.425 355 H CYS 49 H CYS 49 -3.872 -1.849 -8.564 356 HA CYS 49 HA CYS 49 -5.560 -0.792 -6.390 357 HB2 CYS 49 2HB CYS 49 -3.571 -3.068 -6.422 358 HB3 CYS 49 3HB CYS 49 -4.208 -2.443 -5.069 359 H GLY 50 H GLY 50 -3.502 0.540 -8.214 360 HA2 GLY 50 1HA GLY 50 -1.517 1.177 -6.133 361 HA3 GLY 50 2HA GLY 50 -1.207 1.566 -7.723 362 H HIS 51 H HIS 51 -4.510 2.374 -6.952 363 HA HIS 51 HA HIS 51 -4.010 4.867 -5.464 364 HB2 HIS 51 2HB HIS 51 -6.369 4.807 -4.992 365 HB3 HIS 51 3HB HIS 51 -6.119 4.472 -6.708 366 HD2 HIS 51 2HD HIS 51 -8.271 3.303 -4.033 367 HE1 HIS 51 1HE HIS 51 -7.723 -0.186 -6.397 368 HE2 HIS 51 2HE HIS 51 -9.236 0.965 -4.702 369 H LEU 52 H LEU 52 -4.778 1.443 -4.709 370 HA LEU 52 HA LEU 52 -4.338 1.766 -1.858 371 HB2 LEU 52 2HB LEU 52 -4.774 -0.541 -3.768 372 HB3 LEU 52 3HB LEU 52 -3.959 -1.014 -2.461 373 HG LEU 52 HG LEU 52 -6.729 -0.742 -2.862 374 HD11 LEU 52 1HD1 LEU 52 -5.607 -2.211 -1.145 375 HD12 LEU 52 2HD1 LEU 52 -7.006 -1.357 -0.475 376 HD13 LEU 52 3HD1 LEU 52 -5.358 -0.792 -0.121 377 HD21 LEU 52 3HD2 LEU 52 -6.090 1.382 -0.820 378 HD22 LEU 52 1HD2 LEU 52 -7.681 0.812 -1.367 379 HD23 LEU 52 2HD2 LEU 52 -6.608 1.709 -2.484 380 H ILE 53 H ILE 53 -2.016 1.156 -4.439 381 HA ILE 53 HA ILE 53 0.119 1.106 -2.495 382 HB ILE 53 HB ILE 53 0.217 1.998 -5.399 383 HG12 ILE 53 2HG1 ILE 53 1.414 -0.509 -4.359 384 HG13 ILE 53 3HG1 ILE 53 -0.301 -0.536 -4.276 385 HG21 ILE 53 1HG2 ILE 53 2.103 2.897 -4.150 386 HG22 ILE 53 2HG2 ILE 53 2.418 1.292 -3.433 387 HG23 ILE 53 3HG2 ILE 53 2.646 1.561 -5.177 388 HD11 ILE 53 3HD1 ILE 53 0.873 -1.631 -6.248 389 HD12 ILE 53 1HD1 ILE 53 -0.304 -0.451 -6.781 390 HD13 ILE 53 2HD1 ILE 53 1.427 -0.037 -6.787 391 H GLU 54 H GLU 54 -1.102 4.000 -4.392 392 HA GLU 54 HA GLU 54 0.719 5.827 -3.317 393 HB2 GLU 54 2HB GLU 54 -2.112 6.214 -4.333 394 HB3 GLU 54 3HB GLU 54 -1.075 7.551 -3.882 395 HG2 GLU 54 2HG GLU 54 -0.302 5.531 -6.038 396 HG3 GLU 54 3HG GLU 54 -1.176 7.028 -6.364 397 H ALA 55 H ALA 55 -2.593 5.126 -2.158 398 HA ALA 55 HA ALA 55 -2.718 7.011 -0.107 399 HB1 ALA 55 1HB ALA 55 -4.659 5.705 -0.877 400 HB2 ALA 55 2HB ALA 55 -3.909 4.178 -0.368 401 HB3 ALA 55 3HB ALA 55 -4.427 5.375 0.849 402 H HIS 56 H HIS 56 -1.490 3.685 -0.026 403 HA HIS 56 HA HIS 56 -0.718 3.766 2.790 404 HB2 HIS 56 2HB HIS 56 -0.394 1.647 0.620 405 HB3 HIS 56 3HB HIS 56 -0.027 1.411 2.293 406 HD2 HIS 56 2HD HIS 56 -2.554 -0.088 0.670 407 HE1 HIS 56 1HE HIS 56 -5.038 2.084 3.336 408 HE2 HIS 56 2HE HIS 56 -4.916 0.066 1.780 409 H LYS 57 H LYS 57 0.866 4.013 -0.326 410 HA LYS 57 HA LYS 57 3.501 3.812 0.159 411 HB2 LYS 57 2HB LYS 57 1.879 4.379 -1.883 412 HB3 LYS 57 3HB LYS 57 2.310 5.956 -1.672 413 HG2 LYS 57 2HG LYS 57 4.786 4.903 -1.888 414 HG3 LYS 57 3HG LYS 57 3.817 3.488 -2.381 415 HD2 LYS 57 2HD LYS 57 2.650 4.971 -4.058 416 HD3 LYS 57 3HD LYS 57 3.740 6.287 -3.647 417 HE2 LYS 57 2HE LYS 57 5.594 5.230 -4.650 418 HE3 LYS 57 3HE LYS 57 4.812 3.640 -4.690 419 HZ1 LYS 57 3HZ LYS 57 3.454 4.315 -6.459 420 HZ2 LYS 57 1HZ LYS 57 4.874 5.094 -6.811 421 HZ3 LYS 57 2HZ LYS 57 3.574 5.890 -6.128 422 H GLU 58 H GLU 58 1.528 6.757 0.439 423 HA GLU 58 HA GLU 58 3.290 8.615 1.463 424 HB2 GLU 58 2HB GLU 58 0.517 8.260 1.360 425 HB3 GLU 58 3HB GLU 58 0.722 8.180 3.057 426 HG2 GLU 58 2HG GLU 58 2.175 10.409 1.767 427 HG3 GLU 58 3HG GLU 58 0.428 10.436 1.584 428 H CYS 59 H CYS 59 1.609 6.140 3.246 429 HA CYS 59 HA CYS 59 2.296 7.047 5.660 430 HB2 CYS 59 2HB CYS 59 0.467 5.567 5.320 431 HB3 CYS 59 3HB CYS 59 1.416 4.175 4.855 432 H MET 60 H MET 60 3.858 4.535 3.792 433 HA MET 60 HA MET 60 6.098 3.864 5.520 434 HB2 MET 60 2HB MET 60 5.403 3.465 2.580 435 HB3 MET 60 3HB MET 60 7.001 3.099 3.206 436 HG2 MET 60 2HG MET 60 5.907 1.052 3.351 437 HG3 MET 60 3HG MET 60 5.908 1.674 4.993 438 HE1 MET 60 3HE MET 60 3.893 0.231 2.095 439 HE2 MET 60 1HE MET 60 2.266 0.925 2.280 440 HE3 MET 60 2HE MET 60 3.608 1.954 1.735 441 H ARG 61 H ARG 61 5.762 6.207 2.715 442 HA ARG 61 HA ARG 61 8.503 6.956 2.608 443 HB2 ARG 61 2HB ARG 61 6.623 7.608 0.988 444 HB3 ARG 61 3HB ARG 61 6.025 8.734 2.180 445 HG2 ARG 61 2HG ARG 61 8.008 10.106 2.055 446 HG3 ARG 61 3HG ARG 61 8.828 8.941 0.998 447 HD2 ARG 61 2HD ARG 61 7.440 9.453 -0.853 448 HD3 ARG 61 3HD ARG 61 6.147 10.070 0.176 449 HE ARG 61 HE ARG 61 7.089 12.158 0.261 450 HH11 ARG 61 1HH1 ARG 61 9.306 10.169 -1.647 451 HH12 ARG 61 2HH1 ARG 61 10.179 11.582 -2.158 452 HH21 ARG 61 1HH2 ARG 61 8.159 13.802 -0.470 453 HH22 ARG 61 2HH2 ARG 61 9.618 13.616 -1.435 454 H ALA 62 H ALA 62 5.902 8.307 4.647 455 HA ALA 62 HA ALA 62 7.236 10.345 5.988 456 HB1 ALA 62 1HB ALA 62 5.628 9.975 7.779 457 HB2 ALA 62 2HB ALA 62 4.839 9.730 6.208 458 HB3 ALA 62 3HB ALA 62 5.301 8.335 7.197 459 H LEU 63 H LEU 63 7.645 6.874 6.520 460 HA LEU 63 HA LEU 63 9.105 6.984 9.009 461 HB2 LEU 63 2HB LEU 63 9.021 4.844 6.841 462 HB3 LEU 63 3HB LEU 63 9.580 4.610 8.423 463 HG LEU 63 HG LEU 63 6.751 4.975 7.401 464 HD11 LEU 63 1HD1 LEU 63 7.331 2.749 7.493 465 HD12 LEU 63 2HD1 LEU 63 6.258 3.017 8.851 466 HD13 LEU 63 3HD1 LEU 63 8.008 2.875 9.147 467 HD21 LEU 63 3HD2 LEU 63 7.553 5.178 10.307 468 HD22 LEU 63 1HD2 LEU 63 5.871 5.057 9.676 469 HD23 LEU 63 2HD2 LEU 63 6.838 6.487 9.318 470 H GLY 64 H GLY 64 10.081 7.736 5.829 471 HA2 GLY 64 1HA GLY 64 12.175 8.190 5.013 472 HA3 GLY 64 2HA GLY 64 12.987 7.355 6.365 473 H PHE 65 H PHE 65 10.358 5.699 4.835 474 HA PHE 65 HA PHE 65 12.109 3.744 3.530 475 HB2 PHE 65 2HB PHE 65 9.128 4.180 3.521 476 HB3 PHE 65 3HB PHE 65 9.890 2.909 2.673 477 HD1 PHE 65 HD1 PHE 65 11.105 3.674 6.203 478 HD2 PHE 65 HD2 PHE 65 8.352 1.396 3.761 479 HE1 PHE 65 HE1 PHE 65 10.624 2.242 8.091 480 HE2 PHE 65 HE2 PHE 65 7.685 0.126 5.764 481 HZ PHE 65 HZ PHE 65 8.840 0.541 7.937 482 H LYS 66 H LYS 66 11.712 3.261 1.174 483 HA LYS 66 HA LYS 66 12.710 5.736 0.017 484 HB2 LYS 66 2HB LYS 66 13.288 2.889 -0.796 485 HB3 LYS 66 3HB LYS 66 14.202 4.370 -1.145 486 HG2 LYS 66 2HG LYS 66 14.102 4.516 1.623 487 HG3 LYS 66 3HG LYS 66 13.999 2.764 1.402 488 HD2 LYS 66 2HD LYS 66 15.995 3.180 -0.221 489 HD3 LYS 66 3HD LYS 66 16.045 4.780 0.551 490 HE2 LYS 66 2HE LYS 66 16.337 2.043 1.948 491 HE3 LYS 66 3HE LYS 66 17.685 3.099 1.547 492 HZ1 LYS 66 3HZ LYS 66 17.000 3.291 3.879 493 HZ2 LYS 66 1HZ LYS 66 15.532 3.901 3.422 494 HZ3 LYS 66 2HZ LYS 66 16.921 4.715 3.084 495 H ILE 67 H ILE 67 10.607 6.228 -0.193 496 HA ILE 67 HA ILE 67 9.142 5.323 -2.663 497 HB ILE 67 HB ILE 67 8.203 6.786 -0.182 498 HG12 ILE 67 2HG1 ILE 67 6.552 4.936 0.043 499 HG13 ILE 67 3HG1 ILE 67 7.313 4.075 -1.282 500 HG21 ILE 67 1HG2 ILE 67 5.909 6.759 -1.153 501 HG22 ILE 67 2HG2 ILE 67 6.993 7.721 -2.134 502 HG23 ILE 67 3HG2 ILE 67 6.589 6.088 -2.678 503 HD11 ILE 67 3HD1 ILE 67 9.253 3.641 0.046 504 HD12 ILE 67 1HD1 ILE 67 8.680 4.773 1.313 505 HD13 ILE 67 2HD1 ILE 67 7.833 3.245 1.000 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -13.251 -49.469 -14.768 2 H2 GLY 1 H2 GLY 1 -14.181 -48.259 -14.150 3 H3 GLY 1 H3 GLY 1 -14.399 -49.805 -13.626 4 HA2 GLY 1 2HA GLY 1 -13.207 -48.617 -11.950 5 HA3 GLY 1 1HA GLY 1 -12.130 -49.804 -12.721 6 H SER 2 H SER 2 -10.365 -48.427 -11.978 7 HA SER 2 HA SER 2 -8.770 -46.793 -12.170 8 HB2 SER 2 2HB SER 2 -9.157 -47.675 -15.040 9 HB3 SER 2 3HB SER 2 -7.661 -47.049 -14.320 10 HG SER 2 HG SER 2 -7.713 -48.822 -12.862 11 H PHE 3 H PHE 3 -10.872 -45.055 -11.853 12 HA PHE 3 HA PHE 3 -9.717 -42.713 -13.206 13 HB2 PHE 3 2HB PHE 3 -12.679 -43.398 -13.302 14 HB3 PHE 3 3HB PHE 3 -12.093 -41.759 -13.487 15 HD1 PHE 3 1HD PHE 3 -10.522 -41.165 -15.422 16 HD2 PHE 3 2HD PHE 3 -12.795 -44.817 -15.228 17 HE1 PHE 3 1HE PHE 3 -10.422 -41.359 -17.893 18 HE2 PHE 3 2HE PHE 3 -12.638 -45.050 -17.688 19 HZ PHE 3 HZ PHE 3 -11.477 -43.303 -19.037 20 H THR 4 H THR 4 -10.507 -40.637 -12.079 21 HA THR 4 HA THR 4 -11.298 -41.070 -9.204 22 HB THR 4 HB THR 4 -9.838 -39.194 -8.656 23 HG1 THR 4 1HG THR 4 -8.240 -38.678 -10.267 24 HG21 THR 4 1HG2 THR 4 -8.999 -41.526 -8.402 25 HG22 THR 4 2HG2 THR 4 -7.715 -40.345 -8.707 26 HG23 THR 4 3HG2 THR 4 -8.268 -41.415 -10.020 27 H MET 5 H MET 5 -11.362 -38.733 -11.895 28 HA MET 5 HA MET 5 -12.421 -36.567 -10.726 29 HB2 MET 5 2HB MET 5 -12.021 -37.436 -13.384 30 HB3 MET 5 3HB MET 5 -13.703 -36.920 -13.342 31 HG2 MET 5 2HG MET 5 -12.382 -35.051 -13.967 32 HG3 MET 5 3HG MET 5 -12.948 -34.743 -12.324 33 HE1 MET 5 3HE MET 5 -11.117 -32.739 -12.490 34 HE2 MET 5 1HE MET 5 -9.376 -33.009 -12.720 35 HE3 MET 5 2HE MET 5 -10.504 -33.316 -14.057 36 HA PRO 6 HA PRO 6 -16.955 -37.666 -10.541 37 HB2 PRO 6 2HB PRO 6 -18.079 -39.923 -11.467 38 HB3 PRO 6 3HB PRO 6 -17.357 -38.766 -12.619 39 HG2 PRO 6 2HG PRO 6 -16.077 -41.267 -11.458 40 HG3 PRO 6 3HG PRO 6 -16.195 -40.796 -13.183 41 HD2 PRO 6 2HD PRO 6 -14.007 -40.272 -11.574 42 HD3 PRO 6 3HD PRO 6 -14.466 -39.246 -12.969 43 H GLY 7 H GLY 7 -14.639 -39.485 -8.980 44 HA2 GLY 7 1HA GLY 7 -16.462 -41.197 -7.371 45 HA3 GLY 7 2HA GLY 7 -14.690 -41.181 -7.345 46 H LEU 8 H LEU 8 -15.127 -38.032 -7.089 47 HA LEU 8 HA LEU 8 -16.425 -37.705 -4.552 48 HB2 LEU 8 2HB LEU 8 -14.557 -36.547 -3.469 49 HB3 LEU 8 3HB LEU 8 -14.362 -38.266 -3.512 50 HG LEU 8 HG LEU 8 -13.010 -36.703 -5.710 51 HD11 LEU 8 1HD1 LEU 8 -11.075 -36.256 -4.246 52 HD12 LEU 8 2HD1 LEU 8 -12.000 -36.844 -2.848 53 HD13 LEU 8 3HD1 LEU 8 -12.517 -35.374 -3.714 54 HD21 LEU 8 3HD2 LEU 8 -12.775 -39.179 -5.656 55 HD22 LEU 8 1HD2 LEU 8 -12.136 -39.090 -4.003 56 HD23 LEU 8 2HD2 LEU 8 -11.222 -38.388 -5.362 57 H VAL 9 H VAL 9 -16.546 -35.487 -3.926 58 HA VAL 9 HA VAL 9 -16.800 -33.740 -6.301 59 HB VAL 9 HB VAL 9 -18.780 -32.912 -5.112 60 HG11 VAL 9 1HG1 VAL 9 -18.912 -34.811 -6.720 61 HG12 VAL 9 2HG1 VAL 9 -18.730 -35.941 -5.357 62 HG13 VAL 9 3HG1 VAL 9 -20.172 -34.899 -5.462 63 HG21 VAL 9 3HG2 VAL 9 -18.082 -33.419 -2.739 64 HG22 VAL 9 1HG2 VAL 9 -19.706 -33.995 -3.153 65 HG23 VAL 9 2HG2 VAL 9 -18.355 -35.135 -3.079 66 H ASP 10 H ASP 10 -14.485 -33.825 -4.552 67 HA ASP 10 HA ASP 10 -12.961 -32.578 -3.472 68 HB2 ASP 10 2HB ASP 10 -13.430 -30.899 -5.267 69 HB3 ASP 10 3HB ASP 10 -14.473 -30.058 -4.163 70 H SER 11 H SER 11 -12.859 -33.009 -1.427 71 HA SER 11 HA SER 11 -14.588 -31.805 0.629 72 HB2 SER 11 2HB SER 11 -16.090 -33.519 -0.271 73 HB3 SER 11 3HB SER 11 -14.846 -34.767 -0.147 74 HG SER 11 HG SER 11 -14.937 -34.425 2.164 75 H ASN 12 H ASN 12 -12.389 -34.556 -0.123 76 HA ASN 12 HA ASN 12 -10.759 -35.641 1.040 77 HB2 ASN 12 2HB ASN 12 -10.284 -32.798 1.859 78 HB3 ASN 12 3HB ASN 12 -9.316 -34.067 2.562 79 HD21 ASN 12 1HD2 ASN 12 -7.709 -35.013 1.319 80 HD22 ASN 12 2HD2 ASN 12 -7.825 -35.078 -0.440 81 HA PRO 13 HA PRO 13 -12.397 -37.138 4.796 82 HB2 PRO 13 2HB PRO 13 -9.872 -37.033 6.370 83 HB3 PRO 13 3HB PRO 13 -10.807 -38.475 5.858 84 HG2 PRO 13 2HG PRO 13 -8.381 -37.859 4.732 85 HG3 PRO 13 3HG PRO 13 -9.716 -38.550 3.765 86 HD2 PRO 13 2HD PRO 13 -9.000 -35.622 4.095 87 HD3 PRO 13 3HD PRO 13 -9.234 -36.504 2.573 88 H ALA 14 H ALA 14 -13.184 -36.396 6.868 89 HA ALA 14 HA ALA 14 -13.534 -35.027 8.656 90 HB1 ALA 14 1HB ALA 14 -11.613 -34.315 9.735 91 HB2 ALA 14 2HB ALA 14 -10.845 -35.284 8.462 92 HB3 ALA 14 3HB ALA 14 -10.973 -33.530 8.271 93 HA PRO 15 HA PRO 15 -14.765 -30.908 7.081 94 HB2 PRO 15 2HB PRO 15 -14.838 -29.256 9.229 95 HB3 PRO 15 3HB PRO 15 -15.920 -30.677 9.118 96 HG2 PRO 15 2HG PRO 15 -13.273 -30.428 10.550 97 HG3 PRO 15 3HG PRO 15 -14.812 -31.056 11.216 98 HD2 PRO 15 2HD PRO 15 -12.822 -32.645 10.210 99 HD3 PRO 15 3HD PRO 15 -14.545 -33.113 10.110 100 HA PRO 16 HA PRO 16 -11.051 -28.629 6.175 101 HB2 PRO 16 2HB PRO 16 -11.872 -26.144 5.432 102 HB3 PRO 16 3HB PRO 16 -12.378 -27.657 4.609 103 HG2 PRO 16 2HG PRO 16 -13.910 -26.171 6.775 104 HG3 PRO 16 3HG PRO 16 -14.487 -26.623 5.139 105 HD2 PRO 16 2HD PRO 16 -14.959 -28.204 7.288 106 HD3 PRO 16 3HD PRO 16 -14.582 -28.915 5.697 107 H GLU 17 H GLU 17 -11.345 -28.824 8.977 108 HA GLU 17 HA GLU 17 -10.786 -26.360 10.396 109 HB2 GLU 17 2HB GLU 17 -10.621 -27.855 12.255 110 HB3 GLU 17 3HB GLU 17 -12.004 -28.313 11.295 111 HG2 GLU 17 2HG GLU 17 -10.576 -30.107 10.236 112 HG3 GLU 17 3HG GLU 17 -9.265 -29.642 11.309 113 H SER 18 H SER 18 -8.827 -28.595 8.653 114 HA SER 18 HA SER 18 -6.352 -28.407 10.013 115 HB2 SER 18 2HB SER 18 -6.800 -29.203 7.267 116 HB3 SER 18 3HB SER 18 -5.479 -29.726 8.324 117 HG SER 18 HG SER 18 -7.237 -30.715 9.644 118 H GLN 19 H GLN 19 -7.028 -25.706 9.685 119 HA GLN 19 HA GLN 19 -4.777 -24.679 8.097 120 HB2 GLN 19 2HB GLN 19 -6.141 -23.272 6.665 121 HB3 GLN 19 3HB GLN 19 -6.551 -24.994 6.429 122 HG2 GLN 19 2HG GLN 19 -8.562 -24.686 7.853 123 HG3 GLN 19 3HG GLN 19 -8.189 -22.994 8.073 124 HE21 GLN 19 1HE2 GLN 19 -10.467 -24.541 6.636 125 HE22 GLN 19 2HE2 GLN 19 -10.536 -23.670 5.107 126 H GLU 20 H GLU 20 -4.252 -22.482 8.552 127 HA GLU 20 HA GLU 20 -5.621 -20.984 10.649 128 HB2 GLU 20 2HB GLU 20 -3.803 -21.106 12.248 129 HB3 GLU 20 3HB GLU 20 -4.441 -22.704 11.909 130 HG2 GLU 20 2HG GLU 20 -2.434 -22.864 10.189 131 HG3 GLU 20 3HG GLU 20 -1.772 -21.521 11.120 132 H LYS 21 H LYS 21 -3.808 -19.045 11.272 133 HA LYS 21 HA LYS 21 -3.758 -17.590 8.777 134 HB2 LYS 21 2HB LYS 21 -2.560 -16.954 11.497 135 HB3 LYS 21 3HB LYS 21 -2.491 -15.847 10.122 136 HG2 LYS 21 2HG LYS 21 -4.989 -15.811 10.028 137 HG3 LYS 21 3HG LYS 21 -5.039 -16.870 11.455 138 HD2 LYS 21 2HD LYS 21 -3.742 -15.150 12.727 139 HD3 LYS 21 3HD LYS 21 -3.810 -14.071 11.334 140 HE2 LYS 21 2HE LYS 21 -6.462 -15.120 12.151 141 HE3 LYS 21 3HE LYS 21 -5.632 -14.294 13.463 142 HZ1 LYS 21 3HZ LYS 21 -6.456 -13.159 10.856 143 HZ2 LYS 21 1HZ LYS 21 -5.367 -12.377 11.864 144 HZ3 LYS 21 2HZ LYS 21 -6.908 -12.697 12.323 145 H LYS 22 H LYS 22 -2.138 -16.898 7.489 146 HA LYS 22 HA LYS 22 0.076 -18.514 6.835 147 HB2 LYS 22 2HB LYS 22 -0.928 -15.765 6.097 148 HB3 LYS 22 3HB LYS 22 0.766 -16.051 5.816 149 HG2 LYS 22 2HG LYS 22 0.090 -18.180 4.532 150 HG3 LYS 22 3HG LYS 22 -1.558 -17.528 4.550 151 HD2 LYS 22 2HD LYS 22 -0.777 -15.474 3.402 152 HD3 LYS 22 3HD LYS 22 0.905 -16.010 3.572 153 HE2 LYS 22 2HE LYS 22 -0.020 -18.134 2.205 154 HE3 LYS 22 3HE LYS 22 -1.195 -16.936 1.635 155 HZ1 LYS 22 3HZ LYS 22 1.756 -16.680 1.525 156 HZ2 LYS 22 1HZ LYS 22 0.741 -15.522 0.983 157 HZ3 LYS 22 2HZ LYS 22 0.837 -16.995 0.223 158 HA PRO 23 HA PRO 23 3.547 -16.908 9.266 159 HB2 PRO 23 2HB PRO 23 5.655 -17.435 7.651 160 HB3 PRO 23 3HB PRO 23 4.664 -18.750 8.341 161 HG2 PRO 23 2HG PRO 23 4.414 -17.523 5.581 162 HG3 PRO 23 3HG PRO 23 4.560 -19.259 6.014 163 HD2 PRO 23 2HD PRO 23 2.150 -18.039 5.589 164 HD3 PRO 23 3HD PRO 23 2.349 -19.347 6.786 165 H LEU 24 H LEU 24 5.595 -15.419 8.673 166 HA LEU 24 HA LEU 24 6.387 -13.355 8.299 167 HB2 LEU 24 2HB LEU 24 4.812 -13.574 5.729 168 HB3 LEU 24 3HB LEU 24 5.705 -12.133 6.173 169 HG LEU 24 HG LEU 24 7.809 -13.420 6.322 170 HD11 LEU 24 1HD1 LEU 24 6.123 -15.719 5.244 171 HD12 LEU 24 2HD1 LEU 24 7.094 -15.703 6.736 172 HD13 LEU 24 3HD1 LEU 24 7.899 -15.662 5.172 173 HD21 LEU 24 3HD2 LEU 24 6.299 -13.677 3.687 174 HD22 LEU 24 1HD2 LEU 24 8.065 -13.698 3.882 175 HD23 LEU 24 2HD2 LEU 24 7.160 -12.230 4.259 176 H LYS 25 H LYS 25 5.499 -12.765 10.221 177 HA LYS 25 HA LYS 25 3.111 -10.974 10.142 178 HB2 LYS 25 2HB LYS 25 2.267 -12.081 12.145 179 HB3 LYS 25 3HB LYS 25 2.417 -13.191 10.776 180 HG2 LYS 25 2HG LYS 25 4.579 -14.048 11.745 181 HG3 LYS 25 3HG LYS 25 4.330 -13.020 13.150 182 HD2 LYS 25 2HD LYS 25 2.596 -15.375 12.270 183 HD3 LYS 25 3HD LYS 25 3.712 -15.301 13.627 184 HE2 LYS 25 2HE LYS 25 1.748 -14.939 14.761 185 HE3 LYS 25 3HE LYS 25 2.239 -13.271 14.430 186 HZ1 LYS 25 3HZ LYS 25 0.767 -13.552 12.366 187 HZ2 LYS 25 1HZ LYS 25 0.007 -13.426 13.816 188 HZ3 LYS 25 2HZ LYS 25 0.165 -14.909 13.080 189 HA PRO 26 HA PRO 26 6.463 -9.035 12.909 190 HB2 PRO 26 2HB PRO 26 7.686 -7.202 11.328 191 HB3 PRO 26 3HB PRO 26 8.149 -8.935 11.307 192 HG2 PRO 26 2HG PRO 26 6.239 -7.519 9.413 193 HG3 PRO 26 3HG PRO 26 7.673 -8.514 8.993 194 HD2 PRO 26 2HD PRO 26 5.167 -9.582 9.067 195 HD3 PRO 26 3HD PRO 26 6.599 -10.502 9.605 196 H CYS 27 H CYS 27 6.669 -6.526 13.295 197 HA CYS 27 HA CYS 27 3.898 -5.415 13.278 198 HB2 CYS 27 2HB CYS 27 5.953 -5.528 15.523 199 HB3 CYS 27 3HB CYS 27 4.359 -4.775 15.640 200 HG CYS 27 HG CYS 27 3.033 -7.048 14.946 201 H CYS 28 H CYS 28 3.877 -3.140 14.265 202 HA CYS 28 HA CYS 28 3.983 -0.958 13.679 203 HB2 CYS 28 2HB CYS 28 6.969 -1.491 13.701 204 HB3 CYS 28 3HB CYS 28 6.243 0.126 13.653 205 HG CYS 28 HG CYS 28 5.187 0.224 15.871 206 H ALA 29 H ALA 29 5.874 0.361 11.842 207 HA ALA 29 HA ALA 29 5.516 1.261 9.791 208 HB1 ALA 29 1HB ALA 29 6.128 -1.600 9.026 209 HB2 ALA 29 2HB ALA 29 6.335 -0.169 7.998 210 HB3 ALA 29 3HB ALA 29 7.320 -0.351 9.472 211 H CYS 30 H CYS 30 3.147 1.486 10.473 212 HA CYS 30 HA CYS 30 0.941 1.636 9.785 213 HB2 CYS 30 2HB CYS 30 2.308 1.309 7.163 214 HB3 CYS 30 3HB CYS 30 0.747 2.058 7.440 215 HA PRO 31 HA PRO 31 0.265 -3.129 9.123 216 HB2 PRO 31 2HB PRO 31 -1.625 -3.036 11.202 217 HB3 PRO 31 3HB PRO 31 0.058 -3.650 11.338 218 HG2 PRO 31 2HG PRO 31 -1.081 -0.941 12.093 219 HG3 PRO 31 3HG PRO 31 0.166 -1.896 12.958 220 HD2 PRO 31 2HD PRO 31 0.863 0.220 11.354 221 HD3 PRO 31 3HD PRO 31 1.838 -1.265 11.398 222 H GLU 32 H GLU 32 -2.272 -0.604 9.986 223 HA GLU 32 HA GLU 32 -4.215 -1.851 8.340 224 HB2 GLU 32 2HB GLU 32 -4.884 0.661 7.763 225 HB3 GLU 32 3HB GLU 32 -5.239 -0.085 9.274 226 HG2 GLU 32 2HG GLU 32 -3.305 1.076 10.326 227 HG3 GLU 32 3HG GLU 32 -2.884 1.783 8.788 228 H THR 33 H THR 33 -1.768 0.555 7.295 229 HA THR 33 HA THR 33 -3.002 0.609 4.757 230 HB THR 33 HB THR 33 -1.375 2.179 4.068 231 HG1 THR 33 1HG THR 33 0.578 2.310 4.704 232 HG21 THR 33 1HG2 THR 33 -2.825 2.905 5.990 233 HG22 THR 33 2HG2 THR 33 -1.350 3.824 5.714 234 HG23 THR 33 3HG2 THR 33 -1.412 2.648 7.046 235 H LYS 34 H LYS 34 0.028 -0.913 5.826 236 HA LYS 34 HA LYS 34 0.848 -2.238 3.416 237 HB2 LYS 34 2HB LYS 34 2.146 -1.868 5.551 238 HB3 LYS 34 3HB LYS 34 0.992 -2.811 6.445 239 HG2 LYS 34 2HG LYS 34 3.140 -3.881 4.617 240 HG3 LYS 34 3HG LYS 34 2.958 -3.895 6.382 241 HD2 LYS 34 2HD LYS 34 0.886 -5.347 6.026 242 HD3 LYS 34 3HD LYS 34 1.561 -5.679 4.417 243 HE2 LYS 34 2HE LYS 34 2.753 -6.135 7.180 244 HE3 LYS 34 3HE LYS 34 2.090 -7.378 6.135 245 HZ1 LYS 34 3HZ LYS 34 4.575 -5.776 5.630 246 HZ2 LYS 34 1HZ LYS 34 4.000 -6.840 4.542 247 HZ3 LYS 34 2HZ LYS 34 4.537 -7.383 5.959 248 H LYS 35 H LYS 35 -0.841 -3.642 6.177 249 HA LYS 35 HA LYS 35 -1.478 -6.149 5.058 250 HB2 LYS 35 2HB LYS 35 -1.476 -5.146 7.421 251 HB3 LYS 35 3HB LYS 35 -3.081 -4.607 7.177 252 HG2 LYS 35 2HG LYS 35 -3.284 -6.589 8.433 253 HG3 LYS 35 3HG LYS 35 -3.695 -7.045 6.823 254 HD2 LYS 35 2HD LYS 35 -2.431 -8.828 7.742 255 HD3 LYS 35 3HD LYS 35 -1.463 -8.041 6.468 256 HE2 LYS 35 2HE LYS 35 0.143 -7.594 7.962 257 HE3 LYS 35 3HE LYS 35 -1.087 -6.535 8.720 258 HZ1 LYS 35 3HZ LYS 35 -1.648 -8.111 10.307 259 HZ2 LYS 35 1HZ LYS 35 -0.035 -8.274 10.255 260 HZ3 LYS 35 2HZ LYS 35 -1.004 -9.377 9.502 261 H ALA 36 H ALA 36 -3.523 -3.294 5.151 262 HA ALA 36 HA ALA 36 -5.611 -4.469 3.452 263 HB1 ALA 36 1HB ALA 36 -6.582 -2.269 3.350 264 HB2 ALA 36 2HB ALA 36 -6.012 -2.553 5.002 265 HB3 ALA 36 3HB ALA 36 -5.085 -1.501 3.904 266 H ARG 37 H ARG 37 -2.708 -2.485 2.562 267 HA ARG 37 HA ARG 37 -3.172 -2.064 -0.253 268 HB2 ARG 37 2HB ARG 37 -0.786 -1.667 1.169 269 HB3 ARG 37 3HB ARG 37 -0.452 -3.271 0.779 270 HG2 ARG 37 2HG ARG 37 -1.495 -1.852 -1.448 271 HG3 ARG 37 3HG ARG 37 -0.280 -0.873 -0.680 272 HD2 ARG 37 2HD ARG 37 -0.030 -2.649 -2.760 273 HD3 ARG 37 3HD ARG 37 1.050 -1.864 -1.756 274 HE ARG 37 HE ARG 37 0.537 -4.332 -0.678 275 HH11 ARG 37 1HH1 ARG 37 2.664 -2.376 -2.688 276 HH12 ARG 37 2HH1 ARG 37 4.064 -3.393 -2.425 277 HH21 ARG 37 1HH2 ARG 37 2.461 -5.590 -0.387 278 HH22 ARG 37 2HH2 ARG 37 3.996 -5.056 -1.028 279 H ASP 38 H ASP 38 -1.644 -4.755 1.375 280 HA ASP 38 HA ASP 38 -1.021 -6.036 -0.922 281 HB2 ASP 38 2HB ASP 38 -1.115 -6.504 1.999 282 HB3 ASP 38 3HB ASP 38 -1.438 -8.040 1.179 283 H ALA 39 H ALA 39 -3.856 -6.432 1.222 284 HA ALA 39 HA ALA 39 -5.265 -8.589 0.155 285 HB1 ALA 39 1HB ALA 39 -5.751 -7.311 2.289 286 HB2 ALA 39 2HB ALA 39 -6.382 -5.985 1.273 287 HB3 ALA 39 3HB ALA 39 -7.196 -7.550 1.272 288 H CYS 40 H CYS 40 -5.407 -5.149 -1.019 289 HA CYS 40 HA CYS 40 -7.427 -5.744 -3.019 290 HB2 CYS 40 2HB CYS 40 -6.712 -3.540 -2.060 291 HB3 CYS 40 3HB CYS 40 -5.208 -3.693 -2.917 292 H ILE 41 H ILE 41 -3.865 -5.550 -3.111 293 HA ILE 41 HA ILE 41 -3.490 -6.154 -5.891 294 HB ILE 41 HB ILE 41 -1.673 -6.384 -3.494 295 HG12 ILE 41 2HG1 ILE 41 -0.464 -4.636 -4.971 296 HG13 ILE 41 3HG1 ILE 41 -1.867 -4.467 -5.859 297 HG21 ILE 41 1HG2 ILE 41 0.207 -6.762 -5.120 298 HG22 ILE 41 2HG2 ILE 41 -0.856 -8.141 -4.912 299 HG23 ILE 41 3HG2 ILE 41 -1.012 -7.126 -6.358 300 HD11 ILE 41 3HD1 ILE 41 -3.114 -3.746 -3.843 301 HD12 ILE 41 1HD1 ILE 41 -1.599 -3.987 -2.939 302 HD13 ILE 41 2HD1 ILE 41 -1.714 -2.731 -4.199 303 H ILE 42 H ILE 42 -3.813 -8.319 -3.112 304 HA ILE 42 HA ILE 42 -3.297 -10.830 -4.293 305 HB ILE 42 HB ILE 42 -4.994 -9.782 -2.024 306 HG12 ILE 42 2HG1 ILE 42 -2.547 -11.579 -2.133 307 HG13 ILE 42 3HG1 ILE 42 -2.487 -9.843 -1.835 308 HG21 ILE 42 1HG2 ILE 42 -4.943 -12.691 -2.822 309 HG22 ILE 42 2HG2 ILE 42 -5.529 -12.069 -1.262 310 HG23 ILE 42 3HG2 ILE 42 -6.351 -11.587 -2.741 311 HD11 ILE 42 3HD1 ILE 42 -3.661 -11.979 -0.001 312 HD12 ILE 42 1HD1 ILE 42 -2.220 -10.980 0.249 313 HD13 ILE 42 2HD1 ILE 42 -3.819 -10.225 0.266 314 H GLU 43 H GLU 43 -6.142 -8.820 -4.586 315 HA GLU 43 HA GLU 43 -7.812 -10.983 -5.583 316 HB2 GLU 43 2HB GLU 43 -7.865 -9.192 -3.598 317 HB3 GLU 43 3HB GLU 43 -8.593 -8.166 -4.774 318 HG2 GLU 43 2HG GLU 43 -9.632 -10.973 -4.140 319 HG3 GLU 43 3HG GLU 43 -9.763 -9.570 -3.068 320 H LYS 44 H LYS 44 -7.171 -7.533 -6.414 321 HA LYS 44 HA LYS 44 -7.900 -8.051 -9.256 322 HB2 LYS 44 2HB LYS 44 -7.349 -5.458 -7.771 323 HB3 LYS 44 3HB LYS 44 -7.836 -5.612 -9.467 324 HG2 LYS 44 2HG LYS 44 -9.504 -6.453 -7.060 325 HG3 LYS 44 3HG LYS 44 -9.746 -5.044 -8.098 326 HD2 LYS 44 2HD LYS 44 -9.912 -6.695 -10.065 327 HD3 LYS 44 3HD LYS 44 -9.982 -7.996 -8.847 328 HE2 LYS 44 2HE LYS 44 -11.953 -6.984 -7.849 329 HE3 LYS 44 3HE LYS 44 -11.877 -5.614 -8.968 330 HZ1 LYS 44 3HZ LYS 44 -13.401 -7.016 -10.009 331 HZ2 LYS 44 1HZ LYS 44 -12.666 -8.415 -9.539 332 HZ3 LYS 44 2HZ LYS 44 -12.084 -7.492 -10.771 333 H GLY 45 H GLY 45 -5.268 -6.281 -7.740 334 HA2 GLY 45 1HA GLY 45 -2.936 -7.323 -8.488 335 HA3 GLY 45 2HA GLY 45 -3.497 -6.828 -10.080 336 H GLU 46 H GLU 46 -1.182 -5.700 -9.183 337 HA GLU 46 HA GLU 46 -1.456 -3.257 -7.582 338 HB2 GLU 46 2HB GLU 46 0.718 -4.189 -9.528 339 HB3 GLU 46 3HB GLU 46 0.889 -2.838 -8.405 340 HG2 GLU 46 2HG GLU 46 0.940 -4.291 -6.513 341 HG3 GLU 46 3HG GLU 46 0.355 -5.673 -7.429 342 H GLU 47 H GLU 47 -1.444 -4.127 -10.952 343 HA GLU 47 HA GLU 47 -1.683 -1.633 -12.278 344 HB2 GLU 47 2HB GLU 47 -2.794 -2.929 -14.048 345 HB3 GLU 47 3HB GLU 47 -1.301 -3.692 -13.422 346 HG2 GLU 47 2HG GLU 47 -3.772 -4.632 -12.046 347 HG3 GLU 47 3HG GLU 47 -3.693 -4.955 -13.782 348 H HIS 48 H HIS 48 -3.983 -3.039 -10.070 349 HA HIS 48 HA HIS 48 -6.253 -1.370 -11.125 350 HB2 HIS 48 2HB HIS 48 -6.037 -4.180 -10.016 351 HB3 HIS 48 3HB HIS 48 -7.531 -3.318 -9.897 352 HD2 HIS 48 2HD HIS 48 -5.880 -5.665 -12.084 353 HE1 HIS 48 1HE HIS 48 -8.374 -3.518 -14.753 354 HE2 HIS 48 2HE HIS 48 -6.935 -5.595 -14.508 355 H CYS 49 H CYS 49 -4.090 -2.109 -8.640 356 HA CYS 49 HA CYS 49 -5.666 -0.840 -6.502 357 HB2 CYS 49 2HB CYS 49 -3.628 -3.069 -6.452 358 HB3 CYS 49 3HB CYS 49 -4.149 -2.362 -5.117 359 H GLY 50 H GLY 50 -3.155 0.126 -8.502 360 HA2 GLY 50 1HA GLY 50 -1.397 0.911 -6.349 361 HA3 GLY 50 2HA GLY 50 -1.138 1.414 -7.936 362 H HIS 51 H HIS 51 -4.364 2.243 -6.943 363 HA HIS 51 HA HIS 51 -3.737 4.723 -5.513 364 HB2 HIS 51 2HB HIS 51 -6.073 4.834 -5.072 365 HB3 HIS 51 3HB HIS 51 -5.862 4.356 -6.755 366 HD2 HIS 51 2HD HIS 51 -7.820 3.422 -3.760 367 HE1 HIS 51 1HE HIS 51 -7.735 -0.159 -6.055 368 HE2 HIS 51 2HE HIS 51 -8.826 1.025 -4.078 369 H LEU 52 H LEU 52 -4.543 1.356 -4.659 370 HA LEU 52 HA LEU 52 -4.105 1.733 -1.787 371 HB2 LEU 52 2HB LEU 52 -4.790 -0.591 -3.609 372 HB3 LEU 52 3HB LEU 52 -3.894 -1.096 -2.407 373 HG LEU 52 HG LEU 52 -6.669 -0.715 -2.556 374 HD11 LEU 52 1HD1 LEU 52 -6.788 -1.301 -0.157 375 HD12 LEU 52 2HD1 LEU 52 -5.083 -0.843 0.037 376 HD13 LEU 52 3HD1 LEU 52 -5.498 -2.217 -0.950 377 HD21 LEU 52 3HD2 LEU 52 -5.790 1.418 -0.593 378 HD22 LEU 52 1HD2 LEU 52 -7.443 0.933 -1.029 379 HD23 LEU 52 2HD2 LEU 52 -6.399 1.750 -2.218 380 H ILE 53 H ILE 53 -1.985 1.058 -4.489 381 HA ILE 53 HA ILE 53 0.188 0.697 -2.542 382 HB ILE 53 HB ILE 53 0.471 1.535 -5.448 383 HG12 ILE 53 2HG1 ILE 53 1.677 -0.938 -4.986 384 HG13 ILE 53 3HG1 ILE 53 0.295 -1.042 -3.926 385 HG21 ILE 53 1HG2 ILE 53 2.271 2.269 -3.826 386 HG22 ILE 53 2HG2 ILE 53 2.436 0.571 -3.313 387 HG23 ILE 53 3HG2 ILE 53 2.843 1.064 -4.983 388 HD11 ILE 53 3HD1 ILE 53 0.222 -0.585 -6.956 389 HD12 ILE 53 1HD1 ILE 53 0.290 -2.179 -6.203 390 HD13 ILE 53 2HD1 ILE 53 -1.102 -1.179 -5.901 391 H GLU 54 H GLU 54 -0.852 3.627 -4.438 392 HA GLU 54 HA GLU 54 0.899 5.473 -3.371 393 HB2 GLU 54 2HB GLU 54 -1.902 5.685 -4.517 394 HB3 GLU 54 3HB GLU 54 -1.047 7.117 -3.997 395 HG2 GLU 54 2HG GLU 54 0.391 5.288 -5.905 396 HG3 GLU 54 3HG GLU 54 -0.969 6.237 -6.522 397 H ALA 55 H ALA 55 -2.468 4.916 -2.204 398 HA ALA 55 HA ALA 55 -2.516 6.967 -0.269 399 HB1 ALA 55 1HB ALA 55 -4.374 5.547 0.693 400 HB2 ALA 55 2HB ALA 55 -4.505 5.759 -1.069 401 HB3 ALA 55 3HB ALA 55 -3.902 4.225 -0.404 402 H HIS 56 H HIS 56 -1.370 3.657 -0.104 403 HA HIS 56 HA HIS 56 -0.665 3.754 2.733 404 HB2 HIS 56 2HB HIS 56 -0.354 1.560 0.647 405 HB3 HIS 56 3HB HIS 56 -0.103 1.407 2.345 406 HD2 HIS 56 2HD HIS 56 -2.506 -0.169 0.709 407 HE1 HIS 56 1HE HIS 56 -5.217 2.378 2.812 408 HE2 HIS 56 2HE HIS 56 -5.012 0.230 1.466 409 H LYS 57 H LYS 57 0.935 3.900 -0.405 410 HA LYS 57 HA LYS 57 3.531 3.646 0.195 411 HB2 LYS 57 2HB LYS 57 2.063 4.186 -1.953 412 HB3 LYS 57 3HB LYS 57 2.520 5.764 -1.784 413 HG2 LYS 57 2HG LYS 57 4.957 4.786 -1.680 414 HG3 LYS 57 3HG LYS 57 4.141 3.228 -1.954 415 HD2 LYS 57 2HD LYS 57 5.162 4.103 -4.033 416 HD3 LYS 57 3HD LYS 57 3.393 4.004 -4.150 417 HE2 LYS 57 2HE LYS 57 3.118 6.326 -3.783 418 HE3 LYS 57 3HE LYS 57 4.861 6.585 -3.567 419 HZ1 LYS 57 3HZ LYS 57 5.112 6.575 -5.829 420 HZ2 LYS 57 1HZ LYS 57 3.453 6.737 -5.854 421 HZ3 LYS 57 2HZ LYS 57 4.135 5.261 -6.044 422 H GLU 58 H GLU 58 1.736 6.679 0.300 423 HA GLU 58 HA GLU 58 3.715 8.354 1.456 424 HB2 GLU 58 2HB GLU 58 2.481 9.854 2.206 425 HB3 GLU 58 3HB GLU 58 1.743 9.230 0.733 426 HG2 GLU 58 2HG GLU 58 0.114 9.632 1.985 427 HG3 GLU 58 3HG GLU 58 0.197 7.908 2.329 428 H CYS 59 H CYS 59 1.577 6.251 3.231 429 HA CYS 59 HA CYS 59 2.578 6.750 5.788 430 HB2 CYS 59 2HB CYS 59 0.465 5.598 5.066 431 HB3 CYS 59 3HB CYS 59 1.325 4.086 4.839 432 H MET 60 H MET 60 3.776 4.415 3.365 433 HA MET 60 HA MET 60 5.953 3.385 5.028 434 HB2 MET 60 2HB MET 60 5.333 3.297 2.059 435 HB3 MET 60 3HB MET 60 6.890 2.759 2.699 436 HG2 MET 60 2HG MET 60 5.714 1.231 4.265 437 HG3 MET 60 3HG MET 60 4.151 1.783 3.656 438 HE1 MET 60 3HE MET 60 3.541 -0.776 3.544 439 HE2 MET 60 1HE MET 60 4.424 -1.974 2.567 440 HE3 MET 60 2HE MET 60 5.191 -1.261 4.009 441 H ARG 61 H ARG 61 5.751 6.124 2.722 442 HA ARG 61 HA ARG 61 8.523 6.907 2.832 443 HB2 ARG 61 2HB ARG 61 6.739 7.834 1.258 444 HB3 ARG 61 3HB ARG 61 6.041 8.700 2.619 445 HG2 ARG 61 2HG ARG 61 8.125 9.980 2.935 446 HG3 ARG 61 3HG ARG 61 8.830 9.133 1.548 447 HD2 ARG 61 2HD ARG 61 7.071 10.089 0.084 448 HD3 ARG 61 3HD ARG 61 6.282 10.838 1.477 449 HE ARG 61 HE ARG 61 8.863 11.601 0.204 450 HH11 ARG 61 1HH1 ARG 61 6.182 12.687 2.172 451 HH12 ARG 61 2HH1 ARG 61 6.858 14.267 2.356 452 HH21 ARG 61 1HH2 ARG 61 9.766 13.548 0.636 453 HH22 ARG 61 2HH2 ARG 61 8.932 14.675 1.677 454 H ALA 62 H ALA 62 5.909 7.739 5.020 455 HA ALA 62 HA ALA 62 7.201 9.586 6.637 456 HB1 ALA 62 1HB ALA 62 5.582 9.014 8.367 457 HB2 ALA 62 2HB ALA 62 4.814 8.933 6.770 458 HB3 ALA 62 3HB ALA 62 5.280 7.435 7.607 459 H LEU 63 H LEU 63 7.986 6.182 6.660 460 HA LEU 63 HA LEU 63 9.576 6.008 9.068 461 HB2 LEU 63 2HB LEU 63 9.476 4.576 6.387 462 HB3 LEU 63 3HB LEU 63 10.671 4.158 7.536 463 HG LEU 63 HG LEU 63 8.442 2.808 7.270 464 HD11 LEU 63 1HD1 LEU 63 8.832 1.900 9.519 465 HD12 LEU 63 2HD1 LEU 63 9.726 3.371 9.972 466 HD13 LEU 63 3HD1 LEU 63 10.366 2.281 8.722 467 HD21 LEU 63 3HD2 LEU 63 7.593 4.711 9.487 468 HD22 LEU 63 1HD2 LEU 63 6.834 3.157 9.108 469 HD23 LEU 63 2HD2 LEU 63 6.778 4.466 7.922 470 H GLY 64 H GLY 64 10.116 7.825 6.225 471 HA2 GLY 64 1HA GLY 64 11.909 8.807 5.253 472 HA3 GLY 64 2HA GLY 64 12.993 8.252 6.566 473 H PHE 65 H PHE 65 10.956 6.003 4.863 474 HA PHE 65 HA PHE 65 13.043 4.729 3.227 475 HB2 PHE 65 2HB PHE 65 10.009 4.644 3.118 476 HB3 PHE 65 3HB PHE 65 11.038 3.594 2.203 477 HD1 PHE 65 1HD PHE 65 12.872 3.447 5.101 478 HD2 PHE 65 2HD PHE 65 8.940 2.438 3.644 479 HE1 PHE 65 1HE PHE 65 12.712 1.637 6.776 480 HE2 PHE 65 2HE PHE 65 8.769 0.643 5.340 481 HZ PHE 65 HZ PHE 65 10.673 0.222 6.898 482 H LYS 66 H LYS 66 12.009 4.568 0.769 483 HA LYS 66 HA LYS 66 12.663 7.282 -0.298 484 HB2 LYS 66 2HB LYS 66 14.256 6.223 -1.677 485 HB3 LYS 66 3HB LYS 66 14.626 6.248 0.062 486 HG2 LYS 66 2HG LYS 66 14.040 3.909 0.351 487 HG3 LYS 66 3HG LYS 66 13.270 3.875 -1.264 488 HD2 LYS 66 2HD LYS 66 15.436 4.485 -2.240 489 HD3 LYS 66 3HD LYS 66 16.115 4.548 -0.584 490 HE2 LYS 66 2HE LYS 66 15.459 2.051 -0.403 491 HE3 LYS 66 3HE LYS 66 15.207 2.079 -2.160 492 HZ1 LYS 66 3HZ LYS 66 17.759 2.787 -0.802 493 HZ2 LYS 66 1HZ LYS 66 17.542 2.740 -2.404 494 HZ3 LYS 66 2HZ LYS 66 17.471 1.338 -1.540 495 H ILE 67 H ILE 67 10.463 6.729 -0.339 496 HA ILE 67 HA ILE 67 9.123 5.758 -2.805 497 HB ILE 67 HB ILE 67 8.243 7.063 -0.184 498 HG12 ILE 67 2HG1 ILE 67 6.881 5.003 0.143 499 HG13 ILE 67 3HG1 ILE 67 7.550 4.307 -1.330 500 HG21 ILE 67 1HG2 ILE 67 5.899 6.718 -0.918 501 HG22 ILE 67 2HG2 ILE 67 6.763 7.932 -1.865 502 HG23 ILE 67 3HG2 ILE 67 6.547 6.300 -2.552 503 HD11 ILE 67 3HD1 ILE 67 9.719 4.067 -0.287 504 HD12 ILE 67 1HD1 ILE 67 9.209 5.096 1.081 505 HD13 ILE 67 2HD1 ILE 67 8.508 3.480 0.859 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 14.476 -60.505 -13.712 2 H2 GLY 1 H2 GLY 1 15.674 -60.589 -12.587 3 H3 GLY 1 H3 GLY 1 15.460 -59.220 -13.442 4 HA2 GLY 1 2HA GLY 1 13.605 -60.324 -11.441 5 HA3 GLY 1 1HA GLY 1 14.591 -58.851 -11.280 6 H SER 2 H SER 2 12.329 -57.930 -10.855 7 HA SER 2 HA SER 2 10.847 -57.187 -13.336 8 HB2 SER 2 2HB SER 2 10.599 -56.347 -10.404 9 HB3 SER 2 3HB SER 2 9.676 -55.602 -11.731 10 HG SER 2 HG SER 2 9.615 -58.357 -10.970 11 H PHE 3 H PHE 3 10.764 -54.885 -13.983 12 HA PHE 3 HA PHE 3 13.421 -53.741 -14.206 13 HB2 PHE 3 2HB PHE 3 11.352 -53.627 -15.775 14 HB3 PHE 3 3HB PHE 3 10.776 -52.293 -14.834 15 HD1 PHE 3 2HD PHE 3 13.292 -53.508 -17.253 16 HD2 PHE 3 1HD PHE 3 12.030 -50.120 -14.917 17 HE1 PHE 3 2HE PHE 3 14.719 -52.019 -18.631 18 HE2 PHE 3 1HE PHE 3 13.434 -48.641 -16.325 19 HZ PHE 3 HZ PHE 3 14.791 -49.577 -18.178 20 H THR 4 H THR 4 10.815 -53.124 -11.916 21 HA THR 4 HA THR 4 12.449 -51.796 -9.954 22 HB THR 4 HB THR 4 12.372 -49.820 -11.458 23 HG1 THR 4 1HG THR 4 11.758 -48.469 -9.898 24 HG21 THR 4 1HG2 THR 4 9.323 -49.850 -11.180 25 HG22 THR 4 2HG2 THR 4 10.225 -50.149 -12.650 26 HG23 THR 4 3HG2 THR 4 10.310 -48.572 -11.886 27 H MET 5 H MET 5 10.767 -50.771 -8.280 28 HA MET 5 HA MET 5 8.216 -52.174 -8.080 29 HB2 MET 5 2HB MET 5 10.021 -53.868 -7.533 30 HB3 MET 5 3HB MET 5 10.432 -52.909 -6.099 31 HG2 MET 5 2HG MET 5 8.114 -53.275 -5.252 32 HG3 MET 5 3HG MET 5 7.710 -54.158 -6.714 33 HE1 MET 5 3HE MET 5 7.773 -56.909 -3.909 34 HE2 MET 5 1HE MET 5 7.128 -55.267 -3.901 35 HE3 MET 5 2HE MET 5 6.864 -56.322 -5.301 36 HA PRO 6 HA PRO 6 8.378 -48.199 -5.394 37 HB2 PRO 6 2HB PRO 6 6.349 -46.873 -6.635 38 HB3 PRO 6 3HB PRO 6 8.055 -46.734 -7.097 39 HG2 PRO 6 2HG PRO 6 5.925 -48.440 -8.389 40 HG3 PRO 6 3HG PRO 6 7.135 -47.390 -9.184 41 HD2 PRO 6 2HD PRO 6 7.479 -50.096 -8.950 42 HD3 PRO 6 3HD PRO 6 8.859 -48.947 -8.817 43 H GLY 7 H GLY 7 5.449 -49.717 -6.826 44 HA2 GLY 7 1HA GLY 7 3.542 -50.621 -5.906 45 HA3 GLY 7 2HA GLY 7 4.372 -50.713 -4.344 46 H LEU 8 H LEU 8 4.857 -48.039 -3.778 47 HA LEU 8 HA LEU 8 2.456 -46.421 -4.169 48 HB2 LEU 8 2HB LEU 8 1.919 -46.093 -1.920 49 HB3 LEU 8 3HB LEU 8 1.985 -47.827 -2.132 50 HG LEU 8 HG LEU 8 4.130 -46.113 -0.784 51 HD11 LEU 8 1HD1 LEU 8 3.305 -47.048 1.300 52 HD12 LEU 8 2HD1 LEU 8 2.107 -48.043 0.445 53 HD13 LEU 8 3HD1 LEU 8 1.962 -46.271 0.463 54 HD21 LEU 8 3HD2 LEU 8 4.985 -48.289 0.099 55 HD22 LEU 8 1HD2 LEU 8 5.184 -48.132 -1.641 56 HD23 LEU 8 2HD2 LEU 8 3.873 -49.150 -0.991 57 H VAL 9 H VAL 9 2.975 -44.296 -2.631 58 HA VAL 9 HA VAL 9 5.783 -43.464 -3.201 59 HB VAL 9 HB VAL 9 4.130 -42.777 -4.961 60 HG11 VAL 9 1HG1 VAL 9 3.007 -40.845 -2.892 61 HG12 VAL 9 2HG1 VAL 9 2.597 -40.928 -4.611 62 HG13 VAL 9 3HG1 VAL 9 2.169 -42.267 -3.542 63 HG21 VAL 9 3HG2 VAL 9 5.407 -40.366 -3.638 64 HG22 VAL 9 1HG2 VAL 9 6.270 -41.571 -4.619 65 HG23 VAL 9 2HG2 VAL 9 4.983 -40.595 -5.344 66 H ASP 10 H ASP 10 4.300 -44.302 -0.746 67 HA ASP 10 HA ASP 10 4.457 -41.894 0.985 68 HB2 ASP 10 2HB ASP 10 2.125 -42.597 0.085 69 HB3 ASP 10 3HB ASP 10 2.303 -44.013 1.131 70 H SER 11 H SER 11 4.443 -42.644 3.390 71 HA SER 11 HA SER 11 5.928 -45.183 3.799 72 HB2 SER 11 2HB SER 11 7.579 -43.712 2.692 73 HB3 SER 11 3HB SER 11 7.373 -42.514 3.977 74 HG SER 11 HG SER 11 8.363 -45.181 4.194 75 H ASN 12 H ASN 12 5.216 -41.965 5.301 76 HA ASN 12 HA ASN 12 4.614 -43.241 7.860 77 HB2 ASN 12 2HB ASN 12 7.299 -42.425 7.314 78 HB3 ASN 12 3HB ASN 12 6.661 -41.277 8.467 79 HD21 ASN 12 1HD2 ASN 12 6.194 -44.837 7.934 80 HD22 ASN 12 2HD2 ASN 12 6.573 -45.215 9.617 81 HA PRO 13 HA PRO 13 1.814 -40.200 8.209 82 HB2 PRO 13 2HB PRO 13 1.469 -39.735 10.880 83 HB3 PRO 13 3HB PRO 13 1.229 -41.333 10.119 84 HG2 PRO 13 2HG PRO 13 3.553 -40.373 11.757 85 HG3 PRO 13 3HG PRO 13 2.835 -42.006 11.669 86 HD2 PRO 13 2HD PRO 13 5.123 -41.041 10.294 87 HD3 PRO 13 3HD PRO 13 4.303 -42.568 9.914 88 H ALA 14 H ALA 14 2.059 -38.288 7.261 89 HA ALA 14 HA ALA 14 3.389 -36.031 8.696 90 HB1 ALA 14 1HB ALA 14 4.614 -35.544 6.620 91 HB2 ALA 14 2HB ALA 14 5.008 -37.151 7.275 92 HB3 ALA 14 3HB ALA 14 3.928 -37.008 5.871 93 HA PRO 15 HA PRO 15 -0.496 -34.298 6.853 94 HB2 PRO 15 2HB PRO 15 -1.538 -33.172 9.118 95 HB3 PRO 15 3HB PRO 15 -1.782 -34.896 8.705 96 HG2 PRO 15 2HG PRO 15 0.276 -33.700 10.577 97 HG3 PRO 15 3HG PRO 15 -0.813 -35.088 10.879 98 HD2 PRO 15 2HD PRO 15 1.786 -35.380 10.067 99 HD3 PRO 15 3HD PRO 15 0.500 -36.522 9.573 100 HA PRO 16 HA PRO 16 1.552 -30.340 6.694 101 HB2 PRO 16 2HB PRO 16 -0.331 -28.678 5.621 102 HB3 PRO 16 3HB PRO 16 0.254 -30.141 4.770 103 HG2 PRO 16 2HG PRO 16 -2.235 -29.912 6.507 104 HG3 PRO 16 3HG PRO 16 -2.138 -30.489 4.810 105 HD2 PRO 16 2HD PRO 16 -2.066 -32.204 6.938 106 HD3 PRO 16 3HD PRO 16 -1.110 -32.505 5.456 107 H GLU 17 H GLU 17 0.501 -31.018 9.301 108 HA GLU 17 HA GLU 17 -0.529 -28.671 10.621 109 HB2 GLU 17 2HB GLU 17 -0.434 -29.886 12.520 110 HB3 GLU 17 3HB GLU 17 -0.849 -31.086 11.316 111 HG2 GLU 17 2HG GLU 17 1.481 -31.880 11.352 112 HG3 GLU 17 3HG GLU 17 1.913 -30.622 12.507 113 H SER 18 H SER 18 2.584 -29.614 9.582 114 HA SER 18 HA SER 18 3.991 -28.199 11.763 115 HB2 SER 18 2HB SER 18 4.203 -30.697 10.711 116 HB3 SER 18 3HB SER 18 5.470 -29.923 9.810 117 HG SER 18 HG SER 18 6.267 -29.064 11.791 118 H GLN 19 H GLN 19 2.991 -26.867 9.168 119 HA GLN 19 HA GLN 19 5.612 -26.023 8.038 120 HB2 GLN 19 2HB GLN 19 4.821 -27.360 6.405 121 HB3 GLN 19 3HB GLN 19 3.138 -27.086 6.807 122 HG2 GLN 19 2HG GLN 19 3.289 -24.801 5.743 123 HG3 GLN 19 3HG GLN 19 5.006 -25.079 5.412 124 HE21 GLN 19 1HE2 GLN 19 5.369 -27.293 4.020 125 HE22 GLN 19 2HE2 GLN 19 4.221 -27.373 2.687 126 H GLU 20 H GLU 20 5.877 -23.876 7.483 127 HA GLU 20 HA GLU 20 4.116 -22.028 9.012 128 HB2 GLU 20 2HB GLU 20 5.894 -23.160 10.341 129 HB3 GLU 20 3HB GLU 20 7.115 -22.549 9.231 130 HG2 GLU 20 2HG GLU 20 7.054 -21.208 11.274 131 HG3 GLU 20 3HG GLU 20 6.624 -20.231 9.898 132 H LYS 21 H LYS 21 4.499 -19.795 8.744 133 HA LYS 21 HA LYS 21 5.610 -18.989 6.072 134 HB2 LYS 21 2HB LYS 21 2.905 -18.176 7.201 135 HB3 LYS 21 3HB LYS 21 3.587 -17.720 5.627 136 HG2 LYS 21 2HG LYS 21 3.607 -20.158 4.979 137 HG3 LYS 21 3HG LYS 21 2.790 -20.531 6.511 138 HD2 LYS 21 2HD LYS 21 0.932 -18.968 5.819 139 HD3 LYS 21 3HD LYS 21 1.702 -18.837 4.226 140 HE2 LYS 21 2HE LYS 21 1.537 -21.328 3.974 141 HE3 LYS 21 3HE LYS 21 0.828 -21.434 5.590 142 HZ1 LYS 21 3HZ LYS 21 -0.996 -19.931 4.619 143 HZ2 LYS 21 1HZ LYS 21 -0.940 -21.498 4.136 144 HZ3 LYS 21 2HZ LYS 21 -0.425 -20.409 3.114 145 H LYS 22 H LYS 22 6.984 -18.597 8.410 146 HA LYS 22 HA LYS 22 8.113 -17.096 9.717 147 HB2 LYS 22 2HB LYS 22 8.902 -16.736 7.333 148 HB3 LYS 22 3HB LYS 22 7.916 -15.277 7.302 149 HG2 LYS 22 2HG LYS 22 9.253 -14.482 9.357 150 HG3 LYS 22 3HG LYS 22 10.279 -15.907 9.133 151 HD2 LYS 22 2HD LYS 22 10.806 -15.100 6.806 152 HD3 LYS 22 3HD LYS 22 9.834 -13.644 7.130 153 HE2 LYS 22 2HE LYS 22 11.352 -13.149 9.093 154 HE3 LYS 22 3HE LYS 22 12.320 -14.551 8.649 155 HZ1 LYS 22 3HZ LYS 22 12.701 -13.461 6.464 156 HZ2 LYS 22 1HZ LYS 22 13.329 -12.587 7.701 157 HZ3 LYS 22 2HZ LYS 22 11.947 -12.095 7.012 158 HA PRO 23 HA PRO 23 4.250 -14.642 10.742 159 HB2 PRO 23 2HB PRO 23 3.635 -15.647 13.216 160 HB3 PRO 23 3HB PRO 23 3.185 -16.432 11.672 161 HG2 PRO 23 2HG PRO 23 5.589 -17.043 13.423 162 HG3 PRO 23 3HG PRO 23 4.394 -18.190 12.730 163 HD2 PRO 23 2HD PRO 23 6.790 -17.726 11.526 164 HD3 PRO 23 3HD PRO 23 5.303 -17.957 10.564 165 H LEU 24 H LEU 24 5.537 -12.803 10.730 166 HA LEU 24 HA LEU 24 6.100 -11.639 13.414 167 HB2 LEU 24 2HB LEU 24 7.981 -11.830 11.040 168 HB3 LEU 24 3HB LEU 24 7.952 -10.349 11.956 169 HG LEU 24 HG LEU 24 8.295 -11.885 14.069 170 HD11 LEU 24 1HD1 LEU 24 9.767 -13.803 13.617 171 HD12 LEU 24 2HD1 LEU 24 9.575 -13.574 11.866 172 HD13 LEU 24 3HD1 LEU 24 8.202 -14.088 12.855 173 HD21 LEU 24 3HD2 LEU 24 10.715 -11.590 13.800 174 HD22 LEU 24 1HD2 LEU 24 9.868 -10.165 13.207 175 HD23 LEU 24 2HD2 LEU 24 10.518 -11.350 12.053 176 H LYS 25 H LYS 25 6.334 -9.177 13.197 177 HA LYS 25 HA LYS 25 4.769 -7.947 11.013 178 HB2 LYS 25 2HB LYS 25 3.593 -6.476 12.623 179 HB3 LYS 25 3HB LYS 25 3.145 -8.171 12.823 180 HG2 LYS 25 2HG LYS 25 4.616 -8.374 14.782 181 HG3 LYS 25 3HG LYS 25 5.168 -6.711 14.594 182 HD2 LYS 25 2HD LYS 25 2.273 -7.458 15.141 183 HD3 LYS 25 3HD LYS 25 3.477 -7.112 16.391 184 HE2 LYS 25 2HE LYS 25 3.869 -4.856 15.272 185 HE3 LYS 25 3HE LYS 25 2.442 -5.192 14.264 186 HZ1 LYS 25 3HZ LYS 25 1.159 -5.418 16.349 187 HZ2 LYS 25 1HZ LYS 25 1.829 -3.923 16.271 188 HZ3 LYS 25 2HZ LYS 25 2.518 -5.031 17.233 189 HA PRO 26 HA PRO 26 8.332 -5.256 11.247 190 HB2 PRO 26 2HB PRO 26 7.477 -2.970 10.015 191 HB3 PRO 26 3HB PRO 26 7.824 -4.473 9.126 192 HG2 PRO 26 2HG PRO 26 5.126 -3.461 10.062 193 HG3 PRO 26 3HG PRO 26 5.566 -4.106 8.448 194 HD2 PRO 26 2HD PRO 26 4.358 -5.650 10.358 195 HD3 PRO 26 3HD PRO 26 5.592 -6.330 9.245 196 H CYS 27 H CYS 27 9.112 -3.534 12.544 197 HA CYS 27 HA CYS 27 7.627 -2.614 14.814 198 HB2 CYS 27 2HB CYS 27 10.167 -1.583 13.473 199 HB3 CYS 27 3HB CYS 27 9.526 -0.964 15.003 200 HG CYS 27 HG CYS 27 10.197 -4.153 14.320 201 H CYS 28 H CYS 28 5.725 -1.684 14.366 202 HA CYS 28 HA CYS 28 4.112 -0.248 13.800 203 HB2 CYS 28 2HB CYS 28 6.308 1.796 14.251 204 HB3 CYS 28 3HB CYS 28 4.560 2.059 14.382 205 HG CYS 28 HG CYS 28 4.861 1.835 16.760 206 H ALA 29 H ALA 29 6.192 -0.726 11.340 207 HA ALA 29 HA ALA 29 5.758 1.466 9.640 208 HB1 ALA 29 1HB ALA 29 6.636 0.075 7.891 209 HB2 ALA 29 2HB ALA 29 7.565 -0.228 9.388 210 HB3 ALA 29 3HB ALA 29 6.335 -1.394 8.820 211 H CYS 30 H CYS 30 3.387 1.692 10.134 212 HA CYS 30 HA CYS 30 1.172 1.611 9.548 213 HB2 CYS 30 2HB CYS 30 2.532 1.475 6.898 214 HB3 CYS 30 3HB CYS 30 0.917 2.072 7.188 215 HA PRO 31 HA PRO 31 0.939 -3.243 8.544 216 HB2 PRO 31 2HB PRO 31 -0.732 -3.484 10.810 217 HB3 PRO 31 3HB PRO 31 0.922 -4.095 10.614 218 HG2 PRO 31 2HG PRO 31 -0.108 -1.569 11.945 219 HG3 PRO 31 3HG PRO 31 1.334 -2.530 12.395 220 HD2 PRO 31 2HD PRO 31 1.561 -0.123 11.052 221 HD3 PRO 31 3HD PRO 31 2.640 -1.504 10.725 222 H GLU 32 H GLU 32 -1.679 -1.110 9.885 223 HA GLU 32 HA GLU 32 -3.707 -2.432 8.465 224 HB2 GLU 32 2HB GLU 32 -4.698 -0.015 8.063 225 HB3 GLU 32 3HB GLU 32 -4.693 -0.726 9.628 226 HG2 GLU 32 2HG GLU 32 -2.896 0.679 10.407 227 HG3 GLU 32 3HG GLU 32 -2.464 1.141 8.760 228 H THR 33 H THR 33 -1.765 0.264 7.222 229 HA THR 33 HA THR 33 -3.202 0.324 4.867 230 HB THR 33 HB THR 33 -1.448 1.814 3.984 231 HG1 THR 33 1HG THR 33 0.149 0.851 6.062 232 HG21 THR 33 1HG2 THR 33 -2.924 2.685 5.834 233 HG22 THR 33 2HG2 THR 33 -1.397 3.525 5.582 234 HG23 THR 33 3HG2 THR 33 -1.568 2.398 6.948 235 H LYS 34 H LYS 34 -0.056 -1.111 5.515 236 HA LYS 34 HA LYS 34 0.759 -2.203 3.025 237 HB2 LYS 34 2HB LYS 34 2.111 -1.752 5.033 238 HB3 LYS 34 3HB LYS 34 1.154 -2.813 6.009 239 HG2 LYS 34 2HG LYS 34 3.109 -3.746 3.884 240 HG3 LYS 34 3HG LYS 34 3.281 -3.619 5.651 241 HD2 LYS 34 2HD LYS 34 1.343 -5.233 5.868 242 HD3 LYS 34 3HD LYS 34 1.664 -5.675 4.173 243 HE2 LYS 34 2HE LYS 34 3.750 -5.611 6.399 244 HE3 LYS 34 3HE LYS 34 2.726 -7.027 6.056 245 HZ1 LYS 34 3HZ LYS 34 5.071 -6.802 4.957 246 HZ2 LYS 34 1HZ LYS 34 4.306 -5.892 3.837 247 HZ3 LYS 34 2HZ LYS 34 3.778 -7.416 4.100 248 H LYS 35 H LYS 35 -0.530 -3.887 5.780 249 HA LYS 35 HA LYS 35 -1.140 -6.423 4.681 250 HB2 LYS 35 2HB LYS 35 -0.941 -5.454 7.022 251 HB3 LYS 35 3HB LYS 35 -2.518 -4.845 6.935 252 HG2 LYS 35 2HG LYS 35 -2.468 -6.837 8.274 253 HG3 LYS 35 3HG LYS 35 -3.394 -7.125 6.852 254 HD2 LYS 35 2HD LYS 35 -2.164 -9.069 7.353 255 HD3 LYS 35 3HD LYS 35 -1.531 -8.400 5.821 256 HE2 LYS 35 2HE LYS 35 0.390 -7.577 6.838 257 HE3 LYS 35 3HE LYS 35 -0.471 -7.460 8.399 258 HZ1 LYS 35 3HZ LYS 35 -0.251 -9.812 8.721 259 HZ2 LYS 35 1HZ LYS 35 1.223 -9.353 8.275 260 HZ3 LYS 35 2HZ LYS 35 0.253 -10.086 7.166 261 H ALA 36 H ALA 36 -3.234 -3.617 4.953 262 HA ALA 36 HA ALA 36 -5.435 -4.735 3.402 263 HB1 ALA 36 1HB ALA 36 -5.763 -2.849 4.962 264 HB2 ALA 36 2HB ALA 36 -4.837 -1.793 3.865 265 HB3 ALA 36 3HB ALA 36 -6.369 -2.502 3.335 266 H ARG 37 H ARG 37 -2.690 -2.664 2.300 267 HA ARG 37 HA ARG 37 -3.218 -2.317 -0.491 268 HB2 ARG 37 2HB ARG 37 -0.890 -1.991 0.999 269 HB3 ARG 37 3HB ARG 37 -0.475 -3.479 0.365 270 HG2 ARG 37 2HG ARG 37 -1.622 -1.820 -1.733 271 HG3 ARG 37 3HG ARG 37 -0.284 -1.044 -0.904 272 HD2 ARG 37 2HD ARG 37 0.265 -2.239 -3.030 273 HD3 ARG 37 3HD ARG 37 1.147 -2.553 -1.556 274 HE ARG 37 HE ARG 37 -0.201 -4.651 -1.348 275 HH11 ARG 37 1HH1 ARG 37 1.642 -3.273 -4.035 276 HH12 ARG 37 2HH1 ARG 37 2.754 -4.597 -4.122 277 HH21 ARG 37 1HH2 ARG 37 1.377 -6.418 -1.624 278 HH22 ARG 37 2HH2 ARG 37 2.456 -6.348 -2.993 279 H ASP 38 H ASP 38 -1.675 -4.959 1.192 280 HA ASP 38 HA ASP 38 -1.184 -6.543 -0.985 281 HB2 ASP 38 2HB ASP 38 -1.409 -6.798 2.005 282 HB3 ASP 38 3HB ASP 38 -1.297 -8.339 1.118 283 H ALA 39 H ALA 39 -4.028 -6.544 1.224 284 HA ALA 39 HA ALA 39 -5.486 -8.714 0.173 285 HB1 ALA 39 1HB ALA 39 -6.595 -6.101 1.283 286 HB2 ALA 39 2HB ALA 39 -7.378 -7.686 1.306 287 HB3 ALA 39 3HB ALA 39 -5.932 -7.406 2.308 288 H CYS 40 H CYS 40 -5.659 -5.208 -0.960 289 HA CYS 40 HA CYS 40 -7.592 -5.829 -3.015 290 HB2 CYS 40 2HB CYS 40 -6.911 -3.646 -2.014 291 HB3 CYS 40 3HB CYS 40 -5.399 -3.754 -2.849 292 H ILE 41 H ILE 41 -4.039 -5.700 -2.978 293 HA ILE 41 HA ILE 41 -3.602 -6.211 -5.748 294 HB ILE 41 HB ILE 41 -1.874 -6.342 -3.290 295 HG12 ILE 41 2HG1 ILE 41 -0.641 -4.649 -4.797 296 HG13 ILE 41 3HG1 ILE 41 -1.933 -4.671 -5.839 297 HG21 ILE 41 1HG2 ILE 41 0.103 -6.806 -4.758 298 HG22 ILE 41 2HG2 ILE 41 -0.974 -8.191 -4.581 299 HG23 ILE 41 3HG2 ILE 41 -1.012 -7.226 -6.079 300 HD11 ILE 41 3HD1 ILE 41 -3.418 -3.842 -3.985 301 HD12 ILE 41 1HD1 ILE 41 -1.955 -3.660 -3.048 302 HD13 ILE 41 2HD1 ILE 41 -2.110 -2.749 -4.524 303 H ILE 42 H ILE 42 -4.042 -8.504 -3.115 304 HA ILE 42 HA ILE 42 -3.566 -10.996 -4.396 305 HB ILE 42 HB ILE 42 -5.514 -10.039 -2.248 306 HG12 ILE 42 2HG1 ILE 42 -3.085 -11.916 -2.200 307 HG13 ILE 42 3HG1 ILE 42 -2.955 -10.216 -1.843 308 HG21 ILE 42 1HG2 ILE 42 -5.349 -12.876 -3.275 309 HG22 ILE 42 2HG2 ILE 42 -6.059 -12.403 -1.715 310 HG23 ILE 42 3HG2 ILE 42 -6.765 -11.777 -3.191 311 HD11 ILE 42 3HD1 ILE 42 -4.546 -10.614 0.122 312 HD12 ILE 42 1HD1 ILE 42 -4.380 -12.352 -0.206 313 HD13 ILE 42 2HD1 ILE 42 -2.960 -11.398 0.230 314 H GLU 43 H GLU 43 -6.480 -8.958 -4.368 315 HA GLU 43 HA GLU 43 -8.086 -10.969 -5.654 316 HB2 GLU 43 2HB GLU 43 -8.272 -9.108 -3.696 317 HB3 GLU 43 3HB GLU 43 -8.875 -8.131 -4.972 318 HG2 GLU 43 2HG GLU 43 -9.978 -10.863 -4.230 319 HG3 GLU 43 3HG GLU 43 -10.316 -9.357 -3.402 320 H LYS 44 H LYS 44 -7.241 -7.559 -6.395 321 HA LYS 44 HA LYS 44 -7.965 -7.974 -9.285 322 HB2 LYS 44 2HB LYS 44 -7.557 -5.365 -7.790 323 HB3 LYS 44 3HB LYS 44 -8.250 -5.620 -9.395 324 HG2 LYS 44 2HG LYS 44 -9.513 -6.417 -6.745 325 HG3 LYS 44 3HG LYS 44 -10.034 -5.151 -7.861 326 HD2 LYS 44 2HD LYS 44 -10.357 -6.929 -9.626 327 HD3 LYS 44 3HD LYS 44 -9.945 -8.136 -8.393 328 HE2 LYS 44 2HE LYS 44 -11.876 -6.951 -7.022 329 HE3 LYS 44 3HE LYS 44 -12.444 -6.445 -8.622 330 HZ1 LYS 44 3HZ LYS 44 -12.570 -8.848 -9.209 331 HZ2 LYS 44 1HZ LYS 44 -13.351 -8.598 -7.770 332 HZ3 LYS 44 2HZ LYS 44 -11.871 -9.230 -7.747 333 H GLY 45 H GLY 45 -5.236 -7.082 -7.333 334 HA2 GLY 45 1HA GLY 45 -2.949 -7.269 -8.224 335 HA3 GLY 45 2HA GLY 45 -3.552 -6.960 -9.833 336 H GLU 46 H GLU 46 -1.387 -5.556 -8.993 337 HA GLU 46 HA GLU 46 -1.787 -3.157 -7.475 338 HB2 GLU 46 2HB GLU 46 0.316 -4.172 -9.439 339 HB3 GLU 46 3HB GLU 46 0.428 -2.569 -8.710 340 HG2 GLU 46 2HG GLU 46 0.485 -3.505 -6.467 341 HG3 GLU 46 3HG GLU 46 0.168 -5.127 -7.081 342 H GLU 47 H GLU 47 -2.054 -3.928 -10.936 343 HA GLU 47 HA GLU 47 -2.296 -1.291 -11.819 344 HB2 GLU 47 2HB GLU 47 -3.085 -2.327 -13.931 345 HB3 GLU 47 3HB GLU 47 -1.618 -2.985 -13.219 346 HG2 GLU 47 2HG GLU 47 -3.111 -4.871 -12.242 347 HG3 GLU 47 3HG GLU 47 -4.354 -4.266 -13.329 348 H HIS 48 H HIS 48 -4.516 -2.919 -9.916 349 HA HIS 48 HA HIS 48 -6.837 -1.188 -10.657 350 HB2 HIS 48 2HB HIS 48 -6.546 -4.065 -9.742 351 HB3 HIS 48 3HB HIS 48 -8.073 -3.246 -9.634 352 HD2 HIS 48 2HD HIS 48 -6.145 -5.382 -11.829 353 HE1 HIS 48 1HE HIS 48 -8.858 -3.449 -14.513 354 HE2 HIS 48 2HE HIS 48 -7.302 -5.441 -14.220 355 H CYS 49 H CYS 49 -4.394 -1.759 -8.505 356 HA CYS 49 HA CYS 49 -5.729 -0.664 -6.111 357 HB2 CYS 49 2HB CYS 49 -3.837 -3.011 -6.390 358 HB3 CYS 49 3HB CYS 49 -4.373 -2.375 -4.982 359 H GLY 50 H GLY 50 -3.726 0.564 -8.178 360 HA2 GLY 50 1HA GLY 50 -1.442 0.924 -6.332 361 HA3 GLY 50 2HA GLY 50 -1.332 1.308 -7.965 362 H HIS 51 H HIS 51 -4.301 2.624 -6.891 363 HA HIS 51 HA HIS 51 -3.264 4.951 -5.420 364 HB2 HIS 51 2HB HIS 51 -5.624 5.155 -4.712 365 HB3 HIS 51 3HB HIS 51 -5.562 4.873 -6.460 366 HD2 HIS 51 2HD HIS 51 -7.586 3.811 -3.623 367 HE1 HIS 51 1HE HIS 51 -7.660 0.392 -6.139 368 HE2 HIS 51 2HE HIS 51 -8.784 1.553 -4.180 369 H LEU 52 H LEU 52 -4.478 1.640 -4.651 370 HA LEU 52 HA LEU 52 -3.816 1.863 -1.837 371 HB2 LEU 52 2HB LEU 52 -4.569 -0.431 -3.704 372 HB3 LEU 52 3HB LEU 52 -3.708 -0.936 -2.426 373 HG LEU 52 HG LEU 52 -6.484 -0.420 -2.722 374 HD11 LEU 52 1HD1 LEU 52 -5.025 -0.883 -0.075 375 HD12 LEU 52 2HD1 LEU 52 -5.391 -2.158 -1.236 376 HD13 LEU 52 3HD1 LEU 52 -6.716 -1.292 -0.440 377 HD21 LEU 52 3HD2 LEU 52 -5.459 1.426 -0.579 378 HD22 LEU 52 1HD2 LEU 52 -7.152 1.059 -0.992 379 HD23 LEU 52 2HD2 LEU 52 -6.093 1.947 -2.144 380 H ILE 53 H ILE 53 -1.717 1.056 -4.570 381 HA ILE 53 HA ILE 53 0.516 0.768 -2.782 382 HB ILE 53 HB ILE 53 0.496 1.864 -5.599 383 HG12 ILE 53 2HG1 ILE 53 1.468 -0.865 -4.855 384 HG13 ILE 53 3HG1 ILE 53 -0.212 -0.667 -4.711 385 HG21 ILE 53 1HG2 ILE 53 2.918 1.217 -5.570 386 HG22 ILE 53 2HG2 ILE 53 2.572 2.539 -4.451 387 HG23 ILE 53 3HG2 ILE 53 2.784 0.887 -3.828 388 HD11 ILE 53 3HD1 ILE 53 1.456 -1.201 -7.006 389 HD12 ILE 53 1HD1 ILE 53 -0.309 -0.996 -7.011 390 HD13 ILE 53 2HD1 ILE 53 0.766 0.394 -7.304 391 H GLU 54 H GLU 54 -0.595 3.809 -4.471 392 HA GLU 54 HA GLU 54 1.470 5.448 -3.499 393 HB2 GLU 54 2HB GLU 54 -1.347 6.121 -4.499 394 HB3 GLU 54 3HB GLU 54 -0.162 7.338 -4.059 395 HG2 GLU 54 2HG GLU 54 1.426 6.275 -5.732 396 HG3 GLU 54 3HG GLU 54 0.099 5.329 -6.336 397 H ALA 55 H ALA 55 -1.859 5.074 -2.282 398 HA ALA 55 HA ALA 55 -1.746 7.032 -0.252 399 HB1 ALA 55 1HB ALA 55 -3.834 5.976 -1.060 400 HB2 ALA 55 2HB ALA 55 -3.289 4.370 -0.515 401 HB3 ALA 55 3HB ALA 55 -3.666 5.645 0.679 402 H HIS 56 H HIS 56 -0.858 3.629 -0.318 403 HA HIS 56 HA HIS 56 -0.079 3.496 2.498 404 HB2 HIS 56 2HB HIS 56 -0.024 1.456 0.240 405 HB3 HIS 56 3HB HIS 56 0.355 1.169 1.927 406 HD2 HIS 56 2HD HIS 56 -2.255 -0.291 0.674 407 HE1 HIS 56 1HE HIS 56 -4.711 2.666 2.493 408 HE2 HIS 56 2HE HIS 56 -4.678 0.341 1.454 409 H LYS 57 H LYS 57 1.468 3.835 -0.608 410 HA LYS 57 HA LYS 57 4.058 3.560 -0.012 411 HB2 LYS 57 2HB LYS 57 2.540 4.190 -2.152 412 HB3 LYS 57 3HB LYS 57 3.050 5.723 -1.957 413 HG2 LYS 57 2HG LYS 57 5.399 4.190 -1.765 414 HG3 LYS 57 3HG LYS 57 4.332 3.231 -2.784 415 HD2 LYS 57 2HD LYS 57 4.253 5.153 -4.415 416 HD3 LYS 57 3HD LYS 57 5.209 6.137 -3.289 417 HE2 LYS 57 2HE LYS 57 6.743 3.814 -3.562 418 HE3 LYS 57 3HE LYS 57 6.054 3.970 -5.144 419 HZ1 LYS 57 3HZ LYS 57 7.941 5.877 -3.854 420 HZ2 LYS 57 1HZ LYS 57 6.938 6.411 -5.025 421 HZ3 LYS 57 2HZ LYS 57 7.996 5.228 -5.326 422 H GLU 58 H GLU 58 2.117 6.659 0.117 423 HA GLU 58 HA GLU 58 3.910 8.421 1.239 424 HB2 GLU 58 2HB GLU 58 1.621 8.677 0.438 425 HB3 GLU 58 3HB GLU 58 1.006 7.722 1.720 426 HG2 GLU 58 2HG GLU 58 0.726 10.049 1.828 427 HG3 GLU 58 3HG GLU 58 1.414 9.266 3.281 428 H CYS 59 H CYS 59 1.974 5.847 2.636 429 HA CYS 59 HA CYS 59 2.163 6.948 5.061 430 HB2 CYS 59 2HB CYS 59 0.436 5.339 4.497 431 HB3 CYS 59 3HB CYS 59 1.512 3.965 4.475 432 H MET 60 H MET 60 3.971 4.199 3.725 433 HA MET 60 HA MET 60 6.090 3.927 5.667 434 HB2 MET 60 2HB MET 60 5.834 3.356 2.691 435 HB3 MET 60 3HB MET 60 7.395 3.288 3.506 436 HG2 MET 60 2HG MET 60 6.730 1.117 3.594 437 HG3 MET 60 3HG MET 60 6.316 1.702 5.207 438 HE1 MET 60 3HE MET 60 3.836 -1.180 3.970 439 HE2 MET 60 1HE MET 60 5.572 -0.944 3.756 440 HE3 MET 60 2HE MET 60 4.842 -0.710 5.365 441 H ARG 61 H ARG 61 5.777 6.197 2.800 442 HA ARG 61 HA ARG 61 8.469 7.102 2.950 443 HB2 ARG 61 2HB ARG 61 6.765 7.553 1.104 444 HB3 ARG 61 3HB ARG 61 5.970 8.709 2.150 445 HG2 ARG 61 2HG ARG 61 7.935 10.144 2.185 446 HG3 ARG 61 3HG ARG 61 8.859 8.959 1.231 447 HD2 ARG 61 2HD ARG 61 7.435 9.289 -0.688 448 HD3 ARG 61 3HD ARG 61 6.233 10.162 0.268 449 HE ARG 61 HE ARG 61 7.469 12.102 0.166 450 HH11 ARG 61 1HH1 ARG 61 9.636 9.561 -1.185 451 HH12 ARG 61 2HH1 ARG 61 10.501 10.797 -2.029 452 HH21 ARG 61 1HH2 ARG 61 8.909 13.476 -0.644 453 HH22 ARG 61 2HH2 ARG 61 10.313 12.893 -1.499 454 H ALA 62 H ALA 62 5.600 8.463 4.623 455 HA ALA 62 HA ALA 62 6.779 10.657 5.908 456 HB1 ALA 62 1HB ALA 62 4.372 10.163 5.852 457 HB2 ALA 62 2HB ALA 62 4.619 8.751 6.906 458 HB3 ALA 62 3HB ALA 62 4.925 10.390 7.527 459 H LEU 63 H LEU 63 7.153 7.246 6.725 460 HA LEU 63 HA LEU 63 8.412 7.519 9.307 461 HB2 LEU 63 2HB LEU 63 8.834 5.390 7.183 462 HB3 LEU 63 3HB LEU 63 9.198 5.231 8.829 463 HG LEU 63 HG LEU 63 6.463 5.423 7.521 464 HD11 LEU 63 1HD1 LEU 63 7.393 3.271 7.356 465 HD12 LEU 63 2HD1 LEU 63 5.956 3.288 8.368 466 HD13 LEU 63 3HD1 LEU 63 7.563 3.177 9.140 467 HD21 LEU 63 3HD2 LEU 63 7.043 5.245 10.479 468 HD22 LEU 63 1HD2 LEU 63 5.428 5.100 9.719 469 HD23 LEU 63 2HD2 LEU 63 6.299 6.636 9.636 470 H GLY 64 H GLY 64 9.587 8.352 6.205 471 HA2 GLY 64 1HA GLY 64 11.613 9.098 5.576 472 HA3 GLY 64 2HA GLY 64 12.427 8.463 7.028 473 H PHE 65 H PHE 65 10.307 6.420 5.129 474 HA PHE 65 HA PHE 65 12.470 4.581 4.559 475 HB2 PHE 65 2HB PHE 65 9.500 4.612 3.931 476 HB3 PHE 65 3HB PHE 65 10.526 3.364 3.374 477 HD1 PHE 65 2HD PHE 65 11.254 4.541 6.851 478 HD2 PHE 65 1HD PHE 65 8.977 1.829 4.369 479 HE1 PHE 65 2HE PHE 65 10.689 3.211 8.816 480 HE2 PHE 65 1HE PHE 65 8.274 0.606 6.390 481 HZ PHE 65 HZ PHE 65 9.086 1.354 8.628 482 H LYS 66 H LYS 66 12.202 3.440 2.381 483 HA LYS 66 HA LYS 66 13.627 4.867 0.389 484 HB2 LYS 66 2HB LYS 66 13.928 2.698 -0.526 485 HB3 LYS 66 3HB LYS 66 14.365 2.883 1.183 486 HG2 LYS 66 2HG LYS 66 11.943 1.923 1.705 487 HG3 LYS 66 3HG LYS 66 11.924 1.637 -0.036 488 HD2 LYS 66 2HD LYS 66 14.067 0.377 0.273 489 HD3 LYS 66 3HD LYS 66 14.041 0.862 1.985 490 HE2 LYS 66 2HE LYS 66 12.006 -0.546 2.367 491 HE3 LYS 66 3HE LYS 66 12.028 -1.017 0.661 492 HZ1 LYS 66 3HZ LYS 66 13.049 -2.771 1.797 493 HZ2 LYS 66 1HZ LYS 66 14.013 -1.815 2.729 494 HZ3 LYS 66 2HZ LYS 66 14.253 -1.980 1.085 495 H ILE 67 H ILE 67 10.942 5.537 0.641 496 HA ILE 67 HA ILE 67 9.571 4.632 -1.793 497 HB ILE 67 HB ILE 67 8.585 6.141 0.633 498 HG12 ILE 67 2HG1 ILE 67 6.965 4.288 0.724 499 HG13 ILE 67 3HG1 ILE 67 7.618 3.590 -0.756 500 HG21 ILE 67 1HG2 ILE 67 7.203 5.665 -2.008 501 HG22 ILE 67 2HG2 ILE 67 6.323 6.135 -0.559 502 HG23 ILE 67 3HG2 ILE 67 7.495 7.241 -1.258 503 HD11 ILE 67 3HD1 ILE 67 8.291 2.446 1.389 504 HD12 ILE 67 1HD1 ILE 67 9.649 2.940 0.371 505 HD13 ILE 67 2HD1 ILE 67 9.195 3.928 1.782 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 10.518 -59.912 -12.065 2 H2 GLY 1 H2 GLY 1 11.330 -60.610 -10.819 3 H3 GLY 1 H3 GLY 1 11.851 -60.840 -12.371 4 HA2 GLY 1 2HA GLY 1 13.250 -59.295 -11.165 5 HA3 GLY 1 1HA GLY 1 12.508 -58.602 -12.618 6 H SER 2 H SER 2 13.283 -56.701 -11.164 7 HA SER 2 HA SER 2 10.986 -55.484 -9.789 8 HB2 SER 2 2HB SER 2 12.582 -55.055 -7.758 9 HB3 SER 2 3HB SER 2 11.725 -56.594 -7.892 10 HG SER 2 HG SER 2 14.455 -56.123 -8.581 11 H PHE 3 H PHE 3 10.968 -53.408 -10.581 12 HA PHE 3 HA PHE 3 13.555 -52.107 -11.333 13 HB2 PHE 3 2HB PHE 3 11.120 -52.242 -13.131 14 HB3 PHE 3 3HB PHE 3 12.745 -51.710 -13.541 15 HD1 PHE 3 2HD PHE 3 14.647 -53.614 -13.280 16 HD2 PHE 3 1HD PHE 3 10.430 -54.387 -13.774 17 HE1 PHE 3 2HE PHE 3 15.158 -55.890 -14.112 18 HE2 PHE 3 1HE PHE 3 10.945 -56.660 -14.610 19 HZ PHE 3 HZ PHE 3 13.319 -57.424 -14.772 20 H THR 4 H THR 4 13.602 -49.888 -10.973 21 HA THR 4 HA THR 4 11.124 -48.399 -10.418 22 HB THR 4 HB THR 4 11.480 -49.634 -8.362 23 HG1 THR 4 1HG THR 4 11.549 -47.773 -7.023 24 HG21 THR 4 1HG2 THR 4 13.341 -49.149 -6.850 25 HG22 THR 4 2HG2 THR 4 14.107 -48.108 -8.070 26 HG23 THR 4 3HG2 THR 4 13.964 -49.859 -8.346 27 H MET 5 H MET 5 11.602 -46.149 -9.720 28 HA MET 5 HA MET 5 14.130 -44.917 -10.289 29 HB2 MET 5 2HB MET 5 13.368 -43.539 -12.217 30 HB3 MET 5 3HB MET 5 13.455 -45.249 -12.626 31 HG2 MET 5 2HG MET 5 11.008 -45.453 -12.382 32 HG3 MET 5 3HG MET 5 10.895 -43.753 -11.918 33 HE1 MET 5 3HE MET 5 8.978 -43.467 -13.685 34 HE2 MET 5 1HE MET 5 9.143 -43.860 -15.412 35 HE3 MET 5 2HE MET 5 9.147 -45.162 -14.200 36 HA PRO 6 HA PRO 6 11.947 -41.807 -7.743 37 HB2 PRO 6 2HB PRO 6 13.287 -39.507 -8.391 38 HB3 PRO 6 3HB PRO 6 13.923 -40.763 -7.291 39 HG2 PRO 6 2HG PRO 6 14.563 -40.352 -10.221 40 HG3 PRO 6 3HG PRO 6 15.690 -40.695 -8.873 41 HD2 PRO 6 2HD PRO 6 14.812 -42.650 -10.563 42 HD3 PRO 6 3HD PRO 6 15.091 -42.974 -8.828 43 H GLY 7 H GLY 7 12.691 -40.849 -11.120 44 HA2 GLY 7 1HA GLY 7 11.353 -40.104 -12.850 45 HA3 GLY 7 2HA GLY 7 9.928 -40.492 -11.876 46 H LEU 8 H LEU 8 10.054 -38.826 -9.748 47 HA LEU 8 HA LEU 8 10.738 -36.093 -10.514 48 HB2 LEU 8 2HB LEU 8 8.552 -35.157 -10.202 49 HB3 LEU 8 3HB LEU 8 8.568 -36.268 -11.540 50 HG LEU 8 HG LEU 8 7.279 -36.722 -8.824 51 HD11 LEU 8 1HD1 LEU 8 6.102 -36.360 -11.619 52 HD12 LEU 8 2HD1 LEU 8 6.132 -35.127 -10.339 53 HD13 LEU 8 3HD1 LEU 8 5.190 -36.605 -10.112 54 HD21 LEU 8 3HD2 LEU 8 7.913 -38.945 -9.611 55 HD22 LEU 8 1HD2 LEU 8 7.302 -38.576 -11.249 56 HD23 LEU 8 2HD2 LEU 8 6.187 -38.724 -9.872 57 H VAL 9 H VAL 9 11.091 -34.800 -8.774 58 HA VAL 9 HA VAL 9 11.798 -36.160 -6.376 59 HB VAL 9 HB VAL 9 12.883 -34.206 -7.527 60 HG11 VAL 9 1HG1 VAL 9 10.982 -32.432 -5.979 61 HG12 VAL 9 2HG1 VAL 9 12.334 -31.929 -6.999 62 HG13 VAL 9 3HG1 VAL 9 10.925 -32.705 -7.734 63 HG21 VAL 9 3HG2 VAL 9 13.561 -34.988 -5.218 64 HG22 VAL 9 1HG2 VAL 9 13.993 -33.326 -5.625 65 HG23 VAL 9 2HG2 VAL 9 12.623 -33.642 -4.555 66 H ASP 10 H ASP 10 8.788 -35.697 -7.020 67 HA ASP 10 HA ASP 10 6.966 -34.536 -6.201 68 HB2 ASP 10 2HB ASP 10 6.788 -36.887 -5.598 69 HB3 ASP 10 3HB ASP 10 7.575 -36.572 -4.046 70 H SER 11 H SER 11 8.270 -32.581 -5.973 71 HA SER 11 HA SER 11 7.529 -31.300 -3.454 72 HB2 SER 11 2HB SER 11 9.972 -32.145 -3.216 73 HB3 SER 11 3HB SER 11 10.399 -30.895 -4.381 74 HG SER 11 HG SER 11 9.286 -29.403 -2.964 75 H ASN 12 H ASN 12 5.986 -30.696 -5.162 76 HA ASN 12 HA ASN 12 6.603 -28.864 -7.263 77 HB2 ASN 12 2HB ASN 12 4.255 -29.948 -6.032 78 HB3 ASN 12 3HB ASN 12 4.036 -28.222 -6.145 79 HD21 ASN 12 1HD2 ASN 12 5.504 -30.838 -8.145 80 HD22 ASN 12 2HD2 ASN 12 4.779 -30.283 -9.632 81 HA PRO 13 HA PRO 13 7.871 -25.221 -5.491 82 HB2 PRO 13 2HB PRO 13 6.834 -23.191 -6.978 83 HB3 PRO 13 3HB PRO 13 7.855 -24.479 -7.688 84 HG2 PRO 13 2HG PRO 13 4.871 -24.159 -7.843 85 HG3 PRO 13 3HG PRO 13 6.004 -24.817 -9.064 86 HD2 PRO 13 2HD PRO 13 4.422 -26.262 -7.184 87 HD3 PRO 13 3HD PRO 13 5.718 -26.970 -8.165 88 H ALA 14 H ALA 14 7.610 -24.249 -3.644 89 HA ALA 14 HA ALA 14 5.159 -22.824 -2.855 90 HB1 ALA 14 1HB ALA 14 4.745 -24.233 -0.920 91 HB2 ALA 14 2HB ALA 14 4.628 -25.170 -2.430 92 HB3 ALA 14 3HB ALA 14 6.066 -25.339 -1.412 93 HA PRO 15 HA PRO 15 8.910 -20.927 -0.876 94 HB2 PRO 15 2HB PRO 15 8.703 -18.430 -1.952 95 HB3 PRO 15 3HB PRO 15 9.489 -19.784 -2.824 96 HG2 PRO 15 2HG PRO 15 6.655 -18.751 -3.135 97 HG3 PRO 15 3HG PRO 15 7.845 -19.122 -4.421 98 HD2 PRO 15 2HD PRO 15 5.882 -20.875 -3.609 99 HD3 PRO 15 3HD PRO 15 7.464 -21.418 -4.235 100 HA PRO 16 HA PRO 16 6.200 -19.242 2.135 101 HB2 PRO 16 2HB PRO 16 7.789 -17.725 3.760 102 HB3 PRO 16 3HB PRO 16 8.095 -19.458 3.453 103 HG2 PRO 16 2HG PRO 16 9.350 -17.094 2.011 104 HG3 PRO 16 3HG PRO 16 10.201 -18.446 2.835 105 HD2 PRO 16 2HD PRO 16 9.679 -18.477 0.155 106 HD3 PRO 16 3HD PRO 16 9.614 -19.972 1.138 107 H GLU 17 H GLU 17 6.047 -17.714 -0.313 108 HA GLU 17 HA GLU 17 5.800 -14.893 0.123 109 HB2 GLU 17 2HB GLU 17 4.862 -14.869 -1.992 110 HB3 GLU 17 3HB GLU 17 6.202 -15.988 -2.056 111 HG2 GLU 17 2HG GLU 17 4.763 -17.886 -2.071 112 HG3 GLU 17 3HG GLU 17 3.360 -16.955 -1.595 113 H SER 18 H SER 18 3.874 -17.338 1.284 114 HA SER 18 HA SER 18 1.268 -16.050 0.628 115 HB2 SER 18 2HB SER 18 2.249 -18.396 -0.202 116 HB3 SER 18 3HB SER 18 1.576 -18.989 1.293 117 HG SER 18 HG SER 18 0.324 -18.058 -0.993 118 H GLN 19 H GLN 19 3.042 -17.413 3.365 119 HA GLN 19 HA GLN 19 0.537 -17.464 4.985 120 HB2 GLN 19 2HB GLN 19 1.389 -19.629 4.244 121 HB3 GLN 19 3HB GLN 19 2.907 -19.281 5.050 122 HG2 GLN 19 2HG GLN 19 1.465 -19.007 7.221 123 HG3 GLN 19 3HG GLN 19 0.145 -19.717 6.279 124 HE21 GLN 19 1HE2 GLN 19 0.581 -21.983 5.372 125 HE22 GLN 19 2HE2 GLN 19 1.701 -22.995 6.272 126 H GLU 20 H GLU 20 0.763 -15.381 5.865 127 HA GLU 20 HA GLU 20 3.176 -14.224 6.509 128 HB2 GLU 20 2HB GLU 20 0.382 -13.470 6.613 129 HB3 GLU 20 3HB GLU 20 1.179 -12.900 8.084 130 HG2 GLU 20 2HG GLU 20 2.988 -11.911 6.693 131 HG3 GLU 20 3HG GLU 20 2.105 -12.362 5.228 132 H LYS 21 H LYS 21 4.419 -13.800 8.136 133 HA LYS 21 HA LYS 21 3.706 -14.269 10.932 134 HB2 LYS 21 2HB LYS 21 5.697 -15.641 11.416 135 HB3 LYS 21 3HB LYS 21 4.600 -16.436 10.301 136 HG2 LYS 21 2HG LYS 21 6.108 -15.672 8.385 137 HG3 LYS 21 3HG LYS 21 7.259 -15.116 9.611 138 HD2 LYS 21 2HD LYS 21 7.396 -17.438 10.510 139 HD3 LYS 21 3HD LYS 21 6.204 -17.970 9.306 140 HE2 LYS 21 2HE LYS 21 7.760 -17.208 7.482 141 HE3 LYS 21 3HE LYS 21 8.965 -16.809 8.717 142 HZ1 LYS 21 3HZ LYS 21 9.462 -18.978 7.917 143 HZ2 LYS 21 1HZ LYS 21 7.909 -19.518 8.098 144 HZ3 LYS 21 2HZ LYS 21 8.818 -19.222 9.399 145 H LYS 22 H LYS 22 6.035 -13.663 12.169 146 HA LYS 22 HA LYS 22 7.104 -11.128 11.015 147 HB2 LYS 22 2HB LYS 22 5.517 -11.448 13.592 148 HB3 LYS 22 3HB LYS 22 6.876 -10.351 13.585 149 HG2 LYS 22 2HG LYS 22 5.109 -8.951 13.080 150 HG3 LYS 22 3HG LYS 22 5.889 -9.218 11.529 151 HD2 LYS 22 2HD LYS 22 3.881 -11.231 11.734 152 HD3 LYS 22 3HD LYS 22 3.146 -9.803 12.421 153 HE2 LYS 22 2HE LYS 22 3.339 -8.548 10.422 154 HE3 LYS 22 3HE LYS 22 4.614 -9.599 9.772 155 HZ1 LYS 22 3HZ LYS 22 1.846 -10.557 10.194 156 HZ2 LYS 22 1HZ LYS 22 3.081 -11.299 9.383 157 HZ3 LYS 22 2HZ LYS 22 2.368 -9.961 8.757 158 HA PRO 23 HA PRO 23 10.886 -12.686 12.615 159 HB2 PRO 23 2HB PRO 23 12.421 -10.488 13.154 160 HB3 PRO 23 3HB PRO 23 11.916 -10.951 11.503 161 HG2 PRO 23 2HG PRO 23 10.645 -8.884 13.324 162 HG3 PRO 23 3HG PRO 23 11.068 -8.730 11.591 163 HD2 PRO 23 2HD PRO 23 8.536 -9.338 12.430 164 HD3 PRO 23 3HD PRO 23 9.219 -10.010 10.921 165 H LEU 24 H LEU 24 9.742 -10.086 14.802 166 HA LEU 24 HA LEU 24 9.383 -11.857 16.945 167 HB2 LEU 24 2HB LEU 24 12.025 -11.347 16.973 168 HB3 LEU 24 3HB LEU 24 11.554 -9.879 17.755 169 HG LEU 24 HG LEU 24 12.105 -11.398 19.453 170 HD11 LEU 24 1HD1 LEU 24 10.114 -11.747 20.768 171 HD12 LEU 24 2HD1 LEU 24 9.068 -11.642 19.344 172 HD13 LEU 24 3HD1 LEU 24 9.948 -10.207 19.917 173 HD21 LEU 24 3HD2 LEU 24 12.055 -13.461 18.091 174 HD22 LEU 24 1HD2 LEU 24 10.285 -13.497 18.204 175 HD23 LEU 24 2HD2 LEU 24 11.277 -13.673 19.668 176 H LYS 25 H LYS 25 10.449 -8.476 17.285 177 HA LYS 25 HA LYS 25 7.633 -7.531 17.538 178 HB2 LYS 25 2HB LYS 25 8.360 -6.042 19.361 179 HB3 LYS 25 3HB LYS 25 8.240 -7.744 19.760 180 HG2 LYS 25 2HG LYS 25 10.581 -8.006 20.017 181 HG3 LYS 25 3HG LYS 25 10.955 -6.522 19.135 182 HD2 LYS 25 2HD LYS 25 9.984 -5.152 20.862 183 HD3 LYS 25 3HD LYS 25 9.437 -6.550 21.785 184 HE2 LYS 25 2HE LYS 25 12.392 -6.065 21.194 185 HE3 LYS 25 3HE LYS 25 11.556 -5.225 22.499 186 HZ1 LYS 25 3HZ LYS 25 10.873 -7.478 23.335 187 HZ2 LYS 25 1HZ LYS 25 12.429 -7.101 23.528 188 HZ3 LYS 25 2HZ LYS 25 12.011 -8.141 22.325 189 HA PRO 26 HA PRO 26 9.970 -5.021 14.488 190 HB2 PRO 26 2HB PRO 26 8.053 -4.719 12.569 191 HB3 PRO 26 3HB PRO 26 8.977 -6.240 12.777 192 HG2 PRO 26 2HG PRO 26 6.217 -5.575 13.860 193 HG3 PRO 26 3HG PRO 26 6.727 -7.039 12.957 194 HD2 PRO 26 2HD PRO 26 6.578 -6.969 15.688 195 HD3 PRO 26 3HD PRO 26 7.837 -7.921 14.848 196 H CYS 27 H CYS 27 9.900 -2.813 13.898 197 HA CYS 27 HA CYS 27 8.319 -0.948 15.423 198 HB2 CYS 27 2HB CYS 27 10.099 -0.697 12.960 199 HB3 CYS 27 3HB CYS 27 9.262 0.688 13.672 200 HG CYS 27 HG CYS 27 10.246 0.555 16.030 201 H CYS 28 H CYS 28 6.928 0.667 14.521 202 HA CYS 28 HA CYS 28 4.655 -0.499 13.268 203 HB2 CYS 28 2HB CYS 28 5.284 2.356 14.119 204 HB3 CYS 28 3HB CYS 28 3.690 1.787 13.602 205 HG CYS 28 HG CYS 28 5.549 0.859 16.161 206 H ALA 29 H ALA 29 6.158 -0.972 11.183 207 HA ALA 29 HA ALA 29 5.928 1.062 9.107 208 HB1 ALA 29 1HB ALA 29 7.595 -0.737 8.980 209 HB2 ALA 29 2HB ALA 29 6.281 -1.942 8.850 210 HB3 ALA 29 3HB ALA 29 6.501 -0.726 7.574 211 H CYS 30 H CYS 30 3.550 1.320 10.149 212 HA CYS 30 HA CYS 30 1.289 1.400 9.686 213 HB2 CYS 30 2HB CYS 30 2.572 1.188 6.995 214 HB3 CYS 30 3HB CYS 30 1.008 1.913 7.334 215 HA PRO 31 HA PRO 31 0.479 -3.396 8.684 216 HB2 PRO 31 2HB PRO 31 -1.217 -3.420 10.916 217 HB3 PRO 31 3HB PRO 31 0.411 -4.121 10.812 218 HG2 PRO 31 2HG PRO 31 -0.475 -1.443 11.940 219 HG3 PRO 31 3HG PRO 31 0.793 -2.533 12.575 220 HD2 PRO 31 2HD PRO 31 1.452 -0.293 11.142 221 HD3 PRO 31 3HD PRO 31 2.342 -1.828 10.918 222 H GLU 32 H GLU 32 -1.918 -1.101 10.043 223 HA GLU 32 HA GLU 32 -4.082 -2.014 8.631 224 HB2 GLU 32 2HB GLU 32 -4.446 0.716 8.219 225 HB3 GLU 32 3HB GLU 32 -4.959 -0.245 9.559 226 HG2 GLU 32 2HG GLU 32 -2.773 0.407 10.755 227 HG3 GLU 32 3HG GLU 32 -2.447 1.476 9.383 228 H THR 33 H THR 33 -1.843 0.369 7.301 229 HA THR 33 HA THR 33 -3.167 0.554 4.878 230 HB THR 33 HB THR 33 -1.225 1.810 4.056 231 HG1 THR 33 1HG THR 33 0.137 0.634 6.209 232 HG21 THR 33 1HG2 THR 33 -2.710 2.853 5.810 233 HG22 THR 33 2HG2 THR 33 -1.104 3.534 5.645 234 HG23 THR 33 3HG2 THR 33 -1.455 2.454 7.008 235 H LYS 34 H LYS 34 -0.101 -1.191 5.543 236 HA LYS 34 HA LYS 34 0.396 -2.525 3.090 237 HB2 LYS 34 2HB LYS 34 2.026 -2.483 4.860 238 HB3 LYS 34 3HB LYS 34 0.903 -3.068 6.055 239 HG2 LYS 34 2HG LYS 34 2.217 -4.789 3.915 240 HG3 LYS 34 3HG LYS 34 2.618 -4.584 5.630 241 HD2 LYS 34 2HD LYS 34 0.381 -5.496 6.233 242 HD3 LYS 34 3HD LYS 34 0.261 -6.094 4.555 243 HE2 LYS 34 2HE LYS 34 2.712 -6.730 6.179 244 HE3 LYS 34 3HE LYS 34 1.186 -7.499 6.639 245 HZ1 LYS 34 3HZ LYS 34 2.329 -7.691 3.904 246 HZ2 LYS 34 1HZ LYS 34 0.988 -8.501 4.513 247 HZ3 LYS 34 2HZ LYS 34 2.450 -8.817 5.092 248 H LYS 35 H LYS 35 -1.107 -3.799 5.929 249 HA LYS 35 HA LYS 35 -2.100 -6.240 5.066 250 HB2 LYS 35 2HB LYS 35 -1.859 -5.126 7.316 251 HB3 LYS 35 3HB LYS 35 -3.271 -4.262 7.119 252 HG2 LYS 35 2HG LYS 35 -3.772 -6.142 8.542 253 HG3 LYS 35 3HG LYS 35 -4.513 -6.400 6.994 254 HD2 LYS 35 2HD LYS 35 -3.721 -8.518 7.776 255 HD3 LYS 35 3HD LYS 35 -2.853 -8.015 6.307 256 HE2 LYS 35 2HE LYS 35 -1.048 -8.505 7.633 257 HE3 LYS 35 3HE LYS 35 -1.379 -6.784 7.955 258 HZ1 LYS 35 3HZ LYS 35 -2.541 -7.453 10.020 259 HZ2 LYS 35 1HZ LYS 35 -1.004 -7.967 10.021 260 HZ3 LYS 35 2HZ LYS 35 -2.203 -9.029 9.721 261 H ALA 36 H ALA 36 -3.850 -3.227 5.000 262 HA ALA 36 HA ALA 36 -6.070 -4.160 3.375 263 HB1 ALA 36 1HB ALA 36 -6.205 -2.138 4.750 264 HB2 ALA 36 2HB ALA 36 -4.995 -1.339 3.731 265 HB3 ALA 36 3HB ALA 36 -6.575 -1.779 3.057 266 H ARG 37 H ARG 37 -3.038 -2.468 2.309 267 HA ARG 37 HA ARG 37 -3.499 -2.225 -0.481 268 HB2 ARG 37 2HB ARG 37 -1.282 -1.758 1.097 269 HB3 ARG 37 3HB ARG 37 -0.774 -3.241 0.526 270 HG2 ARG 37 2HG ARG 37 -1.875 -1.570 -1.643 271 HG3 ARG 37 3HG ARG 37 -0.599 -0.792 -0.753 272 HD2 ARG 37 2HD ARG 37 0.079 -2.033 -2.861 273 HD3 ARG 37 3HD ARG 37 0.916 -2.240 -1.333 274 HE ARG 37 HE ARG 37 -0.490 -4.334 -1.114 275 HH11 ARG 37 1HH1 ARG 37 1.546 -3.552 -3.831 276 HH12 ARG 37 2HH1 ARG 37 2.798 -4.666 -3.340 277 HH21 ARG 37 1HH2 ARG 37 1.352 -5.647 -0.409 278 HH22 ARG 37 2HH2 ARG 37 2.565 -5.940 -1.593 279 H ASP 38 H ASP 38 -1.956 -4.864 1.257 280 HA ASP 38 HA ASP 38 -1.271 -6.328 -1.005 281 HB2 ASP 38 2HB ASP 38 -1.209 -6.595 1.906 282 HB3 ASP 38 3HB ASP 38 -1.532 -8.176 1.183 283 H ALA 39 H ALA 39 -4.216 -6.498 1.090 284 HA ALA 39 HA ALA 39 -5.472 -8.739 -0.074 285 HB1 ALA 39 1HB ALA 39 -7.502 -7.771 0.940 286 HB2 ALA 39 2HB ALA 39 -6.120 -7.548 2.047 287 HB3 ALA 39 3HB ALA 39 -6.709 -6.186 1.056 288 H CYS 40 H CYS 40 -5.860 -5.206 -1.143 289 HA CYS 40 HA CYS 40 -7.626 -5.893 -3.356 290 HB2 CYS 40 2HB CYS 40 -7.060 -3.655 -2.236 291 HB3 CYS 40 3HB CYS 40 -5.509 -3.716 -2.997 292 H ILE 41 H ILE 41 -4.105 -5.647 -3.021 293 HA ILE 41 HA ILE 41 -3.393 -6.138 -5.747 294 HB ILE 41 HB ILE 41 -1.934 -6.241 -3.122 295 HG12 ILE 41 2HG1 ILE 41 -0.593 -4.492 -4.457 296 HG13 ILE 41 3HG1 ILE 41 -1.704 -4.655 -5.691 297 HG21 ILE 41 1HG2 ILE 41 -0.884 -8.086 -4.290 298 HG22 ILE 41 2HG2 ILE 41 -0.808 -7.158 -5.800 299 HG23 ILE 41 3HG2 ILE 41 0.183 -6.692 -4.398 300 HD11 ILE 41 3HD1 ILE 41 -2.126 -3.435 -3.000 301 HD12 ILE 41 1HD1 ILE 41 -2.175 -2.661 -4.570 302 HD13 ILE 41 2HD1 ILE 41 -3.467 -3.779 -4.072 303 H ILE 42 H ILE 42 -3.866 -8.425 -3.090 304 HA ILE 42 HA ILE 42 -3.471 -10.916 -4.395 305 HB ILE 42 HB ILE 42 -4.978 -9.800 -2.046 306 HG12 ILE 42 2HG1 ILE 42 -2.855 -11.911 -2.272 307 HG13 ILE 42 3HG1 ILE 42 -2.585 -10.199 -1.903 308 HG21 ILE 42 1HG2 ILE 42 -5.536 -12.590 -3.023 309 HG22 ILE 42 2HG2 ILE 42 -5.916 -11.980 -1.394 310 HG23 ILE 42 3HG2 ILE 42 -6.697 -11.244 -2.786 311 HD11 ILE 42 3HD1 ILE 42 -4.044 -12.222 -0.153 312 HD12 ILE 42 1HD1 ILE 42 -2.475 -11.458 0.138 313 HD13 ILE 42 2HD1 ILE 42 -3.949 -10.471 0.176 314 H GLU 43 H GLU 43 -6.457 -8.953 -4.052 315 HA GLU 43 HA GLU 43 -8.215 -10.789 -5.283 316 HB2 GLU 43 2HB GLU 43 -8.072 -7.962 -4.199 317 HB3 GLU 43 3HB GLU 43 -9.369 -8.318 -5.161 318 HG2 GLU 43 2HG GLU 43 -9.203 -10.466 -3.261 319 HG3 GLU 43 3HG GLU 43 -8.940 -8.929 -2.460 320 H LYS 44 H LYS 44 -6.598 -7.891 -6.427 321 HA LYS 44 HA LYS 44 -7.508 -8.403 -9.266 322 HB2 LYS 44 2HB LYS 44 -6.968 -5.682 -8.039 323 HB3 LYS 44 3HB LYS 44 -7.774 -6.117 -9.557 324 HG2 LYS 44 2HG LYS 44 -9.455 -7.403 -8.064 325 HG3 LYS 44 3HG LYS 44 -8.783 -6.470 -6.709 326 HD2 LYS 44 2HD LYS 44 -9.396 -4.412 -7.728 327 HD3 LYS 44 3HD LYS 44 -9.821 -5.240 -9.262 328 HE2 LYS 44 2HE LYS 44 -11.399 -6.709 -7.758 329 HE3 LYS 44 3HE LYS 44 -11.264 -5.420 -6.563 330 HZ1 LYS 44 3HZ LYS 44 -12.236 -5.098 -9.347 331 HZ2 LYS 44 1HZ LYS 44 -12.238 -3.909 -8.194 332 HZ3 LYS 44 2HZ LYS 44 -13.201 -5.242 -8.043 333 H GLY 45 H GLY 45 -4.975 -6.672 -7.498 334 HA2 GLY 45 1HA GLY 45 -2.599 -7.446 -8.214 335 HA3 GLY 45 2HA GLY 45 -3.093 -6.916 -9.820 336 H GLU 46 H GLU 46 -0.903 -5.804 -8.567 337 HA GLU 46 HA GLU 46 -1.473 -3.306 -7.169 338 HB2 GLU 46 2HB GLU 46 1.013 -3.403 -8.800 339 HB3 GLU 46 3HB GLU 46 0.752 -2.981 -7.120 340 HG2 GLU 46 2HG GLU 46 2.183 -4.787 -7.008 341 HG3 GLU 46 3HG GLU 46 0.615 -5.469 -6.606 342 H GLU 47 H GLU 47 -1.026 -4.223 -10.548 343 HA GLU 47 HA GLU 47 -1.410 -1.782 -11.763 344 HB2 GLU 47 2HB GLU 47 -2.246 -3.087 -13.692 345 HB3 GLU 47 3HB GLU 47 -0.734 -3.652 -12.997 346 HG2 GLU 47 2HG GLU 47 -1.720 -5.586 -12.039 347 HG3 GLU 47 3HG GLU 47 -3.350 -4.972 -12.281 348 H HIS 48 H HIS 48 -3.857 -3.397 -9.895 349 HA HIS 48 HA HIS 48 -6.070 -1.789 -11.131 350 HB2 HIS 48 2HB HIS 48 -5.886 -4.522 -9.841 351 HB3 HIS 48 3HB HIS 48 -7.415 -3.700 -9.905 352 HD2 HIS 48 2HD HIS 48 -5.369 -5.999 -11.796 353 HE1 HIS 48 1HE HIS 48 -7.601 -4.087 -14.878 354 HE2 HIS 48 2HE HIS 48 -5.923 -5.932 -14.374 355 H CYS 49 H CYS 49 -4.003 -1.873 -8.607 356 HA CYS 49 HA CYS 49 -5.798 -0.697 -6.556 357 HB2 CYS 49 2HB CYS 49 -3.740 -2.920 -6.408 358 HB3 CYS 49 3HB CYS 49 -4.367 -2.261 -5.090 359 H GLY 50 H GLY 50 -3.563 0.600 -8.361 360 HA2 GLY 50 1HA GLY 50 -1.597 1.144 -6.244 361 HA3 GLY 50 2HA GLY 50 -1.343 1.630 -7.838 362 H HIS 51 H HIS 51 -4.511 2.544 -6.821 363 HA HIS 51 HA HIS 51 -3.871 5.051 -5.415 364 HB2 HIS 51 2HB HIS 51 -6.173 5.093 -4.845 365 HB3 HIS 51 3HB HIS 51 -6.097 4.565 -6.514 366 HD2 HIS 51 2HD HIS 51 -8.044 3.871 -3.587 367 HE1 HIS 51 1HE HIS 51 -7.714 -0.011 -5.286 368 HE2 HIS 51 2HE HIS 51 -8.991 1.434 -3.597 369 H LEU 52 H LEU 52 -4.825 1.720 -4.501 370 HA LEU 52 HA LEU 52 -4.163 2.014 -1.737 371 HB2 LEU 52 2HB LEU 52 -4.883 -0.256 -3.626 372 HB3 LEU 52 3HB LEU 52 -3.952 -0.817 -2.434 373 HG LEU 52 HG LEU 52 -6.760 -0.283 -2.578 374 HD11 LEU 52 1HD1 LEU 52 -5.249 -0.961 -0.020 375 HD12 LEU 52 2HD1 LEU 52 -5.617 -2.135 -1.294 376 HD13 LEU 52 3HD1 LEU 52 -6.930 -1.360 -0.409 377 HD21 LEU 52 3HD2 LEU 52 -5.615 1.375 -0.320 378 HD22 LEU 52 1HD2 LEU 52 -7.334 1.021 -0.646 379 HD23 LEU 52 2HD2 LEU 52 -6.392 2.018 -1.789 380 H ILE 53 H ILE 53 -1.999 1.212 -4.438 381 HA ILE 53 HA ILE 53 0.209 0.907 -2.599 382 HB ILE 53 HB ILE 53 0.169 2.048 -5.388 383 HG12 ILE 53 2HG1 ILE 53 1.378 -0.586 -4.684 384 HG13 ILE 53 3HG1 ILE 53 -0.341 -0.532 -4.519 385 HG21 ILE 53 1HG2 ILE 53 2.518 1.174 -3.644 386 HG22 ILE 53 2HG2 ILE 53 2.636 1.540 -5.378 387 HG23 ILE 53 3HG2 ILE 53 2.213 2.826 -4.240 388 HD11 ILE 53 3HD1 ILE 53 1.381 -0.892 -6.834 389 HD12 ILE 53 1HD1 ILE 53 -0.399 -0.866 -6.836 390 HD13 ILE 53 2HD1 ILE 53 0.545 0.619 -7.111 391 H GLU 54 H GLU 54 -0.922 3.922 -4.278 392 HA GLU 54 HA GLU 54 1.173 5.455 -3.269 393 HB2 GLU 54 2HB GLU 54 -1.471 6.156 -4.536 394 HB3 GLU 54 3HB GLU 54 -0.382 7.421 -3.934 395 HG2 GLU 54 2HG GLU 54 0.385 5.302 -6.025 396 HG3 GLU 54 3HG GLU 54 -0.080 6.962 -6.374 397 H ALA 55 H ALA 55 -2.170 5.182 -2.145 398 HA ALA 55 HA ALA 55 -2.079 7.193 -0.208 399 HB1 ALA 55 1HB ALA 55 -3.965 5.752 0.822 400 HB2 ALA 55 2HB ALA 55 -4.174 6.110 -0.906 401 HB3 ALA 55 3HB ALA 55 -3.597 4.505 -0.405 402 H HIS 56 H HIS 56 -1.230 3.783 -0.120 403 HA HIS 56 HA HIS 56 -0.421 3.691 2.691 404 HB2 HIS 56 2HB HIS 56 -0.337 1.635 0.437 405 HB3 HIS 56 3HB HIS 56 0.028 1.341 2.119 406 HD2 HIS 56 2HD HIS 56 -2.588 -0.050 0.724 407 HE1 HIS 56 1HE HIS 56 -4.942 2.584 3.085 408 HE2 HIS 56 2HE HIS 56 -4.956 0.417 1.769 409 H LYS 57 H LYS 57 1.158 4.093 -0.402 410 HA LYS 57 HA LYS 57 3.762 3.726 0.235 411 HB2 LYS 57 2HB LYS 57 2.273 4.221 -1.952 412 HB3 LYS 57 3HB LYS 57 2.687 5.829 -1.717 413 HG2 LYS 57 2HG LYS 57 5.183 4.628 -1.670 414 HG3 LYS 57 3HG LYS 57 4.128 3.330 -2.299 415 HD2 LYS 57 2HD LYS 57 3.436 4.861 -4.160 416 HD3 LYS 57 3HD LYS 57 4.369 6.157 -3.452 417 HE2 LYS 57 2HE LYS 57 6.357 4.373 -3.731 418 HE3 LYS 57 3HE LYS 57 5.273 3.728 -4.973 419 HZ1 LYS 57 3HZ LYS 57 6.449 5.264 -6.146 420 HZ2 LYS 57 1HZ LYS 57 6.677 6.318 -4.912 421 HZ3 LYS 57 2HZ LYS 57 5.198 6.236 -5.682 422 H GLU 58 H GLU 58 1.876 6.817 0.333 423 HA GLU 58 HA GLU 58 4.010 8.224 1.536 424 HB2 GLU 58 2HB GLU 58 2.485 9.892 2.360 425 HB3 GLU 58 3HB GLU 58 2.528 9.652 0.654 426 HG2 GLU 58 2HG GLU 58 0.473 8.390 0.707 427 HG3 GLU 58 3HG GLU 58 0.365 8.598 2.486 428 H CYS 59 H CYS 59 1.634 6.140 3.056 429 HA CYS 59 HA CYS 59 2.479 6.619 5.755 430 HB2 CYS 59 2HB CYS 59 0.490 5.306 4.936 431 HB3 CYS 59 3HB CYS 59 1.488 3.903 4.689 432 H MET 60 H MET 60 3.841 4.301 3.342 433 HA MET 60 HA MET 60 6.078 3.507 4.983 434 HB2 MET 60 2HB MET 60 5.515 3.471 1.997 435 HB3 MET 60 3HB MET 60 7.059 2.962 2.679 436 HG2 MET 60 2HG MET 60 5.858 1.355 4.163 437 HG3 MET 60 3HG MET 60 4.327 1.828 3.433 438 HE1 MET 60 3HE MET 60 4.883 1.885 0.249 439 HE2 MET 60 1HE MET 60 4.394 0.217 -0.062 440 HE3 MET 60 2HE MET 60 3.505 1.180 1.130 441 H ARG 61 H ARG 61 5.787 6.310 2.753 442 HA ARG 61 HA ARG 61 8.558 7.107 3.013 443 HB2 ARG 61 2HB ARG 61 7.970 8.712 1.552 444 HB3 ARG 61 3HB ARG 61 6.348 8.014 1.561 445 HG2 ARG 61 2HG ARG 61 5.746 9.617 3.408 446 HG3 ARG 61 3HG ARG 61 7.328 10.359 3.230 447 HD2 ARG 61 2HD ARG 61 5.508 10.110 0.824 448 HD3 ARG 61 3HD ARG 61 5.153 11.305 2.072 449 HE ARG 61 HE ARG 61 7.913 11.497 1.230 450 HH11 ARG 61 1HH1 ARG 61 4.674 12.633 0.342 451 HH12 ARG 61 2HH1 ARG 61 5.310 13.717 -0.860 452 HH21 ARG 61 1HH2 ARG 61 8.625 13.178 0.022 453 HH22 ARG 61 2HH2 ARG 61 7.497 14.150 -0.885 454 H ALA 62 H ALA 62 5.868 7.681 5.180 455 HA ALA 62 HA ALA 62 7.040 9.687 6.778 456 HB1 ALA 62 1HB ALA 62 5.394 9.068 8.441 457 HB2 ALA 62 2HB ALA 62 4.661 8.962 6.828 458 HB3 ALA 62 3HB ALA 62 5.157 7.482 7.682 459 H LEU 63 H LEU 63 7.956 6.349 6.634 460 HA LEU 63 HA LEU 63 9.515 6.199 9.087 461 HB2 LEU 63 2HB LEU 63 9.409 4.706 6.445 462 HB3 LEU 63 3HB LEU 63 10.607 4.314 7.604 463 HG LEU 63 HG LEU 63 8.400 2.961 7.406 464 HD11 LEU 63 1HD1 LEU 63 10.288 2.582 8.960 465 HD12 LEU 63 2HD1 LEU 63 8.730 2.240 9.749 466 HD13 LEU 63 3HD1 LEU 63 9.588 3.757 10.098 467 HD21 LEU 63 3HD2 LEU 63 6.742 4.700 7.867 468 HD22 LEU 63 1HD2 LEU 63 7.461 4.986 9.470 469 HD23 LEU 63 2HD2 LEU 63 6.697 3.432 9.087 470 H GLY 64 H GLY 64 10.042 8.098 6.321 471 HA2 GLY 64 1HA GLY 64 11.843 9.154 5.428 472 HA3 GLY 64 2HA GLY 64 12.917 8.505 6.694 473 H PHE 65 H PHE 65 10.868 6.467 4.720 474 HA PHE 65 HA PHE 65 13.080 5.053 3.471 475 HB2 PHE 65 2HB PHE 65 10.072 4.871 3.263 476 HB3 PHE 65 3HB PHE 65 11.122 3.811 2.370 477 HD1 PHE 65 1HD PHE 65 12.992 3.834 5.253 478 HD2 PHE 65 2HD PHE 65 9.085 2.643 3.863 479 HE1 PHE 65 1HE PHE 65 12.901 2.095 6.990 480 HE2 PHE 65 2HE PHE 65 8.982 0.922 5.628 481 HZ PHE 65 HZ PHE 65 10.908 0.619 7.193 482 H LYS 66 H LYS 66 12.377 4.431 0.981 483 HA LYS 66 HA LYS 66 12.630 6.956 -0.574 484 HB2 LYS 66 2HB LYS 66 13.804 5.305 -2.251 485 HB3 LYS 66 3HB LYS 66 14.636 6.127 -0.951 486 HG2 LYS 66 2HG LYS 66 15.402 3.863 -1.084 487 HG3 LYS 66 3HG LYS 66 14.582 4.180 0.450 488 HD2 LYS 66 2HD LYS 66 12.618 2.898 -0.277 489 HD3 LYS 66 3HD LYS 66 13.307 2.712 -1.903 490 HE2 LYS 66 2HE LYS 66 15.146 1.403 -1.061 491 HE3 LYS 66 3HE LYS 66 14.705 1.711 0.617 492 HZ1 LYS 66 3HZ LYS 66 12.668 0.399 -1.051 493 HZ2 LYS 66 1HZ LYS 66 13.043 0.170 0.534 494 HZ3 LYS 66 2HZ LYS 66 13.990 -0.465 -0.637 495 H ILE 67 H ILE 67 10.526 7.277 -0.927 496 HA ILE 67 HA ILE 67 8.911 5.405 -2.546 497 HB ILE 67 HB ILE 67 8.415 7.303 -0.242 498 HG12 ILE 67 2HG1 ILE 67 6.942 5.429 0.487 499 HG13 ILE 67 3HG1 ILE 67 7.451 4.496 -0.943 500 HG21 ILE 67 1HG2 ILE 67 6.295 6.555 -2.260 501 HG22 ILE 67 2HG2 ILE 67 5.921 7.108 -0.625 502 HG23 ILE 67 3HG2 ILE 67 6.781 8.169 -1.748 503 HD11 ILE 67 3HD1 ILE 67 9.613 4.180 -0.008 504 HD12 ILE 67 1HD1 ILE 67 9.395 5.518 1.155 505 HD13 ILE 67 2HD1 ILE 67 8.520 3.988 1.347 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 22.207 10.531 11.734 2 H2 GLY 1 H2 GLY 1 22.879 10.615 10.239 3 H3 GLY 1 H3 GLY 1 23.783 10.926 11.580 4 HA2 GLY 1 2HA GLY 1 24.382 8.776 10.801 5 HA3 GLY 1 1HA GLY 1 23.520 8.656 12.350 6 H SER 2 H SER 2 22.757 6.528 11.942 7 HA SER 2 HA SER 2 20.750 6.221 9.727 8 HB2 SER 2 2HB SER 2 22.773 4.197 10.786 9 HB3 SER 2 3HB SER 2 21.440 3.826 9.678 10 HG SER 2 HG SER 2 23.833 5.199 9.213 11 H PHE 3 H PHE 3 18.741 5.673 10.454 12 HA PHE 3 HA PHE 3 18.232 5.778 13.227 13 HB2 PHE 3 2HB PHE 3 15.927 5.656 12.626 14 HB3 PHE 3 3HB PHE 3 16.755 6.609 11.415 15 HD1 PHE 3 1HD PHE 3 15.075 3.379 12.126 16 HD2 PHE 3 2HD PHE 3 16.829 5.862 9.068 17 HE1 PHE 3 1HE PHE 3 14.107 1.914 10.374 18 HE2 PHE 3 2HE PHE 3 15.837 4.403 7.323 19 HZ PHE 3 HZ PHE 3 14.496 2.418 7.968 20 H THR 4 H THR 4 19.291 3.014 11.699 21 HA THR 4 HA THR 4 18.034 1.054 13.502 22 HB THR 4 HB THR 4 16.469 1.202 11.667 23 HG1 THR 4 1HG THR 4 16.708 -0.956 10.874 24 HG21 THR 4 1HG2 THR 4 17.040 0.592 9.362 25 HG22 THR 4 2HG2 THR 4 18.754 0.451 9.789 26 HG23 THR 4 3HG2 THR 4 17.944 2.035 9.826 27 H MET 5 H MET 5 19.038 -1.163 13.027 28 HA MET 5 HA MET 5 21.792 -1.128 12.009 29 HB2 MET 5 2HB MET 5 22.791 -1.857 14.144 30 HB3 MET 5 3HB MET 5 22.094 -0.246 14.288 31 HG2 MET 5 2HG MET 5 20.125 -1.167 15.420 32 HG3 MET 5 3HG MET 5 20.731 -2.810 15.230 33 HE1 MET 5 3HE MET 5 23.560 -3.132 17.823 34 HE2 MET 5 1HE MET 5 22.342 -3.989 16.858 35 HE3 MET 5 2HE MET 5 23.622 -3.046 16.050 36 HA PRO 6 HA PRO 6 20.639 -5.283 11.090 37 HB2 PRO 6 2HB PRO 6 22.989 -6.718 11.197 38 HB3 PRO 6 3HB PRO 6 22.562 -5.562 9.904 39 HG2 PRO 6 2HG PRO 6 24.293 -5.088 12.343 40 HG3 PRO 6 3HG PRO 6 24.628 -4.641 10.640 41 HD2 PRO 6 2HD PRO 6 23.647 -2.839 12.401 42 HD3 PRO 6 3HD PRO 6 23.077 -2.856 10.713 43 H GLY 7 H GLY 7 22.578 -5.040 14.082 44 HA2 GLY 7 1HA GLY 7 22.345 -6.105 16.156 45 HA3 GLY 7 2HA GLY 7 20.866 -6.883 15.575 46 H LEU 8 H LEU 8 21.577 -8.333 13.485 47 HA LEU 8 HA LEU 8 24.111 -9.759 13.789 48 HB2 LEU 8 2HB LEU 8 23.228 -11.929 13.917 49 HB3 LEU 8 3HB LEU 8 22.541 -11.018 15.246 50 HG LEU 8 HG LEU 8 21.094 -11.814 12.676 51 HD11 LEU 8 1HD1 LEU 8 21.564 -13.699 14.164 52 HD12 LEU 8 2HD1 LEU 8 19.836 -13.323 14.182 53 HD13 LEU 8 3HD1 LEU 8 20.868 -12.820 15.543 54 HD21 LEU 8 3HD2 LEU 8 19.009 -11.155 13.877 55 HD22 LEU 8 1HD2 LEU 8 20.027 -9.774 13.498 56 HD23 LEU 8 2HD2 LEU 8 19.995 -10.427 15.158 57 H VAL 9 H VAL 9 24.396 -11.322 11.913 58 HA VAL 9 HA VAL 9 23.770 -9.881 9.468 59 HB VAL 9 HB VAL 9 25.402 -11.430 8.450 60 HG11 VAL 9 1HG1 VAL 9 26.393 -10.266 11.083 61 HG12 VAL 9 2HG1 VAL 9 27.364 -10.638 9.641 62 HG13 VAL 9 3HG1 VAL 9 26.146 -9.352 9.577 63 HG21 VAL 9 3HG2 VAL 9 24.931 -13.458 9.868 64 HG22 VAL 9 1HG2 VAL 9 26.648 -13.047 9.753 65 HG23 VAL 9 2HG2 VAL 9 25.750 -12.658 11.227 66 H ASP 10 H ASP 10 21.765 -11.838 10.920 67 HA ASP 10 HA ASP 10 20.359 -13.582 10.489 68 HB2 ASP 10 2HB ASP 10 19.546 -11.404 9.383 69 HB3 ASP 10 3HB ASP 10 19.928 -12.161 7.856 70 H SER 11 H SER 11 22.789 -14.713 10.096 71 HA SER 11 HA SER 11 22.376 -16.595 7.825 72 HB2 SER 11 2HB SER 11 23.705 -14.852 6.825 73 HB3 SER 11 3HB SER 11 24.885 -14.917 8.157 74 HG SER 11 HG SER 11 25.310 -17.044 7.617 75 H ASN 12 H ASN 12 21.806 -17.622 10.073 76 HA ASN 12 HA ASN 12 24.213 -19.028 11.146 77 HB2 ASN 12 2HB ASN 12 21.450 -18.597 12.291 78 HB3 ASN 12 3HB ASN 12 22.578 -19.743 12.982 79 HD21 ASN 12 1HD2 ASN 12 24.837 -18.918 13.473 80 HD22 ASN 12 2HD2 ASN 12 25.028 -17.226 13.792 81 HA PRO 13 HA PRO 13 23.444 -22.753 9.140 82 HB2 PRO 13 2HB PRO 13 23.219 -24.350 11.682 83 HB3 PRO 13 3HB PRO 13 24.345 -24.554 10.302 84 HG2 PRO 13 2HG PRO 13 25.207 -23.426 12.613 85 HG3 PRO 13 3HG PRO 13 25.698 -22.720 11.032 86 HD2 PRO 13 2HD PRO 13 23.406 -21.871 12.833 87 HD3 PRO 13 3HD PRO 13 24.672 -20.835 12.133 88 H ALA 14 H ALA 14 21.689 -23.272 8.041 89 HA ALA 14 HA ALA 14 19.100 -23.948 9.311 90 HB1 ALA 14 1HB ALA 14 18.055 -22.001 8.147 91 HB2 ALA 14 2HB ALA 14 19.312 -21.475 9.294 92 HB3 ALA 14 3HB ALA 14 19.655 -21.504 7.553 93 HA PRO 15 HA PRO 15 18.722 -26.357 5.587 94 HB2 PRO 15 2HB PRO 15 16.012 -26.736 5.343 95 HB3 PRO 15 3HB PRO 15 16.973 -27.433 6.681 96 HG2 PRO 15 2HG PRO 15 15.351 -24.868 6.693 97 HG3 PRO 15 3HG PRO 15 15.315 -26.200 7.890 98 HD2 PRO 15 2HD PRO 15 16.801 -23.949 8.274 99 HD3 PRO 15 3HD PRO 15 17.391 -25.552 8.805 100 HA PRO 16 HA PRO 16 18.084 -23.709 2.091 101 HB2 PRO 16 2HB PRO 16 17.564 -25.434 0.030 102 HB3 PRO 16 3HB PRO 16 19.152 -25.323 0.845 103 HG2 PRO 16 2HG PRO 16 16.918 -27.304 1.405 104 HG3 PRO 16 3HG PRO 16 18.654 -27.652 1.137 105 HD2 PRO 16 2HD PRO 16 17.615 -27.459 3.633 106 HD3 PRO 16 3HD PRO 16 19.242 -26.810 3.269 107 H GLU 17 H GLU 17 16.382 -22.557 2.726 108 HA GLU 17 HA GLU 17 14.319 -21.795 3.103 109 HB2 GLU 17 2HB GLU 17 14.784 -20.961 0.912 110 HB3 GLU 17 3HB GLU 17 13.814 -22.325 0.317 111 HG2 GLU 17 2HG GLU 17 11.914 -21.557 1.841 112 HG3 GLU 17 3HG GLU 17 12.916 -20.189 2.282 113 H SER 18 H SER 18 13.178 -22.883 4.567 114 HA SER 18 HA SER 18 11.071 -24.784 3.663 115 HB2 SER 18 2HB SER 18 13.498 -25.690 3.850 116 HB3 SER 18 3HB SER 18 13.297 -25.544 5.528 117 HG SER 18 HG SER 18 11.818 -27.106 3.644 118 H GLN 19 H GLN 19 10.507 -22.356 5.098 119 HA GLN 19 HA GLN 19 9.562 -23.686 7.459 120 HB2 GLN 19 2HB GLN 19 10.526 -22.213 9.157 121 HB3 GLN 19 3HB GLN 19 11.769 -23.044 8.211 122 HG2 GLN 19 2HG GLN 19 12.197 -20.992 6.904 123 HG3 GLN 19 3HG GLN 19 10.918 -20.154 7.793 124 HE21 GLN 19 1HE2 GLN 19 12.057 -18.604 8.885 125 HE22 GLN 19 2HE2 GLN 19 13.401 -18.978 9.966 126 H GLU 20 H GLU 20 7.579 -22.995 8.120 127 HA GLU 20 HA GLU 20 6.490 -20.440 7.052 128 HB2 GLU 20 2HB GLU 20 4.296 -21.395 7.365 129 HB3 GLU 20 3HB GLU 20 5.330 -22.406 6.347 130 HG2 GLU 20 2HG GLU 20 5.742 -23.915 8.302 131 HG3 GLU 20 3HG GLU 20 4.626 -22.952 9.263 132 H LYS 21 H LYS 21 8.254 -20.447 9.291 133 HA LYS 21 HA LYS 21 6.870 -19.613 11.699 134 HB2 LYS 21 2HB LYS 21 9.440 -20.185 11.239 135 HB3 LYS 21 3HB LYS 21 9.537 -18.504 10.769 136 HG2 LYS 21 2HG LYS 21 10.246 -18.551 12.995 137 HG3 LYS 21 3HG LYS 21 8.591 -17.948 13.118 138 HD2 LYS 21 2HD LYS 21 7.803 -20.162 13.825 139 HD3 LYS 21 3HD LYS 21 9.377 -20.883 13.518 140 HE2 LYS 21 2HE LYS 21 8.846 -18.750 15.642 141 HE3 LYS 21 3HE LYS 21 8.861 -20.494 15.930 142 HZ1 LYS 21 3HZ LYS 21 10.999 -19.668 16.487 143 HZ2 LYS 21 1HZ LYS 21 11.178 -18.878 15.045 144 HZ3 LYS 21 2HZ LYS 21 11.176 -20.504 15.081 145 H LYS 22 H LYS 22 6.098 -17.539 12.229 146 HA LYS 22 HA LYS 22 5.231 -16.002 9.929 147 HB2 LYS 22 2HB LYS 22 4.703 -15.730 12.919 148 HB3 LYS 22 3HB LYS 22 3.950 -14.694 11.699 149 HG2 LYS 22 2HG LYS 22 2.403 -16.236 11.198 150 HG3 LYS 22 3HG LYS 22 3.622 -17.445 10.834 151 HD2 LYS 22 2HD LYS 22 3.753 -17.967 13.317 152 HD3 LYS 22 3HD LYS 22 2.358 -16.887 13.546 153 HE2 LYS 22 2HE LYS 22 1.060 -18.282 11.909 154 HE3 LYS 22 3HE LYS 22 2.462 -19.343 11.728 155 HZ1 LYS 22 3HZ LYS 22 1.009 -20.344 13.310 156 HZ2 LYS 22 1HZ LYS 22 0.868 -18.990 14.216 157 HZ3 LYS 22 2HZ LYS 22 2.275 -19.804 14.168 158 HA PRO 23 HA PRO 23 8.356 -13.075 9.706 159 HB2 PRO 23 2HB PRO 23 7.319 -11.112 8.126 160 HB3 PRO 23 3HB PRO 23 7.406 -12.815 7.619 161 HG2 PRO 23 2HG PRO 23 5.033 -11.413 8.911 162 HG3 PRO 23 3HG PRO 23 5.064 -12.306 7.350 163 HD2 PRO 23 2HD PRO 23 4.296 -13.527 9.653 164 HD3 PRO 23 3HD PRO 23 5.294 -14.387 8.439 165 H LEU 24 H LEU 24 7.408 -12.776 12.256 166 HA LEU 24 HA LEU 24 6.910 -11.109 13.981 167 HB2 LEU 24 2HB LEU 24 8.835 -12.651 14.097 168 HB3 LEU 24 3HB LEU 24 9.852 -11.440 13.321 169 HG LEU 24 HG LEU 24 9.555 -9.928 15.290 170 HD11 LEU 24 1HD1 LEU 24 8.575 -10.831 17.372 171 HD12 LEU 24 2HD1 LEU 24 8.013 -12.268 16.497 172 HD13 LEU 24 3HD1 LEU 24 7.347 -10.655 16.118 173 HD21 LEU 24 3HD2 LEU 24 11.446 -11.521 15.227 174 HD22 LEU 24 1HD2 LEU 24 10.439 -12.747 16.038 175 HD23 LEU 24 2HD2 LEU 24 10.878 -11.249 16.881 176 H LYS 25 H LYS 25 5.866 -9.205 13.166 177 HA LYS 25 HA LYS 25 7.118 -7.117 11.812 178 HB2 LYS 25 2HB LYS 25 5.210 -5.802 12.220 179 HB3 LYS 25 3HB LYS 25 4.689 -7.471 12.031 180 HG2 LYS 25 2HG LYS 25 4.646 -7.522 14.658 181 HG3 LYS 25 3HG LYS 25 4.738 -5.759 14.526 182 HD2 LYS 25 2HD LYS 25 2.663 -5.935 12.978 183 HD3 LYS 25 3HD LYS 25 2.555 -7.616 13.544 184 HE2 LYS 25 2HE LYS 25 2.814 -6.421 15.939 185 HE3 LYS 25 3HE LYS 25 2.160 -5.039 15.066 186 HZ1 LYS 25 3HZ LYS 25 0.165 -6.467 14.517 187 HZ2 LYS 25 1HZ LYS 25 0.432 -6.370 16.138 188 HZ3 LYS 25 2HZ LYS 25 0.885 -7.693 15.323 189 HA PRO 26 HA PRO 26 9.851 -5.950 15.142 190 HB2 PRO 26 2HB PRO 26 11.533 -4.226 13.851 191 HB3 PRO 26 3HB PRO 26 11.471 -5.974 13.471 192 HG2 PRO 26 2HG PRO 26 10.035 -3.707 12.042 193 HG3 PRO 26 3HG PRO 26 11.074 -4.981 11.323 194 HD2 PRO 26 2HD PRO 26 8.368 -5.231 11.394 195 HD3 PRO 26 3HD PRO 26 9.429 -6.641 11.661 196 H CYS 27 H CYS 27 7.477 -3.925 13.993 197 HA CYS 27 HA CYS 27 7.688 -1.841 16.012 198 HB2 CYS 27 2HB CYS 27 9.351 -1.244 14.143 199 HB3 CYS 27 3HB CYS 27 7.977 -1.094 13.054 200 HG CYS 27 HG CYS 27 8.766 0.599 15.802 201 H CYS 28 H CYS 28 5.897 -0.028 14.963 202 HA CYS 28 HA CYS 28 3.353 -1.279 14.406 203 HB2 CYS 28 2HB CYS 28 4.447 1.531 13.821 204 HB3 CYS 28 3HB CYS 28 2.756 1.042 13.632 205 HG CYS 28 HG CYS 28 2.977 2.391 15.878 206 H ALA 29 H ALA 29 5.631 0.448 12.223 207 HA ALA 29 HA ALA 29 5.527 0.789 9.985 208 HB1 ALA 29 1HB ALA 29 5.668 -2.222 9.970 209 HB2 ALA 29 2HB ALA 29 6.196 -1.114 8.690 210 HB3 ALA 29 3HB ALA 29 7.049 -1.120 10.258 211 H CYS 30 H CYS 30 3.009 1.251 10.627 212 HA CYS 30 HA CYS 30 0.828 1.416 9.701 213 HB2 CYS 30 2HB CYS 30 2.455 1.017 7.246 214 HB3 CYS 30 3HB CYS 30 0.945 1.804 7.456 215 HA PRO 31 HA PRO 31 -0.071 -3.233 8.868 216 HB2 PRO 31 2HB PRO 31 -1.988 -3.264 10.862 217 HB3 PRO 31 3HB PRO 31 -0.267 -3.679 11.191 218 HG2 PRO 31 2HG PRO 31 -1.725 -1.055 11.669 219 HG3 PRO 31 3HG PRO 31 -0.601 -1.918 12.769 220 HD2 PRO 31 2HD PRO 31 0.289 0.152 11.183 221 HD3 PRO 31 3HD PRO 31 1.267 -1.302 11.486 222 H GLU 32 H GLU 32 -2.405 -0.519 9.726 223 HA GLU 32 HA GLU 32 -4.426 -1.808 8.209 224 HB2 GLU 32 2HB GLU 32 -5.115 0.726 7.620 225 HB3 GLU 32 3HB GLU 32 -5.423 0.043 9.166 226 HG2 GLU 32 2HG GLU 32 -3.480 1.219 10.150 227 HG3 GLU 32 3HG GLU 32 -2.971 1.780 8.584 228 H THR 33 H THR 33 -2.056 0.515 7.123 229 HA THR 33 HA THR 33 -3.288 0.609 4.583 230 HB THR 33 HB THR 33 -1.173 1.967 3.952 231 HG1 THR 33 1HG THR 33 0.195 2.399 5.611 232 HG21 THR 33 1HG2 THR 33 -3.153 3.048 5.174 233 HG22 THR 33 2HG2 THR 33 -1.589 3.853 5.344 234 HG23 THR 33 3HG2 THR 33 -2.215 2.841 6.665 235 H LYS 34 H LYS 34 -0.140 -0.776 5.586 236 HA LYS 34 HA LYS 34 0.696 -2.041 3.188 237 HB2 LYS 34 2HB LYS 34 1.933 -1.764 5.417 238 HB3 LYS 34 3HB LYS 34 0.779 -2.808 6.181 239 HG2 LYS 34 2HG LYS 34 2.970 -3.695 4.324 240 HG3 LYS 34 3HG LYS 34 2.766 -3.821 6.093 241 HD2 LYS 34 2HD LYS 34 0.737 -5.233 5.660 242 HD3 LYS 34 3HD LYS 34 1.369 -5.490 4.026 243 HE2 LYS 34 2HE LYS 34 2.719 -6.005 6.690 244 HE3 LYS 34 3HE LYS 34 1.918 -7.266 5.766 245 HZ1 LYS 34 3HZ LYS 34 4.374 -7.241 5.353 246 HZ2 LYS 34 1HZ LYS 34 4.306 -5.673 4.786 247 HZ3 LYS 34 2HZ LYS 34 3.641 -6.884 3.975 248 H LYS 35 H LYS 35 -1.053 -3.568 5.855 249 HA LYS 35 HA LYS 35 -1.456 -6.026 4.536 250 HB2 LYS 35 2HB LYS 35 -1.588 -5.076 7.017 251 HB3 LYS 35 3HB LYS 35 -3.242 -4.976 6.803 252 HG2 LYS 35 2HG LYS 35 -2.774 -7.059 7.820 253 HG3 LYS 35 3HG LYS 35 -3.039 -7.589 6.156 254 HD2 LYS 35 2HD LYS 35 -0.777 -7.894 5.691 255 HD3 LYS 35 3HD LYS 35 -0.249 -6.702 6.870 256 HE2 LYS 35 2HE LYS 35 -1.005 -9.524 7.420 257 HE3 LYS 35 3HE LYS 35 0.577 -8.677 7.514 258 HZ1 LYS 35 3HZ LYS 35 -1.750 -8.517 9.361 259 HZ2 LYS 35 1HZ LYS 35 -0.848 -7.204 9.256 260 HZ3 LYS 35 2HZ LYS 35 -0.192 -8.651 9.765 261 H ALA 36 H ALA 36 -3.719 -3.334 4.802 262 HA ALA 36 HA ALA 36 -5.752 -4.473 3.076 263 HB1 ALA 36 1HB ALA 36 -5.083 -1.536 3.491 264 HB2 ALA 36 2HB ALA 36 -6.598 -2.202 2.848 265 HB3 ALA 36 3HB ALA 36 -6.150 -2.508 4.536 266 H ARG 37 H ARG 37 -2.844 -2.495 2.231 267 HA ARG 37 HA ARG 37 -3.215 -2.228 -0.593 268 HB2 ARG 37 2HB ARG 37 -1.004 -1.678 1.038 269 HB3 ARG 37 3HB ARG 37 -0.436 -3.128 0.411 270 HG2 ARG 37 2HG ARG 37 -1.631 -1.482 -1.671 271 HG3 ARG 37 3HG ARG 37 -0.393 -0.635 -0.807 272 HD2 ARG 37 2HD ARG 37 0.355 -1.740 -2.938 273 HD3 ARG 37 3HD ARG 37 1.183 -2.108 -1.432 274 HE ARG 37 HE ARG 37 -0.078 -4.214 -1.358 275 HH11 ARG 37 1HH1 ARG 37 1.802 -2.793 -4.041 276 HH12 ARG 37 2HH1 ARG 37 2.883 -4.186 -4.054 277 HH21 ARG 37 1HH2 ARG 37 1.576 -5.867 -1.524 278 HH22 ARG 37 2HH2 ARG 37 2.621 -5.835 -2.921 279 H ASP 38 H ASP 38 -1.491 -4.755 1.178 280 HA ASP 38 HA ASP 38 -1.017 -6.193 -1.102 281 HB2 ASP 38 2HB ASP 38 -0.544 -6.482 1.742 282 HB3 ASP 38 3HB ASP 38 -0.874 -8.079 1.021 283 H ALA 39 H ALA 39 -3.775 -6.509 1.226 284 HA ALA 39 HA ALA 39 -5.085 -8.761 0.148 285 HB1 ALA 39 1HB ALA 39 -6.311 -6.198 1.269 286 HB2 ALA 39 2HB ALA 39 -7.078 -7.794 1.214 287 HB3 ALA 39 3HB ALA 39 -5.670 -7.530 2.267 288 H CYS 40 H CYS 40 -5.495 -5.280 -0.998 289 HA CYS 40 HA CYS 40 -7.287 -6.023 -3.163 290 HB2 CYS 40 2HB CYS 40 -6.766 -3.806 -2.079 291 HB3 CYS 40 3HB CYS 40 -5.221 -3.789 -2.851 292 H ILE 41 H ILE 41 -3.763 -5.741 -2.913 293 HA ILE 41 HA ILE 41 -3.138 -6.267 -5.667 294 HB ILE 41 HB ILE 41 -1.548 -6.201 -3.171 295 HG12 ILE 41 2HG1 ILE 41 -0.393 -4.384 -4.532 296 HG13 ILE 41 3HG1 ILE 41 -1.532 -4.614 -5.729 297 HG21 ILE 41 1HG2 ILE 41 0.516 -6.521 -4.560 298 HG22 ILE 41 2HG2 ILE 41 -0.455 -7.992 -4.383 299 HG23 ILE 41 3HG2 ILE 41 -0.545 -7.042 -5.883 300 HD11 ILE 41 3HD1 ILE 41 -1.902 -3.372 -3.048 301 HD12 ILE 41 1HD1 ILE 41 -2.038 -2.643 -4.627 302 HD13 ILE 41 2HD1 ILE 41 -3.270 -3.801 -4.069 303 H ILE 42 H ILE 42 -3.541 -8.501 -2.958 304 HA ILE 42 HA ILE 42 -2.926 -10.991 -4.141 305 HB ILE 42 HB ILE 42 -4.660 -9.900 -1.934 306 HG12 ILE 42 2HG1 ILE 42 -2.393 -11.910 -1.966 307 HG13 ILE 42 3HG1 ILE 42 -2.182 -10.168 -1.715 308 HG21 ILE 42 1HG2 ILE 42 -4.861 -12.799 -2.739 309 HG22 ILE 42 2HG2 ILE 42 -5.432 -12.104 -1.202 310 HG23 ILE 42 3HG2 ILE 42 -6.163 -11.567 -2.703 311 HD11 ILE 42 3HD1 ILE 42 -3.621 -12.112 0.144 312 HD12 ILE 42 1HD1 ILE 42 -2.075 -11.297 0.407 313 HD13 ILE 42 2HD1 ILE 42 -3.567 -10.345 0.364 314 H GLU 43 H GLU 43 -5.831 -9.040 -4.335 315 HA GLU 43 HA GLU 43 -7.431 -11.181 -5.534 316 HB2 GLU 43 2HB GLU 43 -7.668 -8.948 -3.754 317 HB3 GLU 43 3HB GLU 43 -8.719 -8.581 -5.021 318 HG2 GLU 43 2HG GLU 43 -8.704 -11.267 -3.546 319 HG3 GLU 43 3HG GLU 43 -9.444 -9.785 -2.962 320 H LYS 44 H LYS 44 -6.654 -7.822 -6.234 321 HA LYS 44 HA LYS 44 -7.374 -8.161 -9.133 322 HB2 LYS 44 2HB LYS 44 -6.859 -5.557 -7.693 323 HB3 LYS 44 3HB LYS 44 -7.657 -5.833 -9.240 324 HG2 LYS 44 2HG LYS 44 -8.756 -6.474 -6.480 325 HG3 LYS 44 3HG LYS 44 -9.299 -5.223 -7.597 326 HD2 LYS 44 2HD LYS 44 -9.902 -7.017 -9.255 327 HD3 LYS 44 3HD LYS 44 -9.425 -8.226 -8.068 328 HE2 LYS 44 2HE LYS 44 -11.111 -6.863 -6.493 329 HE3 LYS 44 3HE LYS 44 -11.824 -6.407 -8.053 330 HZ1 LYS 44 3HZ LYS 44 -11.479 -9.116 -6.887 331 HZ2 LYS 44 1HZ LYS 44 -11.822 -8.932 -8.490 332 HZ3 LYS 44 2HZ LYS 44 -12.866 -8.403 -7.311 333 H GLY 45 H GLY 45 -4.784 -6.854 -7.134 334 HA2 GLY 45 1HA GLY 45 -2.408 -7.264 -7.817 335 HA3 GLY 45 2HA GLY 45 -2.885 -6.979 -9.476 336 H GLU 46 H GLU 46 -0.695 -5.530 -8.440 337 HA GLU 46 HA GLU 46 -1.291 -3.008 -7.249 338 HB2 GLU 46 2HB GLU 46 0.940 -3.891 -9.137 339 HB3 GLU 46 3HB GLU 46 0.905 -2.344 -8.319 340 HG2 GLU 46 2HG GLU 46 2.365 -3.440 -7.009 341 HG3 GLU 46 3HG GLU 46 0.894 -3.707 -6.117 342 H GLU 47 H GLU 47 -1.536 -4.194 -10.389 343 HA GLU 47 HA GLU 47 -1.643 -1.718 -11.855 344 HB2 GLU 47 2HB GLU 47 -2.504 -3.318 -13.723 345 HB3 GLU 47 3HB GLU 47 -0.880 -3.585 -12.962 346 HG2 GLU 47 2HG GLU 47 -1.535 -5.523 -11.782 347 HG3 GLU 47 3HG GLU 47 -3.212 -5.167 -11.985 348 H HIS 48 H HIS 48 -3.913 -3.109 -9.830 349 HA HIS 48 HA HIS 48 -6.239 -1.557 -10.985 350 HB2 HIS 48 2HB HIS 48 -5.991 -4.254 -9.612 351 HB3 HIS 48 3HB HIS 48 -7.500 -3.463 -9.803 352 HD2 HIS 48 2HD HIS 48 -5.285 -5.805 -11.453 353 HE1 HIS 48 1HE HIS 48 -7.191 -4.020 -14.799 354 HE2 HIS 48 2HE HIS 48 -5.483 -5.777 -14.049 355 H CYS 49 H CYS 49 -3.996 -1.858 -8.539 356 HA CYS 49 HA CYS 49 -5.620 -0.637 -6.391 357 HB2 CYS 49 2HB CYS 49 -3.572 -2.870 -6.347 358 HB3 CYS 49 3HB CYS 49 -4.165 -2.207 -4.992 359 H GLY 50 H GLY 50 -3.385 0.612 -8.340 360 HA2 GLY 50 1HA GLY 50 -1.510 1.310 -6.201 361 HA3 GLY 50 2HA GLY 50 -1.256 1.818 -7.775 362 H HIS 51 H HIS 51 -4.519 2.506 -6.933 363 HA HIS 51 HA HIS 51 -4.111 4.995 -5.457 364 HB2 HIS 51 2HB HIS 51 -6.456 4.921 -5.051 365 HB3 HIS 51 3HB HIS 51 -6.189 4.458 -6.731 366 HD2 HIS 51 2HD HIS 51 -8.136 3.419 -3.781 367 HE1 HIS 51 1HE HIS 51 -7.846 -0.143 -6.106 368 HE2 HIS 51 2HE HIS 51 -9.078 1.011 -4.186 369 H LEU 52 H LEU 52 -4.833 1.582 -4.613 370 HA LEU 52 HA LEU 52 -4.340 1.914 -1.791 371 HB2 LEU 52 2HB LEU 52 -4.763 -0.393 -3.695 372 HB3 LEU 52 3HB LEU 52 -3.858 -0.828 -2.395 373 HG LEU 52 HG LEU 52 -6.665 -0.642 -2.696 374 HD11 LEU 52 1HD1 LEU 52 -5.442 -2.213 -1.220 375 HD12 LEU 52 2HD1 LEU 52 -6.800 -1.460 -0.379 376 HD13 LEU 52 3HD1 LEU 52 -5.135 -0.905 -0.081 377 HD21 LEU 52 3HD2 LEU 52 -7.562 0.756 -1.005 378 HD22 LEU 52 1HD2 LEU 52 -6.598 1.782 -2.115 379 HD23 LEU 52 2HD2 LEU 52 -5.941 1.329 -0.533 380 H ILE 53 H ILE 53 -1.994 1.260 -4.414 381 HA ILE 53 HA ILE 53 0.164 1.257 -2.562 382 HB ILE 53 HB ILE 53 0.113 2.321 -5.412 383 HG12 ILE 53 2HG1 ILE 53 1.447 -0.184 -4.448 384 HG13 ILE 53 3HG1 ILE 53 -0.259 -0.267 -4.486 385 HG21 ILE 53 1HG2 ILE 53 1.994 3.315 -4.265 386 HG22 ILE 53 2HG2 ILE 53 2.428 1.754 -3.520 387 HG23 ILE 53 3HG2 ILE 53 2.593 1.997 -5.268 388 HD11 ILE 53 3HD1 ILE 53 -0.192 -0.241 -6.912 389 HD12 ILE 53 1HD1 ILE 53 1.378 0.609 -6.926 390 HD13 ILE 53 2HD1 ILE 53 1.280 -1.096 -6.467 391 H GLU 54 H GLU 54 -1.204 4.209 -4.189 392 HA GLU 54 HA GLU 54 0.595 6.067 -3.127 393 HB2 GLU 54 2HB GLU 54 -2.224 6.428 -4.105 394 HB3 GLU 54 3HB GLU 54 -1.158 7.756 -3.704 395 HG2 GLU 54 2HG GLU 54 -0.388 5.646 -5.763 396 HG3 GLU 54 3HG GLU 54 -1.363 7.056 -6.174 397 H ALA 55 H ALA 55 -2.709 5.263 -2.000 398 HA ALA 55 HA ALA 55 -2.808 7.127 0.100 399 HB1 ALA 55 1HB ALA 55 -4.779 5.916 -0.747 400 HB2 ALA 55 2HB ALA 55 -4.048 4.342 -0.356 401 HB3 ALA 55 3HB ALA 55 -4.573 5.407 0.943 402 H HIS 56 H HIS 56 -1.433 3.923 -0.084 403 HA HIS 56 HA HIS 56 -0.658 3.791 2.725 404 HB2 HIS 56 2HB HIS 56 -0.301 1.810 0.444 405 HB3 HIS 56 3HB HIS 56 0.039 1.527 2.113 406 HD2 HIS 56 2HD HIS 56 -2.427 -0.114 0.633 407 HE1 HIS 56 1HE HIS 56 -5.094 2.347 2.858 408 HE2 HIS 56 2HE HIS 56 -4.859 0.161 1.555 409 H LYS 57 H LYS 57 0.784 4.574 -0.321 410 HA LYS 57 HA LYS 57 3.435 4.243 0.131 411 HB2 LYS 57 2HB LYS 57 1.782 4.953 -1.822 412 HB3 LYS 57 3HB LYS 57 2.243 6.472 -1.639 413 HG2 LYS 57 2HG LYS 57 4.722 5.262 -1.931 414 HG3 LYS 57 3HG LYS 57 3.632 3.960 -2.461 415 HD2 LYS 57 2HD LYS 57 2.636 5.538 -4.147 416 HD3 LYS 57 3HD LYS 57 3.772 6.791 -3.632 417 HE2 LYS 57 2HE LYS 57 5.659 5.316 -4.396 418 HE3 LYS 57 3HE LYS 57 4.473 4.139 -4.967 419 HZ1 LYS 57 3HZ LYS 57 3.604 5.912 -6.484 420 HZ2 LYS 57 1HZ LYS 57 5.145 5.547 -6.793 421 HZ3 LYS 57 2HZ LYS 57 4.758 6.924 -5.983 422 H GLU 58 H GLU 58 1.456 7.076 0.791 423 HA GLU 58 HA GLU 58 3.410 8.813 1.923 424 HB2 GLU 58 2HB GLU 58 1.800 9.727 3.509 425 HB3 GLU 58 3HB GLU 58 1.331 9.810 1.818 426 HG2 GLU 58 2HG GLU 58 -0.258 8.260 2.005 427 HG3 GLU 58 3HG GLU 58 0.325 7.487 3.465 428 H CYS 59 H CYS 59 1.787 6.117 3.379 429 HA CYS 59 HA CYS 59 2.676 6.461 6.045 430 HB2 CYS 59 2HB CYS 59 0.633 5.276 5.054 431 HB3 CYS 59 3HB CYS 59 1.580 3.832 4.837 432 H MET 60 H MET 60 3.997 4.520 3.372 433 HA MET 60 HA MET 60 6.296 3.528 4.912 434 HB2 MET 60 2HB MET 60 5.692 3.806 1.930 435 HB3 MET 60 3HB MET 60 7.194 3.145 2.575 436 HG2 MET 60 2HG MET 60 5.840 1.460 3.870 437 HG3 MET 60 3HG MET 60 4.395 2.046 3.036 438 HE1 MET 60 3HE MET 60 5.375 -1.021 3.142 439 HE2 MET 60 1HE MET 60 3.883 -0.470 2.339 440 HE3 MET 60 2HE MET 60 5.039 -1.507 1.467 441 H ARG 61 H ARG 61 5.863 6.403 2.592 442 HA ARG 61 HA ARG 61 8.608 6.978 2.609 443 HB2 ARG 61 2HB ARG 61 8.136 8.645 1.276 444 HB3 ARG 61 3HB ARG 61 6.528 7.882 1.215 445 HG2 ARG 61 2HG ARG 61 5.838 9.587 2.961 446 HG3 ARG 61 3HG ARG 61 7.445 10.322 2.687 447 HD2 ARG 61 2HD ARG 61 5.265 9.808 0.592 448 HD3 ARG 61 3HD ARG 61 5.610 11.356 1.351 449 HE ARG 61 HE ARG 61 7.801 10.032 -0.224 450 HH11 ARG 61 1HH1 ARG 61 5.573 12.712 -0.125 451 HH12 ARG 61 2HH1 ARG 61 6.231 13.423 -1.574 452 HH21 ARG 61 1HH2 ARG 61 8.471 10.763 -2.027 453 HH22 ARG 61 2HH2 ARG 61 7.831 12.228 -2.745 454 H ALA 62 H ALA 62 6.224 8.233 4.893 455 HA ALA 62 HA ALA 62 7.825 10.119 6.264 456 HB1 ALA 62 1HB ALA 62 5.406 9.837 6.589 457 HB2 ALA 62 2HB ALA 62 5.669 8.240 7.326 458 HB3 ALA 62 3HB ALA 62 6.261 9.708 8.139 459 H LEU 63 H LEU 63 7.893 6.574 6.515 460 HA LEU 63 HA LEU 63 9.509 6.366 8.887 461 HB2 LEU 63 2HB LEU 63 9.237 4.460 6.540 462 HB3 LEU 63 3HB LEU 63 9.869 4.058 8.071 463 HG LEU 63 HG LEU 63 7.088 4.192 7.078 464 HD11 LEU 63 1HD1 LEU 63 8.385 2.630 9.337 465 HD12 LEU 63 2HD1 LEU 63 7.999 2.071 7.682 466 HD13 LEU 63 3HD1 LEU 63 6.705 2.442 8.803 467 HD21 LEU 63 3HD2 LEU 63 7.585 4.973 9.953 468 HD22 LEU 63 1HD2 LEU 63 6.005 4.517 9.217 469 HD23 LEU 63 2HD2 LEU 63 6.817 5.976 8.685 470 H GLY 64 H GLY 64 10.305 7.067 5.539 471 HA2 GLY 64 1HA GLY 64 12.492 7.722 4.836 472 HA3 GLY 64 2HA GLY 64 13.245 6.705 6.068 473 H PHE 65 H PHE 65 10.651 5.667 3.949 474 HA PHE 65 HA PHE 65 12.271 3.386 3.048 475 HB2 PHE 65 2HB PHE 65 9.315 4.190 3.177 476 HB3 PHE 65 3HB PHE 65 9.720 2.855 2.252 477 HD1 PHE 65 2HD PHE 65 11.258 3.418 5.693 478 HD2 PHE 65 1HD PHE 65 8.321 1.342 3.316 479 HE1 PHE 65 2HE PHE 65 11.022 1.713 7.448 480 HE2 PHE 65 1HE PHE 65 7.909 -0.187 5.177 481 HZ PHE 65 HZ PHE 65 9.359 -0.116 7.210 482 H LYS 66 H LYS 66 11.878 6.209 1.437 483 HA LYS 66 HA LYS 66 13.018 6.549 -0.439 484 HB2 LYS 66 2HB LYS 66 12.999 3.693 -1.262 485 HB3 LYS 66 3HB LYS 66 14.077 5.023 -1.702 486 HG2 LYS 66 2HG LYS 66 14.153 4.930 1.195 487 HG3 LYS 66 3HG LYS 66 14.123 3.276 0.629 488 HD2 LYS 66 2HD LYS 66 15.952 4.146 -1.013 489 HD3 LYS 66 3HD LYS 66 15.872 5.589 0.067 490 HE2 LYS 66 2HE LYS 66 16.793 4.380 1.894 491 HE3 LYS 66 3HE LYS 66 16.301 2.819 1.220 492 HZ1 LYS 66 3HZ LYS 66 18.008 2.957 -0.404 493 HZ2 LYS 66 1HZ LYS 66 18.687 3.229 1.068 494 HZ3 LYS 66 2HZ LYS 66 18.422 4.489 0.029 495 H ILE 67 H ILE 67 10.482 6.981 -0.263 496 HA ILE 67 HA ILE 67 9.118 6.508 -2.860 497 HB ILE 67 HB ILE 67 8.048 7.130 -0.132 498 HG12 ILE 67 2HG1 ILE 67 6.626 5.184 -0.124 499 HG13 ILE 67 3HG1 ILE 67 7.391 4.621 -1.607 500 HG21 ILE 67 1HG2 ILE 67 5.746 7.088 -1.043 501 HG22 ILE 67 2HG2 ILE 67 6.682 8.340 -1.812 502 HG23 ILE 67 3HG2 ILE 67 6.425 6.823 -2.673 503 HD11 ILE 67 3HD1 ILE 67 8.185 3.504 0.424 504 HD12 ILE 67 1HD1 ILE 67 9.447 4.227 -0.562 505 HD13 ILE 67 2HD1 ILE 67 8.898 5.051 0.940 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 36.164 -7.249 -7.716 2 H2 GLY 1 H2 GLY 1 35.045 -6.208 -8.295 3 H3 GLY 1 H3 GLY 1 35.115 -7.756 -8.866 4 HA2 GLY 1 2HA GLY 1 34.317 -6.870 -6.174 5 HA3 GLY 1 1HA GLY 1 33.263 -7.614 -7.397 6 H SER 2 H SER 2 33.351 -8.766 -4.901 7 HA SER 2 HA SER 2 34.515 -11.401 -5.427 8 HB2 SER 2 2HB SER 2 36.315 -10.187 -4.208 9 HB3 SER 2 3HB SER 2 35.172 -9.835 -2.893 10 HG SER 2 HG SER 2 36.543 -11.726 -2.617 11 H PHE 3 H PHE 3 33.559 -13.000 -3.994 12 HA PHE 3 HA PHE 3 31.020 -12.347 -2.648 13 HB2 PHE 3 2HB PHE 3 31.163 -14.083 -5.156 14 HB3 PHE 3 3HB PHE 3 29.740 -13.830 -4.164 15 HD1 PHE 3 2HD PHE 3 28.597 -11.591 -4.124 16 HD2 PHE 3 1HD PHE 3 31.830 -12.463 -6.844 17 HE1 PHE 3 2HE PHE 3 28.006 -9.593 -5.469 18 HE2 PHE 3 1HE PHE 3 31.222 -10.475 -8.196 19 HZ PHE 3 HZ PHE 3 29.320 -9.028 -7.505 20 H THR 4 H THR 4 30.073 -14.360 -1.632 21 HA THR 4 HA THR 4 32.225 -16.328 -1.014 22 HB THR 4 HB THR 4 30.906 -16.845 0.942 23 HG1 THR 4 1HG THR 4 29.438 -15.155 1.608 24 HG21 THR 4 1HG2 THR 4 32.857 -15.312 1.063 25 HG22 THR 4 2HG2 THR 4 31.613 -14.866 2.246 26 HG23 THR 4 3HG2 THR 4 31.791 -13.925 0.745 27 H MET 5 H MET 5 31.985 -17.595 -2.730 28 HA MET 5 HA MET 5 29.698 -18.895 -3.700 29 HB2 MET 5 2HB MET 5 32.620 -19.707 -3.757 30 HB3 MET 5 3HB MET 5 31.350 -20.680 -4.501 31 HG2 MET 5 2HG MET 5 32.270 -19.303 -6.206 32 HG3 MET 5 3HG MET 5 30.634 -18.747 -5.867 33 HE1 MET 5 3HE MET 5 32.507 -17.061 -7.667 34 HE2 MET 5 1HE MET 5 30.902 -16.492 -7.142 35 HE3 MET 5 2HE MET 5 32.315 -15.429 -6.987 36 HA PRO 6 HA PRO 6 29.880 -22.463 -0.617 37 HB2 PRO 6 2HB PRO 6 31.302 -22.411 1.694 38 HB3 PRO 6 3HB PRO 6 32.052 -22.854 0.129 39 HG2 PRO 6 2HG PRO 6 32.063 -20.145 1.499 40 HG3 PRO 6 3HG PRO 6 33.465 -21.055 0.846 41 HD2 PRO 6 2HD PRO 6 32.209 -19.098 -0.553 42 HD3 PRO 6 3HD PRO 6 32.884 -20.534 -1.376 43 H GLY 7 H GLY 7 29.264 -19.196 0.031 44 HA2 GLY 7 1HA GLY 7 27.585 -19.634 2.430 45 HA3 GLY 7 2HA GLY 7 27.788 -18.140 1.501 46 H LEU 8 H LEU 8 27.284 -20.570 -0.707 47 HA LEU 8 HA LEU 8 24.362 -20.615 -0.772 48 HB2 LEU 8 2HB LEU 8 24.796 -20.102 -3.401 49 HB3 LEU 8 3HB LEU 8 24.235 -18.887 -2.261 50 HG LEU 8 HG LEU 8 27.181 -19.181 -2.993 51 HD11 LEU 8 1HD1 LEU 8 25.937 -18.962 -5.097 52 HD12 LEU 8 2HD1 LEU 8 26.775 -17.460 -4.737 53 HD13 LEU 8 3HD1 LEU 8 25.032 -17.573 -4.446 54 HD21 LEU 8 3HD2 LEU 8 27.196 -16.720 -2.551 55 HD22 LEU 8 1HD2 LEU 8 26.663 -17.588 -1.125 56 HD23 LEU 8 2HD2 LEU 8 25.461 -16.783 -2.138 57 H VAL 9 H VAL 9 23.793 -22.098 -2.781 58 HA VAL 9 HA VAL 9 26.221 -22.425 -4.220 59 HB VAL 9 HB VAL 9 24.522 -24.913 -4.494 60 HG11 VAL 9 1HG1 VAL 9 26.093 -24.141 -6.227 61 HG12 VAL 9 2HG1 VAL 9 27.392 -24.041 -5.027 62 HG13 VAL 9 3HG1 VAL 9 26.694 -25.636 -5.459 63 HG21 VAL 9 3HG2 VAL 9 26.951 -24.745 -2.669 64 HG22 VAL 9 1HG2 VAL 9 25.283 -25.028 -2.135 65 HG23 VAL 9 2HG2 VAL 9 26.080 -26.210 -3.170 66 H ASP 10 H ASP 10 25.632 -20.879 -5.584 67 HA ASP 10 HA ASP 10 24.526 -19.496 -6.928 68 HB2 ASP 10 2HB ASP 10 24.640 -22.126 -8.208 69 HB3 ASP 10 3HB ASP 10 23.328 -21.166 -8.858 70 H SER 11 H SER 11 22.396 -21.359 -5.150 71 HA SER 11 HA SER 11 20.000 -19.956 -6.209 72 HB2 SER 11 2HB SER 11 20.572 -22.476 -6.663 73 HB3 SER 11 3HB SER 11 19.930 -22.727 -5.038 74 HG SER 11 HG SER 11 18.446 -22.818 -6.939 75 H ASN 12 H ASN 12 21.460 -18.908 -4.015 76 HA ASN 12 HA ASN 12 20.842 -17.604 -2.248 77 HB2 ASN 12 2HB ASN 12 18.457 -18.108 -3.391 78 HB3 ASN 12 3HB ASN 12 18.170 -18.863 -1.830 79 HD21 ASN 12 1HD2 ASN 12 19.753 -15.870 -3.155 80 HD22 ASN 12 2HD2 ASN 12 19.021 -14.851 -1.937 81 HA PRO 13 HA PRO 13 21.654 -20.033 1.288 82 HB2 PRO 13 2HB PRO 13 22.296 -18.096 3.007 83 HB3 PRO 13 3HB PRO 13 23.018 -18.095 1.363 84 HG2 PRO 13 2HG PRO 13 20.844 -16.334 2.352 85 HG3 PRO 13 3HG PRO 13 22.121 -15.982 1.180 86 HD2 PRO 13 2HD PRO 13 19.394 -16.938 0.740 87 HD3 PRO 13 3HD PRO 13 20.703 -16.603 -0.503 88 H ALA 14 H ALA 14 19.967 -21.261 1.664 89 HA ALA 14 HA ALA 14 19.053 -22.186 3.689 90 HB1 ALA 14 1HB ALA 14 17.137 -20.995 4.802 91 HB2 ALA 14 2HB ALA 14 18.717 -20.134 4.888 92 HB3 ALA 14 3HB ALA 14 17.482 -19.609 3.738 93 HA PRO 15 HA PRO 15 15.842 -23.765 0.923 94 HB2 PRO 15 2HB PRO 15 14.340 -25.278 2.648 95 HB3 PRO 15 3HB PRO 15 15.978 -25.761 2.130 96 HG2 PRO 15 2HG PRO 15 15.186 -24.313 4.671 97 HG3 PRO 15 3HG PRO 15 16.217 -25.768 4.512 98 HD2 PRO 15 2HD PRO 15 17.269 -23.272 4.731 99 HD3 PRO 15 3HD PRO 15 18.029 -24.508 3.671 100 HA PRO 16 HA PRO 16 12.570 -20.849 1.452 101 HB2 PRO 16 2HB PRO 16 10.402 -21.922 0.174 102 HB3 PRO 16 3HB PRO 16 11.944 -21.481 -0.608 103 HG2 PRO 16 2HG PRO 16 11.126 -24.237 0.382 104 HG3 PRO 16 3HG PRO 16 11.697 -23.790 -1.260 105 HD2 PRO 16 2HD PRO 16 13.401 -24.758 0.612 106 HD3 PRO 16 3HD PRO 16 13.910 -23.460 -0.506 107 H GLU 17 H GLU 17 12.942 -22.076 3.880 108 HA GLU 17 HA GLU 17 10.428 -22.788 5.148 109 HB2 GLU 17 2HB GLU 17 11.748 -23.158 7.010 110 HB3 GLU 17 3HB GLU 17 12.696 -23.725 5.654 111 HG2 GLU 17 2HG GLU 17 13.945 -21.534 5.737 112 HG3 GLU 17 3HG GLU 17 13.029 -21.119 7.175 113 H SER 18 H SER 18 12.129 -19.815 4.513 114 HA SER 18 HA SER 18 10.075 -18.195 5.887 115 HB2 SER 18 2HB SER 18 12.801 -18.410 6.839 116 HB3 SER 18 3HB SER 18 11.889 -16.958 7.148 117 HG SER 18 HG SER 18 10.740 -19.477 7.725 118 H GLN 19 H GLN 19 13.448 -18.040 4.952 119 HA GLN 19 HA GLN 19 14.811 -16.596 4.074 120 HB2 GLN 19 2HB GLN 19 12.947 -17.437 2.215 121 HB3 GLN 19 3HB GLN 19 12.839 -15.710 2.130 122 HG2 GLN 19 2HG GLN 19 14.514 -16.502 0.490 123 HG3 GLN 19 3HG GLN 19 15.480 -15.792 1.798 124 HE21 GLN 19 1HE2 GLN 19 16.642 -17.751 0.058 125 HE22 GLN 19 2HE2 GLN 19 16.720 -19.305 0.937 126 H GLU 20 H GLU 20 12.154 -15.120 5.548 127 HA GLU 20 HA GLU 20 13.704 -12.572 5.687 128 HB2 GLU 20 2HB GLU 20 11.578 -12.409 4.297 129 HB3 GLU 20 3HB GLU 20 10.673 -12.767 5.771 130 HG2 GLU 20 2HG GLU 20 11.844 -10.731 6.820 131 HG3 GLU 20 3HG GLU 20 12.494 -10.374 5.227 132 H LYS 21 H LYS 21 14.460 -12.257 7.685 133 HA LYS 21 HA LYS 21 13.771 -13.925 9.903 134 HB2 LYS 21 2HB LYS 21 16.014 -12.898 9.227 135 HB3 LYS 21 3HB LYS 21 15.516 -11.429 10.041 136 HG2 LYS 21 2HG LYS 21 15.319 -14.004 11.610 137 HG3 LYS 21 3HG LYS 21 16.928 -13.513 11.109 138 HD2 LYS 21 2HD LYS 21 16.595 -11.298 12.250 139 HD3 LYS 21 3HD LYS 21 15.075 -11.938 12.924 140 HE2 LYS 21 2HE LYS 21 16.352 -13.841 13.933 141 HE3 LYS 21 3HE LYS 21 17.841 -13.230 13.225 142 HZ1 LYS 21 3HZ LYS 21 17.634 -11.240 14.657 143 HZ2 LYS 21 1HZ LYS 21 17.685 -12.608 15.537 144 HZ3 LYS 21 2HZ LYS 21 16.268 -11.871 15.344 145 H LYS 22 H LYS 22 11.487 -13.409 9.900 146 HA LYS 22 HA LYS 22 10.528 -10.882 11.042 147 HB2 LYS 22 2HB LYS 22 9.195 -13.390 9.994 148 HB3 LYS 22 3HB LYS 22 8.303 -11.974 10.542 149 HG2 LYS 22 2HG LYS 22 9.039 -10.641 8.729 150 HG3 LYS 22 3HG LYS 22 10.362 -11.739 8.332 151 HD2 LYS 22 2HD LYS 22 8.644 -12.083 6.672 152 HD3 LYS 22 3HD LYS 22 8.737 -13.506 7.710 153 HE2 LYS 22 2HE LYS 22 6.835 -12.002 9.025 154 HE3 LYS 22 3HE LYS 22 6.568 -11.471 7.358 155 HZ1 LYS 22 3HZ LYS 22 6.563 -14.265 8.350 156 HZ2 LYS 22 1HZ LYS 22 6.357 -13.857 6.762 157 HZ3 LYS 22 2HZ LYS 22 5.224 -13.414 7.853 158 HA PRO 23 HA PRO 23 10.169 -13.196 15.057 159 HB2 PRO 23 2HB PRO 23 10.922 -11.253 16.805 160 HB3 PRO 23 3HB PRO 23 12.120 -12.160 15.820 161 HG2 PRO 23 2HG PRO 23 10.863 -9.453 15.178 162 HG3 PRO 23 3HG PRO 23 12.617 -9.863 15.250 163 HD2 PRO 23 2HD PRO 23 11.271 -9.890 12.894 164 HD3 PRO 23 3HD PRO 23 12.488 -11.145 13.290 165 H LEU 24 H LEU 24 8.801 -12.869 16.921 166 HA LEU 24 HA LEU 24 6.341 -11.370 16.566 167 HB2 LEU 24 2HB LEU 24 7.519 -13.064 18.781 168 HB3 LEU 24 3HB LEU 24 6.059 -12.122 19.049 169 HG LEU 24 HG LEU 24 6.286 -14.164 16.806 170 HD11 LEU 24 1HD1 LEU 24 5.084 -14.456 19.596 171 HD12 LEU 24 2HD1 LEU 24 6.548 -15.271 18.992 172 HD13 LEU 24 3HD1 LEU 24 4.971 -15.648 18.279 173 HD21 LEU 24 3HD2 LEU 24 4.487 -12.498 16.458 174 HD22 LEU 24 1HD2 LEU 24 3.895 -12.770 18.113 175 HD23 LEU 24 2HD2 LEU 24 3.794 -14.059 16.897 176 H LYS 25 H LYS 25 7.140 -9.339 16.183 177 HA LYS 25 HA LYS 25 6.898 -7.751 18.684 178 HB2 LYS 25 2HB LYS 25 8.531 -6.873 16.251 179 HB3 LYS 25 3HB LYS 25 8.105 -5.848 17.619 180 HG2 LYS 25 2HG LYS 25 9.420 -7.454 19.113 181 HG3 LYS 25 3HG LYS 25 10.000 -8.221 17.624 182 HD2 LYS 25 2HD LYS 25 10.850 -5.930 16.883 183 HD3 LYS 25 3HD LYS 25 10.417 -5.321 18.495 184 HE2 LYS 25 2HE LYS 25 11.922 -7.058 19.506 185 HE3 LYS 25 3HE LYS 25 12.391 -7.563 17.877 186 HZ1 LYS 25 3HZ LYS 25 12.951 -4.856 17.887 187 HZ2 LYS 25 1HZ LYS 25 14.023 -6.048 18.123 188 HZ3 LYS 25 2HZ LYS 25 13.340 -5.331 19.409 189 HA PRO 26 HA PRO 26 3.231 -6.496 16.493 190 HB2 PRO 26 2HB PRO 26 2.859 -3.820 17.131 191 HB3 PRO 26 3HB PRO 26 2.494 -5.199 18.207 192 HG2 PRO 26 2HG PRO 26 4.976 -3.469 18.165 193 HG3 PRO 26 3HG PRO 26 4.025 -4.010 19.581 194 HD2 PRO 26 2HD PRO 26 6.316 -5.266 18.860 195 HD3 PRO 26 3HD PRO 26 4.915 -6.201 19.457 196 H CYS 27 H CYS 27 5.873 -4.225 16.148 197 HA CYS 27 HA CYS 27 6.971 -3.252 14.477 198 HB2 CYS 27 2HB CYS 27 6.527 -5.329 13.137 199 HB3 CYS 27 3HB CYS 27 5.144 -4.496 12.406 200 HG CYS 27 HG CYS 27 7.764 -4.601 11.098 201 H CYS 28 H CYS 28 6.748 -1.410 12.925 202 HA CYS 28 HA CYS 28 4.335 0.218 13.622 203 HB2 CYS 28 2HB CYS 28 6.512 0.399 15.072 204 HB3 CYS 28 3HB CYS 28 7.158 1.318 13.699 205 HG CYS 28 HG CYS 28 6.342 3.003 15.527 206 H ALA 29 H ALA 29 5.874 -0.952 10.944 207 HA ALA 29 HA ALA 29 5.741 1.485 9.318 208 HB1 ALA 29 1HB ALA 29 6.213 -1.399 8.529 209 HB2 ALA 29 2HB ALA 29 6.347 0.021 7.476 210 HB3 ALA 29 3HB ALA 29 7.467 -0.169 8.849 211 H CYS 30 H CYS 30 3.422 1.769 10.121 212 HA CYS 30 HA CYS 30 1.058 1.716 9.711 213 HB2 CYS 30 2HB CYS 30 2.356 1.791 7.010 214 HB3 CYS 30 3HB CYS 30 0.709 2.267 7.376 215 HA PRO 31 HA PRO 31 0.573 -3.019 8.688 216 HB2 PRO 31 2HB PRO 31 -1.104 -3.193 10.855 217 HB3 PRO 31 3HB PRO 31 0.628 -3.624 10.883 218 HG2 PRO 31 2HG PRO 31 -0.684 -1.038 11.770 219 HG3 PRO 31 3HG PRO 31 0.589 -1.975 12.597 220 HD2 PRO 31 2HD PRO 31 1.247 0.197 11.112 221 HD3 PRO 31 3HD PRO 31 2.252 -1.292 11.023 222 H GLU 32 H GLU 32 -1.947 -0.708 9.903 223 HA GLU 32 HA GLU 32 -3.954 -1.891 8.438 224 HB2 GLU 32 2HB GLU 32 -4.496 0.885 8.082 225 HB3 GLU 32 3HB GLU 32 -5.156 -0.221 9.216 226 HG2 GLU 32 2HG GLU 32 -3.024 0.506 10.723 227 HG3 GLU 32 3HG GLU 32 -2.891 1.785 9.546 228 H THR 33 H THR 33 -1.717 0.541 7.188 229 HA THR 33 HA THR 33 -3.106 0.675 4.695 230 HB THR 33 HB THR 33 -1.339 2.141 3.941 231 HG1 THR 33 1HG THR 33 0.185 1.118 6.026 232 HG21 THR 33 1HG2 THR 33 -1.532 3.877 5.469 233 HG22 THR 33 2HG2 THR 33 -1.619 2.779 6.871 234 HG23 THR 33 3HG2 THR 33 -2.975 2.918 5.732 235 H LYS 34 H LYS 34 0.073 -0.816 5.522 236 HA LYS 34 HA LYS 34 0.701 -2.060 3.075 237 HB2 LYS 34 2HB LYS 34 2.265 -1.852 4.956 238 HB3 LYS 34 3HB LYS 34 1.106 -2.767 6.042 239 HG2 LYS 34 2HG LYS 34 2.811 -4.006 3.813 240 HG3 LYS 34 3HG LYS 34 3.025 -3.999 5.560 241 HD2 LYS 34 2HD LYS 34 0.947 -5.188 5.855 242 HD3 LYS 34 3HD LYS 34 0.865 -5.499 4.108 243 HE2 LYS 34 2HE LYS 34 3.120 -6.369 5.904 244 HE3 LYS 34 3HE LYS 34 1.680 -7.348 5.582 245 HZ1 LYS 34 3HZ LYS 34 2.264 -7.071 3.117 246 HZ2 LYS 34 1HZ LYS 34 3.416 -7.937 3.920 247 HZ3 LYS 34 2HZ LYS 34 3.651 -6.358 3.537 248 H LYS 35 H LYS 35 -0.769 -3.546 5.846 249 HA LYS 35 HA LYS 35 -1.565 -5.962 4.725 250 HB2 LYS 35 2HB LYS 35 -1.324 -4.927 7.129 251 HB3 LYS 35 3HB LYS 35 -2.961 -4.604 7.121 252 HG2 LYS 35 2HG LYS 35 -2.513 -6.665 8.249 253 HG3 LYS 35 3HG LYS 35 -3.180 -7.272 6.732 254 HD2 LYS 35 2HD LYS 35 -1.201 -8.057 5.944 255 HD3 LYS 35 3HD LYS 35 -0.263 -6.746 6.609 256 HE2 LYS 35 2HE LYS 35 -1.117 -9.224 8.013 257 HE3 LYS 35 3HE LYS 35 0.527 -8.645 7.522 258 HZ1 LYS 35 3HZ LYS 35 0.275 -8.224 9.876 259 HZ2 LYS 35 1HZ LYS 35 -1.164 -7.481 9.721 260 HZ3 LYS 35 2HZ LYS 35 0.191 -6.786 9.142 261 H ALA 36 H ALA 36 -3.627 -3.119 5.087 262 HA ALA 36 HA ALA 36 -5.806 -4.187 3.501 263 HB1 ALA 36 1HB ALA 36 -4.968 -1.269 3.749 264 HB2 ALA 36 2HB ALA 36 -6.519 -1.874 3.138 265 HB3 ALA 36 3HB ALA 36 -6.082 -2.147 4.829 266 