NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561207 | 2lrw | 18399 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.079 1.003 -1.640 3 HB2 MET 1 2HB MET 1 3.831 -0.049 0.001 4 HB3 MET 1 3HB MET 1 3.609 -1.487 -0.985 5 HG2 MET 1 2HG MET 1 4.549 -0.526 -2.847 6 HG3 MET 1 3HG MET 1 4.190 1.114 -2.312 7 HE1 MET 1 3HE MET 1 5.806 -1.426 0.267 8 HE2 MET 1 1HE MET 1 6.143 -2.091 -1.332 9 HE3 MET 1 2HE MET 1 7.461 -1.466 -0.341 10 H LEU 2 H LEU 2 1.904 -2.524 -1.122 11 HA LEU 2 HA LEU 2 0.725 -2.767 -3.805 12 HB2 LEU 2 2HB LEU 2 2.746 -3.991 -3.668 13 HB3 LEU 2 3HB LEU 2 2.303 -4.682 -2.108 14 HG LEU 2 HG LEU 2 0.399 -5.413 -4.160 15 HD11 LEU 2 1HD1 LEU 2 2.248 -7.061 -5.112 16 HD12 LEU 2 2HD1 LEU 2 3.288 -5.680 -4.767 17 HD13 LEU 2 3HD1 LEU 2 1.910 -5.497 -5.853 18 HD21 LEU 2 3HD2 LEU 2 2.171 -7.402 -2.886 19 HD22 LEU 2 1HD2 LEU 2 0.414 -7.377 -3.043 20 HD23 LEU 2 2HD2 LEU 2 1.202 -6.405 -1.800 21 H LEU 3 H LEU 3 -1.350 -3.279 -3.960 22 HA LEU 3 HA LEU 3 -2.592 -4.910 -1.868 23 HB2 LEU 3 2HB LEU 3 -4.313 -3.455 -1.427 24 HB3 LEU 3 3HB LEU 3 -2.952 -2.352 -1.620 25 HG LEU 3 HG LEU 3 -4.953 -2.949 -3.795 26 HD11 LEU 3 1HD1 LEU 3 -4.990 -0.318 -2.502 27 HD12 LEU 3 2HD1 LEU 3 -5.560 -1.646 -1.492 28 HD13 LEU 3 3HD1 LEU 3 -6.321 -1.336 -3.053 29 HD21 LEU 3 3HD2 LEU 3 -3.719 -0.431 -4.066 30 HD22 LEU 3 1HD2 LEU 3 -3.527 -1.853 -5.092 31 HD23 LEU 3 2HD2 LEU 3 -2.436 -1.595 -3.730 32 H LYS 4 H LYS 4 -4.376 -6.130 -2.544 33 HA LYS 4 HA LYS 4 -4.661 -6.323 -5.468 34 HB2 LYS 4 2HB LYS 4 -3.770 -8.360 -4.617 35 HB3 LYS 4 3HB LYS 4 -4.926 -8.393 -3.291 36 HG2 LYS 4 2HG LYS 4 -6.739 -8.801 -4.860 37 HG3 LYS 4 3HG LYS 4 -5.602 -8.726 -6.208 38 HD2 LYS 4 2HD LYS 4 -5.079 -10.870 -5.937 39 HD3 LYS 4 3HD LYS 4 -4.650 -10.588 -4.248 40 HE2 LYS 4 2HE LYS 4 -6.851 -11.023 -3.516 41 HE3 LYS 4 3HE LYS 4 -7.499 -10.917 -5.152 42 HZ1 LYS 4 3HZ LYS 4 -7.409 -13.170 -4.826 43 HZ2 LYS 4 1HZ LYS 4 -6.004 -13.107 -3.885 44 HZ3 LYS 4 2HZ LYS 4 -5.908 -12.909 -5.562 45 H VAL 5 H VAL 5 -6.448 -5.340 -6.147 46 HA VAL 5 HA VAL 5 -8.839 -5.371 -4.446 47 HB VAL 5 HB VAL 5 -9.705 -3.606 -5.935 48 HG11 VAL 5 1HG1 VAL 5 -8.008 -1.851 -5.310 49 HG12 VAL 5 2HG1 VAL 5 -8.588 -2.856 -3.980 50 HG13 VAL 5 3HG1 VAL 5 -7.001 -3.159 -4.689 51 HG21 VAL 5 3HG2 VAL 5 -7.463 -4.448 -7.560 52 HG22 VAL 5 1HG2 VAL 5 -8.871 -3.480 -7.997 53 HG23 VAL 5 2HG2 VAL 5 -7.453 -2.705 -7.290 54 H LYS 6 H LYS 6 -10.516 -6.624 -4.924 55 HA LYS 6 HA LYS 6 -10.779 -7.640 -7.676 56 HB2 LYS 6 2HB LYS 6 -11.648 -9.764 -6.683 57 HB3 LYS 6 3HB LYS 6 -9.946 -9.464 -6.360 58 HG2 LYS 6 2HG LYS 6 -11.205 -8.314 -4.200 59 HG3 LYS 6 3HG LYS 6 -12.171 -9.757 -4.518 60 HD2 LYS 6 2HD LYS 6 -9.666 -10.760 -4.755 61 HD3 LYS 6 3HD LYS 6 -9.405 -9.503 -3.544 62 HE2 LYS 6 2HE LYS 6 -11.693 -10.658 -2.637 63 HE3 LYS 6 3HE LYS 6 -10.871 -12.041 -3.357 64 HZ1 LYS 6 3HZ LYS 6 -8.986 -10.606 -1.888 65 HZ2 LYS 6 1HZ LYS 6 -9.600 -12.150 -1.567 66 HZ3 LYS 6 2HZ LYS 6 -10.349 -10.787 -0.902 67 H THR 7 H THR 7 -12.645 -7.096 -8.576 68 HA THR 7 HA THR 7 -14.793 -6.037 -6.941 69 HB THR 7 HB THR 7 -15.803 -5.276 -8.957 70 HG1 THR 7 HG1 THR 7 -15.100 -6.005 -10.995 71 HG21 THR 7 3HG2 THR 7 -13.822 -4.011 -8.288 72 HG22 THR 7 1HG2 THR 7 -13.991 -4.026 -10.043 73 HG23 THR 7 2HG2 THR 7 -12.804 -5.071 -9.262 74 H VAL 8 H VAL 8 -17.088 -6.661 -7.617 75 HA VAL 8 HA VAL 8 -17.480 -9.401 -7.044 76 HB VAL 8 HB VAL 8 -19.101 -7.593 -6.474 77 HG11 VAL 8 1HG1 VAL 8 -20.401 -7.724 -9.103 78 HG12 VAL 8 2HG1 VAL 8 -20.189 -6.358 -8.005 79 HG13 VAL 8 3HG1 VAL 8 -18.873 -6.845 -9.075 80 HG21 VAL 8 3HG2 VAL 8 -20.535 -9.618 -8.143 81 HG22 VAL 8 1HG2 VAL 8 -19.600 -10.130 -6.738 82 HG23 VAL 8 2HG2 VAL 8 -20.938 -8.997 -6.542 83 H SER 9 H SER 9 -16.745 -7.824 -9.931 84 HA SER 9 HA SER 9 -18.102 -9.733 -11.651 85 HB2 SER 9 2HB SER 9 -16.656 -7.175 -12.027 86 HB3 SER 9 3HB SER 9 -16.530 -8.334 -13.350 87 HG SER 9 HG SER 9 -18.759 -8.347 -13.518 88 H ASN 10 H ASN 10 -15.680 -10.202 -9.731 89 HA ASN 10 HA ASN 10 -13.955 -11.686 -9.654 90 HB2 ASN 10 2HB ASN 10 -15.662 -12.731 -11.567 91 HB3 ASN 10 3HB ASN 10 -14.110 -12.678 -12.398 92 HD21 ASN 10 1HD2 ASN 10 -12.266 -13.632 -11.219 93 HD22 ASN 10 2HD2 ASN 10 -12.556 -15.047 -10.270 94 H LYS 11 H LYS 11 -13.546 -8.987 -10.518 95 HA LYS 11 HA LYS 11 -11.333 -9.274 -12.434 96 HB2 LYS 11 2HB LYS 11 -12.981 -6.892 -11.596 97 HB3 LYS 11 3HB LYS 11 -11.491 -6.731 -12.515 98 HG2 LYS 11 2HG LYS 11 -12.518 -8.253 -14.236 99 HG3 LYS 11 3HG LYS 11 -14.039 -8.084 -13.356 100 HD2 LYS 11 2HD LYS 11 -14.097 -5.734 -13.754 101 HD3 LYS 11 3HD LYS 11 -12.448 -5.741 -14.385 102 HE2 LYS 11 2HE LYS 11 -13.199 -7.146 -16.262 103 HE3 LYS 11 3HE LYS 11 -14.847 -7.074 -15.640 104 HZ1 LYS 11 3HZ LYS 11 -14.968 -5.350 -17.064 105 HZ2 LYS 11 1HZ LYS 11 -13.303 -5.049 -17.043 106 HZ3 LYS 11 2HZ LYS 11 -14.280 -4.489 -15.780 107 H VAL 12 H VAL 12 -9.760 -10.026 -11.006 108 HA VAL 12 HA VAL 12 -9.100 -8.389 -8.681 109 HB VAL 12 HB VAL 12 -7.797 -10.947 -9.621 110 HG11 VAL 12 1HG1 VAL 12 -6.996 -11.044 -7.267 111 HG12 VAL 12 2HG1 VAL 12 -6.331 -9.697 -8.191 112 HG13 VAL 12 3HG1 VAL 12 -7.629 -9.415 -7.030 113 HG21 VAL 12 3HG2 VAL 12 -9.270 -11.393 -7.277 114 HG22 VAL 12 1HG2 VAL 12 -10.335 -10.494 -8.357 115 HG23 VAL 12 2HG2 VAL 12 -9.610 -12.009 -8.894 116 H ILE 13 H ILE 13 -7.374 -7.073 -8.550 117 HA ILE 13 HA ILE 13 -5.381 -7.151 -10.709 118 HB ILE 13 HB ILE 13 -6.524 -4.583 -9.615 119 HG12 ILE 13 2HG1 ILE 13 -8.218 -5.842 -10.914 120 HG13 ILE 13 3HG1 ILE 13 -7.732 -4.352 -11.715 121 HG21 ILE 13 1HG2 ILE 13 -5.349 -3.572 -11.520 122 HG22 ILE 13 2HG2 ILE 13 -4.244 -4.403 -10.426 123 HG23 ILE 13 3HG2 ILE 13 -4.706 -5.157 -11.951 124 HD11 ILE 13 3HD1 ILE 13 -6.650 -5.455 -13.404 125 HD12 ILE 13 1HD1 ILE 13 -6.362 -6.895 -12.428 126 HD13 ILE 13 2HD1 ILE 13 -7.975 -6.566 -13.061 127 H GLN 14 H GLN 14 -3.421 -7.389 -9.883 128 HA GLN 14 HA GLN 14 -2.925 -6.503 -7.127 129 HB2 GLN 14 2HB GLN 14 -0.955 -8.034 -7.238 130 HB3 GLN 14 3HB GLN 14 -2.504 -8.846 -7.423 131 HG2 GLN 14 2HG GLN 14 -1.624 -8.142 -10.007 132 HG3 GLN 14 3HG GLN 14 -0.252 -8.856 -9.162 133 HE21 GLN 14 1HE2 GLN 14 -0.127 -10.989 -9.093 134 HE22 GLN 14 2HE2 GLN 14 -1.407 -12.088 -9.463 135 H ILE 15 H ILE 15 -1.949 -4.605 -6.948 136 HA ILE 15 HA ILE 15 0.056 -3.859 -8.976 137 HB ILE 15 HB ILE 15 -0.497 -1.583 -8.740 138 HG12 ILE 15 2HG1 ILE 15 -2.100 -2.421 -6.318 139 HG13 ILE 15 3HG1 ILE 15 -0.669 -1.396 -6.350 140 HG21 ILE 15 1HG2 ILE 15 -2.601 -1.526 -9.651 141 HG22 ILE 15 2HG2 ILE 15 -2.214 -3.236 -9.836 142 HG23 ILE 15 3HG2 ILE 15 -3.247 -2.705 -8.509 143 HD11 ILE 15 3HD1 ILE 15 -2.279 0.188 -6.136 144 HD12 ILE 15 1HD1 ILE 15 -2.206 0.089 -7.895 145 HD13 ILE 15 2HD1 ILE 15 -3.482 -0.754 -7.017 146 H THR 16 H THR 16 1.903 -2.680 -8.256 147 HA THR 16 HA THR 16 2.488 -3.010 -5.385 148 HB THR 16 HB THR 16 3.761 -4.662 -6.625 149 HG1 THR 16 HG1 THR 16 5.475 -2.501 -5.902 150 HG21 THR 16 3HG2 THR 16 4.553 -4.285 -8.672 151 HG22 THR 16 1HG2 THR 16 5.564 -2.970 -8.073 152 HG23 THR 16 2HG2 THR 16 3.910 -2.645 -8.591 153 H SER 17 H SER 17 1.417 -0.676 -6.035 154 HA SER 17 HA SER 17 3.409 1.208 -5.360 155 HB2 SER 17 2HB SER 17 4.217 1.368 -7.518 156 HB3 SER 17 3HB SER 17 2.659 0.974 -8.244 157 HG SER 17 HG SER 17 3.531 3.428 -7.154 158 H LEU 18 H LEU 18 1.887 1.690 -3.769 159 HA LEU 18 HA LEU 18 -0.629 2.900 -4.684 160 HB2 LEU 18 2HB LEU 18 0.188 1.394 -2.294 161 HB3 LEU 18 3HB LEU 18 -0.865 2.773 -1.985 162 HG LEU 18 HG LEU 18 -1.487 0.442 -3.799 163 HD11 LEU 18 1HD1 LEU 18 -3.368 0.604 -1.771 164 HD12 LEU 18 2HD1 LEU 18 -1.827 0.879 -0.959 165 HD13 LEU 18 3HD1 LEU 18 -2.070 -0.583 -1.915 166 HD21 LEU 18 3HD2 LEU 18 -3.831 1.591 -3.519 167 HD22 LEU 18 1HD2 LEU 18 -2.699 2.135 -4.758 168 HD23 LEU 18 2HD2 LEU 18 -2.851 3.033 -3.247 169 H THR 19 H THR 19 -1.322 4.900 -3.790 170 HA THR 19 HA THR 19 0.854 6.753 -3.374 171 HB THR 19 HB THR 19 -1.903 7.742 -3.025 172 HG1 THR 19 HG1 THR 19 -1.107 6.246 -5.254 173 HG21 THR 19 3HG2 THR 19 -0.691 9.061 -5.123 174 HG22 THR 19 1HG2 THR 19 0.666 8.617 -4.088 175 HG23 THR 19 2HG2 THR 19 -0.669 9.567 -3.434 176 H ASP 20 H ASP 20 0.284 8.579 -1.675 177 HA ASP 20 HA ASP 20 -0.416 7.257 0.864 178 HB2 ASP 20 2HB ASP 20 1.396 8.207 1.971 179 HB3 ASP 20 3HB ASP 20 2.089 7.810 0.400 180 H ASP 21 H ASP 21 -1.378 9.494 -1.285 181 HA ASP 21 HA ASP 21 -2.240 11.484 0.678 182 HB2 ASP 21 2HB ASP 21 -1.593 11.545 -2.127 183 HB3 ASP 21 3HB ASP 21 -3.225 12.160 -1.876 184 H ASN 22 H ASN 22 -3.633 9.415 -1.862 185 HA ASN 22 HA ASN 22 -6.217 9.594 -0.457 186 HB2 ASN 22 2HB ASN 22 -5.567 9.404 -3.389 187 HB3 ASN 22 3HB ASN 22 -7.141 8.905 -2.776 188 HD21 ASN 22 1HD2 ASN 22 -5.792 11.294 -4.331 189 HD22 ASN 22 2HD2 ASN 22 -6.641 12.655 -3.690 190 H THR 23 H THR 23 -4.079 7.474 -2.323 191 HA THR 23 HA THR 23 -3.783 5.217 -2.323 192 HB THR 23 HB THR 23 -5.108 5.450 0.383 193 HG1 THR 23 HG1 THR 23 -2.386 4.883 -0.089 194 HG21 THR 23 3HG2 THR 23 -5.405 3.209 0.016 195 HG22 THR 23 1HG2 THR 23 -3.749 3.189 0.620 196 HG23 THR 23 2HG2 THR 23 -4.057 3.103 -1.115 197 H ILE 24 H ILE 24 -6.778 5.125 -0.449 198 HA ILE 24 HA ILE 24 -7.948 3.246 -2.266 199 HB ILE 24 HB ILE 24 -9.343 4.711 -0.029 200 HG12 ILE 24 2HG1 ILE 24 -8.733 2.261 0.992 201 HG13 ILE 24 3HG1 ILE 24 -7.303 2.580 0.016 202 HG21 ILE 24 1HG2 ILE 24 -9.997 2.431 -1.788 203 HG22 ILE 24 2HG2 ILE 24 -10.443 2.270 -0.090 204 HG23 ILE 24 3HG2 ILE 24 -11.053 3.626 -1.037 205 HD11 ILE 24 3HD1 ILE 24 -7.741 3.429 2.589 206 HD12 ILE 24 1HD1 ILE 24 -6.523 4.056 1.479 207 HD13 ILE 24 2HD1 ILE 24 -8.085 4.864 1.623 208 H ALA 25 H ALA 25 -8.609 6.628 -1.406 209 HA ALA 25 HA ALA 25 -10.843 7.020 -3.033 210 HB1 ALA 25 1HB ALA 25 -9.390 8.569 -1.300 211 HB2 ALA 25 2HB ALA 25 -9.094 9.348 -2.855 212 HB3 ALA 25 3HB ALA 25 -10.747 9.122 -2.282 213 H GLU 26 H GLU 26 -7.398 7.247 -3.766 214 HA GLU 26 HA GLU 26 -7.712 8.330 -6.370 215 HB2 GLU 26 2HB GLU 26 -5.600 8.521 -5.181 216 HB3 GLU 26 3HB GLU 26 -5.430 6.772 -5.146 217 HG2 GLU 26 2HG GLU 26 -4.322 6.866 -7.051 218 HG3 GLU 26 3HG GLU 26 -5.769 7.487 -7.843 219 H LEU 27 H LEU 27 -7.439 5.041 -5.116 220 HA LEU 27 HA LEU 27 -7.272 3.746 -7.625 221 HB2 LEU 27 2HB LEU 27 -7.366 3.009 -4.877 222 HB3 LEU 27 3HB LEU 27 -8.564 2.054 -5.749 223 HG LEU 27 HG LEU 27 -6.427 0.882 -5.556 224 HD11 LEU 27 1HD1 LEU 27 -6.556 -0.019 -7.625 225 HD12 LEU 27 2HD1 LEU 27 -6.499 1.547 -8.434 226 HD13 LEU 27 3HD1 LEU 27 -8.005 0.984 -7.711 227 HD21 LEU 27 3HD2 LEU 27 -5.101 3.076 -5.609 228 HD22 LEU 27 1HD2 LEU 27 -5.210 2.943 -7.364 229 HD23 LEU 27 2HD2 LEU 27 -4.412 1.676 -6.432 230 H LYS 28 H LYS 28 -10.015 4.324 -5.434 231 HA LYS 28 HA LYS 28 -11.963 3.127 -7.089 232 HB2 LYS 28 2HB LYS 28 -13.598 4.230 -5.665 233 HB3 LYS 28 3HB LYS 28 -12.302 3.556 -4.686 234 HG2 LYS 28 2HG LYS 28 -11.276 5.804 -4.571 235 HG3 LYS 28 3HG LYS 28 -12.665 6.445 -5.451 236 HD2 LYS 28 2HD LYS 28 -12.832 4.984 -2.817 237 HD3 LYS 28 3HD LYS 28 -12.822 6.741 -2.989 238 HE2 LYS 28 2HE LYS 28 -14.879 4.825 -4.081 239 HE3 LYS 28 3HE LYS 28 -15.095 5.959 -2.749 240 HZ1 LYS 28 3HZ LYS 28 -14.623 7.763 -4.384 241 HZ2 LYS 28 1HZ LYS 28 -16.061 6.919 -4.670 242 HZ3 LYS 28 2HZ LYS 28 -14.694 6.605 -5.615 243 H GLY 29 H GLY 29 -10.772 6.443 -6.809 244 HA2 GLY 29 2HA GLY 29 -12.685 7.613 -8.546 245 HA3 GLY 29 3HA GLY 29 -11.131 8.307 -8.105 246 H LYS 30 H LYS 30 -9.582 6.064 -9.105 247 HA LYS 30 HA LYS 30 -9.320 6.920 -11.810 248 HB2 LYS 30 2HB LYS 30 -7.980 4.859 -10.099 249 HB3 LYS 30 3HB LYS 30 -7.711 4.851 -11.837 250 HG2 LYS 30 2HG LYS 30 -7.389 7.454 -10.494 251 HG3 LYS 30 3HG LYS 30 -6.194 6.216 -10.098 252 HD2 LYS 30 2HD LYS 30 -5.702 5.917 -12.467 253 HD3 LYS 30 3HD LYS 30 -6.928 7.116 -12.885 254 HE2 LYS 30 2HE LYS 30 -4.941 8.324 -12.969 255 HE3 LYS 30 3HE LYS 30 -5.582 8.704 -11.371 256 HZ1 LYS 30 3HZ LYS 30 -3.153 8.131 -11.478 257 HZ2 LYS 30 1HZ LYS 30 -3.611 6.540 -11.827 258 HZ3 LYS 30 2HZ LYS 30 -4.059 7.246 -10.356 259 H LEU 31 H LEU 31 -10.762 4.139 -10.227 260 HA LEU 31 HA LEU 31 -11.159 2.596 -12.579 261 HB2 LEU 31 2HB LEU 31 -11.251 1.944 -10.047 262 HB3 LEU 31 3HB LEU 31 -12.952 2.380 -10.202 263 HG LEU 31 HG LEU 31 -12.610 -0.028 -10.424 264 HD11 LEU 31 1HD1 LEU 31 -13.321 0.984 -13.150 265 HD12 LEU 31 2HD1 LEU 31 -14.346 1.329 -11.758 266 HD13 LEU 31 3HD1 LEU 31 -14.034 -0.341 -12.230 267 HD21 LEU 31 3HD2 LEU 31 -10.322 0.668 -11.805 268 HD22 LEU 31 1HD2 LEU 31 -11.392 0.041 -13.060 269 HD23 LEU 31 2HD2 LEU 31 -11.000 -0.954 -11.657 270 H GLU 32 H GLU 32 -13.210 4.847 -10.767 271 HA GLU 32 HA GLU 32 -15.513 4.494 -12.384 272 HB2 GLU 32 2HB GLU 32 -16.300 6.595 -11.324 273 HB3 GLU 32 3HB GLU 32 -15.728 5.408 -10.160 274 HG2 GLU 32 2HG GLU 32 -13.585 6.610 -10.025 275 HG3 GLU 32 3HG GLU 32 -14.221 7.824 -11.132 276 H GLU 33 H GLU 33 -12.828 6.791 -12.453 277 HA GLU 33 HA GLU 33 -13.875 8.414 -14.530 278 HB2 GLU 33 2HB GLU 33 -11.985 8.945 -12.864 279 HB3 GLU 33 3HB GLU 33 -10.941 8.059 -13.965 280 HG2 GLU 33 2HG GLU 33 -10.630 10.171 -14.741 281 HG3 GLU 33 3HG GLU 33 -11.992 9.679 -15.746 282 H SER 34 H SER 34 -11.898 5.516 -14.476 283 HA SER 34 HA SER 34 -11.051 5.563 -17.162 284 HB2 SER 34 2HB SER 34 -10.383 3.303 -16.843 285 HB3 SER 34 3HB SER 34 -10.171 4.086 -15.278 286 HG SER 34 HG SER 34 -11.743 2.000 -15.937 287 H GLU 35 H GLU 35 -13.872 4.083 -15.605 288 HA GLU 35 HA GLU 35 -14.889 3.044 -18.089 289 HB2 GLU 35 2HB GLU 35 -15.899 3.133 -15.265 290 HB3 GLU 35 3HB GLU 35 -16.974 2.673 -16.577 291 HG2 GLU 35 2HG GLU 35 -14.342 1.310 -16.336 292 HG3 GLU 35 3HG GLU 35 -15.637 0.875 -15.222 293 H GLY 36 H GLY 36 -14.824 6.077 -16.713 294 HA2 GLY 36 2HA GLY 36 -15.714 8.009 -17.714 295 HA3 GLY 36 3HA GLY 36 -16.889 7.007 -18.552 296 H ILE 37 H ILE 37 -17.957 5.610 -16.379 297 HA ILE 37 HA ILE 37 -19.001 7.694 -14.601 298 HB ILE 37 HB ILE 37 -21.306 6.656 -14.897 299 HG12 ILE 37 2HG1 ILE 37 -20.165 5.741 -17.539 300 HG13 ILE 37 3HG1 ILE 37 -20.375 4.662 -16.164 301 HG21 ILE 37 1HG2 ILE 37 -21.653 7.938 -17.101 302 HG22 ILE 37 2HG2 ILE 37 -21.056 8.826 -15.701 303 HG23 ILE 37 3HG2 ILE 37 -19.938 8.330 -16.972 304 HD11 ILE 37 3HD1 ILE 37 -22.544 4.421 -16.567 305 HD12 ILE 37 1HD1 ILE 37 -22.784 6.155 -16.781 306 HD13 ILE 37 2HD1 ILE 37 -22.221 5.169 -18.131 307 HA PRO 38 HA PRO 38 -18.667 4.658 -11.447 308 HB2 PRO 38 2HB PRO 38 -20.707 5.372 -9.804 309 HB3 PRO 38 3HB PRO 38 -19.221 6.316 -9.956 310 HG2 PRO 38 2HG PRO 38 -21.887 6.762 -11.241 311 HG3 PRO 38 3HG PRO 38 -20.791 7.943 -10.500 312 HD2 PRO 38 2HD PRO 38 -20.952 7.586 -13.179 313 HD3 PRO 38 3HD PRO 38 -19.444 8.052 -12.366 314 H GLY 39 H GLY 39 -19.336 2.612 -11.069 315 HA2 GLY 39 2HA GLY 39 -21.316 1.422 -12.658 316 HA3 GLY 39 3HA GLY 39 -20.563 0.683 -11.252 317 H ASN 40 H ASN 40 -21.399 2.316 -9.217 318 HA ASN 40 HA ASN 40 -24.053 3.091 -9.154 319 HB2 ASN 40 2HB ASN 40 -23.871 0.299 -9.420 320 HB3 ASN 40 3HB ASN 40 -24.283 0.586 -7.732 321 HD21 ASN 40 1HD2 ASN 40 -25.154 2.116 -10.815 322 HD22 ASN 40 2HD2 ASN 40 -26.861 2.037 -10.565 323 H MET 41 H MET 41 -22.342 0.820 -7.004 324 HA MET 41 HA MET 41 -22.489 2.854 -4.888 325 HB2 MET 41 2HB MET 41 -22.595 -0.112 -4.911 326 HB3 MET 41 3HB MET 41 -21.794 0.641 -3.538 327 HG2 MET 41 2HG MET 41 -23.777 1.886 -2.999 328 HG3 MET 41 3HG MET 41 -24.584 1.297 -4.450 329 HE1 MET 41 3HE MET 41 -26.407 0.633 -1.773 330 HE2 MET 41 1HE MET 41 -26.533 0.563 -3.531 331 HE3 MET 41 2HE MET 41 -26.802 -0.890 -2.570 332 H ILE 42 H ILE 42 -20.306 0.516 -6.406 333 HA ILE 42 HA ILE 42 -18.034 0.284 -6.351 334 HB ILE 42 HB ILE 42 -17.990 3.289 -6.128 335 HG12 ILE 42 2HG1 ILE 42 -17.849 2.642 -8.825 336 HG13 ILE 42 3HG1 ILE 42 -19.117 1.587 -8.210 337 HG21 ILE 42 1HG2 ILE 42 -16.156 1.882 -7.932 338 HG22 ILE 42 2HG2 ILE 42 -15.848 3.189 -6.790 339 HG23 ILE 42 3HG2 ILE 42 -15.931 1.522 -6.221 340 HD11 ILE 42 3HD1 ILE 42 -20.300 3.517 -7.319 341 HD12 ILE 42 1HD1 ILE 42 -19.025 4.580 -7.915 342 HD13 ILE 42 2HD1 ILE 42 -20.024 3.676 -9.054 343 H ARG 43 H ARG 43 -18.817 -0.383 -3.957 344 HA ARG 43 HA ARG 43 -17.044 1.075 -2.108 345 HB2 ARG 43 2HB ARG 43 -19.754 0.822 -1.836 346 HB3 ARG 43 3HB ARG 43 -19.175 -0.547 -0.895 347 HG2 ARG 43 2HG ARG 43 -19.296 1.122 0.685 348 HG3 ARG 43 3HG ARG 43 -17.600 1.192 0.202 349 HD2 ARG 43 2HD ARG 43 -18.479 3.429 0.314 350 HD3 ARG 43 3HD ARG 43 -18.168 3.015 -1.372 351 HE ARG 43 HE ARG 43 -20.389 3.306 -1.785 352 HH11 ARG 43 1HH1 ARG 43 -19.967 2.719 1.620 353 HH12 ARG 43 2HH1 ARG 43 -21.635 2.983 2.005 354 HH21 ARG 43 1HH2 ARG 43 -22.588 3.656 -1.291 355 HH22 ARG 43 2HH2 ARG 43 -23.126 3.515 0.348 356 H LEU 44 H LEU 44 -15.420 -0.065 -1.277 357 HA LEU 44 HA LEU 44 -15.458 -2.984 -1.612 358 HB2 LEU 44 2HB LEU 44 -13.007 -2.842 -1.384 359 HB3 LEU 44 3HB LEU 44 -13.633 -1.928 -2.755 360 HG LEU 44 HG LEU 44 -13.154 -0.467 -0.209 361 HD11 LEU 44 1HD1 LEU 44 -10.765 -0.194 -1.514 362 HD12 LEU 44 2HD1 LEU 44 -11.094 -1.918 -1.682 363 HD13 LEU 44 3HD1 LEU 44 -11.042 -1.182 -0.080 364 HD21 LEU 44 3HD2 LEU 44 -13.343 0.079 -3.104 365 HD22 LEU 44 1HD2 LEU 44 -12.177 1.046 -2.200 366 HD23 LEU 44 2HD2 LEU 44 -13.876 1.043 -1.726 367 H VAL 45 H VAL 45 -14.563 -4.314 0.078 368 HA VAL 45 HA VAL 45 -14.899 -3.113 2.750 369 HB VAL 45 HB VAL 45 -15.301 -6.014 2.012 370 HG11 VAL 45 1HG1 VAL 45 -14.638 -5.440 4.373 371 HG12 VAL 45 2HG1 VAL 45 -16.163 -4.562 4.504 372 HG13 VAL 45 3HG1 VAL 45 -16.168 -6.300 4.202 373 HG21 VAL 45 3HG2 VAL 45 -17.208 -3.714 2.146 374 HG22 VAL 45 1HG2 VAL 45 -17.084 -4.999 0.944 375 HG23 VAL 45 2HG2 VAL 45 -17.756 -5.343 2.538 376 H TYR 46 H TYR 46 -13.074 -2.917 3.850 377 HA TYR 46 HA TYR 46 -10.816 -4.671 3.197 378 HB2 TYR 46 2HB TYR 46 -10.902 -1.952 3.454 379 HB3 TYR 46 3HB TYR 46 -10.354 -2.435 5.056 380 HD1 TYR 46 HD2 TYR 46 -8.704 -4.802 4.399 381 HD2 TYR 46 HD1 TYR 46 -9.006 -1.030 2.455 382 HE1 TYR 46 HE2 TYR 46 -6.415 -5.069 3.538 383 HE2 TYR 46 HE1 TYR 46 -6.719 -1.287 1.587 384 HH TYR 46 HH TYR 46 -5.185 -3.609 1.105 385 H GLN 47 H GLN 47 -10.523 -6.370 4.465 386 HA GLN 47 HA GLN 47 -10.507 -7.750 6.275 387 HB2 GLN 47 2HB GLN 47 -9.187 -5.456 6.996 388 HB3 GLN 47 3HB GLN 47 -10.378 -5.612 8.281 389 HG2 GLN 47 2HG GLN 47 -9.301 -7.316 9.221 390 HG3 GLN 47 3HG GLN 47 -9.039 -8.119 7.673 391 HE21 GLN 47 1HE2 GLN 47 -7.465 -6.976 10.224 392 HE22 GLN 47 2HE2 GLN 47 -5.977 -6.486 9.497 393 H GLY 48 H GLY 48 -13.066 -6.845 5.344 394 HA2 GLY 48 2HA GLY 48 -15.232 -7.336 6.027 395 HA3 GLY 48 3HA GLY 48 -14.631 -7.577 7.661 396 H LYS 49 H LYS 49 -13.445 -4.681 6.609 397 HA LYS 49 HA LYS 49 -15.586 -3.229 7.999 398 HB2 LYS 49 2HB LYS 49 -12.730 -3.096 8.091 399 HB3 LYS 49 3HB LYS 49 -13.346 -1.549 7.524 400 HG2 LYS 49 2HG LYS 49 -13.103 -1.518 9.922 401 HG3 LYS 49 3HG LYS 49 -14.812 -1.429 9.490 402 HD2 LYS 49 2HD LYS 49 -14.525 -2.959 11.338 403 HD3 LYS 49 3HD LYS 49 -15.005 -3.860 9.898 404 HE2 LYS 49 2HE LYS 49 -12.926 -4.822 9.646 405 HE3 LYS 49 3HE LYS 49 -12.105 -3.526 10.515 406 HZ1 LYS 49 3HZ LYS 49 -12.648 -4.419 12.542 407 HZ2 LYS 49 1HZ LYS 49 -12.433 -5.827 11.629 408 HZ3 LYS 49 2HZ LYS 49 -13.993 -5.261 11.954 409 H GLN 50 H GLN 50 -16.304 -1.188 7.177 410 HA GLN 50 HA GLN 50 -16.060 -0.996 4.249 411 HB2 GLN 50 2HB GLN 50 -18.317 0.129 5.898 412 HB3 GLN 50 3HB GLN 50 -18.268 -0.125 4.159 413 HG2 GLN 50 2HG GLN 50 -18.134 -2.584 4.618 414 HG3 GLN 50 3HG GLN 50 -18.443 -2.213 6.313 415 HE21 GLN 50 1HE2 GLN 50 -20.464 -2.561 6.846 416 HE22 GLN 50 2HE2 GLN 50 -21.850 -2.277 5.854 417 H LEU 51 H LEU 51 -16.181 1.172 3.325 418 HA LEU 51 HA LEU 51 -15.470 3.322 3.126 419 HB2 LEU 51 2HB LEU 51 -15.802 3.651 6.086 420 HB3 LEU 51 3HB LEU 51 -15.994 4.856 4.814 421 HG LEU 51 HG LEU 51 -17.872 2.530 5.187 422 HD11 LEU 51 1HD1 LEU 51 -18.069 3.765 7.188 423 HD12 LEU 51 2HD1 LEU 51 -19.395 4.296 6.154 424 HD13 LEU 51 3HD1 LEU 51 -17.961 5.306 6.336 425 HD21 LEU 51 3HD2 LEU 51 -19.354 3.839 3.786 426 HD22 LEU 51 1HD2 LEU 51 -17.820 3.569 2.958 427 HD23 LEU 51 2HD2 LEU 51 -18.161 5.135 3.694 428 H GLU 52 H GLU 52 -13.363 3.220 2.592 429 HA GLU 52 HA GLU 52 -11.416 3.197 4.803 430 HB2 GLU 52 2HB GLU 52 -11.007 2.043 2.039 431 HB3 GLU 52 3HB GLU 52 -9.838 2.034 3.352 432 HG2 GLU 52 2HG GLU 52 -12.508 0.764 3.743 433 HG3 GLU 52 3HG GLU 52 -11.254 -0.084 2.840 434 H ASP 53 H ASP 53 -12.787 5.033 2.459 435 HA ASP 53 HA ASP 53 -10.719 6.325 1.138 436 HB2 ASP 53 2HB ASP 53 -13.386 6.598 1.107 437 HB3 ASP 53 3HB ASP 53 -12.980 8.005 2.086 438 H GLU 54 H GLU 54 -12.021 6.894 4.370 439 HA GLU 54 HA GLU 54 -10.528 9.239 4.905 440 HB2 GLU 54 2HB GLU 54 -12.479 7.715 6.229 441 HB3 GLU 54 3HB GLU 54 -11.077 7.707 7.290 442 HG2 GLU 54 2HG GLU 54 -11.131 10.305 6.692 443 HG3 GLU 54 3HG GLU 54 -12.842 9.935 6.492 444 H LYS 55 H LYS 55 -9.713 5.905 4.866 445 HA LYS 55 HA LYS 55 -7.296 6.333 6.458 446 HB2 LYS 55 2HB LYS 55 -8.755 3.906 5.475 447 HB3 LYS 55 3HB LYS 55 -7.061 3.781 5.931 448 HG2 LYS 55 2HG LYS 55 -8.157 3.196 7.874 449 HG3 LYS 55 3HG LYS 55 -7.811 4.908 8.131 450 HD2 LYS 55 2HD LYS 55 -10.301 4.718 6.786 451 HD3 LYS 55 3HD LYS 55 -10.329 3.578 8.133 452 HE2 LYS 55 2HE LYS 55 -9.526 5.440 9.604 453 HE3 LYS 55 3HE LYS 55 -9.755 6.535 8.242 454 HZ1 LYS 55 3HZ LYS 55 -11.713 5.344 9.996 455 HZ2 LYS 55 1HZ LYS 55 -12.125 5.275 8.357 456 HZ3 LYS 55 2HZ LYS 55 -11.799 6.766 9.084 457 H ARG 56 H ARG 56 -7.430 7.665 3.975 458 HA ARG 56 HA ARG 56 -6.353 6.443 1.770 459 HB2 ARG 56 2HB ARG 56 -5.104 8.771 1.540 460 HB3 ARG 56 3HB ARG 56 -6.846 8.636 1.341 461 HG2 ARG 56 2HG ARG 56 -6.001 9.103 4.099 462 HG3 ARG 56 3HG ARG 56 -5.579 10.401 2.980 463 HD2 ARG 56 2HD ARG 56 -8.129 9.882 2.227 464 HD3 ARG 56 3HD ARG 56 -8.210 9.510 3.949 465 HE ARG 56 HE ARG 56 -8.016 12.091 2.771 466 HH11 ARG 56 1HH1 ARG 56 -7.048 10.218 5.541 467 HH12 ARG 56 2HH1 ARG 56 -6.916 11.593 6.587 468 HH21 ARG 56 1HH2 ARG 56 -7.846 13.909 4.138 469 HH22 ARG 56 2HH2 ARG 56 -7.371 13.691 5.789 470 H