H ARG 37 H ARG 37 -2.913 -2.332 2.355 267 HA ARG 37 HA ARG 37 -3.337 -2.155 -0.445 268 HB2 ARG 37 2HB ARG 37 -1.046 -1.723 1.040 269 HB3 ARG 37 3HB ARG 37 -0.626 -3.272 0.511 270 HG2 ARG 37 2HG ARG 37 -1.701 -1.775 -1.704 271 HG3 ARG 37 3HG ARG 37 -0.489 -0.863 -0.864 272 HD2 ARG 37 2HD ARG 37 0.152 -2.235 -2.941 273 HD3 ARG 37 3HD ARG 37 1.062 -2.039 -1.488 274 HE ARG 37 HE ARG 37 -0.051 -4.450 -1.090 275 HH11 ARG 37 1HH1 ARG 37 2.544 -3.328 -3.329 276 HH12 ARG 37 2HH1 ARG 37 3.773 -3.917 -2.258 277 HH21 ARG 37 1HH2 ARG 37 1.842 -5.999 -0.600 278 HH22 ARG 37 2HH2 ARG 37 3.410 -5.467 -1.147 279 H ASP 38 H ASP 38 -1.807 -4.734 1.289 280 HA ASP 38 HA ASP 38 -1.161 -6.128 -0.921 281 HB2 ASP 38 2HB ASP 38 -1.185 -6.507 2.009 282 HB3 ASP 38 3HB ASP 38 -1.412 -8.073 1.222 283 H ALA 39 H ALA 39 -4.022 -6.479 1.220 284 HA ALA 39 HA ALA 39 -5.315 -8.734 0.165 285 HB1 ALA 39 1HB ALA 39 -7.265 -7.773 1.353 286 HB2 ALA 39 2HB ALA 39 -5.800 -7.468 2.317 287 HB3 ALA 39 3HB ALA 39 -6.510 -6.170 1.316 288 H CYS 40 H CYS 40 -5.613 -5.276 -0.979 289 HA CYS 40 HA CYS 40 -7.551 -5.930 -3.049 290 HB2 CYS 40 2HB CYS 40 -6.950 -3.679 -2.062 291 HB3 CYS 40 3HB CYS 40 -5.410 -3.805 -2.843 292 H ILE 41 H ILE 41 -3.990 -5.576 -2.970 293 HA ILE 41 HA ILE 41 -3.440 -6.054 -5.704 294 HB ILE 41 HB ILE 41 -1.773 -6.269 -3.213 295 HG12 ILE 41 2HG1 ILE 41 -0.540 -4.484 -4.529 296 HG13 ILE 41 3HG1 ILE 41 -1.807 -4.454 -5.669 297 HG21 ILE 41 1HG2 ILE 41 0.228 -6.593 -4.669 298 HG22 ILE 41 2HG2 ILE 41 -0.809 -8.005 -4.632 299 HG23 ILE 41 3HG2 ILE 41 -0.847 -6.928 -6.043 300 HD11 ILE 41 3HD1 ILE 41 -3.339 -3.727 -3.797 301 HD12 ILE 41 1HD1 ILE 41 -1.871 -3.680 -2.813 302 HD13 ILE 41 2HD1 ILE 41 -2.024 -2.603 -4.199 303 H ILE 42 H ILE 42 -3.608 -8.404 -3.067 304 HA ILE 42 HA ILE 42 -2.947 -10.840 -4.228 305 HB ILE 42 HB ILE 42 -4.894 -9.882 -2.111 306 HG12 ILE 42 2HG1 ILE 42 -2.474 -11.728 -2.019 307 HG13 ILE 42 3HG1 ILE 42 -2.375 -9.994 -1.763 308 HG21 ILE 42 1HG2 ILE 42 -6.156 -11.722 -2.959 309 HG22 ILE 42 2HG2 ILE 42 -4.728 -12.796 -2.922 310 HG23 ILE 42 3HG2 ILE 42 -5.454 -12.182 -1.418 311 HD11 ILE 42 3HD1 ILE 42 -2.287 -11.110 0.360 312 HD12 ILE 42 1HD1 ILE 42 -3.843 -10.278 0.264 313 HD13 ILE 42 2HD1 ILE 42 -3.752 -12.040 0.029 314 H GLU 43 H GLU 43 -5.925 -9.046 -4.587 315 HA GLU 43 HA GLU 43 -7.447 -11.237 -5.754 316 HB2 GLU 43 2HB GLU 43 -7.681 -9.262 -3.818 317 HB3 GLU 43 3HB GLU 43 -8.477 -8.471 -5.124 318 HG2 GLU 43 2HG GLU 43 -9.227 -11.263 -4.181 319 HG3 GLU 43 3HG GLU 43 -9.643 -9.758 -3.360 320 H LYS 44 H LYS 44 -6.717 -7.807 -6.445 321 HA LYS 44 HA LYS 44 -7.488 -8.218 -9.338 322 HB2 LYS 44 2HB LYS 44 -7.043 -5.572 -7.920 323 HB3 LYS 44 3HB LYS 44 -7.835 -5.878 -9.467 324 HG2 LYS 44 2HG LYS 44 -8.901 -6.597 -6.712 325 HG3 LYS 44 3HG LYS 44 -9.487 -5.333 -7.795 326 HD2 LYS 44 2HD LYS 44 -10.053 -7.063 -9.497 327 HD3 LYS 44 3HD LYS 44 -9.492 -8.315 -8.376 328 HE2 LYS 44 2HE LYS 44 -11.176 -7.150 -6.685 329 HE3 LYS 44 3HE LYS 44 -11.965 -6.594 -8.172 330 HZ1 LYS 44 3HZ LYS 44 -11.393 -9.389 -7.333 331 HZ2 LYS 44 1HZ LYS 44 -12.014 -9.079 -8.791 332 HZ3 LYS 44 2HZ LYS 44 -12.854 -8.745 -7.384 333 H GLY 45 H GLY 45 -4.920 -6.799 -7.445 334 HA2 GLY 45 1HA GLY 45 -2.568 -7.242 -8.239 335 HA3 GLY 45 2HA GLY 45 -3.095 -6.782 -9.854 336 H GLU 46 H GLU 46 -0.953 -5.526 -8.729 337 HA GLU 46 HA GLU 46 -1.525 -3.031 -7.294 338 HB2 GLU 46 2HB GLU 46 0.878 -4.122 -8.824 339 HB3 GLU 46 3HB GLU 46 0.800 -2.425 -8.363 340 HG2 GLU 46 2HG GLU 46 0.304 -3.142 -5.986 341 HG3 GLU 46 3HG GLU 46 0.722 -4.803 -6.466 342 H GLU 47 H GLU 47 -1.370 -4.018 -10.663 343 HA GLU 47 HA GLU 47 -1.669 -1.502 -11.860 344 HB2 GLU 47 2HB GLU 47 -2.201 -2.718 -13.819 345 HB3 GLU 47 3HB GLU 47 -1.109 -3.748 -12.908 346 HG2 GLU 47 2HG GLU 47 -3.235 -4.858 -11.917 347 HG3 GLU 47 3HG GLU 47 -4.117 -3.958 -13.164 348 H HIS 48 H HIS 48 -4.043 -3.146 -9.881 349 HA HIS 48 HA HIS 48 -6.324 -1.529 -10.960 350 HB2 HIS 48 2HB HIS 48 -6.040 -4.336 -9.835 351 HB3 HIS 48 3HB HIS 48 -7.587 -3.528 -9.852 352 HD2 HIS 48 2HD HIS 48 -5.579 -5.766 -11.855 353 HE1 HIS 48 1HE HIS 48 -7.843 -3.674 -14.815 354 HE2 HIS 48 2HE HIS 48 -6.296 -5.644 -14.425 355 H CYS 49 H CYS 49 -4.112 -1.897 -8.513 356 HA CYS 49 HA CYS 49 -5.812 -0.858 -6.329 357 HB2 CYS 49 2HB CYS 49 -3.711 -3.050 -6.331 358 HB3 CYS 49 3HB CYS 49 -4.353 -2.396 -4.990 359 H GLY 50 H GLY 50 -3.691 0.428 -8.300 360 HA2 GLY 50 1HA GLY 50 -1.680 1.088 -6.274 361 HA3 GLY 50 2HA GLY 50 -1.538 1.598 -7.882 362 H HIS 51 H HIS 51 -4.722 2.411 -6.911 363 HA HIS 51 HA HIS 51 -4.158 4.852 -5.397 364 HB2 HIS 51 2HB HIS 51 -6.485 4.761 -4.813 365 HB3 HIS 51 3HB HIS 51 -6.308 4.400 -6.535 366 HD2 HIS 51 2HD HIS 51 -8.411 3.321 -3.839 367 HE1 HIS 51 1HE HIS 51 -7.920 -0.240 -6.102 368 HE2 HIS 51 2HE HIS 51 -9.395 0.975 -4.411 369 H LEU 52 H LEU 52 -4.818 1.441 -4.590 370 HA LEU 52 HA LEU 52 -4.228 1.800 -1.758 371 HB2 LEU 52 2HB LEU 52 -4.867 -0.508 -3.643 372 HB3 LEU 52 3HB LEU 52 -3.960 -1.000 -2.368 373 HG LEU 52 HG LEU 52 -6.757 -0.644 -2.614 374 HD11 LEU 52 1HD1 LEU 52 -5.574 -2.256 -1.077 375 HD12 LEU 52 2HD1 LEU 52 -6.934 -1.435 -0.303 376 HD13 LEU 52 3HD1 LEU 52 -5.264 -0.925 0.031 377 HD21 LEU 52 3HD2 LEU 52 -6.546 1.755 -2.110 378 HD22 LEU 52 1HD2 LEU 52 -5.854 1.347 -0.532 379 HD23 LEU 52 2HD2 LEU 52 -7.517 0.843 -0.918 380 H ILE 53 H ILE 53 -2.086 1.285 -4.495 381 HA ILE 53 HA ILE 53 0.148 0.946 -2.644 382 HB ILE 53 HB ILE 53 0.142 2.113 -5.442 383 HG12 ILE 53 2HG1 ILE 53 1.265 -0.577 -4.761 384 HG13 ILE 53 3HG1 ILE 53 -0.440 -0.484 -4.664 385 HG21 ILE 53 1HG2 ILE 53 2.585 1.555 -5.359 386 HG22 ILE 53 2HG2 ILE 53 2.146 2.808 -4.194 387 HG23 ILE 53 3HG2 ILE 53 2.397 1.123 -3.642 388 HD11 ILE 53 3HD1 ILE 53 0.415 0.747 -7.179 389 HD12 ILE 53 1HD1 ILE 53 1.429 -0.660 -6.935 390 HD13 ILE 53 2HD1 ILE 53 -0.342 -0.849 -6.967 391 H GLU 54 H GLU 54 -1.082 3.910 -4.346 392 HA GLU 54 HA GLU 54 0.887 5.653 -3.392 393 HB2 GLU 54 2HB GLU 54 -1.962 6.204 -4.269 394 HB3 GLU 54 3HB GLU 54 -0.751 7.452 -4.058 395 HG2 GLU 54 2HG GLU 54 -0.146 5.129 -5.932 396 HG3 GLU 54 3HG GLU 54 -1.260 6.396 -6.449 397 H ALA 55 H ALA 55 -2.402 5.086 -2.127 398 HA ALA 55 HA ALA 55 -2.417 7.073 -0.139 399 HB1 ALA 55 1HB ALA 55 -4.417 5.836 -0.841 400 HB2 ALA 55 2HB ALA 55 -3.721 4.278 -0.354 401 HB3 ALA 55 3HB ALA 55 -4.170 5.486 0.882 402 H HIS 56 H HIS 56 -1.322 3.781 -0.160 403 HA HIS 56 HA HIS 56 -0.449 3.619 2.614 404 HB2 HIS 56 2HB HIS 56 -0.377 1.603 0.305 405 HB3 HIS 56 3HB HIS 56 0.019 1.305 1.977 406 HD2 HIS 56 2HD HIS 56 -2.551 -0.178 0.615 407 HE1 HIS 56 1HE HIS 56 -5.056 2.534 2.741 408 HE2 HIS 56 2HE HIS 56 -4.974 0.294 1.531 409 H LYS 57 H LYS 57 1.036 4.080 -0.525 410 HA LYS 57 HA LYS 57 3.654 3.685 -0.057 411 HB2 LYS 57 2HB LYS 57 2.059 4.342 -2.100 412 HB3 LYS 57 3HB LYS 57 2.520 5.907 -1.874 413 HG2 LYS 57 2HG LYS 57 4.974 4.711 -1.931 414 HG3 LYS 57 3HG LYS 57 3.960 3.432 -2.630 415 HD2 LYS 57 2HD LYS 57 3.266 5.061 -4.440 416 HD3 LYS 57 3HD LYS 57 4.281 6.298 -3.690 417 HE2 LYS 57 2HE LYS 57 6.202 4.467 -3.989 418 HE3 LYS 57 3HE LYS 57 5.082 3.808 -5.195 419 HZ1 LYS 57 3HZ LYS 57 5.174 6.385 -5.939 420 HZ2 LYS 57 1HZ LYS 57 6.242 5.251 -6.487 421 HZ3 LYS 57 2HZ LYS 57 6.691 6.214 -5.259 422 H GLU 58 H GLU 58 1.866 6.835 0.155 423 HA GLU 58 HA GLU 58 3.806 8.313 1.414 424 HB2 GLU 58 2HB GLU 58 0.933 8.445 0.992 425 HB3 GLU 58 3HB GLU 58 1.180 8.698 2.719 426 HG2 GLU 58 2HG GLU 58 3.039 10.151 2.221 427 HG3 GLU 58 3HG GLU 58 2.786 9.989 0.550 428 H CYS 59 H CYS 59 1.604 5.992 2.809 429 HA CYS 59 HA CYS 59 2.246 6.874 5.305 430 HB2 CYS 59 2HB CYS 59 0.236 5.548 4.662 431 HB3 CYS 59 3HB CYS 59 1.128 4.057 4.594 432 H MET 60 H MET 60 3.585 4.180 3.416 433 HA MET 60 HA MET 60 5.662 3.310 5.181 434 HB2 MET 60 2HB MET 60 5.360 3.346 2.150 435 HB3 MET 60 3HB MET 60 6.778 2.677 2.945 436 HG2 MET 60 2HG MET 60 5.295 1.179 4.288 437 HG3 MET 60 3HG MET 60 3.902 1.800 3.400 438 HE1 MET 60 3HE MET 60 3.132 -0.590 2.839 439 HE2 MET 60 1HE MET 60 4.137 -1.829 2.053 440 HE3 MET 60 2HE MET 60 4.519 -1.295 3.708 441 H ARG 61 H ARG 61 5.805 6.070 2.787 442 HA ARG 61 HA ARG 61 8.624 6.500 3.092 443 HB2 ARG 61 2HB ARG 61 8.362 8.182 1.652 444 HB3 ARG 61 3HB ARG 61 6.723 7.546 1.457 445 HG2 ARG 61 2HG ARG 61 5.922 9.199 3.130 446 HG3 ARG 61 3HG ARG 61 7.556 9.821 3.293 447 HD2 ARG 61 2HD ARG 61 6.055 9.813 0.655 448 HD3 ARG 61 3HD ARG 61 5.867 11.084 1.843 449 HE ARG 61 HE ARG 61 7.904 10.948 -0.091 450 HH11 ARG 61 1HH1 ARG 61 7.887 11.796 3.390 451 HH12 ARG 61 2HH1 ARG 61 9.306 12.805 3.093 452 HH21 ARG 61 1HH2 ARG 61 9.519 12.422 -0.186 453 HH22 ARG 61 2HH2 ARG 61 10.197 13.043 1.317 454 H ALA 62 H ALA 62 6.047 7.626 5.102 455 HA ALA 62 HA ALA 62 7.237 9.619 6.613 456 HB1 ALA 62 1HB ALA 62 5.729 8.939 8.434 457 HB2 ALA 62 2HB ALA 62 4.907 8.823 6.865 458 HB3 ALA 62 3HB ALA 62 5.495 7.353 7.672 459 H LEU 63 H LEU 63 7.962 6.170 6.898 460 HA LEU 63 HA LEU 63 9.573 6.108 9.249 461 HB2 LEU 63 2HB LEU 63 9.341 4.514 6.674 462 HB3 LEU 63 3HB LEU 63 10.567 4.100 7.802 463 HG LEU 63 HG LEU 63 8.320 2.819 7.835 464 HD11 LEU 63 1HD1 LEU 63 9.609 3.863 10.374 465 HD12 LEU 63 2HD1 LEU 63 10.188 2.529 9.354 466 HD13 LEU 63 3HD1 LEU 63 8.639 2.371 10.225 467 HD21 LEU 63 3HD2 LEU 63 7.445 5.119 9.625 468 HD22 LEU 63 1HD2 LEU 63 6.635 3.560 9.435 469 HD23 LEU 63 2HD2 LEU 63 6.718 4.660 8.060 470 H GLY 64 H GLY 64 10.261 7.710 6.337 471 HA2 GLY 64 1HA GLY 64 12.133 8.459 5.291 472 HA3 GLY 64 2HA GLY 64 13.192 7.824 6.592 473 H PHE 65 H PHE 65 10.743 5.848 4.996 474 HA PHE 65 HA PHE 65 12.695 4.299 3.438 475 HB2 PHE 65 2HB PHE 65 9.685 4.272 3.355 476 HB3 PHE 65 3HB PHE 65 10.731 3.140 2.540 477 HD1 PHE 65 2HD PHE 65 12.598 3.059 5.321 478 HD2 PHE 65 1HD PHE 65 8.516 2.257 4.202 479 HE1 PHE 65 2HE PHE 65 12.400 1.431 7.171 480 HE2 PHE 65 1HE PHE 65 8.312 0.661 6.070 481 HZ PHE 65 HZ PHE 65 10.266 0.231 7.565 482 H LYS 66 H LYS 66 12.686 4.382 1.075 483 HA LYS 66 HA LYS 66 11.989 7.005 0.005 484 HB2 LYS 66 2HB LYS 66 14.157 5.129 -0.925 485 HB3 LYS 66 3HB LYS 66 13.953 6.873 -1.230 486 HG2 LYS 66 2HG LYS 66 13.917 7.008 1.442 487 HG3 LYS 66 3HG LYS 66 14.707 5.441 1.347 488 HD2 LYS 66 2HD LYS 66 15.516 8.141 0.346 489 HD3 LYS 66 3HD LYS 66 16.286 7.151 1.613 490 HE2 LYS 66 2HE LYS 66 17.251 5.663 0.005 491 HE3 LYS 66 3HE LYS 66 16.238 6.288 -1.312 492 HZ1 LYS 66 3HZ LYS 66 18.360 7.849 0.050 493 HZ2 LYS 66 1HZ LYS 66 17.477 8.356 -1.258 494 HZ3 LYS 66 2HZ LYS 66 18.541 7.103 -1.360 495 H ILE 67 H ILE 67 10.385 7.129 -0.994 496 HA ILE 67 HA ILE 67 9.176 4.984 -2.557 497 HB ILE 67 HB ILE 67 8.454 6.899 -0.380 498 HG12 ILE 67 2HG1 ILE 67 6.816 5.058 0.126 499 HG13 ILE 67 3HG1 ILE 67 7.488 4.173 -1.250 500 HG21 ILE 67 1HG2 ILE 67 6.049 6.972 -0.821 501 HG22 ILE 67 2HG2 ILE 67 7.004 7.948 -1.952 502 HG23 ILE 67 3HG2 ILE 67 6.358 6.386 -2.479 503 HD11 ILE 67 3HD1 ILE 67 9.077 5.080 1.162 504 HD12 ILE 67 1HD1 ILE 67 8.336 3.478 0.999 505 HD13 ILE 67 2HD1 ILE 67 9.615 3.958 -0.119 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 8.661 -12.346 -32.128 2 H2 GLY 1 H2 GLY 1 9.257 -12.280 -30.594 3 H3 GLY 1 H3 GLY 1 9.325 -10.960 -31.568 4 HA2 GLY 1 2HA GLY 1 6.815 -12.176 -30.619 5 HA3 GLY 1 1HA GLY 1 7.573 -10.718 -29.944 6 H SER 2 H SER 2 5.523 -9.650 -30.519 7 HA SER 2 HA SER 2 5.976 -7.950 -32.708 8 HB2 SER 2 2HB SER 2 4.006 -8.299 -34.142 9 HB3 SER 2 3HB SER 2 5.147 -9.637 -34.253 10 HG SER 2 HG SER 2 2.910 -10.227 -34.085 11 H PHE 3 H PHE 3 2.917 -9.209 -31.318 12 HA PHE 3 HA PHE 3 2.080 -6.612 -30.228 13 HB2 PHE 3 2HB PHE 3 1.159 -9.469 -29.642 14 HB3 PHE 3 3HB PHE 3 0.383 -8.018 -29.038 15 HD1 PHE 3 1HD PHE 3 -0.940 -6.554 -30.509 16 HD2 PHE 3 2HD PHE 3 0.859 -10.189 -31.983 17 HE1 PHE 3 1HE PHE 3 -2.465 -6.518 -32.467 18 HE2 PHE 3 2HE PHE 3 -0.635 -10.126 -33.956 19 HZ PHE 3 HZ PHE 3 -2.313 -8.305 -34.198 20 H THR 4 H THR 4 3.693 -9.496 -29.021 21 HA THR 4 HA THR 4 4.374 -8.213 -26.411 22 HB THR 4 HB THR 4 4.227 -10.432 -25.422 23 HG1 THR 4 1HG THR 4 3.122 -12.046 -26.664 24 HG21 THR 4 1HG2 THR 4 2.188 -8.958 -25.399 25 HG22 THR 4 2HG2 THR 4 1.821 -10.688 -25.332 26 HG23 THR 4 3HG2 THR 4 1.609 -9.802 -26.852 27 H MET 5 H MET 5 6.363 -8.986 -25.468 28 HA MET 5 HA MET 5 8.369 -10.072 -27.402 29 HB2 MET 5 2HB MET 5 8.580 -7.433 -25.910 30 HB3 MET 5 3HB MET 5 9.899 -8.220 -26.795 31 HG2 MET 5 2HG MET 5 8.559 -8.138 -28.883 32 HG3 MET 5 3HG MET 5 7.245 -7.354 -28.012 33 HE1 MET 5 3HE MET 5 10.750 -6.884 -29.696 34 HE2 MET 5 1HE MET 5 11.214 -5.266 -29.122 35 HE3 MET 5 2HE MET 5 11.177 -6.626 -27.984 36 HA PRO 6 HA PRO 6 8.606 -11.897 -23.107 37 HB2 PRO 6 2HB PRO 6 8.276 -14.531 -23.689 38 HB3 PRO 6 3HB PRO 6 6.898 -13.384 -23.691 39 HG2 PRO 6 2HG PRO 6 8.553 -14.318 -26.069 40 HG3 PRO 6 3HG PRO 6 6.765 -14.332 -25.899 41 HD2 PRO 6 2HD PRO 6 8.070 -12.298 -27.148 42 HD3 PRO 6 3HD PRO 6 6.625 -12.003 -26.136 43 H GLY 7 H GLY 7 10.884 -10.965 -24.345 44 HA2 GLY 7 1HA GLY 7 12.542 -12.890 -25.523 45 HA3 GLY 7 2HA GLY 7 13.099 -11.305 -24.942 46 H LEU 8 H LEU 8 12.186 -12.293 -22.158 47 HA LEU 8 HA LEU 8 13.445 -14.820 -21.782 48 HB2 LEU 8 2HB LEU 8 14.713 -14.412 -19.883 49 HB3 LEU 8 3HB LEU 8 15.337 -13.318 -21.110 50 HG LEU 8 HG LEU 8 13.434 -12.460 -18.862 51 HD11 LEU 8 1HD1 LEU 8 16.462 -12.235 -18.983 52 HD12 LEU 8 2HD1 LEU 8 15.542 -13.330 -17.927 53 HD13 LEU 8 3HD1 LEU 8 15.407 -11.575 -17.718 54 HD21 LEU 8 3HD2 LEU 8 13.440 -10.842 -20.702 55 HD22 LEU 8 1HD2 LEU 8 15.221 -10.830 -20.722 56 HD23 LEU 8 2HD2 LEU 8 14.320 -10.185 -19.327 57 H VAL 9 H VAL 9 12.775 -15.766 -19.679 58 HA VAL 9 HA VAL 9 9.999 -15.061 -18.998 59 HB VAL 9 HB VAL 9 9.944 -17.280 -18.012 60 HG11 VAL 9 1HG1 VAL 9 10.238 -18.612 -20.018 61 HG12 VAL 9 2HG1 VAL 9 9.621 -17.016 -20.480 62 HG13 VAL 9 3HG1 VAL 9 11.337 -17.408 -20.722 63 HG21 VAL 9 3HG2 VAL 9 12.252 -17.434 -17.123 64 HG22 VAL 9 1HG2 VAL 9 11.838 -18.828 -18.123 65 HG23 VAL 9 2HG2 VAL 9 12.888 -17.558 -18.783 66 H ASP 10 H ASP 10 12.878 -14.157 -17.842 67 HA ASP 10 HA ASP 10 13.833 -13.383 -15.993 68 HB2 ASP 10 2HB ASP 10 11.441 -12.138 -16.298 69 HB3 ASP 10 3HB ASP 10 11.258 -12.727 -14.650 70 H SER 11 H SER 11 13.769 -13.282 -13.441 71 HA SER 11 HA SER 11 12.677 -15.624 -12.118 72 HB2 SER 11 2HB SER 11 14.729 -16.681 -11.416 73 HB3 SER 11 3HB SER 11 14.664 -16.660 -13.186 74 HG SER 11 HG SER 11 16.148 -15.001 -13.219 75 H ASN 12 H ASN 12 12.545 -15.387 -9.883 76 HA ASN 12 HA ASN 12 14.216 -13.449 -8.494 77 HB2 ASN 12 2HB ASN 12 11.691 -12.601 -9.489 78 HB3 ASN 12 3HB ASN 12 11.457 -12.797 -7.766 79 HD21 ASN 12 1HD2 ASN 12 14.180 -11.681 -9.850 80 HD22 ASN 12 2HD2 ASN 12 14.443 -10.212 -8.905 81 HA PRO 13 HA PRO 13 13.738 -16.279 -5.284 82 HB2 PRO 13 2HB PRO 13 14.295 -14.813 -3.039 83 HB3 PRO 13 3HB PRO 13 15.466 -15.064 -4.362 84 HG2 PRO 13 2HG PRO 13 13.907 -12.600 -3.706 85 HG3 PRO 13 3HG PRO 13 15.497 -12.758 -4.503 86 HD2 PRO 13 2HD PRO 13 12.895 -12.442 -5.708 87 HD3 PRO 13 3HD PRO 13 14.420 -12.629 -6.584 88 H ALA 14 H ALA 14 11.920 -17.342 -4.630 89 HA ALA 14 HA ALA 14 9.993 -16.050 -2.842 90 HB1 ALA 14 1HB ALA 14 9.247 -15.385 -5.112 91 HB2 ALA 14 2HB ALA 14 9.251 -17.094 -5.615 92 HB3 ALA 14 3HB ALA 14 8.120 -16.532 -4.373 93 HA PRO 15 HA PRO 15 9.464 -20.347 -1.531 94 HB2 PRO 15 2HB PRO 15 7.106 -20.202 -0.118 95 HB3 PRO 15 3HB PRO 15 8.643 -19.480 0.456 96 HG2 PRO 15 2HG PRO 15 6.382 -18.115 -1.043 97 HG3 PRO 15 3HG PRO 15 7.203 -17.574 0.462 98 HD2 PRO 15 2HD PRO 15 7.902 -16.610 -1.976 99 HD3 PRO 15 3HD PRO 15 9.127 -16.914 -0.718 100 HA PRO 16 HA PRO 16 7.408 -22.275 -4.660 101 HB2 PRO 16 2HB PRO 16 7.191 -24.878 -3.899 102 HB3 PRO 16 3HB PRO 16 8.723 -23.971 -3.914 103 HG2 PRO 16 2HG PRO 16 6.870 -24.365 -1.533 104 HG3 PRO 16 3HG PRO 16 8.609 -24.798 -1.641 105 HD2 PRO 16 2HD PRO 16 7.822 -22.419 -0.610 106 HD3 PRO 16 3HD PRO 16 9.273 -22.535 -1.651 107 H GLU 17 H GLU 17 5.345 -20.834 -3.549 108 HA GLU 17 HA GLU 17 3.229 -22.303 -4.955 109 HB2 GLU 17 2HB GLU 17 2.623 -22.643 -2.585 110 HB3 GLU 17 3HB GLU 17 2.358 -20.892 -2.587 111 HG2 GLU 17 2HG GLU 17 0.749 -21.142 -4.484 112 HG3 GLU 17 3HG GLU 17 1.001 -22.889 -4.439 113 H SER 18 H SER 18 4.442 -19.204 -3.758 114 HA SER 18 HA SER 18 3.983 -17.964 -6.277 115 HB2 SER 18 2HB SER 18 1.987 -17.391 -4.281 116 HB3 SER 18 3HB SER 18 2.502 -16.054 -5.331 117 HG SER 18 HG SER 18 1.708 -18.609 -6.283 118 H GLN 19 H GLN 19 3.747 -16.135 -3.206 119 HA GLN 19 HA GLN 19 6.587 -15.509 -3.147 120 HB2 GLN 19 2HB GLN 19 6.454 -13.180 -3.731 121 HB3 GLN 19 3HB GLN 19 5.926 -14.184 -5.067 122 HG2 GLN 19 2HG GLN 19 3.526 -13.709 -4.428 123 HG3 GLN 19 3HG GLN 19 4.120 -12.574 -3.209 124 HE21 GLN 19 1HE2 GLN 19 2.712 -12.484 -6.133 125 HE22 GLN 19 2HE2 GLN 19 3.620 -11.152 -6.844 126 H GLU 20 H GLU 20 4.646 -16.462 -1.137 127 HA GLU 20 HA GLU 20 3.963 -14.352 0.672 128 HB2 GLU 20 2HB GLU 20 3.295 -16.172 2.165 129 HB3 GLU 20 3HB GLU 20 2.638 -16.330 0.541 130 HG2 GLU 20 2HG GLU 20 4.113 -18.131 -0.020 131 HG3 GLU 20 3HG GLU 20 5.157 -17.821 1.367 132 H LYS 21 H LYS 21 6.626 -13.797 0.313 133 HA LYS 21 HA LYS 21 7.746 -14.245 3.031 134 HB2 LYS 21 2HB LYS 21 8.641 -15.971 1.530 135 HB3 LYS 21 3HB LYS 21 9.313 -14.727 0.467 136 HG2 LYS 21 2HG LYS 21 10.814 -13.968 2.191 137 HG3 LYS 21 3HG LYS 21 10.011 -14.941 3.426 138 HD2 LYS 21 2HD LYS 21 11.502 -16.127 1.034 139 HD3 LYS 21 3HD LYS 21 12.211 -15.840 2.629 140 HE2 LYS 21 2HE LYS 21 10.431 -17.293 3.649 141 HE3 LYS 21 3HE LYS 21 9.871 -17.708 2.029 142 HZ1 LYS 21 3HZ LYS 21 12.643 -18.210 2.975 143 HZ2 LYS 21 1HZ LYS 21 11.987 -18.770 1.597 144 HZ3 LYS 21 2HZ LYS 21 11.426 -19.346 2.996 145 H LYS 22 H LYS 22 7.551 -12.270 3.772 146 HA LYS 22 HA LYS 22 9.452 -10.230 2.867 147 HB2 LYS 22 2HB LYS 22 6.441 -9.730 3.034 148 HB3 LYS 22 3HB LYS 22 7.572 -8.449 3.410 149 HG2 LYS 22 2HG LYS 22 7.424 -7.953 1.232 150 HG3 LYS 22 3HG LYS 22 8.677 -9.174 1.071 151 HD2 LYS 22 2HD LYS 22 6.605 -10.824 0.760 152 HD3 LYS 22 3HD LYS 22 5.716 -9.347 0.420 153 HE2 LYS 22 2HE LYS 22 8.280 -10.249 -0.983 154 HE3 LYS 22 3HE LYS 22 6.648 -10.509 -1.609 155 HZ1 LYS 22 3HZ LYS 22 7.905 -7.831 -1.171 156 HZ2 LYS 22 1HZ LYS 22 6.374 -8.076 -1.691 157 HZ3 LYS 22 2HZ LYS 22 7.631 -8.547 -2.600 158 HA PRO 23 HA PRO 23 10.319 -10.134 7.078 159 HB2 PRO 23 2HB PRO 23 11.453 -7.699 7.569 160 HB3 PRO 23 3HB PRO 23 12.126 -8.886 6.423 161 HG2 PRO 23 2HG PRO 23 10.295 -6.547 5.773 162 HG3 PRO 23 3HG PRO 23 11.879 -6.950 5.027 163 HD2 PRO 23 2HD PRO 23 9.564 -7.723 3.877 164 HD3 PRO 23 3HD PRO 23 10.977 -8.814 3.893 165 H LEU 24 H LEU 24 7.895 -10.321 7.465 166 HA LEU 24 HA LEU 24 6.375 -8.333 8.780 167 HB2 LEU 24 2HB LEU 24 6.340 -11.374 8.858 168 HB3 LEU 24 3HB LEU 24 5.098 -10.394 9.617 169 HG LEU 24 HG LEU 24 5.690 -10.362 6.636 170 HD11 LEU 24 1HD1 LEU 24 3.398 -11.594 8.242 171 HD12 LEU 24 2HD1 LEU 24 4.702 -12.491 7.441 172 HD13 LEU 24 3HD1 LEU 24 3.547 -11.578 6.467 173 HD21 LEU 24 3HD2 LEU 24 3.472 -9.073 8.294 174 HD22 LEU 24 1HD2 LEU 24 3.508 -9.166 6.514 175 HD23 LEU 24 2HD2 LEU 24 4.734 -8.218 7.362 176 H LYS 25 H LYS 25 9.137 -8.596 9.999 177 HA LYS 25 HA LYS 25 8.852 -9.434 12.761 178 HB2 LYS 25 2HB LYS 25 10.828 -7.719 11.207 179 HB3 LYS 25 3HB LYS 25 10.855 -7.705 12.974 180 HG2 LYS 25 2HG LYS 25 11.109 -10.122 13.067 181 HG3 LYS 25 3HG LYS 25 11.031 -10.258 11.312 182 HD2 LYS 25 2HD LYS 25 13.214 -8.649 12.722 183 HD3 LYS 25 3HD LYS 25 13.321 -10.397 12.463 184 HE2 LYS 25 2HE LYS 25 12.883 -9.958 9.992 185 HE3 LYS 25 3HE LYS 25 13.153 -8.235 10.326 186 HZ1 LYS 25 3HZ LYS 25 15.140 -10.375 10.950 187 HZ2 LYS 25 1HZ LYS 25 15.384 -8.721 10.981 188 HZ3 LYS 25 2HZ LYS 25 15.167 -9.502 9.580 189 HA PRO 26 HA PRO 26 6.289 -6.314 14.322 190 HB2 PRO 26 2HB PRO 26 7.051 -6.026 16.946 191 HB3 PRO 26 3HB PRO 26 6.243 -7.481 16.288 192 HG2 PRO 26 2HG PRO 26 9.214 -7.040 16.715 193 HG3 PRO 26 3HG PRO 26 8.220 -8.452 17.198 194 HD2 PRO 26 2HD PRO 26 9.686 -8.475 14.918 195 HD3 PRO 26 3HD PRO 26 8.061 -9.222 14.970 196 H CYS 27 H CYS 27 6.584 -4.478 13.232 197 HA CYS 27 HA CYS 27 8.061 -2.286 14.532 198 HB2 CYS 27 2HB CYS 27 9.629 -3.327 12.881 199 HB3 CYS 27 3HB CYS 27 8.459 -3.020 11.588 200 HG CYS 27 HG CYS 27 10.506 -1.263 11.600 201 H CYS 28 H CYS 28 7.237 -0.246 13.995 202 HA CYS 28 HA CYS 28 4.444 -0.021 13.595 203 HB2 CYS 28 2HB CYS 28 6.598 2.150 13.501 204 HB3 CYS 28 3HB CYS 28 4.905 2.356 13.954 205 HG CYS 28 HG CYS 28 6.619 2.569 15.996 206 H ALA 29 H ALA 29 6.079 -0.981 11.117 207 HA ALA 29 HA ALA 29 5.750 1.083 9.127 208 HB1 ALA 29 1HB ALA 29 6.323 -1.881 8.817 209 HB2 ALA 29 2HB ALA 29 6.431 -0.642 7.544 210 HB3 ALA 29 3HB ALA 29 7.535 -0.577 8.937 211 H CYS 30 H CYS 30 3.476 1.381 9.932 212 HA CYS 30 HA CYS 30 1.155 1.296 9.513 213 HB2 CYS 30 2HB CYS 30 2.451 1.081 6.847 214 HB3 CYS 30 3HB CYS 30 0.871 1.775 7.191 215 HA PRO 31 HA PRO 31 0.659 -3.371 8.464 216 HB2 PRO 31 2HB PRO 31 -0.191 -4.090 10.965 217 HB3 PRO 31 3HB PRO 31 1.559 -4.122 10.529 218 HG2 PRO 31 2HG PRO 31 -0.053 -1.987 12.026 219 HG3 PRO 31 3HG PRO 31 1.546 -2.673 12.481 220 HD2 PRO 31 2HD PRO 31 1.385 -0.285 11.082 221 HD3 PRO 31 3HD PRO 31 2.644 -1.493 10.773 222 H GLU 32 H GLU 32 -1.512 -0.846 9.728 223 HA GLU 32 HA GLU 32 -3.729 -2.518 8.651 224 HB2 GLU 32 2HB GLU 32 -4.805 -0.294 8.153 225 HB3 GLU 32 3HB GLU 32 -4.702 -0.821 9.795 226 HG2 GLU 32 2HG GLU 32 -3.056 0.826 10.367 227 HG3 GLU 32 3HG GLU 32 -2.717 1.193 8.692 228 H THR 33 H THR 33 -1.377 -0.116 7.500 229 HA THR 33 HA THR 33 -3.010 0.189 5.144 230 HB THR 33 HB THR 33 -1.698 1.851 4.291 231 HG1 THR 33 1HG THR 33 0.330 2.312 4.707 232 HG21 THR 33 1HG2 THR 33 -2.824 2.510 6.385 233 HG22 THR 33 2HG2 THR 33 -1.431 3.503 5.934 234 HG23 THR 33 3HG2 THR 33 -1.276 2.283 7.223 235 H LYS 34 H LYS 34 0.353 -1.156 5.539 236 HA LYS 34 HA LYS 34 0.873 -2.331 3.068 237 HB2 LYS 34 2HB LYS 34 1.745 -4.115 4.215 238 HB3 LYS 34 3HB LYS 34 2.450 -2.618 4.579 239 HG2 LYS 34 2HG LYS 34 2.194 -3.016 6.614 240 HG3 LYS 34 3HG LYS 34 0.455 -3.324 6.522 241 HD2 LYS 34 2HD LYS 34 0.755 -5.630 5.921 242 HD3 LYS 34 3HD LYS 34 2.424 -5.414 5.598 243 HE2 LYS 34 2HE LYS 34 1.160 -5.302 8.396 244 HE3 LYS 34 3HE LYS 34 1.767 -6.786 7.686 245 HZ1 LYS 34 3HZ LYS 34 4.013 -5.704 7.582 246 HZ2 LYS 34 1HZ LYS 34 3.490 -5.714 9.099 247 HZ3 LYS 34 2HZ LYS 34 3.410 -4.337 8.241 248 H LYS 35 H LYS 35 -1.215 -3.456 5.668 249 HA LYS 35 HA LYS 35 -1.184 -5.996 4.498 250 HB2 LYS 35 2HB LYS 35 -1.212 -5.319 6.912 251 HB3 LYS 35 3HB LYS 35 -2.833 -4.896 6.866 252 HG2 LYS 35 2HG LYS 35 -2.471 -7.102 7.904 253 HG3 LYS 35 3HG LYS 35 -3.473 -7.270 6.474 254 HD2 LYS 35 2HD LYS 35 -2.015 -8.661 5.459 255 HD3 LYS 35 3HD LYS 35 -0.619 -7.626 5.803 256 HE2 LYS 35 2HE LYS 35 -0.050 -8.629 7.735 257 HE3 LYS 35 3HE LYS 35 -1.719 -9.083 8.143 258 HZ1 LYS 35 3HZ LYS 35 -0.629 -11.054 7.674 259 HZ2 LYS 35 1HZ LYS 35 0.007 -10.563 6.234 260 HZ3 LYS 35 2HZ LYS 35 -1.592 -10.853 6.388 261 H ALA 36 H ALA 36 -3.518 -3.527 4.875 262 HA ALA 36 HA ALA 36 -5.727 -4.453 3.245 263 HB1 ALA 36 1HB ALA 36 -4.824 -1.624 3.968 264 HB2 ALA 36 2HB ALA 36 -6.417 -2.095 3.339 265 HB3 ALA 36 3HB ALA 36 -5.901 -2.660 4.935 266 H ARG 37 H ARG 37 -2.791 -2.464 2.352 267 HA ARG 37 HA ARG 37 -3.246 -2.145 -0.479 268 HB2 ARG 37 2HB ARG 37 -0.925 -1.726 1.008 269 HB3 ARG 37 3HB ARG 37 -0.541 -3.274 0.432 270 HG2 ARG 37 2HG ARG 37 -1.658 -1.654 -1.677 271 HG3 ARG 37 3HG ARG 37 -0.254 -0.894 -0.883 272 HD2 ARG 37 2HD ARG 37 0.158 -2.199 -3.043 273 HD3 ARG 37 3HD ARG 37 1.092 -2.417 -1.576 274 HE ARG 37 HE ARG 37 -0.542 -4.496 -1.350 275 HH11 ARG 37 1HH1 ARG 37 1.821 -3.537 -3.883 276 HH12 ARG 37 2HH1 ARG 37 2.906 -4.801 -3.500 277 HH21 ARG 37 1HH2 ARG 37 0.787 -6.640 -1.633 278 HH22 ARG 37 2HH2 ARG 37 2.209 -6.502 -2.576 279 H ASP 38 H ASP 38 -1.790 -4.827 1.318 280 HA ASP 38 HA ASP 38 -1.360 -6.288 -0.969 281 HB2 ASP 38 2HB ASP 38 -0.764 -6.534 1.797 282 HB3 ASP 38 3HB ASP 38 -1.639 -8.026 1.430 283 H ALA 39 H ALA 39 -4.146 -6.391 1.339 284 HA ALA 39 HA ALA 39 -5.623 -8.528 0.289 285 HB1 ALA 39 1HB ALA 39 -7.550 -7.367 1.276 286 HB2 ALA 39 2HB ALA 39 -6.143 -7.167 2.349 287 HB3 ALA 39 3HB ALA 39 -6.657 -5.837 1.272 288 H CYS 40 H CYS 40 -5.605 -5.107 -0.987 289 HA CYS 40 HA CYS 40 -7.474 -5.747 -3.126 290 HB2 CYS 40 2HB CYS 40 -6.829 -3.556 -2.140 291 HB3 CYS 40 3HB CYS 40 -5.281 -3.675 -2.899 292 H ILE 41 H ILE 41 -3.914 -5.618 -2.917 293 HA ILE 41 HA ILE 41 -3.390 -6.347 -5.627 294 HB ILE 41 HB ILE 41 -1.730 -6.219 -3.128 295 HG12 ILE 41 2HG1 ILE 41 -0.537 -4.548 -4.750 296 HG13 ILE 41 3HG1 ILE 41 -1.832 -4.768 -5.791 297 HG21 ILE 41 1HG2 ILE 41 -0.718 -8.104 -4.240 298 HG22 ILE 41 2HG2 ILE 41 -0.814 -7.295 -5.823 299 HG23 ILE 41 3HG2 ILE 41 0.288 -6.695 -4.572 300 HD11 ILE 41 3HD1 ILE 41 -3.378 -3.803 -4.107 301 HD12 ILE 41 1HD1 ILE 41 -2.000 -3.504 -3.083 302 HD13 ILE 41 2HD1 ILE 41 -2.076 -2.711 -4.639 303 H ILE 42 H ILE 42 -4.105 -8.397 -2.888 304 HA ILE 42 HA ILE 42 -3.500 -10.964 -3.999 305 HB ILE 42 HB ILE 42 -5.353 -9.856 -1.874 306 HG12 ILE 42 2HG1 ILE 42 -3.043 -11.834 -1.741 307 HG13 ILE 42 3HG1 ILE 42 -2.804 -10.111 -1.588 308 HG21 ILE 42 1HG2 ILE 42 -6.008 -12.103 -1.128 309 HG22 ILE 42 2HG2 ILE 42 -6.675 -11.690 -2.695 310 HG23 ILE 42 3HG2 ILE 42 -5.275 -12.798 -2.591 311 HD11 ILE 42 3HD1 ILE 42 -4.328 -11.916 0.340 312 HD12 ILE 42 1HD1 ILE 42 -2.773 -11.109 0.598 313 HD13 ILE 42 2HD1 ILE 42 -4.251 -10.141 0.474 314 H GLU 43 H GLU 43 -6.214 -8.809 -4.557 315 HA GLU 43 HA GLU 43 -7.928 -10.904 -5.600 316 HB2 GLU 43 2HB GLU 43 -8.008 -9.253 -3.591 317 HB3 GLU 43 3HB GLU 43 -8.433 -8.021 -4.741 318 HG2 GLU 43 2HG GLU 43 -9.983 -10.610 -4.330 319 HG3 GLU 43 3HG GLU 43 -10.017 -9.176 -3.299 320 H LYS 44 H LYS 44 -6.976 -7.543 -6.450 321 HA LYS 44 HA LYS 44 -7.724 -8.072 -9.326 322 HB2 LYS 44 2HB LYS 44 -7.332 -5.363 -7.954 323 HB3 LYS 44 3HB LYS 44 -7.980 -5.675 -9.562 324 HG2 LYS 44 2HG LYS 44 -9.347 -6.503 -6.962 325 HG3 LYS 44 3HG LYS 44 -9.776 -5.133 -7.974 326 HD2 LYS 44 2HD LYS 44 -10.241 -6.683 -9.886 327 HD3 LYS 44 3HD LYS 44 -9.709 -8.022 -8.887 328 HE2 LYS 44 2HE LYS 44 -11.899 -8.351 -8.630 329 HE3 LYS 44 3HE LYS 44 -11.567 -7.373 -7.222 330 HZ1 LYS 44 3HZ LYS 44 -13.551 -6.728 -8.386 331 HZ2 LYS 44 1HZ LYS 44 -12.740 -6.332 -9.749 332 HZ3 LYS 44 2HZ LYS 44 -12.535 -5.457 -8.351 333 H GLY 45 H GLY 45 -5.192 -6.754 -7.374 334 HA2 GLY 45 1HA GLY 45 -2.845 -7.349 -7.972 335 HA3 GLY 45 2HA GLY 45 -3.248 -7.108 -9.665 336 H GLU 46 H GLU 46 -1.053 -5.736 -8.885 337 HA GLU 46 HA GLU 46 -1.461 -3.352 -7.325 338 HB2 GLU 46 2HB GLU 46 0.714 -4.036 -9.351 339 HB3 GLU 46 3HB GLU 46 0.786 -2.763 -8.167 340 HG2 GLU 46 2HG GLU 46 0.298 -5.201 -6.733 341 HG3 GLU 46 3HG GLU 46 1.497 -5.563 -7.950 342 H GLU 47 H GLU 47 -1.276 -3.971 -10.863 343 HA GLU 47 HA GLU 47 -1.559 -1.256 -11.481 344 HB2 GLU 47 2HB GLU 47 -1.909 -2.001 -13.765 345 HB3 GLU 47 3HB GLU 47 -0.582 -2.817 -12.933 346 HG2 GLU 47 2HG GLU 47 -1.880 -4.853 -12.670 347 HG3 GLU 47 3HG GLU 47 -3.316 -4.050 -13.340 348 H HIS 48 H HIS 48 -3.886 -3.118 -10.010 349 HA HIS 48 HA HIS 48 -6.155 -1.502 -11.046 350 HB2 HIS 48 2HB HIS 48 -5.974 -4.366 -10.117 351 HB3 HIS 48 3HB HIS 48 -7.468 -3.484 -10.355 352 HD2 HIS 48 2HD HIS 48 -5.526 -5.884 -12.102 353 HE1 HIS 48 1HE HIS 48 -6.731 -3.370 -15.335 354 HE2 HIS 48 2HE HIS 48 -5.743 -5.628 -14.750 355 H CYS 49 H CYS 49 -3.996 -1.867 -8.623 356 HA CYS 49 HA CYS 49 -5.731 -0.766 -6.508 357 HB2 CYS 49 2HB CYS 49 -3.617 -2.926 -6.426 358 HB3 CYS 49 3HB CYS 49 -4.245 -2.237 -5.106 359 H GLY 50 H GLY 50 -3.417 0.466 -8.418 360 HA2 GLY 50 1HA GLY 50 -1.494 1.057 -6.320 361 HA3 GLY 50 2HA GLY 50 -1.270 1.560 -7.908 362 H HIS 51 H HIS 51 -4.410 2.549 -6.882 363 HA HIS 51 HA HIS 51 -3.649 4.991 -5.447 364 HB2 HIS 51 2HB HIS 51 -6.048 5.074 -4.956 365 HB3 HIS 51 3HB HIS 51 -5.827 4.678 -6.662 366 HD2 HIS 51 2HD HIS 51 -8.025 3.684 -3.958 367 HE1 HIS 51 1HE HIS 51 -7.599 0.068 -6.145 368 HE2 HIS 51 2HE HIS 51 -8.980 1.287 -4.402 369 H LEU 52 H LEU 52 -4.567 1.638 -4.647 370 HA LEU 52 HA LEU 52 -4.056 1.956 -1.770 371 HB2 LEU 52 2HB LEU 52 -4.806 -0.334 -3.641 372 HB3 LEU 52 3HB LEU 52 -3.892 -0.865 -2.441 373 HG LEU 52 HG LEU 52 -6.682 -0.341 -2.585 374 HD11 LEU 52 1HD1 LEU 52 -5.155 -0.863 -0.002 375 HD12 LEU 52 2HD1 LEU 52 -5.509 -2.102 -1.201 376 HD13 LEU 52 3HD1 LEU 52 -6.842 -1.295 -0.354 377 HD21 LEU 52 3HD2 LEU 52 -6.320 2.014 -1.936 378 HD22 LEU 52 1HD2 LEU 52 -5.591 1.463 -0.416 379 HD23 LEU 52 2HD2 LEU 52 -7.301 1.080 -0.764 380 H ILE 53 H ILE 53 -1.902 1.122 -4.506 381 HA ILE 53 HA ILE 53 0.286 1.030 -2.635 382 HB ILE 53 HB ILE 53 0.390 2.072 -5.475 383 HG12 ILE 53 2HG1 ILE 53 1.493 -0.582 -4.721 384 HG13 ILE 53 3HG1 ILE 53 -0.214 -0.543 -4.570 385 HG21 ILE 53 1HG2 ILE 53 2.330 2.759 -4.073 386 HG22 ILE 53 2HG2 ILE 53 2.547 1.070 -3.566 387 HG23 ILE 53 3HG2 ILE 53 2.803 1.539 -5.257 388 HD11 ILE 53 3HD1 ILE 53 -0.304 -0.897 -6.858 389 HD12 ILE 53 1HD1 ILE 53 0.669 0.580 -7.169 390 HD13 ILE 53 2HD1 ILE 53 1.469 -0.948 -6.858 391 H GLU 54 H GLU 54 -0.936 3.988 -4.433 392 HA GLU 54 HA GLU 54 0.938 5.750 -3.404 393 HB2 GLU 54 2HB GLU 54 -1.897 6.213 -4.384 394 HB3 GLU 54 3HB GLU 54 -0.864 7.526 -3.861 395 HG2 GLU 54 2HG GLU 54 0.867 6.767 -5.516 396 HG3 GLU 54 3HG GLU 54 -0.265 5.611 -6.157 397 H ALA 55 H ALA 55 -2.346 5.227 -2.110 398 HA ALA 55 HA ALA 55 -2.288 7.153 -0.063 399 HB1 ALA 55 1HB ALA 55 -4.325 5.997 -0.809 400 HB2 ALA 55 2HB ALA 55 -3.677 4.412 -0.335 401 HB3 ALA 55 3HB ALA 55 -4.091 5.629 0.915 402 H HIS 56 H HIS 56 -1.193 3.854 -0.185 403 HA HIS 56 HA HIS 56 -0.373 3.713 2.647 404 HB2 HIS 56 2HB HIS 56 -0.219 1.740 0.343 405 HB3 HIS 56 3HB HIS 56 0.231 1.349 2.046 406 HD2 HIS 56 2HD HIS 56 -2.283 -0.180 0.691 407 HE1 HIS 56 1HE HIS 56 -4.915 2.403 2.822 408 HE2 HIS 56 2HE HIS 56 -4.715 0.162 1.595 409 H LYS 57 H LYS 57 1.114 4.091 -0.524 410 HA LYS 57 HA LYS 57 3.751 3.861 -0.048 411 HB2 LYS 57 2HB LYS 57 2.145 4.430 -2.140 412 HB3 LYS 57 3HB LYS 57 2.629 5.997 -1.960 413 HG2 LYS 57 2HG LYS 57 5.051 4.890 -1.911 414 HG3 LYS 57 3HG LYS 57 4.139 3.429 -2.362 415 HD2 LYS 57 2HD LYS 57 3.458 4.658 -4.497 416 HD3 LYS 57 3HD LYS 57 4.446 6.025 -3.958 417 HE2 LYS 57 2HE LYS 57 6.421 4.451 -3.827 418 HE3 LYS 57 3HE LYS 57 5.434 3.194 -4.564 419 HZ1 LYS 57 3HZ LYS 57 5.402 4.300 -6.569 420 HZ2 LYS 57 1HZ LYS 57 6.920 4.690 -6.083 421 HZ3 LYS 57 2HZ LYS 57 5.710 5.789 -5.935 422 H GLU 58 H GLU 58 1.800 6.841 0.225 423 HA GLU 58 HA GLU 58 4.019 8.226 1.414 424 HB2 GLU 58 2HB GLU 58 2.772 9.959 2.218 425 HB3 GLU 58 3HB GLU 58 2.423 9.643 0.513 426 HG2 GLU 58 2HG GLU 58 0.374 8.558 1.162 427 HG3 GLU 58 3HG GLU 58 0.663 8.878 2.887 428 H CYS 59 H CYS 59 1.577 6.318 2.997 429 HA CYS 59 HA CYS 59 2.243 6.821 5.685 430 HB2 CYS 59 2HB CYS 59 0.356 5.417 4.862 431 HB3 CYS 59 3HB CYS 59 1.414 4.066 4.594 432 H MET 60 H MET 60 3.797 4.402 3.516 433 HA MET 60 HA MET 60 6.004 3.823 5.313 434 HB2 MET 60 2HB MET 60 5.506 3.454 2.337 435 HB3 MET 60 3HB MET 60 7.084 3.147 3.072 436 HG2 MET 60 2HG MET 60 5.974 1.065 3.018 437 HG3 MET 60 3HG MET 60 6.036 1.594 4.700 438 HE1 MET 60 3HE MET 60 2.770 -0.410 4.876 439 HE2 MET 60 1HE MET 60 4.287 -0.842 4.048 440 HE3 MET 60 2HE MET 60 4.327 -0.038 5.637 441 H ARG 61 H ARG 61 5.779 6.226 2.531 442 HA ARG 61 HA ARG 61 8.527 6.983 2.728 443 HB2 ARG 61 2HB ARG 61 8.107 8.385 1.056 444 HB3 ARG 61 3HB ARG 61 6.522 7.627 1.001 445 HG2 ARG 61 2HG ARG 61 5.702 9.523 2.516 446 HG3 ARG 61 3HG ARG 61 7.307 10.241 2.325 447 HD2 ARG 61 2HD ARG 61 6.274 9.570 -0.285 448 HD3 ARG 61 3HD ARG 61 4.993 10.400 0.604 449 HE ARG 61 HE ARG 61 7.143 12.045 1.046 450 HH11 ARG 61 1HH1 ARG 61 5.615 10.809 -1.846 451 HH12 ARG 61 2HH1 ARG 61 6.323 11.990 -2.881 452 HH21 ARG 61 1HH2 ARG 61 7.804 13.804 -0.314 453 HH22 ARG 61 2HH2 ARG 61 7.198 13.781 -1.946 454 H ALA 62 H ALA 62 5.817 8.220 4.553 455 HA ALA 62 HA ALA 62 7.045 10.386 5.881 456 HB1 ALA 62 1HB ALA 62 5.265 10.051 7.564 457 HB2 ALA 62 2HB ALA 62 4.632 9.893 5.909 458 HB3 ALA 62 3HB ALA 62 4.930 8.441 6.894 459 H LEU 63 H LEU 63 7.358 6.923 6.557 460 HA LEU 63 HA LEU 63 8.661 7.042 9.112 461 HB2 LEU 63 2HB LEU 63 8.977 5.018 6.861 462 HB3 LEU 63 3HB LEU 63 9.393 4.773 8.508 463 HG LEU 63 HG LEU 63 6.626 5.103 7.292 464 HD11 LEU 63 1HD1 LEU 63 6.052 2.935 8.039 465 HD12 LEU 63 2HD1 LEU 63 7.704 2.699 8.687 466 HD13 LEU 63 3HD1 LEU 63 7.409 2.946 6.930 467 HD21 LEU 63 3HD2 LEU 63 6.582 6.139 9.519 468 HD22 LEU 63 1HD2 LEU 63 7.266 4.637 10.199 469 HD23 LEU 63 2HD2 LEU 63 5.624 4.649 9.462 470 H GLY 64 H GLY 64 9.770 8.145 6.148 471 HA2 GLY 64 1HA GLY 64 11.750 8.807 5.389 472 HA3 GLY 64 2HA GLY 64 12.645 8.145 6.777 473 H PHE 65 H PHE 65 10.355 6.268 4.827 474 HA PHE 65 HA PHE 65 12.492 4.394 3.999 475 HB2 PHE 65 2HB PHE 65 9.486 4.464 3.621 476 HB3 PHE 65 3HB PHE 65 10.469 3.216 2.953 477 HD1 PHE 65 2HD PHE 65 11.494 4.124 6.408 478 HD2 PHE 65 1HD PHE 65 8.744 1.841 3.976 479 HE1 PHE 65 2HE PHE 65 10.984 2.684 8.316 480 HE2 PHE 65 1HE PHE 65 8.153 0.482 5.933 481 HZ PHE 65 HZ PHE 65 9.234 0.958 8.129 482 H LYS 66 H LYS 66 12.270 3.397 1.862 483 HA LYS 66 HA LYS 66 13.358 5.505 0.202 484 HB2 LYS 66 2HB LYS 66 13.770 2.521 0.026 485 HB3 LYS 66 3HB LYS 66 14.769 3.823 -0.641 486 HG2 LYS 66 2HG LYS 66 14.580 4.541 2.076 487 HG3 LYS 66 3HG LYS 66 14.549 2.791 2.156 488 HD2 LYS 66 2HD LYS 66 16.644 3.006 0.576 489 HD3 LYS 66 3HD LYS 66 16.482 4.748 0.956 490 HE2 LYS 66 2HE LYS 66 16.613 4.069 3.437 491 HE3 LYS 66 3HE LYS 66 17.023 2.435 2.904 492 HZ1 LYS 66 3HZ LYS 66 18.646 4.831 2.214 493 HZ2 LYS 66 1HZ LYS 66 19.012 3.286 1.888 494 HZ3 LYS 66 2HZ LYS 66 19.006 3.779 3.447 495 H ILE 67 H ILE 67 11.143 5.957 -0.188 496 HA ILE 67 HA ILE 67 9.679 4.467 -2.321 497 HB ILE 67 HB ILE 67 8.914 6.483 -0.183 498 HG12 ILE 67 2HG1 ILE 67 7.068 4.824 0.184 499 HG13 ILE 67 3HG1 ILE 67 7.710 3.840 -1.131 500 HG21 ILE 67 1HG2 ILE 67 7.808 7.456 -2.087 501 HG22 ILE 67 2HG2 ILE 67 7.250 5.871 -2.666 502 HG23 ILE 67 3HG2 ILE 67 6.592 6.581 -1.159 503 HD11 ILE 67 3HD1 ILE 67 9.200 4.485 1.398 504 HD12 ILE 67 1HD1 ILE 67 8.252 3.002 1.137 505 HD13 ILE 67 2HD1 ILE 67 9.680 3.298 0.152 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 20.474 -71.704 -2.167 2 H2 GLY 1 H2 GLY 1 21.929 -71.148 -1.646 3 H3 GLY 1 H3 GLY 1 21.771 -71.644 -3.207 4 HA2 GLY 1 2HA GLY 1 21.814 -69.205 -2.889 5 HA3 GLY 1 1HA GLY 1 20.353 -69.804 -3.722 6 H SER 2 H SER 2 20.527 -67.301 -2.217 7 HA SER 2 HA SER 2 19.144 -67.732 0.330 8 HB2 SER 2 2HB SER 2 19.149 -65.295 0.471 9 HB3 SER 2 3HB SER 2 20.759 -65.907 0.067 10 HG SER 2 HG SER 2 20.205 -64.140 -1.253 11 H PHE 3 H PHE 3 17.196 -66.146 0.634 12 HA PHE 3 HA PHE 3 15.066 -66.965 -1.277 13 HB2 PHE 3 2HB PHE 3 13.717 -67.116 0.879 14 HB3 PHE 3 3HB PHE 3 14.992 -68.292 0.660 15 HD1 PHE 3 2HD PHE 3 14.256 -65.020 2.378 16 HD2 PHE 3 1HD PHE 3 16.718 -68.562 2.265 17 HE1 PHE 3 2HE PHE 3 15.340 -64.336 4.492 18 HE2 PHE 3 1HE PHE 3 17.793 -67.873 4.397 19 HZ PHE 3 HZ PHE 3 17.112 -65.767 5.513 20 H THR 4 H THR 4 16.540 -64.317 -1.099 21 HA THR 4 HA THR 4 16.200 -62.091 -1.306 22 HB THR 4 HB THR 4 14.294 -61.171 -2.206 23 HG1 THR 4 1HG THR 4 12.888 -63.283 -1.016 24 HG21 THR 4 1HG2 THR 4 15.238 -62.947 -3.695 25 HG22 THR 4 2HG2 THR 4 13.511 -62.608 -3.957 26 HG23 THR 4 3HG2 THR 4 13.997 -64.068 -3.077 27 H MET 5 H MET 5 14.925 -60.064 -0.358 28 HA MET 5 HA MET 5 13.653 -60.613 2.208 29 HB2 MET 5 2HB MET 5 16.053 -60.482 2.839 30 HB3 MET 5 3HB MET 5 16.109 -58.822 2.243 31 HG2 MET 5 2HG MET 5 14.292 -58.206 3.833 32 HG3 MET 5 3HG MET 5 14.231 -59.870 4.409 33 HE1 MET 5 3HE MET 5 17.314 -60.705 4.749 34 HE2 MET 5 1HE MET 5 17.545 -60.244 6.445 35 HE3 MET 5 2HE MET 5 16.022 -61.012 5.937 36 HA PRO 6 HA PRO 6 11.676 -56.755 0.722 37 HB2 PRO 6 2HB PRO 6 9.102 -57.511 1.209 38 HB3 PRO 6 3HB PRO 6 9.946 -57.879 -0.313 39 HG2 PRO 6 2HG PRO 6 9.445 -59.723 2.018 40 HG3 PRO 6 3HG PRO 6 9.351 -60.077 0.275 41 HD2 PRO 6 2HD PRO 6 11.536 -60.670 1.900 42 HD3 PRO 6 3HD PRO 6 11.639 -60.430 0.128 43 H GLY 7 H GLY 7 10.249 -58.742 3.387 44 HA2 GLY 7 1HA GLY 7 10.038 -58.411 5.650 45 HA3 GLY 7 2HA GLY 7 11.315 -57.198 5.558 46 H LEU 8 H LEU 8 10.212 -55.263 3.949 47 HA LEU 8 HA LEU 8 7.592 -54.392 4.885 48 HB2 LEU 8 2HB LEU 8 8.355 -52.431 5.998 49 HB3 LEU 8 3HB LEU 8 9.129 -53.812 6.751 50 HG LEU 8 HG LEU 8 10.425 -51.768 4.914 51 HD11 LEU 8 1HD1 LEU 8 9.917 -51.048 7.232 52 HD12 LEU 8 2HD1 LEU 8 11.658 -51.132 6.920 53 HD13 LEU 8 3HD1 LEU 8 10.862 -52.423 7.843 54 HD21 LEU 8 3HD2 LEU 8 11.737 -54.187 6.199 55 HD22 LEU 8 1HD2 LEU 8 12.612 -52.788 5.531 56 HD23 LEU 8 2HD2 LEU 8 11.645 -53.793 4.457 57 H VAL 9 H VAL 9 7.128 -52.148 3.803 58 HA VAL 9 HA VAL 9 7.983 -52.313 1.001 59 HB VAL 9 HB VAL 9 5.663 -51.857 1.889 60 HG11 VAL 9 1HG1 VAL 9 6.288 -50.031 3.495 61 HG12 VAL 9 2HG1 VAL 9 6.555 -48.986 2.079 62 HG13 VAL 9 3HG1 VAL 9 4.944 -49.646 2.402 63 HG21 VAL 9 3HG2 VAL 9 6.262 -51.631 -0.494 64 HG22 VAL 9 1HG2 VAL 9 5.009 -50.477 0.003 65 HG23 VAL 9 2HG2 VAL 9 6.679 -49.925 -0.218 66 H ASP 10 H ASP 10 9.400 -51.013 3.598 67 HA ASP 10 HA ASP 10 10.576 -49.275 4.269 68 HB2 ASP 10 2HB ASP 10 11.955 -50.550 2.374 69 HB3 ASP 10 3HB ASP 10 11.904 -48.973 1.588 70 H SER 11 H SER 11 11.617 -46.889 3.155 71 HA SER 11 HA SER 11 9.341 -45.449 1.954 72 HB2 SER 11 2HB SER 11 9.138 -45.680 4.607 73 HB3 SER 11 3HB SER 11 10.294 -44.336 4.591 74 HG SER 11 HG SER 11 7.716 -44.520 3.408 75 H ASN 12 H ASN 12 9.938 -42.889 2.342 76 HA ASN 12 HA ASN 12 12.743 -42.525 1.386 77 HB2 ASN 12 2HB ASN 12 10.490 -42.314 -0.249 78 HB3 ASN 12 3HB ASN 12 10.860 -40.645 0.152 79 HD21 ASN 12 1HD2 ASN 12 12.760 -43.680 -0.595 80 HD22 ASN 12 2HD2 ASN 12 13.812 -42.835 -1.694 81 HA PRO 13 HA PRO 13 13.233 -39.873 4.518 82 HB2 PRO 13 2HB PRO 13 15.229 -38.221 3.768 83 HB3 PRO 13 3HB PRO 13 15.394 -39.999 3.701 84 HG2 PRO 13 2HG PRO 13 14.877 -38.094 1.424 85 HG3 PRO 13 3HG PRO 13 15.880 -39.573 1.442 86 HD2 PRO 13 2HD PRO 13 13.195 -39.323 0.563 87 HD3 PRO 13 3HD PRO 13 14.003 -40.871 0.885 88 H ALA 14 H ALA 14 11.344 -38.859 4.990 89 HA ALA 14 HA ALA 14 10.890 -36.082 4.006 90 HB1 ALA 14 1HB ALA 14 9.348 -37.769 3.180 91 HB2 ALA 14 2HB ALA 14 8.880 -38.177 4.850 92 HB3 ALA 14 3HB ALA 14 8.538 -36.547 4.193 93 HA PRO 15 HA PRO 15 11.718 -35.624 8.582 94 HB2 PRO 15 2HB PRO 15 13.182 -33.290 8.407 95 HB3 PRO 15 3HB PRO 15 13.882 -34.911 8.140 96 HG2 PRO 15 2HG PRO 15 12.875 -32.938 6.069 97 HG3 PRO 15 3HG PRO 15 14.445 -33.804 6.101 98 HD2 PRO 15 2HD PRO 15 12.349 -34.699 4.643 99 HD3 PRO 15 3HD PRO 15 13.438 -35.843 5.487 100 HA PRO 16 HA PRO 16 8.507 -32.579 9.265 101 HB2 PRO 16 2HB PRO 16 9.100 -31.364 11.640 102 HB3 PRO 16 3HB PRO 16 8.711 -33.097 11.479 103 HG2 PRO 16 2HG PRO 16 11.479 -31.836 11.545 104 HG3 PRO 16 3HG PRO 16 10.850 -33.158 12.584 105 HD2 PRO 16 2HD PRO 16 12.287 -33.687 10.355 106 HD3 PRO 16 3HD PRO 16 10.884 -34.709 10.796 107 H GLU 17 H GLU 17 10.272 -31.705 7.360 108 HA GLU 17 HA GLU 17 10.473 -28.739 7.591 109 HB2 GLU 17 2HB GLU 17 12.244 -30.475 6.447 110 HB3 GLU 17 3HB GLU 17 11.200 -29.987 5.119 111 HG2 GLU 17 2HG GLU 17 11.631 -27.579 5.758 112 HG3 GLU 17 3HG GLU 17 12.816 -28.162 6.913 113 H SER 18 H SER 18 9.794 -27.780 5.339 114 HA SER 18 HA SER 18 8.840 -28.077 3.266 115 HB2 SER 18 2HB SER 18 6.626 -28.950 2.789 116 HB3 SER 18 3HB SER 18 7.720 -30.149 3.456 117 HG SER 18 HG SER 18 6.743 -29.931 5.427 118 H GLN 19 H GLN 19 6.009 -27.554 5.327 119 HA GLN 19 HA GLN 19 5.876 -24.823 4.208 120 HB2 GLN 19 2HB GLN 19 3.416 -25.184 3.973 121 HB3 GLN 19 3HB GLN 19 4.459 -26.137 2.908 122 HG2 GLN 19 2HG GLN 19 4.088 -28.145 4.258 123 HG3 GLN 19 3HG GLN 19 3.141 -27.225 5.422 124 HE21 GLN 19 1HE2 GLN 19 0.968 -27.479 5.183 125 HE22 GLN 19 2HE2 GLN 19 0.200 -27.914 3.655 126 H GLU 20 H GLU 20 5.883 -23.247 5.688 127 HA GLU 20 HA GLU 20 4.738 -23.761 8.393 128 HB2 GLU 20 2HB GLU 20 6.597 -22.815 9.451 129 HB3 GLU 20 3HB GLU 20 7.195 -24.059 8.387 130 HG2 GLU 20 2HG GLU 20 8.035 -22.443 6.792 131 HG3 GLU 20 3HG GLU 20 7.212 -21.115 7.609 132 H LYS 21 H LYS 21 5.173 -21.456 9.630 133 HA LYS 21 HA LYS 21 3.806 -19.312 8.112 134 HB2 LYS 21 2HB LYS 21 2.294 -18.946 10.070 135 HB3 LYS 21 3HB LYS 21 1.927 -20.334 9.063 136 HG2 LYS 21 2HG LYS 21 2.346 -21.883 10.680 137 HG3 LYS 21 3HG LYS 21 3.655 -20.977 11.434 138 HD2 LYS 21 2HD LYS 21 0.728 -20.193 11.671 139 HD3 LYS 21 3HD LYS 21 1.572 -21.197 12.845 140 HE2 LYS 21 2HE LYS 21 3.034 -18.700 12.138 141 HE3 LYS 21 3HE LYS 21 1.440 -18.416 12.867 142 HZ1 LYS 21 3HZ LYS 21 3.215 -18.589 14.534 143 HZ2 LYS 21 1HZ LYS 21 3.561 -20.092 14.098 144 HZ3 LYS 21 2HZ LYS 21 2.065 -19.758 14.735 145 H LYS 22 H LYS 22 5.377 -17.918 8.103 146 HA LYS 22 HA LYS 22 7.475 -17.575 9.845 147 HB2 LYS 22 2HB LYS 22 7.850 -15.396 8.831 148 HB3 LYS 22 3HB LYS 22 7.328 -16.561 7.620 149 HG2 LYS 22 2HG LYS 22 5.013 -15.586 7.730 150 HG3 LYS 22 3HG LYS 22 5.574 -14.427 8.938 151 HD2 LYS 22 2HD LYS 22 5.450 -13.374 6.774 152 HD3 LYS 22 3HD LYS 22 7.139 -13.438 7.303 153 HE2 LYS 22 2HE LYS 22 7.641 -15.249 5.784 154 HE3 LYS 22 3HE LYS 22 5.916 -15.546 5.487 155 HZ1 LYS 22 3HZ LYS 22 7.430 -13.151 4.581 156 HZ2 LYS 22 1HZ LYS 22 5.779 -13.392 4.404 157 HZ3 LYS 22 2HZ LYS 22 6.850 -14.343 3.645 158 HA PRO 23 HA PRO 23 5.969 -15.539 13.506 159 HB2 PRO 23 2HB PRO 23 8.207 -14.265 14.424 160 HB3 PRO 23 3HB PRO 23 8.026 -16.044 14.451 161 HG2 PRO 23 2HG PRO 23 9.450 -14.347 12.375 162 HG3 PRO 23 3HG PRO 23 10.056 -15.815 13.211 163 HD2 PRO 23 2HD PRO 23 8.944 -15.917 10.728 164 HD3 PRO 23 3HD PRO 23 8.688 -17.228 11.911 165 H LEU 24 H LEU 24 5.423 -13.509 14.341 166 HA LEU 24 HA LEU 24 5.988 -11.046 12.834 167 HB2 LEU 24 2HB LEU 24 3.232 -12.194 13.436 168 HB3 LEU 24 3HB LEU 24 3.471 -10.470 13.213 169 HG LEU 24 HG LEU 24 4.192 -12.538 11.077 170 HD11 LEU 24 1HD1 LEU 24 1.699 -10.809 11.362 171 HD12 LEU 24 2HD1 LEU 24 1.781 -12.575 11.516 172 HD13 LEU 24 3HD1 LEU 24 2.117 -11.821 9.950 173 HD21 LEU 24 3HD2 LEU 24 3.900 -9.486 11.031 174 HD22 LEU 24 1HD2 LEU 24 4.096 -10.517 9.589 175 HD23 LEU 24 2HD2 LEU 24 5.393 -10.428 10.781 176 H LYS 25 H LYS 25 5.476 -9.156 14.163 177 HA LYS 25 HA LYS 25 5.522 -9.439 17.092 178 HB2 LYS 25 2HB LYS 25 7.946 -8.810 15.350 179 HB3 LYS 25 3HB LYS 25 7.822 -8.074 16.937 180 HG2 LYS 25 2HG LYS 25 7.611 -10.313 17.991 181 HG3 LYS 25 3HG LYS 25 7.801 -11.069 16.399 182 HD2 LYS 25 2HD LYS 25 10.057 -10.158 16.171 183 HD3 LYS 25 3HD LYS 25 9.911 -9.346 17.753 184 HE2 LYS 25 2HE LYS 25 9.652 -11.476 18.896 185 HE3 LYS 25 3HE LYS 25 9.524 -12.348 17.366 186 HZ1 LYS 25 3HZ LYS 25 11.814 -11.864 16.891 187 HZ2 LYS 25 1HZ LYS 25 11.710 -12.555 18.374 188 HZ3 LYS 25 2HZ LYS 25 11.990 -10.954 18.258 189 HA PRO 26 HA PRO 26 3.990 -5.242 16.815 190 HB2 PRO 26 2HB PRO 26 5.146 -3.907 18.931 191 HB3 PRO 26 3HB PRO 26 3.838 -5.123 19.106 192 HG2 PRO 26 2HG PRO 26 6.829 -5.539 19.407 193 HG3 PRO 26 3HG PRO 26 5.518 -6.074 20.504 194 HD2 PRO 26 2HD PRO 26 6.599 -7.759 18.694 195 HD3 PRO 26 3HD PRO 26 4.851 -7.794 19.021 196 H CYS 27 H CYS 27 4.439 -3.531 15.602 197 HA CYS 27 HA CYS 27 6.966 -2.154 15.453 198 HB2 CYS 27 2HB CYS 27 7.336 -2.599 13.038 199 HB3 CYS 27 3HB CYS 27 7.478 -4.072 14.004 200 HG CYS 27 HG CYS 27 5.144 -5.035 13.538 201 H CYS 28 H CYS 28 6.759 -0.327 13.733 202 HA CYS 28 HA CYS 28 3.927 0.671 13.728 203 HB2 CYS 28 2HB CYS 28 6.559 2.163 14.193 204 HB3 CYS 28 3HB CYS 28 4.985 2.927 13.998 205 HG CYS 28 HG CYS 28 5.837 0.667 16.278 206 H ALA 29 H ALA 29 5.774 -0.631 11.484 207 HA ALA 29 HA ALA 29 5.693 1.416 9.450 208 HB1 ALA 29 1HB ALA 29 6.294 -0.353 7.911 209 HB2 ALA 29 2HB ALA 29 7.321 -0.415 9.369 210 HB3 ALA 29 3HB ALA 29 5.985 -1.585 9.151 211 H CYS 30 H CYS 30 3.259 1.705 10.330 212 HA CYS 30 HA CYS 30 1.016 1.632 9.823 213 HB2 CYS 30 2HB CYS 30 2.177 1.436 7.161 214 HB3 CYS 30 3HB CYS 30 0.600 2.028 7.538 215 HA PRO 31 HA PRO 31 0.497 -3.252 8.933 216 HB2 PRO 31 2HB PRO 31 -1.059 -3.411 11.172 217 HB3 PRO 31 3HB PRO 31 0.650 -3.850 11.158 218 HG2 PRO 31 2HG PRO 31 -0.648 -1.287 12.102 219 HG3 PRO 31 3HG PRO 31 0.707 -2.191 12.854 220 HD2 PRO 31 2HD PRO 31 1.167 0.021 11.354 221 HD3 PRO 31 3HD PRO 31 2.255 -1.377 11.240 222 H GLU 32 H GLU 32 -1.966 -0.880 10.128 223 HA GLU 32 HA GLU 32 -4.035 -2.182 8.653 224 HB2 GLU 32 2HB GLU 32 -4.822 0.345 8.266 225 HB3 GLU 32 3HB GLU 32 -5.095 -0.552 9.644 226 HG2 GLU 32 2HG GLU 32 -3.112 0.558 10.771 227 HG3 GLU 32 3HG GLU 32 -2.966 1.591 9.255 228 H THR 33 H THR 33 -1.730 0.340 7.449 229 HA THR 33 HA THR 33 -3.300 0.394 5.016 230 HB THR 33 HB THR 33 -1.634 1.941 4.100 231 HG1 THR 33 1HG THR 33 0.059 2.609 5.477 232 HG21 THR 33 1HG2 THR 33 -3.329 2.837 5.717 233 HG22 THR 33 2HG2 THR 33 -1.848 3.787 5.602 234 HG23 THR 33 3HG2 THR 33 -2.105 2.705 7.000 235 H LYS 34 H LYS 34 -0.021 -0.783 5.798 236 HA LYS 34 HA LYS 34 0.840 -2.015 3.391 237 HB2 LYS 34 2HB LYS 34 2.187 -1.646 5.422 238 HB3 LYS 34 3HB LYS 34 1.052 -2.542 6.403 239 HG2 LYS 34 2HG LYS 34 3.186 -3.736 4.653 240 HG3 LYS 34 3HG LYS 34 3.018 -3.566 6.406 241 HD2 LYS 34 2HD LYS 34 0.952 -5.098 6.163 242 HD3 LYS 34 3HD LYS 34 1.770 -5.641 4.682 243 HE2 LYS 34 2HE LYS 34 2.786 -5.626 7.578 244 HE3 LYS 34 3HE LYS 34 2.213 -7.039 6.687 245 HZ1 LYS 34 3HZ LYS 34 4.124 -6.771 5.197 246 HZ2 LYS 34 1HZ LYS 34 4.598 -6.969 6.759 247 HZ3 LYS 34 2HZ LYS 34 4.692 -5.508 6.049 248 H LYS 35 H LYS 35 -0.807 -3.571 6.063 249 HA LYS 35 HA LYS 35 -1.339 -6.117 4.912 250 HB2 LYS 35 2HB LYS 35 -1.404 -5.367 7.238 251 HB3 LYS 35 3HB LYS 35 -2.926 -4.643 7.058 252 HG2 LYS 35 2HG LYS 35 -4.002 -6.731 7.009 253 HG3 LYS 35 3HG LYS 35 -2.781 -7.382 5.900 254 HD2 LYS 35 2HD LYS 35 -2.425 -7.142 8.859 255 HD3 LYS 35 3HD LYS 35 -2.784 -8.604 7.911 256 HE2 LYS 35 2HE LYS 35 -0.655 -8.348 6.693 257 HE3 LYS 35 3HE LYS 35 -0.227 -6.974 7.738 258 HZ1 LYS 35 3HZ LYS 35 -0.724 -9.760 8.593 259 HZ2 LYS 35 1HZ LYS 35 -0.378 -8.519 9.647 260 HZ3 LYS 35 2HZ LYS 35 0.722 -9.047 8.501 261 H ALA 36 H ALA 36 -3.517 -3.356 5.135 262 HA ALA 36 HA ALA 36 -5.650 -4.419 3.524 263 HB1 ALA 36 1HB ALA 36 -6.464 -2.111 3.347 264 HB2 ALA 36 2HB ALA 36 -5.980 -2.476 5.003 265 HB3 ALA 36 3HB ALA 36 -4.926 -1.479 3.968 266 H ARG 37 H ARG 37 -2.813 -2.430 2.548 267 HA ARG 37 HA ARG 37 -3.265 -2.082 -0.245 268 HB2 ARG 37 2HB ARG 37 -0.937 -1.569 1.201 269 HB3 ARG 37 3HB ARG 37 -0.539 -3.144 0.829 270 HG2 ARG 37 2HG ARG 37 -1.567 -1.889 -1.464 271 HG3 ARG 37 3HG ARG 37 -0.548 -0.715 -0.712 272 HD2 ARG 37 2HD ARG 37 0.015 -2.719 -2.595 273 HD3 ARG 37 3HD ARG 37 0.921 -1.639 -1.738 274 HE ARG 37 HE ARG 37 0.671 -4.132 -0.439 275 HH11 ARG 37 1HH1 ARG 37 2.821 -1.694 -1.902 276 HH12 ARG 37 2HH1 ARG 37 4.231 -2.347 -1.099 277 HH21 ARG 37 1HH2 ARG 37 2.679 -4.919 0.385 278 HH22 ARG 37 2HH2 ARG 37 4.181 -4.011 0.081 279 H ASP 38 H ASP 38 -1.553 -4.692 1.323 280 HA ASP 38 HA ASP 38 -0.839 -5.990 -0.929 281 HB2 ASP 38 2HB ASP 38 -0.979 -6.419 2.026 282 HB3 ASP 38 3HB ASP 38 -1.035 -7.981 1.196 283 H ALA 39 H ALA 39 -3.652 -6.528 1.220 284 HA ALA 39 HA ALA 39 -4.922 -8.780 0.144 285 HB1 ALA 39 1HB ALA 39 -6.909 -7.858 1.262 286 HB2 ALA 39 2HB ALA 39 -5.474 -7.631 2.286 287 HB3 ALA 39 3HB ALA 39 -6.140 -6.265 1.355 288 H CYS 40 H CYS 40 -5.458 -5.301 -0.913 289 HA CYS 40 HA CYS 40 -7.339 -5.990 -2.984 290 HB2 CYS 40 2HB CYS 40 -6.742 -3.753 -1.977 291 HB3 CYS 40 3HB CYS 40 -5.222 -3.801 -2.785 292 H ILE 41 H ILE 41 -3.784 -5.628 -3.000 293 HA ILE 41 HA ILE 41 -3.332 -6.115 -5.778 294 HB ILE 41 HB ILE 41 -1.582 -6.224 -3.318 295 HG12 ILE 41 2HG1 ILE 41 -0.421 -4.462 -4.842 296 HG13 ILE 41 3HG1 ILE 41 -1.858 -4.432 -5.754 297 HG21 ILE 41 1HG2 ILE 41 -0.702 -7.049 -6.098 298 HG22 ILE 41 2HG2 ILE 41 0.402 -6.579 -4.792 299 HG23 ILE 41 3HG2 ILE 41 -0.609 -8.010 -4.605 300 HD11 ILE 41 3HD1 ILE 41 -1.654 -3.851 -2.838 301 HD12 ILE 41 1HD1 ILE 41 -1.804 -2.634 -4.129 302 HD13 ILE 41 2HD1 ILE 41 -3.146 -3.735 -3.781 303 H ILE 42 H ILE 42 -3.538 -8.444 -3.109 304 HA ILE 42 HA ILE 42 -2.855 -10.840 -4.453 305 HB ILE 42 HB ILE 42 -4.829 -10.101 -2.268 306 HG12 ILE 42 2HG1 ILE 42 -2.147 -11.571 -2.280 307 HG13 ILE 42 3HG1 ILE 42 -2.345 -9.874 -1.804 308 HG21 ILE 42 1HG2 ILE 42 -5.915 -11.915 -3.191 309 HG22 ILE 42 2HG2 ILE 42 -4.407 -12.861 -3.379 310 HG23 ILE 42 3HG2 ILE 42 -5.081 -12.539 -1.766 311 HD11 ILE 42 3HD1 ILE 42 -3.859 -10.693 0.076 312 HD12 ILE 42 1HD1 ILE 42 -3.348 -12.344 -0.331 313 HD13 ILE 42 2HD1 ILE 42 -2.152 -11.155 0.188 314 H GLU 43 H GLU 43 -5.903 -9.061 -4.477 315 HA GLU 43 HA GLU 43 -7.336 -11.166 -5.847 316 HB2 GLU 43 2HB GLU 43 -7.592 -9.348 -3.748 317 HB3 GLU 43 3HB GLU 43 -8.471 -8.533 -4.961 318 HG2 GLU 43 2HG GLU 43 -8.917 -11.343 -3.914 319 HG3 GLU 43 3HG GLU 43 -9.647 -9.840 -3.386 320 H LYS 44 H LYS 44 -6.847 -7.644 -6.355 321 HA LYS 44 HA LYS 44 -7.573 -7.924 -9.268 322 HB2 LYS 44 2HB LYS 44 -7.498 -5.456 -7.471 323 HB3 LYS 44 3HB LYS 44 -8.056 -5.524 -9.144 324 HG2 LYS 44 2HG LYS 44 -9.365 -6.903 -6.741 325 HG3 LYS 44 3HG LYS 44 -9.966 -5.504 -7.635 326 HD2 LYS 44 2HD LYS 44 -9.930 -6.933 -9.727 327 HD3 LYS 44 3HD LYS 44 -9.490 -8.306 -8.699 328 HE2 LYS 44 2HE LYS 44 -11.628 -7.940 -7.410 329 HE3 LYS 44 3HE LYS 44 -12.135 -6.857 -8.736 330 HZ1 LYS 44 3HZ LYS 44 -11.383 -9.703 -8.883 331 HZ2 LYS 44 1HZ LYS 44 -11.567 -8.811 -10.242 332 HZ3 LYS 44 2HZ LYS 44 -12.870 -9.083 -9.251 333 H GLY 45 H GLY 45 -4.887 -7.137 -7.341 334 HA2 GLY 45 1HA GLY 45 -2.663 -7.240 -8.303 335 HA3 GLY 45 2HA GLY 45 -3.314 -6.868 -9.880 336 H GLU 46 H GLU 46 -1.084 -5.564 -9.006 337 HA GLU 46 HA GLU 46 -1.465 -3.171 -7.433 338 HB2 GLU 46 2HB GLU 46 0.628 -4.115 -9.462 339 HB3 GLU 46 3HB GLU 46 0.859 -2.681 -8.467 340 HG2 GLU 46 2HG GLU 46 1.057 -3.933 -6.468 341 HG3 GLU 46 3HG GLU 46 0.314 -5.368 -7.169 342 H GLU 47 H GLU 47 -1.505 -3.906 -10.921 343 HA GLU 47 HA GLU 47 -1.813 -1.244 -11.768 344 HB2 GLU 47 2HB GLU 47 -2.321 -2.262 -13.941 345 HB3 GLU 47 3HB GLU 47 -0.955 -2.991 -13.111 346 HG2 GLU 47 2HG GLU 47 -3.115 -4.605 -12.292 347 HG3 GLU 47 3HG GLU 47 -3.492 -4.226 -13.974 348 H HIS 48 H HIS 48 -4.070 -2.903 -9.973 349 HA HIS 48 HA HIS 48 -6.353 -1.273 -10.987 350 HB2 HIS 48 2HB HIS 48 -6.156 -4.156 -10.043 351 HB3 HIS 48 3HB HIS 48 -7.662 -3.295 -10.065 352 HD2 HIS 48 2HD HIS 48 -5.646 -5.485 -12.131 353 HE1 HIS 48 1HE HIS 48 -8.019 -3.416 -15.007 354 HE2 HIS 48 2HE HIS 48 -6.486 -5.431 -14.647 355 H CYS 49 H CYS 49 -4.174 -2.075 -8.514 356 HA CYS 49 HA CYS 49 -5.775 -0.897 -6.321 357 HB2 CYS 49 2HB CYS 49 -3.597 -3.004 -6.315 358 HB3 CYS 49 3HB CYS 49 -4.231 -2.376 -5.006 359 H GLY 50 H GLY 50 -3.492 0.319 -8.310 360 HA2 GLY 50 1HA GLY 50 -1.694 1.106 -6.158 361 HA3 GLY 50 2HA GLY 50 -1.414 1.557 -7.746 362 H HIS 51 H HIS 51 -4.693 2.337 -6.916 363 HA HIS 51 HA HIS 51 -4.219 4.886 -5.552 364 HB2 HIS 51 2HB HIS 51 -6.556 4.798 -5.012 365 HB3 HIS 51 3HB HIS 51 -6.337 4.359 -6.707 366 HD2 HIS 51 2HD HIS 51 -8.209 3.255 -3.719 367 HE1 HIS 51 1HE HIS 51 -7.848 -0.304 -6.027 368 HE2 HIS 51 2HE HIS 51 -9.070 0.780 -4.095 369 H LEU 52 H LEU 52 -4.853 1.495 -4.558 370 HA LEU 52 HA LEU 52 -4.402 1.988 -1.730 371 HB2 LEU 52 2HB LEU 52 -4.773 -0.447 -3.526 372 HB3 LEU 52 3HB LEU 52 -3.816 -0.830 -2.321 373 HG LEU 52 HG LEU 52 -6.635 -0.734 -2.541 374 HD11 LEU 52 1HD1 LEU 52 -6.758 -1.509 -0.215 375 HD12 LEU 52 2HD1 LEU 52 -5.129 -0.881 0.105 376 HD13 LEU 52 3HD1 LEU 52 -5.359 -2.231 -1.020 377 HD21 LEU 52 3HD2 LEU 52 -5.957 1.344 -0.449 378 HD22 LEU 52 1HD2 LEU 52 -7.564 0.706 -0.886 379 HD23 LEU 52 2HD2 LEU 52 -6.634 1.694 -2.049 380 H ILE 53 H ILE 53 -2.219 1.322 -4.396 381 HA ILE 53 HA ILE 53 -0.025 0.909 -2.581 382 HB ILE 53 HB ILE 53 0.152 1.795 -5.471 383 HG12 ILE 53 2HG1 ILE 53 0.732 -0.928 -4.319 384 HG13 ILE 53 3HG1 ILE 53 -0.898 -0.545 -4.541 385 HG21 ILE 53 1HG2 ILE 53 2.207 0.609 -3.537 386 HG22 ILE 53 2HG2 ILE 53 2.482 0.866 -5.272 387 HG23 ILE 53 3HG2 ILE 53 2.257 2.263 -4.214 388 HD11 ILE 53 3HD1 ILE 53 -0.045 -1.828 -6.407 389 HD12 ILE 53 1HD1 ILE 53 -0.208 -0.198 -7.075 390 HD13 ILE 53 2HD1 ILE 53 1.382 -0.793 -6.583 391 H GLU 54 H GLU 54 -1.134 3.903 -4.189 392 HA GLU 54 HA GLU 54 1.060 5.609 -3.442 393 HB2 GLU 54 2HB GLU 54 -1.751 6.131 -4.441 394 HB3 GLU 54 3HB GLU 54 -0.538 7.374 -4.253 395 HG2 GLU 54 2HG GLU 54 0.084 4.948 -6.000 396 HG3 GLU 54 3HG GLU 54 -0.958 6.239 -6.609 397 H ALA 55 H ALA 55 -2.329 5.178 -2.296 398 HA ALA 55 HA ALA 55 -2.304 7.227 -0.366 399 HB1 ALA 55 1HB ALA 55 -4.159 5.793 0.666 400 HB2 ALA 55 2HB ALA 55 -4.358 6.089 -1.072 401 HB3 ALA 55 3HB ALA 55 -3.762 4.511 -0.507 402 H HIS 56 H HIS 56 -1.289 3.863 -0.297 403 HA HIS 56 HA HIS 56 -0.426 3.845 2.473 404 HB2 HIS 56 2HB HIS 56 -0.301 1.675 0.314 405 HB3 HIS 56 3HB HIS 56 0.132 1.534 1.999 406 HD2 HIS 56 2HD HIS 56 -2.422 -0.111 0.812 407 HE1 HIS 56 1HE HIS 56 -4.950 2.734 2.739 408 HE2 HIS 56 2HE HIS 56 -4.834 0.386 1.730 409 H LYS 57 H LYS 57 1.159 4.206 -0.668 410 HA LYS 57 HA LYS 57 3.733 3.935 -0.071 411 HB2 LYS 57 2HB LYS 57 2.330 4.524 -2.179 412 HB3 LYS 57 3HB LYS 57 2.555 6.104 -1.921 413 HG2 LYS 57 2HG LYS 57 5.150 5.227 -1.772 414 HG3 LYS 57 3HG LYS 57 4.353 3.760 -2.376 415 HD2 LYS 57 2HD LYS 57 3.619 5.128 -4.401 416 HD3 LYS 57 3HD LYS 57 4.615 6.460 -3.804 417 HE2 LYS 57 2HE LYS 57 6.160 3.981 -3.811 418 HE3 LYS 57 3HE LYS 57 5.388 4.174 -5.376 419 HZ1 LYS 57 3HZ LYS 57 7.258 6.155 -4.121 420 HZ2 LYS 57 1HZ LYS 57 6.461 6.404 -5.506 421 HZ3 LYS 57 2HZ LYS 57 7.575 5.186 -5.351 422 H GLU 58 H GLU 58 1.920 6.938 0.204 423 HA GLU 58 HA GLU 58 4.000 8.389 1.503 424 HB2 GLU 58 2HB GLU 58 2.584 9.952 2.487 425 HB3 GLU 58 3HB GLU 58 2.316 9.756 0.755 426 HG2 GLU 58 2HG GLU 58 0.327 8.762 1.033 427 HG3 GLU 58 3HG GLU 58 0.569 8.254 2.703 428 H CYS 59 H CYS 59 1.694 6.215 2.938 429 HA CYS 59 HA CYS 59 2.344 6.685 5.672 430 HB2 CYS 59 2HB CYS 59 0.391 5.417 4.625 431 HB3 CYS 59 3HB CYS 59 1.390 3.994 4.558 432 H MET 60 H MET 60 3.864 4.419 3.312 433 HA MET 60 HA MET 60 5.993 3.610 5.192 434 HB2 MET 60 2HB MET 60 5.660 3.445 2.162 435 HB3 MET 60 3HB MET 60 7.172 3.070 2.991 436 HG2 MET 60 2HG MET 60 6.271 1.013 2.743 437 HG3 MET 60 3HG MET 60 5.874 1.394 4.414 438 HE1 MET 60 3HE MET 60 3.705 0.587 5.310 439 HE2 MET 60 1HE MET 60 3.288 2.302 5.062 440 HE3 MET 60 2HE MET 60 2.143 1.027 4.583 441 H ARG 61 H ARG 61 5.733 6.217 2.674 442 HA ARG 61 HA ARG 61 8.500 6.948 2.785 443 HB2 ARG 61 2HB ARG 61 7.978 8.421 1.217 444 HB3 ARG 61 3HB ARG 61 6.356 7.733 1.263 445 HG2 ARG 61 2HG ARG 61 5.686 9.601 2.814 446 HG3 ARG 61 3HG ARG 61 7.332 10.244 2.616 447 HD2 ARG 61 2HD ARG 61 6.949 10.451 0.171 448 HD3 ARG 61 3HD ARG 61 5.353 9.753 0.344 449 HE ARG 61 HE ARG 61 4.511 11.706 1.356 450 HH11 ARG 61 1HH1 ARG 61 7.825 12.251 0.296 451 HH12 ARG 61 2HH1 ARG 61 7.723 13.949 0.680 452 HH21 ARG 61 1HH2 ARG 61 4.541 13.940 1.772 453 HH22 ARG 61 2HH2 ARG 61 6.041 14.808 1.503 454 H ALA 62 H ALA 62 5.793 8.138 4.727 455 HA ALA 62 HA ALA 62 6.981 10.113 6.268 456 HB1 ALA 62 1HB ALA 62 4.599 9.534 6.258 457 HB2 ALA 62 2HB ALA 62 4.951 7.966 7.022 458 HB3 ALA 62 3HB ALA 62 5.216 9.473 7.921 459 H LEU 63 H LEU 63 7.648 6.669 6.454 460 HA LEU 63 HA LEU 63 8.832 6.659 9.112 461 HB2 LEU 63 2HB LEU 63 9.105 4.726 6.772 462 HB3 LEU 63 3HB LEU 63 9.488 4.367 8.420 463 HG LEU 63 HG LEU 63 6.749 4.872 7.189 464 HD11 LEU 63 1HD1 LEU 63 7.747 2.408 8.552 465 HD12 LEU 63 2HD1 LEU 63 7.512 2.714 6.791 466 HD13 LEU 63 3HD1 LEU 63 6.125 2.709 7.848 467 HD21 LEU 63 3HD2 LEU 63 6.718 5.892 9.391 468 HD22 LEU 63 1HD2 LEU 63 7.423 4.399 10.095 469 HD23 LEU 63 2HD2 LEU 63 5.771 4.395 9.392 470 H GLY 64 H GLY 64 9.995 7.468 5.933 471 HA2 GLY 64 1HA GLY 64 12.141 8.069 5.265 472 HA3 GLY 64 2HA GLY 64 12.872 7.401 6.736 473 H PHE 65 H PHE 65 10.588 6.006 4.413 474 HA PHE 65 HA PHE 65 12.461 3.794 3.573 475 HB2 PHE 65 2HB PHE 65 9.460 4.254 3.496 476 HB3 PHE 65 3HB PHE 65 10.159 2.992 2.608 477 HD1 PHE 65 1HD PHE 65 11.359 3.642 6.143 478 HD2 PHE 65 2HD PHE 65 8.626 1.473 3.597 479 HE1 PHE 65 1HE PHE 65 10.805 2.166 7.998 480 HE2 PHE 65 2HE PHE 65 7.946 0.103 5.521 481 HZ PHE 65 HZ PHE 65 9.003 0.493 7.744 482 H LYS 66 H LYS 66 11.678 3.054 1.243 483 HA LYS 66 HA LYS 66 13.032 5.074 -0.318 484 HB2 LYS 66 2HB LYS 66 12.675 2.141 -0.892 485 HB3 LYS 66 3HB LYS 66 13.853 3.282 -1.576 486 HG2 LYS 66 2HG LYS 66 14.223 3.568 1.233 487 HG3 LYS 66 3HG LYS 66 13.790 1.878 1.050 488 HD2 LYS 66 2HD LYS 66 15.612 2.174 -0.956 489 HD3 LYS 66 3HD LYS 66 16.022 3.561 0.092 490 HE2 LYS 66 2HE LYS 66 16.372 1.967 1.999 491 HE3 LYS 66 3HE LYS 66 15.850 0.622 0.965 492 HZ1 LYS 66 3HZ LYS 66 17.844 1.014 -0.421 493 HZ2 LYS 66 1HZ LYS 66 18.175 0.601 1.123 494 HZ3 LYS 66 2HZ LYS 66 18.376 2.153 0.682 495 H ILE 67 H ILE 67 10.949 6.080 -0.406 496 HA ILE 67 HA ILE 67 9.057 5.150 -2.521 497 HB ILE 67 HB ILE 67 8.725 6.810 -0.036 498 HG12 ILE 67 2HG1 ILE 67 6.848 5.245 0.350 499 HG13 ILE 67 3HG1 ILE 67 7.243 4.389 -1.134 500 HG21 ILE 67 1HG2 ILE 67 6.249 7.084 -0.764 501 HG22 ILE 67 2HG2 ILE 67 7.432 8.127 -1.587 502 HG23 ILE 67 3HG2 ILE 67 6.782 6.684 -2.377 503 HD11 ILE 67 3HD1 ILE 67 9.259 3.535 -0.168 504 HD12 ILE 67 1HD1 ILE 67 9.043 4.597 1.260 505 HD13 ILE 67 2HD1 ILE 67 7.934 3.244 0.926 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -16.176 -56.293 36.632 2 H2 GLY 1 H2 GLY 1 -16.769 -57.821 36.791 3 H3 GLY 1 H3 GLY 1 -17.669 -56.525 37.224 4 HA2 GLY 1 2HA GLY 1 -16.915 -57.376 34.507 5 HA3 GLY 1 1HA GLY 1 -18.558 -57.217 35.159 6 H SER 2 H SER 2 -18.084 -55.960 32.776 7 HA SER 2 HA SER 2 -17.427 -53.105 33.373 8 HB2 SER 2 2HB SER 2 -16.087 -54.828 31.249 9 HB3 SER 2 3HB SER 2 -15.702 -53.149 31.692 10 HG SER 2 HG SER 2 -14.261 -54.568 32.677 11 H PHE 3 H PHE 3 -19.054 -51.918 32.567 12 HA PHE 3 HA PHE 3 -20.177 -52.529 29.870 13 HB2 PHE 3 2HB PHE 3 -21.265 -50.716 32.040 14 HB3 PHE 3 3HB PHE 3 -22.027 -51.063 30.498 15 HD1 PHE 3 2HD PHE 3 -21.749 -54.050 30.279 16 HD2 PHE 3 1HD PHE 3 -22.783 -51.527 33.629 17 HE1 PHE 3 2HE PHE 3 -23.020 -55.915 31.293 18 HE2 PHE 3 1HE PHE 3 -24.061 -53.399 34.633 19 HZ PHE 3 HZ PHE 3 -24.185 -55.593 33.470 20 H THR 4 H THR 4 -17.804 -51.759 29.509 21 HA THR 4 HA THR 4 -17.159 -48.965 29.168 22 HB THR 4 HB THR 4 -15.551 -49.879 27.552 23 HG1 THR 4 1HG THR 4 -17.026 -51.760 27.100 24 HG21 THR 4 1HG2 THR 4 -14.948 -49.770 29.945 25 HG22 THR 4 2HG2 THR 4 -14.184 -51.147 29.141 26 HG23 THR 4 3HG2 THR 4 -15.590 -51.402 30.192 27 H MET 5 H MET 5 -17.358 -47.644 27.261 28 HA MET 5 HA MET 5 -18.733 -48.824 24.911 29 HB2 MET 5 2HB MET 5 -20.450 -47.919 26.491 30 HB3 MET 5 3HB MET 5 -19.800 -46.298 26.220 31 HG2 MET 5 2HG MET 5 -20.383 -46.405 23.871 32 HG3 MET 5 3HG MET 5 -20.719 -48.137 23.972 33 HE1 MET 5 3HE MET 5 -24.211 -46.617 23.106 34 HE2 MET 5 1HE MET 5 -22.628 -46.016 22.568 35 HE3 MET 5 2HE MET 5 -22.942 -47.768 22.630 36 HA PRO 6 HA PRO 6 -15.225 -45.899 23.951 37 HB2 PRO 6 2HB PRO 6 -13.487 -47.529 22.678 38 HB3 PRO 6 3HB PRO 6 -13.666 -47.530 24.458 39 HG2 PRO 6 2HG PRO 6 -14.978 -49.419 22.467 40 HG3 PRO 6 3HG PRO 6 -14.064 -49.841 23.950 41 HD2 PRO 6 2HD PRO 6 -16.790 -49.668 23.928 42 HD3 PRO 6 3HD PRO 6 -15.823 -49.168 25.345 43 H GLY 7 H GLY 7 -17.284 -45.263 22.590 44 HA2 GLY 7 1HA GLY 7 -17.102 -45.932 19.749 45 HA3 GLY 7 2HA GLY 7 -18.172 -44.723 20.479 46 H LEU 8 H LEU 8 -15.834 -43.299 21.741 47 HA LEU 8 HA LEU 8 -14.086 -42.513 19.567 48 HB2 LEU 8 2HB LEU 8 -14.469 -40.189 19.642 49 HB3 LEU 8 3HB LEU 8 -15.971 -40.959 19.202 50 HG LEU 8 HG LEU 8 -15.444 -40.075 22.077 51 HD11 LEU 8 1HD1 LEU 8 -15.030 -38.134 20.604 52 HD12 LEU 8 2HD1 LEU 8 -16.520 -37.933 21.541 53 HD13 LEU 8 3HD1 LEU 8 -16.607 -38.394 19.822 54 HD21 LEU 8 3HD2 LEU 8 -17.999 -40.407 20.424 55 HD22 LEU 8 1HD2 LEU 8 -17.923 -39.791 22.092 56 HD23 LEU 8 2HD2 LEU 8 -17.464 -41.459 21.755 57 H VAL 9 H VAL 9 -12.400 -40.983 20.359 58 HA VAL 9 HA VAL 9 -11.360 -42.049 22.876 59 HB VAL 9 HB VAL 9 -9.220 -41.137 22.045 60 HG11 VAL 9 1HG1 VAL 9 -10.687 -42.734 19.911 61 HG12 VAL 9 2HG1 VAL 9 -8.939 -42.658 20.185 62 HG13 VAL 9 3HG1 VAL 9 -9.991 -43.408 21.400 63 HG21 VAL 9 3HG2 VAL 9 -10.745 -40.267 19.546 64 HG22 VAL 9 1HG2 VAL 9 -10.080 -39.163 20.769 65 HG23 VAL 9 2HG2 VAL 9 -8.998 -40.192 19.820 66 H ASP 10 H ASP 10 -13.330 -39.669 22.614 67 HA ASP 10 HA ASP 10 -13.807 -37.713 23.738 68 HB2 ASP 10 2HB ASP 10 -11.803 -38.230 25.354 69 HB3 ASP 10 3HB ASP 10 -10.930 -37.064 24.351 70 H SER 11 H SER 11 -12.659 -35.215 23.206 71 HA SER 11 HA SER 11 -11.520 -35.272 20.493 72 HB2 SER 11 2HB SER 11 -14.045 -35.403 20.228 73 HB3 SER 11 3HB SER 11 -14.113 -33.751 20.865 74 HG SER 11 HG SER 11 -13.895 -34.154 18.463 75 H ASN 12 H ASN 12 -11.600 -32.746 19.709 76 HA ASN 12 HA ASN 12 -10.159 -31.255 21.867 77 HB2 ASN 12 2HB ASN 12 -8.924 -32.318 19.776 78 HB3 ASN 12 3HB ASN 12 -9.475 -30.854 18.948 79 HD21 ASN 12 1HD2 ASN 12 -7.996 -32.009 21.992 80 HD22 ASN 12 2HD2 ASN 12 -6.923 -30.632 22.176 81 HA PRO 13 HA PRO 13 -13.002 -28.044 21.153 82 HB2 PRO 13 2HB PRO 13 -11.128 -25.869 21.763 83 HB3 PRO 13 3HB PRO 13 -12.403 -26.545 22.816 84 HG2 PRO 13 2HG PRO 13 -9.689 -26.871 23.326 85 HG3 PRO 13 3HG PRO 13 -10.937 -28.067 23.806 86 HD2 PRO 13 2HD PRO 13 -9.265 -28.030 21.278 87 HD3 PRO 13 3HD PRO 13 -9.469 -29.384 22.392 88 H ALA 14 H ALA 14 -13.655 -27.097 19.306 89 HA ALA 14 HA ALA 14 -13.746 -25.674 17.527 90 HB1 ALA 14 1HB ALA 14 -11.983 -24.138 17.049 91 HB2 ALA 14 2HB ALA 14 -11.831 -24.494 18.792 92 HB3 ALA 14 3HB ALA 14 -10.748 -25.267 17.636 93 HA PRO 15 HA PRO 15 -12.429 -28.271 14.051 94 HB2 PRO 15 2HB PRO 15 -12.723 -26.652 11.878 95 HB3 PRO 15 3HB PRO 15 -14.129 -27.261 12.808 96 HG2 PRO 15 2HG PRO 15 -12.742 -24.571 13.064 97 HG3 PRO 15 3HG PRO 15 -14.501 -24.898 12.913 98 HD2 PRO 15 2HD PRO 15 -13.270 -24.481 15.323 99 HD3 PRO 15 3HD PRO 15 -14.651 -25.606 15.150 100 HA PRO 16 HA PRO 16 -8.133 -27.099 13.334 101 HB2 PRO 16 2HB PRO 16 -7.389 -28.812 11.347 102 HB3 PRO 16 3HB PRO 16 -7.883 -29.391 12.961 103 HG2 PRO 16 2HG PRO 16 -9.637 -29.130 10.485 104 HG3 PRO 16 3HG PRO 16 -9.368 -30.593 11.493 105 HD2 PRO 16 2HD PRO 16 -11.498 -28.984 11.952 106 HD3 PRO 16 3HD PRO 16 -10.548 -29.681 13.307 107 H GLU 17 H GLU 17 -6.729 -26.931 11.100 108 HA GLU 17 HA GLU 17 -5.983 -25.385 9.581 109 HB2 GLU 17 2HB GLU 17 -7.913 -26.209 8.231 110 HB3 GLU 17 3HB GLU 17 -8.673 -24.722 8.798 111 HG2 GLU 17 2HG GLU 17 -6.781 -23.404 7.774 112 HG3 GLU 17 3HG GLU 17 -6.101 -24.921 7.188 113 H SER 18 H SER 18 -7.502 -22.800 9.058 114 HA SER 18 HA SER 18 -7.847 -20.750 9.831 115 HB2 SER 18 2HB SER 18 -8.905 -22.595 11.751 116 HB3 SER 18 3HB SER 18 -8.825 -20.943 12.284 117 HG SER 18 HG SER 18 -10.055 -21.976 9.908 118 H GLN 19 H GLN 19 -5.138 -22.093 11.281 119 HA GLN 19 HA GLN 19 -4.808 -19.828 13.202 120 HB2 GLN 19 2HB GLN 19 -5.791 -22.450 13.644 121 HB3 GLN 19 3HB GLN 19 -4.236 -22.438 14.367 122 HG2 GLN 19 2HG GLN 19 -4.893 -20.585 15.835 123 HG3 GLN 19 3HG GLN 19 -6.378 -20.341 14.898 124 HE21 GLN 19 1HE2 GLN 19 -7.315 -23.027 14.622 125 HE22 GLN 19 2HE2 GLN 19 -7.788 -23.535 16.229 126 H GLU 20 H GLU 20 -2.840 -19.238 13.852 127 HA GLU 20 HA GLU 20 -0.349 -20.413 12.852 128 HB2 GLU 20 2HB GLU 20 0.204 -18.496 11.467 129 HB3 GLU 20 3HB GLU 20 -1.314 -19.191 10.904 130 HG2 GLU 20 2HG GLU 20 -2.517 -17.395 12.286 131 HG3 GLU 20 3HG GLU 20 -0.944 -16.645 12.536 132 H LYS 21 H LYS 21 1.579 -19.152 13.655 133 HA LYS 21 HA LYS 21 1.147 -17.998 16.336 134 HB2 LYS 21 2HB LYS 21 3.627 -18.445 14.620 135 HB3 LYS 21 3HB LYS 21 3.669 -17.547 16.141 136 HG2 LYS 21 2HG LYS 21 2.783 -19.509 17.362 137 HG3 LYS 21 3HG LYS 21 2.788 -20.452 15.860 138 HD2 LYS 21 2HD LYS 21 5.219 -20.166 15.652 139 HD3 LYS 21 3HD LYS 21 5.270 -19.149 17.089 140 HE2 LYS 21 2HE LYS 21 4.356 -22.067 17.092 141 HE3 LYS 21 3HE LYS 21 6.015 -21.553 17.409 142 HZ1 LYS 21 3HZ LYS 21 5.195 -20.260 19.317 143 HZ2 LYS 21 1HZ LYS 21 4.835 -21.828 19.497 144 HZ3 LYS 21 2HZ LYS 21 3.657 -20.785 19.036 145 H LYS 22 H LYS 22 0.550 -15.937 16.652 146 HA LYS 22 HA LYS 22 0.621 -13.935 14.655 147 HB2 LYS 22 2HB LYS 22 0.025 -12.293 16.306 148 HB3 LYS 22 3HB LYS 22 -0.959 -13.744 16.452 149 HG2 LYS 22 2HG LYS 22 0.230 -14.411 18.480 150 HG3 LYS 22 3HG LYS 22 1.403 -13.111 18.269 151 HD2 LYS 22 2HD LYS 22 -0.132 -12.494 20.000 152 HD3 LYS 22 3HD LYS 22 -0.336 -11.403 18.646 153 HE2 LYS 22 2HE LYS 22 -2.150 -13.750 18.547 154 HE3 LYS 22 3HE LYS 22 -2.330 -12.841 20.036 155 HZ1 LYS 22 3HZ LYS 22 -3.765 -12.161 18.113 156 HZ2 LYS 22 1HZ LYS 22 -2.453 -11.519 17.396 157 HZ3 LYS 22 2HZ LYS 22 -2.970 -10.899 18.828 158 HA PRO 23 HA PRO 23 4.899 -13.083 14.602 159 HB2 PRO 23 2HB PRO 23 5.028 -10.910 12.948 160 HB3 PRO 23 3HB PRO 23 4.516 -12.528 12.386 161 HG2 PRO 23 2HG PRO 23 2.754 -10.203 13.226 162 HG3 PRO 23 3HG PRO 23 2.634 -11.202 11.738 163 HD2 PRO 23 2HD PRO 23 1.111 -11.704 13.943 164 HD3 PRO 23 3HD PRO 23 1.753 -13.034 12.926 165 H LEU 24 H LEU 24 6.567 -11.619 15.201 166 HA LEU 24 HA LEU 24 6.262 -10.548 17.725 167 HB2 LEU 24 2HB LEU 24 8.437 -10.024 15.662 168 HB3 LEU 24 3HB LEU 24 8.609 -9.724 17.385 169 HG LEU 24 HG LEU 24 8.125 -12.483 16.179 170 HD11 LEU 24 1HD1 LEU 24 10.679 -11.188 17.211 171 HD12 LEU 24 2HD1 LEU 24 10.312 -11.572 15.510 172 HD13 LEU 24 3HD1 LEU 24 10.503 -12.874 16.695 173 HD21 LEU 24 3HD2 LEU 24 8.866 -13.284 18.410 174 HD22 LEU 24 1HD2 LEU 24 7.376 -12.338 18.531 175 HD23 LEU 24 2HD2 LEU 24 8.931 -11.611 18.992 176 H LYS 25 H LYS 25 5.269 -8.748 15.055 177 HA LYS 25 HA LYS 25 5.335 -6.458 14.485 178 HB2 LYS 25 2HB LYS 25 3.853 -6.435 17.141 179 HB3 LYS 25 3HB LYS 25 3.674 -5.298 15.809 180 HG2 LYS 25 2HG LYS 25 2.953 -7.419 14.415 181 HG3 LYS 25 3HG LYS 25 2.774 -8.172 16.002 182 HD2 LYS 25 2HD LYS 25 0.605 -7.369 15.527 183 HD3 LYS 25 3HD LYS 25 1.284 -6.212 16.670 184 HE2 LYS 25 2HE LYS 25 0.238 -4.884 14.984 185 HE3 LYS 25 3HE LYS 25 1.978 -4.790 14.669 186 HZ1 LYS 25 3HZ LYS 25 1.230 -5.331 12.587 187 HZ2 LYS 25 1HZ LYS 25 -0.118 -6.067 13.120 188 HZ3 LYS 25 2HZ LYS 25 1.294 -6.892 13.166 189 HA PRO 26 HA PRO 26 8.639 -5.042 17.471 190 HB2 PRO 26 2HB PRO 26 10.861 -4.939 15.903 191 HB3 PRO 26 3HB PRO 26 10.210 -6.472 16.553 192 HG2 PRO 26 2HG PRO 26 9.702 -5.266 13.807 193 HG3 PRO 26 3HG PRO 26 10.268 -6.925 14.192 194 HD2 PRO 26 2HD PRO 26 7.637 -6.389 13.741 195 HD3 PRO 26 3HD PRO 26 8.149 -7.568 14.986 196 H CYS 27 H CYS 27 7.225 -3.481 14.773 197 HA CYS 27 HA CYS 27 8.019 -0.892 15.825 198 HB2 CYS 27 2HB CYS 27 9.894 -1.602 14.237 199 HB3 CYS 27 3HB CYS 27 8.707 -1.559 12.923 200 HG CYS 27 HG CYS 27 9.806 0.806 14.960 201 H CYS 28 H CYS 28 6.712 0.836 15.001 202 HA CYS 28 HA CYS 28 4.012 0.043 14.263 203 HB2 CYS 28 2HB CYS 28 5.192 2.843 14.646 204 HB3 CYS 28 3HB CYS 28 3.487 2.384 14.723 205 HG CYS 28 HG CYS 28 4.075 2.862 17.117 206 H ALA 29 H ALA 29 6.013 -0.323 12.056 207 HA ALA 29 HA ALA 29 5.581 1.785 10.118 208 HB1 ALA 29 1HB ALA 29 6.710 -1.012 9.788 209 HB2 ALA 29 2HB ALA 29 6.719 0.287 8.574 210 HB3 ALA 29 3HB ALA 29 7.638 0.491 10.094 211 H CYS 30 H CYS 30 3.222 1.751 10.432 212 HA CYS 30 HA CYS 30 1.059 1.303 9.696 213 HB2 CYS 30 2HB CYS 30 2.650 1.298 7.178 214 HB3 CYS 30 3HB CYS 30 0.973 1.773 7.397 215 HA PRO 31 HA PRO 31 0.809 -3.493 8.766 216 HB2 PRO 31 2HB PRO 31 -0.849 -3.701 10.913 217 HB3 PRO 31 3HB PRO 31 0.915 -4.031 11.032 218 HG2 PRO 31 2HG PRO 31 -0.598 -1.529 11.839 219 HG3 PRO 31 3HG PRO 31 0.687 -2.385 12.745 220 HD2 PRO 31 2HD PRO 31 1.220 -0.161 11.230 221 HD3 PRO 31 3HD PRO 31 2.386 -1.497 11.347 222 H GLU 32 H GLU 32 -1.633 -1.096 10.004 223 HA GLU 32 HA GLU 32 -3.654 -2.283 8.536 224 HB2 GLU 32 2HB GLU 32 -4.084 0.541 8.250 225 HB3 GLU 32 3HB GLU 32 -4.896 -0.670 9.186 226 HG2 GLU 32 2HG GLU 32 -2.852 -0.160 10.931 227 HG3 GLU 32 3HG GLU 32 -2.716 1.294 9.960 228 H THR 33 H THR 33 -1.327 0.099 7.257 229 HA THR 33 HA THR 33 -2.762 0.279 4.754 230 HB THR 33 HB THR 33 -1.013 1.709 3.965 231 HG1 THR 33 1HG THR 33 0.876 1.938 4.876 232 HG21 THR 33 1HG2 THR 33 -1.338 2.425 6.879 233 HG22 THR 33 2HG2 THR 33 -2.676 2.527 5.716 234 HG23 THR 33 3HG2 THR 33 -1.240 3.497 5.454 235 H LYS 34 H LYS 34 0.457 -1.128 5.549 236 HA LYS 34 HA LYS 34 1.030 -2.448 3.074 237 HB2 LYS 34 2HB LYS 34 2.566 -2.380 5.084 238 HB3 LYS 34 3HB LYS 34 1.363 -3.101 6.095 239 HG2 LYS 34 2HG LYS 34 3.057 -4.604 4.082 240 HG3 LYS 34 3HG LYS 34 3.189 -4.471 5.846 241 HD2 LYS 34 2HD LYS 34 0.923 -5.558 6.021 242 HD3 LYS 34 3HD LYS 34 1.168 -6.086 4.336 243 HE2 LYS 34 2HE LYS 34 2.843 -6.709 6.806 244 HE3 LYS 34 3HE LYS 34 1.694 -7.784 6.010 245 HZ1 LYS 34 3HZ LYS 34 3.142 -7.685 4.032 246 HZ2 LYS 34 1HZ LYS 34 3.878 -8.367 5.304 247 HZ3 LYS 34 2HZ LYS 34 4.265 -6.819 4.905 248 H LYS 35 H LYS 35 -0.565 -3.839 5.852 249 HA LYS 35 HA LYS 35 -1.403 -6.293 4.796 250 HB2 LYS 35 2HB LYS 35 -1.327 -5.397 7.137 251 HB3 LYS 35 3HB LYS 35 -2.728 -4.466 6.864 252 HG2 LYS 35 2HG LYS 35 -3.795 -6.137 7.842 253 HG3 LYS 35 3HG LYS 35 -3.702 -6.867 6.260 254 HD2 LYS 35 2HD LYS 35 -1.707 -7.418 8.490 255 HD3 LYS 35 3HD LYS 35 -3.192 -8.334 8.234 256 HE2 LYS 35 2HE LYS 35 -2.291 -8.747 5.818 257 HE3 LYS 35 3HE LYS 35 -0.713 -8.288 6.484 258 HZ1 LYS 35 3HZ LYS 35 -1.050 -10.082 8.173 259 HZ2 LYS 35 1HZ LYS 35 -1.048 -10.672 6.668 260 HZ3 LYS 35 2HZ LYS 35 -2.472 -10.494 7.471 261 H ALA 36 H ALA 36 -3.340 -3.359 4.977 262 HA ALA 36 HA ALA 36 -5.527 -4.365 3.387 263 HB1 ALA 36 1HB ALA 36 -6.410 -2.105 3.416 264 HB2 ALA 36 2HB ALA 36 -5.813 -2.549 5.022 265 HB3 ALA 36 3HB ALA 36 -4.853 -1.466 3.979 266 H ARG 37 H ARG 37 -2.675 -2.445 2.372 267 HA ARG 37 HA ARG 37 -3.220 -1.971 -0.437 268 HB2 ARG 37 2HB ARG 37 -0.891 -1.634 1.028 269 HB3 ARG 37 3HB ARG 37 -0.528 -3.206 0.528 270 HG2 ARG 37 2HG ARG 37 -1.576 -1.722 -1.663 271 HG3 ARG 37 3HG ARG 37 -0.370 -0.765 -0.895 272 HD2 ARG 37 2HD ARG 37 0.233 -2.209 -2.974 273 HD3 ARG 37 3HD ARG 37 1.171 -2.011 -1.570 274 HE ARG 37 HE ARG 37 0.128 -4.350 -0.967 275 HH11 ARG 37 1HH1 ARG 37 2.185 -3.151 -3.549 276 HH12 ARG 37 2HH1 ARG 37 3.538 -4.141 -3.097 277 HH21 ARG 37 1HH2 ARG 37 1.962 -5.947 -0.757 278 HH22 ARG 37 2HH2 ARG 37 3.334 -5.724 -1.762 279 H ASP 38 H ASP 38 -1.745 -4.708 1.153 280 HA ASP 38 HA ASP 38 -1.238 -6.021 -1.204 281 HB2 ASP 38 2HB ASP 38 -1.043 -6.487 1.710 282 HB3 ASP 38 3HB ASP 38 -1.291 -8.014 0.847 283 H ALA 39 H ALA 39 -3.947 -6.380 1.129 284 HA ALA 39 HA ALA 39 -5.416 -8.518 0.108 285 HB1 ALA 39 1HB ALA 39 -5.883 -7.177 2.197 286 HB2 ALA 39 2HB ALA 39 -6.460 -5.854 1.145 287 HB3 ALA 39 3HB ALA 39 -7.324 -7.399 1.174 288 H CYS 40 H CYS 40 -5.436 -5.127 -1.191 289 HA CYS 40 HA CYS 40 -7.399 -5.781 -3.266 290 HB2 CYS 40 2HB CYS 40 -6.740 -3.533 -2.227 291 HB3 CYS 40 3HB CYS 40 -5.237 -3.632 -3.044 292 H ILE 41 H ILE 41 -3.843 -5.565 -3.148 293 HA ILE 41 HA ILE 41 -3.295 -6.220 -5.880 294 HB ILE 41 HB ILE 41 -1.629 -6.427 -3.373 295 HG12 ILE 41 2HG1 ILE 41 -0.355 -4.645 -4.855 296 HG13 ILE 41 3HG1 ILE 41 -1.768 -4.515 -5.736 297 HG21 ILE 41 1HG2 ILE 41 0.337 -6.813 -4.834 298 HG22 ILE 41 2HG2 ILE 41 -0.758 -8.181 -4.802 299 HG23 ILE 41 3HG2 ILE 41 -0.762 -7.093 -6.211 300 HD11 ILE 41 3HD1 ILE 41 -1.631 -2.754 -4.132 301 HD12 ILE 41 1HD1 ILE 41 -3.050 -3.755 -3.837 302 HD13 ILE 41 2HD1 ILE 41 -1.611 -3.974 -2.834 303 H ILE 42 H ILE 42 -3.958 -8.318 -3.153 304 HA ILE 42 HA ILE 42 -3.386 -10.885 -4.266 305 HB ILE 42 HB ILE 42 -5.145 -9.733 -2.090 306 HG12 ILE 42 2HG1 ILE 42 -2.783 -11.654 -2.089 307 HG13 ILE 42 3HG1 ILE 42 -2.655 -9.921 -1.813 308 HG21 ILE 42 1HG2 ILE 42 -6.568 -11.479 -2.842 309 HG22 ILE 42 2HG2 ILE 42 -5.218 -12.656 -2.864 310 HG23 ILE 42 3HG2 ILE 42 -5.824 -11.980 -1.329 311 HD11 ILE 42 3HD1 ILE 42 -2.523 -11.048 0.296 312 HD12 ILE 42 1HD1 ILE 42 -4.074 -10.206 0.252 313 HD13 ILE 42 2HD1 ILE 42 -3.998 -11.964 0.002 314 H GLU 43 H GLU 43 -6.303 -8.882 -4.443 315 HA GLU 43 HA GLU 43 -7.917 -11.009 -5.619 316 HB2 GLU 43 2HB GLU 43 -8.075 -8.930 -3.741 317 HB3 GLU 43 3HB GLU 43 -8.997 -8.289 -5.000 318 HG2 GLU 43 2HG GLU 43 -9.443 -11.042 -3.751 319 HG3 GLU 43 3HG GLU 43 -9.956 -9.502 -3.084 320 H LYS 44 H LYS 44 -7.086 -7.651 -6.299 321 HA LYS 44 HA LYS 44 -8.010 -7.834 -9.141 322 HB2 LYS 44 2HB LYS 44 -6.975 -5.365 -7.841 323 HB3 LYS 44 3HB LYS 44 -8.042 -5.590 -9.231 324 HG2 LYS 44 2HG LYS 44 -9.798 -6.454 -7.545 325 HG3 LYS 44 3HG LYS 44 -8.724 -5.834 -6.269 326 HD2 LYS 44 2HD LYS 44 -8.666 -3.621 -7.364 327 HD3 LYS 44 3HD LYS 44 -9.721 -4.231 -8.652 328 HE2 LYS 44 2HE LYS 44 -11.559 -4.530 -7.077 329 HE3 LYS 44 3HE LYS 44 -10.543 -4.002 -5.722 330 HZ1 LYS 44 3HZ LYS 44 -10.873 -2.255 -8.084 331 HZ2 LYS 44 1HZ LYS 44 -10.527 -1.822 -6.547 332 HZ3 LYS 44 2HZ LYS 44 -12.055 -2.249 -6.968 333 H GLY 45 H GLY 45 -5.061 -6.879 -7.327 334 HA2 GLY 45 1HA GLY 45 -2.829 -7.554 -8.266 335 HA3 GLY 45 2HA GLY 45 -3.434 -7.134 -9.860 336 H GLU 46 H GLU 46 -1.074 -5.927 -8.957 337 HA GLU 46 HA GLU 46 -1.411 -3.489 -7.438 338 HB2 GLU 46 2HB GLU 46 0.783 -4.003 -9.476 339 HB3 GLU 46 3HB GLU 46 0.834 -2.973 -8.075 340 HG2 GLU 46 2HG GLU 46 0.595 -5.142 -6.702 341 HG3 GLU 46 3HG GLU 46 0.927 -6.005 -8.193 342 H GLU 47 H GLU 47 -1.611 -4.263 -10.870 343 HA GLU 47 HA GLU 47 -1.695 -1.692 -11.893 344 HB2 GLU 47 2HB GLU 47 -2.915 -2.756 -13.808 345 HB3 GLU 47 3HB GLU 47 -1.389 -3.512 -13.343 346 HG2 GLU 47 2HG GLU 47 -2.503 -5.346 -12.248 347 HG3 GLU 47 3HG GLU 47 -4.060 -4.547 -12.386 348 H HIS 48 H HIS 48 -4.184 -3.262 -9.984 349 HA HIS 48 HA HIS 48 -6.306 -1.345 -10.869 350 HB2 HIS 48 2HB HIS 48 -6.283 -4.128 -9.669 351 HB3 HIS 48 3HB HIS 48 -7.733 -3.154 -9.676 352 HD2 HIS 48 2HD HIS 48 -5.883 -5.556 -11.677 353 HE1 HIS 48 1HE HIS 48 -7.922 -3.327 -14.665 354 HE2 HIS 48 2HE HIS 48 -6.330 -5.271 -14.226 355 H CYS 49 H CYS 49 -3.990 -1.814 -8.597 356 HA CYS 49 HA CYS 49 -5.479 -0.725 -6.287 357 HB2 CYS 49 2HB CYS 49 -3.538 -3.032 -6.495 358 HB3 CYS 49 3HB CYS 49 -4.086 -2.418 -5.088 359 H GLY 50 H GLY 50 -3.286 0.422 -8.330 360 HA2 GLY 50 1HA GLY 50 -1.378 1.126 -6.226 361 HA3 GLY 50 2HA GLY 50 -1.084 1.541 -7.816 362 H HIS 51 H HIS 51 -4.370 2.370 -7.096 363 HA HIS 51 HA HIS 51 -3.861 4.887 -5.661 364 HB2 HIS 51 2HB HIS 51 -6.221 4.935 -5.231 365 HB3 HIS 51 3HB HIS 51 -5.950 4.368 -7.000 366 HD2 HIS 51 2HD HIS 51 -7.956 3.482 -3.965 367 HE1 HIS 51 1HE HIS 51 -7.605 -0.213 -6.051 368 HE2 HIS 51 2HE HIS 51 -8.822 1.013 -4.166 369 H LEU 52 H LEU 52 -4.629 1.493 -4.800 370 HA LEU 52 HA LEU 52 -4.204 1.901 -1.965 371 HB2 LEU 52 2HB LEU 52 -4.741 -0.438 -3.774 372 HB3 LEU 52 3HB LEU 52 -3.820 -0.901 -2.531 373 HG LEU 52 HG LEU 52 -6.622 -0.583 -2.744 374 HD11 LEU 52 1HD1 LEU 52 -5.375 -2.127 -1.200 375 HD12 LEU 52 2HD1 LEU 52 -6.763 -1.340 -0.441 376 HD13 LEU 52 3HD1 LEU 52 -5.121 -0.766 -0.111 377 HD21 LEU 52 3HD2 LEU 52 -6.425 1.860 -2.274 378 HD22 LEU 52 1HD2 LEU 52 -5.775 1.458 -0.679 379 HD23 LEU 52 2HD2 LEU 52 -7.428 0.947 -1.101 380 H ILE 53 H ILE 53 -1.920 1.387 -4.537 381 HA ILE 53 HA ILE 53 0.237 1.077 -2.618 382 HB ILE 53 HB ILE 53 0.359 2.006 -5.486 383 HG12 ILE 53 2HG1 ILE 53 1.430 -0.573 -4.420 384 HG13 ILE 53 3HG1 ILE 53 -0.283 -0.509 -4.499 385 HG21 ILE 53 1HG2 ILE 53 2.537 1.179 -3.514 386 HG22 ILE 53 2HG2 ILE 53 2.795 1.494 -5.246 387 HG23 ILE 53 3HG2 ILE 53 2.311 2.821 -4.188 388 HD11 ILE 53 3HD1 ILE 53 -0.075 -0.447 -6.984 389 HD12 ILE 53 1HD1 ILE 53 1.641 0.010 -6.868 390 HD13 ILE 53 2HD1 ILE 53 1.098 -1.610 -6.395 391 H GLU 54 H GLU 54 -0.925 4.010 -4.420 392 HA GLU 54 HA GLU 54 0.978 5.797 -3.390 393 HB2 GLU 54 2HB GLU 54 -1.827 6.344 -4.396 394 HB3 GLU 54 3HB GLU 54 -0.580 7.555 -4.189 395 HG2 GLU 54 2HG GLU 54 0.300 5.269 -5.900 396 HG3 GLU 54 3HG GLU 54 -1.127 6.100 -6.516 397 H ALA 55 H ALA 55 -2.404 5.184 -2.364 398 HA ALA 55 HA ALA 55 -2.497 7.110 -0.330 399 HB1 ALA 55 1HB ALA 55 -4.476 5.960 -1.250 400 HB2 ALA 55 2HB ALA 55 -3.913 4.406 -0.593 401 HB3 ALA 55 3HB ALA 55 -4.415 5.702 0.513 402 H HIS 56 H HIS 56 -1.298 3.777 -0.293 403 HA HIS 56 HA HIS 56 -0.608 3.807 2.553 404 HB2 HIS 56 2HB HIS 56 -0.319 1.676 0.384 405 HB3 HIS 56 3HB HIS 56 0.116 1.488 2.060 406 HD2 HIS 56 2HD HIS 56 -2.405 -0.123 0.596 407 HE1 HIS 56 1HE HIS 56 -4.930 2.186 3.108 408 HE2 HIS 56 2HE HIS 56 -4.793 0.094 1.651 409 H LYS 57 H LYS 57 1.020 4.259 -0.534 410 HA LYS 57 HA LYS 57 3.625 3.973 0.037 411 HB2 LYS 57 2HB LYS 57 2.134 4.577 -2.055 412 HB3 LYS 57 3HB LYS 57 2.500 6.158 -1.811 413 HG2 LYS 57 2HG LYS 57 5.001 4.962 -1.723 414 HG3 LYS 57 3HG LYS 57 4.019 3.734 -2.546 415 HD2 LYS 57 2HD LYS 57 3.463 5.526 -4.297 416 HD3 LYS 57 3HD LYS 57 4.540 6.630 -3.426 417 HE2 LYS 57 2HE LYS 57 6.293 4.592 -3.791 418 HE3 LYS 57 3HE LYS 57 5.193 4.224 -5.122 419 HZ1 LYS 57 3HZ LYS 57 6.628 5.650 -6.150 420 HZ2 LYS 57 1HZ LYS 57 6.997 6.509 -4.801 421 HZ3 LYS 57 2HZ LYS 57 5.564 6.740 -5.666 422 H GLU 58 H GLU 58 1.726 6.904 0.341 423 HA GLU 58 HA GLU 58 3.705 8.497 1.643 424 HB2 GLU 58 2HB GLU 58 1.957 9.967 2.439 425 HB3 GLU 58 3HB GLU 58 1.876 9.587 0.717 426 HG2 GLU 58 2HG GLU 58 0.155 7.885 1.210 427 HG3 GLU 58 3HG GLU 58 0.122 8.396 2.906 428 H CYS 59 H CYS 59 1.487 6.210 3.093 429 HA CYS 59 HA CYS 59 2.135 6.747 5.839 430 HB2 CYS 59 2HB CYS 59 0.196 5.412 4.979 431 HB3 CYS 59 3HB CYS 59 1.223 4.026 4.716 432 H MET 60 H MET 60 3.587 4.433 3.508 433 HA MET 60 HA MET 60 5.715 3.576 5.269 434 HB2 MET 60 2HB MET 60 5.291 3.583 2.256 435 HB3 MET 60 3HB MET 60 6.838 3.123 2.954 436 HG2 MET 60 2HG MET 60 5.548 1.157 2.526 437 HG3 MET 60 3HG MET 60 5.777 1.347 4.263 438 HE1 MET 60 3HE MET 60 2.335 -0.532 3.641 439 HE2 MET 60 1HE MET 60 3.785 -0.587 2.612 440 HE3 MET 60 2HE MET 60 3.949 -0.664 4.385 441 H ARG 61 H ARG 61 5.598 6.186 2.795 442 HA ARG 61 HA ARG 61 8.348 6.833 2.997 443 HB2 ARG 61 2HB ARG 61 7.562 7.733 1.113 444 HB3 ARG 61 3HB ARG 61 5.923 7.928 1.715 445 HG2 ARG 61 2HG ARG 61 6.534 10.085 2.733 446 HG3 ARG 61 3HG ARG 61 8.202 9.889 2.121 447 HD2 ARG 61 2HD ARG 61 7.258 9.659 -0.197 448 HD3 ARG 61 3HD ARG 61 5.639 9.973 0.463 449 HE ARG 61 HE ARG 61 7.363 12.098 1.261 450 HH11 ARG 61 1HH1 ARG 61 5.669 11.018 -1.625 451 HH12 ARG 61 2HH1 ARG 61 5.888 12.530 -2.429 452 HH21 ARG 61 1HH2 ARG 61 7.458 13.999 0.284 453 HH22 ARG 61 2HH2 ARG 61 6.726 14.257 -1.279 454 H ALA 62 H ALA 62 5.694 8.084 4.997 455 HA ALA 62 HA ALA 62 6.945 10.229 6.270 456 HB1 ALA 62 1HB ALA 62 5.149 8.074 7.467 457 HB2 ALA 62 2HB ALA 62 5.439 9.686 8.155 458 HB3 ALA 62 3HB ALA 62 4.608 9.529 6.596 459 H LEU 63 H LEU 63 7.659 6.783 6.767 460 HA LEU 63 HA LEU 63 9.172 6.983 9.203 461 HB2 LEU 63 2HB LEU 63 9.134 5.051 6.856 462 HB3 LEU 63 3HB LEU 63 10.175 4.802 8.204 463 HG LEU 63 HG LEU 63 7.913 3.524 8.003 464 HD11 LEU 63 1HD1 LEU 63 9.543 3.307 9.794 465 HD12 LEU 63 2HD1 LEU 63 7.895 3.276 10.457 466 HD13 LEU 63 3HD1 LEU 63 8.896 4.748 10.606 467 HD21 LEU 63 3HD2 LEU 63 6.922 5.970 9.516 468 HD22 LEU 63 1HD2 LEU 63 6.072 4.431 9.325 469 HD23 LEU 63 2HD2 LEU 63 6.366 5.439 7.910 470 H GLY 64 H GLY 64 10.011 7.897 5.925 471 HA2 GLY 64 1HA GLY 64 12.106 8.289 4.940 472 HA3 GLY 64 2HA GLY 64 12.950 7.788 6.419 473 H PHE 65 H PHE 65 10.438 6.119 4.527 474 HA PHE 65 HA PHE 65 12.282 3.887 3.776 475 HB2 PHE 65 2HB PHE 65 9.273 4.276 3.441 476 HB3 PHE 65 3HB PHE 65 10.147 2.970 2.749 477 HD1 PHE 65 2HD PHE 65 11.427 3.588 6.115 478 HD2 PHE 65 1HD PHE 65 8.339 1.636 3.813 479 HE1 PHE 65 2HE PHE 65 10.882 2.158 8.041 480 HE2 PHE 65 1HE PHE 65 7.780 0.226 5.775 481 HZ PHE 65 HZ PHE 65 9.058 0.486 7.894 482 H LYS 66 H LYS 66 11.873 3.178 1.442 483 HA LYS 66 HA LYS 66 13.055 5.437 0.039 484 HB2 LYS 66 2HB LYS 66 13.330 2.470 -0.472 485 HB3 LYS 66 3HB LYS 66 14.373 3.790 -1.034 486 HG2 LYS 66 2HG LYS 66 14.311 4.260 1.744 487 HG3 LYS 66 3HG LYS 66 14.179 2.495 1.664 488 HD2 LYS 66 2HD LYS 66 16.146 2.681 0.021 489 HD3 LYS 66 3HD LYS 66 16.144 4.414 0.485 490 HE2 LYS 66 2HE LYS 66 16.660 3.821 2.817 491 HE3 LYS 66 3HE LYS 66 16.449 2.099 2.468 492 HZ1 LYS 66 3HZ LYS 66 18.746 2.570 2.579 493 HZ2 LYS 66 1HZ LYS 66 18.680 3.812 1.500 494 HZ3 LYS 66 2HZ LYS 66 18.424 2.257 1.007 495 H ILE 67 H ILE 67 10.648 5.610 -0.113 496 HA ILE 67 HA ILE 67 9.087 4.503 -2.381 497 HB ILE 67 HB ILE 67 8.644 6.202 0.048 498 HG12 ILE 67 2HG1 ILE 67 6.710 4.707 0.376 499 HG13 ILE 67 3HG1 ILE 67 7.045 3.921 -1.162 500 HG21 ILE 67 1HG2 ILE 67 6.730 6.345 -2.295 501 HG22 ILE 67 2HG2 ILE 67 6.310 6.801 -0.634 502 HG23 ILE 67 3HG2 ILE 67 7.576 7.677 -1.507 503 HD11 ILE 67 3HD1 ILE 67 7.834 2.638 0.819 504 HD12 ILE 67 1HD1 ILE 67 9.129 3.012 -0.328 505 HD13 ILE 67 2HD1 ILE 67 8.964 3.975 1.157 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 21.324 -7.483 -5.094 2 H2 GLY 1 H2 GLY 1 21.388 -5.928 -5.637 3 H3 GLY 1 H3 GLY 1 21.502 -6.260 -4.026 4 HA2 GLY 1 2HA GLY 1 23.493 -7.027 -6.061 5 HA3 GLY 1 1HA GLY 1 23.687 -5.734 -4.852 6 H SER 2 H SER 2 25.696 -7.367 -4.481 7 HA SER 2 HA SER 2 25.138 -9.899 -3.238 8 HB2 SER 2 2HB SER 2 27.616 -9.954 -2.994 9 HB3 SER 2 3HB SER 2 27.082 -9.530 -4.646 10 HG SER 2 HG SER 2 28.367 -8.012 -2.732 11 H PHE 3 H PHE 3 23.677 -8.288 -1.660 12 HA PHE 3 HA PHE 3 25.221 -7.923 0.867 13 HB2 PHE 3 2HB PHE 3 23.309 -6.414 1.511 14 HB3 PHE 3 3HB PHE 3 24.524 -5.832 0.409 15 HD1 PHE 3 1HD PHE 3 20.999 -7.119 0.533 16 HD2 PHE 3 2HD PHE 3 23.940 -4.853 -1.655 17 HE1 PHE 3 1HE PHE 3 19.218 -6.238 -0.939 18 HE2 PHE 3 2HE PHE 3 22.151 -3.937 -3.108 19 HZ PHE 3 HZ PHE 3 19.779 -4.642 -2.766 20 H THR 4 H THR 4 24.981 -9.365 2.237 21 HA THR 4 HA THR 4 24.386 -11.075 3.502 22 HB THR 4 HB THR 4 22.410 -11.091 4.715 23 HG1 THR 4 1HG THR 4 20.736 -9.467 3.922 24 HG21 THR 4 1HG2 THR 4 23.866 -9.108 5.084 25 HG22 THR 4 2HG2 THR 4 22.162 -8.834 5.502 26 HG23 THR 4 3HG2 THR 4 22.828 -8.167 3.991 27 H MET 5 H MET 5 22.732 -12.982 3.925 28 HA MET 5 HA MET 5 21.856 -14.248 1.423 29 HB2 MET 5 2HB MET 5 24.331 -14.607 1.595 30 HB3 MET 5 3HB MET 5 24.063 -15.552 3.061 31 HG2 MET 5 2HG MET 5 22.698 -17.161 1.790 32 HG3 MET 5 3HG MET 5 22.802 -16.159 0.348 33 HE1 MET 5 3HE MET 5 25.754 -15.296 -0.043 34 HE2 MET 5 1HE MET 5 26.393 -16.676 -0.957 35 HE3 MET 5 2HE MET 5 24.757 -16.072 -1.295 36 HA PRO 6 HA PRO 6 19.301 -15.637 5.139 37 HB2 PRO 6 2HB PRO 6 16.917 -14.584 4.454 38 HB3 PRO 6 3HB PRO 6 18.184 -13.597 5.253 39 HG2 PRO 6 2HG PRO 6 17.549 -13.757 2.284 40 HG3 PRO 6 3HG PRO 6 17.756 -12.289 3.289 41 HD2 PRO 6 2HD PRO 6 19.783 -13.335 1.779 42 HD3 PRO 6 3HD PRO 6 20.085 -12.547 3.351 43 H GLY 7 H GLY 7 20.095 -17.546 3.654 44 HA2 GLY 7 1HA GLY 7 18.118 -18.483 1.704 45 HA3 GLY 7 2HA GLY 7 19.619 -19.299 2.162 46 H LEU 8 H LEU 8 18.320 -18.814 5.069 47 HA LEU 8 HA LEU 8 16.025 -20.550 5.098 48 HB2 LEU 8 2HB LEU 8 16.819 -22.117 6.740 49 HB3 LEU 8 3HB LEU 8 17.719 -22.315 5.263 50 HG LEU 8 HG LEU 8 18.936 -20.548 7.397 51 HD11 LEU 8 1HD1 LEU 8 18.934 -23.581 7.568 52 HD12 LEU 8 2HD1 LEU 8 18.127 -22.468 8.691 53 HD13 LEU 8 3HD1 LEU 8 19.888 -22.471 8.572 54 HD21 LEU 8 3HD2 LEU 8 20.126 -20.915 5.239 55 HD22 LEU 8 1HD2 LEU 8 20.101 -22.663 5.530 56 HD23 LEU 8 2HD2 LEU 8 21.023 -21.596 6.601 57 H VAL 9 H VAL 9 15.246 -20.761 7.474 58 HA VAL 9 HA VAL 9 15.568 -18.125 8.813 59 HB VAL 9 HB VAL 9 13.152 -18.287 9.156 60 HG11 VAL 9 1HG1 VAL 9 14.050 -17.115 7.168 61 HG12 VAL 9 2HG1 VAL 9 13.904 -18.611 6.221 62 HG13 VAL 9 3HG1 VAL 9 12.453 -17.816 6.860 63 HG21 VAL 9 3HG2 VAL 9 11.765 -19.918 8.017 64 HG22 VAL 9 1HG2 VAL 9 13.186 -20.745 7.359 65 HG23 VAL 9 2HG2 VAL 9 12.874 -20.754 9.111 66 H ASP 10 H ASP 10 16.243 -21.297 9.429 67 HA ASP 10 HA ASP 10 15.005 -21.839 11.945 68 HB2 ASP 10 2HB ASP 10 16.493 -23.269 10.147 69 HB3 ASP 10 3HB ASP 10 17.706 -23.006 11.398 70 H SER 11 H SER 11 17.305 -19.540 11.256 71 HA SER 11 HA SER 11 18.445 -19.405 14.012 72 HB2 SER 11 2HB SER 11 19.926 -20.365 12.165 73 HB3 SER 11 3HB SER 11 19.946 -18.737 11.458 74 HG SER 11 HG SER 11 20.706 -18.020 13.534 75 H ASN 12 H ASN 12 16.162 -17.937 12.678 76 HA ASN 12 HA ASN 12 16.896 -15.104 12.852 77 HB2 ASN 12 2HB ASN 12 14.342 -16.702 12.607 78 HB3 ASN 12 3HB ASN 12 14.225 -15.075 13.175 79 HD21 ASN 12 1HD2 ASN 12 16.190 -13.727 11.711 80 HD22 ASN 12 2HD2 ASN 12 15.798 -13.818 10.050 81 HA PRO 13 HA PRO 13 17.184 -14.641 17.090 82 HB2 PRO 13 2HB PRO 13 15.821 -12.260 17.692 83 HB3 PRO 13 3HB PRO 13 17.433 -12.401 16.944 84 HG2 PRO 13 2HG PRO 13 14.951 -11.511 15.687 85 HG3 PRO 13 3HG PRO 13 16.613 -11.512 15.029 86 HD2 PRO 13 2HD PRO 13 14.419 -13.423 14.619 87 HD3 PRO 13 3HD PRO 13 15.907 -13.261 13.661 88 H ALA 14 H ALA 14 16.456 -15.694 18.799 89 HA ALA 14 HA ALA 14 13.656 -15.716 19.662 90 HB1 ALA 14 1HB ALA 14 13.749 -17.255 17.706 91 HB2 ALA 14 2HB ALA 14 15.109 -18.120 18.439 92 HB3 ALA 14 3HB ALA 14 13.508 -18.186 19.198 93 HA PRO 15 HA PRO 15 15.838 -16.958 23.452 94 HB2 PRO 15 2HB PRO 15 13.867 -18.088 24.954 95 HB3 PRO 15 3HB PRO 15 13.802 -16.363 24.480 96 HG2 PRO 15 2HG PRO 15 12.477 -18.729 23.115 97 HG3 PRO 15 3HG PRO 15 11.703 -17.200 23.654 98 HD2 PRO 15 2HD PRO 15 12.552 -17.595 21.090 99 HD3 PRO 15 3HD PRO 15 12.651 -15.990 21.876 100 HA PRO 16 HA PRO 16 16.866 -21.371 23.271 101 HB2 PRO 16 2HB PRO 16 17.475 -22.049 25.852 102 HB3 PRO 16 3HB PRO 16 18.486 -20.976 24.841 103 HG2 PRO 16 2HG PRO 16 16.397 -20.158 26.884 104 HG3 PRO 16 3HG PRO 16 18.084 -19.569 26.730 105 HD2 PRO 16 2HD PRO 16 16.003 -18.187 25.681 106 HD3 PRO 16 3HD PRO 16 17.562 -18.288 24.817 107 H GLU 17 H GLU 17 14.772 -21.784 22.544 108 HA GLU 17 HA GLU 17 12.876 -22.846 22.298 109 HB2 GLU 17 2HB GLU 17 14.175 -24.752 22.910 110 HB3 GLU 17 3HB GLU 17 13.458 -24.586 24.521 111 HG2 GLU 17 2HG GLU 17 11.234 -24.944 23.692 112 HG3 GLU 17 3HG GLU 17 11.751 -24.766 22.019 113 H SER 18 H SER 18 10.901 -22.133 22.413 114 HA SER 18 HA SER 18 9.579 -21.794 25.012 115 HB2 SER 18 2HB SER 18 8.808 -19.501 24.468 116 HB3 SER 18 3HB SER 18 10.528 -19.606 24.658 117 HG SER 18 HG SER 18 9.058 -19.493 22.213 118 H GLN 19 H GLN 19 7.442 -21.435 24.972 119 HA GLN 19 HA GLN 19 5.303 -21.585 23.583 120 HB2 GLN 19 2HB GLN 19 6.633 -19.455 25.036 121 HB3 GLN 19 3HB GLN 19 5.415 -18.850 23.954 122 HG2 GLN 19 2HG GLN 19 4.353 -19.173 26.042 123 HG3 GLN 19 3HG GLN 19 3.772 -20.475 25.017 124 HE21 GLN 19 1HE2 GLN 19 3.197 -21.215 27.379 125 HE22 GLN 19 2HE2 GLN 19 4.431 -22.184 28.154 126 H GLU 20 H GLU 20 4.665 -21.598 21.617 127 HA GLU 20 HA GLU 20 4.549 -21.408 19.383 128 HB2 GLU 20 2HB GLU 20 3.330 -19.461 18.765 129 HB3 GLU 20 3HB GLU 20 2.824 -20.086 20.325 130 HG2 GLU 20 2HG GLU 20 3.996 -18.291 21.509 131 HG3 GLU 20 3HG GLU 20 4.632 -17.649 19.991 132 H LYS 21 H LYS 21 5.020 -18.449 18.211 133 HA LYS 21 HA LYS 21 7.812 -18.696 17.545 134 HB2 LYS 21 2HB LYS 21 7.518 -19.139 15.129 135 HB3 LYS 21 3HB LYS 21 6.886 -20.463 16.100 136 HG2 LYS 21 2HG LYS 21 4.557 -19.557 15.774 137 HG3 LYS 21 3HG LYS 21 5.228 -18.276 14.767 138 HD2 LYS 21 2HD LYS 21 4.375 -19.912 13.287 139 HD3 LYS 21 3HD LYS 21 6.133 -20.067 13.211 140 HE2 LYS 21 2HE LYS 21 6.080 -22.047 14.634 141 HE3 LYS 21 3HE LYS 21 4.349 -21.818 14.961 142 HZ1 LYS 21 3HZ LYS 21 3.869 -22.272 12.679 143 HZ2 LYS 21 1HZ LYS 21 4.778 -23.521 13.245 144 HZ3 LYS 21 2HZ LYS 21 5.454 -22.395 12.255 145 H LYS 22 H LYS 22 8.565 -17.086 15.992 146 HA LYS 22 HA LYS 22 8.836 -14.857 15.414 147 HB2 LYS 22 2HB LYS 22 5.873 -14.956 14.773 148 HB3 LYS 22 3HB LYS 22 7.077 -13.878 14.070 149 HG2 LYS 22 2HG LYS 22 8.143 -15.791 12.908 150 HG3 LYS 22 3HG LYS 22 7.019 -16.911 13.689 151 HD2 LYS 22 2HD LYS 22 6.091 -16.589 11.543 152 HD3 LYS 22 3HD LYS 22 5.105 -15.628 12.636 153 HE2 LYS 22 2HE LYS 22 5.411 -14.079 10.957 154 HE3 LYS 22 3HE LYS 22 6.782 -13.676 11.994 155 HZ1 LYS 22 3HZ LYS 22 8.036 -15.328 10.456 156 HZ2 LYS 22 1HZ LYS 22 7.705 -13.836 9.917 157 HZ3 LYS 22 2HZ LYS 22 6.764 -15.115 9.425 158 HA PRO 23 HA PRO 23 6.433 -13.507 19.285 159 HB2 PRO 23 2HB PRO 23 8.156 -13.740 21.364 160 HB3 PRO 23 3HB PRO 23 7.465 -15.175 20.562 161 HG2 PRO 23 2HG PRO 23 10.148 -13.861 19.949 162 HG3 PRO 23 3HG PRO 23 9.847 -15.569 20.420 163 HD2 PRO 23 2HD PRO 23 10.001 -14.845 17.802 164 HD3 PRO 23 3HD PRO 23 8.828 -16.066 18.381 165 H LEU 24 H LEU 24 7.430 -11.602 17.431 166 HA LEU 24 HA LEU 24 8.206 -9.386 19.261 167 HB2 LEU 24 2HB LEU 24 10.139 -10.593 17.792 168 HB3 LEU 24 3HB LEU 24 9.579 -9.450 16.595 169 HG LEU 24 HG LEU 24 11.460 -8.539 17.732 170 HD11 LEU 24 1HD1 LEU 24 9.039 -7.133 18.919 171 HD12 LEU 24 2HD1 LEU 24 9.652 -6.922 17.253 172 HD13 LEU 24 3HD1 LEU 24 10.650 -6.450 18.636 173 HD21 LEU 24 3HD2 LEU 24 11.389 -9.903 19.791 174 HD22 LEU 24 1HD2 LEU 24 10.041 -8.935 20.399 175 HD23 LEU 24 2HD2 LEU 24 11.623 -8.185 20.143 176 H LYS 25 H LYS 25 6.258 -8.476 19.242 177 HA LYS 25 HA LYS 25 4.987 -7.729 16.635 178 HB2 LYS 25 2HB LYS 25 4.161 -9.787 17.728 179 HB3 LYS 25 3HB LYS 25 3.641 -8.846 19.120 180 HG2 LYS 25 2HG LYS 25 1.857 -7.862 17.941 181 HG3 LYS 25 3HG LYS 25 2.610 -8.128 16.357 182 HD2 LYS 25 2HD LYS 25 2.181 -10.485 16.418 183 HD3 LYS 25 3HD LYS 25 1.696 -10.439 18.121 184 HE2 LYS 25 2HE LYS 25 -0.346 -9.337 17.649 185 HE3 LYS 25 3HE LYS 25 0.137 -8.911 16.002 186 HZ1 LYS 25 3HZ LYS 25 -0.179 -11.762 16.808 187 HZ2 LYS 25 1HZ LYS 25 -0.178 -11.132 15.289 188 HZ3 LYS 25 2HZ LYS 25 -1.442 -10.904 16.256 189 HA PRO 26 HA PRO 26 5.104 -3.842 19.164 190 HB2 PRO 26 2HB PRO 26 6.819 -2.305 17.758 191 HB3 PRO 26 3HB PRO 26 7.419 -3.639 18.791 192 HG2 PRO 26 2HG PRO 26 6.889 -3.711 15.791 193 HG3 PRO 26 3HG PRO 26 8.388 -4.190 16.656 194 HD2 PRO 26 2HD PRO 26 6.451 -6.007 15.965 195 HD3 PRO 26 3HD PRO 26 7.417 -6.152 17.462 196 H CYS 27 H CYS 27 3.999 -4.677 16.049 197 HA CYS 27 HA CYS 27 2.582 -3.808 14.539 198 HB2 CYS 27 2HB CYS 27 1.589 -2.495 17.078 199 HB3 CYS 27 3HB CYS 27 0.685 -2.494 15.558 200 HG CYS 27 HG CYS 27 -0.186 -4.361 17.254 201 H CYS 28 H CYS 28 5.061 -2.273 14.504 202 HA CYS 28 HA CYS 28 4.082 0.366 13.517 203 HB2 CYS 28 2HB CYS 28 6.895 -0.646 14.158 204 HB3 CYS 28 3HB CYS 28 6.504 0.988 13.589 205 HG CYS 28 HG CYS 28 6.987 1.135 16.139 206 H ALA 29 H ALA 29 5.489 1.260 11.654 207 HA ALA 29 HA ALA 29 5.552 1.452 9.463 208 HB1 ALA 29 1HB ALA 29 7.539 0.059 9.531 209 HB2 ALA 29 2HB ALA 29 6.514 -1.396 9.286 210 HB3 ALA 29 3HB ALA 29 6.573 -0.134 8.036 211 H CYS 30 H CYS 30 3.231 1.433 10.234 212 HA CYS 30 HA CYS 30 1.028 1.204 9.666 213 HB2 CYS 30 2HB CYS 30 2.356 1.081 7.010 214 HB3 CYS 30 3HB CYS 30 0.777 1.692 7.397 215 HA PRO 31 HA PRO 31 0.553 -3.561 8.675 216 HB2 PRO 31 2HB PRO 31 -0.997 -3.788 10.938 217 HB3 PRO 31 3HB PRO 31 0.749 -4.226 10.885 218 HG2 PRO 31 2HG PRO 31 -0.555 -1.703 11.939 219 HG3 PRO 31 3HG PRO 31 0.799 -2.638 12.650 220 HD2 PRO 31 2HD PRO 31 1.229 -0.353 11.172 221 HD3 PRO 31 3HD PRO 31 2.344 -1.742 11.087 222 H GLU 32 H GLU 32 -1.779 -1.033 10.009 223 HA GLU 32 HA GLU 32 -3.882 -2.251 8.506 224 HB2 GLU 32 2HB GLU 32 -4.668 0.299 8.258 225 HB3 GLU 32 3HB GLU 32 -4.902 -0.630 9.683 226 HG2 GLU 32 2HG GLU 32 -2.950 0.437 10.776 227 HG3 GLU 32 3HG GLU 32 -2.573 1.298 9.267 228 H THR 33 H THR 33 -1.488 0.187 7.418 229 HA THR 33 HA THR 33 -3.110 0.474 5.048 230 HB THR 33 HB THR 33 -1.575 2.073 4.181 231 HG1 THR 33 1HG THR 33 0.421 2.233 4.711 232 HG21 THR 33 1HG2 THR 33 -1.620 3.758 5.828 233 HG22 THR 33 2HG2 THR 33 -1.555 2.580 7.162 234 HG23 THR 33 3HG2 THR 33 -3.015 2.738 6.167 235 H LYS 34 H LYS 34 0.131 -0.911 5.694 236 HA LYS 34 HA LYS 34 0.757 -2.078 3.173 237 HB2 LYS 34 2HB LYS 34 2.296 -2.038 5.129 238 HB3 LYS 34 3HB LYS 34 1.186 -2.966 6.089 239 HG2 LYS 34 2HG LYS 34 2.807 -4.070 3.766 240 HG3 LYS 34 3HG LYS 34 3.097 -4.210 5.514 241 HD2 LYS 34 2HD LYS 34 1.032 -5.476 5.810 242 HD3 LYS 34 3HD LYS 34 0.839 -5.542 4.043 243 HE2 LYS 34 2HE LYS 34 3.065 -6.798 5.609 244 HE3 LYS 34 3HE LYS 34 1.616 -7.606 4.950 245 HZ1 LYS 34 3HZ LYS 34 3.843 -6.349 3.412 246 HZ2 LYS 34 1HZ LYS 34 2.403 -6.649 2.719 247 HZ3 LYS 34 2HZ LYS 34 3.287 -7.903 3.277 248 H LYS 35 H LYS 35 -0.661 -3.814 5.927 249 HA LYS 35 HA LYS 35 -1.367 -6.042 4.444 250 HB2 LYS 35 2HB LYS 35 -1.215 -5.451 6.978 251 HB3 LYS 35 3HB LYS 35 -2.875 -5.185 6.964 252 HG2 LYS 35 2HG LYS 35 -2.729 -7.499 7.524 253 HG3 LYS 35 3HG LYS 35 -2.885 -7.602 5.761 254 HD2 LYS 35 2HD LYS 35 -0.325 -7.410 5.699 255 HD3 LYS 35 3HD LYS 35 -0.351 -7.848 7.404 256 HE2 LYS 35 2HE LYS 35 -1.558 -9.480 5.117 257 HE3 LYS 35 3HE LYS 35 0.128 -9.607 5.656 258 HZ1 LYS 35 3HZ LYS 35 -2.223 -10.045 7.472 259 HZ2 LYS 35 1HZ LYS 35 -0.644 -10.415 7.788 260 HZ3 LYS 35 2HZ LYS 35 -1.487 -11.284 6.728 261 H ALA 36 H ALA 36 -3.473 -3.341 5.105 262 HA ALA 36 HA ALA 36 -5.668 -4.320 3.460 263 HB1 ALA 36 1HB ALA 36 -4.984 -1.414 3.984 264 HB2 ALA 36 2HB ALA 36 -6.535 -2.064 3.429 265 HB3 ALA 36 3HB ALA 36 -5.956 -2.455 5.058 266 H ARG 37 H ARG 37 -2.829 -2.304 2.492 267 HA ARG 37 HA ARG 37 -3.324 -1.912 -0.326 268 HB2 ARG 37 2HB ARG 37 -1.019 -1.400 1.121 269 HB3 ARG 37 3HB ARG 37 -0.584 -2.924 0.707 270 HG2 ARG 37 2HG ARG 37 -1.697 -1.612 -1.578 271 HG3 ARG 37 3HG ARG 37 -0.527 -0.574 -0.807 272 HD2 ARG 37 2HD ARG 37 -0.060 -2.340 -2.801 273 HD3 ARG 37 3HD ARG 37 0.957 -1.607 -1.672 274 HE ARG 37 HE ARG 37 0.277 -3.942 -0.498 275 HH11 ARG 37 1HH1 ARG 37 2.632 -2.741 -2.897 276 HH12 ARG 37 2HH1 ARG 37 3.988 -3.109 -1.855 277 HH21 ARG 37 1HH2 ARG 37 2.277 -4.672 0.572 278 HH22 ARG 37 2HH2 ARG 37 3.807 -4.119 -0.106 279 H ASP 38 H ASP 38 -1.594 -4.516 1.247 280 HA ASP 38 HA ASP 38 -1.004 -5.872 -1.061 281 HB2 ASP 38 2HB ASP 38 -0.997 -6.281 1.898 282 HB3 ASP 38 3HB ASP 38 -0.934 -7.808 1.002 283 H ALA 39 H ALA 39 -3.752 -6.232 1.264 284 HA ALA 39 HA ALA 39 -5.148 -8.462 0.310 285 HB1 ALA 39 1HB ALA 39 -7.067 -7.462 1.406 286 HB2 ALA 39 2HB ALA 39 -5.623 -7.189 2.407 287 HB3 ALA 39 3HB ALA 39 -6.296 -5.878 1.366 288 H CYS 40 H CYS 40 -5.441 -5.069 -0.975 289 HA CYS 40 HA CYS 40 -7.408 -5.752 -2.940 290 HB2 CYS 40 2HB CYS 40 -6.805 -3.484 -2.059 291 HB3 CYS 40 3HB CYS 40 -5.236 -3.727 -2.891 292 H ILE 41 H ILE 41 -3.871 -5.580 -2.977 293 HA ILE 41 HA ILE 41 -3.447 -6.068 -5.720 294 HB ILE 41 HB ILE 41 -1.661 -6.377 -3.273 295 HG12 ILE 41 2HG1 ILE 41 -0.464 -4.614 -4.602 296 HG13 ILE 41 3HG1 ILE 41 -1.728 -4.436 -5.706 297 HG21 ILE 41 1HG2 ILE 41 0.229 -6.736 -4.885 298 HG22 ILE 41 2HG2 ILE 41 -0.869 -8.086 -4.855 299 HG23 ILE 41 3HG2 ILE 41 -0.922 -6.959 -6.224 300 HD11 ILE 41 3HD1 ILE 41 -1.682 -3.784 -2.802 301 HD12 ILE 41 1HD1 ILE 41 -1.814 -2.660 -4.178 302 HD13 ILE 41 2HD1 ILE 41 -3.173 -3.723 -3.771 303 H ILE 42 H ILE 42 -3.695 -8.345 -3.002 304 HA ILE 42 HA ILE 42 -3.230 -10.842 -4.186 305 HB ILE 42 HB ILE 42 -5.153 -9.826 -2.049 306 HG12 ILE 42 2HG1 ILE 42 -2.511 -11.476 -2.012 307 HG13 ILE 42 3HG1 ILE 42 -2.568 -9.747 -1.691 308 HG21 ILE 42 1HG2 ILE 42 -6.236 -11.781 -2.779 309 HG22 ILE 42 2HG2 ILE 42 -4.727 -12.735 -2.779 310 HG23 ILE 42 3HG2 ILE 42 -5.464 -12.160 -1.257 311 HD11 ILE 42 3HD1 ILE 42 -4.015 -10.248 0.357 312 HD12 ILE 42 1HD1 ILE 42 -3.642 -11.957 0.070 313 HD13 ILE 42 2HD1 ILE 42 -2.335 -10.827 0.400 314 H GLU 43 H GLU 43 -6.073 -8.822 -4.434 315 HA GLU 43 HA GLU 43 -7.809 -10.924 -5.406 316 HB2 GLU 43 2HB GLU 43 -7.914 -9.302 -3.473 317 HB3 GLU 43 3HB GLU 43 -8.088 -7.992 -4.592 318 HG2 GLU 43 2HG GLU 43 -10.061 -10.248 -4.167 319 HG3 GLU 43 3HG GLU 43 -9.892 -8.710 -3.306 320 H LYS 44 H LYS 44 -6.598 -7.716 -6.436 321 HA LYS 44 HA LYS 44 -7.371 -8.374 -9.275 322 HB2 LYS 44 2HB LYS 44 -6.976 -5.590 -8.145 323 HB3 LYS 44 3HB LYS 44 -7.719 -6.113 -9.678 324 HG2 LYS 44 2HG LYS 44 -9.449 -7.369 -8.179 325 HG3 LYS 44 3HG LYS 44 -8.808 -6.383 -6.842 326 HD2 LYS 44 2HD LYS 44 -9.250 -4.339 -8.120 327 HD3 LYS 44 3HD LYS 44 -9.886 -5.316 -9.471 328 HE2 LYS 44 2HE LYS 44 -11.516 -6.335 -7.724 329 HE3 LYS 44 3HE LYS 44 -11.030 -5.008 -6.670 330 HZ1 LYS 44 3HZ LYS 44 -11.680 -3.497 -8.626 331 HZ2 LYS 44 1HZ LYS 44 -12.920 -4.202 -7.867 332 HZ3 LYS 44 2HZ LYS 44 -12.397 -4.783 -9.308 333 H GLY 45 H GLY 45 -4.900 -6.459 -7.547 334 HA2 GLY 45 1HA GLY 45 -2.530 -7.283 -8.238 335 HA3 GLY 45 2HA GLY 45 -3.026 -6.802 -9.849 336 H GLU 46 H GLU 46 -0.792 -5.618 -8.820 337 HA GLU 46 HA GLU 46 -1.291 -3.098 -7.402 338 HB2 GLU 46 2HB GLU 46 1.074 -4.139 -9.087 339 HB3 GLU 46 3HB GLU 46 1.067 -2.579 -8.249 340 HG2 GLU 46 2HG GLU 46 0.567 -3.830 -6.148 341 HG3 GLU 46 3HG GLU 46 0.895 -5.349 -6.990 342 H GLU 47 H GLU 47 -1.205 -4.235 -10.719 343 HA GLU 47 HA GLU 47 -1.480 -1.780 -12.127 344 HB2 GLU 47 2HB GLU 47 -2.381 -3.205 -13.907 345 HB3 GLU 47 3HB GLU 47 -0.820 -3.665 -13.251 346 HG2 GLU 47 2HG GLU 47 -3.150 -5.039 -12.001 347 HG3 GLU 47 3HG GLU 47 -2.846 -5.379 -13.715 348 H HIS 48 H HIS 48 -3.688 -3.153 -9.927 349 HA HIS 48 HA HIS 48 -6.038 -1.697 -11.075 350 HB2 HIS 48 2HB HIS 48 -5.682 -4.477 -9.921 351 HB3 HIS 48 3HB HIS 48 -7.237 -3.704 -9.987 352 HD2 HIS 48 2HD HIS 48 -5.337 -6.086 -11.880 353 HE1 HIS 48 1HE HIS 48 -7.620 -4.117 -14.897 354 HE2 HIS 48 2HE HIS 48 -6.257 -6.204 -14.350 355 H CYS 49 H CYS 49 -3.859 -1.885 -8.548 356 HA CYS 49 HA CYS 49 -5.669 -0.808 -6.469 357 HB2 CYS 49 2HB CYS 49 -3.552 -3.011 -6.356 358 HB3 CYS 49 3HB CYS 49 -4.135 -2.326 -5.053 359 H GLY 50 H GLY 50 -3.302 0.384 -8.307 360 HA2 GLY 50 1HA GLY 50 -1.525 1.104 -6.104 361 HA3 GLY 50 2HA GLY 50 -1.186 1.539 -7.696 362 H HIS 51 H HIS 51 -4.472 2.425 -6.961 363 HA HIS 51 HA HIS 51 -3.931 4.956 -5.573 364 HB2 HIS 51 2HB HIS 51 -6.283 5.008 -5.188 365 HB3 HIS 51 3HB HIS 51 -6.042 4.444 -6.844 366 HD2 HIS 51 2HD HIS 51 -7.970 3.585 -3.803 367 HE1 HIS 51 1HE HIS 51 -7.731 -0.099 -5.925 368 HE2 HIS 51 2HE HIS 51 -8.930 1.156 -4.054 369 H LEU 52 H LEU 52 -4.747 1.594 -4.656 370 HA LEU 52 HA LEU 52 -4.347 2.046 -1.807 371 HB2 LEU 52 2HB LEU 52 -4.927 -0.325 -3.605 372 HB3 LEU 52 3HB LEU 52 -3.964 -0.802 -2.414 373 HG LEU 52 HG LEU 52 -6.769 -0.504 -2.514 374 HD11 LEU 52 1HD1 LEU 52 -5.495 -2.086 -1.044 375 HD12 LEU 52 2HD1 LEU 52 -6.852 -1.303 -0.217 376 HD13 LEU 52 3HD1 LEU 52 -5.196 -0.748 0.067 377 HD21 LEU 52 3HD2 LEU 52 -7.514 1.004 -0.818 378 HD22 LEU 52 1HD2 LEU 52 -6.552 1.930 -2.023 379 HD23 LEU 52 2HD2 LEU 52 -5.842 1.505 -0.457 380 H ILE 53 H ILE 53 -2.148 1.528 -4.396 381 HA ILE 53 HA ILE 53 0.025 1.177 -2.445 382 HB ILE 53 HB ILE 53 0.269 1.981 -5.353 383 HG12 ILE 53 2HG1 ILE 53 0.993 -0.669 -4.118 384 HG13 ILE 53 3HG1 ILE 53 -0.659 -0.428 -4.407 385 HG21 ILE 53 1HG2 ILE 53 2.240 2.637 -3.984 386 HG22 ILE 53 2HG2 ILE 53 2.297 1.003 -3.274 387 HG23 ILE 53 3HG2 ILE 53 2.640 1.243 -4.998 388 HD11 ILE 53 3HD1 ILE 53 1.700 -0.565 -6.345 389 HD12 ILE 53 1HD1 ILE 53 0.297 -1.646 -6.226 390 HD13 ILE 53 2HD1 ILE 53 0.105 -0.037 -6.907 391 H GLU 54 H GLU 54 -1.101 4.054 -4.360 392 HA GLU 54 HA GLU 54 0.819 5.897 -3.451 393 HB2 GLU 54 2HB GLU 54 -1.972 6.291 -4.516 394 HB3 GLU 54 3HB GLU 54 -0.897 7.619 -4.171 395 HG2 GLU 54 2HG GLU 54 0.018 5.422 -6.070 396 HG3 GLU 54 3HG GLU 54 -1.123 6.644 -6.623 397 H ALA 55 H ALA 55 -2.499 5.286 -2.287 398 HA ALA 55 HA ALA 55 -2.550 7.322 -0.335 399 HB1 ALA 55 1HB ALA 55 -4.559 6.142 -1.161 400 HB2 ALA 55 2HB ALA 55 -3.975 4.584 -0.535 401 HB3 ALA 55 3HB ALA 55 -4.441 5.893 0.588 402 H HIS 56 H HIS 56 -1.512 3.942 -0.226 403 HA HIS 56 HA HIS 56 -0.767 3.976 2.604 404 HB2 HIS 56 2HB HIS 56 -0.537 1.806 0.462 405 HB3 HIS 56 3HB HIS 56 -0.164 1.647 2.164 406 HD2 HIS 56 2HD HIS 56 -2.615 -0.003 0.781 407 HE1 HIS 56 1HE HIS 56 -5.192 2.486 3.080 408 HE2 HIS 56 2HE HIS 56 -4.994 0.257 1.875 409 H LYS 57 H LYS 57 0.828 4.396 -0.461 410 HA LYS 57 HA LYS 57 3.429 3.964 0.066 411 HB2 LYS 57 2HB LYS 57 1.883 4.692 -1.966 412 HB3 LYS 57 3HB LYS 57 2.359 6.207 -1.744 413 HG2 LYS 57 2HG LYS 57 4.817 5.039 -1.992 414 HG3 LYS 57 3HG LYS 57 3.772 3.671 -2.456 415 HD2 LYS 57 2HD LYS 57 2.698 5.133 -4.197 416 HD3 LYS 57 3HD LYS 57 3.791 6.449 -3.752 417 HE2 LYS 57 2HE LYS 57 5.712 5.018 -4.520 418 HE3 LYS 57 3HE LYS 57 4.543 3.777 -5.016 419 HZ1 LYS 57 3HZ LYS 57 4.770 6.531 -6.078 420 HZ2 LYS 57 1HZ LYS 57 3.497 5.648 -6.409 421 HZ3 LYS 57 2HZ LYS 57 4.998 5.140 -6.939 422 H GLU 58 H GLU 58 1.610 6.978 0.496 423 HA GLU 58 HA GLU 58 3.769 8.401 1.743 424 HB2 GLU 58 2HB GLU 58 2.159 9.958 2.725 425 HB3 GLU 58 3HB GLU 58 2.053 9.752 0.971 426 HG2 GLU 58 2HG GLU 58 0.174 8.288 1.197 427 HG3 GLU 58 3HG GLU 58 0.231 8.356 2.970 428 H CYS 59 H CYS 59 1.455 6.210 3.181 429 HA CYS 59 HA CYS 59 2.234 6.614 5.915 430 HB2 CYS 59 2HB CYS 59 0.217 5.371 5.052 431 HB3 CYS 59 3HB CYS 59 1.215 3.961 4.774 432 H MET 60 H MET 60 3.520 4.285 3.468 433 HA MET 60 HA MET 60 5.695 3.382 5.123 434 HB2 MET 60 2HB MET 60 5.065 3.322 2.164 435 HB3 MET 60 3HB MET 60 6.710 3.004 2.692 436 HG2 MET 60 2HG MET 60 5.702 0.887 2.594 437 HG3 MET 60 3HG MET 60 5.850 1.287 4.295 438 HE1 MET 60 3HE MET 60 3.609 0.197 1.410 439 HE2 MET 60 1HE MET 60 1.976 0.730 1.863 440 HE3 MET 60 2HE MET 60 3.196 1.925 1.375 441 H ARG 61 H ARG 61 5.705 6.083 2.618 442 HA ARG 61 HA ARG 61 8.455 6.643 2.965 443 HB2 ARG 61 2HB ARG 61 8.175 8.198 1.479 444 HB3 ARG 61 3HB ARG 61 6.568 7.462 1.281 445 HG2 ARG 61 2HG ARG 61 5.742 9.283 2.875 446 HG3 ARG 61 3HG ARG 61 7.362 9.987 2.688 447 HD2 ARG 61 2HD ARG 61 5.354 9.381 0.455 448 HD3 ARG 61 3HD ARG 61 5.678 10.964 1.146 449 HE ARG 61 HE ARG 61 8.017 9.561 -0.069 450 HH11 ARG 61 1HH1 ARG 61 5.453 11.841 -0.754 451 HH12 ARG 61 2HH1 ARG 61 6.262 12.400 -2.206 452 HH21 ARG 61 1HH2 ARG 61 8.952 10.276 -1.834 453 HH22 ARG 61 2HH2 ARG 61 8.259 11.599 -2.757 454 H ALA 62 H ALA 62 5.816 7.829 4.922 455 HA ALA 62 HA ALA 62 7.037 9.834 6.404 456 HB1 ALA 62 1HB ALA 62 5.184 7.648 7.440 457 HB2 ALA 62 2HB ALA 62 5.469 9.234 8.196 458 HB3 ALA 62 3HB ALA 62 4.679 9.139 6.604 459 H LEU 63 H LEU 63 7.843 6.434 6.610 460 HA LEU 63 HA LEU 63 9.354 6.461 9.086 461 HB2 LEU 63 2HB LEU 63 9.247 4.702 6.601 462 HB3 LEU 63 3HB LEU 63 10.347 4.366 7.882 463 HG LEU 63 HG LEU 63 8.045 3.124 7.719 464 HD11 LEU 63 1HD1 LEU 63 9.795 2.799 9.355 465 HD12 LEU 63 2HD1 LEU 63 8.197 2.694 10.111 466 HD13 LEU 63 3HD1 LEU 63 9.196 4.175 10.311 467 HD21 LEU 63 3HD2 LEU 63 7.176 5.466 9.460 468 HD22 LEU 63 1HD2 LEU 63 6.314 3.931 9.231 469 HD23 LEU 63 2HD2 LEU 63 6.501 5.036 7.870 470 H GLY 64 H GLY 64 10.094 7.490 5.849 471 HA2 GLY 64 1HA GLY 64 12.150 8.324 4.987 472 HA3 GLY 64 2HA GLY 64 13.050 7.521 6.284 473 H PHE 65 H PHE 65 10.504 5.851 4.469 474 HA PHE 65 HA PHE 65 12.428 3.927 3.366 475 HB2 PHE 65 2HB PHE 65 9.436 4.142 3.144 476 HB3 PHE 65 3HB PHE 65 10.338 2.878 2.402 477 HD1 PHE 65 1HD PHE 65 12.120 3.225 5.423 478 HD2 PHE 65 2HD PHE 65 8.292 1.906 3.916 479 HE1 PHE 65 1HE PHE 65 11.815 1.828 7.418 480 HE2 PHE 65 2HE PHE 65 8.013 0.468 5.913 481 HZ PHE 65 HZ PHE 65 9.757 0.443 7.680 482 H LYS 66 H LYS 66 11.738 3.314 0.852 483 HA LYS 66 HA LYS 66 13.017 5.546 -0.451 484 HB2 LYS 66 2HB LYS 66 12.785 2.605 -1.179 485 HB3 LYS 66 3HB LYS 66 13.862 3.805 -1.919 486 HG2 LYS 66 2HG LYS 66 14.257 4.095 0.905 487 HG3 LYS 66 3HG LYS 66 14.102 2.382 0.678 488 HD2 LYS 66 2HD LYS 66 15.838 4.387 -0.810 489 HD3 LYS 66 3HD LYS 66 16.395 3.470 0.596 490 HE2 LYS 66 2HE LYS 66 17.092 1.755 -0.662 491 HE3 LYS 66 3HE LYS 66 15.482 1.559 -1.365 492 HZ1 LYS 66 3HZ LYS 66 17.483 3.517 -2.390 493 HZ2 LYS 66 1HZ LYS 66 16.067 3.158 -3.083 494 HZ3 LYS 66 2HZ LYS 66 17.303 2.043 -3.019 495 H ILE 67 H ILE 67 10.733 6.302 -0.261 496 HA ILE 67 HA ILE 67 9.224 5.944 -2.769 497 HB ILE 67 HB ILE 67 8.232 6.749 -0.044 498 HG12 ILE 67 2HG1 ILE 67 6.715 4.875 -0.012 499 HG13 ILE 67 3HG1 ILE 67 7.377 4.260 -1.522 500 HG21 ILE 67 1HG2 ILE 67 6.982 7.963 -1.819 501 HG22 ILE 67 2HG2 ILE 67 6.629 6.434 -2.621 502 HG23 ILE 67 3HG2 ILE 67 5.941 6.803 -1.013 503 HD11 ILE 67 3HD1 ILE 67 9.394 3.616 -0.480 504 HD12 ILE 67 1HD1 ILE 67 9.003 4.579 0.982 505 HD13 ILE 67 2HD1 ILE 67 8.091 3.102 0.594 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 2.697 -3.126 39.169 2 H2 GLY 1 H2 GLY 1 1.824 -3.144 40.573 3 H3 GLY 1 H3 GLY 1 1.659 -1.891 39.520 4 HA2 GLY 1 2HA GLY 1 -0.216 -3.422 39.485 5 HA3 GLY 1 1HA GLY 1 0.594 -3.217 37.918 6 H SER 2 H SER 2 -0.900 -5.502 39.496 7 HA SER 2 HA SER 2 0.860 -7.806 39.389 8 HB2 SER 2 2HB SER 2 -1.352 -9.019 39.354 9 HB3 SER 2 3HB SER 2 -1.215 -7.847 40.676 10 HG SER 2 HG SER 2 -2.381 -7.258 38.146 11 H PHE 3 H PHE 3 0.979 -9.425 37.698 12 HA PHE 3 HA PHE 3 -0.460 -8.986 35.175 13 HB2 PHE 3 2HB PHE 3 1.551 -9.050 33.806 14 HB3 PHE 3 3HB PHE 3 1.599 -7.668 34.883 15 HD1 PHE 3 1HD PHE 3 3.100 -7.711 36.931 16 HD2 PHE 3 2HD PHE 3 3.240 -10.791 33.909 17 HE1 PHE 3 1HE PHE 3 5.280 -8.498 37.824 18 HE2 PHE 3 2HE PHE 3 5.436 -11.541 34.780 19 HZ PHE 3 HZ PHE 3 6.447 -10.409 36.750 20 H THR 4 H THR 4 -0.224 -10.864 33.705 21 HA THR 4 HA THR 4 0.344 -13.472 35.091 22 HB THR 4 HB THR 4 -1.838 -14.284 34.394 23 HG1 THR 4 1HG THR 4 -3.374 -12.527 33.939 24 HG21 THR 4 1HG2 THR 4 -1.467 -13.349 36.705 25 HG22 THR 4 2HG2 THR 4 -3.145 -13.315 36.155 26 HG23 THR 4 3HG2 THR 4 -2.179 -11.824 36.157 27 H MET 5 H MET 5 -0.121 -11.849 31.989 28 HA MET 5 HA MET 5 0.396 -12.377 29.880 29 HB2 MET 5 2HB MET 5 2.608 -12.360 31.093 30 HB3 MET 5 3HB MET 5 2.571 -14.124 31.060 31 HG2 MET 5 2HG MET 5 3.929 -13.277 29.244 32 HG3 MET 5 3HG MET 5 2.498 -14.051 28.566 33 HE1 MET 5 3HE MET 5 4.522 -12.162 26.994 34 HE2 MET 5 1HE MET 5 3.105 -12.888 26.206 35 HE3 MET 5 2HE MET 5 3.417 -11.150 26.045 36 HA PRO 6 HA PRO 6 -1.637 -16.550 29.652 37 HB2 PRO 6 2HB PRO 6 -4.210 -15.926 28.985 38 HB3 PRO 6 3HB PRO 6 -3.596 -15.722 30.655 39 HG2 PRO 6 2HG PRO 6 -3.769 -13.589 28.483 40 HG3 PRO 6 3HG PRO 6 -4.413 -13.512 30.159 41 HD2 PRO 6 2HD PRO 6 -1.968 -12.481 29.488 42 HD3 PRO 6 3HD PRO 6 -2.271 -13.245 31.070 43 H GLY 7 H GLY 7 0.054 -16.340 27.973 44 HA2 GLY 7 1HA GLY 7 -1.211 -17.344 25.521 45 HA3 GLY 7 2HA GLY 7 0.090 -16.156 25.304 46 H LEU 8 H LEU 8 -0.176 -19.258 24.920 47 HA LEU 8 HA LEU 8 0.737 -21.236 25.459 48 HB2 LEU 8 2HB LEU 8 3.099 -19.562 25.972 49 HB3 LEU 8 3HB LEU 8 3.142 -21.286 26.103 50 HG LEU 8 HG LEU 8 2.441 -21.665 23.922 51 HD11 LEU 8 1HD1 LEU 8 2.805 -18.676 23.414 52 HD12 LEU 8 2HD1 LEU 8 1.326 -19.632 23.146 53 HD13 LEU 8 3HD1 LEU 8 2.733 -19.900 22.127 54 HD21 LEU 8 3HD2 LEU 8 4.626 -21.164 22.870 55 HD22 LEU 8 1HD2 LEU 8 4.833 -21.618 24.565 56 HD23 LEU 8 2HD2 LEU 8 4.930 -19.909 24.094 57 H VAL 9 H VAL 9 1.862 -22.518 27.448 58 HA VAL 9 HA VAL 9 2.846 -20.243 28.781 59 HB VAL 9 HB VAL 9 3.164 -22.316 30.805 60 HG11 VAL 9 1HG1 VAL 9 2.092 -19.469 30.765 61 HG12 VAL 9 2HG1 VAL 9 2.602 -20.356 32.228 62 HG13 VAL 9 3HG1 VAL 9 3.788 -19.937 30.968 63 HG21 VAL 9 3HG2 VAL 9 1.006 -22.183 31.888 64 HG22 VAL 9 1HG2 VAL 9 0.322 -21.301 30.515 65 HG23 VAL 9 2HG2 VAL 9 0.854 -22.989 30.320 66 H ASP 10 H ASP 10 3.429 -23.035 27.019 67 HA ASP 10 HA ASP 10 6.231 -23.365 27.849 68 HB2 ASP 10 2HB ASP 10 4.669 -24.306 29.722 69 HB3 ASP 10 3HB ASP 10 4.373 -25.636 28.623 70 H SER 11 H SER 11 6.376 -23.065 25.562 71 HA SER 11 HA SER 11 6.789 -23.696 23.442 72 HB2 SER 11 2HB SER 11 7.474 -25.856 22.898 73 HB3 SER 11 3HB SER 11 7.874 -25.670 24.615 74 HG SER 11 HG SER 11 5.780 -26.653 25.009 75 H ASN 12 H ASN 12 5.733 -25.492 21.599 76 HA ASN 12 HA ASN 12 2.861 -25.512 21.698 77 HB2 ASN 12 2HB ASN 12 4.065 -23.094 20.753 78 HB3 ASN 12 3HB ASN 12 3.419 -23.899 19.345 79 HD21 ASN 12 1HD2 ASN 12 2.321 -23.669 22.774 80 HD22 ASN 12 2HD2 ASN 12 0.701 -23.131 22.317 81 HA PRO 13 HA PRO 13 3.498 -28.783 19.099 82 HB2 PRO 13 2HB PRO 13 1.273 -29.062 17.565 83 HB3 PRO 13 3HB PRO 13 1.205 -28.998 19.354 84 HG2 PRO 13 2HG PRO 13 0.573 -26.808 17.387 85 HG3 PRO 13 3HG PRO 13 -0.248 -27.205 18.929 86 HD2 PRO 13 2HD PRO 13 1.737 -25.230 18.500 87 HD3 PRO 13 3HD PRO 13 1.262 -25.832 20.102 88 H ALA 14 H ALA 14 5.331 -28.636 17.967 89 HA ALA 14 HA ALA 14 5.120 -28.220 15.024 90 HB1 ALA 14 1HB ALA 14 5.612 -26.033 16.038 91 HB2 ALA 14 2HB ALA 14 7.047 -26.715 16.837 92 HB3 ALA 14 3HB ALA 14 6.979 -26.643 15.069 93 HA PRO 15 HA PRO 15 7.943 -31.815 16.003 94 HB2 PRO 15 2HB PRO 15 6.706 -33.693 14.444 95 HB3 PRO 15 3HB PRO 15 6.151 -33.310 16.113 96 HG2 PRO 15 2HG PRO 15 5.062 -32.242 13.477 97 HG3 PRO 15 3HG PRO 15 4.149 -32.940 14.851 98 HD2 PRO 15 2HD PRO 15 4.471 -30.251 14.522 99 HD3 PRO 15 3HD PRO 15 4.404 -30.989 16.131 100 HA PRO 16 HA PRO 16 10.183 -30.951 12.308 101 HB2 PRO 16 2HB PRO 16 11.993 -32.978 12.102 102 HB3 PRO 16 3HB PRO 16 11.915 -31.859 13.495 103 HG2 PRO 16 2HG PRO 16 10.638 -34.611 13.285 104 HG3 PRO 16 3HG PRO 16 11.740 -34.014 14.563 105 HD2 PRO 16 2HD PRO 16 9.041 -33.922 14.863 106 HD3 PRO 16 3HD PRO 16 10.080 -32.598 15.461 107 H GLU 17 H GLU 17 7.823 -31.563 11.395 108 HA GLU 17 HA GLU 17 8.353 -33.048 8.878 109 HB2 GLU 17 2HB GLU 17 7.156 -34.602 10.059 110 HB3 GLU 17 3HB GLU 17 5.981 -33.362 10.511 111 HG2 GLU 17 2HG GLU 17 5.092 -33.177 8.341 112 HG3 GLU 17 3HG GLU 17 6.455 -33.993 7.601 113 H SER 18 H SER 18 6.372 -30.532 10.445 114 HA SER 18 HA SER 18 5.727 -29.260 7.946 115 HB2 SER 18 2HB SER 18 5.980 -27.509 10.207 116 HB3 SER 18 3HB SER 18 4.651 -27.750 8.889 117 HG SER 18 HG SER 18 4.105 -28.006 11.210 118 H GLN 19 H GLN 19 6.653 -27.219 7.118 119 HA GLN 19 HA GLN 19 9.457 -26.643 8.069 120 HB2 GLN 19 2HB GLN 19 9.500 -25.032 6.372 121 HB3 GLN 19 3HB GLN 19 8.543 -26.371 5.723 122 HG2 GLN 19 2HG GLN 19 6.624 -24.623 6.840 123 HG3 GLN 19 3HG GLN 19 7.815 -23.548 6.109 124 HE21 GLN 19 1HE2 GLN 19 7.770 -23.414 3.791 125 HE22 GLN 19 2HE2 GLN 19 6.641 -24.381 2.844 126 H GLU 20 H GLU 20 6.257 -25.954 8.895 127 HA GLU 20 HA GLU 20 5.003 -24.635 10.011 128 HB2 GLU 20 2HB GLU 20 6.645 -25.768 11.730 129 HB3 GLU 20 3HB GLU 20 7.164 -24.123 12.017 130 HG2 GLU 20 2HG GLU 20 5.397 -24.982 13.571 131 HG3 GLU 20 3HG GLU 20 4.996 -23.473 12.776 132 H LYS 21 H LYS 21 5.057 -22.326 11.433 133 HA LYS 21 HA LYS 21 5.376 -20.398 9.225 134 HB2 LYS 21 2HB LYS 21 3.429 -20.723 11.168 135 HB3 LYS 21 3HB LYS 21 4.470 -19.531 11.942 136 HG2 LYS 21 2HG LYS 21 3.042 -18.143 10.835 137 HG3 LYS 21 3HG LYS 21 4.278 -18.277 9.595 138 HD2 LYS 21 2HD LYS 21 1.600 -19.760 9.711 139 HD3 LYS 21 3HD LYS 21 2.017 -18.410 8.682 140 HE2 LYS 21 2HE LYS 21 2.231 -20.072 7.162 141 HE3 LYS 21 3HE LYS 21 3.896 -19.987 7.732 142 HZ1 LYS 21 3HZ LYS 21 3.101 -22.263 7.613 143 HZ2 LYS 21 1HZ LYS 21 1.779 -21.944 8.455 144 HZ3 LYS 21 2HZ LYS 21 3.246 -21.921 9.234 145 H LYS 22 H LYS 22 6.775 -18.691 9.176 146 HA LYS 22 HA LYS 22 9.174 -18.689 10.853 147 HB2 LYS 22 2HB LYS 22 8.087 -17.013 8.587 148 HB3 LYS 22 3HB LYS 22 9.244 -16.265 9.663 149 HG2 LYS 22 2HG LYS 22 10.338 -17.150 7.699 150 HG3 LYS 22 3HG LYS 22 10.940 -17.901 9.168 151 HD2 LYS 22 2HD LYS 22 9.824 -19.987 8.675 152 HD3 LYS 22 3HD LYS 22 8.852 -19.229 7.406 153 HE2 LYS 22 2HE LYS 22 10.611 -20.591 6.399 154 HE3 LYS 22 3HE LYS 22 10.816 -18.878 6.003 155 HZ1 LYS 22 3HZ LYS 22 12.551 -18.729 7.655 156 HZ2 LYS 22 1HZ LYS 22 12.944 -19.857 6.572 157 HZ3 LYS 22 2HZ LYS 22 12.411 -20.334 8.036 158 HA PRO 23 HA PRO 23 7.297 -16.355 14.148 159 HB2 PRO 23 2HB PRO 23 9.474 -15.496 15.553 160 HB3 PRO 23 3HB PRO 23 9.016 -17.222 15.460 161 HG2 PRO 23 2HG PRO 23 11.059 -15.755 13.760 162 HG3 PRO 23 3HG PRO 23 11.278 -17.285 14.662 163 HD2 PRO 23 2HD PRO 23 10.667 -17.257 12.008 164 HD3 PRO 23 3HD PRO 23 9.971 -18.490 13.104 165 H LEU 24 H LEU 24 7.139 -14.170 15.058 166 HA LEU 24 HA LEU 24 7.893 -11.995 13.162 167 HB2 LEU 24 2HB LEU 24 5.334 -12.743 14.510 168 HB3 LEU 24 3HB LEU 24 5.736 -11.036 14.565 169 HG LEU 24 HG LEU 24 5.901 -10.898 12.140 170 HD11 LEU 24 1HD1 LEU 24 5.121 -12.786 10.701 171 HD12 LEU 24 2HD1 LEU 24 5.166 -13.859 12.116 172 HD13 LEU 24 3HD1 LEU 24 6.653 -13.125 11.491 173 HD21 LEU 24 3HD2 LEU 24 3.530 -11.239 11.608 174 HD22 LEU 24 1HD2 LEU 24 3.709 -10.566 13.233 175 HD23 LEU 