LEU 57 H LEU 57 -4.216 8.487 3.718 471 HA LEU 57 HA LEU 57 -1.878 7.138 2.944 472 HB2 LEU 57 2HB LEU 57 -2.221 9.494 3.967 473 HB3 LEU 57 3HB LEU 57 -2.084 8.660 5.514 474 HG LEU 57 HG LEU 57 0.051 8.422 3.418 475 HD11 LEU 57 1HD1 LEU 57 0.015 10.481 5.611 476 HD12 LEU 57 2HD1 LEU 57 -0.423 10.832 3.939 477 HD13 LEU 57 3HD1 LEU 57 1.208 10.284 4.326 478 HD21 LEU 57 3HD2 LEU 57 1.221 8.359 5.870 479 HD22 LEU 57 1HD2 LEU 57 0.705 6.935 4.966 480 HD23 LEU 57 2HD2 LEU 57 -0.343 7.617 6.210 481 H LYS 58 H LYS 58 -4.027 6.725 5.688 482 HA LYS 58 HA LYS 58 -2.425 5.106 7.300 483 HB2 LYS 58 2HB LYS 58 -5.162 5.915 7.205 484 HB3 LYS 58 3HB LYS 58 -5.108 4.178 7.476 485 HG2 LYS 58 2HG LYS 58 -3.182 5.514 9.140 486 HG3 LYS 58 3HG LYS 58 -4.790 6.206 9.365 487 HD2 LYS 58 2HD LYS 58 -5.711 4.062 9.898 488 HD3 LYS 58 3HD LYS 58 -4.209 3.248 9.450 489 HE2 LYS 58 2HE LYS 58 -3.104 3.963 11.351 490 HE3 LYS 58 3HE LYS 58 -4.189 5.331 11.593 491 HZ1 LYS 58 3HZ LYS 58 -4.734 3.777 13.243 492 HZ2 LYS 58 1HZ LYS 58 -4.704 2.473 12.166 493 HZ3 LYS 58 2HZ LYS 58 -5.951 3.612 12.079 494 H ASP 59 H ASP 59 -4.095 4.410 4.348 495 HA ASP 59 HA ASP 59 -3.966 1.542 4.669 496 HB2 ASP 59 2HB ASP 59 -5.080 3.433 2.700 497 HB3 ASP 59 3HB ASP 59 -4.482 1.921 2.020 498 H TYR 60 H TYR 60 -1.851 3.994 3.674 499 HA TYR 60 HA TYR 60 -0.339 2.488 1.767 500 HB2 TYR 60 2HB TYR 60 -0.378 4.962 1.782 501 HB3 TYR 60 3HB TYR 60 0.457 4.953 3.331 502 HD1 TYR 60 HD1 TYR 60 0.850 3.627 -0.141 503 HD2 TYR 60 HD2 TYR 60 2.760 5.160 3.339 504 HE1 TYR 60 HE1 TYR 60 3.011 3.584 -1.315 505 HE2 TYR 60 HE2 TYR 60 4.925 5.122 2.174 506 HH TYR 60 HH TYR 60 5.982 4.726 0.263 507 H GLN 61 H GLN 61 -0.507 2.564 5.170 508 HA GLN 61 HA GLN 61 2.195 1.654 5.630 509 HB2 GLN 61 2HB GLN 61 -0.051 2.549 7.247 510 HB3 GLN 61 3HB GLN 61 0.723 1.125 7.930 511 HG2 GLN 61 2HG GLN 61 2.919 2.413 7.591 512 HG3 GLN 61 3HG GLN 61 1.887 3.831 7.413 513 HE21 GLN 61 1HE2 GLN 61 0.206 4.033 9.200 514 HE22 GLN 61 2HE2 GLN 61 0.769 3.752 10.808 515 H MET 62 H MET 62 -0.538 0.216 4.450 516 HA MET 62 HA MET 62 -0.253 -2.339 5.773 517 HB2 MET 62 2HB MET 62 -1.874 -1.798 3.294 518 HB3 MET 62 3HB MET 62 -2.123 -3.047 4.507 519 HG2 MET 62 2HG MET 62 -2.533 -0.089 4.879 520 HG3 MET 62 3HG MET 62 -3.790 -1.313 4.715 521 HE1 MET 62 3HE MET 62 -4.730 -1.212 8.211 522 HE2 MET 62 1HE MET 62 -5.086 -0.949 6.503 523 HE3 MET 62 2HE MET 62 -4.808 -2.584 7.104 524 H SER 63 H SER 63 -0.230 -1.489 2.309 525 HA SER 63 HA SER 63 0.926 -2.349 0.547 526 HB2 SER 63 2HB SER 63 3.197 -2.926 2.438 527 HB3 SER 63 3HB SER 63 3.269 -2.413 0.752 528 HG SER 63 HG SER 63 2.894 -0.912 3.058 529 H ALA 64 H ALA 64 -0.644 -4.165 2.293 530 HA ALA 64 HA ALA 64 -0.097 -6.586 0.998 531 HB1 ALA 64 1HB ALA 64 1.819 -6.959 2.261 532 HB2 ALA 64 2HB ALA 64 1.100 -6.294 3.728 533 HB3 ALA 64 3HB ALA 64 0.580 -7.868 3.128 534 H GLY 65 H GLY 65 -2.388 -5.156 1.375 535 HA2 GLY 65 2HA GLY 65 -3.926 -6.910 3.187 536 HA3 GLY 65 3HA GLY 65 -4.258 -5.189 3.062 537 H ALA 66 H ALA 66 -5.344 -8.119 2.139 538 HA ALA 66 HA ALA 66 -5.953 -7.830 -0.588 539 HB1 ALA 66 1HB ALA 66 -7.910 -9.280 1.073 540 HB2 ALA 66 2HB ALA 66 -7.046 -9.792 -0.377 541 HB3 ALA 66 3HB ALA 66 -6.238 -9.829 1.190 542 H THR 67 H THR 67 -7.579 -6.849 -1.671 543 HA THR 67 HA THR 67 -9.589 -5.398 -0.076 544 HB THR 67 HB THR 67 -9.278 -4.067 -2.553 545 HG1 THR 67 HG1 THR 67 -7.085 -3.579 -2.555 546 HG21 THR 67 3HG2 THR 67 -8.273 -3.218 0.162 547 HG22 THR 67 1HG2 THR 67 -9.961 -3.133 -0.338 548 HG23 THR 67 2HG2 THR 67 -8.744 -2.172 -1.177 549 H PHE 68 H PHE 68 -11.680 -5.441 -0.777 550 HA PHE 68 HA PHE 68 -12.239 -6.873 -3.284 551 HB2 PHE 68 2HB PHE 68 -12.663 -8.510 -1.623 552 HB3 PHE 68 3HB PHE 68 -13.449 -7.343 -0.565 553 HD1 PHE 68 HD1 PHE 68 -13.827 -8.789 -3.982 554 HD2 PHE 68 HD2 PHE 68 -15.741 -7.353 -0.462 555 HE1 PHE 68 HE1 PHE 68 -16.013 -9.427 -4.915 556 HE2 PHE 68 HE2 PHE 68 -17.930 -7.988 -1.389 557 HZ PHE 68 HZ PHE 68 -18.068 -9.027 -3.617 558 H HIS 69 H HIS 69 -13.236 -5.508 -4.601 559 HA HIS 69 HA HIS 69 -14.823 -3.319 -3.523 560 HB2 HIS 69 2HB HIS 69 -13.829 -3.990 -6.289 561 HB3 HIS 69 3HB HIS 69 -14.968 -2.680 -5.994 562 HD1 HIS 69 HD1 HIS 69 -11.857 -3.587 -4.009 563 HD2 HIS 69 HD2 HIS 69 -13.418 -0.470 -6.269 564 HE1 HIS 69 HE1 HIS 69 -10.207 -1.703 -3.786 565 H MET 70 H MET 70 -16.997 -2.985 -3.946 566 HA MET 70 HA MET 70 -18.438 -5.233 -5.185 567 HB2 MET 70 2HB MET 70 -18.743 -5.473 -2.819 568 HB3 MET 70 3HB MET 70 -19.116 -3.764 -2.637 569 HG2 MET 70 2HG MET 70 -21.256 -4.022 -3.272 570 HG3 MET 70 3HG MET 70 -20.866 -5.256 -4.467 571 HE1 MET 70 3HE MET 70 -21.076 -7.743 -4.123 572 HE2 MET 70 1HE MET 70 -22.257 -8.282 -2.929 573 HE3 MET 70 2HE MET 70 -22.675 -7.001 -4.068 574 H VAL 71 H VAL 71 -19.804 -4.664 -6.750 575 HA VAL 71 HA VAL 71 -20.855 -1.919 -6.794 576 HB VAL 71 HB VAL 71 -19.046 -1.853 -8.357 577 HG11 VAL 71 1HG1 VAL 71 -19.726 -3.711 -10.357 578 HG12 VAL 71 2HG1 VAL 71 -18.309 -3.722 -9.304 579 HG13 VAL 71 3HG1 VAL 71 -19.773 -4.583 -8.825 580 HG21 VAL 71 3HG2 VAL 71 -20.185 -1.248 -10.374 581 HG22 VAL 71 1HG2 VAL 71 -21.562 -2.269 -9.963 582 HG23 VAL 71 2HG2 VAL 71 -21.224 -0.821 -9.015 583 H VAL 72 H VAL 72 -22.983 -2.148 -6.587 584 HA VAL 72 HA VAL 72 -24.316 -4.305 -8.091 585 HB VAL 72 HB VAL 72 -24.664 -4.673 -5.758 586 HG11 VAL 72 1HG1 VAL 72 -24.662 -1.809 -5.633 587 HG12 VAL 72 2HG1 VAL 72 -26.104 -2.445 -4.840 588 HG13 VAL 72 3HG1 VAL 72 -24.504 -2.983 -4.327 