24 2HD2 LEU 24 3.341 -12.295 13.018 176 H LYS 25 H LYS 25 7.833 -9.833 14.193 177 HA LYS 25 HA LYS 25 8.829 -9.517 16.929 178 HB2 LYS 25 2HB LYS 25 10.528 -9.268 14.429 179 HB3 LYS 25 3HB LYS 25 10.756 -8.069 15.675 180 HG2 LYS 25 2HG LYS 25 11.685 -9.489 17.183 181 HG3 LYS 25 3HG LYS 25 10.756 -10.891 16.675 182 HD2 LYS 25 2HD LYS 25 13.031 -9.731 15.019 183 HD3 LYS 25 3HD LYS 25 13.238 -11.022 16.216 184 HE2 LYS 25 2HE LYS 25 11.625 -12.449 15.027 185 HE3 LYS 25 3HE LYS 25 11.303 -11.158 13.872 186 HZ1 LYS 25 3HZ LYS 25 12.793 -12.595 12.849 187 HZ2 LYS 25 1HZ LYS 25 13.870 -12.629 14.123 188 HZ3 LYS 25 2HZ LYS 25 13.684 -11.284 13.230 189 HA PRO 26 HA PRO 26 6.409 -5.893 16.432 190 HB2 PRO 26 2HB PRO 26 7.712 -3.896 17.833 191 HB3 PRO 26 3HB PRO 26 6.857 -5.264 18.591 192 HG2 PRO 26 2HG PRO 26 9.814 -5.017 18.017 193 HG3 PRO 26 3HG PRO 26 9.026 -5.541 19.536 194 HD2 PRO 26 2HD PRO 26 9.994 -7.341 17.752 195 HD3 PRO 26 3HD PRO 26 8.445 -7.645 18.609 196 H CYS 27 H CYS 27 6.045 -4.497 14.780 197 HA CYS 27 HA CYS 27 8.253 -2.907 13.635 198 HB2 CYS 27 2HB CYS 27 8.314 -5.149 12.532 199 HB3 CYS 27 3HB CYS 27 6.644 -4.893 11.966 200 HG CYS 27 HG CYS 27 8.418 -4.481 10.022 201 H CYS 28 H CYS 28 7.246 -1.035 14.157 202 HA CYS 28 HA CYS 28 4.586 -0.254 13.420 203 HB2 CYS 28 2HB CYS 28 7.113 1.366 14.018 204 HB3 CYS 28 3HB CYS 28 5.490 2.061 13.846 205 HG CYS 28 HG CYS 28 5.966 2.000 16.347 206 H ALA 29 H ALA 29 6.130 -1.428 11.045 207 HA ALA 29 HA ALA 29 6.285 0.831 9.194 208 HB1 ALA 29 1HB ALA 29 6.373 -2.125 8.585 209 HB2 ALA 29 2HB ALA 29 6.777 -0.762 7.512 210 HB3 ALA 29 3HB ALA 29 7.795 -1.081 8.939 211 H CYS 30 H CYS 30 3.866 1.143 10.153 212 HA CYS 30 HA CYS 30 1.590 1.166 9.744 213 HB2 CYS 30 2HB CYS 30 2.723 1.300 6.986 214 HB3 CYS 30 3HB CYS 30 1.111 1.722 7.497 215 HA PRO 31 HA PRO 31 0.754 -3.518 8.417 216 HB2 PRO 31 2HB PRO 31 -0.785 -3.661 10.711 217 HB3 PRO 31 3HB PRO 31 0.903 -4.300 10.581 218 HG2 PRO 31 2HG PRO 31 -0.071 -1.700 11.797 219 HG3 PRO 31 3HG PRO 31 1.196 -2.811 12.412 220 HD2 PRO 31 2HD PRO 31 1.850 -0.529 11.051 221 HD3 PRO 31 3HD PRO 31 2.765 -2.030 10.806 222 H GLU 32 H GLU 32 -1.281 -0.909 9.956 223 HA GLU 32 HA GLU 32 -3.627 -1.855 8.835 224 HB2 GLU 32 2HB GLU 32 -3.734 1.050 8.552 225 HB3 GLU 32 3HB GLU 32 -4.474 0.050 9.755 226 HG2 GLU 32 2HG GLU 32 -2.377 0.302 11.176 227 HG3 GLU 32 3HG GLU 32 -1.677 1.277 9.881 228 H THR 33 H THR 33 -1.395 0.378 7.291 229 HA THR 33 HA THR 33 -3.083 0.565 4.941 230 HB THR 33 HB THR 33 -1.193 1.984 4.047 231 HG1 THR 33 1HG THR 33 0.309 2.560 5.668 232 HG21 THR 33 1HG2 THR 33 -3.064 2.910 5.519 233 HG22 THR 33 2HG2 THR 33 -1.572 3.849 5.493 234 HG23 THR 33 3HG2 THR 33 -1.928 2.793 6.885 235 H LYS 34 H LYS 34 0.180 -0.727 5.574 236 HA LYS 34 HA LYS 34 0.804 -2.045 3.132 237 HB2 LYS 34 2HB LYS 34 2.271 -1.772 5.138 238 HB3 LYS 34 3HB LYS 34 1.167 -2.756 6.097 239 HG2 LYS 34 2HG LYS 34 3.040 -3.855 3.971 240 HG3 LYS 34 3HG LYS 34 3.156 -3.731 5.745 241 HD2 LYS 34 2HD LYS 34 2.677 -5.841 5.769 242 HD3 LYS 34 3HD LYS 34 1.086 -5.165 5.880 243 HE2 LYS 34 2HE LYS 34 0.965 -7.002 4.396 244 HE3 LYS 34 3HE LYS 34 0.816 -5.570 3.389 245 HZ1 LYS 34 3HZ LYS 34 2.324 -7.170 2.435 246 HZ2 LYS 34 1HZ LYS 34 3.286 -7.194 3.767 247 HZ3 LYS 34 2HZ LYS 34 3.179 -5.841 2.810 248 H LYS 35 H LYS 35 -0.726 -3.594 5.905 249 HA LYS 35 HA LYS 35 -1.349 -6.051 4.597 250 HB2 LYS 35 2HB LYS 35 -1.325 -5.392 7.053 251 HB3 LYS 35 3HB LYS 35 -2.852 -4.674 6.853 252 HG2 LYS 35 2HG LYS 35 -3.309 -6.692 7.849 253 HG3 LYS 35 3HG LYS 35 -3.765 -6.937 6.188 254 HD2 LYS 35 2HD LYS 35 -1.125 -7.925 7.324 255 HD3 LYS 35 3HD LYS 35 -2.639 -8.821 7.474 256 HE2 LYS 35 2HE LYS 35 -2.843 -8.881 4.979 257 HE3 LYS 35 3HE LYS 35 -1.230 -8.142 4.865 258 HZ1 LYS 35 3HZ LYS 35 -0.901 -10.292 6.555 259 HZ2 LYS 35 1HZ LYS 35 -0.455 -10.202 4.966 260 HZ3 LYS 35 2HZ LYS 35 -1.868 -10.910 5.419 261 H ALA 36 H ALA 36 -3.428 -3.237 5.093 262 HA ALA 36 HA ALA 36 -5.640 -4.114 3.502 263 HB1 ALA 36 1HB ALA 36 -6.284 -1.755 3.319 264 HB2 ALA 36 2HB ALA 36 -5.806 -2.178 4.968 265 HB3 ALA 36 3HB ALA 36 -4.689 -1.256 3.926 266 H ARG 37 H ARG 37 -2.730 -2.324 2.344 267 HA ARG 37 HA ARG 37 -3.262 -2.071 -0.444 268 HB2 ARG 37 2HB ARG 37 -0.942 -1.702 1.013 269 HB3 ARG 37 3HB ARG 37 -0.538 -3.233 0.464 270 HG2 ARG 37 2HG ARG 37 -1.646 -1.609 -1.675 271 HG3 ARG 37 3HG ARG 37 -0.371 -0.790 -0.850 272 HD2 ARG 37 2HD ARG 37 0.253 -2.012 -2.969 273 HD3 ARG 37 3HD ARG 37 1.144 -2.164 -1.483 274 HE ARG 37 HE ARG 37 -0.192 -4.398 -1.381 275 HH11 ARG 37 1HH1 ARG 37 2.400 -2.752 -3.070 276 HH12 ARG 37 2HH1 ARG 37 3.201 -4.219 -3.571 277 HH21 ARG 37 1HH2 ARG 37 1.189 -6.404 -2.015 278 HH22 ARG 37 2HH2 ARG 37 2.643 -6.095 -2.900 279 H ASP 38 H ASP 38 -1.787 -4.767 1.215 280 HA ASP 38 HA ASP 38 -1.302 -6.131 -1.107 281 HB2 ASP 38 2HB ASP 38 -0.899 -6.508 1.721 282 HB3 ASP 38 3HB ASP 38 -1.543 -8.026 1.130 283 H ALA 39 H ALA 39 -4.111 -6.350 1.123 284 HA ALA 39 HA ALA 39 -5.590 -8.520 0.133 285 HB1 ALA 39 1HB ALA 39 -7.486 -7.370 1.165 286 HB2 ALA 39 2HB ALA 39 -6.052 -7.160 2.190 287 HB3 ALA 39 3HB ALA 39 -6.610 -5.834 1.140 288 H CYS 40 H CYS 40 -5.580 -5.129 -1.186 289 HA CYS 40 HA CYS 40 -7.544 -5.754 -3.285 290 HB2 CYS 40 2HB CYS 40 -6.850 -3.492 -2.250 291 HB3 CYS 40 3HB CYS 40 -5.324 -3.648 -3.039 292 H ILE 41 H ILE 41 -3.996 -5.607 -3.086 293 HA ILE 41 HA ILE 41 -3.375 -6.232 -5.813 294 HB ILE 41 HB ILE 41 -1.798 -6.391 -3.255 295 HG12 ILE 41 2HG1 ILE 41 -0.464 -4.641 -4.677 296 HG13 ILE 41 3HG1 ILE 41 -1.769 -4.605 -5.709 297 HG21 ILE 41 1HG2 ILE 41 -0.840 -7.173 -6.034 298 HG22 ILE 41 2HG2 ILE 41 0.223 -6.847 -4.649 299 HG23 ILE 41 3HG2 ILE 41 -0.887 -8.204 -4.591 300 HD11 ILE 41 3HD1 ILE 41 -3.245 -3.762 -3.915 301 HD12 ILE 41 1HD1 ILE 41 -1.838 -3.754 -2.870 302 HD13 ILE 41 2HD1 ILE 41 -1.866 -2.720 -4.298 303 H ILE 42 H ILE 42 -4.083 -8.298 -3.080 304 HA ILE 42 HA ILE 42 -3.633 -10.901 -4.117 305 HB ILE 42 HB ILE 42 -5.081 -9.534 -1.893 306 HG12 ILE 42 2HG1 ILE 42 -3.043 -11.756 -1.978 307 HG13 ILE 42 3HG1 ILE 42 -2.705 -10.030 -1.735 308 HG21 ILE 42 1HG2 ILE 42 -6.846 -11.023 -2.507 309 HG22 ILE 42 2HG2 ILE 42 -5.733 -12.428 -2.413 310 HG23 ILE 42 3HG2 ILE 42 -6.148 -11.474 -0.962 311 HD11 ILE 42 3HD1 ILE 42 -2.587 -11.157 0.381 312 HD12 ILE 42 1HD1 ILE 42 -4.021 -10.119 0.394 313 HD13 ILE 42 2HD1 ILE 42 -4.187 -11.880 0.179 314 H GLU 43 H GLU 43 -6.249 -8.694 -4.714 315 HA GLU 43 HA GLU 43 -8.178 -10.795 -5.530 316 HB2 GLU 43 2HB GLU 43 -8.025 -8.269 -4.027 317 HB3 GLU 43 3HB GLU 43 -9.271 -8.159 -5.128 318 HG2 GLU 43 2HG GLU 43 -9.001 -10.526 -3.226 319 HG3 GLU 43 3HG GLU 43 -9.651 -8.951 -2.789 320 H LYS 44 H LYS 44 -6.966 -7.637 -6.429 321 HA LYS 44 HA LYS 44 -7.812 -8.023 -9.311 322 HB2 LYS 44 2HB LYS 44 -7.063 -5.407 -8.028 323 HB3 LYS 44 3HB LYS 44 -7.891 -5.740 -9.553 324 HG2 LYS 44 2HG LYS 44 -9.772 -6.788 -8.136 325 HG3 LYS 44 3HG LYS 44 -8.975 -6.046 -6.729 326 HD2 LYS 44 2HD LYS 44 -9.024 -3.858 -7.793 327 HD3 LYS 44 3HD LYS 44 -9.771 -4.550 -9.251 328 HE2 LYS 44 2HE LYS 44 -11.745 -5.295 -7.905 329 HE3 LYS 44 3HE LYS 44 -11.017 -4.617 -6.447 330 HZ1 LYS 44 3HZ LYS 44 -11.783 -3.022 -8.831 331 HZ2 LYS 44 1HZ LYS 44 -11.231 -2.412 -7.404 332 HZ3 LYS 44 2HZ LYS 44 -12.710 -3.140 -7.521 333 H GLY 45 H GLY 45 -5.079 -6.787 -7.406 334 HA2 GLY 45 1HA GLY 45 -2.762 -7.583 -8.137 335 HA3 GLY 45 2HA GLY 45 -3.240 -7.171 -9.776 336 H GLU 46 H GLU 46 -0.904 -5.990 -8.695 337 HA GLU 46 HA GLU 46 -1.367 -3.467 -7.321 338 HB2 GLU 46 2HB GLU 46 0.907 -4.017 -9.254 339 HB3 GLU 46 3HB GLU 46 0.868 -2.925 -7.921 340 HG2 GLU 46 2HG GLU 46 2.163 -4.507 -6.976 341 HG3 GLU 46 3HG GLU 46 0.607 -5.214 -6.515 342 H GLU 47 H GLU 47 -1.166 -4.406 -10.678 343 HA GLU 47 HA GLU 47 -1.407 -1.935 -11.872 344 HB2 GLU 47 2HB GLU 47 -1.979 -3.230 -13.902 345 HB3 GLU 47 3HB GLU 47 -0.617 -3.826 -12.957 346 HG2 GLU 47 2HG GLU 47 -2.341 -5.520 -11.922 347 HG3 GLU 47 3HG GLU 47 -3.316 -5.099 -13.323 348 H HIS 48 H HIS 48 -3.859 -3.340 -9.999 349 HA HIS 48 HA HIS 48 -5.946 -1.534 -11.142 350 HB2 HIS 48 2HB HIS 48 -6.037 -4.339 -9.988 351 HB3 HIS 48 3HB HIS 48 -7.469 -3.378 -10.184 352 HD2 HIS 48 2HD HIS 48 -5.391 -5.799 -11.887 353 HE1 HIS 48 1HE HIS 48 -7.094 -3.740 -15.192 354 HE2 HIS 48 2HE HIS 48 -5.607 -5.690 -14.526 355 H CYS 49 H CYS 49 -3.788 -1.900 -8.667 356 HA CYS 49 HA CYS 49 -5.535 -0.792 -6.548 357 HB2 CYS 49 2HB CYS 49 -3.551 -3.068 -6.460 358 HB3 CYS 49 3HB CYS 49 -4.157 -2.360 -5.141 359 H GLY 50 H GLY 50 -3.029 0.230 -8.409 360 HA2 GLY 50 1HA GLY 50 -1.339 1.005 -6.179 361 HA3 GLY 50 2HA GLY 50 -1.017 1.509 -7.766 362 H HIS 51 H HIS 51 -4.334 2.222 -7.014 363 HA HIS 51 HA HIS 51 -3.939 4.788 -5.661 364 HB2 HIS 51 2HB HIS 51 -6.264 4.794 -5.360 365 HB3 HIS 51 3HB HIS 51 -6.036 4.028 -6.925 366 HD2 HIS 51 2HD HIS 51 -7.918 3.602 -3.789 367 HE1 HIS 51 1HE HIS 51 -7.510 -0.405 -5.145 368 HE2 HIS 51 2HE HIS 51 -8.695 1.126 -3.474 369 H LEU 52 H LEU 52 -4.558 1.426 -4.687 370 HA LEU 52 HA LEU 52 -4.082 1.908 -1.864 371 HB2 LEU 52 2HB LEU 52 -4.788 -0.392 -3.671 372 HB3 LEU 52 3HB LEU 52 -3.814 -0.944 -2.493 373 HG LEU 52 HG LEU 52 -6.609 -0.488 -2.572 374 HD11 LEU 52 1HD1 LEU 52 -6.684 -1.243 -0.244 375 HD12 LEU 52 2HD1 LEU 52 -4.973 -0.840 -0.033 376 HD13 LEU 52 3HD1 LEU 52 -5.455 -2.142 -1.131 377 HD21 LEU 52 3HD2 LEU 52 -5.599 1.457 -0.480 378 HD22 LEU 52 1HD2 LEU 52 -7.286 1.022 -0.861 379 HD23 LEU 52 2HD2 LEU 52 -6.296 1.932 -2.034 380 H ILE 53 H ILE 53 -1.851 1.335 -4.485 381 HA ILE 53 HA ILE 53 0.328 1.132 -2.560 382 HB ILE 53 HB ILE 53 0.422 2.071 -5.445 383 HG12 ILE 53 2HG1 ILE 53 1.483 -0.483 -4.290 384 HG13 ILE 53 3HG1 ILE 53 -0.205 -0.435 -4.512 385 HG21 ILE 53 1HG2 ILE 53 2.624 1.337 -3.462 386 HG22 ILE 53 2HG2 ILE 53 2.879 1.594 -5.201 387 HG23 ILE 53 3HG2 ILE 53 2.375 2.949 -4.184 388 HD11 ILE 53 3HD1 ILE 53 1.313 -1.516 -6.301 389 HD12 ILE 53 1HD1 ILE 53 0.169 -0.357 -6.967 390 HD13 ILE 53 2HD1 ILE 53 1.869 0.108 -6.730 391 H GLU 54 H GLU 54 -0.899 4.078 -4.389 392 HA GLU 54 HA GLU 54 0.983 5.838 -3.220 393 HB2 GLU 54 2HB GLU 54 -1.735 6.456 -4.377 394 HB3 GLU 54 3HB GLU 54 -0.553 7.641 -3.917 395 HG2 GLU 54 2HG GLU 54 -0.273 5.604 -6.158 396 HG3 GLU 54 3HG GLU 54 -0.483 7.332 -6.323 397 H ALA 55 H ALA 55 -2.390 5.127 -2.206 398 HA ALA 55 HA ALA 55 -2.453 7.102 -0.183 399 HB1 ALA 55 1HB ALA 55 -4.346 5.669 0.711 400 HB2 ALA 55 2HB ALA 55 -4.464 5.957 -1.040 401 HB3 ALA 55 3HB ALA 55 -3.885 4.383 -0.443 402 H HIS 56 H HIS 56 -1.266 3.776 -0.200 403 HA HIS 56 HA HIS 56 -0.587 3.733 2.652 404 HB2 HIS 56 2HB HIS 56 -0.279 1.689 0.423 405 HB3 HIS 56 3HB HIS 56 0.148 1.433 2.089 406 HD2 HIS 56 2HD HIS 56 -2.433 -0.120 0.642 407 HE1 HIS 56 1HE HIS 56 -4.980 2.436 2.885 408 HE2 HIS 56 2HE HIS 56 -4.877 0.306 1.505 409 H LYS 57 H LYS 57 1.059 4.205 -0.361 410 HA LYS 57 HA LYS 57 3.707 4.152 0.290 411 HB2 LYS 57 2HB LYS 57 2.127 4.590 -1.817 412 HB3 LYS 57 3HB LYS 57 2.420 6.192 -1.596 413 HG2 LYS 57 2HG LYS 57 5.001 5.261 -1.653 414 HG3 LYS 57 3HG LYS 57 4.106 3.842 -2.307 415 HD2 LYS 57 2HD LYS 57 2.951 5.391 -3.907 416 HD3 LYS 57 3HD LYS 57 3.910 6.735 -3.273 417 HE2 LYS 57 2HE LYS 57 5.948 5.405 -4.167 418 HE3 LYS 57 3HE LYS 57 4.746 4.414 -5.007 419 HZ1 LYS 57 3HZ LYS 57 5.165 6.154 -6.474 420 HZ2 LYS 57 1HZ LYS 57 5.179 7.329 -5.325 421 HZ3 LYS 57 2HZ LYS 57 3.758 6.629 -5.747 422 H GLU 58 H GLU 58 1.413 6.852 0.549 423 HA GLU 58 HA GLU 58 3.360 8.615 1.708 424 HB2 GLU 58 2HB GLU 58 1.522 10.014 2.589 425 HB3 GLU 58 3HB GLU 58 1.471 9.659 0.861 426 HG2 GLU 58 2HG GLU 58 -0.156 7.907 1.259 427 HG3 GLU 58 3HG GLU 58 -0.219 8.291 3.002 428 H CYS 59 H CYS 59 1.265 6.279 3.266 429 HA CYS 59 HA CYS 59 1.971 6.816 5.975 430 HB2 CYS 59 2HB CYS 59 0.132 5.370 5.149 431 HB3 CYS 59 3HB CYS 59 1.231 4.064 4.778 432 H MET 60 H MET 60 3.561 4.616 3.628 433 HA MET 60 HA MET 60 5.692 3.776 5.425 434 HB2 MET 60 2HB MET 60 5.240 3.698 2.396 435 HB3 MET 60 3HB MET 60 6.635 2.976 3.191 436 HG2 MET 60 2HG MET 60 5.210 1.524 4.529 437 HG3 MET 60 3HG MET 60 3.758 2.301 3.902 438 HE1 MET 60 3HE MET 60 2.649 0.056 3.340 439 HE2 MET 60 1HE MET 60 3.428 -1.240 2.407 440 HE3 MET 60 2HE MET 60 4.068 -0.786 4.001 441 H ARG 61 H ARG 61 5.610 6.321 2.776 442 HA ARG 61 HA ARG 61 8.390 6.987 2.972 443 HB2 ARG 61 2HB ARG 61 7.997 8.665 1.559 444 HB3 ARG 61 3HB ARG 61 6.543 7.720 1.261 445 HG2 ARG 61 2HG ARG 61 5.267 9.253 2.729 446 HG3 ARG 61 3HG ARG 61 6.752 10.133 3.064 447 HD2 ARG 61 2HD ARG 61 5.870 9.811 0.184 448 HD3 ARG 61 3HD ARG 61 5.068 11.008 1.199 449 HE ARG 61 HE ARG 61 7.860 11.084 0.250 450 HH11 ARG 61 1HH1 ARG 61 5.464 12.746 2.249 451 HH12 ARG 61 2HH1 ARG 61 6.664 13.800 2.923 452 HH21 ARG 61 1HH2 ARG 61 9.275 12.683 1.024 453 HH22 ARG 61 2HH2 ARG 61 8.746 13.685 2.337 454 H ALA 62 H ALA 62 5.722 8.100 4.915 455 HA ALA 62 HA ALA 62 6.970 10.162 6.325 456 HB1 ALA 62 1HB ALA 62 4.564 9.602 6.438 457 HB2 ALA 62 2HB ALA 62 4.953 8.169 7.415 458 HB3 ALA 62 3HB ALA 62 5.275 9.790 8.057 459 H LEU 63 H LEU 63 7.692 6.810 6.579 460 HA LEU 63 HA LEU 63 9.009 6.797 9.185 461 HB2 LEU 63 2HB LEU 63 9.088 4.858 6.827 462 HB3 LEU 63 3HB LEU 63 9.606 4.508 8.429 463 HG LEU 63 HG LEU 63 6.764 4.923 7.391 464 HD11 LEU 63 1HD1 LEU 63 7.957 2.577 8.782 465 HD12 LEU 63 2HD1 LEU 63 7.413 2.762 7.075 466 HD13 LEU 63 3HD1 LEU 63 6.235 2.812 8.370 467 HD21 LEU 63 3HD2 LEU 63 7.526 4.591 10.285 468 HD22 LEU 63 1HD2 LEU 63 5.868 4.649 9.591 469 HD23 LEU 63 2HD2 LEU 63 6.885 6.090 9.551 470 H GLY 64 H GLY 64 9.978 7.730 6.023 471 HA2 GLY 64 1HA GLY 64 12.058 8.391 5.263 472 HA3 GLY 64 2HA GLY 64 12.908 7.590 6.600 473 H PHE 65 H PHE 65 10.434 5.856 4.856 474 HA PHE 65 HA PHE 65 12.305 3.951 3.702 475 HB2 PHE 65 2HB PHE 65 9.322 4.411 3.522 476 HB3 PHE 65 3HB PHE 65 10.109 3.142 2.624 477 HD1 PHE 65 2HD PHE 65 11.304 3.678 6.158 478 HD2 PHE 65 1HD PHE 65 8.374 1.748 3.632 479 HE1 PHE 65 2HE PHE 65 10.755 2.148 7.969 480 HE2 PHE 65 1HE PHE 65 7.732 0.310 5.510 481 HZ PHE 65 HZ PHE 65 8.931 0.504 7.694 482 H LYS 66 H LYS 66 11.990 3.376 1.224 483 HA LYS 66 HA LYS 66 12.945 5.839 -0.069 484 HB2 LYS 66 2HB LYS 66 13.746 3.733 -1.712 485 HB3 LYS 66 3HB LYS 66 14.673 4.707 -0.606 486 HG2 LYS 66 2HG LYS 66 15.251 2.526 -0.016 487 HG3 LYS 66 3HG LYS 66 14.139 3.014 1.240 488 HD2 LYS 66 2HD LYS 66 13.346 0.900 0.760 489 HD3 LYS 66 3HD LYS 66 12.305 1.861 -0.323 490 HE2 LYS 66 2HE LYS 66 13.722 1.346 -2.235 491 HE3 LYS 66 3HE LYS 66 14.975 0.679 -1.189 492 HZ1 LYS 66 3HZ LYS 66 13.835 -1.137 -2.124 493 HZ2 LYS 66 1HZ LYS 66 12.359 -0.563 -1.786 494 HZ3 LYS 66 2HZ LYS 66 13.361 -1.109 -0.568 495 H ILE 67 H ILE 67 10.801 6.550 -0.265 496 HA ILE 67 HA ILE 67 9.250 5.420 -2.519 497 HB ILE 67 HB ILE 67 8.536 7.106 -0.103 498 HG12 ILE 67 2HG1 ILE 67 6.739 5.381 0.188 499 HG13 ILE 67 3HG1 ILE 67 7.384 4.498 -1.200 500 HG21 ILE 67 1HG2 ILE 67 6.817 6.646 -2.547 501 HG22 ILE 67 2HG2 ILE 67 6.145 7.166 -0.969 502 HG23 ILE 67 3HG2 ILE 67 7.298 8.201 -1.855 503 HD11 ILE 67 3HD1 ILE 67 7.948 3.618 1.099 504 HD12 ILE 67 1HD1 ILE 67 9.347 3.892 0.062 505 HD13 ILE 67 2HD1 ILE 67 8.935 5.075 1.338 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 62.602 9.461 -14.958 2 H2 GLY 1 H2 GLY 1 62.557 10.591 -16.167 3 H3 GLY 1 H3 GLY 1 63.243 9.127 -16.427 4 HA2 GLY 1 2HA GLY 1 60.370 9.631 -15.992 5 HA3 GLY 1 1HA GLY 1 61.151 9.069 -17.493 6 H SER 2 H SER 2 60.207 8.226 -14.227 7 HA SER 2 HA SER 2 61.116 5.438 -14.294 8 HB2 SER 2 2HB SER 2 63.078 6.154 -12.733 9 HB3 SER 2 3HB SER 2 63.248 6.430 -14.464 10 HG SER 2 HG SER 2 63.461 8.211 -12.601 11 H PHE 3 H PHE 3 58.848 7.313 -13.029 12 HA PHE 3 HA PHE 3 59.136 6.779 -10.159 13 HB2 PHE 3 2HB PHE 3 56.732 7.610 -11.839 14 HB3 PHE 3 3HB PHE 3 56.751 7.480 -10.088 15 HD1 PHE 3 1HD PHE 3 58.316 8.990 -8.728 16 HD2 PHE 3 2HD PHE 3 57.413 9.647 -12.896 17 HE1 PHE 3 1HE PHE 3 59.053 11.356 -8.520 18 HE2 PHE 3 2HE PHE 3 58.172 12.002 -12.688 19 HZ PHE 3 HZ PHE 3 58.987 12.861 -10.497 20 H THR 4 H THR 4 58.125 5.108 -9.020 21 HA THR 4 HA THR 4 56.327 3.223 -10.324 22 HB THR 4 HB THR 4 58.423 2.289 -11.052 23 HG1 THR 4 1HG THR 4 58.121 0.270 -10.284 24 HG21 THR 4 1HG2 THR 4 59.225 2.164 -8.114 25 HG22 THR 4 2HG2 THR 4 60.026 3.086 -9.403 26 HG23 THR 4 3HG2 THR 4 60.053 1.320 -9.441 27 H MET 5 H MET 5 55.745 1.476 -8.673 28 HA MET 5 HA MET 5 55.732 2.389 -5.873 29 HB2 MET 5 2HB MET 5 53.293 2.525 -5.722 30 HB3 MET 5 3HB MET 5 53.982 3.730 -6.802 31 HG2 MET 5 2HG MET 5 53.379 2.101 -8.730 32 HG3 MET 5 3HG MET 5 52.370 1.276 -7.548 33 HE1 MET 5 3HE MET 5 51.281 3.888 -5.813 34 HE2 MET 5 1HE MET 5 49.734 4.100 -6.659 35 HE3 MET 5 2HE MET 5 50.314 2.466 -6.280 36 HA PRO 6 HA PRO 6 55.450 -2.272 -6.220 37 HB2 PRO 6 2HB PRO 6 57.917 -3.006 -5.354 38 HB3 PRO 6 3HB PRO 6 57.652 -2.477 -7.043 39 HG2 PRO 6 2HG PRO 6 58.664 -0.808 -4.713 40 HG3 PRO 6 3HG PRO 6 59.390 -0.976 -6.343 41 HD2 PRO 6 2HD PRO 6 57.717 1.094 -5.665 42 HD3 PRO 6 3HD PRO 6 57.766 0.395 -7.312 43 H GLY 7 H GLY 7 55.634 -3.784 -4.333 44 HA2 GLY 7 1HA GLY 7 55.928 -4.127 -1.920 45 HA3 GLY 7 2HA GLY 7 55.450 -2.450 -1.646 46 H LEU 8 H LEU 8 53.453 -3.312 -3.984 47 HA LEU 8 HA LEU 8 51.409 -4.885 -2.672 48 HB2 LEU 8 2HB LEU 8 49.753 -3.191 -2.584 49 HB3 LEU 8 3HB LEU 8 51.122 -2.586 -1.668 50 HG LEU 8 HG LEU 8 50.228 -1.722 -4.459 51 HD11 LEU 8 1HD1 LEU 8 48.838 -0.865 -2.613 52 HD12 LEU 8 2HD1 LEU 8 49.769 0.427 -3.371 53 HD13 LEU 8 3HD1 LEU 8 50.298 -0.225 -1.808 54 HD21 LEU 8 3HD2 LEU 8 51.927 0.137 -4.218 55 HD22 LEU 8 1HD2 LEU 8 52.643 -1.443 -4.450 56 HD23 LEU 8 2HD2 LEU 8 52.616 -0.726 -2.823 57 H VAL 9 H VAL 9 49.459 -4.937 -4.141 58 HA VAL 9 HA VAL 9 49.958 -3.972 -6.899 59 HB VAL 9 HB VAL 9 50.349 -6.388 -6.752 60 HG11 VAL 9 1HG1 VAL 9 48.708 -6.984 -5.010 61 HG12 VAL 9 2HG1 VAL 9 47.380 -6.650 -6.154 62 HG13 VAL 9 3HG1 VAL 9 48.518 -7.972 -6.467 63 HG21 VAL 9 3HG2 VAL 9 47.947 -5.756 -8.483 64 HG22 VAL 9 1HG2 VAL 9 49.633 -5.343 -8.875 65 HG23 VAL 9 2HG2 VAL 9 49.151 -7.042 -8.724 66 H ASP 10 H ASP 10 47.836 -4.230 -4.302 67 HA ASP 10 HA ASP 10 46.043 -2.309 -5.523 68 HB2 ASP 10 2HB ASP 10 44.985 -5.047 -4.688 69 HB3 ASP 10 3HB ASP 10 43.963 -3.617 -4.700 70 H SER 11 H SER 11 46.261 -4.591 -2.799 71 HA SER 11 HA SER 11 46.154 -4.508 -0.586 72 HB2 SER 11 2HB SER 11 48.142 -2.773 -1.279 73 HB3 SER 11 3HB SER 11 47.197 -1.768 -0.171 74 HG SER 11 HG SER 11 48.889 -3.277 0.740 75 H ASN 12 H ASN 12 43.720 -3.733 -1.800 76 HA ASN 12 HA ASN 12 42.412 -1.630 -0.437 77 HB2 ASN 12 2HB ASN 12 41.444 -4.066 -1.943 78 HB3 ASN 12 3HB ASN 12 40.298 -2.996 -1.199 79 HD21 ASN 12 1HD2 ASN 12 41.861 -0.491 -1.699 80 HD22 ASN 12 2HD2 ASN 12 41.698 -0.260 -3.401 81 HA PRO 13 HA PRO 13 41.424 -3.212 3.452 82 HB2 PRO 13 2HB PRO 13 39.443 -1.519 4.242 83 HB3 PRO 13 3HB PRO 13 41.056 -0.930 3.743 84 HG2 PRO 13 2HG PRO 13 38.477 -0.768 2.242 85 HG3 PRO 13 3HG PRO 13 39.922 0.281 2.147 86 HD2 PRO 13 2HD PRO 13 39.191 -2.000 0.498 87 HD3 PRO 13 3HD PRO 13 40.585 -0.952 0.281 88 H ALA 14 H ALA 14 40.574 -5.115 4.069 89 HA ALA 14 HA ALA 14 37.645 -5.529 4.029 90 HB1 ALA 14 1HB ALA 14 39.625 -7.447 2.761 91 HB2 ALA 14 2HB ALA 14 37.871 -7.723 2.996 92 HB3 ALA 14 3HB ALA 14 38.452 -6.417 1.920 93 HA PRO 15 HA PRO 15 40.010 -6.101 7.891 94 HB2 PRO 15 2HB PRO 15 38.160 -5.102 9.677 95 HB3 PRO 15 3HB PRO 15 38.991 -4.079 8.475 96 HG2 PRO 15 2HG PRO 15 36.257 -5.385 8.266 97 HG3 PRO 15 3HG PRO 15 36.672 -3.654 8.030 98 HD2 PRO 15 2HD PRO 15 36.480 -5.378 5.943 99 HD3 PRO 15 3HD PRO 15 37.726 -4.091 5.970 100 HA PRO 16 HA PRO 16 38.212 -9.630 10.259 101 HB2 PRO 16 2HB PRO 16 38.701 -9.051 12.893 102 HB3 PRO 16 3HB PRO 16 39.958 -9.514 11.708 103 HG2 PRO 16 2HG PRO 16 39.157 -6.698 12.524 104 HG3 PRO 16 3HG PRO 16 40.803 -7.420 12.546 105 HD2 PRO 16 2HD PRO 16 39.987 -5.948 10.446 106 HD3 PRO 16 3HD PRO 16 40.927 -7.427 10.184 107 H GLU 17 H GLU 17 36.484 -7.670 9.298 108 HA GLU 17 HA GLU 17 34.156 -8.414 10.880 109 HB2 GLU 17 2HB GLU 17 34.445 -6.089 11.577 110 HB3 GLU 17 3HB GLU 17 34.314 -5.717 9.860 111 HG2 GLU 17 2HG GLU 17 32.178 -7.373 10.475 112 HG3 GLU 17 3HG GLU 17 32.141 -6.030 11.636 113 H SER 18 H SER 18 32.901 -9.551 9.488 114 HA SER 18 HA SER 18 31.682 -8.161 7.478 115 HB2 SER 18 2HB SER 18 33.905 -9.598 6.427 116 HB3 SER 18 3HB SER 18 32.413 -10.022 5.614 117 HG SER 18 HG SER 18 33.379 -7.436 6.131 118 H GLN 19 H GLN 19 30.269 -9.621 6.057 119 HA GLN 19 HA GLN 19 28.562 -11.005 5.862 120 HB2 GLN 19 2HB GLN 19 30.728 -12.372 5.512 121 HB3 GLN 19 3HB GLN 19 30.232 -13.195 6.990 122 HG2 GLN 19 2HG GLN 19 27.956 -13.595 5.813 123 HG3 GLN 19 3HG GLN 19 28.724 -12.987 4.345 124 HE21 GLN 19 1HE2 GLN 19 30.930 -14.237 3.775 125 HE22 GLN 19 2HE2 GLN 19 30.844 -15.965 4.113 126 H GLU 20 H GLU 20 28.255 -9.569 8.257 127 HA GLU 20 HA GLU 20 26.570 -11.483 9.814 128 HB2 GLU 20 2HB GLU 20 28.079 -9.653 10.912 129 HB3 GLU 20 3HB GLU 20 26.792 -8.542 10.449 130 HG2 GLU 20 2HG GLU 20 25.181 -9.861 11.785 131 HG3 GLU 20 3HG GLU 20 26.387 -11.115 12.054 132 H LYS 21 H LYS 21 24.343 -10.166 10.356 133 HA LYS 21 HA LYS 21 23.054 -9.636 7.719 134 HB2 LYS 21 2HB LYS 21 21.403 -11.419 8.214 135 HB3 LYS 21 3HB LYS 21 23.048 -12.042 8.077 136 HG2 LYS 21 2HG LYS 21 23.154 -11.910 10.668 137 HG3 LYS 21 3HG LYS 21 21.412 -11.658 10.624 138 HD2 LYS 21 2HD LYS 21 22.851 -14.048 9.382 139 HD3 LYS 21 3HD LYS 21 22.234 -14.004 11.036 140 HE2 LYS 21 2HE LYS 21 19.938 -13.531 10.132 141 HE3 LYS 21 3HE LYS 21 20.577 -13.771 8.485 142 HZ1 LYS 21 3HZ LYS 21 21.180 -15.984 9.068 143 HZ2 LYS 21 1HZ LYS 21 19.602 -15.809 9.461 144 HZ3 LYS 21 2HZ LYS 21 20.724 -15.772 10.662 145 H LYS 22 H LYS 22 21.168 -8.479 7.783 146 HA LYS 22 HA LYS 22 20.316 -7.260 10.393 147 HB2 LYS 22 2HB LYS 22 21.364 -5.908 7.893 148 HB3 LYS 22 3HB LYS 22 20.301 -5.071 9.028 149 HG2 LYS 22 2HG LYS 22 21.849 -5.302 10.841 150 HG3 LYS 22 3HG LYS 22 22.939 -6.326 9.885 151 HD2 LYS 22 2HD LYS 22 23.563 -4.549 8.441 152 HD3 LYS 22 3HD LYS 22 22.201 -3.528 8.949 153 HE2 LYS 22 2HE LYS 22 23.139 -3.209 11.147 154 HE3 LYS 22 3HE LYS 22 24.461 -4.340 10.827 155 HZ1 LYS 22 3HZ LYS 22 24.096 -1.985 9.061 156 HZ2 LYS 22 1HZ LYS 22 25.463 -2.802 9.405 157 HZ3 LYS 22 2HZ LYS 22 24.809 -1.795 10.529 158 HA PRO 23 HA PRO 23 16.332 -7.960 8.134 159 HB2 PRO 23 2HB PRO 23 14.950 -8.872 10.327 160 HB3 PRO 23 3HB PRO 23 15.848 -9.944 9.208 161 HG2 PRO 23 2HG PRO 23 16.772 -8.827 11.874 162 HG3 PRO 23 3HG PRO 23 16.880 -10.515 11.272 163 HD2 PRO 23 2HD PRO 23 18.997 -8.816 11.129 164 HD3 PRO 23 3HD PRO 23 18.668 -9.993 9.833 165 H LEU 24 H LEU 24 14.589 -6.472 8.356 166 HA LEU 24 HA LEU 24 14.780 -4.462 10.537 167 HB2 LEU 24 2HB LEU 24 16.089 -3.951 8.250 168 HB3 LEU 24 3HB LEU 24 14.505 -3.375 7.752 169 HG LEU 24 HG LEU 24 16.081 -2.479 10.212 170 HD11 LEU 24 1HD1 LEU 24 16.387 -0.371 8.999 171 HD12 LEU 24 2HD1 LEU 24 15.507 -1.025 7.603 172 HD13 LEU 24 3HD1 LEU 24 17.077 -1.726 8.085 173 HD21 LEU 24 3HD2 LEU 24 13.723 -2.205 10.693 174 HD22 LEU 24 1HD2 LEU 24 13.441 -1.425 9.107 175 HD23 LEU 24 2HD2 LEU 24 14.421 -0.625 10.359 176 H LYS 25 H LYS 25 12.946 -4.826 11.469 177 HA LYS 25 HA LYS 25 10.346 -4.747 10.014 178 HB2 LYS 25 2HB LYS 25 11.345 -7.069 10.056 179 HB3 LYS 25 3HB LYS 25 11.231 -7.048 11.814 180 HG2 LYS 25 2HG LYS 25 8.754 -6.822 11.637 181 HG3 LYS 25 3HG LYS 25 8.911 -6.731 9.865 182 HD2 LYS 25 2HD LYS 25 9.933 -9.018 9.865 183 HD3 LYS 25 3HD LYS 25 9.728 -9.098 11.615 184 HE2 LYS 25 2HE LYS 25 7.989 -10.368 10.468 185 HE3 LYS 25 3HE LYS 25 7.283 -9.029 11.381 186 HZ1 LYS 25 3HZ LYS 25 6.946 -7.824 9.404 187 HZ2 LYS 25 1HZ LYS 25 6.458 -9.345 9.010 188 HZ3 LYS 25 2HZ LYS 25 7.919 -8.748 8.495 189 HA PRO 26 HA PRO 26 10.262 -2.639 14.167 190 HB2 PRO 26 2HB PRO 26 9.352 -0.179 13.462 191 HB3 PRO 26 3HB PRO 26 11.061 -0.657 13.252 192 HG2 PRO 26 2HG PRO 26 8.848 -0.692 11.180 193 HG3 PRO 26 3HG PRO 26 10.493 0.000 11.020 194 HD2 PRO 26 2HD PRO 26 9.854 -2.506 10.104 195 HD3 PRO 26 3HD PRO 26 11.467 -2.125 10.776 196 H CYS 27 H CYS 27 8.546 -2.207 15.497 197 HA CYS 27 HA CYS 27 6.102 -3.592 14.987 198 HB2 CYS 27 2HB CYS 27 7.492 -3.223 17.156 199 HB3 CYS 27 3HB CYS 27 6.663 -1.665 17.279 200 HG CYS 27 HG CYS 27 5.460 -4.771 17.257 201 H CYS 28 H CYS 28 6.791 -0.557 13.833 202 HA CYS 28 HA CYS 28 3.946 0.337 13.887 203 HB2 CYS 28 2HB CYS 28 4.889 2.662 14.026 204 HB3 CYS 28 3HB CYS 28 5.174 1.693 15.475 205 HG CYS 28 HG CYS 28 7.615 1.343 15.284 206 H ALA 29 H ALA 29 5.858 -1.020 11.716 207 HA ALA 29 HA ALA 29 5.593 0.936 9.559 208 HB1 ALA 29 1HB ALA 29 7.381 -0.684 9.399 209 HB2 ALA 29 2HB ALA 29 6.199 -2.027 9.429 210 HB3 ALA 29 3HB ALA 29 6.214 -0.881 8.070 211 H CYS 30 H CYS 30 3.352 1.359 10.210 212 HA CYS 30 HA CYS 30 1.070 1.261 9.796 213 HB2 CYS 30 2HB CYS 30 2.273 0.928 7.123 214 HB3 CYS 30 3HB CYS 30 0.764 1.714 7.543 215 HA PRO 31 HA PRO 31 0.261 -3.479 9.020 216 HB2 PRO 31 2HB PRO 31 -1.527 -3.486 11.130 217 HB3 PRO 31 3HB PRO 31 0.193 -3.960 11.298 218 HG2 PRO 31 2HG PRO 31 -1.122 -1.322 11.992 219 HG3 PRO 31 3HG PRO 31 0.114 -2.232 12.922 220 HD2 PRO 31 2HD PRO 31 0.778 -0.090 11.308 221 HD3 PRO 31 3HD PRO 31 1.855 -1.495 11.485 222 H GLU 32 H GLU 32 -2.213 -0.945 10.035 223 HA GLU 32 HA GLU 32 -4.140 -2.013 8.288 224 HB2 GLU 32 2HB GLU 32 -4.786 0.507 7.856 225 HB3 GLU 32 3HB GLU 32 -5.116 -0.277 9.339 226 HG2 GLU 32 2HG GLU 32 -3.182 0.837 10.423 227 HG3 GLU 32 3HG GLU 32 -2.728 1.543 8.860 228 H THR 33 H THR 33 -1.488 0.270 7.374 229 HA THR 33 HA THR 33 -2.834 0.488 4.857 230 HB THR 33 HB THR 33 -1.123 1.949 4.065 231 HG1 THR 33 1HG THR 33 0.690 2.359 5.354 232 HG21 THR 33 1HG2 THR 33 -1.247 3.695 5.634 233 HG22 THR 33 2HG2 THR 33 -1.351 2.560 7.005 234 HG23 THR 33 3HG2 THR 33 -2.710 2.737 5.879 235 H LYS 34 H LYS 34 0.102 -1.294 5.858 236 HA LYS 34 HA LYS 34 0.706 -2.578 3.308 237 HB2 LYS 34 2HB LYS 34 2.213 -2.559 5.354 238 HB3 LYS 34 3HB LYS 34 1.001 -3.320 6.311 239 HG2 LYS 34 2HG LYS 34 2.496 -4.754 4.081 240 HG3 LYS 34 3HG LYS 34 2.866 -4.716 5.817 241 HD2 LYS 34 2HD LYS 34 0.701 -5.741 6.341 242 HD3 LYS 34 3HD LYS 34 0.458 -6.051 4.610 243 HE2 LYS 34 2HE LYS 34 2.775 -7.137 6.216 244 HE3 LYS 34 3HE LYS 34 1.221 -7.939 5.982 245 HZ1 LYS 34 3HZ LYS 34 2.211 -8.799 4.133 246 HZ2 LYS 34 1HZ LYS 34 3.324 -7.572 3.987 247 HZ3 LYS 34 2HZ LYS 34 1.794 -7.412 3.458 248 H LYS 35 H LYS 35 -0.867 -4.002 6.123 249 HA LYS 35 HA LYS 35 -1.878 -6.330 5.062 250 HB2 LYS 35 2HB LYS 35 -1.745 -5.397 7.380 251 HB3 LYS 35 3HB LYS 35 -3.263 -4.669 7.203 252 HG2 LYS 35 2HG LYS 35 -4.270 -6.665 7.698 253 HG3 LYS 35 3HG LYS 35 -3.472 -7.433 6.323 254 HD2 LYS 35 2HD LYS 35 -2.148 -7.062 9.017 255 HD3 LYS 35 3HD LYS 35 -3.048 -8.516 8.551 256 HE2 LYS 35 2HE LYS 35 -1.488 -8.912 6.689 257 HE3 LYS 35 3HE LYS 35 -0.601 -7.438 7.108 258 HZ1 LYS 35 3HZ LYS 35 -0.802 -9.881 8.825 259 HZ2 LYS 35 1HZ LYS 35 -0.016 -8.485 9.248 260 HZ3 LYS 35 2HZ LYS 35 0.513 -9.378 8.009 261 H ALA 36 H ALA 36 -3.622 -3.258 5.191 262 HA ALA 36 HA ALA 36 -5.833 -4.206 3.550 263 HB1 ALA 36 1HB ALA 36 -6.639 -1.948 3.487 264 HB2 ALA 36 2HB ALA 36 -6.044 -2.281 5.125 265 HB3 ALA 36 3HB ALA 36 -5.071 -1.288 3.992 266 H ARG 37 H ARG 37 -2.829 -2.383 2.598 267 HA ARG 37 HA ARG 37 -3.340 -1.911 -0.208 268 HB2 ARG 37 2HB ARG 37 -0.876 -1.694 1.170 269 HB3 ARG 37 3HB ARG 37 -0.690 -3.268 0.702 270 HG2 ARG 37 2HG ARG 37 -1.641 -1.961 -1.521 271 HG3 ARG 37 3HG ARG 37 -0.654 -0.746 -0.740 272 HD2 ARG 37 2HD ARG 37 0.011 -2.719 -2.657 273 HD3 ARG 37 3HD ARG 37 0.845 -1.587 -1.820 274 HE ARG 37 HE ARG 37 0.611 -4.100 -0.513 275 HH11 ARG 37 1HH1 ARG 37 2.769 -1.624 -1.796 276 HH12 ARG 37 2HH1 ARG 37 4.225 -2.334 -1.129 277 HH21 ARG 37 1HH2 ARG 37 2.415 -4.958 0.272 278 HH22 ARG 37 2HH2 ARG 37 4.026 -4.265 0.024 279 H ASP 38 H ASP 38 -2.029 -4.675 1.381 280 HA ASP 38 HA ASP 38 -1.250 -5.799 -0.980 281 HB2 ASP 38 2HB ASP 38 -1.622 -6.592 1.940 282 HB3 ASP 38 3HB ASP 38 -1.156 -7.896 0.839 283 H ALA 39 H ALA 39 -4.016 -6.456 1.182 284 HA ALA 39 HA ALA 39 -5.448 -8.559 0.138 285 HB1 ALA 39 1HB ALA 39 -5.920 -7.193 2.198 286 HB2 ALA 39 2HB ALA 39 -6.496 -5.883 1.123 287 HB3 ALA 39 3HB ALA 39 -7.363 -7.432 1.174 288 H CYS 40 H CYS 40 -5.417 -5.202 -1.221 289 HA CYS 40 HA CYS 40 -7.502 -5.778 -3.161 290 HB2 CYS 40 2HB CYS 40 -6.712 -3.557 -2.197 291 HB3 CYS 40 3HB CYS 40 -5.258 -3.761 -3.121 292 H ILE 41 H ILE 41 -3.944 -5.653 -3.268 293 HA ILE 41 HA ILE 41 -3.463 -6.266 -6.009 294 HB ILE 41 HB ILE 41 -1.749 -6.584 -3.547 295 HG12 ILE 41 2HG1 ILE 41 -0.466 -4.783 -4.911 296 HG13 ILE 41 3HG1 ILE 41 -1.900 -4.512 -5.783 297 HG21 ILE 41 1HG2 ILE 41 0.158 -6.915 -5.137 298 HG22 ILE 41 2HG2 ILE 41 -0.947 -8.280 -5.039 299 HG23 ILE 41 3HG2 ILE 41 -1.031 -7.176 -6.435 300 HD11 ILE 41 3HD1 ILE 41 -3.082 -3.886 -3.740 301 HD12 ILE 41 1HD1 ILE 41 -1.580 -4.206 -2.832 302 HD13 ILE 41 2HD1 ILE 41 -1.659 -2.899 -4.044 303 H ILE 42 H ILE 42 -3.898 -8.322 -3.185 304 HA ILE 42 HA ILE 42 -3.439 -10.929 -4.152 305 HB ILE 42 HB ILE 42 -5.087 -9.580 -2.016 306 HG12 ILE 42 2HG1 ILE 42 -2.677 -11.451 -2.046 307 HG13 ILE 42 3HG1 ILE 42 -2.630 -9.705 -1.750 308 HG21 ILE 42 1HG2 ILE 42 -5.803 -11.664 -1.001 309 HG22 ILE 42 2HG2 ILE 42 -6.578 -11.313 -2.539 310 HG23 ILE 42 3HG2 ILE 42 -5.271 -12.547 -2.452 311 HD11 ILE 42 3HD1 ILE 42 -3.789 -11.845 0.087 312 HD12 ILE 42 1HD1 ILE 42 -2.333 -10.873 0.328 313 HD13 ILE 42 2HD1 ILE 42 -3.924 -10.094 0.375 314 H GLU 43 H GLU 43 -6.230 -8.859 -4.688 315 HA GLU 43 HA GLU 43 -7.924 -11.078 -5.544 316 HB2 GLU 43 2HB GLU 43 -7.991 -8.940 -3.785 317 HB3 GLU 43 3HB GLU 43 -8.820 -8.252 -5.109 318 HG2 GLU 43 2HG GLU 43 -9.543 -10.962 -3.924 319 HG3 GLU 43 3HG GLU 43 -9.888 -9.399 -3.189 320 H LYS 44 H LYS 44 -6.980 -7.797 -6.500 321 HA LYS 44 HA LYS 44 -7.699 -8.323 -9.375 322 HB2 LYS 44 2HB LYS 44 -7.205 -5.659 -8.017 323 HB3 LYS 44 3HB LYS 44 -7.875 -6.006 -9.628 324 HG2 LYS 44 2HG LYS 44 -9.700 -7.355 -8.375 325 HG3 LYS 44 3HG LYS 44 -9.150 -6.528 -6.910 326 HD2 LYS 44 2HD LYS 44 -9.614 -4.384 -7.757 327 HD3 LYS 44 3HD LYS 44 -9.790 -4.966 -9.429 328 HE2 LYS 44 2HE LYS 44 -11.764 -6.285 -8.837 329 HE3 LYS 44 3HE LYS 44 -11.620 -5.786 -7.145 330 HZ1 LYS 44 3HZ LYS 44 -13.267 -4.448 -8.486 331 HZ2 LYS 44 1HZ LYS 44 -12.001 -3.788 -9.329 332 HZ3 LYS 44 2HZ LYS 44 -12.172 -3.613 -7.680 333 H GLY 45 H GLY 45 -5.128 -6.717 -7.568 334 HA2 GLY 45 1HA GLY 45 -2.747 -7.412 -8.343 335 HA3 GLY 45 2HA GLY 45 -3.280 -6.944 -9.953 336 H GLU 46 H GLU 46 -1.074 -5.656 -9.109 337 HA GLU 46 HA GLU 46 -1.504 -3.254 -7.482 338 HB2 GLU 46 2HB GLU 46 0.646 -4.141 -9.478 339 HB3 GLU 46 3HB GLU 46 0.775 -2.688 -8.491 340 HG2 GLU 46 2HG GLU 46 0.926 -3.940 -6.466 341 HG3 GLU 46 3HG GLU 46 0.385 -5.430 -7.238 342 H GLU 47 H GLU 47 -1.440 -4.089 -10.893 343 HA GLU 47 HA GLU 47 -1.868 -1.586 -12.115 344 HB2 GLU 47 2HB GLU 47 -2.806 -2.944 -13.950 345 HB3 GLU 47 3HB GLU 47 -1.201 -3.361 -13.376 346 HG2 GLU 47 2HG GLU 47 -3.415 -4.941 -12.163 347 HG3 GLU 47 3HG GLU 47 -3.152 -5.133 -13.883 348 H HIS 48 H HIS 48 -3.976 -3.124 -9.936 349 HA HIS 48 HA HIS 48 -6.351 -1.553 -10.873 350 HB2 HIS 48 2HB HIS 48 -5.982 -4.398 -9.874 351 HB3 HIS 48 3HB HIS 48 -7.516 -3.599 -9.708 352 HD2 HIS 48 2HD HIS 48 -5.748 -5.758 -12.026 353 HE1 HIS 48 1HE HIS 48 -8.453 -3.645 -14.559 354 HE2 HIS 48 2HE HIS 48 -6.854 -5.615 -14.427 355 H CYS 49 H CYS 49 -4.030 -2.018 -8.509 356 HA CYS 49 HA CYS 49 -5.612 -0.881 -6.286 357 HB2 CYS 49 2HB CYS 49 -3.609 -3.142 -6.339 358 HB3 CYS 49 3HB CYS 49 -4.208 -2.533 -5.000 359 H GLY 50 H GLY 50 -3.478 0.403 -8.203 360 HA2 GLY 50 1HA GLY 50 -1.543 1.101 -6.101 361 HA3 GLY 50 2HA GLY 50 -1.282 1.481 -7.709 362 H HIS 51 H HIS 51 -4.544 2.306 -6.975 363 HA HIS 51 HA HIS 51 -4.094 4.846 -5.588 364 HB2 HIS 51 2HB HIS 51 -6.417 4.755 -5.063 365 HB3 HIS 51 3HB HIS 51 -6.228 4.301 -6.748 366 HD2 HIS 51 2HD HIS 51 -8.239 3.308 -3.897 367 HE1 HIS 51 1HE HIS 51 -7.756 -0.339 -6.027 368 HE2 HIS 51 2HE HIS 51 -9.154 0.892 -4.277 369 H LEU 52 H LEU 52 -4.694 1.442 -4.701 370 HA LEU 52 HA LEU 52 -4.309 1.920 -1.858 371 HB2 LEU 52 2HB LEU 52 -4.752 -0.497 -3.645 372 HB3 LEU 52 3HB LEU 52 -3.857 -0.929 -2.403 373 HG LEU 52 HG LEU 52 -6.656 -0.687 -2.661 374 HD11 LEU 52 1HD1 LEU 52 -5.242 -0.775 0.034 375 HD12 LEU 52 2HD1 LEU 52 -5.454 -2.173 -1.032 376 HD13 LEU 52 3HD1 LEU 52 -6.867 -1.382 -0.334 377 HD21 LEU 52 3HD2 LEU 52 -7.550 0.846 -1.088 378 HD22 LEU 52 1HD2 LEU 52 -6.530 1.756 -2.249 379 HD23 LEU 52 2HD2 LEU 52 -5.918 1.409 -0.629 380 H ILE 53 H ILE 53 -2.048 1.263 -4.405 381 HA ILE 53 HA ILE 53 0.101 0.894 -2.495 382 HB ILE 53 HB ILE 53 0.350 1.809 -5.362 383 HG12 ILE 53 2HG1 ILE 53 1.014 -0.935 -4.319 384 HG13 ILE 53 3HG1 ILE 53 -0.628 -0.629 -4.524 385 HG21 ILE 53 1HG2 ILE 53 2.696 1.005 -5.092 386 HG22 ILE 53 2HG2 ILE 53 2.365 2.307 -3.941 387 HG23 ILE 53 3HG2 ILE 53 2.334 0.597 -3.397 388 HD11 ILE 53 3HD1 ILE 53 0.106 -1.716 -6.495 389 HD12 ILE 53 1HD1 ILE 53 0.111 -0.020 -7.040 390 HD13 ILE 53 2HD1 ILE 53 1.616 -0.797 -6.546 391 H GLU 54 H GLU 54 -0.944 3.802 -4.350 392 HA GLU 54 HA GLU 54 0.987 5.632 -3.440 393 HB2 GLU 54 2HB GLU 54 -1.772 5.906 -4.633 394 HB3 GLU 54 3HB GLU 54 -0.868 7.291 -4.127 395 HG2 GLU 54 2HG GLU 54 0.056 5.246 -6.212 396 HG3 GLU 54 3HG GLU 54 -0.557 6.867 -6.556 397 H ALA 55 H ALA 55 -2.367 5.087 -2.262 398 HA ALA 55 HA ALA 55 -2.331 7.076 -0.313 399 HB1 ALA 55 1HB ALA 55 -4.374 5.925 -1.024 400 HB2 ALA 55 2HB ALA 55 -3.764 4.357 -0.467 401 HB3 ALA 55 3HB ALA 55 -4.180 5.635 0.710 402 H HIS 56 H HIS 56 -1.234 3.746 -0.260 403 HA HIS 56 HA HIS 56 -0.425 3.736 2.575 404 HB2 HIS 56 2HB HIS 56 -0.298 1.600 0.383 405 HB3 HIS 56 3HB HIS 56 0.190 1.376 2.112 406 HD2 HIS 56 2HD HIS 56 -2.400 -0.151 0.770 407 HE1 HIS 56 1HE HIS 56 -4.886 2.424 3.071 408 HE2 HIS 56 2HE HIS 56 -4.783 0.204 1.790 409 H LYS 57 H LYS 57 1.073 4.277 -0.491 410 HA LYS 57 HA LYS 57 3.722 3.936 0.047 411 HB2 LYS 57 2HB LYS 57 2.123 4.493 -2.003 412 HB3 LYS 57 3HB LYS 57 2.556 6.042 -1.885 413 HG2 LYS 57 2HG LYS 57 5.067 5.000 -2.016 414 HG3 LYS 57 3HG LYS 57 4.113 3.510 -2.295 415 HD2 LYS 57 2HD LYS 57 2.964 4.679 -4.187 416 HD3 LYS 57 3HD LYS 57 4.045 6.068 -3.977 417 HE2 LYS 57 2HE LYS 57 5.978 4.573 -4.536 418 HE3 LYS 57 3HE LYS 57 4.863 3.223 -4.696 419 HZ1 LYS 57 3HZ LYS 57 4.987 3.920 -6.847 420 HZ2 LYS 57 1HZ LYS 57 5.143 5.533 -6.478 421 HZ3 LYS 57 2HZ LYS 57 3.690 4.871 -6.360 422 H GLU 58 H GLU 58 1.781 6.912 0.356 423 HA GLU 58 HA GLU 58 3.912 8.428 1.526 424 HB2 GLU 58 2HB GLU 58 2.486 9.881 2.677 425 HB3 GLU 58 3HB GLU 58 2.018 9.684 0.991 426 HG2 GLU 58 2HG GLU 58 0.220 8.334 1.555 427 HG3 GLU 58 3HG GLU 58 0.670 8.163 3.259 428 H CYS 59 H CYS 59 1.805 6.098 3.056 429 HA CYS 59 HA CYS 59 2.727 6.455 5.731 430 HB2 CYS 59 2HB CYS 59 0.664 5.259 4.841 431 HB3 CYS 59 3HB CYS 59 1.611 3.813 4.616 432 H MET 60 H MET 60 4.046 4.490 3.093 433 HA MET 60 HA MET 60 6.231 3.390 4.703 434 HB2 MET 60 2HB MET 60 5.742 3.607 1.702 435 HB3 MET 60 3HB MET 60 7.173 2.856 2.415 436 HG2 MET 60 2HG MET 60 5.739 1.293 3.690 437 HG3 MET 60 3HG MET 60 4.298 2.038 3.001 438 HE1 MET 60 3HE MET 60 3.395 -0.312 2.444 439 HE2 MET 60 1HE MET 60 4.266 -1.531 1.484 440 HE3 MET 60 2HE MET 60 4.873 -1.062 3.087 441 H ARG 61 H ARG 61 5.988 6.187 2.431 442 HA ARG 61 HA ARG 61 8.698 7.084 2.729 443 HB2 ARG 61 2HB ARG 61 6.926 7.807 1.028 444 HB3 ARG 61 3HB ARG 61 6.151 8.753 2.302 445 HG2 ARG 61 2HG ARG 61 8.119 10.194 2.518 446 HG3 ARG 61 3HG ARG 61 9.013 9.151 1.389 447 HD2 ARG 61 2HD ARG 61 7.172 9.635 -0.324 448 HD3 ARG 61 3HD ARG 61 6.538 10.851 0.780 449 HE ARG 61 HE ARG 61 8.913 10.967 -0.939 450 HH11 ARG 61 1HH1 ARG 61 7.506 12.574 1.861 451 HH12 ARG 61 2HH1 ARG 61 8.208 14.115 1.347 452 HH21 ARG 61 1HH2 ARG 61 9.712 13.011 -1.435 453 HH22 ARG 61 2HH2 ARG 61 9.408 14.311 -0.288 454 H ALA 62 H ALA 62 5.912 7.813 4.733 455 HA ALA 62 HA ALA 62 6.922 9.766 6.389 456 HB1 ALA 62 1HB ALA 62 5.231 9.024 7.995 457 HB2 ALA 62 2HB ALA 62 4.590 8.850 6.348 458 HB3 ALA 62 3HB ALA 62 5.159 7.421 7.232 459 H LEU 63 H LEU 63 7.740 6.327 6.556 460 HA LEU 63 HA LEU 63 9.101 6.296 9.106 461 HB2 LEU 63 2HB LEU 63 9.433 4.679 6.553 462 HB3 LEU 63 3HB LEU 63 10.344 4.357 7.980 463 HG LEU 63 HG LEU 63 8.026 3.122 7.223 464 HD11 LEU 63 1HD1 LEU 63 9.744 2.297 8.802 465 HD12 LEU 63 2HD1 LEU 63 8.100 2.022 9.418 466 HD13 LEU 63 3HD1 LEU 63 9.081 3.356 10.064 467 HD21 LEU 63 3HD2 LEU 63 6.518 4.938 7.901 468 HD22 LEU 63 1HD2 LEU 63 7.201 4.911 9.542 469 HD23 LEU 63 2HD2 LEU 63 6.303 3.516 8.913 470 H GLY 64 H GLY 64 9.859 8.012 6.299 471 HA2 GLY 64 1HA GLY 64 11.676 9.120 5.548 472 HA3 GLY 64 2HA GLY 64 12.698 8.473 6.877 473 H PHE 65 H PHE 65 10.757 6.337 4.903 474 HA PHE 65 HA PHE 65 13.059 4.997 3.785 475 HB2 PHE 65 2HB PHE 65 10.111 4.801 3.129 476 HB3 PHE 65 3HB PHE 65 11.298 3.749 2.452 477 HD1 PHE 65 2HD PHE 65 12.637 3.904 5.645 478 HD2 PHE 65 1HD PHE 65 9.140 2.458 3.567 479 HE1 PHE 65 2HE PHE 65 12.382 2.116 7.307 480 HE2 PHE 65 1HE PHE 65 8.875 0.673 5.268 481 HZ PHE 65 HZ PHE 65 10.511 0.479 7.127 482 H LYS 66 H LYS 66 12.640 4.441 1.315 483 HA LYS 66 HA LYS 66 13.679 6.794 -0.059 484 HB2 LYS 66 2HB LYS 66 14.858 5.228 -1.423 485 HB3 LYS 66 3HB LYS 66 15.251 5.379 0.307 486 HG2 LYS 66 2HG LYS 66 13.799 3.333 0.760 487 HG3 LYS 66 3HG LYS 66 13.483 3.277 -0.977 488 HD2 LYS 66 2HD LYS 66 16.219 3.525 0.217 489 HD3 LYS 66 3HD LYS 66 15.418 1.938 0.319 490 HE2 LYS 66 2HE LYS 66 15.338 1.724 -2.098 491 HE3 LYS 66 3HE LYS 66 15.936 3.366 -2.332 492 HZ1 LYS 66 3HZ LYS 66 17.579 1.427 -2.519 493 HZ2 LYS 66 1HZ LYS 66 17.586 1.373 -0.879 494 HZ3 LYS 66 2HZ LYS 66 18.071 2.721 -1.650 495 H ILE 67 H ILE 67 11.053 6.110 0.056 496 HA ILE 67 HA ILE 67 9.864 5.844 -2.647 497 HB ILE 67 HB ILE 67 8.723 6.798 0.022 498 HG12 ILE 67 2HG1 ILE 67 7.477 4.812 0.280 499 HG13 ILE 67 3HG1 ILE 67 7.894 4.177 -1.313 500 HG21 ILE 67 1HG2 ILE 67 6.504 6.535 -1.116 501 HG22 ILE 67 2HG2 ILE 67 7.510 7.770 -1.865 502 HG23 ILE 67 3HG2 ILE 67 7.376 6.174 -2.643 503 HD11 ILE 67 3HD1 ILE 67 9.928 4.568 0.880 504 HD12 ILE 67 1HD1 ILE 67 9.027 3.052 0.643 505 HD13 ILE 67 2HD1 ILE 67 10.139 3.643 -0.613 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 12.399 -62.169 9.470 2 H2 GLY 1 H2 GLY 1 11.424 -63.254 8.689 3 H3 GLY 1 H3 GLY 1 12.153 -63.686 10.099 4 HA2 GLY 1 2HA GLY 1 9.771 -63.179 10.324 5 HA3 GLY 1 1HA GLY 1 10.848 -62.222 11.370 6 H SER 2 H SER 2 8.301 -61.233 10.778 7 HA SER 2 HA SER 2 9.077 -58.716 9.403 8 HB2 SER 2 2HB SER 2 6.522 -60.267 8.863 9 HB3 SER 2 3HB SER 2 6.697 -58.527 8.570 10 HG SER 2 HG SER 2 7.225 -59.469 6.695 11 H PHE 3 H PHE 3 9.114 -57.339 11.051 12 HA PHE 3 HA PHE 3 6.863 -57.083 12.912 13 HB2 PHE 3 2HB PHE 3 8.635 -58.823 13.763 14 HB3 PHE 3 3HB PHE 3 9.656 -57.412 14.047 15 HD1 PHE 3 2HD PHE 3 6.425 -59.084 14.865 16 HD2 PHE 3 1HD PHE 3 9.186 -55.953 15.956 17 HE1 PHE 3 2HE PHE 3 5.200 -58.750 16.997 18 HE2 PHE 3 1HE PHE 3 7.956 -55.614 18.086 19 HZ PHE 3 HZ PHE 3 5.962 -57.015 18.612 20 H THR 4 H THR 4 6.907 -55.042 14.044 21 HA THR 4 HA THR 4 8.171 -52.978 12.301 22 HB THR 4 HB THR 4 5.809 -52.758 12.846 23 HG1 THR 4 1HG THR 4 6.089 -50.561 13.734 24 HG21 THR 4 1HG2 THR 4 5.030 -52.033 15.048 25 HG22 THR 4 2HG2 THR 4 6.644 -52.251 15.750 26 HG23 THR 4 3HG2 THR 4 5.728 -53.640 15.163 27 H MET 5 H MET 5 9.294 -51.181 13.103 28 HA MET 5 HA MET 5 10.778 -51.288 15.599 29 HB2 MET 5 2HB MET 5 12.988 -51.432 14.446 30 HB3 MET 5 3HB MET 5 12.044 -52.908 14.293 31 HG2 MET 5 2HG MET 5 11.419 -52.307 12.000 32 HG3 MET 5 3HG MET 5 12.257 -50.757 12.141 33 HE1 MET 5 3HE MET 5 14.445 -52.762 9.575 34 HE2 MET 5 1HE MET 5 12.678 -52.845 9.763 35 HE3 MET 5 2HE MET 5 13.512 -51.270 9.863 36 HA PRO 6 HA PRO 6 10.922 -46.922 14.610 37 HB2 PRO 6 2HB PRO 6 12.938 -45.976 16.149 38 HB3 PRO 6 3HB PRO 6 11.412 -46.608 16.846 39 HG2 PRO 6 2HG PRO 6 14.043 -48.076 16.514 40 HG3 PRO 6 3HG PRO 6 13.016 -47.986 17.972 41 HD2 PRO 6 2HD PRO 6 12.912 -50.092 16.245 42 HD3 PRO 6 3HD PRO 6 11.443 -49.486 17.067 43 H GLY 7 H GLY 7 11.616 -47.732 12.336 44 HA2 GLY 7 1HA GLY 7 14.382 -47.255 11.592 45 HA3 GLY 7 2HA GLY 7 13.005 -47.413 10.474 46 H LEU 8 H LEU 8 11.851 -45.102 12.276 47 HA LEU 8 HA LEU 8 13.685 -42.925 12.134 48 HB2 LEU 8 2HB LEU 8 12.423 -41.389 10.880 49 HB3 LEU 8 3HB LEU 8 12.577 -42.795 9.854 50 HG LEU 8 HG LEU 8 10.086 -42.017 11.456 51 HD11 LEU 8 1HD1 LEU 8 10.599 -41.891 8.459 52 HD12 LEU 8 2HD1 LEU 8 10.679 -40.501 9.557 53 HD13 LEU 8 3HD1 LEU 8 9.146 -41.344 9.339 54 HD21 LEU 8 3HD2 LEU 8 10.532 -44.253 9.433 55 HD22 LEU 8 1HD2 LEU 8 8.933 -43.662 9.930 56 HD23 LEU 8 2HD2 LEU 8 9.994 -44.411 11.125 57 H VAL 9 H VAL 9 12.652 -41.020 13.308 58 HA VAL 9 HA VAL 9 10.624 -41.888 15.342 59 HB VAL 9 HB VAL 9 12.951 -41.439 16.126 60 HG11 VAL 9 1HG1 VAL 9 13.784 -39.163 16.330 61 HG12 VAL 9 2HG1 VAL 9 13.515 -39.540 14.625 62 HG13 VAL 9 3HG1 VAL 9 12.356 -38.518 15.500 63 HG21 VAL 9 3HG2 VAL 9 10.994 -41.274 17.640 64 HG22 VAL 9 1HG2 VAL 9 12.357 -40.237 18.111 65 HG23 VAL 9 2HG2 VAL 9 10.934 -39.524 17.333 66 H ASP 10 H ASP 10 11.081 -39.837 12.747 67 HA ASP 10 HA ASP 10 9.446 -37.581 13.417 68 HB2 ASP 10 2HB ASP 10 11.316 -38.073 11.565 69 HB3 ASP 10 3HB ASP 10 9.948 -38.531 10.574 70 H SER 11 H SER 11 7.595 -38.643 14.367 71 HA SER 11 HA SER 11 5.691 -39.936 12.457 72 HB2 SER 11 2HB SER 11 7.107 -41.433 13.979 73 HB3 SER 11 3HB SER 11 6.129 -40.812 15.325 74 HG SER 11 HG SER 11 5.212 -42.174 12.992 75 H ASN 12 H ASN 12 5.708 -37.134 13.709 76 HA ASN 12 HA ASN 12 3.320 -37.107 15.418 77 HB2 ASN 12 2HB ASN 12 5.220 -35.040 14.283 78 HB3 ASN 12 3HB ASN 12 3.740 -34.526 15.045 79 HD21 ASN 12 1HD2 ASN 12 3.216 -35.503 17.221 80 HD22 ASN 12 2HD2 ASN 12 4.596 -35.954 18.216 81 HA PRO 13 HA PRO 13 0.203 -36.393 12.466 82 HB2 PRO 13 2HB PRO 13 -1.176 -34.229 13.851 83 HB3 PRO 13 3HB PRO 13 -1.622 -35.963 13.822 84 HG2 PRO 13 2HG PRO 13 -0.696 -34.638 16.102 85 HG3 PRO 13 3HG PRO 13 -0.514 -36.399 15.813 86 HD2 PRO 13 2HD PRO 13 1.459 -34.178 15.218 87 HD3 PRO 13 3HD PRO 13 1.780 -35.699 16.050 88 H ALA 14 H ALA 14 -0.027 -35.211 10.641 89 HA ALA 14 HA ALA 14 -0.023 -33.535 9.131 90 HB1 ALA 14 1HB ALA 14 0.786 -31.546 11.261 91 HB2 ALA 14 2HB ALA 14 -0.236 -31.276 9.843 92 HB3 ALA 14 3HB ALA 14 -0.841 -32.234 11.221 93 HA PRO 15 HA PRO 15 4.292 -33.088 7.936 94 HB2 PRO 15 2HB PRO 15 4.289 -30.904 6.251 95 HB3 PRO 15 3HB PRO 15 3.641 -32.510 5.798 96 HG2 PRO 15 2HG PRO 15 2.112 -30.106 6.838 97 HG3 PRO 15 3HG PRO 15 1.725 -31.138 5.418 98 HD2 PRO 15 2HD PRO 15 0.528 -31.506 7.823 99 HD3 PRO 15 3HD PRO 15 0.974 -32.903 6.797 100 HA PRO 16 HA PRO 16 5.945 -30.255 10.862 101 HB2 PRO 16 2HB PRO 16 8.587 -30.093 10.220 102 HB3 PRO 16 3HB PRO 16 7.784 -31.619 10.664 103 HG2 PRO 16 2HG PRO 16 8.288 -30.563 7.858 104 HG3 PRO 16 3HG PRO 16 8.743 -32.165 8.525 105 HD2 PRO 16 2HD PRO 16 6.439 -31.809 7.120 106 HD3 PRO 16 3HD PRO 16 6.510 -32.915 8.527 107 H GLU 17 H GLU 17 4.417 -28.699 9.518 108 HA GLU 17 HA GLU 17 5.760 -26.220 8.580 109 HB2 GLU 17 2HB GLU 17 3.097 -27.313 8.339 110 HB3 GLU 17 3HB GLU 17 3.065 -25.763 9.153 111 HG2 GLU 17 2HG GLU 17 4.419 -26.116 6.686 112 HG3 GLU 17 3HG GLU 17 2.737 -25.583 6.742 113 H SER 18 H SER 18 5.320 -24.203 9.628 114 HA SER 18 HA SER 18 3.776 -23.048 10.775 115 HB2 SER 18 2HB SER 18 2.683 -23.617 12.796 116 HB3 SER 18 3HB SER 18 2.794 -25.079 11.808 117 HG SER 18 HG SER 18 4.520 -25.761 13.038 118 H GLN 19 H GLN 19 4.076 -22.489 13.708 119 HA GLN 19 HA GLN 19 5.376 -21.516 15.271 120 HB2 GLN 19 2HB GLN 19 5.821 -23.869 15.105 121 HB3 GLN 19 3HB GLN 19 7.218 -23.562 14.100 122 HG2 GLN 19 2HG GLN 19 8.416 -22.628 16.002 123 HG3 GLN 19 3HG GLN 19 6.905 -22.481 16.927 124 HE21 GLN 19 1HE2 GLN 19 6.536 -24.131 18.420 125 HE22 GLN 19 2HE2 GLN 19 7.253 -25.724 18.259 126 H GLU 20 H GLU 20 5.725 -20.069 12.650 127 HA GLU 20 HA GLU 20 8.227 -18.753 12.551 128 HB2 GLU 20 2HB GLU 20 6.481 -18.791 10.801 129 HB3 GLU 20 3HB GLU 20 5.433 -17.778 11.792 130 HG2 GLU 20 2HG GLU 20 6.897 -15.872 11.527 131 HG3 GLU 20 3HG GLU 20 8.186 -16.885 10.871 132 H LYS 21 H LYS 21 8.564 -16.390 12.921 133 HA LYS 21 HA LYS 21 8.290 -15.256 15.532 134 HB2 LYS 21 2HB LYS 21 8.507 -14.093 12.715 135 HB3 LYS 21 3HB LYS 21 8.411 -13.051 14.107 136 HG2 LYS 21 2HG LYS 21 10.597 -15.138 13.886 137 HG3 LYS 21 3HG LYS 21 10.704 -13.556 13.102 138 HD2 LYS 21 2HD LYS 21 10.392 -12.433 15.329 139 HD3 LYS 21 3HD LYS 21 10.387 -14.032 16.090 140 HE2 LYS 21 2HE LYS 21 12.610 -13.191 16.333 141 HE3 LYS 21 3HE LYS 21 12.658 -14.463 15.123 142 HZ1 LYS 21 3HZ LYS 21 12.562 -12.593 13.414 143 HZ2 LYS 21 1HZ LYS 21 13.929 -12.709 14.285 144 HZ3 LYS 21 2HZ LYS 21 12.836 -11.524 14.637 145 H LYS 22 H LYS 22 6.691 -14.202 16.560 146 HA LYS 22 HA LYS 22 4.282 -13.280 15.080 147 HB2 LYS 22 2HB LYS 22 4.069 -15.668 15.862 148 HB3 LYS 22 3HB LYS 22 4.116 -15.089 17.524 149 HG2 LYS 22 2HG LYS 22 1.994 -14.013 17.303 150 HG3 LYS 22 3HG LYS 22 2.046 -14.067 15.527 151 HD2 LYS 22 2HD LYS 22 1.701 -16.418 15.468 152 HD3 LYS 22 3HD LYS 22 2.056 -16.622 17.180 153 HE2 LYS 22 2HE LYS 22 -0.382 -15.115 16.112 154 HE3 LYS 22 3HE LYS 22 -0.362 -16.822 16.578 155 HZ1 LYS 22 3HZ LYS 22 -1.078 -15.653 18.471 156 HZ2 LYS 22 1HZ LYS 22 0.086 -14.512 18.386 157 HZ3 LYS 22 2HZ LYS 22 0.467 -16.061 18.796 158 HA PRO 23 HA PRO 23 5.549 -10.676 18.869 159 HB2 PRO 23 2HB PRO 23 7.106 -8.653 17.923 160 HB3 PRO 23 3HB PRO 23 7.794 -10.270 18.279 161 HG2 PRO 23 2HG PRO 23 6.855 -9.214 15.586 162 HG3 PRO 23 3HG PRO 23 8.437 -9.974 15.988 163 HD2 PRO 23 2HD PRO 23 6.369 -11.417 14.935 164 HD3 PRO 23 3HD PRO 23 7.476 -12.094 16.167 165 H LEU 24 H LEU 24 4.753 -8.682 19.443 166 HA LEU 24 HA LEU 24 2.393 -7.684 18.477 167 HB2 LEU 24 2HB LEU 24 2.619 -5.994 20.133 168 HB3 LEU 24 3HB LEU 24 3.261 -7.484 20.775 169 HG LEU 24 HG LEU 24 5.056 -5.291 19.637 170 HD11 LEU 24 1HD1 LEU 24 4.156 -5.673 22.518 171 HD12 LEU 24 2HD1 LEU 24 3.724 -4.325 21.445 172 HD13 LEU 24 3HD1 LEU 24 5.401 -4.534 21.958 173 HD21 LEU 24 3HD2 LEU 24 6.260 -7.405 19.904 174 HD22 LEU 24 1HD2 LEU 24 5.602 -7.600 21.552 175 HD23 LEU 24 2HD2 LEU 24 6.742 -6.299 21.182 176 H LYS 25 H LYS 25 4.536 -7.398 16.288 177 HA LYS 25 HA LYS 25 5.309 -5.977 14.693 178 HB2 LYS 25 2HB LYS 25 2.809 -4.313 15.125 179 HB3 LYS 25 3HB LYS 25 3.759 -4.504 13.674 180 HG2 LYS 25 2HG LYS 25 1.914 -5.736 13.168 181 HG3 LYS 25 3HG LYS 25 3.046 -6.979 13.664 182 HD2 LYS 25 2HD LYS 25 0.737 -7.395 14.462 183 HD3 LYS 25 3HD LYS 25 1.862 -7.269 15.785 184 HE2 LYS 25 2HE LYS 25 -0.037 -6.064 16.508 185 HE3 LYS 25 3HE LYS 25 1.127 -4.826 16.067 186 HZ1 LYS 25 3HZ LYS 25 -0.955 -4.222 15.096 187 HZ2 LYS 25 1HZ LYS 25 -1.256 -5.737 14.529 188 HZ3 LYS 25 2HZ LYS 25 -0.091 -4.778 13.847 189 HA PRO 26 HA PRO 26 6.224 -2.758 18.084 190 HB2 PRO 26 2HB PRO 26 8.857 -3.259 18.775 191 HB3 PRO 26 3HB PRO 26 7.434 -4.103 19.461 192 HG2 PRO 26 2HG PRO 26 9.196 -5.000 17.156 193 HG3 PRO 26 3HG PRO 26 8.697 -5.941 18.602 194 HD2 PRO 26 2HD PRO 26 7.368 -6.205 16.261 195 HD3 PRO 26 3HD PRO 26 6.482 -6.152 17.813 196 H CYS 27 H CYS 27 7.506 -2.997 14.976 197 HA CYS 27 HA CYS 27 8.705 -0.255 15.161 198 HB2 CYS 27 2HB CYS 27 9.134 -2.345 12.983 199 HB3 CYS 27 3HB CYS 27 9.923 -0.771 13.130 200 HG CYS 27 HG CYS 27 11.041 -1.300 15.505 201 H CYS 28 H CYS 28 5.862 -1.590 14.627 202 HA CYS 28 HA CYS 28 3.995 -1.402 13.461 203 HB2 CYS 28 2HB CYS 28 4.915 1.495 13.238 204 HB3 CYS 28 3HB CYS 28 3.264 0.905 12.950 205 HG CYS 28 HG CYS 28 5.088 0.687 15.702 206 H ALA 29 H ALA 29 6.151 0.630 11.413 207 HA ALA 29 HA ALA 29 5.808 1.250 9.263 208 HB1 ALA 29 1HB ALA 29 5.979 -1.749 8.830 209 HB2 ALA 29 2HB ALA 29 6.321 -0.473 7.646 210 HB3 ALA 29 3HB ALA 29 7.373 -0.641 9.079 211 H CYS 30 H CYS 30 3.376 1.392 10.378 212 HA CYS 30 HA CYS 30 1.127 1.640 9.851 213 HB2 CYS 30 2HB CYS 30 2.301 1.512 7.130 214 HB3 CYS 30 3HB CYS 30 0.775 2.215 7.598 215 HA PRO 31 HA PRO 31 0.244 -3.133 9.031 216 HB2 PRO 31 2HB PRO 31 -1.509 -3.074 11.153 217 HB3 PRO 31 3HB PRO 31 0.215 -3.549 11.296 218 HG2 PRO 31 2HG PRO 31 -1.058 -0.855 11.905 219 HG3 PRO 31 3HG PRO 31 0.127 -1.777 12.894 220 HD2 PRO 31 2HD PRO 31 1.000 0.225 11.299 221 HD3 PRO 31 3HD PRO 31 1.883 -1.325 11.366 222 H GLU 32 H GLU 32 -2.134 -0.531 10.018 223 HA GLU 32 HA GLU 32 -4.202 -1.748 8.572 224 HB2 GLU 32 2HB GLU 32 -4.758 0.910 8.037 225 HB3 GLU 32 3HB GLU 32 -5.178 0.096 9.480 226 HG2 GLU 32 2HG GLU 32 -3.090 1.035 10.588 227 HG3 GLU 32 3HG GLU 32 -2.724 1.857 9.081 228 H THR 33 H THR 33 -1.935 0.634 7.378 229 HA THR 33 HA THR 33 -3.183 0.715 4.865 230 HB THR 33 HB THR 33 -1.277 2.109 4.156 231 HG1 THR 33 1HG THR 33 -0.015 0.942 6.332 232 HG21 THR 33 1HG2 THR 33 -1.344 3.860 5.709 233 HG22 THR 33 2HG2 THR 33 -1.706 2.769 7.064 234 HG23 THR 33 3HG2 THR 33 -2.923 3.078 5.803 235 H LYS 34 H LYS 34 -0.125 -0.918 5.852 236 HA LYS 34 HA LYS 34 0.541 -2.164 3.360 237 HB2 LYS 34 2HB LYS 34 2.011 -1.971 5.385 238 HB3 LYS 34 3HB LYS 34 0.890 -2.884 6.337 239 HG2 LYS 34 2HG LYS 34 2.679 -3.985 4.147 240 HG3 LYS 34 3HG LYS 34 2.815 -4.102 5.924 241 HD2 LYS 34 2HD LYS 34 0.705 -5.391 5.995 242 HD3 LYS 34 3HD LYS 34 0.784 -5.545 4.220 243 HE2 LYS 34 2HE LYS 34 2.937 -6.391 6.144 244 HE3 LYS 34 3HE LYS 34 1.610 -7.433 5.610 245 HZ1 LYS 34 3HZ LYS 34 3.643 -6.177 3.834 246 HZ2 LYS 34 1HZ LYS 34 2.373 -7.047 3.277 247 HZ3 LYS 34 2HZ LYS 34 3.565 -7.770 4.169 248 H LYS 35 H LYS 35 -0.963 -3.665 6.190 249 HA LYS 35 HA LYS 35 -1.643 -6.027 4.960 250 HB2 LYS 35 2HB LYS 35 -1.531 -5.216 7.383 251 HB3 LYS 35 3HB LYS 35 -3.133 -4.693 7.271 252 HG2 LYS 35 2HG LYS 35 -3.207 -6.800 8.338 253 HG3 LYS 35 3HG LYS 35 -3.839 -7.035 6.733 254 HD2 LYS 35 2HD LYS 35 -1.067 -7.857 7.708 255 HD3 LYS 35 3HD LYS 35 -2.467 -8.910 7.563 256 HE2 LYS 35 2HE LYS 35 -2.437 -8.403 5.043 257 HE3 LYS 35 3HE LYS 35 -0.835 -7.684 5.321 258 HZ1 LYS 35 3HZ LYS 35 -0.164 -9.831 6.308 259 HZ2 LYS 35 1HZ LYS 35 -0.530 -9.983 4.729 260 HZ3 LYS 35 2HZ LYS 35 -1.610 -10.490 5.859 261 H ALA 36 H ALA 36 -3.604 -3.205 5.157 262 HA ALA 36 HA ALA 36 -5.809 -4.234 3.502 263 HB1 ALA 36 1HB ALA 36 -6.504 -1.918 3.232 264 HB2 ALA 36 2HB ALA 36 -6.088 -2.227 4.925 265 HB3 ALA 36 3HB ALA 36 -4.959 -1.324 3.876 266 H ARG 37 H ARG 37 -2.873 -2.289 2.520 267 HA ARG 37 HA ARG 37 -3.320 -2.004 -0.283 268 HB2 ARG 37 2HB ARG 37 -1.016 -1.529 1.223 269 HB3 ARG 37 3HB ARG 37 -0.558 -3.041 0.727 270 HG2 ARG 37 2HG ARG 37 -1.695 -1.618 -1.500 271 HG3 ARG 37 3HG ARG 37 -0.537 -0.611 -0.702 272 HD2 ARG 37 2HD ARG 37 0.083 -2.098 -2.808 273 HD3 ARG 37 3HD ARG 37 1.029 -1.676 -1.451 274 HE ARG 37 HE ARG 37 0.325 -3.983 -0.598 275 HH11 ARG 37 1HH1 ARG 37 2.217 -3.010 -3.442 276 HH12 ARG 37 2HH1 ARG 37 3.714 -3.524 -2.690 277 HH21 ARG 37 1HH2 ARG 37 2.276 -4.739 0.140 278 HH22 ARG 37 2HH2 ARG 37 3.710 -4.671 -0.894 279 H ASP 38 H ASP 38 -1.659 -4.541 1.368 280 HA ASP 38 HA ASP 38 -0.891 -5.912 -0.834 281 HB2 ASP 38 2HB ASP 38 -1.322 -6.417 2.120 282 HB3 ASP 38 3HB ASP 38 -0.834 -7.834 1.135 283 H ALA 39 H ALA 39 -3.808 -6.368 1.235 284 HA ALA 39 HA ALA 39 -4.978 -8.676 0.141 285 HB1 ALA 39 1HB ALA 39 -7.012 -7.777 1.193 286 HB2 ALA 39 2HB ALA 39 -5.611 -7.439 2.251 287 HB3 ALA 39 3HB ALA 39 -6.298 -6.150 1.215 288 H CYS 40 H CYS 40 -5.302 -5.266 -1.073 289 HA CYS 40 HA CYS 40 -7.226 -6.028 -3.158 290 HB2 CYS 40 2HB CYS 40 -6.724 -3.721 -2.163 291 HB3 CYS 40 3HB CYS 40 -5.183 -3.784 -2.932 292 H ILE 41 H ILE 41 -3.691 -5.556 -3.026 293 HA ILE 41 HA ILE 41 -3.112 -6.050 -5.768 294 HB ILE 41 HB ILE 41 -1.422 -6.203 -3.268 295 HG12 ILE 41 2HG1 ILE 41 -0.256 -4.358 -4.684 296 HG13 ILE 41 3HG1 ILE 41 -1.614 -4.351 -5.681 297 HG21 ILE 41 1HG2 ILE 41 -0.559 -6.906 -6.102 298 HG22 ILE 41 2HG2 ILE 41 0.564 -6.487 -4.792 299 HG23 ILE 41 3HG2 ILE 41 -0.439 -7.925 -4.655 300 HD11 ILE 41 3HD1 ILE 41 -1.592 -3.711 -2.786 301 HD12 ILE 41 1HD1 ILE 41 -1.734 -2.548 -4.122 302 HD13 ILE 41 2HD1 ILE 41 -3.050 -3.679 -3.792 303 H ILE 42 H ILE 42 -3.303 -8.349 -3.061 304 HA ILE 42 HA ILE 42 -2.621 -10.790 -4.222 305 HB ILE 42 HB ILE 42 -4.612 -9.863 -2.133 306 HG12 ILE 42 2HG1 ILE 42 -2.070 -11.540 -2.050 307 HG13 ILE 42 3HG1 ILE 42 -2.151 -9.817 -1.671 308 HG21 ILE 42 1HG2 ILE 42 -4.361 -12.755 -2.973 309 HG22 ILE 42 2HG2 ILE 42 -5.120 -12.188 -1.468 310 HG23 ILE 42 3HG2 ILE 42 -5.812 -11.709 -3.006 311 HD11 ILE 42 3HD1 ILE 42 -2.030 -11.034 0.383 312 HD12 ILE 42 1HD1 ILE 42 -3.683 -10.408 0.259 313 HD13 ILE 42 2HD1 ILE 42 -3.344 -12.124 -0.072 314 H GLU 43 H GLU 43 -5.666 -9.049 -4.571 315 HA GLU 43 HA GLU 43 -7.056 -11.256 -5.838 316 HB2 GLU 43 2HB GLU 43 -7.440 -9.259 -3.908 317 HB3 GLU 43 3HB GLU 43 -8.319 -8.594 -5.200 318 HG2 GLU 43 2HG GLU 43 -8.690 -11.418 -4.104 319 HG3 GLU 43 3HG GLU 43 -9.372 -9.960 -3.419 320 H LYS 44 H LYS 44 -6.714 -7.732 -6.494 321 HA LYS 44 HA LYS 44 -7.370 -8.083 -9.378 322 HB2 LYS 44 2HB LYS 44 -6.933 -5.690 -7.521 323 HB3 LYS 44 3HB LYS 44 -7.218 -5.538 -9.237 324 HG2 LYS 44 2HG LYS 44 -9.210 -7.086 -7.588 325 HG3 LYS 44 3HG LYS 44 -9.238 -5.312 -7.614 326 HD2 LYS 44 2HD LYS 44 -9.459 -5.225 -9.986 327 HD3 LYS 44 3HD LYS 44 -9.151 -6.966 -10.158 328 HE2 LYS 44 2HE LYS 44 -11.187 -7.547 -9.033 329 HE3 LYS 44 3HE LYS 44 -11.473 -5.882 -8.520 330 HZ1 LYS 44 3HZ LYS 44 -11.921 -5.238 -10.819 331 HZ2 LYS 44 1HZ LYS 44 -12.878 -6.514 -10.448 332 HZ3 LYS 44 2HZ LYS 44 -11.547 -6.750 -11.367 333 H GLY 45 H GLY 45 -4.811 -6.424 -7.602 334 HA2 GLY 45 1HA GLY 45 -2.434 -7.178 -8.317 335 HA3 GLY 45 2HA GLY 45 -2.936 -6.696 -9.937 336 H GLU 46 H GLU 46 -0.690 -5.418 -8.857 337 HA GLU 46 HA GLU 46 -1.164 -3.082 -7.242 338 HB2 GLU 46 2HB GLU 46 0.942 -3.936 -9.287 339 HB3 GLU 46 3HB GLU 46 1.131 -2.486 -8.309 340 HG2 GLU 46 2HG GLU 46 1.475 -3.711 -6.325 341 HG3 GLU 46 3HG GLU 46 0.671 -5.148 -6.949 342 H GLU 47 H GLU 47 -0.975 -3.638 -10.735 343 HA GLU 47 HA GLU 47 -1.388 -1.008 -11.523 344 HB2 GLU 47 2HB GLU 47 -1.794 -1.947 -13.737 345 HB3 GLU 47 3HB GLU 47 -0.476 -2.770 -12.910 346 HG2 GLU 47 2HG GLU 47 -2.151 -4.596 -12.260 347 HG3 GLU 47 3HG GLU 47 -3.300 -3.798 -13.340 348 H HIS 48 H HIS 48 -3.699 -2.961 -9.957 349 HA HIS 48 HA HIS 48 -6.043 -1.493 -11.095 350 HB2 HIS 48 2HB HIS 48 -5.647 -4.310 -10.072 351 HB3 HIS 48 3HB HIS 48 -7.226 -3.551 -10.257 352 HD2 HIS 48 2HD HIS 48 -5.071 -5.810 -12.067 353 HE1 HIS 48 1HE HIS 48 -6.879 -3.585 -15.222 354 HE2 HIS 48 2HE HIS 48 -5.404 -5.597 -14.686 355 H CYS 49 H CYS 49 -3.958 -1.962 -8.532 356 HA CYS 49 HA CYS 49 -5.784 -0.989 -6.426 357 HB2 CYS 49 2HB CYS 49 -3.433 -2.893 -6.378 358 HB3 CYS 49 3HB CYS 49 -4.093 -2.321 -5.033 359 H GLY 50 H GLY 50 -3.568 0.480 -8.336 360 HA2 GLY 50 1HA GLY 50 -1.836 1.332 -6.156 361 HA3 GLY 50 2HA GLY 50 -1.617 1.906 -7.713 362 H HIS 51 H HIS 51 -4.947 2.386 -6.834 363 HA HIS 51 HA HIS 51 -4.670 4.839 -5.278 364 HB2 HIS 51 2HB HIS 51 -6.989 4.531 -4.748 365 HB3 HIS 51 3HB HIS 51 -6.736 4.223 -6.471 366 HD2 HIS 51 2HD HIS 51 -8.807 2.881 -3.848 367 HE1 HIS 51 1HE HIS 51 -7.804 -0.619 -6.066 368 HE2 HIS 51 2HE HIS 51 -9.423 0.357 -4.399 369 H LEU 52 H LEU 52 -4.970 1.382 -4.506 370 HA LEU 52 HA LEU 52 -4.482 1.785 -1.658 371 HB2 LEU 52 2HB LEU 52 -4.994 -0.540 -3.549 372 HB3 LEU 52 3HB LEU 52 -4.017 -1.014 -2.321 373 HG LEU 52 HG LEU 52 -6.830 -0.866 -2.504 374 HD11 LEU 52 1HD1 LEU 52 -6.951 -1.544 -0.152 375 HD12 LEU 52 2HD1 LEU 52 -5.298 -0.951 0.127 376 HD13 LEU 52 3HD1 LEU 52 -5.577 -2.323 -0.939 377 HD21 LEU 52 3HD2 LEU 52 -6.101 1.279 -0.484 378 HD22 LEU 52 1HD2 LEU 52 -7.723 0.668 -0.890 379 HD23 LEU 52 2HD2 LEU 52 -6.772 1.594 -2.082 380 H ILE 53 H ILE 53 -2.328 1.440 -4.396 381 HA ILE 53 HA ILE 53 -0.078 1.110 -2.541 382 HB ILE 53 HB ILE 53 -0.036 2.099 -5.421 383 HG12 ILE 53 2HG1 ILE 53 1.306 -0.380 -4.762 384 HG13 