589 HG21 VAL 72 3HG2 VAL 72 -27.235 -3.332 -6.372 590 HG22 VAL 72 1HG2 VAL 72 -26.668 -4.557 -7.507 591 HG23 VAL 72 2HG2 VAL 72 -26.918 -4.974 -5.811 592 H ALA 73 H ALA 73 -25.125 -3.472 -9.909 593 HA ALA 73 HA ALA 73 -26.684 -0.980 -9.708 594 HB1 ALA 73 1HB ALA 73 -25.827 -0.139 -11.687 595 HB2 ALA 73 2HB ALA 73 -24.408 -0.878 -10.943 596 HB3 ALA 73 3HB ALA 73 -25.265 -1.719 -12.235 597 H LEU 74 H LEU 74 -28.680 -1.937 -9.591 598 HA LEU 74 HA LEU 74 -29.483 -3.539 -11.931 599 HB2 LEU 74 2HB LEU 74 -31.273 -4.423 -10.282 600 HB3 LEU 74 3HB LEU 74 -29.640 -5.084 -10.235 601 HG LEU 74 HG LEU 74 -29.157 -3.581 -8.307 602 HD11 LEU 74 1HD1 LEU 74 -31.271 -2.758 -7.119 603 HD12 LEU 74 2HD1 LEU 74 -32.054 -2.910 -8.691 604 HD13 LEU 74 3HD1 LEU 74 -30.680 -1.823 -8.493 605 HD21 LEU 74 3HD2 LEU 74 -30.525 -4.879 -6.683 606 HD22 LEU 74 1HD2 LEU 74 -29.699 -5.876 -7.880 607 HD23 LEU 74 2HD2 LEU 74 -31.424 -5.550 -8.045 608 H ARG 75 H ARG 75 -29.573 -0.638 -11.552 609 HA ARG 75 HA ARG 75 -32.334 0.044 -11.084 610 HB2 ARG 75 2HB ARG 75 -29.817 1.485 -11.571 611 HB3 ARG 75 3HB ARG 75 -31.237 2.249 -12.274 612 HG2 ARG 75 2HG ARG 75 -30.824 3.143 -10.076 613 HG3 ARG 75 3HG ARG 75 -32.323 2.213 -10.069 614 HD2 ARG 75 2HD ARG 75 -31.491 0.634 -8.682 615 HD3 ARG 75 3HD ARG 75 -29.877 0.715 -9.389 616 HE ARG 75 HE ARG 75 -29.289 2.207 -7.763 617 HH11 ARG 75 1HH1 ARG 75 -32.763 2.046 -7.940 618 HH12 ARG 75 2HH1 ARG 75 -33.010 3.040 -6.543 619 HH21 ARG 75 1HH2 ARG 75 -29.603 3.517 -5.922 620 HH22 ARG 75 2HH2 ARG 75 -31.212 3.877 -5.397 621 H ALA 76 H ALA 76 -30.176 0.292 -13.916 622 HA ALA 76 HA ALA 76 -32.134 -0.729 -15.705 623 HB1 ALA 76 1HB ALA 76 -31.592 2.079 -16.435 624 HB2 ALA 76 2HB ALA 76 -33.045 1.104 -16.662 625 HB3 ALA 76 3HB ALA 76 -32.701 1.822 -15.088 626 H GLY 77 H GLY 77 -31.370 -0.822 -17.918 627 HA2 GLY 77 2HA GLY 77 -28.625 0.009 -18.417 628 HA3 GLY 77 3HA GLY 77 -28.902 -1.726 -18.367 629 H CYS 78 H CYS 78 -30.864 0.921 -19.706 630 HA CYS 78 HA CYS 78 -30.248 0.341 -22.409 631 HB2 CYS 78 2HB CYS 78 -32.102 -1.426 -21.235 632 HB3 CYS 78 3HB CYS 78 -33.044 -0.336 -22.244 633 HG CYS 78 HG CYS 78 -32.525 -1.508 -24.461 Start of MODEL 2 1 H MET 1 H MET 1 1.682 -0.481 1.023 2 HA MET 1 HA MET 1 2.087 0.672 -1.431 3 HB2 MET 1 2HB MET 1 3.749 -0.509 0.174 4 HB3 MET 1 3HB MET 1 3.386 -1.952 -0.762 5 HG2 MET 1 2HG MET 1 4.358 -1.110 -2.684 6 HG3 MET 1 3HG MET 1 4.232 0.559 -2.136 7 HE1 MET 1 3HE MET 1 6.900 -2.464 -0.053 8 HE2 MET 1 1HE MET 1 5.346 -2.745 -0.839 9 HE3 MET 1 2HE MET 1 6.827 -2.733 -1.795 10 H LEU 2 H LEU 2 1.664 -2.850 -1.044 11 HA LEU 2 HA LEU 2 0.479 -2.909 -3.734 12 HB2 LEU 2 2HB LEU 2 2.387 -4.281 -3.685 13 HB3 LEU 2 3HB LEU 2 1.958 -4.958 -2.115 14 HG LEU 2 HG LEU 2 0.121 -5.487 -4.388 15 HD11 LEU 2 1HD1 LEU 2 2.943 -6.201 -4.393 16 HD12 LEU 2 2HD1 LEU 2 1.748 -6.284 -5.687 17 HD13 LEU 2 3HD1 LEU 2 1.872 -7.597 -4.516 18 HD21 LEU 2 3HD2 LEU 2 0.398 -6.344 -1.757 19 HD22 LEU 2 1HD2 LEU 2 0.953 -7.704 -2.734 20 HD23 LEU 2 2HD2 LEU 2 -0.657 -7.033 -2.991 21 H LEU 3 H LEU 3 -1.612 -3.350 -3.947 22 HA LEU 3 HA LEU 3 -2.972 -4.923 -1.885 23 HB2 LEU 3 2HB LEU 3 -4.688 -3.390 -1.545 24 HB3 LEU 3 3HB LEU 3 -3.225 -2.408 -1.531 25 HG LEU 3 HG LEU 3 -5.065 -2.679 -3.906 26 HD11 LEU 3 1HD1 LEU 3 -5.375 -0.141 -3.102 27 HD12 LEU 3 2HD1 LEU 3 -5.142 -0.921 -1.538 28 HD13 LEU 3 3HD1 LEU 3 -6.442 -1.454 -2.603 29 HD21 LEU 3 3HD2 LEU 3 -2.671 -0.961 -3.301 30 HD22 LEU 3 1HD2 LEU 3 -3.830 -0.575 -4.574 31 HD23 LEU 3 2HD2 LEU 3 -2.906 -2.076 -4.649 32 H LYS 4 H LYS 4 -4.798 -6.051 -2.598 33 HA LYS 4 HA LYS 4 -5.058 -6.196 -5.528 34 HB2 LYS 4 2HB LYS 4 -4.261 -8.279 -4.683 35 HB3 LYS 4 3HB LYS 4 -5.448 -8.283 -3.385 36 HG2 LYS 4 2HG LYS 4 -7.237 -8.640 -4.957 37 HG3 LYS 4 3HG LYS 4 -6.116 -8.497 -6.313 38 HD2 LYS 4 2HD LYS 4 -6.133 -10.760 -6.160 39 HD3 LYS 4 3HD LYS 4 -4.891 -10.446 -4.945 40 HE2 LYS 4 2HE LYS 4 -6.213 -11.107 -3.248 41 HE3 LYS 4 3HE LYS 4 -7.648 -10.353 -3.940 42 HZ1 LYS 4 3HZ LYS 4 -6.957 -13.056 -3.942 43 HZ2 LYS 4 1HZ LYS 4 -6.907 -12.528 -5.549 44 HZ3 LYS 4 2HZ LYS 4 -8.317 -12.328 -4.637 45 H VAL 5 H VAL 5 -6.805 -5.162 -6.230 46 HA VAL 5 HA VAL 5 -9.226 -5.163 -4.560 47 HB VAL 5 HB VAL 5 -9.978 -3.267 -5.977 48 HG11 VAL 5 1HG1 VAL 5 -8.013 -1.706 -5.167 49 HG12 VAL 5 2HG1 VAL 5 -9.111 -2.470 -4.015 50 HG13 VAL 5 3HG1 VAL 5 -7.517 -3.165 -4.309 51 HG21 VAL 5 3HG2 VAL 5 -8.982 -2.878 -7.924 52 HG22 VAL 5 1HG2 VAL 5 -7.518 -2.411 -7.059 53 HG23 VAL 5 2HG2 VAL 5 -7.747 -4.085 -7.566 54 H LYS 6 H LYS 6 -10.914 -6.340 -5.169 55 HA LYS 6 HA LYS 6 -11.128 -7.139 -7.997 56 HB2 LYS 6 2HB LYS 6 -12.189 -9.261 -7.133 57 HB3 LYS 6 3HB LYS 6 -10.465 -9.099 -6.825 58 HG2 LYS 6 2HG LYS 6 -10.791 -9.347 -4.652 59 HG3 LYS 6 3HG LYS 6 -11.921 -7.992 -4.630 60 HD2 LYS 6 2HD LYS 6 -13.118 -9.868 -3.819 61 HD3 LYS 6 3HD LYS 6 -13.676 -9.605 -5.473 62 HE2 LYS 6 2HE LYS 6 -12.955 -11.611 -6.127 63 HE3 LYS 6 3HE LYS 6 -11.380 -11.370 -5.373 64 HZ1 LYS 6 3HZ LYS 6 -13.083 -13.206 -4.553 65 HZ2 LYS 6 1HZ LYS 6 -13.621 -11.921 -3.593 66 HZ3 LYS 6 2HZ LYS 6 -12.012 -12.433 -3.497 67 H THR 7 H THR 7 -12.971 -6.584 -8.952 68 HA THR 7 HA THR 7 -15.096 -5.404 -7.370 69 HB THR 7 HB THR 7 -15.673 -5.663 -10.208 70 HG1 THR 7 HG1 THR 7 -13.927 -4.589 -11.006 71 HG21 THR 7 3HG2 THR 7 -16.509 -4.022 -8.346 72 HG22 THR 7 1HG2 THR 7 -16.316 -3.454 -10.004 73 HG23 THR 7 2HG2 THR 7 -15.079 -3.095 -8.800 74 H VAL 8 H VAL 8 -17.404 -5.923 -8.059 75 HA VAL 8 HA