ILE 53 3HG1 ILE 53 -0.329 -0.521 -4.178 385 HG21 ILE 53 1HG2 ILE 53 1.862 2.976 -4.138 386 HG22 ILE 53 2HG2 ILE 53 2.178 1.355 -3.456 387 HG23 ILE 53 3HG2 ILE 53 2.408 1.676 -5.193 388 HD11 ILE 53 3HD1 ILE 53 0.340 0.273 -7.046 389 HD12 ILE 53 1HD1 ILE 53 0.474 -1.405 -6.492 390 HD13 ILE 53 2HD1 ILE 53 -1.085 -0.618 -6.415 391 H GLU 54 H GLU 54 -1.378 4.067 -4.262 392 HA GLU 54 HA GLU 54 0.596 5.805 -3.238 393 HB2 GLU 54 2HB GLU 54 -2.205 6.448 -4.186 394 HB3 GLU 54 3HB GLU 54 -0.954 7.616 -3.854 395 HG2 GLU 54 2HG GLU 54 -1.055 5.620 -6.127 396 HG3 GLU 54 3HG GLU 54 -1.056 7.360 -6.213 397 H ALA 55 H ALA 55 -2.747 5.187 -2.084 398 HA ALA 55 HA ALA 55 -2.770 7.093 -0.049 399 HB1 ALA 55 1HB ALA 55 -4.588 5.525 0.883 400 HB2 ALA 55 2HB ALA 55 -4.773 5.870 -0.844 401 HB3 ALA 55 3HB ALA 55 -4.093 4.313 -0.320 402 H HIS 56 H HIS 56 -1.517 3.810 -0.054 403 HA HIS 56 HA HIS 56 -0.700 3.852 2.760 404 HB2 HIS 56 2HB HIS 56 -0.426 1.713 0.631 405 HB3 HIS 56 3HB HIS 56 -0.069 1.558 2.315 406 HD2 HIS 56 2HD HIS 56 -2.578 -0.036 0.761 407 HE1 HIS 56 1HE HIS 56 -5.205 2.489 2.940 408 HE2 HIS 56 2HE HIS 56 -5.032 0.355 1.572 409 H LYS 57 H LYS 57 0.815 4.095 -0.392 410 HA LYS 57 HA LYS 57 3.459 3.884 0.048 411 HB2 LYS 57 2HB LYS 57 1.788 4.485 -1.933 412 HB3 LYS 57 3HB LYS 57 2.245 6.047 -1.764 413 HG2 LYS 57 2HG LYS 57 4.734 4.959 -1.994 414 HG3 LYS 57 3HG LYS 57 3.717 3.558 -2.475 415 HD2 LYS 57 2HD LYS 57 2.555 5.135 -4.107 416 HD3 LYS 57 3HD LYS 57 3.780 6.343 -3.731 417 HE2 LYS 57 2HE LYS 57 5.519 4.919 -4.752 418 HE3 LYS 57 3HE LYS 57 4.321 3.635 -4.987 419 HZ1 LYS 57 3HZ LYS 57 4.365 4.877 -7.050 420 HZ2 LYS 57 1HZ LYS 57 4.322 6.311 -6.278 421 HZ3 LYS 57 2HZ LYS 57 3.003 5.390 -6.320 422 H GLU 58 H GLU 58 1.504 6.797 0.507 423 HA GLU 58 HA GLU 58 3.694 8.371 1.498 424 HB2 GLU 58 2HB GLU 58 2.128 9.857 2.607 425 HB3 GLU 58 3HB GLU 58 1.777 9.577 0.895 426 HG2 GLU 58 2HG GLU 58 0.048 8.060 1.386 427 HG3 GLU 58 3HG GLU 58 0.374 8.043 3.122 428 H CYS 59 H CYS 59 1.635 6.119 3.176 429 HA CYS 59 HA CYS 59 2.494 6.694 5.835 430 HB2 CYS 59 2HB CYS 59 0.438 5.431 4.998 431 HB3 CYS 59 3HB CYS 59 1.389 3.974 4.904 432 H MET 60 H MET 60 3.716 4.191 3.489 433 HA MET 60 HA MET 60 6.005 3.493 5.137 434 HB2 MET 60 2HB MET 60 5.472 3.317 2.120 435 HB3 MET 60 3HB MET 60 6.966 2.808 2.875 436 HG2 MET 60 2HG MET 60 5.817 0.814 2.832 437 HG3 MET 60 3HG MET 60 5.482 1.385 4.460 438 HE1 MET 60 3HE MET 60 3.570 -0.698 4.142 439 HE2 MET 60 1HE MET 60 3.312 0.622 5.304 440 HE3 MET 60 2HE MET 60 1.979 0.092 4.266 441 H ARG 61 H ARG 61 5.703 6.069 2.526 442 HA ARG 61 HA ARG 61 8.493 6.676 2.540 443 HB2 ARG 61 2HB ARG 61 6.872 7.551 0.850 444 HB3 ARG 61 3HB ARG 61 6.140 8.582 2.079 445 HG2 ARG 61 2HG ARG 61 8.211 9.881 2.328 446 HG3 ARG 61 3HG ARG 61 9.060 8.776 1.218 447 HD2 ARG 61 2HD ARG 61 7.619 9.465 -0.621 448 HD3 ARG 61 3HD ARG 61 6.633 10.458 0.466 449 HE ARG 61 HE ARG 61 9.054 11.594 0.844 450 HH11 ARG 61 1HH1 ARG 61 7.462 10.775 -2.221 451 HH12 ARG 61 2HH1 ARG 61 8.097 12.227 -2.976 452 HH21 ARG 61 1HH2 ARG 61 9.860 13.377 -0.363 453 HH22 ARG 61 2HH2 ARG 61 9.370 13.502 -2.048 454 H ALA 62 H ALA 62 5.951 7.964 4.673 455 HA ALA 62 HA ALA 62 7.332 9.912 6.076 456 HB1 ALA 62 1HB ALA 62 5.373 7.877 7.196 457 HB2 ALA 62 2HB ALA 62 5.767 9.450 7.914 458 HB3 ALA 62 3HB ALA 62 4.935 9.370 6.339 459 H LEU 63 H LEU 63 7.751 6.449 6.442 460 HA LEU 63 HA LEU 63 9.299 6.365 8.873 461 HB2 LEU 63 2HB LEU 63 9.261 4.483 6.479 462 HB3 LEU 63 3HB LEU 63 9.788 4.108 8.074 463 HG LEU 63 HG LEU 63 6.963 4.741 7.125 464 HD11 LEU 63 1HD1 LEU 63 7.897 2.156 8.253 465 HD12 LEU 63 2HD1 LEU 63 7.602 2.564 6.528 466 HD13 LEU 63 3HD1 LEU 63 6.264 2.586 7.662 467 HD21 LEU 63 3HD2 LEU 63 7.200 5.593 9.410 468 HD22 LEU 63 1HD2 LEU 63 7.823 4.000 9.917 469 HD23 LEU 63 2HD2 LEU 63 6.131 4.190 9.328 470 H GLY 64 H GLY 64 10.182 7.628 5.904 471 HA2 GLY 64 1HA GLY 64 12.083 8.132 4.915 472 HA3 GLY 64 2HA GLY 64 13.090 7.495 6.226 473 H PHE 65 H PHE 65 10.635 5.619 4.541 474 HA PHE 65 HA PHE 65 12.544 3.705 3.441 475 HB2 PHE 65 2HB PHE 65 9.531 4.089 3.173 476 HB3 PHE 65 3HB PHE 65 10.323 2.812 2.399 477 HD1 PHE 65 1HD PHE 65 11.635 3.348 5.819 478 HD2 PHE 65 2HD PHE 65 8.579 1.452 3.416 479 HE1 PHE 65 1HE PHE 65 11.104 1.846 7.674 480 HE2 PHE 65 2HE PHE 65 7.983 0.017 5.322 481 HZ PHE 65 HZ PHE 65 9.179 0.306 7.488 482 H LYS 66 H LYS 66 11.775 2.912 1.181 483 HA LYS 66 HA LYS 66 13.439 4.585 -0.402 484 HB2 LYS 66 2HB LYS 66 12.546 1.766 -0.751 485 HB3 LYS 66 3HB LYS 66 13.867 2.538 -1.588 486 HG2 LYS 66 2HG LYS 66 14.246 2.989 1.289 487 HG3 LYS 66 3HG LYS 66 13.780 1.301 1.054 488 HD2 LYS 66 2HD LYS 66 15.619 1.372 -0.800 489 HD3 LYS 66 3HD LYS 66 15.958 2.992 -0.151 490 HE2 LYS 66 2HE LYS 66 16.474 1.917 2.092 491 HE3 LYS 66 3HE LYS 66 16.094 0.338 1.413 492 HZ1 LYS 66 3HZ LYS 66 18.433 2.015 0.894 493 HZ2 LYS 66 1HZ LYS 66 17.981 0.950 -0.247 494 HZ3 LYS 66 2HZ LYS 66 18.411 0.404 1.249 495 H ILE 67 H ILE 67 10.934 5.417 -0.300 496 HA ILE 67 HA ILE 67 9.308 4.819 -2.787 497 HB ILE 67 HB ILE 67 8.634 6.346 -0.237 498 HG12 ILE 67 2HG1 ILE 67 6.841 4.688 0.044 499 HG13 ILE 67 3HG1 ILE 67 7.254 3.867 -1.417 500 HG21 ILE 67 1HG2 ILE 67 7.448 7.504 -2.036 501 HG22 ILE 67 2HG2 ILE 67 6.888 5.975 -2.717 502 HG23 ILE 67 3HG2 ILE 67 6.270 6.529 -1.142 503 HD11 ILE 67 3HD1 ILE 67 7.966 2.745 0.714 504 HD12 ILE 67 1HD1 ILE 67 9.294 3.040 -0.393 505 HD13 ILE 67 2HD1 ILE 67 9.070 4.122 1.006 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 14.405 -28.259 -28.335 2 H2 GLY 1 H2 GLY 1 14.045 -26.789 -29.008 3 H3 GLY 1 H3 GLY 1 14.719 -26.874 -27.510 4 HA2 GLY 1 2HA GLY 1 16.077 -27.813 -29.944 5 HA3 GLY 1 1HA GLY 1 16.324 -26.210 -29.210 6 H SER 2 H SER 2 18.591 -26.843 -28.950 7 HA SER 2 HA SER 2 18.966 -27.915 -26.230 8 HB2 SER 2 2HB SER 2 19.380 -29.853 -27.740 9 HB3 SER 2 3HB SER 2 20.663 -28.926 -28.550 10 HG SER 2 HG SER 2 21.390 -30.343 -26.806 11 H PHE 3 H PHE 3 21.282 -27.544 -25.563 12 HA PHE 3 HA PHE 3 22.688 -26.022 -24.728 13 HB2 PHE 3 2HB PHE 3 23.375 -26.145 -27.287 14 HB3 PHE 3 3HB PHE 3 22.880 -24.461 -27.280 15 HD1 PHE 3 2HD PHE 3 24.967 -26.966 -25.411 16 HD2 PHE 3 1HD PHE 3 24.535 -22.835 -26.592 17 HE1 PHE 3 2HE PHE 3 27.188 -26.457 -24.438 18 HE2 PHE 3 1HE PHE 3 26.758 -22.334 -25.614 19 HZ PHE 3 HZ PHE 3 28.090 -24.139 -24.540 20 H THR 4 H THR 4 23.070 -23.254 -25.089 21 HA THR 4 HA THR 4 20.546 -22.162 -23.898 22 HB THR 4 HB THR 4 21.910 -21.134 -22.186 23 HG1 THR 4 1HG THR 4 24.132 -22.025 -22.093 24 HG21 THR 4 1HG2 THR 4 22.635 -24.088 -22.279 25 HG22 THR 4 2HG2 THR 4 21.059 -23.465 -21.755 26 HG23 THR 4 3HG2 THR 4 22.523 -23.044 -20.847 27 H MET 5 H MET 5 20.940 -19.716 -23.467 28 HA MET 5 HA MET 5 21.965 -18.395 -25.921 29 HB2 MET 5 2HB MET 5 19.760 -17.334 -26.226 30 HB3 MET 5 3HB MET 5 19.751 -19.063 -26.513 31 HG2 MET 5 2HG MET 5 18.880 -17.916 -23.841 32 HG3 MET 5 3HG MET 5 17.786 -17.963 -25.208 33 HE1 MET 5 3HE MET 5 16.777 -21.598 -25.642 34 HE2 MET 5 1HE MET 5 16.329 -19.893 -25.856 35 HE3 MET 5 2HE MET 5 17.778 -20.543 -26.662 36 HA PRO 6 HA PRO 6 22.565 -16.009 -21.833 37 HB2 PRO 6 2HB PRO 6 25.224 -15.403 -22.145 38 HB3 PRO 6 3HB PRO 6 24.608 -16.888 -21.363 39 HG2 PRO 6 2HG PRO 6 25.559 -16.546 -24.221 40 HG3 PRO 6 3HG PRO 6 25.977 -17.847 -23.062 41 HD2 PRO 6 2HD PRO 6 24.065 -18.204 -24.953 42 HD3 PRO 6 3HD PRO 6 23.856 -18.871 -23.308 43 H GLY 7 H GLY 7 23.903 -15.188 -25.075 44 HA2 GLY 7 1HA GLY 7 23.786 -13.276 -26.335 45 HA3 GLY 7 2HA GLY 7 22.499 -12.706 -25.269 46 H LEU 8 H LEU 8 23.777 -12.391 -22.887 47 HA LEU 8 HA LEU 8 26.296 -10.996 -22.978 48 HB2 LEU 8 2HB LEU 8 25.570 -8.874 -22.249 49 HB3 LEU 8 3HB LEU 8 24.766 -9.203 -23.771 50 HG LEU 8 HG LEU 8 23.489 -9.306 -20.987 51 HD11 LEU 8 1HD1 LEU 8 23.061 -7.355 -23.280 52 HD12 LEU 8 2HD1 LEU 8 24.062 -7.031 -21.854 53 HD13 LEU 8 3HD1 LEU 8 22.319 -7.294 -21.669 54 HD21 LEU 8 3HD2 LEU 8 22.249 -9.755 -23.731 55 HD22 LEU 8 1HD2 LEU 8 21.308 -9.364 -22.277 56 HD23 LEU 8 2HD2 LEU 8 22.234 -10.862 -22.337 57 H VAL 9 H VAL 9 26.174 -9.808 -20.409 58 HA VAL 9 HA VAL 9 25.199 -11.932 -18.604 59 HB VAL 9 HB VAL 9 27.329 -11.661 -17.426 60 HG11 VAL 9 1HG1 VAL 9 27.099 -13.447 -19.152 61 HG12 VAL 9 2HG1 VAL 9 27.851 -12.358 -20.336 62 HG13 VAL 9 3HG1 VAL 9 28.776 -12.908 -18.926 63 HG21 VAL 9 3HG2 VAL 9 28.304 -9.959 -19.746 64 HG22 VAL 9 1HG2 VAL 9 27.965 -9.377 -18.100 65 HG23 VAL 9 2HG2 VAL 9 29.258 -10.544 -18.366 66 H ASP 10 H ASP 10 24.945 -8.685 -19.301 67 HA ASP 10 HA ASP 10 25.661 -7.213 -17.161 68 HB2 ASP 10 2HB ASP 10 23.341 -6.804 -19.074 69 HB3 ASP 10 3HB ASP 10 23.866 -5.587 -17.913 70 H SER 11 H SER 11 22.605 -8.942 -17.309 71 HA SER 11 HA SER 11 21.154 -9.606 -15.694 72 HB2 SER 11 2HB SER 11 23.459 -8.959 -13.855 73 HB3 SER 11 3HB SER 11 22.072 -9.989 -13.450 74 HG SER 11 HG SER 11 23.996 -10.424 -15.507 75 H ASN 12 H ASN 12 20.647 -8.874 -13.041 76 HA ASN 12 HA ASN 12 19.592 -6.091 -13.226 77 HB2 ASN 12 2HB ASN 12 17.956 -8.638 -12.757 78 HB3 ASN 12 3HB ASN 12 17.355 -7.055 -12.357 79 HD21 ASN 12 1HD2 ASN 12 17.828 -5.361 -14.262 80 HD22 ASN 12 2HD2 ASN 12 17.545 -6.005 -15.841 81 HA PRO 13 HA PRO 13 20.772 -5.805 -9.109 82 HB2 PRO 13 2HB PRO 13 18.459 -4.269 -8.153 83 HB3 PRO 13 3HB PRO 13 20.078 -3.743 -8.490 84 HG2 PRO 13 2HG PRO 13 17.928 -3.029 -10.085 85 HG3 PRO 13 3HG PRO 13 19.563 -3.234 -10.696 86 HD2 PRO 13 2HD PRO 13 17.345 -5.256 -10.703 87 HD3 PRO 13 3HD PRO 13 18.416 -4.782 -12.118 88 H ALA 14 H ALA 14 20.608 -7.777 -8.478 89 HA ALA 14 HA ALA 14 18.739 -8.646 -6.347 90 HB1 ALA 14 1HB ALA 14 19.592 -10.329 -8.761 91 HB2 ALA 14 2HB ALA 14 18.613 -10.880 -7.372 92 HB3 ALA 14 3HB ALA 14 17.948 -9.633 -8.442 93 HA PRO 15 HA PRO 15 23.189 -9.331 -5.058 94 HB2 PRO 15 2HB PRO 15 23.060 -7.975 -2.659 95 HB3 PRO 15 3HB PRO 15 23.359 -7.168 -4.234 96 HG2 PRO 15 2HG PRO 15 20.756 -7.439 -2.725 97 HG3 PRO 15 3HG PRO 15 21.461 -5.960 -3.450 98 HD2 PRO 15 2HD PRO 15 19.553 -7.485 -4.689 99 HD3 PRO 15 3HD PRO 15 20.821 -6.627 -5.599 100 HA PRO 16 HA PRO 16 22.039 -12.637 -2.241 101 HB2 PRO 16 2HB PRO 16 24.122 -12.914 -0.494 102 HB3 PRO 16 3HB PRO 16 24.215 -13.202 -2.247 103 HG2 PRO 16 2HG PRO 16 24.961 -10.657 -0.792 104 HG3 PRO 16 3HG PRO 16 25.995 -11.630 -1.907 105 HD2 PRO 16 2HD PRO 16 24.599 -9.505 -2.814 106 HD3 PRO 16 3HD PRO 16 24.715 -10.989 -3.792 107 H GLU 17 H GLU 17 20.732 -10.193 -1.611 108 HA GLU 17 HA GLU 17 20.730 -9.746 1.248 109 HB2 GLU 17 2HB GLU 17 19.360 -7.991 0.808 110 HB3 GLU 17 3HB GLU 17 20.559 -7.974 -0.469 111 HG2 GLU 17 2HG GLU 17 18.909 -8.934 -2.021 112 HG3 GLU 17 3HG GLU 17 17.711 -9.039 -0.723 113 H SER 18 H SER 18 19.360 -12.209 -0.463 114 HA SER 18 HA SER 18 16.837 -12.330 1.152 115 HB2 SER 18 2HB SER 18 17.079 -11.684 -1.483 116 HB3 SER 18 3HB SER 18 16.772 -13.372 -1.661 117 HG SER 18 HG SER 18 14.772 -13.114 -0.764 118 H GLN 19 H GLN 19 19.437 -13.866 1.444 119 HA GLN 19 HA GLN 19 18.355 -16.572 0.991 120 HB2 GLN 19 2HB GLN 19 20.493 -17.344 0.242 121 HB3 GLN 19 3HB GLN 19 20.004 -15.928 -0.684 122 HG2 GLN 19 2HG GLN 19 21.529 -14.506 0.700 123 HG3 GLN 19 3HG GLN 19 22.032 -15.940 1.612 124 HE21 GLN 19 1HE2 GLN 19 23.536 -17.423 0.617 125 HE22 GLN 19 2HE2 GLN 19 24.234 -17.020 -0.967 126 H GLU 20 H GLU 20 18.900 -14.788 3.631 127 HA GLU 20 HA GLU 20 19.495 -17.133 5.291 128 HB2 GLU 20 2HB GLU 20 21.707 -16.146 5.027 129 HB3 GLU 20 3HB GLU 20 21.114 -14.567 5.557 130 HG2 GLU 20 2HG GLU 20 20.799 -15.305 7.792 131 HG3 GLU 20 3HG GLU 20 20.817 -17.009 7.330 132 H LYS 21 H LYS 21 19.017 -16.674 7.595 133 HA LYS 21 HA LYS 21 16.522 -15.185 8.010 134 HB2 LYS 21 2HB LYS 21 16.567 -16.212 10.230 135 HB3 LYS 21 3HB LYS 21 16.733 -17.397 8.938 136 HG2 LYS 21 2HG LYS 21 19.317 -17.218 9.400 137 HG3 LYS 21 3HG LYS 21 18.825 -16.454 10.917 138 HD2 LYS 21 2HD LYS 21 17.505 -18.487 11.493 139 HD3 LYS 21 3HD LYS 21 18.012 -19.232 9.953 140 HE2 LYS 21 2HE LYS 21 20.412 -18.917 10.634 141 HE3 LYS 21 3HE LYS 21 19.858 -18.258 12.179 142 HZ1 LYS 21 3HZ LYS 21 19.664 -21.056 11.245 143 HZ2 LYS 21 1HZ LYS 21 18.669 -20.508 12.438 144 HZ3 LYS 21 2HZ LYS 21 20.304 -20.458 12.613 145 H LYS 22 H LYS 22 16.538 -13.085 8.372 146 HA LYS 22 HA LYS 22 18.385 -11.929 10.361 147 HB2 LYS 22 2HB LYS 22 19.440 -11.739 8.066 148 HB3 LYS 22 3HB LYS 22 18.164 -10.595 7.634 149 HG2 LYS 22 2HG LYS 22 18.860 -9.085 9.441 150 HG3 LYS 22 3HG LYS 22 19.927 -10.330 10.112 151 HD2 LYS 22 2HD LYS 22 21.274 -10.238 7.961 152 HD3 LYS 22 3HD LYS 22 20.333 -8.796 7.510 153 HE2 LYS 22 2HE LYS 22 21.045 -7.674 9.595 154 HE3 LYS 22 3HE LYS 22 21.848 -9.154 10.143 155 HZ1 LYS 22 3HZ LYS 22 23.493 -7.762 9.296 156 HZ2 LYS 22 1HZ LYS 22 22.683 -7.423 7.884 157 HZ3 LYS 22 2HZ LYS 22 23.332 -8.903 8.153 158 HA PRO 23 HA PRO 23 13.953 -10.783 10.557 159 HB2 PRO 23 2HB PRO 23 13.377 -11.383 13.141 160 HB3 PRO 23 3HB PRO 23 13.681 -12.644 11.915 161 HG2 PRO 23 2HG PRO 23 15.670 -11.500 13.908 162 HG3 PRO 23 3HG PRO 23 15.286 -13.222 13.598 163 HD2 PRO 23 2HD PRO 23 17.396 -11.966 12.406 164 HD3 PRO 23 3HD PRO 23 16.444 -13.218 11.555 165 H LEU 24 H LEU 24 15.002 -8.565 10.111 166 HA LEU 24 HA LEU 24 14.542 -6.792 12.477 167 HB2 LEU 24 2HB LEU 24 16.926 -7.212 12.061 168 HB3 LEU 24 3HB LEU 24 16.797 -6.525 10.450 169 HG LEU 24 HG LEU 24 15.925 -4.875 12.843 170 HD11 LEU 24 1HD1 LEU 24 18.124 -5.780 13.474 171 HD12 LEU 24 2HD1 LEU 24 18.210 -4.046 13.154 172 HD13 LEU 24 3HD1 LEU 24 18.813 -5.205 11.937 173 HD21 LEU 24 3HD2 LEU 24 15.618 -3.883 10.594 174 HD22 LEU 24 1HD2 LEU 24 17.335 -4.159 10.230 175 HD23 LEU 24 2HD2 LEU 24 16.840 -3.002 11.496 176 H LYS 25 H LYS 25 12.736 -5.805 12.111 177 HA LYS 25 HA LYS 25 12.483 -3.904 9.892 178 HB2 LYS 25 2HB LYS 25 10.289 -5.923 10.597 179 HB3 LYS 25 3HB LYS 25 10.037 -4.465 9.636 180 HG2 LYS 25 2HG LYS 25 11.720 -5.354 7.964 181 HG3 LYS 25 3HG LYS 25 11.719 -6.880 8.875 182 HD2 LYS 25 2HD LYS 25 9.233 -7.038 8.533 183 HD3 LYS 25 3HD LYS 25 9.301 -5.551 7.565 184 HE2 LYS 25 2HE LYS 25 10.946 -6.694 6.032 185 HE3 LYS 25 3HE LYS 25 10.719 -8.184 6.951 186 HZ1 LYS 25 3HZ LYS 25 9.352 -8.104 4.974 187 HZ2 LYS 25 1HZ LYS 25 8.605 -6.733 5.456 188 HZ3 LYS 25 2HZ LYS 25 8.373 -8.143 6.303 189 HA PRO 26 HA PRO 26 10.937 -1.542 13.421 190 HB2 PRO 26 2HB PRO 26 9.338 0.343 12.167 191 HB3 PRO 26 3HB PRO 26 11.123 0.393 12.229 192 HG2 PRO 26 2HG PRO 26 9.356 -0.641 10.000 193 HG3 PRO 26 3HG PRO 26 10.787 0.424 9.875 194 HD2 PRO 26 2HD PRO 26 10.915 -2.250 9.402 195 HD3 PRO 26 3HD PRO 26 12.262 -1.383 10.194 196 H CYS 27 H CYS 27 8.885 -0.884 14.507 197 HA CYS 27 HA CYS 27 6.822 -2.994 14.190 198 HB2 CYS 27 2HB CYS 27 7.878 -2.544 16.390 199 HB3 CYS 27 3HB CYS 27 7.192 -0.897 16.382 200 HG CYS 27 HG CYS 27 5.765 -2.445 17.980 201 H CYS 28 H CYS 28 6.695 0.589 14.670 202 HA CYS 28 HA CYS 28 3.971 0.839 13.935 203 HB2 CYS 28 2HB CYS 28 6.165 2.978 13.987 204 HB3 CYS 28 3HB CYS 28 4.425 3.246 14.144 205 HG CYS 28 HG CYS 28 5.356 3.602 16.504 206 H ALA 29 H ALA 29 5.429 -0.459 11.760 207 HA ALA 29 HA ALA 29 5.934 1.387 9.627 208 HB1 ALA 29 1HB ALA 29 6.402 -0.614 8.343 209 HB2 ALA 29 2HB ALA 29 7.132 -0.783 9.968 210 HB3 ALA 29 3HB ALA 29 5.607 -1.627 9.558 211 H CYS 30 H CYS 30 3.281 1.868 10.382 212 HA CYS 30 HA CYS 30 1.077 1.830 9.725 213 HB2 CYS 30 2HB CYS 30 2.453 1.626 7.084 214 HB3 CYS 30 3HB CYS 30 0.862 2.222 7.395 215 HA PRO 31 HA PRO 31 0.985 -3.058 8.770 216 HB2 PRO 31 2HB PRO 31 -0.573 -3.505 11.011 217 HB3 PRO 31 3HB PRO 31 1.213 -3.657 10.991 218 HG2 PRO 31 2HG PRO 31 -0.465 -1.316 11.940 219 HG3 PRO 31 3HG PRO 31 0.961 -2.059 12.736 220 HD2 PRO 31 2HD PRO 31 1.224 0.218 11.234 221 HD3 PRO 31 3HD PRO 31 2.459 -1.061 11.188 222 H GLU 32 H GLU 32 -1.803 -1.168 10.148 223 HA GLU 32 HA GLU 32 -3.750 -2.449 8.659 224 HB2 GLU 32 2HB GLU 32 -4.789 -0.052 8.329 225 HB3 GLU 32 3HB GLU 32 -4.720 -0.789 9.884 226 HG2 GLU 32 2HG GLU 32 -2.761 0.573 10.521 227 HG3 GLU 32 3HG GLU 32 -2.683 1.254 8.900 228 H THR 33 H THR 33 -1.749 0.227 7.449 229 HA THR 33 HA THR 33 -3.300 0.355 5.116 230 HB THR 33 HB THR 33 -1.563 1.900 4.204 231 HG1 THR 33 1HG THR 33 -0.058 1.024 6.361 232 HG21 THR 33 1HG2 THR 33 -3.192 2.746 5.946 233 HG22 THR 33 2HG2 THR 33 -1.681 3.650 5.793 234 HG23 THR 33 3HG2 THR 33 -1.896 2.521 7.145 235 H LYS 34 H LYS 34 0.031 -0.793 5.551 236 HA LYS 34 HA LYS 34 0.747 -2.021 3.127 237 HB2 LYS 34 2HB LYS 34 2.241 -1.623 4.986 238 HB3 LYS 34 3HB LYS 34 1.218 -2.440 6.119 239 HG2 LYS 34 2HG LYS 34 2.868 -3.899 4.038 240 HG3 LYS 34 3HG LYS 34 3.276 -3.455 5.711 241 HD2 LYS 34 2HD LYS 34 1.350 -4.792 6.541 242 HD3 LYS 34 3HD LYS 34 1.225 -5.483 4.906 243 HE2 LYS 34 2HE LYS 34 2.347 -6.874 6.573 244 HE3 LYS 34 3HE LYS 34 3.238 -6.617 5.061 245 HZ1 LYS 34 3HZ LYS 34 3.798 -5.122 7.565 246 HZ2 LYS 34 1HZ LYS 34 4.665 -5.076 6.167 247 HZ3 LYS 34 2HZ LYS 34 4.624 -6.430 7.120 248 H LYS 35 H LYS 35 -0.546 -3.653 5.911 249 HA LYS 35 HA LYS 35 -1.190 -6.209 4.965 250 HB2 LYS 35 2HB LYS 35 -1.012 -5.291 7.133 251 HB3 LYS 35 3HB LYS 35 -2.545 -4.592 7.129 252 HG2 LYS 35 2HG LYS 35 -3.617 -6.734 7.186 253 HG3 LYS 35 3HG LYS 35 -2.280 -7.531 6.330 254 HD2 LYS 35 2HD LYS 35 -1.753 -6.369 8.998 255 HD3 LYS 35 3HD LYS 35 -2.610 -7.933 8.850 256 HE2 LYS 35 2HE LYS 35 -0.731 -8.858 7.572 257 HE3 LYS 35 3HE LYS 35 0.174 -7.350 7.717 258 HZ1 LYS 35 3HZ LYS 35 0.705 -9.129 9.382 259 HZ2 LYS 35 1HZ LYS 35 -0.744 -8.968 10.045 260 HZ3 LYS 35 2HZ LYS 35 0.329 -7.703 10.113 261 H ALA 36 H ALA 36 -3.298 -3.445 5.033 262 HA ALA 36 HA ALA 36 -5.407 -4.585 3.374 263 HB1 ALA 36 1HB ALA 36 -4.815 -1.643 3.902 264 HB2 ALA 36 2HB ALA 36 -6.317 -2.324 3.243 265 HB3 ALA 36 3HB ALA 36 -5.829 -2.708 4.907 266 H ARG 37 H ARG 37 -2.492 -2.684 2.379 267 HA ARG 37 HA ARG 37 -3.095 -2.282 -0.414 268 HB2 ARG 37 2HB ARG 37 -0.748 -1.814 0.976 269 HB3 ARG 37 3HB ARG 37 -0.279 -3.300 0.376 270 HG2 ARG 37 2HG ARG 37 -1.593 -1.626 -1.670 271 HG3 ARG 37 3HG ARG 37 -0.248 -0.845 -0.883 272 HD2 ARG 37 2HD ARG 37 0.231 -1.935 -3.075 273 HD3 ARG 37 3HD ARG 37 1.220 -2.268 -1.670 274 HE ARG 37 HE ARG 37 -0.102 -4.415 -1.528 275 HH11 ARG 37 1HH1 ARG 37 1.787 -2.775 -4.038 276 HH12 ARG 37 2HH1 ARG 37 2.449 -4.277 -4.642 277 HH21 ARG 37 1HH2 ARG 37 1.262 -6.285 -2.322 278 HH22 ARG 37 2HH2 ARG 37 2.241 -6.061 -3.716 279 H ASP 38 H ASP 38 -1.366 -4.958 1.142 280 HA ASP 38 HA ASP 38 -1.010 -6.314 -1.245 281 HB2 ASP 38 2HB ASP 38 -0.234 -6.621 1.451 282 HB3 ASP 38 3HB ASP 38 -1.101 -8.108 1.129 283 H ALA 39 H ALA 39 -3.636 -6.625 1.168 284 HA ALA 39 HA ALA 39 -5.142 -8.763 0.164 285 HB1 ALA 39 1HB ALA 39 -6.988 -7.721 1.375 286 HB2 ALA 39 2HB ALA 39 -5.493 -7.510 2.318 287 HB3 ALA 39 3HB ALA 39 -6.158 -6.155 1.357 288 H CYS 40 H CYS 40 -5.334 -5.316 -1.049 289 HA CYS 40 HA CYS 40 -7.427 -5.935 -2.997 290 HB2 CYS 40 2HB CYS 40 -6.728 -3.755 -1.940 291 HB3 CYS 40 3HB CYS 40 -5.249 -3.828 -2.843 292 H ILE 41 H ILE 41 -3.884 -5.732 -3.078 293 HA ILE 41 HA ILE 41 -3.513 -6.168 -5.888 294 HB ILE 41 HB ILE 41 -1.694 -6.410 -3.497 295 HG12 ILE 41 2HG1 ILE 41 -0.531 -4.589 -4.943 296 HG13 ILE 41 3HG1 ILE 41 -1.878 -4.545 -5.889 297 HG21 ILE 41 1HG2 ILE 41 -1.002 -7.096 -6.383 298 HG22 ILE 41 2HG2 ILE 41 0.193 -6.775 -5.121 299 HG23 ILE 41 3HG2 ILE 41 -0.877 -8.160 -4.962 300 HD11 ILE 41 3HD1 ILE 41 -3.302 -3.840 -3.992 301 HD12 ILE 41 1HD1 ILE 41 -1.853 -3.750 -3.039 302 HD13 ILE 41 2HD1 ILE 41 -1.995 -2.712 -4.446 303 H ILE 42 H ILE 42 -3.764 -8.458 -3.195 304 HA ILE 42 HA ILE 42 -3.391 -10.949 -4.438 305 HB ILE 42 HB ILE 42 -5.024 -9.823 -2.174 306 HG12 ILE 42 2HG1 ILE 42 -2.770 -11.851 -2.373 307 HG13 ILE 42 3HG1 ILE 42 -2.559 -10.140 -1.999 308 HG21 ILE 42 1HG2 ILE 42 -6.598 -11.413 -2.936 309 HG22 ILE 42 2HG2 ILE 42 -5.348 -12.695 -3.015 310 HG23 ILE 42 3HG2 ILE 42 -5.857 -12.003 -1.454 311 HD11 ILE 42 3HD1 ILE 42 -3.889 -10.503 0.111 312 HD12 ILE 42 1HD1 ILE 42 -3.916 -12.244 -0.258 313 HD13 ILE 42 2HD1 ILE 42 -2.375 -11.420 0.028 314 H GLU 43 H GLU 43 -6.229 -8.878 -4.576 315 HA GLU 43 HA GLU 43 -7.930 -10.957 -5.745 316 HB2 GLU 43 2HB GLU 43 -8.106 -8.882 -3.881 317 HB3 GLU 43 3HB GLU 43 -8.918 -8.167 -5.176 318 HG2 GLU 43 2HG GLU 43 -9.656 -11.007 -4.382 319 HG3 GLU 43 3HG GLU 43 -9.837 -9.693 -3.250 320 H LYS 44 H LYS 44 -7.009 -7.638 -6.441 321 HA LYS 44 HA LYS 44 -7.775 -7.958 -9.341 322 HB2 LYS 44 2HB LYS 44 -7.077 -5.396 -7.884 323 HB3 LYS 44 3HB LYS 44 -7.870 -5.606 -9.452 324 HG2 LYS 44 2HG LYS 44 -9.078 -6.214 -6.734 325 HG3 LYS 44 3HG LYS 44 -9.506 -4.924 -7.859 326 HD2 LYS 44 2HD LYS 44 -10.019 -6.765 -9.573 327 HD3 LYS 44 3HD LYS 44 -9.856 -7.913 -8.229 328 HE2 LYS 44 2HE LYS 44 -11.638 -6.719 -6.990 329 HE3 LYS 44 3HE LYS 44 -11.818 -5.567 -8.333 330 HZ1 LYS 44 3HZ LYS 44 -12.518 -7.402 -9.739 331 HZ2 LYS 44 1HZ LYS 44 -13.451 -7.374 -8.412 332 HZ3 LYS 44 2HZ LYS 44 -12.257 -8.486 -8.500 333 H GLY 45 H GLY 45 -5.010 -7.014 -7.466 334 HA2 GLY 45 1HA GLY 45 -2.692 -7.389 -8.412 335 HA3 GLY 45 2HA GLY 45 -3.301 -6.864 -9.971 336 H GLU 46 H GLU 46 -1.115 -5.586 -9.131 337 HA GLU 46 HA GLU 46 -1.608 -3.210 -7.441 338 HB2 GLU 46 2HB GLU 46 0.647 -3.468 -9.460 339 HB3 GLU 46 3HB GLU 46 0.600 -2.556 -7.973 340 HG2 GLU 46 2HG GLU 46 1.935 -4.176 -7.204 341 HG3 GLU 46 3HG GLU 46 0.467 -5.074 -6.940 342 H GLU 47 H GLU 47 -1.639 -4.030 -10.823 343 HA GLU 47 HA GLU 47 -1.988 -1.527 -12.084 344 HB2 GLU 47 2HB GLU 47 -2.993 -2.871 -13.873 345 HB3 GLU 47 3HB GLU 47 -1.452 -3.491 -13.283 346 HG2 GLU 47 2HG GLU 47 -3.836 -4.647 -11.918 347 HG3 GLU 47 3HG GLU 47 -3.728 -4.962 -13.655 348 H HIS 48 H HIS 48 -4.169 -2.976 -9.872 349 HA HIS 48 HA HIS 48 -6.421 -1.231 -10.781 350 HB2 HIS 48 2HB HIS 48 -6.243 -4.106 -9.863 351 HB3 HIS 48 3HB HIS 48 -7.755 -3.242 -9.799 352 HD2 HIS 48 2HD HIS 48 -5.911 -5.484 -11.942 353 HE1 HIS 48 1HE HIS 48 -8.013 -3.103 -14.806 354 HE2 HIS 48 2HE HIS 48 -6.673 -5.261 -14.458 355 H CYS 49 H CYS 49 -4.132 -1.781 -8.477 356 HA CYS 49 HA CYS 49 -5.676 -0.704 -6.206 357 HB2 CYS 49 2HB CYS 49 -3.721 -3.006 -6.316 358 HB3 CYS 49 3HB CYS 49 -4.263 -2.330 -4.955 359 H GLY 50 H GLY 50 -3.478 0.398 -8.223 360 HA2 GLY 50 1HA GLY 50 -1.512 1.152 -6.208 361 HA3 GLY 50 2HA GLY 50 -1.389 1.640 -7.829 362 H HIS 51 H HIS 51 -4.604 2.388 -6.783 363 HA HIS 51 HA HIS 51 -4.009 4.909 -5.402 364 HB2 HIS 51 2HB HIS 51 -6.291 4.908 -4.783 365 HB3 HIS 51 3HB HIS 51 -6.207 4.346 -6.457 366 HD2 HIS 51 2HD HIS 51 -7.992 3.560 -3.366 367 HE1 HIS 51 1HE HIS 51 -7.740 -0.221 -5.317 368 HE2 HIS 51 2HE HIS 51 -8.900 1.097 -3.469 369 H LEU 52 H LEU 52 -4.664 1.545 -4.475 370 HA LEU 52 HA LEU 52 -3.977 1.900 -1.685 371 HB2 LEU 52 2HB LEU 52 -4.713 -0.418 -3.511 372 HB3 LEU 52 3HB LEU 52 -3.703 -0.917 -2.347 373 HG LEU 52 HG LEU 52 -6.520 -0.523 -2.356 374 HD11 LEU 52 1HD1 LEU 52 -6.528 -1.481 -0.122 375 HD12 LEU 52 2HD1 LEU 52 -4.831 -1.024 0.122 376 HD13 LEU 52 3HD1 LEU 52 -5.256 -2.256 -1.075 377 HD21 LEU 52 3HD2 LEU 52 -7.080 0.843 -0.477 378 HD22 LEU 52 1HD2 LEU 52 -6.216 1.829 -1.695 379 HD23 LEU 52 2HD2 LEU 52 -5.367 1.287 -0.235 380 H ILE 53 H ILE 53 -1.879 1.300 -4.447 381 HA ILE 53 HA ILE 53 0.405 1.025 -2.677 382 HB ILE 53 HB ILE 53 0.275 2.144 -5.497 383 HG12 ILE 53 2HG1 ILE 53 1.452 -0.517 -4.753 384 HG13 ILE 53 3HG1 ILE 53 -0.258 -0.426 -4.661 385 HG21 ILE 53 1HG2 ILE 53 2.680 1.281 -3.810 386 HG22 ILE 53 2HG2 ILE 53 2.729 1.626 -5.553 387 HG23 ILE 53 3HG2 ILE 53 2.343 2.916 -4.421 388 HD11 ILE 53 3HD1 ILE 53 1.508 -0.817 -6.912 389 HD12 ILE 53 1HD1 ILE 53 -0.272 -0.737 -6.957 390 HD13 ILE 53 2HD1 ILE 53 0.708 0.725 -7.199 391 H GLU 54 H GLU 54 -0.935 3.970 -4.339 392 HA GLU 54 HA GLU 54 1.104 5.696 -3.458 393 HB2 GLU 54 2HB GLU 54 -1.655 6.391 -4.389 394 HB3 GLU 54 3HB GLU 54 -0.306 7.499 -4.289 395 HG2 GLU 54 2HG GLU 54 0.172 5.028 -5.960 396 HG3 GLU 54 3HG GLU 54 -1.039 6.144 -6.564 397 H ALA 55 H ALA 55 -2.190 5.121 -2.227 398 HA ALA 55 HA ALA 55 -2.156 7.144 -0.288 399 HB1 ALA 55 1HB ALA 55 -4.201 5.989 -1.045 400 HB2 ALA 55 2HB ALA 55 -3.614 4.434 -0.405 401 HB3 ALA 55 3HB ALA 55 -4.040 5.757 0.711 402 H HIS 56 H HIS 56 -1.074 3.801 -0.262 403 HA HIS 56 HA HIS 56 -0.232 3.747 2.538 404 HB2 HIS 56 2HB HIS 56 -0.077 1.717 0.267 405 HB3 HIS 56 3HB HIS 56 0.453 1.436 1.897 406 HD2 HIS 56 2HD HIS 56 -2.081 -0.248 0.873 407 HE1 HIS 56 1HE HIS 56 -4.689 2.494 2.796 408 HE2 HIS 56 2HE HIS 56 -4.474 0.126 1.850 409 H LYS 57 H LYS 57 1.264 4.219 -0.578 410 HA LYS 57 HA LYS 57 3.922 4.205 -0.011 411 HB2 LYS 57 2HB LYS 57 2.287 4.595 -2.091 412 HB3 LYS 57 3HB LYS 57 2.609 6.201 -1.950 413 HG2 LYS 57 2HG LYS 57 5.144 5.355 -2.188 414 HG3 LYS 57 3HG LYS 57 4.297 3.809 -2.534 415 HD2 LYS 57 2HD LYS 57 2.977 5.040 -4.330 416 HD3 LYS 57 3HD LYS 57 3.965 6.466 -4.032 417 HE2 LYS 57 2HE LYS 57 5.947 5.305 -4.841 418 HE3 LYS 57 3HE LYS 57 5.059 3.785 -5.000 419 HZ1 LYS 57 3HZ LYS 57 4.002 4.532 -6.885 420 HZ2 LYS 57 1HZ LYS 57 5.310 5.564 -7.005 421 HZ3 LYS 57 2HZ LYS 57 3.870 6.045 -6.371 422 H GLU 58 H GLU 58 1.648 6.966 0.172 423 HA GLU 58 HA GLU 58 3.557 8.685 1.425 424 HB2 GLU 58 2HB GLU 58 1.749 10.097 2.274 425 HB3 GLU 58 3HB GLU 58 1.756 9.802 0.553 426 HG2 GLU 58 2HG GLU 58 0.028 8.073 0.894 427 HG3 GLU 58 3HG GLU 58 -0.104 8.531 2.603 428 H CYS 59 H CYS 59 1.498 6.296 2.902 429 HA CYS 59 HA CYS 59 2.146 6.950 5.613 430 HB2 CYS 59 2HB CYS 59 0.264 5.516 4.724 431 HB3 CYS 59 3HB CYS 59 1.335 4.149 4.587 432 H MET 60 H MET 60 3.649 4.404 3.504 433 HA MET 60 HA MET 60 5.818 3.806 5.296 434 HB2 MET 60 2HB MET 60 5.440 3.496 2.292 435 HB3 MET 60 3HB MET 60 6.961 3.154 3.098 436 HG2 MET 60 2HG MET 60 6.223 1.096 3.255 437 HG3 MET 60 3HG MET 60 5.410 1.659 4.697 438 HE1 MET 60 3HE MET 60 1.788 1.019 3.983 439 HE2 MET 60 1HE MET 60 3.132 0.723 5.106 440 HE3 MET 60 2HE MET 60 2.742 2.383 4.603 441 H ARG 61 H ARG 61 5.702 6.315 2.622 442 HA ARG 61 HA ARG 61 8.481 6.961 2.777 443 HB2 ARG 61 2HB ARG 61 8.092 8.646 1.342 444 HB3 ARG 61 3HB ARG 61 6.623 7.714 1.084 445 HG2 ARG 61 2HG ARG 61 5.547 9.263 2.819 446 HG3 ARG 61 3HG ARG 61 7.028 10.205 2.694 447 HD2 ARG 61 2HD ARG 61 6.523 10.669 0.322 448 HD3 ARG 61 3HD ARG 61 5.180 9.544 0.350 449 HE ARG 61 HE ARG 61 3.844 11.065 1.592 450 HH11 ARG 61 1HH1 ARG 61 7.010 12.486 1.022 451 HH12 ARG 61 2HH1 ARG 61 6.386 14.085 1.432 452 HH21 ARG 61 1HH2 ARG 61 3.284 13.222 2.330 453 HH22 ARG 61 2HH2 ARG 61 4.491 14.439 2.037 454 H ALA 62 H ALA 62 5.820 8.260 4.701 455 HA ALA 62 HA ALA 62 7.269 10.184 6.166 456 HB1 ALA 62 1HB ALA 62 5.332 10.171 7.606 457 HB2 ALA 62 2HB ALA 62 4.787 9.965 5.940 458 HB3 ALA 62 3HB ALA 62 4.842 8.561 7.034 459 H LEU 63 H LEU 63 7.410 6.737 6.507 460 HA LEU 63 HA LEU 63 8.626 6.611 9.164 461 HB2 LEU 63 2HB LEU 63 8.770 4.686 6.804 462 HB3 LEU 63 3HB LEU 63 9.179 4.329 8.421 463 HG LEU 63 HG LEU 63 6.398 4.924 7.325 464 HD11 LEU 63 1HD1 LEU 63 7.463 2.397 8.493 465 HD12 LEU 63 2HD1 LEU 63 7.142 2.757 6.768 466 HD13 LEU 63 3HD1 LEU 63 5.798 2.704 7.893 467 HD21 LEU 63 3HD2 LEU 63 7.237 4.231 10.150 468 HD22 LEU 63 1HD2 LEU 63 5.543 4.333 9.562 469 HD23 LEU 63 2HD2 LEU 63 6.552 5.787 9.608 470 H GLY 64 H GLY 64 9.845 7.750 6.161 471 HA2 GLY 64 1HA GLY 64 11.937 8.187 5.462 472 HA3 GLY 64 2HA GLY 64 12.679 7.449 6.885 473 H PHE 65 H PHE 65 10.377 6.001 4.581 474 HA PHE 65 HA PHE 65 12.282 3.799 3.932 475 HB2 PHE 65 2HB PHE 65 9.359 4.311 3.514 476 HB3 PHE 65 3HB PHE 65 10.113 3.024 2.674 477 HD1 PHE 65 1HD PHE 65 11.140 3.617 6.247 478 HD2 PHE 65 2HD PHE 65 8.467 1.557 3.551 479 HE1 PHE 65 1HE PHE 65 10.469 2.115 8.057 480 HE2 PHE 65 2HE PHE 65 7.649 0.202 5.431 481 HZ PHE 65 HZ PHE 65 8.626 0.508 7.697 482 H LYS 66 H LYS 66 11.838 2.936 1.599 483 HA LYS 66 HA LYS 66 13.393 4.668 -0.035 484 HB2 LYS 66 2HB LYS 66 12.388 1.937 -0.886 485 HB3 LYS 66 3HB LYS 66 13.875 2.750 -1.333 486 HG2 LYS 66 2HG LYS 66 14.894 1.439 0.197 487 HG3 LYS 66 3HG LYS 66 14.187 2.530 1.407 488 HD2 LYS 66 2HD LYS 66 13.737 0.271 2.068 489 HD3 LYS 66 3HD LYS 66 12.250 1.098 1.625 490 HE2 LYS 66 2HE LYS 66 12.055 -1.126 0.819 491 HE3 LYS 66 3HE LYS 66 12.256 -0.105 -0.591 492 HZ1 LYS 66 3HZ LYS 66 14.469 -0.929 -0.884 493 HZ2 LYS 66 1HZ LYS 66 13.523 -2.209 -0.565 494 HZ3 LYS 66 2HZ LYS 66 14.505 -1.698 0.581 495 H ILE 67 H ILE 67 10.893 5.849 0.038 496 HA ILE 67 HA ILE 67 9.288 4.919 -2.264 497 HB ILE 67 HB ILE 67 8.771 6.895 -0.061 498 HG12 ILE 67 2HG1 ILE 67 6.781 5.463 0.290 499 HG13 ILE 67 3HG1 ILE 67 7.199 4.487 -1.115 500 HG21 ILE 67 1HG2 ILE 67 7.782 8.064 -1.942 501 HG22 ILE 67 2HG2 ILE 67 7.103 6.566 -2.593 502 HG23 ILE 67 3HG2 ILE 67 6.446 7.240 -1.098 503 HD11 ILE 67 3HD1 ILE 67 7.700 3.404 1.039 504 HD12 ILE 67 1HD1 ILE 67 9.126 3.563 0.032 505 HD13 ILE 67 2HD1 ILE 67 8.874 4.704 1.384 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 33.057 -63.222 35.296 2 H2 GLY 1 H2 GLY 1 34.004 -62.482 36.418 3 H3 GLY 1 H3 GLY 1 34.377 -62.370 34.821 4 HA2 GLY 1 2HA GLY 1 31.961 -61.224 36.076 5 HA3 GLY 1 1HA GLY 1 33.416 -60.308 35.633 6 H SER 2 H SER 2 31.342 -59.283 34.571 7 HA SER 2 HA SER 2 31.029 -60.251 31.749 8 HB2 SER 2 2HB SER 2 28.920 -59.059 33.599 9 HB3 SER 2 3HB SER 2 28.665 -59.629 31.938 10 HG SER 2 HG SER 2 28.098 -61.168 33.628 11 H PHE 3 H PHE 3 29.485 -58.250 30.756 12 HA PHE 3 HA PHE 3 30.045 -55.592 31.637 13 HB2 PHE 3 2HB PHE 3 30.963 -54.709 29.559 14 HB3 PHE 3 3HB PHE 3 32.061 -55.861 30.267 15 HD1 PHE 3 2HD PHE 3 32.425 -58.100 29.211 16 HD2 PHE 3 1HD PHE 3 29.920 -55.104 27.380 17 HE1 PHE 3 2HE PHE 3 32.538 -59.318 27.046 18 HE2 PHE 3 1HE PHE 3 30.016 -56.333 25.235 19 HZ PHE 3 HZ PHE 3 31.337 -58.432 25.055 20 H THR 4 H THR 4 28.828 -54.059 29.857 21 HA THR 4 HA THR 4 26.695 -55.492 28.415 22 HB THR 4 HB THR 4 24.916 -54.040 29.098 23 HG1 THR 4 1HG THR 4 25.236 -52.585 30.831 24 HG21 THR 4 1HG2 THR 4 25.273 -56.024 30.546 25 HG22 THR 4 2HG2 THR 4 24.507 -54.669 31.395 26 HG23 THR 4 3HG2 THR 4 26.234 -55.020 31.654 27 H MET 5 H MET 5 25.467 -53.851 26.983 28 HA MET 5 HA MET 5 27.193 -51.694 25.929 29 HB2 MET 5 2HB MET 5 27.203 -52.728 23.680 30 HB3 MET 5 3HB MET 5 28.159 -53.581 24.873 31 HG2 MET 5 2HG MET 5 25.337 -54.474 24.217 32 HG3 MET 5 3HG MET 5 26.709 -54.933 23.220 33 HE1 MET 5 3HE MET 5 25.676 -58.203 25.227 34 HE2 MET 5 1HE MET 5 24.571 -56.888 24.781 35 HE3 MET 5 2HE MET 5 25.793 -57.462 23.614 36 HA PRO 6 HA PRO 6 22.478 -50.792 25.521 37 HB2 PRO 6 2HB PRO 6 22.602 -48.303 26.645 38 HB3 PRO 6 3HB PRO 6 22.279 -49.814 27.539 39 HG2 PRO 6 2HG PRO 6 24.907 -48.338 27.272 40 HG3 PRO 6 3HG PRO 6 24.161 -49.019 28.749 41 HD2 PRO 6 2HD PRO 6 26.102 -50.357 27.423 42 HD3 PRO 6 3HD PRO 6 24.707 -51.233 28.113 43 H GLY 7 H GLY 7 25.287 -48.637 24.990 44 HA2 GLY 7 1HA GLY 7 25.975 -47.364 23.200 45 HA3 GLY 7 2HA GLY 7 24.843 -48.283 22.195 46 H LEU 8 H LEU 8 22.430 -47.568 23.243 47 HA LEU 8 HA LEU 8 22.075 -44.779 23.814 48 HB2 LEU 8 2HB LEU 8 20.687 -44.175 22.015 49 HB3 LEU 8 3HB LEU 8 22.212 -44.667 21.319 50 HG LEU 8 HG LEU 8 19.712 -46.421 21.347 51 HD11 LEU 8 1HD1 LEU 8 19.364 -44.364 20.042 52 HD12 LEU 8 2HD1 LEU 8 19.459 -45.789 18.998 53 HD13 LEU 8 3HD1 LEU 8 20.847 -44.693 19.128 54 HD21 LEU 8 3HD2 LEU 8 21.651 -47.832 21.047 55 HD22 LEU 8 1HD2 LEU 8 22.375 -46.687 19.892 56 HD23 LEU 8 2HD2 LEU 8 20.913 -47.600 19.462 57 H VAL 9 H VAL 9 19.445 -44.479 23.671 58 HA VAL 9 HA VAL 9 18.190 -46.831 24.953 59 HB VAL 9 HB VAL 9 17.120 -45.145 26.419 60 HG11 VAL 9 1HG1 VAL 9 19.045 -44.761 27.865 61 HG12 VAL 9 2HG1 VAL 9 19.176 -46.362 27.109 62 HG13 VAL 9 3HG1 VAL 9 20.156 -45.006 26.501 63 HG21 VAL 9 3HG2 VAL 9 17.318 -43.107 25.009 64 HG22 VAL 9 1HG2 VAL 9 17.972 -42.872 26.631 65 HG23 VAL 9 2HG2 VAL 9 19.081 -43.109 25.274 66 H ASP 10 H ASP 10 17.975 -46.060 22.140 67 HA ASP 10 HA ASP 10 16.535 -45.822 20.465 68 HB2 ASP 10 2HB ASP 10 15.330 -47.524 22.139 69 HB3 ASP 10 3HB ASP 10 14.090 -46.281 22.134 70 H SER 11 H SER 11 17.013 -43.441 22.257 71 HA SER 11 HA SER 11 15.096 -41.570 20.930 72 HB2 SER 11 2HB SER 11 15.005 -41.553 23.397 73 HB3 SER 11 3HB SER 11 16.716 -41.081 23.448 74 HG SER 11 HG SER 11 15.052 -39.371 23.561 75 H ASN 12 H ASN 12 16.777 -39.218 21.221 76 HA ASN 12 HA ASN 12 19.043 -39.870 19.394 77 HB2 ASN 12 2HB ASN 12 16.472 -38.895 18.547 78 HB3 ASN 12 3HB ASN 12 17.656 -37.642 18.241 79 HD21 ASN 12 1HD2 ASN 12 17.882 -41.255 18.160 80 HD22 ASN 12 2HD2 ASN 12 18.450 -41.294 16.503 81 HA PRO 13 HA PRO 13 21.353 -37.034 21.389 82 HB2 PRO 13 2HB PRO 13 23.234 -36.268 19.588 83 HB3 PRO 13 3HB PRO 13 22.957 -37.985 19.999 84 HG2 PRO 13 2HG PRO 13 22.062 -36.489 17.543 85 HG3 PRO 13 3HG PRO 13 22.613 -38.187 17.694 86 HD2 PRO 13 2HD PRO 13 19.936 -37.230 17.664 87 HD3 PRO 13 3HD PRO 13 20.410 -38.876 18.111 88 H ALA 14 H ALA 14 20.184 -35.420 22.179 89 HA ALA 14 HA ALA 14 20.233 -32.786 20.778 90 HB1 ALA 14 1HB ALA 14 18.063 -33.828 20.515 91 HB2 ALA 14 2HB ALA 14 17.911 -34.013 22.276 92 HB3 ALA 14 3HB ALA 14 17.975 -32.380 21.548 93 HA PRO 15 HA PRO 15 21.999 -31.927 24.958 94 HB2 PRO 15 2HB PRO 15 23.689 -29.916 24.155 95 HB3 PRO 15 3HB PRO 15 24.122 -31.650 24.050 96 HG2 PRO 15 2HG PRO 15 23.020 -29.853 21.871 97 HG3 PRO 15 3HG PRO 15 24.418 -30.974 21.782 98 HD2 PRO 15 2HD PRO 15 21.937 -31.642 20.884 99 HD3 PRO 15 3HD PRO 15 23.015 -32.860 21.629 100 HA PRO 16 HA PRO 16 19.274 -28.433 25.505 101 HB2 PRO 16 2HB PRO 16 20.283 -27.092 27.659 102 HB3 PRO 16 3HB PRO 16 19.638 -28.757 27.762 103 HG2 PRO 16 2HG PRO 16 22.544 -27.922 27.449 104 HG3 PRO 16 3HG PRO 16 21.846 -29.046 28.660 105 HD2 PRO 16 2HD PRO 16 22.980 -29.932 26.349 106 HD3 PRO 16 3HD PRO 16 21.548 -30.744 27.051 107 H GLU 17 H GLU 17 20.136 -27.818 23.294 108 HA GLU 17 HA GLU 17 21.173 -25.048 23.244 109 HB2 GLU 17 2HB GLU 17 22.927 -27.200 22.976 110 HB3 GLU 17 3HB GLU 17 22.544 -26.648 21.340 111 HG2 GLU 17 2HG GLU 17 23.153 -24.373 21.875 112 HG3 GLU 17 3HG GLU 17 23.420 -24.797 23.575 113 H SER 18 H SER 18 21.426 -24.408 20.792 114 HA SER 18 HA SER 18 20.437 -23.757 18.868 115 HB2 SER 18 2HB SER 18 20.593 -26.062 18.213 116 HB3 SER 18 3HB SER 18 19.045 -26.468 18.947 117 HG SER 18 HG SER 18 19.128 -25.922 16.564 118 H GLN 19 H GLN 19 18.029 -25.119 21.075 119 HA GLN 19 HA GLN 19 16.008 -23.320 19.911 120 HB2 GLN 19 2HB GLN 19 14.352 -24.994 20.456 121 HB3 GLN 19 3HB GLN 19 15.664 -25.692 19.510 122 HG2 GLN 19 2HG GLN 19 16.632 -26.570 21.719 123 HG3 GLN 19 3HG GLN 19 15.122 -26.095 22.482 124 HE21 GLN 19 1HE2 GLN 19 16.366 -28.838 22.032 125 HE22 GLN 19 2HE2 GLN 19 15.069 -29.706 21.220 126 H GLU 20 H GLU 20 15.158 -21.726 21.202 127 HA GLU 20 HA GLU 20 14.953 -22.026 24.099 128 HB2 GLU 20 2HB GLU 20 17.315 -21.219 23.602 129 HB3 GLU 20 3HB GLU 20 16.606 -19.733 22.940 130 HG2 GLU 20 2HG GLU 20 15.641 -19.193 25.126 131 HG3 GLU 20 3HG GLU 20 16.071 -20.779 25.763 132 H LYS 21 H LYS 21 13.683 -20.283 25.061 133 HA LYS 21 HA LYS 21 11.395 -19.567 23.418 134 HB2 LYS 21 2HB LYS 21 12.108 -19.061 26.341 135 HB3 LYS 21 3HB LYS 21 10.569 -18.600 25.598 136 HG2 LYS 21 2HG LYS 21 10.029 -20.910 25.063 137 HG3 LYS 21 3HG LYS 21 11.622 -21.459 25.609 138 HD2 LYS 21 2HD LYS 21 11.122 -20.679 27.901 139 HD3 LYS 21 3HD LYS 21 9.490 -20.201 27.391 140 HE2 LYS 21 2HE LYS 21 8.718 -22.346 27.374 141 HE3 LYS 21 3HE LYS 21 10.169 -22.956 26.577 142 HZ1 LYS 21 3HZ LYS 21 11.320 -22.888 28.698 143 HZ2 LYS 21 1HZ LYS 21 10.005 -23.857 28.820 144 HZ3 LYS 21 2HZ LYS 21 9.990 -22.333 29.470 145 H LYS 22 H LYS 22 12.676 -18.327 21.922 146 HA LYS 22 HA LYS 22 13.287 -15.505 22.596 147 HB2 LYS 22 2HB LYS 22 13.549 -17.211 20.091 148 HB3 LYS 22 3HB LYS 22 13.882 -15.479 20.109 149 HG2 LYS 22 2HG LYS 22 15.650 -15.716 21.713 150 HG3 LYS 22 3HG LYS 22 15.263 -17.415 22.015 151 HD2 LYS 22 2HD LYS 22 16.029 -18.096 19.843 152 HD3 LYS 22 3HD LYS 22 16.178 -16.411 19.287 153 HE2 LYS 22 2HE LYS 22 17.954 -15.957 20.862 154 HE3 LYS 22 3HE LYS 22 17.756 -17.518 21.654 155 HZ1 LYS 22 3HZ LYS 22 18.564 -17.311 18.791 156 HZ2 LYS 22 1HZ LYS 22 18.647 -18.604 19.750 157 HZ3 LYS 22 2HZ LYS 22 19.636 -17.318 20.062 158 HA PRO 23 HA PRO 23 8.926 -14.695 21.216 159 HB2 PRO 23 2HB PRO 23 8.329 -12.626 22.864 160 HB3 PRO 23 3HB PRO 23 8.349 -14.313 23.463 161 HG2 PRO 23 2HG PRO 23 10.592 -12.259 23.637 162 HG3 PRO 23 3HG PRO 23 9.883 -13.230 24.970 163 HD2 PRO 23 2HD PRO 23 12.139 -14.032 23.683 164 HD3 PRO 23 3HD PRO 23 10.875 -15.193 24.205 165 H LEU 24 H LEU 24 8.001 -12.674 20.296 166 HA LEU 24 HA LEU 24 9.940 -10.581 19.432 167 HB2 LEU 24 2HB LEU 24 8.055 -12.255 17.720 168 HB3 LEU 24 3HB LEU 24 8.410 -10.619 17.265 169 HG LEU 24 HG LEU 24 9.695 -12.012 15.939 170 HD11 LEU 24 1HD1 LEU 24 11.588 -10.769 17.958 171 HD12 LEU 24 2HD1 LEU 24 10.790 -9.921 16.615 172 HD13 LEU 24 3HD1 LEU 24 11.965 -11.210 16.287 173 HD21 LEU 24 3HD2 LEU 24 11.118 -13.220 18.316 174 HD22 LEU 24 1HD2 LEU 24 11.313 -13.611 16.602 175 HD23 LEU 24 2HD2 LEU 24 9.791 -14.003 17.424 176 H LYS 25 H LYS 25 8.889 -8.621 18.723 177 HA LYS 25 HA LYS 25 6.048 -8.244 19.566 178 HB2 LYS 25 2HB LYS 25 8.342 -6.242 19.806 179 HB3 LYS 25 3HB LYS 25 6.640 -5.861 20.069 180 HG2 LYS 25 2HG LYS 25 6.649 -7.754 21.839 181 HG3 LYS 25 3HG LYS 25 8.416 -7.696 21.709 182 HD2 LYS 25 2HD LYS 25 8.268 -5.204 22.262 183 HD3 LYS 25 3HD LYS 25 6.531 -5.459 22.570 184 HE2 LYS 25 2HE LYS 25 7.211 -7.329 24.177 185 HE3 LYS 25 3HE LYS 25 8.887 -6.813 23.954 186 HZ1 LYS 25 3HZ LYS 25 8.148 -5.769 25.850 187 HZ2 LYS 25 1HZ LYS 25 6.701 -5.322 25.261 188 HZ3 LYS 25 2HZ LYS 25 8.061 -4.538 24.763 189 HA PRO 26 HA PRO 26 5.537 -6.731 15.377 190 HB2 PRO 26 2HB PRO 26 3.698 -4.697 15.642 191 HB3 PRO 26 3HB PRO 26 3.279 -6.436 15.760 192 HG2 PRO 26 2HG PRO 26 3.859 -4.496 18.025 193 HG3 PRO 26 3HG PRO 26 2.474 -5.631 17.862 194 HD2 PRO 26 2HD PRO 26 4.649 -6.263 19.343 195 HD3 PRO 26 3HD PRO 26 3.844 -7.503 18.343 196 H CYS 27 H CYS 27 5.787 -4.745 14.075 197 HA CYS 27 HA CYS 27 7.464 -2.604 15.321 198 HB2 CYS 27 2HB CYS 27 7.873 -3.994 12.630 199 HB3 CYS 27 3HB CYS 27 8.724 -2.531 13.151 200 HG CYS 27 HG CYS 27 8.654 -5.358 14.897 201 H CYS 28 H CYS 28 6.906 -0.556 14.692 202 HA CYS 28 HA CYS 28 4.242 -0.117 13.971 203 HB2 CYS 28 2HB CYS 28 6.573 1.848 14.169 204 HB3 CYS 28 3HB CYS 28 4.858 2.256 14.318 205 HG CYS 28 HG CYS 28 6.313 2.191 16.674 206 H ALA 29 H ALA 29 5.552 -1.313 11.545 207 HA ALA 29 HA ALA 29 6.174 0.839 9.731 208 HB1 ALA 29 1HB ALA 29 6.544 -0.908 8.101 209 HB2 ALA 29 2HB ALA 29 7.284 -1.384 9.658 210 HB3 ALA 29 3HB ALA 29 5.719 -2.094 9.127 211 H CYS 30 H CYS 30 3.543 1.437 10.449 212 HA CYS 30 HA CYS 30 1.335 1.571 9.772 213 HB2 CYS 30 2HB CYS 30 2.542 1.433 7.042 214 HB3 CYS 30 3HB CYS 30 0.987 1.993 7.503 215 HA PRO 31 HA PRO 31 0.829 -3.227 8.709 216 HB2 PRO 31 2HB PRO 31 -0.896 -3.378 10.899 217 HB3 PRO 31 3HB PRO 31 0.786 -3.976 10.859 218 HG2 PRO 31 2HG PRO 31 -0.331 -1.388 11.977 219 HG3 PRO 31 3HG PRO 31 0.996 -2.389 12.638 220 HD2 PRO 31 2HD PRO 31 1.504 -0.076 11.216 221 HD3 PRO 31 3HD PRO 31 2.543 -1.520 11.069 222 H GLU 32 H GLU 32 -1.679 -0.912 10.003 223 HA GLU 32 HA GLU 32 -3.740 -2.147 8.570 224 HB2 GLU 32 2HB GLU 32 -4.601 0.368 8.234 225 HB3 GLU 32 3HB GLU 32 -4.691 -0.461 9.734 226 HG2 GLU 32 2HG GLU 32 -2.597 0.685 10.521 227 HG3 GLU 32 3HG GLU 32 -2.502 1.517 8.961 228 H THR 33 H THR 33 -1.670 0.471 7.320 229 HA THR 33 HA THR 33 -3.244 0.536 4.957 230 HB THR 33 HB THR 33 -1.397 2.083 4.068 231 HG1 THR 33 1HG THR 33 0.066 2.709 5.711 232 HG21 THR 33 1HG2 THR 33 -2.321 2.740 6.897 233 HG22 THR 33 2HG2 THR 33 -3.306 2.975 5.436 234 HG23 THR 33 3HG2 THR 33 -1.810 3.897 5.641 235 H LYS 34 H LYS 34 0.040 -0.684 5.629 236 HA LYS 34 HA LYS 34 0.765 -1.878 3.134 237 HB2 LYS 34 2HB LYS 34 2.258 -1.575 5.087 238 HB3 LYS 34 3HB LYS 34 1.196 -2.485 6.118 239 HG2 LYS 34 2HG LYS 34 2.965 -3.755 4.013 240 HG3 LYS 34 3HG LYS 34 3.257 -3.530 5.754 241 HD2 LYS 34 2HD LYS 34 1.238 -4.907 6.265 242 HD3 LYS 34 3HD LYS 34 1.221 -5.356 4.542 243 HE2 LYS 34 2HE LYS 34 2.162 -7.089 5.727 244 HE3 LYS 34 3HE LYS 34 3.443 -6.331 4.759 245 HZ1 LYS 34 3HZ LYS 34 3.043 -6.022 7.715 246 HZ2 LYS 34 1HZ LYS 34 4.227 -5.257 6.840 247 HZ3 LYS 34 2HZ LYS 34 4.237 -6.859 7.010 248 H LYS 35 H LYS 35 -0.554 -3.625 5.909 249 HA LYS 35 HA LYS 35 -1.160 -6.056 4.706 250 HB2 LYS 35 2HB LYS 35 -1.082 -5.222 7.093 251 HB3 LYS 35 3HB LYS 35 -2.647 -4.613 6.961 252 HG2 LYS 35 2HG LYS 35 -2.848 -6.644 8.132 253 HG3 LYS 35 3HG LYS 35 -3.439 -6.965 6.546 254 HD2 LYS 35 2HD LYS 35 -2.207 -8.860 7.307 255 HD3 LYS 35 3HD LYS 35 -1.314 -8.137 5.939 256 HE2 LYS 35 2HE LYS 35 0.282 -7.182 7.327 257 HE3 LYS 35 3HE LYS 35 -0.897 -7.064 8.645 258 HZ1 LYS 35 3HZ LYS 35 0.372 -9.656 7.868 259 HZ2 LYS 35 1HZ LYS 35 -0.634 -9.333 9.162 260 HZ3 LYS 35 2HZ LYS 35 0.861 -8.724 9.116 261 H ALA 36 H ALA 36 -3.261 -3.282 4.978 262 HA ALA 36 HA ALA 36 -5.439 -4.356 3.385 263 HB1 ALA 36 1HB ALA 36 -4.758 -1.426 3.877 264 HB2 ALA 36 2HB ALA 36 -6.303 -2.072 3.279 265 HB3 ALA 36 3HB ALA 36 -5.768 -2.459 4.929 266 H ARG 37 H ARG 37 -2.600 -2.386 2.336 267 HA ARG 37 HA ARG 37 -3.149 -1.998 -0.449 268 HB2 ARG 37 2HB ARG 37 -0.829 -1.582 1.005 269 HB3 ARG 37 3HB ARG 37 -0.392 -3.110 0.440 270 HG2 ARG 37 2HG ARG 37 -1.571 -1.699 -1.728 271 HG3 ARG 37 3HG ARG 37 -0.451 -0.631 -0.969 272 HD2 ARG 37 2HD ARG 37 0.271 -1.973 -3.049 273 HD3 ARG 37 3HD ARG 37 1.200 -1.818 -1.623 274 HE ARG 37 HE ARG 37 0.427 -4.156 -1.061 275 HH11 ARG 37 1HH1 ARG 37 2.269 -2.638 -3.707 276 HH12 ARG 37 2HH1 ARG 37 3.698 -3.581 -3.337 277 HH21 ARG 37 1HH2 ARG 37 2.285 -5.506 -0.947 278 HH22 ARG 37 2HH2 ARG 37 3.680 -5.169 -1.958 279 H ASP 38 H ASP 38 -1.487 -4.649 1.113 280 HA ASP 38 HA ASP 38 -1.021 -5.955 -1.235 281 HB2 ASP 38 2HB ASP 38 -0.769 -6.448 1.679 282 HB3 ASP 38 3HB ASP 38 -0.766 -7.951 0.703 283 H ALA 39 H ALA 39 -3.642 -6.419 1.190 284 HA ALA 39 HA ALA 39 -5.047 -8.631 0.235 285 HB1 ALA 39 1HB ALA 39 -6.955 -7.590 1.376 286 HB2 ALA 39 2HB ALA 39 -5.481 -7.293 2.330 287 HB3 ALA 39 3HB ALA 39 -6.166 -6.001 1.298 288 H CYS 40 H CYS 40 -5.338 -5.205 -1.030 289 HA CYS 40 HA CYS 40 -7.295 -5.927 -3.031 290 HB2 CYS 40 2HB CYS 40 -6.643 -3.693 -2.095 291 HB3 CYS 40 3HB CYS 40 -5.146 -3.808 -2.958 292 H ILE 41 H ILE 41 -3.730 -5.633 -3.135 293 HA ILE 41 HA ILE 41 -3.325 -6.228 -5.887 294 HB ILE 41 HB ILE 41 -1.512 -6.501 -3.505 295 HG12 ILE 41 2HG1 ILE 41 -0.320 -4.665 -4.970 296 HG13 ILE 41 3HG1 ILE 41 -1.779 -4.447 -5.754 297 HG21 ILE 41 1HG2 ILE 41 0.358 -6.805 -5.154 298 HG22 ILE 41 2HG2 ILE 41 -0.714 -8.186 -5.074 299 HG23 ILE 41 3HG2 ILE 41 -0.854 -7.053 -6.432 300 HD11 ILE 41 3HD1 ILE 41 -2.939 -3.809 -3.779 301 HD12 ILE 41 1HD1 ILE 41 -1.423 -4.062 -2.870 302 HD13 ILE 41 2HD1 ILE 41 -1.538 -2.795 -4.114 303 H ILE 42 H ILE 42 -3.621 -8.390 -3.142 304 HA ILE 42 HA ILE 42 -3.180 -10.972 -4.194 305 HB ILE 42 HB ILE 42 -4.642 -9.635 -1.932 306 HG12 ILE 42 2HG1 ILE 42 -2.413 -11.675 -2.063 307 HG13 ILE 42 3HG1 ILE 42 -2.205 -9.924 -1.865 308 HG21 ILE 42 1HG2 ILE 42 -5.460 -11.659 -0.909 309 HG22 ILE 42 2HG2 ILE 42 -6.284 -11.265 -2.409 310 HG23 ILE 42 3HG2 ILE 42 -5.053 -12.573 -2.384 311 HD11 ILE 42 3HD1 ILE 42 -3.446 -11.855 0.150 312 HD12 ILE 42 1HD1 ILE 42 -1.889 -11.023 0.257 313 HD13 ILE 42 2HD1 ILE 42 -3.386 -10.085 0.339 314 H GLU 43 H GLU 43 -5.999 -8.932 -4.496 315 HA GLU 43 HA GLU 43 -7.760 -11.144 -5.335 316 HB2 GLU 43 2HB GLU 43 -7.844 -8.922 -3.622 317 HB3 GLU 43 3HB GLU 43 -8.721 -8.341 -4.954 318 HG2 GLU 43 2HG GLU 43 -9.538 -11.083 -4.107 319 HG3 GLU 43 3HG GLU 43 -9.459 -9.848 -2.848 320 H LYS 44 H LYS 44 -6.873 -7.892 -6.279 321 HA LYS 44 HA LYS 44 -7.673 -8.400 -9.141 322 HB2 LYS 44 2HB LYS 44 -7.277 -5.679 -7.846 323 HB3 LYS 44 3HB LYS 44 -8.073 -6.122 -9.377 324 HG2 LYS 44 2HG LYS 44 -9.529 -7.708 -7.878 325 HG3 LYS 44 3HG LYS 44 -9.010 -6.659 -6.541 326 HD2 LYS 44 2HD LYS 44 -9.898 -4.726 -7.692 327 HD3 LYS 44 3HD LYS 44 -10.372 -5.724 -9.084 328 HE2 LYS 44 2HE LYS 44 -11.378 -6.010 -6.208 329 HE3 LYS 44 3HE LYS 44 -12.327 -5.377 -7.577 330 HZ1 LYS 44 3HZ LYS 44 -11.744 -7.766 -8.535 331 HZ2 LYS 44 1HZ LYS 44 -12.996 -7.612 -7.471 332 HZ3 LYS 44 2HZ LYS 44 -11.559 -8.150 -6.939 333 H GLY 45 H GLY 45 -5.171 -6.350 -7.626 334 HA2 GLY 45 1HA GLY 45 -2.819 -7.431 -8.361 335 HA3 GLY 45 2HA GLY 45 -3.366 -6.866 -9.942 336 H GLU 46 H GLU 46 -1.040 -5.742 -9.096 337 HA GLU 46 HA GLU 46 -1.353 -3.356 -7.436 338 HB2 GLU 46 2HB GLU 46 0.717 -3.981 -9.613 339 HB3 GLU 46 3HB GLU 46 0.904 -2.841 -8.309 340 HG2 GLU 46 2HG GLU 46 2.034 -4.495 -7.302 341 HG3 GLU 46 3HG GLU 46 0.473 -5.148 -6.898 342 H GLU 47 H GLU 47 -1.615 -4.069 -10.865 343 HA GLU 47 HA GLU 47 -1.933 -1.438 -11.810 344 HB2 GLU 47 2HB GLU 47 -2.886 -2.570 -13.819 345 HB3 GLU 47 3HB GLU 47 -1.332 -3.205 -13.257 346 HG2 GLU 47 2HG GLU 47 -2.466 -5.135 -12.189 347 HG3 GLU 47 3HG GLU 47 -4.025 -4.500 -12.724 348 H HIS 48 H HIS 48 -4.123 -3.246 -9.866 349 HA HIS 48 HA HIS 48 -6.501 -1.653 -10.743 350 HB2 HIS 48 2HB HIS 48 -6.103 -4.469 -9.695 351 HB3 HIS 48 3HB HIS 48 -7.671 -3.699 -9.690 352 HD2 HIS 48 2HD HIS 48 -5.905 -6.022 -11.736 353 HE1 HIS 48 1HE HIS 48 -7.613 -3.506 -14.728 354 HE2 HIS 48 2HE HIS 48 -6.426 -5.718 -14.315 355 H CYS 49 H CYS 49 -4.196 -1.933 -8.476 356 HA CYS 49 HA CYS 49 -5.687 -0.854 -6.162 357 HB2 CYS 49 2HB CYS 49 -3.506 -2.945 -6.387 358 HB3 CYS 49 3HB CYS 49 -4.045 -2.418 -4.973 359 H GLY 50 H GLY 50 -3.958 0.568 -8.263 360 HA2 GLY 50 1HA GLY 50 -1.940 1.618 -6.341 361 HA3 GLY 50 2HA GLY 50 -1.633 1.701 -7.984 362 H HIS 51 H HIS 51 -4.972 2.335 -6.871 363 HA HIS 51 HA HIS 51 -4.381 4.999 -5.702 364 HB2 HIS 51 2HB HIS 51 -6.592 4.772 -4.711 365 HB3 HIS 51 3HB HIS 51 -6.650 4.601 -6.455 366 HD2 HIS 51 2HD HIS 51 -8.532 3.289 -3.842 367 HE1 HIS 51 1HE HIS 51 -7.938 -0.200 -6.204 368 HE2 HIS 51 2HE HIS 51 -9.394 0.868 -4.422 369 H LEU 52 H LEU 52 -4.926 1.588 -4.708 370 HA LEU 52 HA LEU 52 -4.239 1.999 -1.958 371 HB2 LEU 52 2HB LEU 52 -4.643 -0.425 -3.760 372 HB3 LEU 52 3HB LEU 52 -3.741 -0.784 -2.455 373 HG LEU 52 HG LEU 52 -6.565 -0.587 -2.797 374 HD11 LEU 52 1HD1 LEU 52 -5.103 -0.800 -0.129 375 HD12 LEU 52 2HD1 LEU 52 -5.340 -2.144 -1.240 376 HD13 LEU 52 3HD1 LEU 52 -6.745 -1.382 -0.477 377 HD21 LEU 52 3HD2 LEU 52 -7.440 0.849 -1.141 378 HD22 LEU 52 1HD2 LEU 52 -6.456 1.828 -2.290 379 HD23 LEU 52 2HD2 LEU 52 -5.813 1.427 -0.706 380 H ILE 53 H ILE 53 -2.047 1.352 -4.602 381 HA ILE 53 HA ILE 53 0.217 1.096 -2.871 382 HB ILE 53 HB ILE 53 0.019 2.073 -5.732 383 HG12 ILE 53 2HG1 ILE 53 1.327 -0.457 -4.967 384 HG13 ILE 53 3HG1 ILE 53 -0.361 -0.456 -4.537 385 HG21 ILE 53 1HG2 ILE 53 2.488 1.564 -5.810 386 HG22 ILE 53 2HG2 ILE 53 2.116 2.956 -4.785 387 HG23 ILE 53 3HG2 ILE 53 2.463 1.361 -4.050 388 HD11 ILE 53 3HD1 ILE 53 -0.809 -0.204 -7.010 389 HD12 ILE 53 1HD1 ILE 53 0.929 -0.019 -7.312 390 HD13 ILE 53 2HD1 ILE 53 0.259 -1.542 -6.688 391 H GLU 54 H GLU 54 -1.033 4.036 -4.477 392 HA GLU 54 HA GLU 54 1.011 5.792 -3.562 393 HB2 GLU 54 2HB GLU 54 -1.711 6.465 -4.538 394 HB3 GLU 54 3HB GLU 54 -0.406 7.579 -4.404 395 HG2 GLU 54 2HG GLU 54 -0.367 5.100 -6.232 396 HG3 GLU 54 3HG GLU 54 -0.915 6.745 -6.763 397 H ALA 55 H ALA 55 -2.333 5.169 -2.492 398 HA ALA 55 HA ALA 55 -2.392 7.184 -0.530 399 HB1 ALA 55 1HB ALA 55 -4.349 5.877 0.355 400 HB2 ALA 55 2HB ALA 55 -4.412 6.066 -1.410 401 HB3 ALA 55 3HB ALA 55 -3.900 4.520 -0.699 402 H HIS 56 H HIS 56 -1.284 3.814 -0.396 403 HA HIS 56 HA HIS 56 -0.595 3.885 2.470 404 HB2 HIS 56 2HB HIS 56 -0.277 1.710 0.343 405 HB3 HIS 56 3HB HIS 56 0.100 1.598 2.013 406 HD2 HIS 56 2HD HIS 56 -2.408 -0.057 0.578 407 HE1 HIS 56 1HE HIS 56 -4.982 2.526 2.773 408 HE2 HIS 56 2HE HIS 56 -4.840 0.307 1.519 409 H LYS 57 H LYS 57 1.045 4.316 -0.591 410 HA LYS 57 HA LYS 57 3.667 4.174 0.067 411 HB2 LYS 57 2HB LYS 57 2.146 4.651 -2.011 412 HB3 LYS 57 3HB LYS 57 2.546 6.252 -1.895 413 HG2 LYS 57 2HG LYS 57 5.055 5.305 -1.910 414 HG3 LYS 57 3HG LYS 57 4.212 3.812 -2.271 415 HD2 LYS 57 2HD LYS 57 3.047 5.020 -4.151 416 HD3 LYS 57 3HD LYS 57 4.202 6.394 -3.917 417 HE2 LYS 57 2HE LYS 57 6.060 4.798 -4.490 418 HE3 LYS 57 3HE LYS 57 4.893 3.491 -4.639 419 HZ1 LYS 57 3HZ LYS 57 3.781 5.193 -6.302 420 HZ2 LYS 57 1HZ LYS 57 5.018 4.224 -6.817 421 HZ3 LYS 57 2HZ LYS 57 5.300 5.786 -6.448 422 H GLU 58 H GLU 58 1.589 7.000 0.321 423 HA GLU 58 HA GLU 58 3.499 8.770 1.521 424 HB2 GLU 58 2HB GLU 58 2.068 10.126 2.520 425 HB3 GLU 58 3HB GLU 58 1.536 9.636 0.885 426 HG2 GLU 58 2HG GLU 58 -0.286 9.283 1.742 427 HG3 GLU 58 3HG GLU 58 0.233 7.766 2.422 428 H CYS 59 H CYS 59 1.566 6.361 3.148 429 HA CYS 59 HA CYS 59 2.287 6.852 5.798 430 HB2 CYS 59 2HB CYS 59 0.378 5.529 4.884 431 HB3 CYS 59 3HB CYS 59 1.389 4.134 4.609 432 H MET 60 H MET 60 3.671 4.459 3.536 433 HA MET 60 HA MET 60 5.888 3.656 5.197 434 HB2 MET 60 2HB MET 60 5.443 3.681 2.175 435 HB3 MET 60 3HB MET 60 6.888 3.030 2.950 436 HG2 MET 60 2HG MET 60 5.427 1.519 4.325 437 HG3 MET 60 3HG MET 60 4.027 2.111 3.428 438 HE1 MET 60 3HE MET 60 4.261 -1.514 2.141 439 HE2 MET 60 1HE MET 60 4.563 -0.908 3.785 440 HE3 MET 60 2HE MET 60 3.228 -0.236 2.821 441 H ARG 61 H ARG 61 5.716 6.366 2.727 442 HA ARG 61 HA ARG 61 8.522 6.949 3.020 443 HB2 ARG 61 2HB ARG 61 8.227 8.499 1.493 444 HB3 ARG 61 3HB ARG 61 6.607 7.823 1.310 445 HG2 ARG 61 2HG ARG 61 5.758 9.658 2.809 446 HG3 ARG 61 3HG ARG 61 7.424 10.267 2.900 447 HD2 ARG 61 2HD ARG 61 7.386 10.415 0.341 448 HD3 ARG 61 3HD ARG 61 5.663 10.043 0.417 449 HE ARG 61 HE ARG 61 5.206 12.164 1.307 450 HH11 ARG 61 1HH1 ARG 61 8.687 11.914 0.840 451 HH12 ARG 61 2HH1 ARG 61 8.936 13.555 1.352 452 HH21 ARG 61 1HH2 ARG 61 5.680 14.202 2.100 453 HH22 ARG 61 2HH2 ARG 61 7.322 14.738 2.220 454 H ALA 62 H ALA 62 5.798 8.186 4.903 455 HA ALA 62 HA ALA 62 7.188 10.031 6.518 456 HB1 ALA 62 1HB ALA 62 4.882 8.192 7.271 457 HB2 ALA 62 2HB ALA 62 5.344 9.689 8.106 458 HB3 ALA 62 3HB ALA 62 4.736 9.757 6.440 459 H LEU 63 H LEU 63 7.531 6.549 6.559 460 HA LEU 63 HA LEU 63 8.697 6.352 9.228 461 HB2 LEU 63 2HB LEU 63 8.888 4.499 6.821 462 HB3 LEU 63 3HB LEU 63 9.311 4.093 8.444 463 HG LEU 63 HG LEU 63 6.553 4.602 7.272 464 HD11 LEU 63 1HD1 LEU 63 7.245 2.440 6.864 465 HD12 LEU 63 2HD1 LEU 63 5.977 2.402 8.067 466 HD13 LEU 63 3HD1 LEU 63 7.670 2.161 8.586 467 HD21 LEU 63 3HD2 LEU 63 6.553 5.632 9.495 468 HD22 LEU 63 1HD2 LEU 63 7.226 4.119 10.180 469 HD23 LEU 63 2HD2 LEU 63 5.581 4.163 9.468 470 H GLY 64 H GLY 64 9.942 7.552 6.270 471 HA2 GLY 64 1HA GLY 64 12.075 8.061 5.646 472 HA3 GLY 64 2HA GLY 64 12.775 7.271 7.076 473 H PHE 65 H PHE 65 10.510 5.936 4.705 474 HA PHE 65 HA PHE 65 12.355 3.740 3.954 475 HB2 PHE 65 2HB PHE 65 9.423 4.312 3.553 476 HB3 PHE 65 3HB PHE 65 10.182 3.045 2.676 477 HD1 PHE 65 1HD PHE 65 11.200 3.441 6.253 478 HD2 PHE 65 2HD PHE 65 8.469 1.578 3.469 479 HE1 PHE 65 1HE PHE 65 10.556 1.837 7.953 480 HE2 PHE 65 2HE PHE 65 7.717 0.058 5.250 481 HZ PHE 65 HZ PHE 65 8.756 0.177 7.501 482 H LYS 66 H LYS 66 11.611 3.106 1.514 483 HA LYS 66 HA LYS 66 13.432 4.841 0.067 484 HB2 LYS 66 2HB LYS 66 12.445 2.119 -0.843 485 HB3 LYS 66 3HB LYS 66 13.977 2.913 -1.132 486 HG2 LYS 66 2HG LYS 66 14.703 1.370 0.352 487 HG3 LYS 66 3HG LYS 66 14.278 2.628 1.526 488 HD2 LYS 66 2HD LYS 66 12.436 1.426 2.335 489 HD3 LYS 66 3HD LYS 66 12.171 0.616 0.798 490 HE2 LYS 66 2HE LYS 66 12.846 -1.120 2.153 491 HE3 LYS 66 3HE LYS 66 14.273 -0.741 1.208 492 HZ1 LYS 66 3HZ LYS 66 15.174 0.427 3.199 493 HZ2 LYS 66 1HZ LYS 66 14.763 -1.136 3.567 494 HZ3 LYS 66 2HZ LYS 66 13.840 0.069 4.053 495 H ILE 67 H ILE 67 11.041 6.167 0.072 496 HA ILE 67 HA ILE 67 9.537 5.476 -2.420 497 HB ILE 67 HB ILE 67 8.689 6.933 0.086 498 HG12 ILE 67 2HG1 ILE 67 6.900 5.225 0.214 499 HG13 ILE 67 3HG1 ILE 67 7.564 4.404 -1.205 500 HG21 ILE 67 1HG2 ILE 67 6.381 7.034 -0.946 501 HG22 ILE 67 2HG2 ILE 67 7.551 8.080 -1.771 502 HG23 ILE 67 3HG2 ILE 67 7.067 6.508 -2.479 503 HD11 ILE 67 3HD1 ILE 67 8.039 3.364 1.029 504 HD12 ILE 67 1HD1 ILE 67 9.456 3.641 0.026 505 HD13 ILE 67 2HD1 ILE 67 9.081 4.766 1.369 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 12.708 -4.045 -4.744 2 H2 GLY 1 H2 GLY 1 11.996 -5.538 -4.730 3 H3 GLY 1 H3 GLY 1 11.211 -4.252 -5.392 4 HA2 GLY 1 2HA GLY 1 13.785 -5.155 -6.441 5 HA3 GLY 1 1HA GLY 1 12.234 -5.816 -7.023 6 H SER 2 H SER 2 14.234 -4.194 -8.490 7 HA SER 2 HA SER 2 12.420 -2.119 -9.586 8 HB2 SER 2 2HB SER 2 15.335 -1.600 -8.840 9 HB3 SER 2 3HB SER 2 14.282 -0.497 -9.737 10 HG SER 2 HG SER 2 14.392 -0.003 -7.473 11 H PHE 3 H PHE 3 12.966 -1.553 -11.799 12 HA PHE 3 HA PHE 3 13.393 -2.026 -13.951 13 HB2 PHE 3 2HB PHE 3 15.971 -2.347 -12.655 14 HB3 PHE 3 3HB PHE 3 15.862 -3.416 -14.016 15 HD1 PHE 3 1HD PHE 3 15.656 0.138 -12.941 16 HD2 PHE 3 2HD PHE 3 15.885 -2.557 -16.301 17 HE1 PHE 3 1HE PHE 3 16.227 2.044 -14.440 18 HE2 PHE 3 2HE PHE 3 16.421 -0.646 -17.796 19 HZ PHE 3 HZ PHE 3 16.618 1.646 -16.866 20 H THR 4 H THR 4 14.340 -4.032 -15.529 21 HA THR 4 HA THR 4 12.383 -6.197 -15.044 22 HB THR 4 HB THR 4 12.956 -6.969 -17.281 23 HG1 THR 4 1HG THR 4 14.395 -5.949 -18.493 24 HG21 THR 4 1HG2 THR 4 11.117 -5.330 -17.012 25 HG22 THR 4 2HG2 THR 4 11.951 -5.152 -18.565 26 HG23 THR 4 3HG2 THR 4 12.275 -3.999 -17.253 27 H MET 5 H MET 5 13.036 -8.450 -15.569 28 HA MET 5 HA MET 5 15.717 -9.184 -14.488 29 HB2 MET 5 2HB MET 5 13.036 -10.112 -13.394 30 HB3 MET 5 3HB MET 5 14.613 -10.792 -12.967 31 HG2 MET 5 2HG MET 5 15.346 -8.551 -12.165 32 HG3 MET 5 3HG MET 5 13.721 -7.932 -12.447 33 HE1 MET 5 3HE MET 5 11.560 -9.674 -9.729 34 HE2 MET 5 1HE MET 5 11.639 -8.440 -11.004 35 HE3 MET 5 2HE MET 5 11.719 -10.168 -11.425 36 HA PRO 6 HA PRO 6 14.450 -11.831 -18.099 37 HB2 PRO 6 2HB PRO 6 16.725 -11.626 -19.623 38 HB3 PRO 6 3HB PRO 6 15.417 -10.411 -19.618 39 HG2 PRO 6 2HG PRO 6 18.004 -10.367 -18.024 40 HG3 PRO 6 3HG PRO 6 17.308 -9.063 -19.043 41 HD2 PRO 6 2HD PRO 6 16.942 -9.114 -16.352 42 HD3 PRO 6 3HD PRO 6 15.635 -8.582 -17.449 43 H GLY 7 H GLY 7 16.584 -12.288 -15.570 44 HA2 GLY 7 1HA GLY 7 17.818 -14.816 -16.502 45 HA3 GLY 7 2HA GLY 7 18.097 -14.003 -14.961 46 H LEU 8 H LEU 8 14.798 -14.311 -15.736 47 HA LEU 8 HA LEU 8 14.360 -16.997 -14.698 48 HB2 LEU 8 2HB LEU 8 12.297 -15.839 -13.414 49 HB3 LEU 8 3HB LEU 8 13.802 -16.271 -12.595 50 HG LEU 8 HG LEU 8 13.235 -13.466 -13.641 51 HD11 LEU 8 1HD1 LEU 8 12.554 -14.657 -10.923 52 HD12 LEU 8 2HD1 LEU 8 11.416 -14.040 -12.142 53 HD13 LEU 8 3HD1 LEU 8 12.507 -12.932 -11.321 54 HD21 LEU 8 3HD2 LEU 8 14.780 -12.819 -11.749 55 HD22 LEU 8 1HD2 LEU 8 15.612 -13.850 -12.893 56 HD23 LEU 8 2HD2 LEU 8 15.022 -14.533 -11.371 57 H VAL 9 H VAL 9 12.094 -17.597 -15.061 58 HA VAL 9 HA VAL 9 10.566 -15.242 -15.710 59 HB VAL 9 HB VAL 9 9.593 -17.833 -16.958 60 HG11 VAL 9 1HG1 VAL 9 8.689 -14.942 -16.715 61 HG12 VAL 9 2HG1 VAL 9 7.919 -16.111 -17.853 62 HG13 VAL 9 3HG1 VAL 9 7.876 -16.377 -16.093 63 HG21 VAL 9 3HG2 VAL 9 10.725 -15.340 -18.318 64 HG22 VAL 9 1HG2 VAL 9 11.461 -16.956 -18.335 65 HG23 VAL 9 2HG2 VAL 9 9.907 -16.692 -19.136 66 H ASP 10 H ASP 10 10.058 -14.897 -13.707 67 HA ASP 10 HA ASP 10 9.262 -15.210 -11.573 68 HB2 ASP 10 2HB ASP 10 7.595 -14.315 -13.188 69 HB3 ASP 10 3HB ASP 10 6.867 -15.908 -13.274 70 H SER 11 H SER 11 10.628 -17.081 -11.033 71 HA SER 11 HA SER 11 9.083 -19.555 -10.402 72 HB2 SER 11 2HB SER 11 9.868 -19.832 -12.679 73 HB3 SER 11 3HB SER 11 11.519 -19.379 -12.223 74 HG SER 11 HG SER 11 11.726 -21.246 -11.104 75 H ASN 12 H ASN 12 9.394 -19.129 -8.178 76 HA ASN 12 HA ASN 12 12.204 -19.252 -7.177 77 HB2 ASN 12 2HB ASN 12 9.964 -17.420 -6.298 78 HB3 ASN 12 3HB ASN 12 11.427 -17.658 -5.354 79 HD21 ASN 12 1HD2 ASN 12 13.549 -17.542 -6.776 80 HD22 ASN 12 2HD2 ASN 12 13.537 -16.316 -8.007 81 HA PRO 13 HA PRO 13 10.834 -22.584 -4.806 82 HB2 PRO 13 2HB PRO 13 12.591 -22.711 -2.740 83 HB3 PRO 13 3HB PRO 13 13.103 -22.778 -4.445 84 HG2 PRO 13 2HG PRO 13 13.341 -20.499 -2.519 85 