VAL 8 -17.928 -8.647 -7.496 76 HB VAL 8 HB VAL 8 -19.463 -6.781 -6.906 77 HG11 VAL 8 1HG1 VAL 8 -19.165 -5.820 -9.333 78 HG12 VAL 8 2HG1 VAL 8 -20.570 -6.833 -9.670 79 HG13 VAL 8 3HG1 VAL 8 -20.665 -5.573 -8.439 80 HG21 VAL 8 3HG2 VAL 8 -21.070 -8.612 -8.609 81 HG22 VAL 8 1HG2 VAL 8 -20.074 -9.316 -7.335 82 HG23 VAL 8 2HG2 VAL 8 -21.311 -8.126 -6.931 83 H SER 9 H SER 9 -17.093 -7.100 -10.366 84 HA SER 9 HA SER 9 -18.553 -8.910 -12.108 85 HB2 SER 9 2HB SER 9 -16.920 -6.457 -12.466 86 HB3 SER 9 3HB SER 9 -16.910 -7.610 -13.800 87 HG SER 9 HG SER 9 -18.626 -5.917 -13.741 88 H ASN 10 H ASN 10 -16.178 -9.541 -10.175 89 HA ASN 10 HA ASN 10 -14.555 -11.136 -10.097 90 HB2 ASN 10 2HB ASN 10 -16.304 -12.061 -12.022 91 HB3 ASN 10 3HB ASN 10 -14.756 -12.075 -12.862 92 HD21 ASN 10 1HD2 ASN 10 -16.334 -14.334 -12.120 93 HD22 ASN 10 2HD2 ASN 10 -15.386 -15.286 -11.034 94 H LYS 11 H LYS 11 -13.930 -8.477 -10.871 95 HA LYS 11 HA LYS 11 -11.709 -8.889 -12.760 96 HB2 LYS 11 2HB LYS 11 -13.258 -6.415 -12.002 97 HB3 LYS 11 3HB LYS 11 -11.732 -6.342 -12.874 98 HG2 LYS 11 2HG LYS 11 -12.773 -7.818 -14.617 99 HG3 LYS 11 3HG LYS 11 -14.312 -7.590 -13.783 100 HD2 LYS 11 2HD LYS 11 -13.887 -5.090 -14.025 101 HD3 LYS 11 3HD LYS 11 -12.607 -5.529 -15.159 102 HE2 LYS 11 2HE LYS 11 -15.516 -6.294 -15.402 103 HE3 LYS 11 3HE LYS 11 -14.714 -5.011 -16.306 104 HZ1 LYS 11 3HZ LYS 11 -13.124 -6.972 -16.951 105 HZ2 LYS 11 1HZ LYS 11 -14.572 -6.714 -17.789 106 HZ3 LYS 11 2HZ LYS 11 -14.485 -7.915 -16.601 107 H VAL 12 H VAL 12 -10.207 -9.691 -11.292 108 HA VAL 12 HA VAL 12 -9.543 -8.078 -8.953 109 HB VAL 12 HB VAL 12 -8.240 -10.652 -9.834 110 HG11 VAL 12 1HG1 VAL 12 -8.408 -10.053 -6.991 111 HG12 VAL 12 2HG1 VAL 12 -7.019 -10.535 -7.968 112 HG13 VAL 12 3HG1 VAL 12 -7.504 -8.840 -7.897 113 HG21 VAL 12 3HG2 VAL 12 -9.903 -11.224 -7.692 114 HG22 VAL 12 1HG2 VAL 12 -10.879 -10.185 -8.731 115 HG23 VAL 12 2HG2 VAL 12 -10.173 -11.667 -9.378 116 H ILE 13 H ILE 13 -7.794 -6.804 -8.794 117 HA ILE 13 HA ILE 13 -5.727 -6.982 -10.875 118 HB ILE 13 HB ILE 13 -6.924 -4.390 -9.891 119 HG12 ILE 13 2HG1 ILE 13 -8.452 -5.617 -11.385 120 HG13 ILE 13 3HG1 ILE 13 -7.836 -4.156 -12.149 121 HG21 ILE 13 1HG2 ILE 13 -4.741 -5.010 -11.866 122 HG22 ILE 13 2HG2 ILE 13 -5.546 -3.445 -11.775 123 HG23 ILE 13 3HG2 ILE 13 -4.632 -4.048 -10.392 124 HD11 ILE 13 3HD1 ILE 13 -7.724 -6.838 -13.069 125 HD12 ILE 13 1HD1 ILE 13 -7.173 -5.366 -13.870 126 HD13 ILE 13 2HD1 ILE 13 -6.077 -6.260 -12.815 127 H GLN 14 H GLN 14 -3.845 -7.350 -9.924 128 HA GLN 14 HA GLN 14 -3.411 -6.375 -7.191 129 HB2 GLN 14 2HB GLN 14 -1.499 -7.997 -7.189 130 HB3 GLN 14 3HB GLN 14 -3.084 -8.737 -7.372 131 HG2 GLN 14 2HG GLN 14 -1.941 -8.116 -9.940 132 HG3 GLN 14 3HG GLN 14 -0.847 -9.112 -8.982 133 HE21 GLN 14 1HE2 GLN 14 -1.238 -11.224 -8.818 134 HE22 GLN 14 2HE2 GLN 14 -2.655 -12.022 -9.401 135 H ILE 15 H ILE 15 -2.379 -4.501 -7.055 136 HA ILE 15 HA ILE 15 -0.224 -3.943 -8.988 137 HB ILE 15 HB ILE 15 -0.649 -1.543 -8.609 138 HG12 ILE 15 2HG1 ILE 15 -1.824 -2.137 -6.328 139 HG13 ILE 15 3HG1 ILE 15 -2.320 -0.718 -7.244 140 HG21 ILE 15 1HG2 ILE 15 -2.895 -3.252 -9.636 141 HG22 ILE 15 2HG2 ILE 15 -2.911 -1.494 -9.767 142 HG23 ILE 15 3HG2 ILE 15 -1.636 -2.425 -10.553 143 HD11 ILE 15 3HD1 ILE 15 -3.721 -3.277 -7.773 144 HD12 ILE 15 1HD1 ILE 15 -4.067 -2.427 -6.267 145 HD13 ILE 15 2HD1 ILE 15 -4.326 -1.621 -7.815 146 H THR 16 H THR 16 1.630 -2.831 -8.216 147 HA THR 16 HA THR 16 1.983 -2.909 -5.292 148 HB THR 16 HB THR 16 3.162 -4.820 -6.189 149 HG1 THR 16 HG1 THR 16 4.323 -3.897 -4.557 150 HG21 THR 16 3HG2 THR 16 3.382 -3.764 -8.510 151 HG22 THR 16 1HG2 THR 16 4.733 -4.742 -7.937 152 HG23 THR 16 2HG2 THR 16 4.833 -2.982 -7.883 153 H SER 17 H SER 17 1.230 -0.578 -6.209 154 HA SER 17 HA SER 17 3.428 1.138 -5.695 155 HB2 SER 17 2HB SER 17 4.129 0.825 -7.934 156 HB3 SER 17 3HB SER 17 2.476 0.888 -8.545 157 HG SER 17 HG SER 17 4.184 2.877 -8.334 158 H LEU 18 H LEU 18 1.643 1.499 -4.132 159 HA LEU 18 HA LEU 18 -0.457 3.256 -5.204 160 HB2 LEU 18 2HB LEU 18 -0.401 1.221 -3.159 161 HB3 LEU 18 3HB LEU 18 -0.990 2.750 -2.511 162 HG LEU 18 HG LEU 18 -2.757 1.163 -3.324 163 HD11 LEU 18 1HD1 LEU 18 -4.036 2.965 -3.539 164 HD12 LEU 18 2HD1 LEU 18 -3.263 3.406 -5.061 165 HD13 LEU 18 3HD1 LEU 18 -2.563 3.935 -3.531 166 HD21 LEU 18 3HD2 LEU 18 -3.127 0.947 -5.698 167 HD22 LEU 18 1HD2 LEU 18 -1.511 0.363 -5.303 168 HD23 LEU 18 2HD2 LEU 18 -1.718 1.950 -6.044 169 H THR 19 H THR 19 -0.953 5.218 -4.107 170 HA THR 19 HA THR 19 1.396 6.578 -3.140 171 HB THR 19 HB THR 19 -1.194 7.974 -2.936 172 HG1 THR 19 HG1 THR 19 -1.469 8.088 -5.177 173 HG21 THR 19 3HG2 THR 19 0.382 9.423 -4.595 174 HG22 THR 19 1HG2 THR 19 1.599 8.514 -3.702 175 HG23 THR 19 2HG2 THR 19 0.444 9.527 -2.836 176 H ASP 20 H ASP 20 0.886 8.222 -1.242 177 HA ASP 20 HA ASP 20 -0.297 6.670 0.967 178 HB2 ASP 20 2HB ASP 20 1.470 8.135 2.317 179 HB3 ASP 20 3HB ASP 20 1.902 6.583 1.603 180 H ASP 21 H ASP 21 -0.950 9.147 -0.906 181 HA ASP 21 HA ASP 21 -1.666 11.057 1.191 182 HB2 ASP 21 2HB ASP 21 -0.947 11.272 -1.582 183 HB3 ASP 21 3HB ASP 21 -2.538 11.987 -1.335 184 H ASN 22 H ASN 22 -3.191 9.305 -1.506 185 HA ASN 22 HA ASN 22 -5.776 9.623 -0.127 186 HB2 ASN 22 2HB ASN 22 -5.077 9.594 -3.049 187 HB3 ASN 22 3HB ASN 22 -6.697 9.156 -2.513 188 HD21 ASN 22 1HD2 ASN 22 -7.296 11.022 -3.820 189 HD22 ASN 22 2HD2 ASN 22 -7.241 12.593 -3.103 190 H THR 23 H THR 23 -3.783 7.445 -2.079 191 HA THR 23 HA THR 23 -3.687 