HG3 PRO 13 3HG PRO 13 14.370 -20.928 -3.920 86 HD2 PRO 13 2HD PRO 13 12.197 -19.036 -3.783 87 HD3 PRO 13 3HD PRO 13 13.146 -19.445 -5.228 88 H ALA 14 H ALA 14 9.016 -23.006 -3.698 89 HA ALA 14 HA ALA 14 8.612 -21.981 -0.979 90 HB1 ALA 14 1HB ALA 14 6.500 -20.881 -1.466 91 HB2 ALA 14 2HB ALA 14 7.831 -20.132 -2.377 92 HB3 ALA 14 3HB ALA 14 6.705 -21.216 -3.209 93 HA PRO 15 HA PRO 15 6.799 -26.215 -1.412 94 HB2 PRO 15 2HB PRO 15 7.190 -27.006 1.191 95 HB3 PRO 15 3HB PRO 15 8.487 -27.036 -0.040 96 HG2 PRO 15 2HG PRO 15 7.925 -24.903 2.036 97 HG3 PRO 15 3HG PRO 15 9.491 -25.690 1.653 98 HD2 PRO 15 2HD PRO 15 8.761 -23.269 0.636 99 HD3 PRO 15 3HD PRO 15 9.739 -24.422 -0.320 100 HA PRO 16 HA PRO 16 2.811 -25.076 0.272 101 HB2 PRO 16 2HB PRO 16 1.575 -27.433 0.898 102 HB3 PRO 16 3HB PRO 16 2.038 -26.949 -0.747 103 HG2 PRO 16 2HG PRO 16 3.613 -28.713 1.151 104 HG3 PRO 16 3HG PRO 16 3.121 -29.082 -0.535 105 HD2 PRO 16 2HD PRO 16 5.574 -28.075 0.036 106 HD3 PRO 16 3HD PRO 16 4.687 -27.550 -1.426 107 H GLU 17 H GLU 17 4.875 -24.713 2.134 108 HA GLU 17 HA GLU 17 3.606 -25.024 4.805 109 HB2 GLU 17 2HB GLU 17 5.218 -26.714 4.737 110 HB3 GLU 17 3HB GLU 17 6.360 -25.545 4.076 111 HG2 GLU 17 2HG GLU 17 6.311 -24.275 6.272 112 HG3 GLU 17 3HG GLU 17 5.199 -25.493 6.877 113 H SER 18 H SER 18 2.829 -22.788 4.673 114 HA SER 18 HA SER 18 4.863 -21.068 5.792 115 HB2 SER 18 2HB SER 18 3.587 -19.845 3.498 116 HB3 SER 18 3HB SER 18 4.812 -19.209 4.611 117 HG SER 18 HG SER 18 5.753 -21.429 3.548 118 H GLN 19 H GLN 19 1.390 -21.138 4.788 119 HA GLN 19 HA GLN 19 -0.442 -20.536 5.925 120 HB2 GLN 19 2HB GLN 19 0.603 -22.117 7.418 121 HB3 GLN 19 3HB GLN 19 1.401 -20.791 8.264 122 HG2 GLN 19 2HG GLN 19 -0.725 -20.073 9.196 123 HG3 GLN 19 3HG GLN 19 -1.623 -21.067 8.036 124 HE21 GLN 19 1HE2 GLN 19 -2.774 -21.691 10.130 125 HE22 GLN 19 2HE2 GLN 19 -2.020 -22.938 11.093 126 H GLU 20 H GLU 20 -1.524 -19.061 7.602 127 HA GLU 20 HA GLU 20 -0.754 -16.234 7.364 128 HB2 GLU 20 2HB GLU 20 -2.902 -15.772 8.387 129 HB3 GLU 20 3HB GLU 20 -3.073 -16.808 6.990 130 HG2 GLU 20 2HG GLU 20 -3.382 -18.785 8.481 131 HG3 GLU 20 3HG GLU 20 -3.224 -17.727 9.890 132 H LYS 21 H LYS 21 -1.773 -15.469 9.929 133 HA LYS 21 HA LYS 21 -0.666 -14.722 11.886 134 HB2 LYS 21 2HB LYS 21 -2.726 -16.192 11.959 135 HB3 LYS 21 3HB LYS 21 -1.710 -17.483 12.561 136 HG2 LYS 21 2HG LYS 21 -1.841 -14.746 13.936 137 HG3 LYS 21 3HG LYS 21 -3.115 -15.929 14.126 138 HD2 LYS 21 2HD LYS 21 -1.995 -16.475 15.964 139 HD3 LYS 21 3HD LYS 21 -1.137 -17.553 14.865 140 HE2 LYS 21 2HE LYS 21 0.717 -15.949 14.708 141 HE3 LYS 21 3HE LYS 21 -0.194 -14.750 15.641 142 HZ1 LYS 21 3HZ LYS 21 -0.116 -16.215 17.534 143 HZ2 LYS 21 1HZ LYS 21 1.406 -15.946 17.015 144 HZ3 LYS 21 2HZ LYS 21 0.672 -17.390 16.688 145 H LYS 22 H LYS 22 1.585 -14.694 11.292 146 HA LYS 22 HA LYS 22 3.224 -16.479 13.014 147 HB2 LYS 22 2HB LYS 22 4.890 -16.670 11.170 148 HB3 LYS 22 3HB LYS 22 3.329 -17.400 10.850 149 HG2 LYS 22 2HG LYS 22 2.745 -15.232 9.541 150 HG3 LYS 22 3HG LYS 22 4.471 -14.843 9.658 151 HD2 LYS 22 2HD LYS 22 5.033 -16.928 8.473 152 HD3 LYS 22 3HD LYS 22 3.338 -17.454 8.555 153 HE2 LYS 22 2HE LYS 22 2.719 -15.388 7.220 154 HE3 LYS 22 3HE LYS 22 4.457 -15.118 6.952 155 HZ1 LYS 22 3HZ LYS 22 2.966 -17.581 6.260 156 HZ2 LYS 22 1HZ LYS 22 4.565 -17.322 5.961 157 HZ3 LYS 22 2HZ LYS 22 3.421 -16.432 5.153 158 HA PRO 23 HA PRO 23 4.869 -12.956 14.709 159 HB2 PRO 23 2HB PRO 23 7.264 -13.681 15.782 160 HB3 PRO 23 3HB PRO 23 5.714 -14.451 16.234 161 HG2 PRO 23 2HG PRO 23 7.727 -15.439 14.177 162 HG3 PRO 23 3HG PRO 23 7.013 -16.351 15.549 163 HD2 PRO 23 2HD PRO 23 5.984 -16.510 13.050 164 HD3 PRO 23 3HD PRO 23 4.916 -16.497 14.485 165 H LEU 24 H LEU 24 4.957 -11.547 12.851 166 HA LEU 24 HA LEU 24 7.716 -10.528 12.417 167 HB2 LEU 24 2HB LEU 24 6.999 -11.852 10.488 168 HB3 LEU 24 3HB LEU 24 5.596 -10.821 10.258 169 HG LEU 24 HG LEU 24 8.330 -9.520 10.353 170 HD11 LEU 24 1HD1 LEU 24 8.697 -11.460 8.899 171 HD12 LEU 24 2HD1 LEU 24 8.668 -9.969 7.948 172 HD13 LEU 24 3HD1 LEU 24 7.251 -11.048 7.945 173 HD21 LEU 24 3HD2 LEU 24 6.237 -8.149 10.021 174 HD22 LEU 24 1HD2 LEU 24 5.916 -9.055 8.535 175 HD23 LEU 24 2HD2 LEU 24 7.369 -8.040 8.663 176 H LYS 25 H LYS 25 7.807 -8.665 13.453 177 HA LYS 25 HA LYS 25 5.832 -6.551 12.946 178 HB2 LYS 25 2HB LYS 25 5.497 -6.067 15.368 179 HB3 LYS 25 3HB LYS 25 4.689 -7.481 14.719 180 HG2 LYS 25 2HG LYS 25 6.343 -8.983 15.751 181 HG3 LYS 25 3HG LYS 25 7.229 -7.589 16.397 182 HD2 LYS 25 2HD LYS 25 5.358 -6.967 17.818 183 HD3 LYS 25 3HD LYS 25 4.286 -8.102 16.986 184 HE2 LYS 25 2HE LYS 25 4.809 -9.077 19.072 185 HE3 LYS 25 3HE LYS 25 5.628 -10.013 17.825 186 HZ1 LYS 25 3HZ LYS 25 6.922 -7.966 19.556 187 HZ2 LYS 25 1HZ LYS 25 7.702 -8.877 18.414 188 HZ3 LYS 25 2HZ LYS 25 7.044 -9.595 19.736 189 HA PRO 26 HA PRO 26 10.239 -5.049 13.282 190 HB2 PRO 26 2HB PRO 26 10.667 -4.197 10.741 191 HB3 PRO 26 3HB PRO 26 10.773 -5.923 11.197 192 HG2 PRO 26 2HG PRO 26 8.389 -4.483 9.983 193 HG3 PRO 26 3HG PRO 26 9.162 -6.007 9.429 194 HD2 PRO 26 2HD PRO 26 6.962 -6.000 11.048 195 HD3 PRO 26 3HD PRO 26 8.254 -7.229 11.209 196 H CYS 27 H CYS 27 8.785 -3.734 14.669 197 HA CYS 27 HA CYS 27 7.885 -1.861 15.485 198 HB2 CYS 27 2HB CYS 27 10.296 -1.145 14.790 199 HB3 CYS 27 3HB CYS 27 9.490 -0.188 13.543 200 HG CYS 27 HG CYS 27 8.991 -0.207 16.847 201 H CYS 28 H CYS 28 7.241 0.635 14.312 202 HA CYS 28 HA CYS 28 4.550 -0.065 13.577 203 HB2 CYS 28 2HB CYS 28 5.932 2.622 13.960 204 HB3 CYS 28 3HB CYS 28 4.183 2.375 13.853 205 HG CYS 28 HG CYS 28 4.970 2.806 16.387 206 H ALA 29 H ALA 29 5.897 -1.000 11.443 207 HA ALA 29 HA ALA 29 6.354 0.690 9.239 208 HB1 ALA 29 1HB ALA 29 6.388 -1.393 7.992 209 HB2 ALA 29 2HB ALA 29 7.141 -1.671 9.591 210 HB3 ALA 29 3HB ALA 29 5.459 -2.204 9.264 211 H CYS 30 H CYS 30 3.681 1.497 10.169 212 HA CYS 30 HA CYS 30 1.409 1.574 9.604 213 HB2 CYS 30 2HB CYS 30 2.739 1.614 6.920 214 HB3 CYS 30 3HB CYS 30 1.117 2.091 7.318 215 HA PRO 31 HA PRO 31 0.923 -3.231 8.471 216 HB2 PRO 31 2HB PRO 31 -0.602 -3.494 10.748 217 HB3 PRO 31 3HB PRO 31 1.137 -3.886 10.676 218 HG2 PRO 31 2HG PRO 31 -0.171 -1.355 11.698 219 HG3 PRO 31 3HG PRO 31 1.155 -2.301 12.449 220 HD2 PRO 31 2HD PRO 31 1.723 -0.078 10.998 221 HD3 PRO 31 3HD PRO 31 2.720 -1.555 10.808 222 H GLU 32 H GLU 32 -1.539 -0.936 9.932 223 HA GLU 32 HA GLU 32 -3.594 -2.225 8.520 224 HB2 GLU 32 2HB GLU 32 -4.606 0.200 8.213 225 HB3 GLU 32 3HB GLU 32 -4.605 -0.605 9.710 226 HG2 GLU 32 2HG GLU 32 -2.738 0.780 10.541 227 HG3 GLU 32 3HG GLU 32 -2.490 1.460 8.938 228 H THR 33 H THR 33 -1.576 0.410 7.321 229 HA THR 33 HA THR 33 -3.085 0.558 4.965 230 HB THR 33 HB THR 33 -1.312 2.103 4.120 231 HG1 THR 33 1HG THR 33 0.205 1.037 6.190 232 HG21 THR 33 1HG2 THR 33 -1.642 2.637 7.072 233 HG22 THR 33 2HG2 THR 33 -2.971 2.824 5.903 234 HG23 THR 33 3HG2 THR 33 -1.508 3.789 5.725 235 H LYS 34 H LYS 34 0.216 -0.721 5.441 236 HA LYS 34 HA LYS 34 0.880 -1.908 2.960 237 HB2 LYS 34 2HB LYS 34 2.361 -1.528 4.877 238 HB3 LYS 34 3HB LYS 34 1.356 -2.454 5.942 239 HG2 LYS 34 2HG LYS 34 3.119 -3.687 3.803 240 HG3 LYS 34 3HG LYS 34 3.416 -3.366 5.523 241 HD2 LYS 34 2HD LYS 34 2.959 -5.435 5.930 242 HD3 LYS 34 3HD LYS 34 1.319 -4.808 5.944 243 HE2 LYS 34 2HE LYS 34 1.323 -6.875 4.688 244 HE3 LYS 34 3HE LYS 34 1.054 -5.544 3.565 245 HZ1 LYS 34 3HZ LYS 34 2.565 -6.739 2.492 246 HZ2 LYS 34 1HZ LYS 34 3.502 -7.168 3.781 247 HZ3 LYS 34 2HZ LYS 34 3.540 -5.634 3.136 248 H LYS 35 H LYS 35 -0.458 -3.516 5.720 249 HA LYS 35 HA LYS 35 -1.259 -6.000 4.616 250 HB2 LYS 35 2HB LYS 35 -1.215 -5.164 7.010 251 HB3 LYS 35 3HB LYS 35 -2.644 -4.283 6.731 252 HG2 LYS 35 2HG LYS 35 -3.635 -6.039 7.662 253 HG3 LYS 35 3HG LYS 35 -3.572 -6.644 6.026 254 HD2 LYS 35 2HD LYS 35 -1.596 -7.348 8.228 255 HD3 LYS 35 3HD LYS 35 -3.021 -8.294 7.801 256 HE2 LYS 35 2HE LYS 35 -2.019 -8.503 5.436 257 HE3 LYS 35 3HE LYS 35 -0.514 -7.879 6.125 258 HZ1 LYS 35 3HZ LYS 35 -1.944 -10.405 6.792 259 HZ2 LYS 35 1HZ LYS 35 -0.851 -9.801 7.839 260 HZ3 LYS 35 2HZ LYS 35 -0.409 -10.247 6.292 261 H ALA 36 H ALA 36 -3.298 -3.111 4.920 262 HA ALA 36 HA ALA 36 -5.476 -4.165 3.360 263 HB1 ALA 36 1HB ALA 36 -5.802 -2.333 4.929 264 HB2 ALA 36 2HB ALA 36 -4.829 -1.248 3.901 265 HB3 ALA 36 3HB ALA 36 -6.376 -1.901 3.315 266 H ARG 37 H ARG 37 -2.650 -2.294 2.223 267 HA ARG 37 HA ARG 37 -3.232 -2.011 -0.593 268 HB2 ARG 37 2HB ARG 37 -0.925 -1.602 0.904 269 HB3 ARG 37 3HB ARG 37 -0.503 -3.127 0.342 270 HG2 ARG 37 2HG ARG 37 -1.623 -1.512 -1.809 271 HG3 ARG 37 3HG ARG 37 -0.315 -0.704 -1.020 272 HD2 ARG 37 2HD ARG 37 0.255 -2.054 -3.076 273 HD3 ARG 37 3HD ARG 37 1.159 -2.237 -1.587 274 HE ARG 37 HE ARG 37 -0.356 -4.353 -1.390 275 HH11 ARG 37 1HH1 ARG 37 2.141 -3.164 -3.672 276 HH12 ARG 37 2HH1 ARG 37 3.040 -4.651 -3.477 277 HH21 ARG 37 1HH2 ARG 37 0.986 -6.384 -1.581 278 HH22 ARG 37 2HH2 ARG 37 2.186 -6.378 -2.823 279 H ASP 38 H ASP 38 -1.727 -4.605 1.221 280 HA ASP 38 HA ASP 38 -1.243 -6.171 -0.968 281 HB2 ASP 38 2HB ASP 38 -1.133 -6.368 1.975 282 HB3 ASP 38 3HB ASP 38 -1.405 -7.970 1.237 283 H ALA 39 H ALA 39 -4.063 -6.219 1.297 284 HA ALA 39 HA ALA 39 -5.535 -8.410 0.331 285 HB1 ALA 39 1HB ALA 39 -7.453 -7.185 1.320 286 HB2 ALA 39 2HB ALA 39 -6.025 -6.978 2.365 287 HB3 ALA 39 3HB ALA 39 -6.531 -5.670 1.260 288 H CYS 40 H CYS 40 -5.467 -5.064 -1.098 289 HA CYS 40 HA CYS 40 -7.419 -5.754 -3.167 290 HB2 CYS 40 2HB CYS 40 -6.791 -3.533 -2.254 291 HB3 CYS 40 3HB CYS 40 -5.242 -3.645 -3.007 292 H ILE 41 H ILE 41 -3.879 -5.672 -2.924 293 HA ILE 41 HA ILE 41 -3.309 -6.378 -5.650 294 HB ILE 41 HB ILE 41 -1.649 -6.376 -3.138 295 HG12 ILE 41 2HG1 ILE 41 -0.442 -4.638 -4.637 296 HG13 ILE 41 3HG1 ILE 41 -1.689 -4.810 -5.735 297 HG21 ILE 41 1HG2 ILE 41 -0.795 -7.290 -5.925 298 HG22 ILE 41 2HG2 ILE 41 0.324 -6.805 -4.642 299 HG23 ILE 41 3HG2 ILE 41 -0.698 -8.217 -4.406 300 HD11 ILE 41 3HD1 ILE 41 -1.971 -2.789 -4.588 301 HD12 ILE 41 1HD1 ILE 41 -3.295 -3.873 -4.088 302 HD13 ILE 41 2HD1 ILE 41 -1.913 -3.583 -3.045 303 H ILE 42 H ILE 42 -3.829 -8.468 -2.850 304 HA ILE 42 HA ILE 42 -3.308 -11.040 -3.875 305 HB ILE 42 HB ILE 42 -5.224 -9.862 -1.835 306 HG12 ILE 42 2HG1 ILE 42 -2.853 -11.750 -1.543 307 HG13 ILE 42 3HG1 ILE 42 -2.654 -10.016 -1.514 308 HG21 ILE 42 1HG2 ILE 42 -4.984 -12.839 -2.412 309 HG22 ILE 42 2HG2 ILE 42 -5.764 -12.124 -0.984 310 HG23 ILE 42 3HG2 ILE 42 -6.437 -11.825 -2.570 311 HD11 ILE 42 3HD1 ILE 42 -4.081 -9.925 0.539 312 HD12 ILE 42 1HD1 ILE 42 -4.178 -11.702 0.523 313 HD13 ILE 42 2HD1 ILE 42 -2.617 -10.894 0.730 314 H GLU 43 H GLU 43 -6.026 -8.960 -4.511 315 HA GLU 43 HA GLU 43 -7.677 -11.084 -5.571 316 HB2 GLU 43 2HB GLU 43 -7.770 -9.457 -3.511 317 HB3 GLU 43 3HB GLU 43 -8.247 -8.230 -4.656 318 HG2 GLU 43 2HG GLU 43 -9.684 -10.869 -4.152 319 HG3 GLU 43 3HG GLU 43 -9.875 -9.321 -3.311 320 H LYS 44 H LYS 44 -6.842 -7.657 -6.402 321 HA LYS 44 HA LYS 44 -7.576 -8.142 -9.281 322 HB2 LYS 44 2HB LYS 44 -7.081 -5.500 -7.870 323 HB3 LYS 44 3HB LYS 44 -7.747 -5.771 -9.476 324 HG2 LYS 44 2HG LYS 44 -9.104 -6.456 -6.840 325 HG3 LYS 44 3HG LYS 44 -9.523 -5.169 -7.966 326 HD2 LYS 44 2HD LYS 44 -9.875 -6.960 -9.750 327 HD3 LYS 44 3HD LYS 44 -9.627 -8.160 -8.471 328 HE2 LYS 44 2HE LYS 44 -11.517 -6.474 -7.359 329 HE3 LYS 44 3HE LYS 44 -11.997 -6.510 -9.064 330 HZ1 LYS 44 3HZ LYS 44 -11.881 -9.042 -8.798 331 HZ2 LYS 44 1HZ LYS 44 -13.068 -8.297 -7.879 332 HZ3 LYS 44 2HZ LYS 44 -11.674 -8.795 -7.202 333 H GLY 45 H GLY 45 -4.934 -7.096 -7.273 334 HA2 GLY 45 1HA GLY 45 -2.611 -7.567 -7.958 335 HA3 GLY 45 2HA GLY 45 -3.071 -7.299 -9.635 336 H GLU 46 H GLU 46 -0.855 -5.938 -8.766 337 HA GLU 46 HA GLU 46 -1.308 -3.536 -7.254 338 HB2 GLU 46 2HB GLU 46 1.029 -4.048 -9.137 339 HB3 GLU 46 3HB GLU 46 0.972 -3.050 -7.696 340 HG2 GLU 46 2HG GLU 46 0.613 -5.251 -6.397 341 HG3 GLU 46 3HG GLU 46 1.038 -6.089 -7.873 342 H GLU 47 H GLU 47 -1.210 -4.227 -10.736 343 HA GLU 47 HA GLU 47 -1.285 -1.598 -11.581 344 HB2 GLU 47 2HB GLU 47 -2.054 -2.486 -13.736 345 HB3 GLU 47 3HB GLU 47 -0.699 -3.392 -13.065 346 HG2 GLU 47 2HG GLU 47 -2.065 -5.247 -12.488 347 HG3 GLU 47 3HG GLU 47 -3.541 -4.326 -12.665 348 H HIS 48 H HIS 48 -3.829 -3.257 -10.007 349 HA HIS 48 HA HIS 48 -6.015 -1.540 -11.131 350 HB2 HIS 48 2HB HIS 48 -5.871 -4.320 -9.905 351 HB3 HIS 48 3HB HIS 48 -7.384 -3.461 -9.969 352 HD2 HIS 48 2HD HIS 48 -5.372 -5.769 -11.914 353 HE1 HIS 48 1HE HIS 48 -7.531 -3.706 -14.949 354 HE2 HIS 48 2HE HIS 48 -5.918 -5.627 -14.475 355 H CYS 49 H CYS 49 -3.900 -1.904 -8.641 356 HA CYS 49 HA CYS 49 -5.569 -0.769 -6.472 357 HB2 CYS 49 2HB CYS 49 -3.521 -3.004 -6.493 358 HB3 CYS 49 3HB CYS 49 -4.143 -2.360 -5.140 359 H GLY 50 H GLY 50 -3.506 0.607 -8.318 360 HA2 GLY 50 1HA GLY 50 -1.481 1.199 -6.245 361 HA3 GLY 50 2HA GLY 50 -1.215 1.616 -7.850 362 H HIS 51 H HIS 51 -4.446 2.513 -6.967 363 HA HIS 51 HA HIS 51 -3.808 5.021 -5.554 364 HB2 HIS 51 2HB HIS 51 -6.225 5.026 -5.141 365 HB3 HIS 51 3HB HIS 51 -5.915 4.698 -6.846 366 HD2 HIS 51 2HD HIS 51 -8.026 3.487 -4.100 367 HE1 HIS 51 1HE HIS 51 -7.581 0.011 -6.510 368 HE2 HIS 51 2HE HIS 51 -8.853 1.052 -4.553 369 H LEU 52 H LEU 52 -4.761 1.648 -4.795 370 HA LEU 52 HA LEU 52 -4.322 1.917 -1.935 371 HB2 LEU 52 2HB LEU 52 -4.755 -0.388 -3.882 372 HB3 LEU 52 3HB LEU 52 -3.945 -0.863 -2.570 373 HG LEU 52 HG LEU 52 -6.710 -0.627 -2.970 374 HD11 LEU 52 1HD1 LEU 52 -5.486 -2.072 -1.293 375 HD12 LEU 52 2HD1 LEU 52 -6.952 -1.337 -0.631 376 HD13 LEU 52 3HD1 LEU 52 -5.348 -0.678 -0.241 377 HD21 LEU 52 3HD2 LEU 52 -6.088 1.499 -0.900 378 HD22 LEU 52 1HD2 LEU 52 -7.679 0.927 -1.455 379 HD23 LEU 52 2HD2 LEU 52 -6.613 1.834 -2.556 380 H ILE 53 H ILE 53 -1.968 1.195 -4.527 381 HA ILE 53 HA ILE 53 0.111 1.198 -2.564 382 HB ILE 53 HB ILE 53 0.232 2.166 -5.442 383 HG12 ILE 53 2HG1 ILE 53 1.477 -0.363 -4.518 384 HG13 ILE 53 3HG1 ILE 53 -0.236 -0.423 -4.401 385 HG21 ILE 53 1HG2 ILE 53 2.085 3.054 -4.117 386 HG22 ILE 53 2HG2 ILE 53 2.421 1.432 -3.453 387 HG23 ILE 53 3HG2 ILE 53 2.661 1.762 -5.183 388 HD11 ILE 53 3HD1 ILE 53 -0.342 -0.569 -6.780 389 HD12 ILE 53 1HD1 ILE 53 1.085 0.484 -7.003 390 HD13 ILE 53 2HD1 ILE 53 1.276 -1.206 -6.518 391 H GLU 54 H GLU 54 -1.092 4.147 -4.405 392 HA GLU 54 HA GLU 54 0.709 5.929 -3.232 393 HB2 GLU 54 2HB GLU 54 -2.034 6.415 -4.425 394 HB3 GLU 54 3HB GLU 54 -1.104 7.705 -3.696 395 HG2 GLU 54 2HG GLU 54 0.772 6.536 -5.393 396 HG3 GLU 54 3HG GLU 54 -0.711 6.348 -6.296 397 H ALA 55 H ALA 55 -2.595 5.240 -2.118 398 HA ALA 55 HA ALA 55 -2.693 7.113 -0.025 399 HB1 ALA 55 1HB ALA 55 -4.035 4.379 -0.482 400 HB2 ALA 55 2HB ALA 55 -4.562 5.561 0.748 401 HB3 ALA 55 3HB ALA 55 -4.653 5.971 -0.976 402 H HIS 56 H HIS 56 -1.464 3.803 -0.125 403 HA HIS 56 HA HIS 56 -0.756 3.735 2.738 404 HB2 HIS 56 2HB HIS 56 -0.433 1.692 0.517 405 HB3 HIS 56 3HB HIS 56 -0.094 1.449 2.206 406 HD2 HIS 56 2HD HIS 56 -2.497 -0.098 0.493 407 HE1 HIS 56 1HE HIS 56 -5.178 1.986 3.051 408 HE2 HIS 56 2HE HIS 56 -4.937 0.016 1.443 409 H LYS 57 H LYS 57 0.718 4.302 -0.377 410 HA LYS 57 HA LYS 57 3.381 3.999 0.183 411 HB2 LYS 57 2HB LYS 57 1.814 4.571 -1.946 412 HB3 LYS 57 3HB LYS 57 2.344 6.136 -1.749 413 HG2 LYS 57 2HG LYS 57 4.724 4.853 -1.683 414 HG3 LYS 57 3HG LYS 57 3.702 3.533 -2.263 415 HD2 LYS 57 2HD LYS 57 3.085 5.021 -4.259 416 HD3 LYS 57 3HD LYS 57 4.251 6.216 -3.663 417 HE2 LYS 57 2HE LYS 57 6.052 4.478 -3.724 418 HE3 LYS 57 3HE LYS 57 4.872 3.290 -4.274 419 HZ1 LYS 57 3HZ LYS 57 4.629 4.702 -6.340 420 HZ2 LYS 57 1HZ LYS 57 6.016 3.965 -6.127 421 HZ3 LYS 57 2HZ LYS 57 5.930 5.586 -5.808 422 H GLU 58 H GLU 58 1.372 6.898 0.400 423 HA GLU 58 HA GLU 58 3.375 8.590 1.501 424 HB2 GLU 58 2HB GLU 58 1.626 10.073 2.293 425 HB3 GLU 58 3HB GLU 58 1.496 9.625 0.584 426 HG2 GLU 58 2HG GLU 58 -0.176 7.899 1.249 427 HG3 GLU 58 3HG GLU 58 -0.199 8.573 2.884 428 H CYS 59 H CYS 59 1.267 6.347 3.132 429 HA CYS 59 HA CYS 59 2.057 6.963 5.804 430 HB2 CYS 59 2HB CYS 59 0.105 5.566 5.063 431 HB3 CYS 59 3HB CYS 59 1.150 4.201 4.761 432 H MET 60 H MET 60 3.300 4.412 3.577 433 HA MET 60 HA MET 60 5.434 3.565 5.247 434 HB2 MET 60 2HB MET 60 4.873 3.440 2.250 435 HB3 MET 60 3HB MET 60 6.365 2.792 2.929 436 HG2 MET 60 2HG MET 60 5.038 1.407 4.513 437 HG3 MET 60 3HG MET 60 3.555 1.974 3.775 438 HE1 MET 60 3HE MET 60 3.991 1.891 0.659 439 HE2 MET 60 1HE MET 60 3.458 0.232 0.341 440 HE3 MET 60 2HE MET 60 2.602 1.220 1.544 441 H ARG 61 H ARG 61 5.549 6.054 2.637 442 HA ARG 61 HA ARG 61 8.397 6.511 2.718 443 HB2 ARG 61 2HB ARG 61 8.051 8.208 1.389 444 HB3 ARG 61 3HB ARG 61 6.418 7.510 1.235 445 HG2 ARG 61 2HG ARG 61 5.685 9.204 3.000 446 HG3 ARG 61 3HG ARG 61 7.321 9.881 2.749 447 HD2 ARG 61 2HD ARG 61 5.184 9.461 0.620 448 HD3 ARG 61 3HD ARG 61 5.544 11.014 1.390 449 HE ARG 61 HE ARG 61 7.712 9.610 -0.157 450 HH11 ARG 61 1HH1 ARG 61 5.434 12.279 -0.061 451 HH12 ARG 61 2HH1 ARG 61 6.217 13.058 -1.416 452 HH21 ARG 61 1HH2 ARG 61 8.553 10.504 -1.820 453 HH22 ARG 61 2HH2 ARG 61 7.870 11.959 -2.543 454 H ALA 62 H ALA 62 6.014 8.027 4.927 455 HA ALA 62 HA ALA 62 7.619 9.953 6.003 456 HB1 ALA 62 1HB ALA 62 5.517 8.294 7.390 457 HB2 ALA 62 2HB ALA 62 6.075 9.892 7.916 458 HB3 ALA 62 3HB ALA 62 5.191 9.716 6.371 459 H LEU 63 H LEU 63 7.694 6.555 6.704 460 HA LEU 63 HA LEU 63 9.230 6.475 9.136 461 HB2 LEU 63 2HB LEU 63 8.829 4.551 6.803 462 HB3 LEU 63 3HB LEU 63 9.678 4.102 8.213 463 HG LEU 63 HG LEU 63 7.133 3.497 7.813 464 HD11 LEU 63 1HD1 LEU 63 8.371 4.065 10.466 465 HD12 LEU 63 2HD1 LEU 63 8.589 2.586 9.508 466 HD13 LEU 63 3HD1 LEU 63 6.979 3.007 10.193 467 HD21 LEU 63 3HD2 LEU 63 5.647 4.716 9.307 468 HD22 LEU 63 1HD2 LEU 63 6.152 5.720 7.930 469 HD23 LEU 63 2HD2 LEU 63 6.902 5.946 9.550 470 H GLY 64 H GLY 64 10.240 7.313 5.967 471 HA2 GLY 64 1HA GLY 64 12.295 7.448 4.953 472 HA3 GLY 64 2HA GLY 64 13.109 6.730 6.304 473 H PHE 65 H PHE 65 10.280 5.422 4.546 474 HA PHE 65 HA PHE 65 11.805 3.027 3.788 475 HB2 PHE 65 2HB PHE 65 8.954 3.872 3.389 476 HB3 PHE 65 3HB PHE 65 9.561 2.408 2.695 477 HD1 PHE 65 2HD PHE 65 11.016 2.941 6.022 478 HD2 PHE 65 1HD PHE 65 7.644 1.321 3.865 479 HE1 PHE 65 2HE PHE 65 10.439 1.550 7.957 480 HE2 PHE 65 1HE PHE 65 7.022 -0.017 5.850 481 HZ PHE 65 HZ PHE 65 8.435 0.094 7.908 482 H LYS 66 H LYS 66 10.994 5.975 2.259 483 HA LYS 66 HA LYS 66 12.448 6.932 0.898 484 HB2 LYS 66 2HB LYS 66 13.472 4.230 0.016 485 HB3 LYS 66 3HB LYS 66 14.212 5.801 -0.269 486 HG2 LYS 66 2HG LYS 66 13.538 5.609 2.553 487 HG3 LYS 66 3HG LYS 66 14.363 4.166 2.120 488 HD2 LYS 66 2HD LYS 66 15.082 7.085 1.750 489 HD3 LYS 66 3HD LYS 66 15.689 6.062 3.057 490 HE2 LYS 66 2HE LYS 66 17.101 4.806 1.577 491 HE3 LYS 66 3HE LYS 66 16.315 5.484 0.132 492 HZ1 LYS 66 3HZ LYS 66 17.267 7.612 0.595 493 HZ2 LYS 66 1HZ LYS 66 18.495 6.486 0.731 494 HZ3 LYS 66 2HZ LYS 66 17.819 7.145 2.064 495 H ILE 67 H ILE 67 9.939 5.993 0.258 496 HA ILE 67 HA ILE 67 9.245 5.786 -2.494 497 HB ILE 67 HB ILE 67 7.890 6.727 -0.017 498 HG12 ILE 67 2HG1 ILE 67 6.417 4.808 0.015 499 HG13 ILE 67 3HG1 ILE 67 7.218 4.151 -1.422 500 HG21 ILE 67 1HG2 ILE 67 5.692 6.753 -1.067 501 HG22 ILE 67 2HG2 ILE 67 6.756 7.903 -1.869 502 HG23 ILE 67 3HG2 ILE 67 6.418 6.333 -2.623 503 HD11 ILE 67 3HD1 ILE 67 9.254 3.744 -0.187 504 HD12 ILE 67 1HD1 ILE 67 8.601 4.638 1.217 505 HD13 ILE 67 2HD1 ILE 67 7.879 3.092 0.721 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 18.817 0.678 17.989 2 H2 GLY 1 H2 GLY 1 19.342 0.840 19.529 3 H3 GLY 1 H3 GLY 1 17.737 0.925 19.190 4 HA2 GLY 1 2HA GLY 1 18.149 -1.199 20.173 5 HA3 GLY 1 1HA GLY 1 17.740 -1.406 18.457 6 H SER 2 H SER 2 19.339 -2.167 17.033 7 HA SER 2 HA SER 2 22.163 -2.101 17.761 8 HB2 SER 2 2HB SER 2 21.260 -4.197 18.867 9 HB3 SER 2 3HB SER 2 20.878 -4.812 17.246 10 HG SER 2 HG SER 2 23.225 -4.763 18.579 11 H PHE 3 H PHE 3 23.307 -3.519 15.855 12 HA PHE 3 HA PHE 3 22.648 -2.191 13.335 13 HB2 PHE 3 2HB PHE 3 24.783 -4.194 14.126 14 HB3 PHE 3 3HB PHE 3 24.590 -3.587 12.489 15 HD1 PHE 3 1HD PHE 3 24.971 -1.212 11.911 16 HD2 PHE 3 2HD PHE 3 25.791 -2.747 15.859 17 HE1 PHE 3 1HE PHE 3 26.350 0.790 12.404 18 HE2 PHE 3 2HE PHE 3 27.140 -0.721 16.357 19 HZ PHE 3 HZ PHE 3 27.419 1.051 14.636 20 H THR 4 H THR 4 20.413 -3.237 13.640 21 HA THR 4 HA THR 4 20.159 -5.575 11.769 22 HB THR 4 HB THR 4 18.311 -6.397 13.123 23 HG1 THR 4 1HG THR 4 18.579 -5.705 15.413 24 HG21 THR 4 1HG2 THR 4 20.919 -6.329 14.696 25 HG22 THR 4 2HG2 THR 4 20.569 -7.387 13.319 26 HG23 THR 4 3HG2 THR 4 19.627 -7.550 14.803 27 H MET 5 H MET 5 18.725 -2.585 12.950 28 HA MET 5 HA MET 5 16.769 -1.485 12.313 29 HB2 MET 5 2HB MET 5 18.463 -1.726 9.809 30 HB3 MET 5 3HB MET 5 17.099 -0.601 9.986 31 HG2 MET 5 2HG MET 5 18.140 0.388 11.981 32 HG3 MET 5 3HG MET 5 19.519 -0.695 11.827 33 HE1 MET 5 3HE MET 5 18.640 2.768 8.847 34 HE2 MET 5 1HE MET 5 17.805 1.212 8.694 35 HE3 MET 5 2HE MET 5 17.515 2.241 10.117 36 HA PRO 6 HA PRO 6 14.664 -5.175 10.416 37 HB2 PRO 6 2HB PRO 6 13.049 -6.069 12.429 38 HB3 PRO 6 3HB PRO 6 14.817 -6.336 12.420 39 HG2 PRO 6 2HG PRO 6 13.298 -4.089 13.804 40 HG3 PRO 6 3HG PRO 6 14.473 -5.235 14.534 41 HD2 PRO 6 2HD PRO 6 15.256 -2.782 13.673 42 HD3 PRO 6 3HD PRO 6 16.289 -4.224 13.435 43 H GLY 7 H GLY 7 13.662 -2.180 10.595 44 HA2 GLY 7 1HA GLY 7 10.720 -2.446 10.446 45 HA3 GLY 7 2HA GLY 7 11.669 -0.970 10.212 46 H LEU 8 H LEU 8 13.148 -3.159 8.369 47 HA LEU 8 HA LEU 8 11.467 -3.175 5.973 48 HB2 LEU 8 2HB LEU 8 13.187 -2.356 4.522 49 HB3 LEU 8 3HB LEU 8 12.854 -1.123 5.715 50 HG LEU 8 HG LEU 8 15.141 -3.023 6.269 51 HD11 LEU 8 1HD1 LEU 8 15.378 -0.702 4.329 52 HD12 LEU 8 2HD1 LEU 8 15.426 -2.429 3.877 53 HD13 LEU 8 3HD1 LEU 8 16.687 -1.746 4.918 54 HD21 LEU 8 3HD2 LEU 8 14.577 -1.219 7.905 55 HD22 LEU 8 1HD2 LEU 8 14.920 -0.010 6.649 56 HD23 LEU 8 2HD2 LEU 8 16.204 -1.090 7.246 57 H VAL 9 H VAL 9 13.115 -4.524 4.259 58 HA VAL 9 HA VAL 9 13.541 -7.085 5.577 59 HB VAL 9 HB VAL 9 12.562 -6.805 3.325 60 HG11 VAL 9 1HG1 VAL 9 14.107 -5.050 2.437 61 HG12 VAL 9 2HG1 VAL 9 15.348 -6.307 2.259 62 HG13 VAL 9 3HG1 VAL 9 13.842 -6.418 1.348 63 HG21 VAL 9 3HG2 VAL 9 13.554 -8.745 2.283 64 HG22 VAL 9 1HG2 VAL 9 15.031 -8.579 3.249 65 HG23 VAL 9 2HG2 VAL 9 13.496 -8.993 4.036 66 H ASP 10 H ASP 10 15.580 -4.465 5.047 67 HA ASP 10 HA ASP 10 17.777 -4.106 4.721 68 HB2 ASP 10 2HB ASP 10 17.483 -4.331 7.158 69 HB3 ASP 10 3HB ASP 10 18.047 -6.011 7.038 70 H SER 11 H SER 11 17.102 -5.543 2.778 71 HA SER 11 HA SER 11 19.515 -6.914 1.893 72 HB2 SER 11 2HB SER 11 17.991 -8.696 2.882 73 HB3 SER 11 3HB SER 11 16.791 -8.264 1.653 74 HG SER 11 HG SER 11 18.173 -10.049 1.123 75 H ASN 12 H ASN 12 19.026 -7.459 -0.568 76 HA ASN 12 HA ASN 12 18.490 -4.915 -1.821 77 HB2 ASN 12 2HB ASN 12 19.166 -7.623 -3.005 78 HB3 ASN 12 3HB ASN 12 19.241 -6.099 -3.872 79 HD21 ASN 12 1HD2 ASN 12 20.477 -4.284 -2.780 80 HD22 ASN 12 2HD2 ASN 12 21.786 -4.704 -1.722 81 HA PRO 13 HA PRO 13 14.306 -5.085 -2.805 82 HB2 PRO 13 2HB PRO 13 13.918 -4.005 -5.247 83 HB3 PRO 13 3HB PRO 13 14.797 -3.106 -3.970 84 HG2 PRO 13 2HG PRO 13 15.940 -4.631 -6.312 85 HG3 PRO 13 3HG PRO 13 16.448 -3.045 -5.651 86 HD2 PRO 13 2HD PRO 13 17.572 -5.559 -5.071 87 HD3 PRO 13 3HD PRO 13 17.812 -4.099 -4.083 88 H ALA 14 H ALA 14 12.469 -5.957 -3.878 89 HA ALA 14 HA ALA 14 11.281 -7.731 -4.718 90 HB1 ALA 14 1HB ALA 14 11.604 -7.817 -7.147 91 HB2 ALA 14 2HB ALA 14 11.901 -6.163 -6.562 92 HB3 ALA 14 3HB ALA 14 13.272 -7.202 -6.956 93 HA PRO 15 HA PRO 15 15.224 -10.211 -3.947 94 HB2 PRO 15 2HB PRO 15 14.949 -11.282 -1.422 95 HB3 PRO 15 3HB PRO 15 15.407 -9.581 -1.732 96 HG2 PRO 15 2HG PRO 15 12.634 -10.690 -1.171 97 HG3 PRO 15 3HG PRO 15 13.465 -9.324 -0.350 98 HD2 PRO 15 2HD PRO 15 11.728 -8.865 -2.371 99 HD3 PRO 15 3HD PRO 15 13.251 -7.931 -2.225 100 HA PRO 16 HA PRO 16 14.276 -14.273 -5.211 101 HB2 PRO 16 2HB PRO 16 16.041 -15.918 -3.770 102 HB3 PRO 16 3HB PRO 16 16.399 -15.012 -5.275 103 HG2 PRO 16 2HG PRO 16 16.930 -14.189 -2.414 104 HG3 PRO 16 3HG PRO 16 18.000 -14.038 -3.849 105 HD2 PRO 16 2HD PRO 16 16.619 -11.914 -2.965 106 HD3 PRO 16 3HD PRO 16 16.722 -12.243 -4.724 107 H GLU 17 H GLU 17 12.960 -15.784 -4.865 108 HA GLU 17 HA GLU 17 10.808 -15.555 -4.161 109 HB2 GLU 17 2HB GLU 17 11.718 -17.847 -4.487 110 HB3 GLU 17 3HB GLU 17 11.387 -17.979 -2.749 111 HG2 GLU 17 2HG GLU 17 9.054 -17.448 -3.058 112 HG3 GLU 17 3HG GLU 17 9.337 -16.906 -4.706 113 H SER 18 H SER 18 10.800 -13.644 -3.118 114 HA SER 18 HA SER 18 10.426 -13.303 -0.325 115 HB2 SER 18 2HB SER 18 10.565 -11.530 -2.109 116 HB3 SER 18 3HB SER 18 8.957 -11.984 -2.650 117 HG SER 18 HG SER 18 8.968 -10.170 -1.229 118 H GLN 19 H GLN 19 8.293 -12.633 0.514 119 HA GLN 19 HA GLN 19 6.224 -12.883 1.170 120 HB2 GLN 19 2HB GLN 19 6.119 -12.051 -1.192 121 HB3 GLN 19 3HB GLN 19 5.653 -13.662 -1.650 122 HG2 GLN 19 2HG GLN 19 3.649 -12.517 -1.550 123 HG3 GLN 19 3HG GLN 19 3.636 -13.291 0.020 124 HE21 GLN 19 1HE2 GLN 19 3.395 -10.340 -1.669 125 HE22 GLN 19 2HE2 GLN 19 3.262 -9.316 -0.227 126 H GLU 20 H GLU 20 7.762 -15.733 0.444 127 HA GLU 20 HA GLU 20 5.585 -17.527 1.390 128 HB2 GLU 20 2HB GLU 20 6.860 -18.138 -0.609 129 HB3 GLU 20 3HB GLU 20 8.383 -18.095 0.288 130 HG2 GLU 20 2HG GLU 20 7.875 -20.089 1.456 131 HG3 GLU 20 3HG GLU 20 6.146 -19.922 1.179 132 H LYS 21 H LYS 21 6.582 -19.317 2.918 133 HA LYS 21 HA LYS 21 7.520 -20.059 4.797 134 HB2 LYS 21 2HB LYS 21 9.477 -18.516 3.637 135 HB3 LYS 21 3HB LYS 21 9.456 -17.841 5.249 136 HG2 LYS 21 2HG LYS 21 9.950 -20.057 6.201 137 HG3 LYS 21 3HG LYS 21 9.632 -20.828 4.634 138 HD2 LYS 21 2HD LYS 21 11.544 -19.519 3.643 139 HD3 LYS 21 3HD LYS 21 11.959 -18.963 5.281 140 HE2 LYS 21 2HE LYS 21 12.333 -21.271 6.006 141 HE3 LYS 21 3HE LYS 21 11.667 -21.896 4.492 142 HZ1 LYS 21 3HZ LYS 21 13.984 -22.009 4.402 143 HZ2 LYS 21 1HZ LYS 21 14.236 -20.440 4.775 144 HZ3 LYS 21 2HZ LYS 21 13.549 -20.858 3.313 145 H LYS 22 H LYS 22 8.569 -18.243 6.981 146 HA LYS 22 HA LYS 22 5.928 -17.819 8.302 147 HB2 LYS 22 2HB LYS 22 6.723 -19.187 10.183 148 HB3 LYS 22 3HB LYS 22 6.610 -20.068 8.666 149 HG2 LYS 22 2HG LYS 22 9.224 -19.505 8.491 150 HG3 LYS 22 3HG LYS 22 9.081 -19.309 10.233 151 HD2 LYS 22 2HD LYS 22 8.263 -21.795 8.658 152 HD3 LYS 22 3HD LYS 22 9.807 -21.577 9.492 153 HE2 LYS 22 2HE LYS 22 8.691 -21.390 11.651 154 HE3 LYS 22 3HE LYS 22 7.097 -21.516 10.889 155 HZ1 LYS 22 3HZ LYS 22 9.187 -23.619 10.729 156 HZ2 LYS 22 1HZ LYS 22 7.651 -23.764 10.177 157 HZ3 LYS 22 2HZ LYS 22 7.955 -23.669 11.789 158 HA PRO 23 HA PRO 23 8.915 -14.341 9.198 159 HB2 PRO 23 2HB PRO 23 7.343 -12.207 8.492 160 HB3 PRO 23 3HB PRO 23 8.331 -13.134 7.317 161 HG2 PRO 23 2HG PRO 23 5.382 -13.485 7.957 162 HG3 PRO 23 3HG PRO 23 6.151 -13.330 6.340 163 HD2 PRO 23 2HD PRO 23 5.525 -15.756 7.400 164 HD3 PRO 23 3HD PRO 23 7.028 -15.519 6.454 165 H LEU 24 H LEU 24 8.842 -12.814 10.887 166 HA LEU 24 HA LEU 24 7.214 -13.413 13.158 167 HB2 LEU 24 2HB LEU 24 9.543 -12.487 13.134 168 HB3 LEU 24 3HB LEU 24 8.923 -10.984 12.462 169 HG LEU 24 HG LEU 24 7.655 -10.572 14.569 170 HD11 LEU 24 1HD1 LEU 24 7.339 -12.928 15.342 171 HD12 LEU 24 2HD1 LEU 24 8.128 -11.933 16.564 172 HD13 LEU 24 3HD1 LEU 24 9.094 -13.060 15.592 173 HD21 LEU 24 3HD2 LEU 24 10.605 -11.149 14.970 174 HD22 LEU 24 1HD2 LEU 24 9.600 -10.069 15.954 175 HD23 LEU 24 2HD2 LEU 24 9.916 -9.671 14.256 176 H LYS 25 H LYS 25 5.759 -11.891 14.285 177 HA LYS 25 HA LYS 25 4.277 -9.963 12.517 178 HB2 LYS 25 2HB LYS 25 3.201 -11.792 14.671 179 HB3 LYS 25 3HB LYS 25 2.433 -10.259 14.288 180 HG2 LYS 25 2HG LYS 25 1.232 -11.711 13.001 181 HG3 LYS 25 3HG LYS 25 2.334 -10.968 11.854 182 HD2 LYS 25 2HD LYS 25 3.774 -13.042 12.009 183 HD3 LYS 25 3HD LYS 25 2.546 -13.781 13.042 184 HE2 LYS 25 2HE LYS 25 2.037 -12.710 10.225 185 HE3 LYS 25 3HE LYS 25 2.491 -14.377 10.547 186 HZ1 LYS 25 3HZ LYS 25 0.462 -14.726 11.735 187 HZ2 LYS 25 1HZ LYS 25 0.062 -14.029 10.301 188 HZ3 LYS 25 2HZ LYS 25 0.025 -13.159 11.709 189 HA PRO 26 HA PRO 26 6.425 -7.305 15.652 190 HB2 PRO 26 2HB PRO 26 7.593 -5.571 13.939 191 HB3 PRO 26 3HB PRO 26 8.292 -7.190 14.243 192 HG2 PRO 26 2HG PRO 26 6.468 -6.341 11.963 193 HG3 PRO 26 3HG PRO 26 8.051 -7.183 11.854 194 HD2 PRO 26 2HD PRO 26 5.686 -8.529 11.816 195 HD3 PRO 26 3HD PRO 26 7.146 -9.192 12.615 196 H CYS 27 H CYS 27 6.228 -4.818 15.675 197 HA CYS 27 HA CYS 27 3.515 -3.934 14.775 198 HB2 CYS 27 2HB CYS 27 4.992 -3.422 17.402 199 HB3 CYS 27 3HB CYS 27 3.504 -2.592 16.913 200 HG CYS 27 HG CYS 27 2.771 -4.405 18.643 201 H CYS 28 H CYS 28 3.390 -1.466 14.935 202 HA CYS 28 HA CYS 28 3.795 0.429 13.789 203 HB2 CYS 28 2HB CYS 28 6.778 0.065 13.892 204 HB3 CYS 28 3HB CYS 28 5.824 1.543 13.827 205 HG CYS 28 HG CYS 28 6.241 -0.608 16.291 206 H ALA 29 H ALA 29 5.842 1.031 11.824 207 HA ALA 29 HA ALA 29 5.632 1.232 9.656 208 HB1 ALA 29 1HB ALA 29 6.124 -1.741 9.657 209 HB2 ALA 29 2HB ALA 29 6.345 -0.631 8.290 210 HB3 ALA 29 3HB ALA 29 7.367 -0.453 9.748 211 H CYS 30 H CYS 30 3.221 1.598 10.317 212 HA CYS 30 HA CYS 30 1.024 1.532 9.643 213 HB2 CYS 30 2HB CYS 30 2.365 1.145 7.006 214 HB3 CYS 30 3HB CYS 30 0.853 1.886 7.350 215 HA PRO 31 HA PRO 31 0.584 -3.336 8.805 216 HB2 PRO 31 2HB PRO 31 -1.010 -3.630 11.025 217 HB3 PRO 31 3HB PRO 31 0.772 -3.836 11.111 218 HG2 PRO 31 2HG PRO 31 -0.876 -1.394 11.862 219 HG3 PRO 31 3HG PRO 31 0.456 -2.159 12.781 220 HD2 PRO 31 2HD PRO 31 0.951 0.024 11.194 221 HD3 PRO 31 3HD PRO 31 2.085 -1.350 11.275 222 H GLU 32 H GLU 32 -1.973 -1.097 10.147 223 HA GLU 32 HA GLU 32 -3.976 -2.231 8.577 224 HB2 GLU 32 2HB GLU 32 -4.814 0.269 8.293 225 HB3 GLU 32 3HB GLU 32 -4.901 -0.544 9.809 226 HG2 GLU 32 2HG GLU 32 -2.920 0.637 10.652 227 HG3 GLU 32 3HG GLU 32 -2.613 1.326 9.057 228 H THR 33 H THR 33 -1.665 0.243 7.479 229 HA THR 33 HA THR 33 -3.234 0.555 5.123 230 HB THR 33 HB THR 33 -1.732 2.229 4.367 231 HG1 THR 33 1HG THR 33 0.249 2.575 5.171 232 HG21 THR 33 1HG2 THR 33 -1.627 3.776 6.122 233 HG22 THR 33 2HG2 THR 33 -1.424 2.509 7.353 234 HG23 THR 33 3HG2 THR 33 -2.984 2.732 6.539 235 H LYS 34 H LYS 34 0.029 -0.749 5.687 236 HA LYS 34 HA LYS 34 0.681 -1.931 3.182 237 HB2 LYS 34 2HB LYS 34 2.176 -1.732 5.203 238 HB3 LYS 34 3HB LYS 34 1.081 -2.644 6.158 239 HG2 LYS 34 2HG LYS 34 2.789 -3.896 3.996 240 HG3 LYS 34 3HG LYS 34 3.099 -3.748 5.747 241 HD2 LYS 34 2HD LYS 34 1.016 -5.029 6.220 242 HD3 LYS 34 3HD LYS 34 0.960 -5.427 4.484 243 HE2 LYS 34 2HE LYS 34 1.767 -7.205 5.809 244 HE3 LYS 34 3HE LYS 34 2.950 -6.676 4.590 245 HZ1 LYS 34 3HZ LYS 34 4.189 -5.564 6.340 246 HZ2 LYS 34 1HZ LYS 34 3.989 -7.142 6.755 247 HZ3 LYS 34 2HZ LYS 34 3.094 -5.980 7.491 248 H LYS 35 H LYS 35 -0.718 -3.596 5.938 249 HA LYS 35 HA LYS 35 -1.439 -6.021 4.787 250 HB2 LYS 35 2HB LYS 35 -1.477 -5.242 7.150 251 HB3 LYS 35 3HB LYS 35 -2.937 -4.407 6.908 252 HG2 LYS 35 2HG LYS 35 -3.991 -6.238 7.601 253 HG3 LYS 35 3HG LYS 35 -3.552 -6.950 6.053 254 HD2 LYS 35 2HD LYS 35 -1.775 -7.144 8.500 255 HD3 LYS 35 3HD LYS 35 -3.063 -8.295 8.126 256 HE2 LYS 35 2HE LYS 35 -2.006 -8.761 5.921 257 HE3 LYS 35 3HE LYS 35 -0.612 -7.757 6.372 258 HZ1 LYS 35 3HZ LYS 35 -1.529 -9.941 8.135 259 HZ2 LYS 35 1HZ LYS 35 -0.029 -9.317 8.031 260 HZ3 LYS 35 2HZ LYS 35 -0.610 -10.308 6.829 261 H ALA 36 H ALA 36 -3.510 -3.182 5.030 262 HA ALA 36 HA ALA 36 -5.662 -4.186 3.395 263 HB1 ALA 36 1HB ALA 36 -5.976 -2.278 4.897 264 HB2 ALA 36 2HB ALA 36 -4.884 -1.284 3.898 265 HB3 ALA 36 3HB ALA 36 -6.420 -1.871 3.235 266 H ARG 37 H ARG 37 -2.833 -2.158 2.392 267 HA ARG 37 HA ARG 37 -3.320 -1.852 -0.409 268 HB2 ARG 37 2HB ARG 37 -1.081 -1.319 1.138 269 HB3 ARG 37 3HB ARG 37 -0.554 -2.801 0.568 270 HG2 ARG 37 2HG ARG 37 -1.685 -1.588 -1.652 271 HG3 ARG 37 3HG ARG 37 -0.733 -0.362 -0.872 272 HD2 ARG 37 2HD ARG 37 0.223 -1.619 -2.858 273 HD3 ARG 37 3HD ARG 37 1.113 -1.523 -1.330 274 HE ARG 37 HE ARG 37 0.399 -3.817 -0.844 275 HH11 ARG 37 1HH1 ARG 37 1.957 -2.329 -3.637 276 HH12 ARG 37 2HH1 ARG 37 3.086 -3.616 -3.851 277 HH21 ARG 37 1HH2 ARG 37 2.184 -5.364 -1.072 278 HH22 ARG 37 2HH2 ARG 37 3.264 -5.198 -2.441 279 H ASP 38 H ASP 38 -1.544 -4.365 1.216 280 HA ASP 38 HA ASP 38 -1.006 -5.715 -1.076 281 HB2 ASP 38 2HB ASP 38 -0.787 -6.197 1.854 282 HB3 ASP 38 3HB ASP 38 -0.473 -7.601 0.803 283 H ALA 39 H ALA 39 -3.665 -6.186 1.306 284 HA ALA 39 HA ALA 39 -4.920 -8.525 0.354 285 HB1 ALA 39 1HB ALA 39 -6.924 -7.591 1.414 286 HB2 ALA 39 2HB ALA 39 -5.512 -7.236 2.437 287 HB3 ALA 39 3HB ALA 39 -6.213 -5.970 1.385 288 H CYS 40 H CYS 40 -5.324 -5.142 -0.935 289 HA CYS 40 HA CYS 40 -7.228 -5.957 -2.984 290 HB2 CYS 40 2HB CYS 40 -6.755 -3.665 -2.071 291 HB3 CYS 40 3HB CYS 40 -5.212 -3.705 -2.846 292 H ILE 41 H ILE 41 -3.700 -5.467 -2.936 293 HA ILE 41 HA ILE 41 -3.076 -6.053 -5.631 294 HB ILE 41 HB ILE 41 -1.456 -6.241 -3.106 295 HG12 ILE 41 2HG1 ILE 41 -0.217 -4.435 -4.412 296 HG13 ILE 41 3HG1 ILE 41 -1.481 -4.369 -5.506 297 HG21 ILE 41 1HG2 ILE 41 -0.481 -6.875 -5.917 298 HG22 ILE 41 2HG2 ILE 41 0.569 -6.532 -4.524 299 HG23 ILE 41 3HG2 ILE 41 -0.452 -7.954 -4.505 300 HD11 ILE 41 3HD1 ILE 41 -3.015 -3.659 -3.692 301 HD12 ILE 41 1HD1 ILE 41 -1.578 -3.634 -2.665 302 HD13 ILE 41 2HD1 ILE 41 -1.676 -2.552 -4.061 303 H ILE 42 H ILE 42 -3.400 -8.306 -2.931 304 HA ILE 42 HA ILE 42 -2.768 -10.792 -4.067 305 HB ILE 42 HB ILE 42 -4.668 -9.777 -1.934 306 HG12 ILE 42 2HG1 ILE 42 -2.108 -11.455 -1.885 307 HG13 ILE 42 3HG1 ILE 42 -2.149 -9.731 -1.579 308 HG21 ILE 42 1HG2 ILE 42 -5.131 -12.041 -1.130 309 HG22 ILE 42 2HG2 ILE 42 -5.869 -11.670 -2.677 310 HG23 ILE 42 3HG2 ILE 42 -4.398 -12.701 -2.617 311 HD11 ILE 42 3HD1 ILE 42 -1.950 -10.833 0.521 312 HD12 ILE 42 1HD1 ILE 42 -3.611 -10.226 0.447 313 HD13 ILE 42 2HD1 ILE 42 -3.274 -11.950 0.173 314 H GLU 43 H GLU 43 -5.710 -8.902 -4.472 315 HA GLU 43 HA GLU 43 -7.230 -11.136 -5.560 316 HB2 GLU 43 2HB GLU 43 -7.486 -9.364 -3.599 317 HB3 GLU 43 3HB GLU 43 -8.062 -8.293 -4.811 318 HG2 GLU 43 2HG GLU 43 -9.243 -11.067 -4.351 319 HG3 GLU 43 3HG GLU 43 -9.432 -9.683 -3.277 320 H LYS 44 H LYS 44 -6.428 -7.787 -6.360 321 HA LYS 44 HA LYS 44 -7.225 -8.240 -9.239 322 HB2 LYS 44 2HB LYS 44 -6.658 -5.558 -8.008 323 HB3 LYS 44 3HB LYS 44 -7.535 -5.983 -9.482 324 HG2 LYS 44 2HG LYS 44 -9.250 -7.133 -7.930 325 HG3 LYS 44 3HG LYS 44 -8.426 -6.295 -6.594 326 HD2 LYS 44 2HD LYS 44 -8.714 -4.134 -7.842 327 HD3 LYS 44 3HD LYS 44 -9.636 -5.026 -9.074 328 HE2 LYS 44 2HE LYS 44 -11.181 -5.811 -7.188 329 HE3 LYS 44 3HE LYS 44 -10.332 -4.715 -6.102 330 HZ1 LYS 44 3HZ LYS 44 -11.846 -3.869 -8.528 331 HZ2 LYS 44 1HZ LYS 44 -11.096 -2.826 -7.492 332 HZ3 LYS 44 2HZ LYS 44 -12.358 -3.704 -6.991 333 H GLY 45 H GLY 45 -4.595 -6.686 -7.418 334 HA2 GLY 45 1HA GLY 45 -2.247 -7.281 -8.243 335 HA3 GLY 45 2HA GLY 45 -2.815 -6.760 -9.833 336 H GLU 46 H GLU 46 -0.613 -5.513 -8.621 337 HA GLU 46 HA GLU 46 -1.161 -3.122 -7.063 338 HB2 GLU 46 2HB GLU 46 1.179 -4.140 -8.748 339 HB3 GLU 46 3HB GLU 46 1.149 -2.479 -8.171 340 HG2 GLU 46 2HG GLU 46 0.837 -3.271 -5.860 341 HG3 GLU 46 3HG GLU 46 0.949 -4.951 -6.420 342 H GLU 47 H GLU 47 -0.989 -3.787 -10.528 343 HA GLU 47 HA GLU 47 -1.384 -1.138 -11.311 344 HB2 GLU 47 2HB GLU 47 -1.850 -2.141 -13.533 345 HB3 GLU 47 3HB GLU 47 -0.426 -2.762 -12.704 346 HG2 GLU 47 2HG GLU 47 -2.174 -4.671 -11.899 347 HG3 GLU 47 3HG GLU 47 -2.982 -4.174 -13.374 348 H HIS 48 H HIS 48 -3.709 -3.136 -9.810 349 HA HIS 48 HA HIS 48 -6.025 -1.554 -10.868 350 HB2 HIS 48 2HB HIS 48 -5.720 -4.393 -9.846 351 HB3 HIS 48 3HB HIS 48 -7.270 -3.584 -9.912 352 HD2 HIS 48 2HD HIS 48 -5.124 -5.738 -11.858 353 HE1 HIS 48 1HE HIS 48 -7.747 -3.996 -14.763 354 HE2 HIS 48 2HE HIS 48 -6.048 -5.838 -14.374 355 H CYS 49 H CYS 49 -3.877 -1.865 -8.406 356 HA CYS 49 HA CYS 49 -5.655 -0.918 -6.242 357 HB2 CYS 49 2HB CYS 49 -3.453 -3.009 -6.260 358 HB3 CYS 49 3HB CYS 49 -4.094 -2.420 -4.904 359 H GLY 50 H GLY 50 -3.640 0.439 -8.208 360 HA2 GLY 50 1HA GLY 50 -1.687 1.275 -6.190 361 HA3 GLY 50 2HA GLY 50 -1.526 1.709 -7.808 362 H HIS 51 H HIS 51 -4.775 2.429 -7.113 363 HA HIS 51 HA HIS 51 -4.440 4.943 -5.691 364 HB2 HIS 51 2HB HIS 51 -6.778 4.803 -5.275 365 HB3 HIS 51 3HB HIS 51 -6.486 4.265 -6.937 366 HD2 HIS 51 2HD HIS 51 -8.496 3.296 -4.014 367 HE1 HIS 51 1HE HIS 51 -7.919 -0.368 -6.106 368 HE2 HIS 51 2HE HIS 51 -9.283 0.823 -4.277 369 H LEU 52 H LEU 52 -4.939 1.551 -4.712 370 HA LEU 52 HA LEU 52 -4.507 2.111 -1.889 371 HB2 LEU 52 2HB LEU 52 -4.894 -0.318 -3.665 372 HB3 LEU 52 3HB LEU 52 -3.913 -0.708 -2.420 373 HG LEU 52 HG LEU 52 -6.758 -0.551 -2.613 374 HD11 LEU 52 1HD1 LEU 52 -5.264 -0.818 0.025 375 HD12 LEU 52 2HD1 LEU 52 -5.417 -2.121 -1.167 376 HD13 LEU 52 3HD1 LEU 52 -6.861 -1.465 -0.389 377 HD21 LEU 52 3HD2 LEU 52 -7.556 0.830 -0.806 378 HD22 LEU 52 1HD2 LEU 52 -6.726 1.839 -2.021 379 HD23 LEU 52 2HD2 LEU 52 -5.919 1.446 -0.494 380 H ILE 53 H ILE 53 -2.196 1.440 -4.460 381 HA ILE 53 HA ILE 53 0.013 1.309 -2.621 382 HB ILE 53 HB ILE 53 0.007 2.343 -5.472 383 HG12 ILE 53 2HG1 ILE 53 1.213 -0.205 -4.439 384 HG13 ILE 53 3HG1 ILE 53 -0.481 -0.193 -4.621 385 HG21 ILE 53 1HG2 ILE 53 2.485 1.983 -5.365 386 HG22 ILE 53 2HG2 ILE 53 1.947 3.314 -4.353 387 HG23 ILE 53 3HG2 ILE 53 2.347 1.752 -3.608 388 HD11 ILE 53 3HD1 ILE 53 1.745 -0.109 -6.648 389 HD12 ILE 53 1HD1 ILE 53 0.271 -1.091 -6.645 390 HD13 ILE 53 2HD1 ILE 53 0.217 0.623 -7.140 391 H GLU 54 H GLU 54 -1.340 4.176 -4.341 392 HA GLU 54 HA GLU 54 0.561 6.032 -3.478 393 HB2 GLU 54 2HB GLU 54 -2.312 6.578 -4.226 394 HB3 GLU 54 3HB GLU 54 -0.993 7.722 -4.283 395 HG2 GLU 54 2HG GLU 54 -0.462 5.261 -5.884 396 HG3 GLU 54 3HG GLU 54 -1.891 6.168 -6.418 397 H ALA 55 H ALA 55 -2.650 5.280 -2.124 398 HA ALA 55 HA ALA 55 -2.683 7.297 -0.178 399 HB1 ALA 55 1HB ALA 55 -3.948 4.493 -0.361 400 HB2 ALA 55 2HB ALA 55 -4.374 5.677 0.908 401 HB3 ALA 55 3HB ALA 55 -4.684 6.038 -0.800 402 H HIS 56 H HIS 56 -1.553 3.994 -0.154 403 HA HIS 56 HA HIS 56 -0.586 3.967 2.607 404 HB2 HIS 56 2HB HIS 56 -0.470 1.894 0.376 405 HB3 HIS 56 3HB HIS 56 0.017 1.636 2.105 406 HD2 HIS 56 2HD HIS 56 -2.657 0.120 0.696 407 HE1 HIS 56 1HE HIS 56 -5.095 2.871 2.828 408 HE2 HIS 56 2HE HIS 56 -5.090 0.684 1.553 409 H LYS 57 H LYS 57 0.857 4.458 -0.547 410 HA LYS 57 HA LYS 57 3.466 4.172 -0.134 411 HB2 LYS 57 2HB LYS 57 1.801 4.837 -2.091 412 HB3 LYS 57 3HB LYS 57 2.135 6.399 -1.828 413 HG2 LYS 57 2HG LYS 57 4.697 5.466 -2.110 414 HG3 LYS 57 3HG LYS 57 3.743 4.045 -2.645 415 HD2 LYS 57 2HD LYS 57 2.606 5.535 -4.343 416 HD3 LYS 57 3HD LYS 57 3.596 6.877 -3.775 417 HE2 LYS 57 2HE LYS 57 5.630 5.682 -4.509 418 HE3 LYS 57 3HE LYS 57 4.638 4.318 -5.064 419 HZ1 LYS 57 3HZ LYS 57 3.604 5.685 -6.655 420 HZ2 LYS 57 1HZ LYS 57 5.216 5.894 -6.852 421 HZ3 LYS 57 2HZ LYS 57 4.270 7.072 -6.110 422 H GLU 58 H GLU 58 1.554 7.186 0.329 423 HA GLU 58 HA GLU 58 3.245 8.860 1.657 424 HB2 GLU 58 2HB GLU 58 0.403 8.394 1.388 425 HB3 GLU 58 3HB GLU 58 0.708 8.551 3.114 426 HG2 GLU 58 2HG GLU 58 2.116 10.447 2.690 427 HG3 GLU 58 3HG GLU 58 1.773 10.373 1.012 428 H CYS 59 H CYS 59 1.451 6.236 3.082 429 HA CYS 59 HA CYS 59 2.229 6.974 5.561 430 HB2 CYS 59 2HB CYS 59 0.277 5.562 5.022 431 HB3 CYS 59 3HB CYS 59 1.246 4.174 4.644 432 H MET 60 H MET 60 3.507 4.395 3.481 433 HA MET 60 HA MET 60 5.761 3.538 5.045 434 HB2 MET 60 2HB MET 60 4.886 3.373 2.156 435 HB3 MET 60 3HB MET 60 6.555 2.998 2.581 436 HG2 MET 60 2HG MET 60 5.327 0.940 2.656 437 HG3 MET 60 3HG MET 60 5.799 1.399 4.282 438 HE1 MET 60 3HE MET 60 2.651 1.394 1.793 439 HE2 MET 60 1HE MET 60 3.223 -0.212 2.306 440 HE3 MET 60 2HE MET 60 1.643 0.390 2.861 441 H ARG 61 H ARG 61 5.566 6.291 2.591 442 HA ARG 61 HA ARG 61 8.385 6.737 2.641 443 HB2 ARG 61 2HB ARG 61 8.047 8.447 1.310 444 HB3 ARG 61 3HB ARG 61 6.381 7.855 1.199 445 HG2 ARG 61 2HG ARG 61 5.770 9.632 2.894 446 HG3 ARG 61 3HG ARG 61 7.482 10.122 2.886 447 HD2 ARG 61 2HD ARG 61 7.286 10.430 0.372 448 HD3 ARG 61 3HD ARG 61 5.540 10.182 0.547 449 HE ARG 61 HE ARG 61 6.728 12.284 2.252 450 HH11 ARG 61 1HH1 ARG 61 5.413 11.809 -1.006 451 HH12 ARG 61 2HH1 ARG 61 4.929 13.480 -1.089 452 HH21 ARG 61 1HH2 ARG 61 6.113 14.433 1.919 453 HH22 ARG 61 2HH2 ARG 61 5.226 14.833 0.456 454 H ALA 62 H ALA 62 5.963 7.990 4.865 455 HA ALA 62 HA ALA 62 7.633 9.679 6.426 456 HB1 ALA 62 1HB ALA 62 5.934 9.355 8.175 457 HB2 ALA 62 2HB ALA 62 5.161 9.553 6.589 458 HB3 ALA 62 3HB ALA 62 5.292 7.942 7.322 459 H LEU 63 H LEU 63 7.526 6.155 6.371 460 HA LEU 63 HA LEU 63 9.010 5.672 8.815 461 HB2 LEU 63 2HB LEU 63 8.725 3.958 6.315 462 HB3 LEU 63 3HB LEU 63 9.282 3.440 7.839 463 HG LEU 63 HG LEU 63 6.466 4.336 7.078 464 HD11 LEU 63 1HD1 LEU 63 6.942 2.084 6.438 465 HD12 LEU 63 2HD1 LEU 63 5.726 2.145 7.696 466 HD13 LEU 63 3HD1 LEU 63 7.397 1.678 8.125 467 HD21 LEU 63 3HD2 LEU 63 5.806 3.734 9.397 468 HD22 LEU 63 1HD2 LEU 63 6.874 5.138 9.339 469 HD23 LEU 63 2HD2 LEU 63 7.552 3.543 9.782 470 H GLY 64 H GLY 64 10.064 7.103 5.996 471 HA2 GLY 64 1HA GLY 64 12.079 7.538 5.173 472 HA3 GLY 64 2HA GLY 64 12.917 6.539 6.385 473 H PHE 65 H PHE 65 10.291 5.413 4.301 474 HA PHE 65 HA PHE 65 12.030 3.359 3.085 475 HB2 PHE 65 2HB PHE 65 9.081 3.991 2.967 476 HB3 PHE 65 3HB PHE 65 9.783 2.769 1.982 477 HD1 PHE 65 2HD PHE 65 11.094 2.947 5.518 478 HD2 PHE 65 1HD PHE 65 8.058 1.339 2.899 479 HE1 PHE 65 2HE PHE 65 10.470 1.307 7.227 480 HE2 PHE 65 1HE PHE 65 7.329 -0.167 4.709 481 HZ PHE 65 HZ PHE 65 8.521 -0.155 6.886 482 H LYS 66 H LYS 66 11.162 3.044 0.605 483 HA LYS 66 HA LYS 66 12.881 5.054 -0.650 484 HB2 LYS 66 2HB LYS 66 12.040 2.432 -1.910 485 HB3 LYS 66 3HB LYS 66 13.503 3.367 -2.122 486 HG2 LYS 66 2HG LYS 66 14.380 1.732 -0.831 487 HG3 LYS 66 3HG LYS 66 13.848 2.758 0.491 488 HD2 LYS 66 2HD LYS 66 12.023 1.356 1.012 489 HD3 LYS 66 3HD LYS 66 11.970 0.616 -0.592 490 HE2 LYS 66 2HE LYS 66 14.339 0.235 1.263 491 HE3 LYS 66 3HE LYS 66 12.892 -0.786 1.373 492 HZ1 LYS 66 3HZ LYS 66 13.215 -1.401 -0.967 493 HZ2 LYS 66 1HZ LYS 66 14.582 -1.751 -0.120 494 HZ3 LYS 66 2HZ LYS 66 14.502 -0.445 -1.112 495 H ILE 67 H ILE 67 10.544 6.254 -0.388 496 HA ILE 67 HA ILE 67 8.960 5.939 -2.901 497 HB ILE 67 HB ILE 67 8.181 7.009 -0.193 498 HG12 ILE 67 2HG1 ILE 67 6.413 5.316 -0.160 499 HG13 ILE 67 3HG1 ILE 67 7.006 4.626 -1.666 500 HG21 ILE 67 1HG2 ILE 67 6.511 6.914 -2.751 501 HG22 ILE 67 2HG2 ILE 67 5.856 7.269 -1.122 502 HG23 ILE 67 3HG2 ILE 67 6.995 8.366 -1.857 503 HD11 ILE 67 3HD1 ILE 67 7.561 3.403 0.470 504 HD12 ILE 67 1HD1 ILE 67 8.934 3.738 -0.587 505 HD13 ILE 67 2HD1 ILE 67 8.648 4.759 0.860 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -4.817 7.034 -23.494 2 H2 GLY 1 H2 GLY 1 -4.441 6.278 -24.911 3 H3 GLY 1 H3 GLY 1 -3.240 6.827 -23.907 4 HA2 GLY 1 2HA GLY 1 -3.597 4.383 -23.810 5 HA3 GLY 1 1HA GLY 1 -3.692 5.258 -22.266 6 H SER 2 H SER 2 -5.117 2.775 -23.588 7 HA SER 2 HA SER 2 -7.738 3.196 -22.317 8 HB2 SER 2 2HB SER 2 -8.969 2.629 -24.454 9 HB3 SER 2 3HB SER 2 -8.218 4.226 -24.422 10 HG SER 2 HG SER 2 -7.829 3.077 -26.396 11 H PHE 3 H PHE 3 -5.377 1.052 -23.708 12 HA PHE 3 HA PHE 3 -6.525 -1.221 -22.246 13 HB2 PHE 3 2HB PHE 3 -6.299 -2.734 -24.214 14 HB3 PHE 3 3HB PHE 3 -7.566 -1.546 -24.370 15 HD1 PHE 3 1HD PHE 3 -4.220 -2.567 -25.646 16 HD2 PHE 3 2HD PHE 3 -7.520 0.183 -26.061 17 HE1 PHE 3 1HE PHE 3 -3.325 -1.823 -27.835 18 HE2 PHE 3 2HE PHE 3 -6.633 0.929 -28.251 19 HZ PHE 3 HZ PHE 3 -4.524 -0.073 -29.139 20 H THR 4 H THR 4 -4.689 -3.141 -23.202 21 HA THR 4 HA THR 4 -2.021 -2.114 -22.366 22 HB THR 4 HB THR 4 -3.065 -2.745 -20.289 23 HG1 THR 4 1HG THR 4 -1.658 -4.448 -19.714 24 HG21 THR 4 1HG2 THR 4 -3.646 -5.490 -21.483 25 HG22 THR 4 2HG2 THR 4 -4.854 -4.274 -21.033 26 HG23 THR 4 3HG2 THR 4 -3.859 -5.014 -19.785 27 H MET 5 H MET 5 -0.329 -3.884 -22.678 28 HA MET 5 HA MET 5 -0.896 -5.927 -24.681 29 HB2 MET 5 2HB MET 5 0.893 -3.531 -25.357 30 HB3 MET 5 3HB MET 5 0.835 -5.033 -26.276 31 HG2 MET 5 2HG MET 5 -1.597 -4.625 -26.735 32 HG3 MET 5 3HG MET 5 -1.443 -3.074 -25.907 33 HE1 MET 5 3HE MET 5 0.802 -5.008 -28.636 34 HE2 MET 5 1HE MET 5 -0.895 -5.083 -29.170 35 HE3 MET 5 2HE MET 5 0.279 -4.100 -30.071 36 HA PRO 6 HA PRO 6 2.285 -7.692 -22.259 37 HB2 PRO 6 2HB PRO 6 3.284 -9.740 -23.815 38 HB3 PRO 6 3HB PRO 6 1.635 -9.707 -23.132 39 HG2 PRO 6 2HG PRO 6 2.509 -8.847 -25.910 40 HG3 PRO 6 3HG PRO 6 1.178 -9.972 -25.466 41 HD2 PRO 6 2HD PRO 6 0.687 -7.363 -25.993 42 HD3 PRO 6 3HD PRO 6 -0.167 -8.191 -24.664 43 H GLY 7 H GLY 7 3.297 -5.485 -24.335 44 HA2 GLY 7 1HA GLY 7 6.197 -6.096 -24.446 45 HA3 GLY 7 2HA GLY 7 5.383 -4.662 -25.080 46 H LEU 8 H LEU 8 3.990 -4.726 -22.190 47 HA LEU 8 HA LEU 8 6.122 -4.090 -20.375 48 HB2 LEU 8 2HB LEU 8 5.664 -1.879 -19.928 49 HB3 LEU 8 3HB LEU 8 5.736 -1.910 -21.673 50 HG LEU 8 HG LEU 8 3.129 -1.893 -20.058 51 HD11 LEU 8 1HD1 LEU 8 4.506 0.149 -19.662 52 HD12 LEU 8 2HD1 LEU 8 3.004 0.483 -20.523 53 HD13 LEU 8 3HD1 LEU 8 4.532 0.439 -21.414 54 HD21 LEU 8 3HD2 LEU 8 2.760 -2.737 -22.302 55 HD22 LEU 8 1HD2 LEU 8 3.638 -1.352 -23.003 56 HD23 LEU 8 2HD2 LEU 8 2.099 -1.108 -22.149 57 H VAL 9 H VAL 9 4.895 -3.100 -18.315 58 HA VAL 9 HA VAL 9 2.321 -4.519 -17.792 59 HB VAL 9 HB VAL 9 4.426 -5.688 -16.998 60 HG11 VAL 9 1HG1 VAL 9 5.643 -3.758 -16.072 61 HG12 VAL 9 2HG1 VAL 9 4.436 -3.647 -14.769 62 HG13 VAL 9 3HG1 VAL 9 5.453 -5.085 -14.915 63 HG21 VAL 9 3HG2 VAL 9 2.331 -5.144 -14.866 64 HG22 VAL 9 1HG2 VAL 9 2.190 -6.320 -16.194 65 HG23 VAL 9 2HG2 VAL 9 3.430 -6.535 -14.944 66 H ASP 10 H ASP 10 3.523 -1.697 -18.169 67 HA ASP 10 HA ASP 10 3.688 0.330 -17.476 68 HB2 ASP 10 2HB ASP 10 1.197 -0.103 -18.047 69 HB3 ASP 10 3HB ASP 10 0.900 0.134 -16.335 70 H SER 11 H SER 11 3.029 -1.655 -14.717 71 HA SER 11 HA SER 11 3.236 0.190 -12.636 72 HB2 SER 11 2HB SER 11 2.291 -2.131 -12.626 73 HB3 SER 11 3HB SER 11 3.951 -2.768 -12.616 74 HG SER 11 HG SER 11 4.268 -1.524 -10.702 75 H ASN 12 H ASN 12 5.526 0.744 -14.338 76 HA ASN 12 HA ASN 12 7.664 1.488 -14.149 77 HB2 ASN 12 2HB ASN 12 6.691 1.852 -11.691 78 HB3 ASN 12 3HB ASN 12 7.987 0.722 -11.269 79 HD21 ASN 12 1HD2 ASN 12 7.302 3.545 -13.334 80 HD22 ASN 12 2HD2 ASN 12 8.781 4.394 -13.011 81 HA PRO 13 HA PRO 13 10.261 -1.992 -14.638 82 HB2 PRO 13 2HB PRO 13 12.771 -0.703 -14.744 83 HB3 PRO 13 3HB PRO 13 11.652 -0.918 -16.108 84 HG2 PRO 13 2HG PRO 13 12.332 1.590 -14.893 85 HG3 PRO 13 3HG PRO 13 11.040 1.274 -16.094 86 HD2 PRO 13 2HD PRO 13 10.869 1.387 -13.103 87 HD3 PRO 13 3HD PRO 13 9.682 1.958 -14.286 88 H ALA 14 H ALA 14 9.929 -3.021 -12.868 89 HA ALA 14 HA ALA 14 11.608 -4.503 -11.755 90 HB1 ALA 14 1HB ALA 14 13.156 -2.808 -11.121 91 HB2 ALA 14 2HB ALA 14 11.946 -2.018 -10.073 92 HB3 ALA 14 3HB ALA 14 12.607 -3.608 -9.629 93 HA PRO 15 HA PRO 15 8.230 -5.619 -8.963 94 HB2 PRO 15 2HB PRO 15 9.476 -7.417 -7.278 95 HB3 PRO 15 3HB PRO 15 9.051 -7.788 -8.972 96 HG2 PRO 15 2HG PRO 15 11.719 -6.853 -7.879 97 HG3 PRO 15 3HG PRO 15 11.398 -8.237 -8.975 98 HD2 PRO 15 2HD PRO 15 12.209 -5.821 -9.915 99 HD3 PRO 15 3HD PRO 15 11.016 -6.802 -10.811 100 HA PRO 16 HA PRO 16 8.706 -3.011 -5.385 101 HB2 PRO 16 2HB PRO 16 7.020 -4.032 -3.491 102 HB3 PRO 16 3HB PRO 16 6.468 -3.345 -5.040 103 HG2 PRO 16 2HG PRO 16 6.971 -6.271 -4.410 104 HG3 PRO 16 3HG PRO 16 5.499 -5.531 -5.122 105 HD2 PRO 16 2HD PRO 16 7.403 -6.647 -6.683 106 HD3 PRO 16 3HD PRO 16 6.579 -5.145 -7.186 107 H GLU 17 H GLU 17 10.925 -4.118 -5.545 108 HA GLU 17 HA GLU 17 12.036 -4.460 -2.845 109 HB2 GLU 17 2HB GLU 17 11.739 -6.690 -3.409 110 HB3 GLU 17 3HB GLU 17 12.378 -6.385 -5.004 111 HG2 GLU 17 2HG GLU 17 14.614 -6.255 -4.303 112 HG3 GLU 17 3HG GLU 17 14.156 -5.861 -2.644 113 H SER 18 H SER 18 12.664 -4.150 -6.320 114 HA SER 18 HA SER 18 14.526 -3.952 -7.523 115 HB2 SER 18 2HB SER 18 14.907 -1.581 -5.931 116 HB3 SER 18 3HB SER 18 15.883 -1.954 -7.413 117 HG SER 18 HG SER 18 14.238 -1.278 -8.592 118 H GLN 19 H GLN 19 15.823 -3.145 -4.306 119 HA GLN 19 HA GLN 19 17.093 -5.581 -3.942 120 HB2 GLN 19 2HB GLN 19 18.661 -4.013 -5.607 121 HB3 GLN 19 3HB GLN 19 19.389 -3.710 -3.994 122 HG2 GLN 19 2HG GLN 19 20.046 -5.967 -3.868 123 HG3 GLN 19 3HG GLN 19 18.766 -6.521 -4.940 124 HE21 GLN 19 1HE2 GLN 19 21.475 -4.112 -5.462 125 HE22 GLN 19 2HE2 GLN 19 21.975 -4.965 -6.926 126 H GLU 20 H GLU 20 17.769 -5.902 -1.840 127 HA GLU 20 HA GLU 20 17.552 -5.824 0.356 128 HB2 GLU 20 2HB GLU 20 19.268 -4.114 0.398 129 HB3 GLU 20 3HB GLU 20 18.045 -2.847 0.288 130 HG2 GLU 20 2HG GLU 20 17.070 -3.534 2.443 131 HG3 GLU 20 3HG GLU 20 18.163 -4.911 2.526 132 H LYS 21 H LYS 21 15.679 -6.511 1.084 133 HA LYS 21 HA LYS 21 13.464 -4.583 1.579 134 HB2 LYS 21 2HB LYS 21 13.100 -5.753 -0.562 135 HB3 LYS 21 3HB LYS 21 13.265 -7.320 0.239 136 HG2 LYS 21 2HG LYS 21 11.190 -6.959 1.469 137 HG3 LYS 21 3HG LYS 21 11.063 -5.303 0.856 138 HD2 LYS 21 2HD LYS 21 10.857 -6.107 -1.417 139 HD3 LYS 21 3HD LYS 21 11.118 -7.792 -0.917 140 HE2 LYS 21 2HE LYS 21 9.011 -7.841 0.272 141 HE3 LYS 21 3HE LYS 21 8.774 -6.101 0.060 142 HZ1 LYS 21 3HZ LYS 21 8.574 -6.429 -2.296 143 HZ2 LYS 21 1HZ LYS 21 7.488 -7.444 -1.518 144 HZ3 LYS 21 2HZ LYS 21 8.868 -8.044 -2.184 145 H LYS 22 H LYS 22 12.384 -4.912 3.421 146 HA LYS 22 HA LYS 22 12.913 -7.237 5.228 147 HB2 LYS 22 2HB LYS 22 13.267 -4.270 5.836 148 HB3 LYS 22 3HB LYS 22 13.144 -5.515 7.084 149 HG2 LYS 22 2HG LYS 22 15.213 -6.531 6.457 150 HG3 LYS 22 3HG LYS 22 15.335 -5.589 4.966 151 HD2 LYS 22 2HD LYS 22 15.733 -3.537 6.144 152 HD3 LYS 22 3HD LYS 22 15.252 -4.252 7.686 153 HE2 LYS 22 2HE LYS 22 17.645 -3.934 7.656 154 HE3 LYS 22 3HE LYS 22 17.249 -5.646 7.753 155 HZ1 LYS 22 3HZ LYS 22 19.032 -5.291 6.233 156 HZ2 LYS 22 1HZ LYS 22 18.250 -4.232 5.318 157 HZ3 LYS 22 2HZ LYS 22 17.779 -5.846 5.382 158 HA PRO 23 HA PRO 23 8.570 -5.755 4.497 159 HB2 PRO 23 2HB PRO 23 7.334 -8.017 3.633 160 HB3 PRO 23 3HB PRO 23 8.496 -7.110 2.613 161 HG2 PRO 23 2HG PRO 23 9.002 -9.608 4.252 162 HG3 PRO 23 3HG PRO 23 9.513 -9.259 2.577 163 HD2 PRO 23 2HD PRO 23 11.125 -8.910 4.817 164 HD3 PRO 23 3HD PRO 23 11.333 -8.001 3.307 165 H LEU 24 H LEU 24 9.436 -8.584 6.403 166 HA LEU 24 HA LEU 24 7.220 -8.555 8.270 167 HB2 LEU 24 2HB LEU 24 10.105 -9.544 8.344 168 HB3 LEU 24 3HB LEU 24 9.082 -9.587 9.759 169 HG LEU 24 HG LEU 24 9.216 -11.752 8.729 170 HD11 LEU 24 1HD1 LEU 24 6.408 -10.637 8.357 171 HD12 LEU 24 2HD1 LEU 24 7.142 -11.101 9.917 172 HD13 LEU 24 3HD1 LEU 24 6.873 -12.317 8.662 173 HD21 LEU 24 3HD2 LEU 24 9.516 -11.101 6.359 174 HD22 LEU 24 1HD2 LEU 24 7.790 -10.643 6.286 175 HD23 LEU 24 2HD2 LEU 24 8.253 -12.321 6.591 176 H LYS 25 H LYS 25 6.742 -6.893 9.505 177 HA LYS 25 HA LYS 25 8.775 -5.684 11.192 178 HB2 LYS 25 2HB LYS 25 6.879 -3.959 9.517 179 HB3 LYS 25 3HB LYS 25 7.699 -3.365 10.956 180 HG2 LYS 25 2HG LYS 25 9.094 -4.350 8.431 181 HG3 LYS 25 3HG LYS 25 8.817 -2.671 8.871 182 HD2 LYS 25 2HD LYS 25 10.231 -2.865 10.851 183 HD3 LYS 25 3HD LYS 25 10.468 -4.601 10.566 184 HE2 LYS 25 2HE LYS 25 11.580 -4.180 8.458 185 HE3 LYS 25 3HE LYS 25 11.326 -2.433 8.625 186 HZ1 LYS 25 3HZ LYS 25 12.698 -2.441 10.605 187 HZ2 LYS 25 1HZ LYS 25 13.567 -3.148 9.415 188 HZ3 LYS 25 2HZ LYS 25 12.857 -4.059 10.599 189 HA PRO 26 HA PRO 26 5.721 -7.249 13.662 190 HB2 PRO 26 2HB PRO 26 6.422 -6.489 16.196 191 HB3 PRO 26 3HB PRO 26 7.448 -7.524 15.160 192 HG2 PRO 26 2HG PRO 26 7.645 -4.516 15.551 193 HG3 PRO 26 3HG PRO 26 8.956 -5.739 15.674 194 HD2 PRO 26 2HD PRO 26 8.567 -4.331 13.384 195 HD3 PRO 26 3HD PRO 26 9.007 -6.065 13.342 196 H CYS 27 H CYS 27 5.672 -3.704 13.826 197 HA CYS 27 HA CYS 27 2.818 -3.714 14.500 198 HB2 CYS 27 2HB CYS 27 3.674 -4.091 16.723 199 HB3 CYS 27 3HB CYS 27 4.920 -2.848 16.543 200 HG CYS 27 HG CYS 27 1.630 -2.368 16.404 201 H CYS 28 H CYS 28 5.780 -1.640 14.352 202 HA CYS 28 HA CYS 28 4.227 0.650 13.382 203 HB2 CYS 28 2HB CYS 28 6.518 1.726 13.363 204 HB3 CYS 28 3HB CYS 28 6.124 1.010 14.928 205 HG CYS 28 HG CYS 28 8.758 0.611 14.193 206 H ALA 29 H ALA 29 5.511 1.865 11.491 207 HA ALA 29 HA ALA 29 5.303 2.070 9.260 208 HB1 ALA 29 1HB ALA 29 6.646 -0.636 9.046 209 HB2 ALA 29 2HB ALA 29 6.443 0.590 7.775 210 HB3 ALA 29 3HB ALA 29 7.472 0.943 9.188 211 H CYS 30 H CYS 30 3.110 1.841 10.103 212 HA CYS 30 HA CYS 30 0.871 1.271 9.683 213 HB2 CYS 30 2HB CYS 30 2.153 1.475 7.017 214 HB3 CYS 30 3HB CYS 30 0.530 1.956 7.476 215 HA PRO 31 HA PRO 31 0.658 -3.372 8.378 216 HB2 PRO 31 2HB PRO 31 -0.835 -3.851 10.610 217 HB3 PRO 31 3HB PRO 31 0.941 -4.124 10.580 218 HG2 PRO 31 2HG PRO 31 -0.588 -1.777 11.724 219 HG3 PRO 31 3HG PRO 31 0.795 -2.652 12.433 220 HD2 PRO 31 2HD PRO 31 1.071 -0.256 11.072 221 HD3 PRO 31 3HD PRO 31 2.342 -1.493 11.046 222 H GLU 32 H GLU 32 -1.517 -0.913 9.915 223 HA GLU 32 HA GLU 32 -3.821 -1.801 8.689 224 HB2 GLU 32 2HB GLU 32 -3.532 1.153 8.552 225 HB3 GLU 32 3HB GLU 32 -4.777 0.146 9.269 226 HG2 GLU 32 2HG GLU 32 -2.929 -0.267 11.156 227 HG3 GLU 32 3HG GLU 32 -2.170 1.142 10.442 228 H THR 33 H THR 33 -1.276 0.169 7.180 229 HA THR 33 HA THR 33 -2.825 0.396 4.709 230 HB THR 33 HB THR 33 -1.028 1.693 3.822 231 HG1 THR 33 1HG THR 33 0.755 2.187 5.032 232 HG21 THR 33 1HG2 THR 33 -2.738 2.709 5.373 233 HG22 THR 33 2HG2 THR 33 -1.250 3.615 5.174 234 HG23 THR 33 3HG2 THR 33 -1.512 2.645 6.650 235 H LYS 34 H LYS 34 0.446 -1.202 5.392 236 HA LYS 34 HA LYS 34 0.756 -2.496 2.940 237 HB2 LYS 34 2HB LYS 34 1.536 -4.355 4.204 238 HB3 LYS 34 3HB LYS 34 2.489 -2.963 4.054 239 HG2 LYS 34 2HG LYS 34 2.642 -2.805 6.195 240 HG3 LYS 34 3HG LYS 34 0.895 -2.957 6.471 241 HD2 LYS 34 2HD LYS 34 0.869 -5.278 6.497 242 HD3 LYS 34 3HD LYS 34 2.366 -5.422 5.643 243 HE2 LYS 34 2HE LYS 34 2.035 -4.593 8.579 244 HE3 LYS 34 3HE LYS 34 2.365 -6.229 8.042 245 HZ1 LYS 34 3HZ LYS 34 4.151 -3.881 7.603 246 HZ2 LYS 34 1HZ LYS 34 4.502 -5.429 7.154 247 HZ3 LYS 34 2HZ LYS 34 4.379 -5.032 8.746 248 H LYS 35 H LYS 35 -1.107 -3.590 5.759 249 HA LYS 35 HA LYS 35 -1.259 -6.148 4.663 250 HB2 LYS 35 2HB LYS 35 -1.314 -5.368 7.075 251 HB3 LYS 35 3HB LYS 35 -2.906 -4.810 6.907 252 HG2 LYS 35 2HG LYS 35 -3.234 -6.801 8.020 253 HG3 LYS 35 3HG LYS 35 -3.529 -7.262 6.395 254 HD2 LYS 35 2HD LYS 35 -2.311 -9.026 7.323 255 HD3 LYS 35 3HD LYS 35 -1.159 -8.194 6.239 256 HE2 LYS 35 2HE LYS 35 -0.011 -7.213 8.020 257 HE3 LYS 35 3HE LYS 35 -1.513 -7.136 8.968 258 HZ1 LYS 35 3HZ LYS 35 -0.397 -9.825 8.561 259 HZ2 LYS 35 1HZ LYS 35 -1.189 -9.200 9.844 260 HZ3 LYS 35 2HZ LYS 35 0.390 -8.851 9.611 261 H ALA 36 H ALA 36 -3.502 -3.500 4.968 262 HA ALA 36 HA ALA 36 -5.746 -4.519 3.425 263 HB1 ALA 36 1HB ALA 36 -5.929 -2.703 5.123 264 HB2 ALA 36 2HB ALA 36 -5.024 -1.630 4.028 265 HB3 ALA 36 3HB ALA 36 -6.607 -2.264 3.547 266 H ARG 37 H ARG 37 -2.871 -2.566 2.402 267 HA ARG 37 HA ARG 37 -3.499 -2.140 -0.393 268 HB2 ARG 37 2HB ARG 37 -1.111 -1.916 1.111 269 HB3 ARG 37 3HB ARG 37 -0.754 -3.332 0.260 270 HG2 ARG 37 2HG ARG 37 -1.910 -1.559 -1.647 271 HG3 ARG 37 3HG ARG 37 -0.804 -0.641 -0.671 272 HD2 ARG 37 2HD ARG 37 0.254 -1.374 -2.710 273 HD3 ARG 37 3HD ARG 37 0.923 -2.075 -1.232 274 HE ARG 37 HE ARG 37 -0.076 -4.119 -1.600 275 HH11 ARG 37 1HH1 ARG 37 1.543 -2.113 -3.977 276 HH12 ARG 37 2HH1 ARG 37 2.551 -3.403 -4.533 277 HH21 ARG 37 1HH2 ARG 37 1.368 -5.630 -2.201 278 HH22 ARG 37 2HH2 ARG 37 2.386 -5.415 -3.639 279 H ASP 38 H ASP 38 -1.894 -4.829 1.237 280 HA ASP 38 HA ASP 38 -1.578 -6.013 -1.202 281 HB2 ASP 38 2HB ASP 38 -0.941 -6.745 1.604 282 HB3 ASP 38 3HB ASP 38 -1.023 -8.128 0.468 283 H ALA 39 H ALA 39 -4.173 -6.524 1.230 284 HA ALA 39 HA ALA 39 -5.553 -8.728 0.165 285 HB1 ALA 39 1HB ALA 39 -7.525 -7.640 1.195 286 HB2 ALA 39 2HB ALA 39 -6.110 -7.429 2.251 287 HB3 ALA 39 3HB ALA 39 -6.671 -6.084 1.221 288 H CYS 40 H CYS 40 -5.787 -5.265 -1.055 289 HA CYS 40 HA CYS 40 -7.624 -5.942 -3.190 290 HB2 CYS 40 2HB CYS 40 -7.010 -3.720 -2.145 291 HB3 CYS 40 3HB CYS 40 -5.480 -3.828 -2.950 292 H ILE 41 H ILE 41 -4.086 -5.722 -2.969 293 HA ILE 41 HA ILE 41 -3.478 -6.197 -5.737 294 HB ILE 41 HB ILE 41 -1.850 -6.290 -3.225 295 HG12 ILE 41 2HG1 ILE 41 -0.700 -4.403 -4.549 296 HG13 ILE 41 3HG1 ILE 41 -1.945 -4.388 -5.616 297 HG21 ILE 41 1HG2 ILE 41 -0.911 -6.930 -6.035 298 HG22 ILE 41 2HG2 ILE 41 0.172 -6.499 -4.701 299 HG23 ILE 41 3HG2 ILE 41 -0.792 -7.959 -4.597 300 HD11 ILE 41 3HD1 ILE 41 -3.544 -3.730 -3.851 301 HD12 ILE 41 1HD1 ILE 41 -2.155 -3.652 -2.759 302 HD13 ILE 41 2HD1 ILE 41 -2.223 -2.589 -4.157 303 H ILE 42 H ILE 42 -3.999 -8.454 -3.067 304 HA ILE 42 HA ILE 42 -3.142 -10.918 -4.212 305 HB ILE 42 HB ILE 42 -5.170 -10.074 -2.105 306 HG12 ILE 42 2HG1 ILE 42 -2.610 -11.729 -1.887 307 HG13 ILE 42 3HG1 ILE 42 -2.567 -9.995 -1.763 308 HG21 ILE 42 1HG2 ILE 42 -4.617 -12.956 -2.883 309 HG22 ILE 42 2HG2 ILE 42 -5.420 -12.440 -1.377 310 HG23 ILE 42 3HG2 ILE 42 -6.169 -12.078 -2.911 311 HD11 ILE 42 3HD1 ILE 42 -2.457 -10.963 0.431 312 HD12 ILE 42 1HD1 ILE 42 -4.031 -10.173 0.285 313 HD13 ILE 42 2HD1 ILE 42 -3.903 -11.942 0.167 314 H GLU 43 H GLU 43 -6.014 -9.043 -4.742 315 HA GLU 43 HA GLU 43 -7.600 -11.227 -5.788 316 HB2 GLU 43 2HB GLU 43 -7.828 -9.755 -3.746 317 HB3 GLU 43 3HB GLU 43 -8.056 -8.373 -4.779 318 HG2 GLU 43 2HG GLU 43 -9.898 -10.780 -4.718 319 HG3 GLU 43 3HG GLU 43 -9.857 -9.407 -3.590 320 H LYS 44 H LYS 44 -6.734 -7.816 -6.608 321 HA LYS 44 HA LYS 44 -7.408 -8.402 -9.487 322 HB2 LYS 44 2HB LYS 44 -7.159 -5.667 -8.210 323 HB3 LYS 44 3HB LYS 44 -7.854 -6.136 -9.782 324 HG2 LYS 44 2HG LYS 44 -9.478 -7.615 -8.413 325 HG3 LYS 44 3HG LYS 44 -8.943 -6.682 -6.999 326 HD2 LYS 44 2HD LYS 44 -9.563 -4.591 -8.189 327 HD3 LYS 44 3HD LYS 44 -10.232 -5.570 -9.518 328 HE2 LYS 44 2HE LYS 44 -11.085 -5.645 -6.588 329 HE3 LYS 44 3HE LYS 44 -12.006 -4.875 -7.904 330 HZ1 LYS 44 3HZ LYS 44 -12.167 -7.152 -8.904 331 HZ2 LYS 44 1HZ LYS 44 -12.880 -7.019 -7.404 332 HZ3 LYS 44 2HZ LYS 44 -11.454 -7.761 -7.517 333 H GLY 45 H GLY 45 -5.088 -6.426 -7.668 334 HA2 GLY 45 1HA GLY 45 -2.646 -7.265 -8.139 335 HA3 GLY 45 2HA GLY 45 -3.030 -6.780 -9.789 336 H GLU 46 H GLU 46 -0.950 -5.489 -8.773 337 HA GLU 46 HA GLU 46 -1.526 -3.001 -7.297 338 HB2 GLU 46 2HB GLU 46 0.826 -4.136 -8.933 339 HB3 GLU 46 3HB GLU 46 0.880 -2.527 -8.223 340 HG2 GLU 46 2HG GLU 46 0.599 -3.358 -6.021 341 HG3 GLU 46 3HG GLU 46 0.152 -4.964 -6.582 342 H GLU 47 H GLU 47 -1.283 -4.053 -10.618 343 HA GLU 47 HA GLU 47 -1.723 -1.714 -12.113 344 HB2 GLU 47 2HB GLU 47 -2.526 -3.265 -13.797 345 HB3 GLU 47 3HB GLU 47 -1.030 -3.799 -13.051 346 HG2 GLU 47 2HG GLU 47 -3.508 -4.875 -11.780 347 HG3 GLU 47 3HG GLU 47 -3.239 -5.344 -13.455 348 H HIS 48 H HIS 48 -3.930 -3.095 -9.846 349 HA HIS 48 HA HIS 48 -6.294 -1.715 -11.063 350 HB2 HIS 48 2HB HIS 48 -5.885 -4.446 -9.822 351 HB3 HIS 48 3HB HIS 48 -7.449 -3.685 -9.762 352 HD2 HIS 48 2HD HIS 48 -5.509 -5.948 -11.835 353 HE1 HIS 48 1HE HIS 48 -8.517 -4.470 -14.470 354 HE2 HIS 48 2HE HIS 48 -6.731 -6.266 -14.157 355 H CYS 49 H CYS 49 -4.101 -1.894 -8.537 356 HA CYS 49 HA CYS 49 -5.848 -0.660 -6.492 357 HB2 CYS 49 2HB CYS 49 -3.697 -2.797 -6.297 358 HB3 CYS 49 3HB CYS 49 -4.374 -2.126 -5.009 359 H GLY 50 H GLY 50 -3.503 0.501 -8.422 360 HA2 GLY 50 1HA GLY 50 -1.621 1.161 -6.319 361 HA3 GLY 50 2HA GLY 50 -1.396 1.698 -7.886 362 H HIS 51 H HIS 51 -4.588 2.595 -6.843 363 HA HIS 51 HA HIS 51 -3.879 5.069 -5.429 364 HB2 HIS 51 2HB HIS 51 -6.233 5.235 -5.029 365 HB3 HIS 51 3HB HIS 51 -6.072 4.581 -6.667 366 HD2 HIS 51 2HD HIS 51 -7.864 3.944 -3.475 367 HE1 HIS 51 1HE HIS 51 -7.726 0.082 -5.274 368 HE2 HIS 51 2HE HIS 51 -8.730 1.474 -3.373 369 H LEU 52 H LEU 52 -4.770 1.707 -4.574 370 HA LEU 52 HA LEU 52 -4.322 2.074 -1.721 371 HB2 LEU 52 2HB LEU 52 -4.898 -0.277 -3.582 372 HB3 LEU 52 3HB LEU 52 -3.983 -0.727 -2.320 373 HG LEU 52 HG LEU 52 -6.817 -0.278 -2.577 374 HD11 LEU 52 1HD1 LEU 52 -5.609 -2.143 -1.360 375 HD12 LEU 52 2HD1 LEU 52 -7.022 -1.486 -0.526 376 HD13 LEU 52 3HD1 LEU 52 -5.396 -1.024 -0.004 377 HD21 LEU 52 3HD2 LEU 52 -5.708 1.308 -0.258 378 HD22 LEU 52 1HD2 LEU 52 -7.419 0.917 -0.560 379 HD23 LEU 52 2HD2 LEU 52 -6.517 1.998 -1.677 380 H ILE 53 H ILE 53 -2.126 1.220 -4.395 381 HA ILE 53 HA ILE 53 0.138 1.176 -2.610 382 HB ILE 53 HB ILE 53 -0.001 2.205 -5.469 383 HG12 ILE 53 2HG1 ILE 53 1.336 -0.291 -4.585 384 HG13 ILE 53 3HG1 ILE 53 -0.379 -0.361 -4.582 385 HG21 ILE 53 1HG2 ILE 53 2.406 1.696 -3.698 386 HG22 ILE 53 2HG2 ILE 53 2.468 1.878 -5.465 387 HG23 ILE 53 3HG2 ILE 53 1.936 3.235 -4.473 388 HD11 ILE 53 3HD1 ILE 53 -0.357 -0.532 -6.925 389 HD12 ILE 53 1HD1 ILE 53 0.954 0.672 -7.094 390 HD13 ILE 53 2HD1 ILE 53 1.323 -1.001 -6.649 391 H GLU 54 H GLU 54 -1.262 4.108 -4.313 392 HA GLU 54 HA GLU 54 0.571 5.902 -3.263 393 HB2 GLU 54 2HB GLU 54 -2.247 6.263 -4.298 394 HB3 GLU 54 3HB GLU 54 -1.301 7.614 -3.669 395 HG2 GLU 54 2HG GLU 54 0.555 7.012 -5.244 396 HG3 GLU 54 3HG GLU 54 -0.446 5.779 -5.969 397 H ALA 55 H ALA 55 -2.679 5.264 -1.902 398 HA ALA 55 HA ALA 55 -2.525 7.170 0.161 399 HB1 ALA 55 1HB ALA 55 -4.599 5.994 -0.406 400 HB2 ALA 55 2HB ALA 55 -3.889 4.403 -0.072 401 HB3 ALA 55 3HB ALA 55 -4.214 5.545 1.266 402 H HIS 56 H HIS 56 -1.571 3.800 0.089 403 HA HIS 56 HA HIS 56 -0.481 3.618 2.741 404 HB2 HIS 56 2HB HIS 56 -0.397 1.743 0.339 405 HB3 HIS 56 3HB HIS 56 0.046 1.322 1.944 406 HD2 HIS 56 2HD HIS 56 -2.451 -0.246 0.772 407 HE1 HIS 56 1HE HIS 56 -4.979 2.204 3.130 408 HE2 HIS 56 2HE HIS 56 -4.798 -0.020 1.884 409 H LYS 57 H LYS 57 0.988 4.108 -0.465 410 HA LYS 57 HA LYS 57 3.607 3.805 -0.097 411 HB2 LYS 57 2HB LYS 57 1.945 4.494 -2.008 412 HB3 LYS 57 3HB LYS 57 2.188 6.072 -1.612 413 HG2 LYS 57 2HG LYS 57 4.759 5.431 -1.976 414 HG3 LYS 57 3HG LYS 57 3.971 3.938 -2.617 415 HD2 LYS 57 2HD LYS 57 2.736 5.285 -4.279 416 HD3 LYS 57 3HD LYS 57 3.205 6.762 -3.462 417 HE2 LYS 57 2HE LYS 57 4.262 6.698 -5.430 418 HE3 LYS 57 3HE LYS 57 5.523 6.543 -4.193 419 HZ1 LYS 57 3HZ LYS 57 5.759 5.200 -6.244 420 HZ2 LYS 57 1HZ LYS 57 4.424 4.349 -5.875 421 HZ3 LYS 57 2HZ LYS 57 5.777 4.242 -4.901 422 H GLU 58 H GLU 58 1.757 6.845 0.444 423 HA GLU 58 HA GLU 58 4.135 8.080 1.509 424 HB2 GLU 58 2HB GLU 58 3.216 9.869 2.357 425 HB3 GLU 58 3HB GLU 58 2.647 9.621 0.699 426 HG2 GLU 58 2HG GLU 58 0.561 9.147 1.375 427 HG3 GLU 58 3HG GLU 58 0.940 8.758 3.060 428 H CYS 59 H CYS 59 1.565 6.417 3.112 429 HA CYS 59 HA CYS 59 2.352 6.726 5.781 430 HB2 CYS 59 2HB CYS 59 0.311 5.583 4.789 431 HB3 CYS 59 3HB CYS 59 1.212 4.107 4.635 432 H MET 60 H MET 60 3.646 4.336 3.408 433 HA MET 60 HA MET 60 5.781 3.474 5.183 434 HB2 MET 60 2HB MET 60 5.108 3.172 2.258 435 HB3 MET 60 3HB MET 60 6.789 2.963 2.733 436 HG2 MET 60 2HG MET 60 5.824 0.815 2.841 437 HG3 MET 60 3HG MET 60 6.100 1.358 4.490 438 HE1 MET 60 3HE MET 60 3.232 1.554 1.735 439 HE2 MET 60 1HE MET 60 3.707 -0.142 1.970 440 HE3 MET 60 2HE MET 60 2.092 0.406 2.472 441 H ARG 61 H ARG 61 5.805 5.976 2.549 442 HA ARG 61 HA ARG 61 8.537 6.697 2.742 443 HB2 ARG 61 2HB ARG 61 6.919 7.527 0.986 444 HB3 ARG 61 3HB ARG 61 6.103 8.494 2.214 445 HG2 ARG 61 2HG ARG 61 7.966 9.926 2.534 446 HG3 ARG 61 3HG ARG 61 9.039 8.871 1.613 447 HD2 ARG 61 2HD ARG 61 7.936 9.488 -0.478 448 HD3 ARG 61 3HD ARG 61 6.596 10.225 0.397 449 HE ARG 61 HE ARG 61 7.752 12.168 0.380 450 HH11 ARG 61 1HH1 ARG 61 10.352 9.753 0.107 451 HH12 ARG 61 2HH1 ARG 61 11.548 10.925 0.609 452 HH21 ARG 61 1HH2 ARG 61 9.374 13.548 0.913 453 HH22 ARG 61 2HH2 ARG 61 11.021 12.950 0.941 454 H ALA 62 H ALA 62 5.869 7.937 4.754 455 HA ALA 62 HA ALA 62 7.082 10.035 6.031 456 HB1 ALA 62 1HB ALA 62 4.727 9.373 6.298 457 HB2 ALA 62 2HB ALA 62 5.213 7.949 7.247 458 HB3 ALA 62 3HB ALA 62 5.495 9.583 7.883 459 H LEU 63 H LEU 63 7.759 6.657 6.670 460 HA LEU 63 HA LEU 63 9.255 6.828 9.117 461 HB2 LEU 63 2HB LEU 63 9.260 4.918 6.747 462 HB3 LEU 63 3HB LEU 63 10.184 4.618 8.175 463 HG LEU 63 HG LEU 63 7.907 3.428 7.757 464 HD11 LEU 63 1HD1 LEU 63 8.727 4.544 10.466 465 HD12 LEU 63 2HD1 LEU 63 9.353 3.073 9.686 466 HD13 LEU 63 3HD1 LEU 63 7.660 3.143 10.213 467 HD21 LEU 63 3HD2 LEU 63 6.875 5.858 9.269 468 HD22 LEU 63 1HD2 LEU 63 5.992 4.358 8.940 469 HD23 LEU 63 2HD2 LEU 63 6.449 5.397 7.602 470 H GLY 64 H GLY 64 10.073 8.172 6.121 471 HA2 GLY 64 1HA GLY 64 11.963 8.715 5.002 472 HA3 GLY 64 2HA GLY 64 12.952 8.398 6.456 473 H PHE 65 H PHE 65 10.743 6.300 4.595 474 HA PHE 65 HA PHE 65 12.824 4.244 4.158 475 HB2 PHE 65 2HB PHE 65 9.917 4.474 3.329 476 HB3 PHE 65 3HB PHE 65 10.907 3.176 2.804 477 HD1 PHE 65 1HD PHE 65 12.127 3.546 6.088 478 HD2 PHE 65 2HD PHE 65 8.664 2.238 3.861 479 HE1 PHE 65 1HE PHE 65 11.520 2.024 7.925 480 HE2 PHE 65 2HE PHE 65 8.043 0.721 5.726 481 HZ PHE 65 HZ PHE 65 9.479 0.601 7.757 482 H LYS 66 H LYS 66 12.311 3.379 1.710 483 HA LYS 66 HA LYS 66 13.866 5.081 -0.045 484 HB2 LYS 66 2HB LYS 66 14.290 3.151 -1.326 485 HB3 LYS 66 3HB LYS 66 14.816 3.122 0.373 486 HG2 LYS 66 2HG LYS 66 12.482 1.936 0.834 487 HG3 LYS 66 3HG LYS 66 12.389 1.840 -0.895 488 HD2 LYS 66 2HD LYS 66 14.714 1.106 0.851 489 HD3 LYS 66 3HD LYS 66 13.407 -0.079 0.593 490 HE2 LYS 66 2HE LYS 66 14.000 -0.217 -1.826 491 HE3 LYS 66 3HE LYS 66 15.281 0.974 -1.595 492 HZ1 LYS 66 3HZ LYS 66 15.197 -1.722 -0.310 493 HZ2 LYS 66 1HZ LYS 66 16.399 -0.629 -0.097 494 HZ3 LYS 66 2HZ LYS 66 16.138 -1.368 -1.551 495 H ILE 67 H ILE 67 11.192 5.591 0.438 496 HA ILE 67 HA ILE 67 9.988 5.509 -2.278 497 HB ILE 67 HB ILE 67 8.651 6.301 0.322 498 HG12 ILE 67 2HG1 ILE 67 7.234 4.410 0.307 499 HG13 ILE 67 3HG1 ILE 67 7.839 3.833 -1.229 500 HG21 ILE 67 1HG2 ILE 67 7.704 7.423 -1.678 501 HG22 ILE 67 2HG2 ILE 67 7.503 5.852 -2.467 502 HG23 ILE 67 3HG2 ILE 67 6.543 6.269 -1.014 503 HD11 ILE 67 3HD1 ILE 67 9.869 3.040 -0.252 504 HD12 ILE 67 1HD1 ILE 67 9.541 3.937 1.242 505 HD13 ILE 67 2HD1 ILE 67 8.547 2.532 0.809 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 41.707 -17.891 -23.793 2 H2 GLY 1 H2 GLY 1 42.612 -17.683 -22.428 3 H3 GLY 1 H3 GLY 1 40.973 -17.528 -22.377 4 HA2 GLY 1 2HA GLY 1 42.465 -20.013 -22.875 5 HA3 GLY 1 1HA GLY 1 41.510 -19.624 -21.425 6 H SER 2 H SER 2 39.672 -20.914 -21.515 7 HA SER 2 HA SER 2 37.900 -20.527 -23.881 8 HB2 SER 2 2HB SER 2 38.438 -23.242 -22.614 9 HB3 SER 2 3HB SER 2 37.312 -22.891 -23.939 10 HG SER 2 HG SER 2 39.244 -22.074 -25.088 11 H PHE 3 H PHE 3 37.845 -19.254 -21.297 12 HA PHE 3 HA PHE 3 35.201 -20.055 -20.266 13 HB2 PHE 3 2HB PHE 3 37.039 -21.482 -19.180 14 HB3 PHE 3 3HB PHE 3 37.643 -20.002 -18.453 15 HD1 PHE 3 1HD PHE 3 34.351 -21.815 -18.908 16 HD2 PHE 3 2HD PHE 3 36.960 -19.676 -16.214 17 HE1 PHE 3 1HE PHE 3 32.712 -22.116 -17.072 18 HE2 PHE 3 2HE PHE 3 35.339 -20.007 -14.378 19 HZ PHE 3 HZ PHE 3 33.209 -21.228 -14.794 20 H THR 4 H THR 4 35.096 -18.515 -17.957 21 HA THR 4 HA THR 4 35.932 -15.760 -18.659 22 HB THR 4 HB THR 4 33.778 -14.813 -18.105 23 HG1 THR 4 1HG THR 4 32.847 -17.485 -18.123 24 HG21 THR 4 1HG2 THR 4 33.402 -16.843 -20.338 25 HG22 THR 4 2HG2 THR 4 34.257 -15.294 -20.492 26 HG23 THR 4 3HG2 THR 4 32.529 -15.313 -20.097 27 H MET 5 H MET 5 35.410 -14.261 -16.729 28 HA MET 5 HA MET 5 36.266 -13.728 -14.679 29 HB2 MET 5 2HB MET 5 33.754 -14.190 -14.555 30 HB3 MET 5 3HB MET 5 34.161 -15.684 -13.712 31 HG2 MET 5 2HG MET 5 33.645 -13.956 -12.098 32 HG3 MET 5 3HG MET 5 35.360 -14.318 -11.979 33 HE1 MET 5 3HE MET 5 36.246 -12.216 -10.807 34 HE2 MET 5 1HE MET 5 35.612 -10.583 -11.105 35 HE3 MET 5 2HE MET 5 34.530 -11.858 -10.494 36 HA PRO 6 HA PRO 6 38.633 -17.770 -14.075 37 HB2 PRO 6 2HB PRO 6 41.206 -17.010 -14.698 38 HB3 PRO 6 3HB PRO 6 39.984 -17.506 -15.904 39 HG2 PRO 6 2HG PRO 6 40.702 -14.683 -15.038 40 HG3 PRO 6 3HG PRO 6 40.578 -15.330 -16.707 41 HD2 PRO 6 2HD PRO 6 38.515 -13.984 -15.578 42 HD3 PRO 6 3HD PRO 6 38.222 -15.431 -16.593 43 H GLY 7 H GLY 7 38.852 -14.759 -12.471 44 HA2 GLY 7 1HA GLY 7 41.004 -15.301 -10.599 45 HA3 GLY 7 2HA GLY 7 39.769 -14.040 -10.475 46 H LEU 8 H LEU 8 37.498 -15.959 -10.534 47 HA LEU 8 HA LEU 8 37.911 -17.935 -8.506 48 HB2 LEU 8 2HB LEU 8 36.283 -17.276 -6.951 49 HB3 LEU 8 3HB LEU 8 37.535 -16.050 -6.993 50 HG LEU 8 HG LEU 8 34.762 -15.753 -8.244 51 HD11 LEU 8 1HD1 LEU 8 35.894 -14.605 -5.665 52 HD12 LEU 8 2HD1 LEU 8 34.678 -15.889 -5.796 53 HD13 LEU 8 3HD1 LEU 8 34.301 -14.257 -6.353 54 HD21 LEU 8 3HD2 LEU 8 36.305 -14.252 -9.382 55 HD22 LEU 8 1HD2 LEU 8 37.000 -13.722 -7.830 56 HD23 LEU 8 2HD2 LEU 8 35.326 -13.306 -8.268 57 H VAL 9 H VAL 9 36.403 -19.490 -8.561 58 HA VAL 9 HA VAL 9 35.018 -19.893 -10.997 59 HB VAL 9 HB VAL 9 34.500 -22.089 -10.139 60 HG11 VAL 9 1HG1 VAL 9 37.231 -21.248 -9.056 61 HG12 VAL 9 2HG1 VAL 9 36.734 -22.862 -9.601 62 HG13 VAL 9 3HG1 VAL 9 36.867 -21.546 -10.772 63 HG21 VAL 9 3HG2 VAL 9 35.071 -22.769 -7.812 64 HG22 VAL 9 1HG2 VAL 9 35.353 -21.067 -7.385 65 HG23 VAL 9 2HG2 VAL 9 33.735 -21.620 -7.862 66 H ASP 10 H ASP 10 33.851 -17.844 -8.940 67 HA ASP 10 HA ASP 10 31.897 -17.081 -8.091 68 HB2 ASP 10 2HB ASP 10 31.275 -17.559 -10.618 69 HB3 ASP 10 3HB ASP 10 30.234 -18.779 -9.923 70 H SER 11 H SER 11 29.502 -18.106 -7.383 71 HA SER 11 HA SER 11 28.330 -19.458 -6.009 72 HB2 SER 11 2HB SER 11 29.874 -21.737 -7.255 73 HB3 SER 11 3HB SER 11 28.195 -21.717 -6.720 74 HG SER 11 HG SER 11 29.374 -20.556 -8.988 75 H ASN 12 H ASN 12 31.269 -18.930 -4.887 76 HA ASN 12 HA ASN 12 32.191 -21.172 -3.629 77 HB2 ASN 12 2HB ASN 12 32.534 -18.249 -2.937 78 HB3 ASN 12 3HB ASN 12 33.462 -19.494 -2.131 79 HD21 ASN 12 1HD2 ASN 12 34.428 -21.229 -3.720 80 HD22 ASN 12 2HD2 ASN 12 35.023 -20.562 -5.221 81 HA PRO 13 HA PRO 13 30.012 -22.310 -0.102 82 HB2 PRO 13 2HB PRO 13 32.445 -22.458 1.619 83 HB3 PRO 13 3HB PRO 13 31.325 -23.760 1.124 84 HG2 PRO 13 2HG PRO 13 33.806 -23.559 0.009 85 HG3 PRO 13 3HG PRO 13 32.379 -23.989 -0.994 86 HD2 PRO 13 2HD PRO 13 33.612 -21.248 -0.582 87 HD3 PRO 13 3HD PRO 13 33.251 -22.038 -2.129 88 H ALA 14 H ALA 14 28.668 -20.989 0.886 89 HA ALA 14 HA ALA 14 29.549 -18.925 2.820 90 HB1 ALA 14 1HB ALA 14 28.004 -18.410 0.231 91 HB2 ALA 14 2HB ALA 14 28.325 -17.198 1.486 92 HB3 ALA 14 3HB ALA 14 29.672 -17.899 0.568 93 HA PRO 15 HA PRO 15 25.606 -20.045 4.636 94 HB2 PRO 15 2HB PRO 15 24.903 -17.769 6.012 95 HB3 PRO 15 3HB PRO 15 26.264 -18.821 6.501 96 HG2 PRO 15 2HG PRO 15 26.358 -16.279 4.857 97 HG3 PRO 15 3HG PRO 15 27.356 -16.702 6.283 98 HD2 PRO 15 2HD PRO 15 28.244 -17.047 3.735 99 HD3 PRO 15 3HD PRO 15 28.666 -18.208 5.024 100 HA PRO 16 HA PRO 16 22.370 -18.332 2.006 101 HB2 PRO 16 2HB PRO 16 20.072 -18.540 3.454 102 HB3 PRO 16 3HB PRO 16 21.012 -19.928 2.843 103 HG2 PRO 16 2HG PRO 16 21.148 -18.689 5.617 104 HG3 PRO 16 3HG PRO 16 20.894 -20.417 5.202 105 HD2 PRO 16 2HD PRO 16 23.355 -19.432 5.811 106 HD3 PRO 16 3HD PRO 16 23.147 -20.687 4.557 107 H GLU 17 H GLU 17 23.846 -16.274 2.565 108 HA GLU 17 HA GLU 17 22.177 -14.106 3.622 109 HB2 GLU 17 2HB GLU 17 24.144 -12.943 3.855 110 HB3 GLU 17 3HB GLU 17 24.346 -14.512 4.599 111 HG2 GLU 17 2HG GLU 17 25.665 -15.210 2.614 112 HG3 GLU 17 3HG GLU 17 25.443 -13.604 1.928 113 H SER 18 H SER 18 23.350 -15.284 0.518 114 HA SER 18 HA SER 18 22.830 -12.709 -0.819 115 HB2 SER 18 2HB SER 18 24.570 -14.400 -1.577 116 HB3 SER 18 3HB SER 18 23.234 -15.406 -2.160 117 HG SER 18 HG SER 18 24.039 -14.026 -3.819 118 H GLN 19 H GLN 19 21.118 -15.734 -0.252 119 HA GLN 19 HA GLN 19 19.095 -15.054 -2.294 120 HB2 GLN 19 2HB GLN 19 18.812 -17.453 -2.565 121 HB3 GLN 19 3HB GLN 19 20.440 -16.898 -2.894 122 HG2 GLN 19 2HG GLN 19 19.801 -17.983 -0.148 123 HG3 GLN 19 3HG GLN 19 19.998 -19.096 -1.501 124 HE21 GLN 19 1HE2 GLN 19 22.141 -19.504 -2.333 125 HE22 GLN 19 2HE2 GLN 19 23.530 -18.762 -1.559 126 H GLU 20 H GLU 20 19.026 -14.605 0.863 127 HA GLU 20 HA GLU 20 16.374 -15.887 1.376 128 HB2 GLU 20 2HB GLU 20 18.352 -16.835 2.551 129 HB3 GLU 20 3HB GLU 20 18.709 -15.245 3.211 130 HG2 GLU 20 2HG GLU 20 17.696 -16.624 4.915 131 HG3 GLU 20 3HG GLU 20 16.608 -15.287 4.509 132 H LYS 21 H LYS 21 14.772 -14.390 1.341 133 HA LYS 21 HA LYS 21 15.403 -11.589 2.205 134 HB2 LYS 21 2HB LYS 21 13.938 -12.459 -0.293 135 HB3 LYS 21 3HB LYS 21 13.847 -10.837 0.393 136 HG2 LYS 21 2HG LYS 21 15.620 -10.346 -0.872 137 HG3 LYS 21 3HG LYS 21 16.563 -11.133 0.386 138 HD2 LYS 21 2HD LYS 21 16.200 -13.311 -1.031 139 HD3 LYS 21 3HD LYS 21 15.705 -12.216 -2.321 140 HE2 LYS 21 2HE LYS 21 18.395 -12.370 -0.891 141 HE3 LYS 21 3HE LYS 21 18.066 -12.770 -2.574 142 HZ1 LYS 21 3HZ LYS 21 17.604 -10.360 -2.962 143 HZ2 LYS 21 1HZ LYS 21 19.122 -10.634 -2.423 144 HZ3 LYS 21 2HZ LYS 21 17.995 -10.048 -1.395 145 H LYS 22 H LYS 22 14.677 -11.757 4.139 146 HA LYS 22 HA LYS 22 12.041 -12.393 5.049 147 HB2 LYS 22 2HB LYS 22 14.196 -10.531 6.150 148 HB3 LYS 22 3HB LYS 22 12.744 -10.993 7.034 149 HG2 LYS 22 2HG LYS 22 13.418 -13.343 7.058 150 HG3 LYS 22 3HG LYS 22 14.798 -13.006 6.007 151 HD2 LYS 22 2HD LYS 22 15.595 -13.268 8.243 152 HD3 LYS 22 3HD LYS 22 15.819 -11.582 7.755 153 HE2 LYS 22 2HE LYS 22 13.838 -10.911 9.059 154 HE3 LYS 22 3HE LYS 22 13.496 -12.610 9.449 155 HZ1 LYS 22 3HZ LYS 22 15.923 -11.132 10.318 156 HZ2 LYS 22 1HZ LYS 22 15.605 -12.720 10.600 157 HZ3 LYS 22 2HZ LYS 22 14.658 -11.598 11.280 158 HA PRO 23 HA PRO 23 9.877 -8.770 3.616 159 HB2 PRO 23 2HB PRO 23 7.609 -8.816 5.124 160 HB3 PRO 23 3HB PRO 23 7.988 -10.096 3.936 161 HG2 PRO 23 2HG PRO 23 8.491 -10.140 6.931 162 HG3 PRO 23 3HG PRO 23 7.685 -11.391 5.929 163 HD2 PRO 23 2HD PRO 23 10.334 -11.534 6.600 164 HD3 PRO 23 3HD PRO 23 9.731 -12.112 5.016 165 H LEU 24 H LEU 24 9.374 -6.626 4.102 166 HA LEU 24 HA LEU 24 10.765 -5.336 6.233 167 HB2 LEU 24 2HB LEU 24 9.777 -3.279 5.340 168 HB3 LEU 24 3HB LEU 24 10.647 -4.220 4.164 169 HG LEU 24 HG LEU 24 7.699 -4.753 4.217 170 HD11 LEU 24 1HD1 LEU 24 7.162 -2.699 2.951 171 HD12 LEU 24 2HD1 LEU 24 8.804 -2.080 3.248 172 HD13 LEU 24 3HD1 LEU 24 7.675 -2.327 4.601 173 HD21 LEU 24 3HD2 LEU 24 9.623 -4.033 1.966 174 HD22 LEU 24 1HD2 LEU 24 7.981 -4.680 1.788 175 HD23 LEU 24 2HD2 LEU 24 9.258 -5.691 2.477 176 H LYS 25 H LYS 25 9.662 -6.670 7.957 177 HA LYS 25 HA LYS 25 7.579 -4.918 9.232 178 HB2 LYS 25 2HB LYS 25 7.626 -7.958 9.413 179 HB3 LYS 25 3HB LYS 25 6.532 -6.872 10.276 180 HG2 LYS 25 2HG LYS 25 5.705 -6.098 7.966 181 HG3 LYS 25 3HG LYS 25 6.548 -7.515 7.322 182 HD2 LYS 25 2HD LYS 25 4.273 -7.460 9.358 183 HD3 LYS 25 3HD LYS 25 4.197 -8.070 7.698 184 HE2 LYS 25 2HE LYS 25 5.787 -9.900 8.316 185 HE3 LYS 25 3HE LYS 25 5.886 -9.244 9.945 186 HZ1 LYS 25 3HZ LYS 25 3.711 -10.800 8.772 187 HZ2 LYS 25 1HZ LYS 25 3.306 -9.658 9.935 188 HZ3 LYS 25 2HZ LYS 25 4.380 -10.804 10.257 189 HA PRO 26 HA PRO 26 11.405 -5.813 11.886 190 HB2 PRO 26 2HB PRO 26 12.356 -3.266 12.307 191 HB3 PRO 26 3HB PRO 26 12.785 -4.278 10.894 192 HG2 PRO 26 2HG PRO 26 10.668 -2.109 11.056 193 HG3 PRO 26 3HG PRO 26 11.926 -2.345 9.797 194 HD2 PRO 26 2HD PRO 26 9.380 -3.237 9.439 195 HD3 PRO 26 3HD PRO 26 10.787 -4.178 8.860 196 H CYS 27 H CYS 27 9.130 -3.086 12.328 197 HA CYS 27 HA CYS 27 8.010 -4.299 14.685 198 HB2 CYS 27 2HB CYS 27 8.399 -2.246 16.173 199 HB3 CYS 27 3HB CYS 27 9.757 -3.358 15.982 200 HG CYS 27 HG CYS 27 11.202 -2.034 14.455 201 H CYS 28 H CYS 28 8.387 -0.992 13.463 202 HA CYS 28 HA CYS 28 5.466 -0.809 12.871 203 HB2 CYS 28 2HB CYS 28 7.530 1.237 13.768 204 HB3 CYS 28 3HB CYS 28 5.930 1.686 13.148 205 HG CYS 28 HG CYS 28 6.152 1.701 15.862 206 H ALA 29 H ALA 29 5.150 -1.164 10.867 207 HA ALA 29 HA ALA 29 6.205 0.696 8.902 208 HB1 ALA 29 1HB ALA 29 6.571 -1.002 7.183 209 HB2 ALA 29 2HB ALA 29 7.708 -1.228 8.536 210 HB3 ALA 29 3HB ALA 29 6.285 -2.296 8.359 211 H CYS 30 H CYS 30 3.918 1.145 9.968 212 HA CYS 30 HA CYS 30 1.622 1.298 9.700 213 HB2 CYS 30 2HB CYS 30 2.652 1.121 6.906 214 HB3 CYS 30 3HB CYS 30 1.140 1.845 7.458 215 HA PRO 31 HA PRO 31 0.489 -3.385 8.695 216 HB2 PRO 31 2HB PRO 31 -1.030 -3.372 11.016 217 HB3 PRO 31 3HB PRO 31 0.636 -4.040 10.899 218 HG2 PRO 31 2HG PRO 31 -0.260 -1.342 11.948 219 HG3 PRO 31 3HG PRO 31 0.974 -2.449 12.633 220 HD2 PRO 31 2HD PRO 31 1.709 -0.298 11.112 221 HD3 PRO 31 3HD PRO 31 2.553 -1.864 10.944 222 H GLU 32 H GLU 32 -1.556 -0.688 10.114 223 HA GLU 32 HA GLU 32 -3.888 -1.609 8.859 224 HB2 GLU 32 2HB GLU 32 -4.156 1.158 8.543 225 HB3 GLU 32 3HB GLU 32 -4.675 0.208 9.881 226 HG2 GLU 32 2HG GLU 32 -2.451 0.730 11.036 227 HG3 GLU 32 3HG GLU 32 -2.015 1.681 9.623 228 H THR 33 H THR 33 -1.433 0.517 7.415 229 HA THR 33 HA THR 33 -3.122 0.842 5.100 230 HB THR 33 HB THR 33 -1.303 2.221 4.158 231 HG1 THR 33 1HG THR 33 0.522 2.528 5.461 232 HG21 THR 33 1HG2 THR 33 -1.247 3.975 5.764 233 HG22 THR 33 2HG2 THR 33 -1.507 2.853 7.118 234 HG23 THR 33 3HG2 THR 33 -2.810 3.186 5.955 235 H LYS 34 H LYS 34 0.060 -0.652 5.600 236 HA LYS 34 HA LYS 34 0.571 -2.095 3.230 237 HB2 LYS 34 2HB LYS 34 2.058 -1.781 5.156 238 HB3 LYS 34 3HB LYS 34 0.957 -2.655 6.205 239 HG2 LYS 34 2HG LYS 34 2.715 -3.934 4.105 240 HG3 LYS 34 3HG LYS 34 2.881 -3.732 5.854 241 HD2 LYS 34 2HD LYS 34 2.358 -5.815 5.986 242 HD3 LYS 34 3HD LYS 34 0.784 -5.063 6.156 243 HE2 LYS 34 2HE LYS 34 0.786 -7.154 4.796 244 HE3 LYS 34 3HE LYS 34 0.139 -5.771 3.936 245 HZ1 LYS 34 3HZ LYS 34 1.679 -7.114 2.615 246 HZ2 LYS 34 1HZ LYS 34 2.945 -6.668 3.554 247 HZ3 LYS 34 2HZ LYS 34 2.082 -5.574 2.635 248 H LYS 35 H LYS 35 -0.996 -3.458 6.069 249 HA LYS 35 HA LYS 35 -1.739 -5.910 4.758 250 HB2 LYS 35 2HB LYS 35 -1.517 -5.159 7.253 251 HB3 LYS 35 3HB LYS 35 -3.148 -4.770 7.223 252 HG2 LYS 35 2HG LYS 35 -3.209 -7.068 7.919 253 HG3 LYS 35 3HG LYS 35 -3.342 -7.275 6.167 254 HD2 LYS 35 2HD LYS 35 -0.680 -7.152 6.400 255 HD3 LYS 35 3HD LYS 35 -1.056 -7.914 7.942 256 HE2 LYS 35 2HE LYS 35 -2.245 -8.955 5.352 257 HE3 LYS 35 3HE LYS 35 -0.535 -9.219 5.660 258 HZ1 LYS 35 3HZ LYS 35 -1.137 -10.466 7.674 259 HZ2 LYS 35 1HZ LYS 35 -2.030 -11.061 6.425 260 HZ3 LYS 35 2HZ LYS 35 -2.688 -10.056 7.570 261 H ALA 36 H ALA 36 -3.662 -3.036 5.273 262 HA ALA 36 HA ALA 36 -5.980 -3.924 3.793 263 HB1 ALA 36 1HB ALA 36 -6.541 -1.555 3.500 264 HB2 ALA 36 2HB ALA 36 -6.040 -1.902 5.162 265 HB3 ALA 36 3HB ALA 36 -4.913 -1.078 4.048 266 H ARG 37 H ARG 37 -3.093 -2.162 2.482 267 HA ARG 37 HA ARG 37 -3.586 -2.040 -0.316 268 HB2 ARG 37 2HB ARG 37 -1.285 -1.694 1.236 269 HB3 ARG 37 3HB ARG 37 -0.896 -3.213 0.650 270 HG2 ARG 37 2HG ARG 37 -1.898 -1.642 -1.526 271 HG3 ARG 37 3HG ARG 37 -0.680 -0.767 -0.673 272 HD2 ARG 37 2HD ARG 37 0.047 -2.038 -2.759 273 HD3 ARG 37 3HD ARG 37 0.874 -2.148 -1.232 274 HE ARG 37 HE ARG 37 -0.352 -4.359 -0.936 275 HH11 ARG 37 1HH1 ARG 37 1.750 -3.179 -3.574 276 HH12 ARG 37 2HH1 ARG 37 2.494 -4.766 -3.715 277 HH21 ARG 37 1HH2 ARG 37 1.112 -6.114 -1.023 278 HH22 ARG 37 2HH2 ARG 37 2.122 -6.294 -2.452 279 H ASP 38 H ASP 38 -2.124 -4.673 1.382 280 HA ASP 38 HA ASP 38 -1.509 -6.120 -0.820 281 HB2 ASP 38 2HB ASP 38 -1.770 -6.521 2.119 282 HB3 ASP 38 3HB ASP 38 -1.829 -8.047 1.211 283 H ALA 39 H ALA 39 -4.476 -6.434 1.175 284 HA ALA 39 HA ALA 39 -5.708 -8.654 0.042 285 HB1 ALA 39 1HB ALA 39 -7.807 -7.603 0.841 286 HB2 ALA 39 2HB ALA 39 -6.512 -7.320 2.028 287 HB3 ALA 39 3HB ALA 39 -7.003 -6.026 0.907 288 H CYS 40 H CYS 40 -5.959 -5.265 -1.229 289 HA CYS 40 HA CYS 40 -7.626 -5.972 -3.464 290 HB2 CYS 40 2HB CYS 40 -6.977 -3.684 -2.359 291 HB3 CYS 40 3HB CYS 40 -5.481 -3.833 -3.186 292 H ILE 41 H ILE 41 -4.103 -5.792 -3.025 293 HA ILE 41 HA ILE 41 -3.356 -6.188 -5.770 294 HB ILE 41 HB ILE 41 -1.900 -6.239 -3.126 295 HG12 ILE 41 2HG1 ILE 41 -0.640 -4.448 -4.497 296 HG13 ILE 41 3HG1 ILE 41 -1.910 -4.459 -5.591 297 HG21 ILE 41 1HG2 ILE 41 0.242 -6.519 -4.412 298 HG22 ILE 41 2HG2 ILE 41 -0.741 -7.975 -4.292 299 HG23 ILE 41 3HG2 ILE 41 -0.733 -7.034 -5.805 300 HD11 ILE 41 3HD1 ILE 41 -3.487 -3.761 -3.821 301 HD12 ILE 41 1HD1 ILE 41 -2.131 -3.721 -2.708 302 HD13 ILE 41 2HD1 ILE 41 -2.156 -2.614 -4.091 303 H ILE 42 H ILE 42 -3.897 -8.491 -3.147 304 HA ILE 42 HA ILE 42 -3.061 -10.922 -4.373 305 HB ILE 42 HB ILE 42 -5.393 -10.219 -2.530 306 HG12 ILE 42 2HG1 ILE 42 -2.744 -11.632 -1.971 307 HG13 ILE 42 3HG1 ILE 42 -2.972 -9.924 -1.690 308 HG21 ILE 42 1HG2 ILE 42 -6.122 -12.190 -3.633 309 HG22 ILE 42 2HG2 ILE 42 -4.537 -12.985 -3.433 310 HG23 ILE 42 3HG2 ILE 42 -5.591 -12.654 -2.033 311 HD11 ILE 42 3HD1 ILE 42 -4.282 -12.258 -0.238 312 HD12 ILE 42 1HD1 ILE 42 -3.218 -10.998 0.416 313 HD13 ILE 42 2HD1 ILE 42 -4.876 -10.594 -0.085 314 H GLU 43 H GLU 43 -6.190 -9.262 -4.481 315 HA GLU 43 HA GLU 43 -7.466 -11.343 -5.896 316 HB2 GLU 43 2HB GLU 43 -7.964 -9.672 -3.942 317 HB3 GLU 43 3HB GLU 43 -8.434 -8.548 -5.176 318 HG2 GLU 43 2HG GLU 43 -9.628 -11.291 -4.590 319 HG3 GLU 43 3HG GLU 43 -10.097 -9.713 -3.954 320 H LYS 44 H LYS 44 -6.800 -7.920 -6.665 321 HA LYS 44 HA LYS 44 -7.478 -8.333 -9.566 322 HB2 LYS 44 2HB LYS 44 -7.000 -5.763 -8.002 323 HB3 LYS 44 3HB LYS 44 -7.612 -5.952 -9.650 324 HG2 LYS 44 2HG LYS 44 -9.098 -6.760 -7.128 325 HG3 LYS 44 3HG LYS 44 -9.387 -5.337 -8.146 326 HD2 LYS 44 2HD LYS 44 -9.650 -6.959 -10.114 327 HD3 LYS 44 3HD LYS 44 -9.684 -8.263 -8.903 328 HE2 LYS 44 2HE LYS 44 -11.614 -7.239 -7.805 329 HE3 LYS 44 3HE LYS 44 -11.550 -5.845 -8.915 330 HZ1 LYS 44 3HZ LYS 44 -11.916 -7.495 -10.745 331 HZ2 LYS 44 1HZ LYS 44 -13.195 -7.391 -9.695 332 HZ3 LYS 44 2HZ LYS 44 -12.160 -8.650 -9.595 333 H GLY 45 H GLY 45 -5.021 -6.691 -7.595 334 HA2 GLY 45 1HA GLY 45 -2.615 -7.403 -8.167 335 HA3 GLY 45 2HA GLY 45 -3.023 -7.003 -9.827 336 H GLU 46 H GLU 46 -0.921 -5.711 -8.679 337 HA GLU 46 HA GLU 46 -1.511 -3.195 -7.328 338 HB2 GLU 46 2HB GLU 46 0.867 -4.301 -8.902 339 HB3 GLU 46 3HB GLU 46 0.889 -2.704 -8.177 340 HG2 GLU 46 2HG GLU 46 0.693 -3.548 -5.972 341 HG3 GLU 46 3HG GLU 46 0.179 -5.128 -6.543 342 H GLU 47 H GLU 47 -1.312 -4.296 -10.636 343 HA GLU 47 HA GLU 47 -1.555 -1.875 -12.048 344 HB2 GLU 47 2HB GLU 47 -2.459 -3.324 -13.822 345 HB3 GLU 47 3HB GLU 47 -0.968 -3.917 -13.110 346 HG2 GLU 47 2HG GLU 47 -3.357 -5.008 -11.743 347 HG3 GLU 47 3HG GLU 47 -3.333 -5.336 -13.474 348 H HIS 48 H HIS 48 -3.946 -3.313 -9.975 349 HA HIS 48 HA HIS 48 -6.198 -1.714 -11.151 350 HB2 HIS 48 2HB HIS 48 -5.959 -4.468 -9.903 351 HB3 HIS 48 3HB HIS 48 -7.491 -3.635 -9.922 352 HD2 HIS 48 2HD HIS 48 -5.400 -5.860 -11.924 353 HE1 HIS 48 1HE HIS 48 -8.557 -4.653 -14.528 354 HE2 HIS 48 2HE HIS 48 -6.596 -6.271 -14.250 355 H CYS 49 H CYS 49 -4.006 -2.034 -8.651 356 HA CYS 49 HA CYS 49 -5.752 -0.919 -6.556 357 HB2 CYS 49 2HB CYS 49 -3.673 -3.114 -6.376 358 HB3 CYS 49 3HB CYS 49 -4.428 -2.417 -5.120 359 H GLY 50 H GLY 50 -3.378 0.242 -8.426 360 HA2 GLY 50 1HA GLY 50 -1.594 0.946 -6.231 361 HA3 GLY 50 2HA GLY 50 -1.309 1.460 -7.790 362 H HIS 51 H HIS 51 -4.601 2.256 -7.076 363 HA HIS 51 HA HIS 51 -4.152 4.747 -5.635 364 HB2 HIS 51 2HB HIS 51 -6.503 4.662 -5.190 365 HB3 HIS 51 3HB HIS 51 -6.225 4.190 -6.864 366 HD2 HIS 51 2HD HIS 51 -8.392 3.246 -4.138 367 HE1 HIS 51 1HE HIS 51 -7.812 -0.448 -6.180 368 HE2 HIS 51 2HE HIS 51 -9.236 0.780 -4.461 369 H LEU 52 H LEU 52 -4.885 1.402 -4.657 370 HA LEU 52 HA LEU 52 -4.428 1.858 -1.826 371 HB2 LEU 52 2HB LEU 52 -4.972 -0.478 -3.672 372 HB3 LEU 52 3HB LEU 52 -4.072 -0.989 -2.430 373 HG LEU 52 HG LEU 52 -6.857 -0.676 -2.692 374 HD11 LEU 52 1HD1 LEU 52 -7.127 -1.416 -0.401 375 HD12 LEU 52 2HD1 LEU 52 -5.493 -0.871 0.022 376 HD13 LEU 52 3HD1 LEU 52 -5.728 -2.228 -1.101 377 HD21 LEU 52 3HD2 LEU 52 -7.727 0.862 -1.108 378 HD22 LEU 52 1HD2 LEU 52 -6.689 1.762 -2.256 379 HD23 LEU 52 2HD2 LEU 52 -6.093 1.396 -0.628 380 H ILE 53 H ILE 53 -2.124 1.186 -4.403 381 HA ILE 53 HA ILE 53 0.025 1.094 -2.477 382 HB ILE 53 HB ILE 53 0.084 2.005 -5.377 383 HG12 ILE 53 2HG1 ILE 53 1.247 -0.550 -4.357 384 HG13 ILE 53 3HG1 ILE 53 -0.452 -0.547 -4.401 385 HG21 ILE 53 1HG2 ILE 53 2.531 1.556 -5.171 386 HG22 ILE 53 2HG2 ILE 53 1.987 2.925 -4.200 387 HG23 ILE 53 3HG2 ILE 53 2.314 1.349 -3.421 388 HD11 ILE 53 3HD1 ILE 53 0.849 0.377 -6.926 389 HD12 ILE 53 1HD1 ILE 53 1.302 -1.249 -6.418 390 HD13 ILE 53 2HD1 ILE 53 -0.415 -0.883 -6.697 391 H GLU 54 H GLU 54 -1.208 4.016 -4.326 392 HA GLU 54 HA GLU 54 0.831 5.692 -3.412 393 HB2 GLU 54 2HB GLU 54 -1.923 6.653 -4.157 394 HB3 GLU 54 3HB GLU 54 -0.458 7.603 -4.102 395 HG2 GLU 54 2HG GLU 54 -1.211 5.515 -6.110 396 HG3 GLU 54 3HG GLU 54 -1.114 7.233 -6.380 397 H ALA 55 H ALA 55 -2.440 5.157 -2.190 398 HA ALA 55 HA ALA 55 -2.557 7.124 -0.184 399 HB1 ALA 55 1HB ALA 55 -4.513 5.907 -1.007 400 HB2 ALA 55 2HB ALA 55 -3.852 4.339 -0.494 401 HB3 ALA 55 3HB ALA 55 -4.356 5.557 0.726 402 H HIS 56 H HIS 56 -1.380 3.819 -0.143 403 HA HIS 56 HA HIS 56 -0.586 3.838 2.685 404 HB2 HIS 56 2HB HIS 56 -0.391 1.753 0.478 405 HB3 HIS 56 3HB HIS 56 0.069 1.454 2.191 406 HD2 HIS 56 2HD HIS 56 -2.525 -0.059 0.793 407 HE1 HIS 56 1HE HIS 56 -5.056 2.487 3.042 408 HE2 HIS 56 2HE HIS 56 -4.921 0.263 1.776 409 H LYS 57 H LYS 57 0.938 4.346 -0.401 410 HA LYS 57 HA LYS 57 3.559 4.077 0.168 411 HB2 LYS 57 2HB LYS 57 2.065 4.519 -1.915 412 HB3 LYS 57 3HB LYS 57 2.374 6.127 -1.816 413 HG2 LYS 57 2HG LYS 57 4.928 5.334 -1.735 414 HG3 LYS 57 3HG LYS 57 4.200 3.721 -1.916 415 HD2 LYS 57 2HD LYS 57 5.013 4.296 -4.072 416 HD3 LYS 57 3HD LYS 57 3.247 4.539 -4.101 417 HE2 LYS 57 2HE LYS 57 3.448 6.843 -3.828 418 HE3 LYS 57 3HE LYS 57 5.244 6.777 -3.727 419 HZ1 LYS 57 3HZ LYS 57 5.065 5.815 -6.085 420 HZ2 LYS 57 1HZ LYS 57 4.641 7.382 -5.939 421 HZ3 LYS 57 2HZ LYS 57 3.459 6.248 -6.012 422 H GLU 58 H GLU 58 1.701 6.976 0.452 423 HA GLU 58 HA GLU 58 3.665 8.627 1.700 424 HB2 GLU 58 2HB GLU 58 2.241 9.897 3.007 425 HB3 GLU 58 3HB GLU 58 1.688 9.752 1.349 426 HG2 GLU 58 2HG GLU 58 -0.076 8.569 1.863 427 HG3 GLU 58 3HG GLU 58 0.525 7.809 3.319 428 H CYS 59 H CYS 59 1.792 6.156 3.269 429 HA CYS 59 HA CYS 59 2.647 6.613 5.906 430 HB2 CYS 59 2HB CYS 59 0.656 5.379 5.113 431 HB3 CYS 59 3HB CYS 59 1.580 3.949 4.750 432 H MET 60 H MET 60 3.994 4.252 3.538 433 HA MET 60 HA MET 60 6.269 3.526 5.178 434 HB2 MET 60 2HB MET 60 5.718 3.469 2.177 435 HB3 MET 60 3HB MET 60 7.296 3.082 2.843 436 HG2 MET 60 2HG MET 60 6.290 0.996 2.644 437 HG3 MET 60 3HG MET 60 6.185 1.385 4.353 438 HE1 MET 60 3HE MET 60 2.673 1.063 1.358 439 HE2 MET 60 1HE MET 60 4.034 2.164 1.080 440 HE3 MET 60 2HE MET 60 4.310 0.408 1.110 441 H ARG 61 H ARG 61 5.859 6.281 2.817 442 HA ARG 61 HA ARG 61 8.634 7.039 2.947 443 HB2 ARG 61 2HB ARG 61 8.095 8.545 1.442 444 HB3 ARG 61 3HB ARG 61 6.471 7.872 1.447 445 HG2 ARG 61 2HG ARG 61 5.829 9.698 3.101 446 HG3 ARG 61 3HG ARG 61 7.485 10.325 2.927 447 HD2 ARG 61 2HD ARG 61 7.089 10.452 0.443 448 HD3 ARG 61 3HD ARG 61 5.407 9.992 0.728 449 HE ARG 61 HE ARG 61 6.044 12.299 2.334 450 HH11 ARG 61 1HH1 ARG 61 5.462 11.479 -1.019 451 HH12 ARG 61 2HH1 ARG 61 4.820 13.063 -1.390 452 HH21 ARG 61 1HH2 ARG 61 5.303 14.381 1.727 453 HH22 ARG 61 2HH2 ARG 61 4.641 14.574 0.125 454 H ALA 62 H ALA 62 5.937 7.944 5.042 455 HA ALA 62 HA ALA 62 7.165 9.987 6.548 456 HB1 ALA 62 1HB ALA 62 5.391 9.484 8.181 457 HB2 ALA 62 2HB ALA 62 4.753 9.465 6.526 458 HB3 ALA 62 3HB ALA 62 5.072 7.937 7.376 459 H LEU 63 H LEU 63 7.897 6.625 6.579 460 HA LEU 63 HA LEU 63 9.254 6.482 9.165 461 HB2 LEU 63 2HB LEU 63 9.481 4.762 6.656 462 HB3 LEU 63 3HB LEU 63 10.010 4.321 8.229 463 HG LEU 63 HG LEU 63 7.148 4.692 7.231 464 HD11 LEU 63 1HD1 LEU 63 6.713 2.444 7.723 465 HD12 LEU 63 2HD1 LEU 63 8.400 2.210 8.271 466 HD13 LEU 63 3HD1 LEU 63 8.015 2.661 6.570 467 HD21 LEU 63 3HD2 LEU 63 7.983 3.969 10.045 468 HD22 LEU 63 1HD2 LEU 63 6.316 3.994 9.397 469 HD23 LEU 63 2HD2 LEU 63 7.213 5.506 9.554 470 H GLY 64 H GLY 64 10.124 7.966 6.196 471 HA2 GLY 64 1HA GLY 64 12.122 8.654 5.374 472 HA3 GLY 64 2HA GLY 64 13.041 7.862 6.669 473 H PHE 65 H PHE 65 10.651 5.999 4.918 474 HA PHE 65 HA PHE 65 12.695 4.347 3.598 475 HB2 PHE 65 2HB PHE 65 9.689 4.419 3.332 476 HB3 PHE 65 3HB PHE 65 10.704 3.335 2.468 477 HD1 PHE 65 2HD PHE 65 11.824 3.660 5.973 478 HD2 PHE 65 1HD PHE 65 8.994 1.757 3.319 479 HE1 PHE 65 2HE PHE 65 11.342 1.972 7.688 480 HE2 PHE 65 1HE PHE 65 8.419 0.146 5.104 481 HZ PHE 65 HZ PHE 65 9.537 0.323 7.315 482 H LYS 66 H LYS 66 12.661 3.964 1.454 483 HA LYS 66 HA LYS 66 13.583 6.033 -0.173 484 HB2 LYS 66 2HB LYS 66 14.247 4.234 -1.531 485 HB3 LYS 66 3HB LYS 66 14.632 3.982 0.190 486 HG2 LYS 66 2HG LYS 66 12.519 2.545 0.404 487 HG3 LYS 66 3HG LYS 66 12.231 2.869 -1.317 488 HD2 LYS 66 2HD LYS 66 14.590 2.030 -1.681 489 HD3 LYS 66 3HD LYS 66 14.610 1.666 0.057 490 HE2 LYS 66 2HE LYS 66 12.807 0.005 -0.239 491 HE3 LYS 66 3HE LYS 66 12.650 0.454 -1.950 492 HZ1 LYS 66 3HZ LYS 66 15.025 -0.851 -0.729 493 HZ2 LYS 66 1HZ LYS 66 14.949 -0.332 -2.272 494 HZ3 LYS 66 2HZ LYS 66 13.953 -1.540 -1.779 495 H ILE 67 H ILE 67 10.828 6.154 0.079 496 HA ILE 67 HA ILE 67 9.447 5.242 -2.267 497 HB ILE 67 HB ILE 67 8.739 6.922 0.108 498 HG12 ILE 67 2HG1 ILE 67 7.150 5.219 0.590 499 HG13 ILE 67 3HG1 ILE 67 7.322 4.465 -0.999 500 HG21 ILE 67 1HG2 ILE 67 6.334 6.959 -0.704 501 HG22 ILE 67 2HG2 ILE 67 7.455 8.058 -1.559 502 HG23 ILE 67 3HG2 ILE 67 6.974 6.515 -2.312 503 HD11 ILE 67 3HD1 ILE 67 8.423 3.195 0.858 504 HD12 ILE 67 1HD1 ILE 67 9.532 3.631 -0.448 505 HD13 ILE 67 2HD1 ILE 67 9.530 4.579 1.046 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -10.538 19.642 14.685 2 H2 GLY 1 H2 GLY 1 -10.627 18.712 16.051 3 H3 GLY 1 H3 GLY 1 -11.972 18.956 15.133 4 HA2 GLY 1 2HA GLY 1 -11.136 16.762 14.775 5 HA3 GLY 1 1HA GLY 1 -11.023 17.748 13.298 6 H SER 2 H SER 2 -9.192 16.875 12.337 7 HA SER 2 HA SER 2 -7.065 16.146 12.067 8 HB2 SER 2 2HB SER 2 -7.262 18.704 11.732 9 HB3 SER 2 3HB SER 2 -6.188 18.811 13.144 10 HG SER 2 HG SER 2 -4.868 18.567 11.349 11 H PHE 3 H PHE 3 -7.169 14.481 13.721 12 HA PHE 3 HA PHE 3 -5.880 14.952 16.283 13 HB2 PHE 3 2HB PHE 3 -7.818 13.276 15.469 14 HB3 PHE 3 3HB PHE 3 -6.468 12.183 15.273 15 HD1 PHE 3 2HD PHE 3 -4.845 11.990 17.426 16 HD2 PHE 3 1HD PHE 3 -8.897 13.467 17.516 17 HE1 PHE 3 2HE PHE 3 -4.954 11.552 19.854 18 HE2 PHE 3 1HE PHE 3 -9.016 12.991 19.945 19 HZ PHE 3 HZ PHE 3 -7.044 12.033 21.124 20 H THR 4 H THR 4 -4.769 13.414 13.237 21 HA THR 4 HA THR 4 -2.297 12.454 14.561 22 HB THR 4 HB THR 4 -3.373 10.890 13.071 23 HG1 THR 4 1HG THR 4 -1.482 10.222 12.368 24 HG21 THR 4 1HG2 THR 4 -2.710 12.850 10.818 25 HG22 THR 4 2HG2 THR 4 -4.338 12.354 11.338 26 HG23 THR 4 3HG2 THR 4 -3.242 11.166 10.610 27 H MET 5 H MET 5 -0.197 12.895 13.547 28 HA MET 5 HA MET 5 0.036 15.731 12.614 29 HB2 MET 5 2HB MET 5 1.169 14.590 15.189 30 HB3 MET 5 3HB MET 5 1.704 16.111 14.464 31 HG2 MET 5 2HG MET 5 -0.536 17.045 14.602 32 HG3 MET 5 3HG MET 5 -1.172 15.553 15.285 33 HE1 MET 5 3HE MET 5 -1.347 15.018 17.692 34 HE2 MET 5 1HE MET 5 0.332 14.465 17.513 35 HE3 MET 5 2HE MET 5 -0.130 15.472 18.905 36 HA PRO 6 HA PRO 6 3.261 12.973 10.595 37 HB2 PRO 6 2HB PRO 6 2.523 13.241 7.979 38 HB3 PRO 6 3HB PRO 6 1.712 12.097 9.085 39 HG2 PRO 6 2HG PRO 6 0.831 14.918 8.373 40 HG3 PRO 6 3HG PRO 6 -0.136 13.408 8.283 41 HD2 PRO 6 2HD PRO 6 -0.269 15.051 10.446 42 HD3 PRO 6 3HD PRO 6 -0.317 13.275 10.628 43 H GLY 7 H GLY 7 2.941 16.027 11.266 44 HA2 GLY 7 1HA GLY 7 4.602 17.451 9.331 45 HA3 GLY 7 2HA GLY 7 4.113 17.995 10.944 46 H LEU 8 H LEU 8 6.301 15.788 9.209 47 HA LEU 8 HA LEU 8 7.970 14.649 9.610 48 HB2 LEU 8 2HB LEU 8 8.699 17.152 10.794 49 HB3 LEU 8 3HB LEU 8 9.623 15.896 11.500 50 HG LEU 8 HG LEU 8 9.978 15.019 9.192 51 HD11 LEU 8 1HD1 LEU 8 8.997 17.797 8.368 52 HD12 LEU 8 2HD1 LEU 8 8.252 16.247 7.918 53 HD13 LEU 8 3HD1 LEU 8 9.839 16.658 7.290 54 HD21 LEU 8 3HD2 LEU 8 11.098 17.793 9.741 55 HD22 LEU 8 1HD2 LEU 8 11.853 16.539 8.721 56 HD23 LEU 8 2HD2 LEU 8 11.699 16.286 10.472 57 H VAL 9 H VAL 9 9.582 13.893 11.019 58 HA VAL 9 HA VAL 9 8.479 11.849 12.829 59 HB VAL 9 HB VAL 9 9.286 11.222 10.588 60 HG11 VAL 9 1HG1 VAL 9 11.584 11.520 9.844 61 HG12 VAL 9 2HG1 VAL 9 10.868 13.102 10.178 62 HG13 VAL 9 3HG1 VAL 9 11.998 12.379 11.340 63 HG21 VAL 9 3HG2 VAL 9 9.674 9.604 12.422 64 HG22 VAL 9 1HG2 VAL 9 10.835 9.459 11.090 65 HG23 VAL 9 2HG2 VAL 9 11.325 10.238 12.608 66 H ASP 10 H ASP 10 10.462 14.544 12.672 67 HA ASP 10 HA ASP 10 12.313 15.352 13.788 68 HB2 ASP 10 2HB ASP 10 10.346 16.011 15.071 69 HB3 ASP 10 3HB ASP 10 10.468 14.560 16.064 70 H SER 11 H SER 11 13.664 13.344 12.990 71 HA SER 11 HA SER 11 15.089 12.283 15.301 72 HB2 SER 11 2HB SER 11 12.995 10.788 14.876 73 HB3 SER 11 3HB SER 11 13.885 10.215 13.452 74 HG SER 11 HG SER 11 14.449 9.965 16.192 75 H ASN 12 H ASN 12 16.549 10.439 14.469 76 HA ASN 12 HA ASN 12 18.525 11.762 12.791 77 HB2 ASN 12 2HB ASN 12 18.397 9.524 14.757 78 HB3 ASN 12 3HB ASN 12 19.564 9.280 13.502 79 HD21 ASN 12 1HD2 ASN 12 18.876 12.624 14.499 80 HD22 ASN 12 2HD2 ASN 12 20.456 12.842 15.211 81 HA PRO 13 HA PRO 13 17.981 9.860 8.989 82 HB2 PRO 13 2HB PRO 13 20.521 9.717 7.962 83 HB3 PRO 13 3HB PRO 13 19.688 11.253 8.329 84 HG2 PRO 13 2HG PRO 13 21.944 9.988 9.795 85 HG3 PRO 13 3HG PRO 13 21.404 11.693 9.779 86 HD2 PRO 13 2HD PRO 13 20.801 9.567 11.678 87 HD3 PRO 13 3HD PRO 13 20.361 11.274 11.830 88 H ALA 14 H ALA 14 17.174 7.879 8.877 89 HA ALA 14 HA ALA 14 18.899 5.488 9.351 90 HB1 ALA 14 1HB ALA 14 17.365 6.088 11.198 91 HB2 ALA 14 2HB ALA 14 15.993 5.869 10.104 92 HB3 ALA 14 3HB ALA 14 17.055 4.480 10.479 93 HA PRO 15 HA PRO 15 17.197 5.638 5.088 94 HB2 PRO 15 2HB PRO 15 19.273 4.395 3.736 95 HB3 PRO 15 3HB PRO 15 19.274 6.118 4.219 96 HG2 PRO 15 2HG PRO 15 20.505 3.767 5.690 97 HG3 PRO 15 3HG PRO 15 21.270 5.340 5.280 98 HD2 PRO 15 2HD PRO 15 20.199 4.878 7.723 99 HD3 PRO 15 3HD PRO 15 20.012 6.477 6.942 100 HA PRO 16 HA PRO 16 15.915 1.279 4.481 101 HB2 PRO 16 2HB PRO 16 15.227 1.276 1.868 102 HB3 PRO 16 3HB PRO 16 14.316 2.228 3.076 103 HG2 PRO 16 2HG PRO 16 16.521 3.224 1.231 104 HG3 PRO 16 3HG PRO 16 14.895 3.935 1.487 105 HD2 PRO 16 2HD PRO 16 17.098 4.818 2.811 106 HD3 PRO 16 3HD PRO 16 15.475 4.818 3.557 107 H GLU 17 H GLU 17 18.390 1.326 5.007 108 HA GLU 17 HA GLU 17 19.933 -0.315 3.205 109 HB2 GLU 17 2HB GLU 17 19.977 2.261 2.415 110 HB3 GLU 17 3HB GLU 17 21.283 2.189 3.606 111 HG2 GLU 17 2HG GLU 17 22.367 0.390 2.466 112 HG3 GLU 17 3HG GLU 17 21.006 0.183 1.347 113 H SER 18 H SER 18 22.467 0.201 4.168 114 HA SER 18 HA SER 18 23.953 0.081 5.856 115 HB2 SER 18 2HB SER 18 22.277 1.959 6.653 116 HB3 SER 18 3HB SER 18 21.899 0.818 7.922 117 HG SER 18 HG SER 18 23.662 1.706 8.777 118 H GLN 19 H GLN 19 21.512 -2.075 5.716 119 HA GLN 19 HA GLN 19 21.911 -3.329 8.363 120 HB2 GLN 19 2HB GLN 19 20.115 -1.790 8.132 121 HB3 GLN 19 3HB GLN 19 19.528 -2.623 6.698 122 HG2 GLN 19 2HG GLN 19 18.781 -4.520 8.049 123 HG3 GLN 19 3HG GLN 19 19.508 -3.791 9.502 124 HE21 GLN 19 1HE2 GLN 19 18.222 -1.186 7.770 125 HE22 GLN 19 2HE2 GLN 19 16.665 -1.134 8.578 126 H GLU 20 H GLU 20 21.660 -5.610 8.560 127 HA GLU 20 HA GLU 20 22.670 -7.130 6.410 128 HB2 GLU 20 2HB GLU 20 22.962 -7.548 8.874 129 HB3 GLU 20 3HB GLU 20 21.304 -8.190 8.920 130 HG2 GLU 20 2HG GLU 20 21.987 -9.930 7.233 131 HG3 GLU 20 3HG GLU 20 23.619 -9.272 7.241 132 H LYS 21 H LYS 21 21.869 -8.498 4.923 133 HA LYS 21 HA LYS 21 20.362 -9.380 3.396 134 HB2 LYS 21 2HB LYS 21 20.742 -10.892 5.433 135 HB3 LYS 21 3HB LYS 21 19.096 -10.536 5.903 136 HG2 LYS 21 2HG LYS 21 18.245 -11.686 3.927 137 HG3 LYS 21 3HG LYS 21 19.854 -11.698 3.177 138 HD2 LYS 21 2HD LYS 21 20.708 -13.161 4.975 139 HD3 LYS 21 3HD LYS 21 19.109 -13.189 5.741 140 HE2 LYS 21 2HE LYS 21 18.155 -14.388 3.850 141 HE3 LYS 21 3HE LYS 21 19.630 -14.150 2.892 142 HZ1 LYS 21 3HZ LYS 21 19.598 -16.374 3.830 143 HZ2 LYS 21 1HZ LYS 21 19.473 -15.821 5.355 144 HZ3 LYS 21 2HZ LYS 21 20.835 -15.538 4.443 145 H LYS 22 H LYS 22 17.543 -9.972 4.487 146 HA LYS 22 HA LYS 22 16.264 -7.414 4.896 147 HB2 LYS 22 2HB LYS 22 15.533 -8.916 2.336 148 HB3 LYS 22 3HB LYS 22 14.444 -7.804 3.162 149 HG2 LYS 22 2HG LYS 22 16.485 -6.127 3.003 150 HG3 LYS 22 3HG LYS 22 16.945 -7.159 1.639 151 HD2 LYS 22 2HD LYS 22 14.237 -5.797 1.999 152 HD3 LYS 22 3HD LYS 22 15.565 -5.089 1.116 153 HE2 LYS 22 2HE LYS 22 14.821 -7.837 0.207 154 HE3 LYS 22 3HE LYS 22 13.545 -6.621 0.037 155 HZ1 LYS 22 3HZ LYS 22 16.235 -6.487 -1.177 156 HZ2 LYS 22 1HZ LYS 22 15.233 -5.194 -1.087 157 HZ3 LYS 22 2HZ LYS 22 14.760 -6.496 -1.946 158 HA PRO 23 HA PRO 23 14.481 -11.191 6.992 159 HB2 PRO 23 2HB PRO 23 15.038 -10.629 9.598 160 HB3 PRO 23 3HB PRO 23 16.288 -11.220 8.470 161 HG2 PRO 23 2HG PRO 23 15.697 -8.333 9.223 162 HG3 PRO 23 3HG PRO 23 17.275 -9.188 9.286 163 HD2 PRO 23 2HD PRO 23 16.567 -7.671 7.144 164 HD3 PRO 23 3HD PRO 23 17.481 -9.196 6.954 165 H LEU 24 H LEU 24 12.916 -11.280 8.956 166 HA LEU 24 HA LEU 24 10.917 -9.064 8.793 167 HB2 LEU 24 2HB LEU 24 10.511 -12.062 9.104 168 HB3 LEU 24 3HB LEU 24 9.226 -10.857 9.110 169 HG LEU 24 HG LEU 24 11.068 -11.424 6.736 170 HD11 LEU 24 1HD1 LEU 24 9.589 -13.329 7.249 171 HD12 LEU 24 2HD1 LEU 24 9.123 -12.533 5.743 172 HD13 LEU 24 3HD1 LEU 24 8.174 -12.250 7.217 173 HD21 LEU 24 3HD2 LEU 24 10.143 -9.120 6.698 174 HD22 LEU 24 1HD2 LEU 24 8.501 -9.779 6.915 175 HD23 LEU 24 2HD2 LEU 24 9.431 -10.130 5.440 176 H LYS 25 H LYS 25 10.866 -7.949 10.585 177 HA LYS 25 HA LYS 25 9.831 -9.225 12.975 178 HB2 LYS 25 2HB LYS 25 12.345 -9.311 13.391 179 HB3 LYS 25 3HB LYS 25 12.329 -7.547 13.402 180 HG2 LYS 25 2HG LYS 25 10.303 -7.951 15.141 181 HG3 LYS 25 3HG LYS 25 11.074 -9.520 15.335 182 HD2 LYS 25 2HD LYS 25 12.313 -6.772 15.780 183 HD3 LYS 25 3HD LYS 25 11.762 -7.856 17.043 184 HE2 LYS 25 2HE LYS 25 14.086 -8.382 15.130 185 HE3 LYS 25 3HE LYS 25 14.212 -7.805 16.787 186 HZ1 LYS 25 3HZ LYS 25 13.078 -9.979 17.439 187 HZ2 LYS 25 1HZ LYS 25 14.606 -10.105 16.821 188 HZ3 LYS 25 2HZ LYS 25 13.380 -10.471 15.866 189 HA PRO 26 HA PRO 26 8.216 -5.071 11.717 190 HB2 PRO 26 2HB PRO 26 5.528 -5.546 11.914 191 HB3 PRO 26 3HB PRO 26 6.515 -6.083 10.517 192 HG2 PRO 26 2HG PRO 26 5.687 -7.707 12.946 193 HG3 PRO 26 3HG PRO 26 5.554 -8.155 11.216 194 HD2 PRO 26 2HD PRO 26 7.633 -8.972 12.786 195 HD3 PRO 26 3HD PRO 26 7.866 -8.586 11.056 196 H CYS 27 H CYS 27 7.356 -3.339 12.930 197 HA CYS 27 HA CYS 27 6.216 -3.842 15.626 198 HB2 CYS 27 2HB CYS 27 8.753 -2.281 15.042 199 HB3 CYS 27 3HB CYS 27 7.715 -1.827 16.400 200 HG CYS 27 HG CYS 27 8.427 -4.995 15.919 201 H CYS 28 H CYS 28 7.099 -1.076 13.443 202 HA CYS 28 HA CYS 28 4.459 0.190 14.058 203 HB2 CYS 28 2HB CYS 28 5.872 2.301 14.047 204 HB3 CYS 28 3HB CYS 28 6.339 1.171 15.339 205 HG CYS 28 HG CYS 28 8.437 2.418 14.102 206 H ALA 29 H ALA 29 5.762 -1.177 11.482 207 HA ALA 29 HA ALA 29 6.072 0.960 9.675 208 HB1 ALA 29 1HB ALA 29 5.830 -2.012 9.145 209 HB2 ALA 29 2HB ALA 29 6.462 -0.793 8.025 210 HB3 ALA 29 3HB ALA 29 7.339 -1.131 9.539 211 H CYS 30 H CYS 30 3.578 1.599 10.400 212 HA CYS 30 HA CYS 30 1.368 1.811 9.786 213 HB2 CYS 30 2HB CYS 30 2.766 1.698 7.181 214 HB3 CYS 30 3HB CYS 30 1.124 2.247 7.407 215 HA PRO 31 HA PRO 31 0.942 -3.011 8.762 216 HB2 PRO 31 2HB PRO 31 -0.621 -3.397 10.952 217 HB3 PRO 31 3HB PRO 31 1.134 -3.631 10.975 218 HG2 PRO 31 2HG PRO 31 -0.473 -1.233 11.912 219 HG3 PRO 31 3HG PRO 31 0.913 -2.022 12.718 220 HD2 PRO 31 2HD PRO 31 1.262 0.265 11.231 221 HD3 PRO 31 3HD PRO 31 2.481 -1.064 11.220 222 H GLU 32 H GLU 32 -1.644 -0.775 9.969 223 HA GLU 32 HA GLU 32 -3.642 -2.097 8.449 224 HB2 GLU 32 2HB GLU 32 -4.512 0.411 8.030 225 HB3 GLU 32 3HB GLU 32 -4.704 -0.385 9.531 226 HG2 GLU 32 2HG GLU 32 -2.775 0.837 10.490 227 HG3 GLU 32 3HG GLU 32 -2.476 1.609 8.907 228 H THR 33 H THR 33 -1.446 0.487 7.394 229 HA THR 33 HA THR 33 -2.806 0.662 4.947 230 HB THR 33 HB THR 33 -1.061 2.181 4.189 231 HG1 THR 33 1HG THR 33 0.500 1.044 6.214 232 HG21 THR 33 1HG2 THR 33 -2.619 2.820 6.119 233 HG22 THR 33 2HG2 THR 33 -1.205 3.813 5.817 234 HG23 THR 33 3HG2 THR 33 -1.187 2.642 7.161 235 H LYS 34 H LYS 34 0.394 -0.835 5.588 236 HA LYS 34 HA LYS 34 0.996 -1.966 3.058 237 HB2 LYS 34 2HB LYS 34 2.584 -1.879 4.983 238 HB3 LYS 34 3HB LYS 34 1.424 -2.817 5.995 239 HG2 LYS 34 2HG LYS 34 3.105 -3.997 3.763 240 HG3 LYS 34 3HG LYS 34 3.346 -4.046 5.486 241 HD2 LYS 34 2HD LYS 34 1.257 -5.289 5.777 242 HD3 LYS 34 3HD LYS 34 1.177 -5.514 3.995 243 HE2 LYS 34 2HE LYS 34 3.408 -6.440 5.801 244 HE3 LYS 34 3HE LYS 34 2.001 -7.417 5.342 245 HZ1 LYS 34 3HZ LYS 34 3.966 -7.798 3.805 246 HZ2 LYS 34 1HZ LYS 34 3.921 -6.224 3.369 247 HZ3 LYS 34 2HZ LYS 34 2.657 -7.149 2.999 248 H LYS 35 H LYS 35 -0.435 -3.616 5.788 249 HA LYS 35 HA LYS 35 -1.066 -5.943 4.391 250 HB2 LYS 35 2HB LYS 35 -0.724 -5.281 6.818 251 HB3 LYS 35 3HB LYS 35 -2.321 -5.024 7.066 252 HG2 LYS 35 2HG LYS 35 -2.790 -7.463 6.624 253 HG3 LYS 35 3HG LYS 35 -1.311 -7.598 5.677 254 HD2 LYS 35 2HD LYS 35 -0.114 -7.043 7.940 255 HD3 LYS 35 3HD LYS 35 -1.600 -7.751 8.616 256 HE2 LYS 35 2HE LYS 35 -1.172 -9.679 6.928 257 HE3 LYS 35 3HE LYS 35 0.439 -8.946 6.667 258 HZ1 LYS 35 3HZ LYS 35 0.019 -10.819 8.498 259 HZ2 LYS 35 1HZ LYS 35 -0.426 -9.577 9.440 260 HZ3 LYS 35 2HZ LYS 35 1.096 -9.647 8.772 261 H ALA 36 H ALA 36 -3.115 -3.237 4.997 262 HA ALA 36 HA ALA 36 -5.409 -4.179 3.469 263 HB1 ALA 36 1HB ALA 36 -4.567 -1.286 3.893 264 HB2 ALA 36 2HB ALA 36 -6.156 -1.873 3.364 265 HB3 ALA 36 3HB ALA 36 -5.586 -2.252 4.994 266 H ARG 37 H ARG 37 -2.547 -2.245 2.332 267 HA ARG 37 HA ARG 37 -3.142 -1.985 -0.467 268 HB2 ARG 37 2HB ARG 37 -0.780 -1.505 0.953 269 HB3 ARG 37 3HB ARG 37 -0.361 -3.043 0.435 270 HG2 ARG 37 2HG ARG 37 -1.564 -1.536 -1.701 271 HG3 ARG 37 3HG ARG 37 -0.265 -0.663 -0.991 272 HD2 ARG 37 2HD ARG 37 0.070 -2.194 -3.091 273 HD3 ARG 37 3HD ARG 37 1.166 -1.972 -1.773 274 HE ARG 37 HE ARG 37 0.040 -4.239 -1.077 275 HH11 ARG 37 1HH1 ARG 37 2.227 -3.300 -3.683 276 HH12 ARG 37 2HH1 ARG 37 3.538 -4.204 -3.026 277 HH21 ARG 37 1HH2 ARG 37 1.876 -5.755 -0.639 278 HH22 ARG 37 2HH2 ARG 37 3.431 -5.270 -1.270 279 H ASP 38 H ASP 38 -1.505 -4.570 1.213 280 HA ASP 38 HA ASP 38 -0.969 -6.089 -0.985 281 HB2 ASP 38 2HB ASP 38 -1.042 -6.306 1.983 282 HB3 ASP 38 3HB ASP 38 -1.293 -7.899 1.247 283 H ALA 39 H ALA 39 -3.826 -6.228 1.202 284 HA ALA 39 HA ALA 39 -5.234 -8.428 0.246 285 HB1 ALA 39 1HB ALA 39 -7.170 -7.345 1.259 286 HB2 ALA 39 2HB ALA 39 -5.742 -6.987 2.265 287 HB3 ALA 39 3HB ALA 39 -6.395 -5.757 1.143 288 H CYS 40 H CYS 40 -5.325 -5.085 -1.144 289 HA CYS 40 HA CYS 40 -7.341 -5.767 -3.136 290 HB2 CYS 40 2HB CYS 40 -6.649 -3.517 -2.248 291 HB3 CYS 40 3HB CYS 40 -5.148 -3.688 -3.114 292 H ILE 41 H ILE 41 -3.786 -5.616 -3.122 293 HA ILE 41 HA ILE 41 -3.336 -6.257 -5.862 294 HB ILE 41 HB ILE 41 -1.605 -6.392 -3.399 295 HG12 ILE 41 2HG1 ILE 41 -0.354 -4.695 -4.985 296 HG13 ILE 41 3HG1 ILE 41 -1.779 -4.617 -5.862 297 HG21 ILE 41 1HG2 ILE 41 0.322 -6.894 -4.918 298 HG22 ILE 41 2HG2 ILE 41 -0.773 -8.247 -4.686 299 HG23 ILE 41 3HG2 ILE 41 -0.845 -7.310 -6.194 300 HD11 ILE 41 3HD1 ILE 41 -1.573 -3.899 -3.010 301 HD12 ILE 41 1HD1 ILE 41 -1.680 -2.773 -4.381 302 HD13 ILE 41 2HD1 ILE 41 -3.053 -3.804 -3.953 303 H ILE 42 H ILE 42 -3.747 -8.428 -3.090 304 HA ILE 42 HA ILE 42 -3.267 -10.954 -4.240 305 HB ILE 42 HB ILE 42 -5.252 -9.911 -2.184 306 HG12 ILE 42 2HG1 ILE 42 -2.672 -11.566 -1.995 307 HG13 ILE 42 3HG1 ILE 42 -2.749 -9.837 -1.673 308 HG21 ILE 42 1HG2 ILE 42 -6.395 -11.786 -2.997 309 HG22 ILE 42 2HG2 ILE 42 -4.923 -12.805 -2.969 310 HG23 ILE 42 3HG2 ILE 42 -5.690 -12.238 -1.462 311 HD11 ILE 42 3HD1 ILE 42 -2.687 -10.925 0.433 312 HD12 ILE 42 1HD1 ILE 42 -4.371 -10.387 0.237 313 HD13 ILE 42 2HD1 ILE 42 -3.939 -12.094 -0.018 314 H GLU 43 H GLU 43 -6.227 -9.007 -4.338 315 HA GLU 43 HA GLU 43 -7.826 -11.104 -5.453 316 HB2 GLU 43 2HB GLU 43 -8.000 -9.224 -3.585 317 HB3 GLU 43 3HB GLU 43 -8.513 -8.194 -4.877 318 HG2 GLU 43 2HG GLU 43 -9.796 -10.858 -4.145 319 HG3 GLU 43 3HG GLU 43 -10.051 -9.317 -3.331 320 H LYS 44 H LYS 44 -6.889 -7.800 -6.401 321 HA LYS 44 HA LYS 44 -7.773 -8.300 -9.224 322 HB2 LYS 44 2HB LYS 44 -7.106 -5.640 -7.953 323 HB3 LYS 44 3HB LYS 44 -7.975 -6.014 -9.454 324 HG2 LYS 44 2HG LYS 44 -9.681 -7.229 -7.898 325 HG3 LYS 44 3HG LYS 44 -8.931 -6.315 -6.585 326 HD2 LYS 44 2HD LYS 44 -9.440 -4.194 -7.632 327 HD3 LYS 44 3HD LYS 44 -9.923 -5.001 -9.136 328 HE2 LYS 44 2HE LYS 44 -11.735 -6.189 -7.793 329 HE3 LYS 44 3HE LYS 44 -11.385 -5.082 -6.473 330 HZ1 LYS 44 3HZ LYS 44 -13.205 -4.295 -7.974 331 HZ2 LYS 44 1HZ LYS 44 -12.140 -4.228 -9.236 332 HZ3 LYS 44 2HZ LYS 44 -11.959 -3.226 -7.949 333 H GLY 45 H GLY 45 -5.078 -6.576 -7.654 334 HA2 GLY 45 1HA GLY 45 -2.768 -7.461 -8.463 335 HA3 GLY 45 2HA GLY 45 -3.343 -7.009 -10.068 336 H GLU 46 H GLU 46 -1.037 -5.778 -9.213 337 HA GLU 46 HA GLU 46 -1.411 -3.453 -7.550 338 HB2 GLU 46 2HB GLU 46 0.901 -3.929 -9.487 339 HB3 GLU 46 3HB GLU 46 0.921 -3.098 -7.939 340 HG2 GLU 46 2HG GLU 46 0.293 -5.423 -6.932 341 HG3 GLU 46 3HG GLU 46 0.770 -6.090 -8.480 342 H GLU 47 H GLU 47 -1.531 -4.102 -11.027 343 HA GLU 47 HA GLU 47 -1.838 -1.439 -11.916 344 HB2 GLU 47 2HB GLU 47 -2.863 -2.492 -13.904 345 HB3 GLU 47 3HB GLU 47 -1.313 -3.159 -13.430 346 HG2 GLU 47 2HG GLU 47 -3.512 -4.636 -12.156 347 HG3 GLU 47 3HG GLU 47 -3.691 -4.564 -13.916 348 H HIS 48 H HIS 48 -4.072 -3.289 -10.039 349 HA HIS 48 HA HIS 48 -6.462 -1.719 -10.952 350 HB2 HIS 48 2HB HIS 48 -6.042 -4.369 -9.533 351 HB3 HIS 48 3HB HIS 48 -7.575 -3.586 -9.516 352 HD2 HIS 48 2HD HIS 48 -5.416 -5.749 -11.551 353 HE1 HIS 48 1HE HIS 48 -9.025 -5.322 -13.767 354 HE2 HIS 48 2HE HIS 48 -6.791 -6.585 -13.645 355 H CYS 49 H CYS 49 -4.030 -1.932 -8.639 356 HA CYS 49 HA CYS 49 -5.622 -0.861 -6.384 357 HB2 CYS 49 2HB CYS 49 -3.518 -3.029 -6.515 358 HB3 CYS 49 3HB CYS 49 -4.103 -2.465 -5.138 359 H GLY 50 H GLY 50 -3.485 0.517 -8.301 360 HA2 GLY 50 1HA GLY 50 -1.569 1.174 -6.166 361 HA3 GLY 50 2HA GLY 50 -1.299 1.648 -7.757 362 H HIS 51 H HIS 51 -4.530 2.506 -7.078 363 HA HIS 51 HA HIS 51 -4.199 4.952 -5.550 364 HB2 HIS 51 2HB HIS 51 -6.528 4.761 -5.084 365 HB3 HIS 51 3HB HIS 51 -6.278 4.309 -6.769 366 HD2 HIS 51 2HD HIS 51 -8.327 3.270 -3.970 367 HE1 HIS 51 1HE HIS 51 -7.694 -0.374 -6.065 368 HE2 HIS 51 2HE HIS 51 -9.139 0.795 -4.341 369 H LEU 52 H LEU 52 -4.744 1.530 -4.687 370 HA LEU 52 HA LEU 52 -4.252 1.950 -1.857 371 HB2 LEU 52 2HB LEU 52 -4.872 -0.362 -3.681 372 HB3 LEU 52 3HB LEU 52 -3.867 -0.885 -2.551 373 HG LEU 52 HG LEU 52 -6.664 -0.607 -2.523 374 HD11 LEU 52 1HD1 LEU 52 -6.630 -1.263 -0.140 375 HD12 LEU 52 2HD1 LEU 52 -4.919 -0.775 -0.035 376 HD13 LEU 52 3HD1 LEU 52 -5.394 -2.133 -1.061 377 HD21 LEU 52 3HD2 LEU 52 -5.749 1.492 -0.542 378 HD22 LEU 52 1HD2 LEU 52 -7.416 0.938 -0.880 379 HD23 LEU 52 2HD2 LEU 52 -6.478 1.843 -2.108 380 H ILE 53 H ILE 53 -2.023 1.535 -4.459 381 HA ILE 53 HA ILE 53 0.147 1.000 -2.561 382 HB ILE 53 HB ILE 53 0.242 2.000 -5.434 383 HG12 ILE 53 2HG1 ILE 53 1.377 -0.589 -4.574 384 HG13 ILE 53 3HG1 ILE 53 -0.325 -0.535 -4.291 385 HG21 ILE 53 1HG2 ILE 53 2.204 2.773 -4.224 386 HG22 ILE 53 2HG2 ILE 53 2.443 1.166 -3.490 387 HG23 ILE 53 3HG2 ILE 53 2.669 1.402 -5.240 388 HD11 ILE 53 3HD1 ILE 53 -0.669 -0.735 -6.644 389 HD12 ILE 53 1HD1 ILE 53 0.802 0.207 -7.028 390 HD13 ILE 53 2HD1 ILE 53 0.913 -1.475 -6.500 391 H GLU 54 H GLU 54 -0.911 3.974 -4.295 392 HA GLU 54 HA GLU 54 1.042 5.710 -3.213 393 HB2 GLU 54 2HB GLU 54 -1.659 6.291 -4.399 394 HB3 GLU 54 3HB GLU 54 -0.498 7.520 -3.947 395 HG2 GLU 54 2HG GLU 54 -0.042 5.360 -6.066 396 HG3 GLU 54 3HG GLU 54 -0.438 7.046 -6.377 397 H ALA 55 H ALA 55 -2.350 5.110 -2.248 398 HA ALA 55 HA ALA 55 -2.423 7.087 -0.241 399 HB1 ALA 55 1HB ALA 55 -4.435 6.025 -1.202 400 HB2 ALA 55 2HB ALA 55 -3.967 4.441 -0.532 401 HB3 ALA 55 3HB ALA 55 -4.428 5.777 0.556 402 H HIS 56 H HIS 56 -1.229 3.757 -0.160 403 HA HIS 56 HA HIS 56 -0.645 3.824 2.725 404 HB2 HIS 56 2HB HIS 56 -0.280 1.667 0.613 405 HB3 HIS 56 3HB HIS 56 0.059 1.511 2.314 406 HD2 HIS 56 2HD HIS 56 -2.418 -0.029 0.601 407 HE1 HIS 56 1HE HIS 56 -5.013 2.269 3.076 408 HE2 HIS 56 2HE HIS 56 -4.870 0.244 1.521 409 H LYS 57 H LYS 57 0.969 4.190 -0.329 410 HA LYS 57 HA LYS 57 3.618 3.998 0.358 411 HB2 LYS 57 2HB LYS 57 2.083 4.430 -1.827 412 HB3 LYS 57 3HB LYS 57 2.643 5.971 -1.762 413 HG2 LYS 57 2HG LYS 57 5.041 4.722 -1.708 414 HG3 LYS 57 3HG LYS 57 4.007 3.300 -2.045 415 HD2 LYS 57 2HD LYS 57 3.032 4.769 -3.943 416 HD3 LYS 57 3HD LYS 57 4.458 5.783 -3.777 417 HE2 LYS 57 2HE LYS 57 5.903 3.961 -4.462 418 HE3 LYS 57 3HE LYS 57 4.610 2.781 -4.249 419 HZ1 LYS 57 3HZ LYS 57 4.277 3.100 -6.471 420 HZ2 LYS 57 1HZ LYS 57 5.152 4.480 -6.494 421 HZ3 LYS 57 2HZ LYS 57 3.579 4.557 -6.055 422 H GLU 58 H GLU 58 1.507 6.852 0.424 423 HA GLU 58 HA GLU 58 3.404 8.656 1.445 424 HB2 GLU 58 2HB GLU 58 1.734 9.948 2.593 425 HB3 GLU 58 3HB GLU 58 1.483 9.667 0.874 426 HG2 GLU 58 2HG GLU 58 -0.388 8.812 1.205 427 HG3 GLU 58 3HG GLU 58 0.168 7.533 2.236 428 H CYS 59 H CYS 59 1.314 6.503 3.262 429 HA CYS 59 HA CYS 59 2.172 7.072 5.855 430 HB2 CYS 59 2HB CYS 59 0.224 5.710 5.152 431 HB3 CYS 59 3HB CYS 59 1.210 4.294 4.852 432 H MET 60 H MET 60 3.450 4.526 3.706 433 HA MET 60 HA MET 60 5.674 3.741 5.352 434 HB2 MET 60 2HB MET 60 5.186 3.651 2.329 435 HB3 MET 60 3HB MET 60 6.559 2.890 3.126 436 HG2 MET 60 2HG MET 60 4.990 1.523 4.504 437 HG3 MET 60 3HG MET 60 3.630 2.288 3.685 438 HE1 MET 60 3HE MET 60 2.356 0.963 1.991 439 HE2 MET 60 1HE MET 60 2.868 -0.707 1.668 440 HE3 MET 60 2HE MET 60 2.731 -0.123 3.343 441 H ARG 61 H ARG 61 5.592 6.259 2.678 442 HA ARG 61 HA ARG 61 8.404 6.780 2.852 443 HB2 ARG 61 2HB ARG 61 8.126 8.360 1.322 444 HB3 ARG 61 3HB ARG 61 6.541 7.599 1.133 445 HG2 ARG 61 2HG ARG 61 5.585 9.375 2.592 446 HG3 ARG 61 3HG ARG 61 7.195 10.093 2.707 447 HD2 ARG 61 2HD ARG 61 5.855 9.592 0.014 448 HD3 ARG 61 3HD ARG 61 5.427 11.015 0.960 449 HE ARG 61 HE ARG 61 7.861 10.609 -0.569 450 HH11 ARG 61 1HH1 ARG 61 6.571 12.442 2.120 451 HH12 ARG 61 2HH1 ARG 61 7.737 13.738 1.912 452 HH21 ARG 61 1HH2 ARG 61 9.214 12.241 -0.837 453 HH22 ARG 61 2HH2 ARG 61 9.249 13.600 0.293 454 H ALA 62 H ALA 62 5.772 8.146 4.749 455 HA ALA 62 HA ALA 62 7.267 10.055 6.220 456 HB1 ALA 62 1HB ALA 62 5.418 9.942 7.826 457 HB2 ALA 62 2HB ALA 62 4.795 9.896 6.161 458 HB3 ALA 62 3HB ALA 62 4.874 8.406 7.126 459 H LEU 63 H LEU 63 7.415 6.587 6.455 460 HA LEU 63 HA LEU 63 8.697 6.455 9.091 461 HB2 LEU 63 2HB LEU 63 8.645 4.470 6.780 462 HB3 LEU 63 3HB LEU 63 9.147 4.148 8.373 463 HG LEU 63 HG LEU 63 6.332 4.780 7.368 464 HD11 LEU 63 1HD1 LEU 63 6.879 2.543 6.984 465 HD12 LEU 63 2HD1 LEU 63 5.660 2.648 8.248 466 HD13 LEU 63 3HD1 LEU 63 7.370 2.324 8.692 467 HD21 LEU 63 3HD2 LEU 63 7.196 4.307 10.228 468 HD22 LEU 63 1HD2 LEU 63 5.501 4.417 9.644 469 HD23 LEU 63 2HD2 LEU 63 6.548 5.836 9.562 470 H GLY 64 H GLY 64 9.849 7.664 6.174 471 HA2 GLY 64 1HA GLY 64 11.934 8.027 5.408 472 HA3 GLY 64 2HA GLY 64 12.694 7.168 6.761 473 H PHE 65 H PHE 65 10.227 5.552 4.882 474 HA PHE 65 HA PHE 65 12.106 3.580 3.772 475 HB2 PHE 65 2HB PHE 65 9.148 4.082 3.456 476 HB3 PHE 65 3HB PHE 65 9.959 2.800 2.671 477 HD1 PHE 65 1HD PHE 65 11.023 3.383 6.230 478 HD2 PHE 65 2HD PHE 65 8.140 1.463 3.642 479 HE1 PHE 65 1HE PHE 65 10.355 1.923 8.054 480 HE2 PHE 65 2HE PHE 65 7.373 0.098 5.538 481 HZ PHE 65 HZ PHE 65 8.478 0.346 7.759 482 H LYS 66 H LYS 66 11.793 2.939 1.585 483 HA LYS 66 HA LYS 66 13.314 4.592 0.015 484 HB2 LYS 66 2HB LYS 66 13.423 2.742 -1.501 485 HB3 LYS 66 3HB LYS 66 13.703 2.359 0.205 486 HG2 LYS 66 2HG LYS 66 11.220 1.718 0.388 487 HG3 LYS 66 3HG LYS 66 11.088 2.061 -1.326 488 HD2 LYS 66 2HD LYS 66 13.156 0.368 -0.001 489 HD3 LYS 66 3HD LYS 66 11.559 -0.335 -0.375 490 HE2 LYS 66 2HE LYS 66 12.108 0.494 -2.865 491 HE3 LYS 66 3HE LYS 66 13.786 0.442 -2.320 492 HZ1 LYS 66 3HZ LYS 66 13.201 -1.645 -3.373 493 HZ2 LYS 66 1HZ LYS 66 11.877 -1.831 -2.497 494 HZ3 LYS 66 2HZ LYS 66 13.379 -1.964 -1.789 495 H ILE 67 H ILE 67 10.558 5.448 0.175 496 HA ILE 67 HA ILE 67 9.239 4.841 -2.335 497 HB ILE 67 HB ILE 67 8.405 6.553 -0.008 498 HG12 ILE 67 2HG1 ILE 67 6.574 4.889 0.183 499 HG13 ILE 67 3HG1 ILE 67 7.197 4.018 -1.225 500 HG21 ILE 67 1HG2 ILE 67 6.131 6.780 -1.056 501 HG22 ILE 67 2HG2 ILE 67 7.365 7.660 -1.939 502 HG23 ILE 67 3HG2 ILE 67 6.810 6.100 -2.569 503 HD11 ILE 67 3HD1 ILE 67 9.121 3.276 0.011 504 HD12 ILE 67 1HD1 ILE 67 8.750 4.422 1.331 505 HD13 ILE 67 2HD1 ILE 67 7.699 3.012 1.030
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