5.175 -2.224 192 HB THR 23 HB THR 23 -5.072 5.352 0.457 193 HG1 THR 23 HG1 THR 23 -2.370 5.084 -0.379 194 HG21 THR 23 3HG2 THR 23 -5.568 3.179 -0.195 195 HG22 THR 23 1HG2 THR 23 -4.033 2.978 0.649 196 HG23 THR 23 2HG2 THR 23 -4.073 3.005 -1.114 197 H ILE 24 H ILE 24 -6.734 5.218 -0.437 198 HA ILE 24 HA ILE 24 -8.008 3.565 -2.386 199 HB ILE 24 HB ILE 24 -9.293 5.053 -0.096 200 HG12 ILE 24 2HG1 ILE 24 -9.083 2.482 0.746 201 HG13 ILE 24 3HG1 ILE 24 -7.606 2.628 -0.200 202 HG21 ILE 24 1HG2 ILE 24 -10.367 3.465 -2.180 203 HG22 ILE 24 2HG2 ILE 24 -10.503 2.548 -0.680 204 HG23 ILE 24 3HG2 ILE 24 -11.202 4.163 -0.792 205 HD11 ILE 24 3HD1 ILE 24 -7.987 3.399 2.430 206 HD12 ILE 24 1HD1 ILE 24 -6.616 3.799 1.396 207 HD13 ILE 24 2HD1 ILE 24 -7.980 4.910 1.522 208 H ALA 25 H ALA 25 -8.425 6.946 -1.371 209 HA ALA 25 HA ALA 25 -10.525 7.608 -3.088 210 HB1 ALA 25 1HB ALA 25 -9.055 8.935 -1.191 211 HB2 ALA 25 2HB ALA 25 -8.617 9.774 -2.679 212 HB3 ALA 25 3HB ALA 25 -10.310 9.648 -2.204 213 H GLU 26 H GLU 26 -7.036 7.591 -3.621 214 HA GLU 26 HA GLU 26 -7.113 8.840 -6.169 215 HB2 GLU 26 2HB GLU 26 -5.062 8.807 -4.883 216 HB3 GLU 26 3HB GLU 26 -5.039 7.049 -4.897 217 HG2 GLU 26 2HG GLU 26 -3.880 7.059 -6.774 218 HG3 GLU 26 3HG GLU 26 -5.163 7.957 -7.584 219 H LEU 27 H LEU 27 -7.163 5.474 -5.103 220 HA LEU 27 HA LEU 27 -6.957 4.313 -7.673 221 HB2 LEU 27 2HB LEU 27 -7.260 3.432 -4.985 222 HB3 LEU 27 3HB LEU 27 -8.481 2.630 -5.970 223 HG LEU 27 HG LEU 27 -5.516 2.589 -6.526 224 HD11 LEU 27 1HD1 LEU 27 -6.716 1.318 -4.466 225 HD12 LEU 27 2HD1 LEU 27 -5.305 0.701 -5.327 226 HD13 LEU 27 3HD1 LEU 27 -6.918 0.125 -5.750 227 HD21 LEU 27 3HD2 LEU 27 -7.696 2.073 -8.200 228 HD22 LEU 27 1HD2 LEU 27 -7.085 0.491 -7.714 229 HD23 LEU 27 2HD2 LEU 27 -6.005 1.656 -8.481 230 H LYS 28 H LYS 28 -9.768 4.982 -5.597 231 HA LYS 28 HA LYS 28 -11.704 4.043 -7.425 232 HB2 LYS 28 2HB LYS 28 -13.329 5.179 -6.020 233 HB3 LYS 28 3HB LYS 28 -12.141 4.356 -5.018 234 HG2 LYS 28 2HG LYS 28 -10.964 6.515 -4.722 235 HG3 LYS 28 3HG LYS 28 -12.263 7.303 -5.620 236 HD2 LYS 28 2HD LYS 28 -12.648 5.709 -3.088 237 HD3 LYS 28 3HD LYS 28 -12.523 7.468 -3.157 238 HE2 LYS 28 2HE LYS 28 -14.450 7.043 -4.998 239 HE3 LYS 28 3HE LYS 28 -14.750 5.687 -3.912 240 HZ1 LYS 28 3HZ LYS 28 -14.904 8.575 -3.351 241 HZ2 LYS 28 1HZ LYS 28 -14.619 7.483 -2.090 242 HZ3 LYS 28 2HZ LYS 28 -16.031 7.360 -3.012 243 H GLY 29 H GLY 29 -10.277 7.229 -6.874 244 HA2 GLY 29 2HA GLY 29 -11.994 8.652 -8.627 245 HA3 GLY 29 3HA GLY 29 -10.419 9.190 -8.064 246 H LYS 30 H LYS 30 -8.999 6.889 -9.126 247 HA LYS 30 HA LYS 30 -8.540 7.880 -11.765 248 HB2 LYS 30 2HB LYS 30 -7.425 5.614 -10.140 249 HB3 LYS 30 3HB LYS 30 -7.034 5.760 -11.848 250 HG2 LYS 30 2HG LYS 30 -6.675 8.263 -10.435 251 HG3 LYS 30 3HG LYS 30 -5.707 6.958 -9.746 252 HD2 LYS 30 2HD LYS 30 -5.137 6.483 -12.267 253 HD3 LYS 30 3HD LYS 30 -5.604 8.174 -12.469 254 HE2 LYS 30 2HE LYS 30 -3.921 8.906 -10.966 255 HE3 LYS 30 3HE LYS 30 -3.602 7.263 -10.415 256 HZ1 LYS 30 3HZ LYS 30 -2.707 6.722 -12.568 257 HZ2 LYS 30 1HZ LYS 30 -1.910 8.085 -11.962 258 HZ3 LYS 30 2HZ LYS 30 -3.086 8.259 -13.165 259 H LEU 31 H LEU 31 -10.182 5.081 -10.407 260 HA LEU 31 HA LEU 31 -10.573 3.719 -12.868 261 HB2 LEU 31 2HB LEU 31 -10.769 2.884 -10.411 262 HB3 LEU 31 3HB LEU 31 -12.432 3.450 -10.542 263 HG LEU 31 HG LEU 31 -11.272 1.488 -12.500 264 HD11 LEU 31 1HD1 LEU 31 -11.330 -0.172 -11.032 265 HD12 LEU 31 2HD1 LEU 31 -12.968 0.258 -10.542 266 HD13 LEU 31 3HD1 LEU 31 -11.585 1.017 -9.754 267 HD21 LEU 31 3HD2 LEU 31 -13.856 0.892 -12.322 268 HD22 LEU 31 1HD2 LEU 31 -13.251 2.149 -13.401 269 HD23 LEU 31 2HD2 LEU 31 -13.947 2.587 -11.841 270 H GLU 32 H GLU 32 -12.569 5.953 -10.977 271 HA GLU 32 HA GLU 32 -14.835 5.819 -12.675 272 HB2 GLU 32 2HB GLU 32 -15.588 7.837 -11.496 273 HB3 GLU 32 3HB GLU 32 -15.007 6.613 -10.375 274 HG2 GLU 32 2HG GLU 32 -12.866 7.810 -10.212 275 HG3 GLU 32 3HG GLU 32 -13.505 9.058 -11.281 276 H GLU 33 H GLU 33 -12.016 7.940 -12.552 277 HA GLU 33 HA GLU 33 -12.914 9.762 -14.531 278 HB2 GLU 33 2HB GLU 33 -10.988 9.988 -12.795 279 HB3 GLU 33 3HB GLU 33 -10.011 9.194 -14.023 280 HG2 GLU 33 2HG GLU 33 -9.629 11.419 -14.453 281 HG3 GLU 33 3HG GLU 33 -10.917 11.036 -15.593 282 H SER 34 H SER 34 -11.131 6.741 -14.644 283 HA SER 34 HA SER 34 -10.250 6.904 -17.315 284 HB2 SER 34 2HB SER 34 -9.712 4.600 -17.132 285 HB3 SER 34 3HB SER 34 -9.497 5.257 -15.509 286 HG SER 34 HG SER 34 -10.686 3.455 -15.213 287 H GLU 35 H GLU 35 -13.173 5.502 -15.876 288 HA GLU 35 HA GLU 35 -14.224 4.781 -18.477 289 HB2 GLU 35 2HB GLU 35 -15.167 4.452 -15.650 290 HB3 GLU 35 3HB GLU 35 -16.291 4.230 -16.982 291 HG2 GLU 35 2HG GLU 35 -13.692 2.785 -17.038 292 HG3 GLU 35 3HG GLU 35 -14.973 2.209 -15.974 293 H GLY 36 H GLY 36 -14.053 7.584 -16.712 294 HA2 GLY 36 2HA GLY 36 -14.935 9.650 -17.403 295 HA3 GLY 36 3HA GLY 36 -16.163 8.794 -18.322 296 H ILE 37 H ILE 37 -17.212 7.144 -16.345 297 HA ILE 37 HA ILE 37 -18.118 8.969 -14.239 298 HB ILE 37 HB ILE 37 -20.471 8.076 -14.601 299 HG12 ILE 37 2HG1 ILE 37 -19.439 7.503 -17.382 300 HG13 ILE 37 3HG1 ILE 37 -19.682 6.251 -16.169 301 HG21 ILE 37 1HG2 ILE 37 -19.716 10.372 -15.153 302 HG22 ILE 37 2HG2 ILE 37 -19.351 9.822 -16.787 303 HG23 ILE 37 3HG2 ILE 37 -21.013 9.793 -16.198 304 HD11 ILE 37 3HD1 ILE 37 -21.661 7.797 -17.728 305 HD12 ILE 37 1HD1 ILE 37 -21.663 6.100 -17.251 306 HD13 ILE 37 2HD1 ILE 37 -22.093 7.346 -16.079 307 HA PRO 38 HA PRO 38 -17.804 5.481 -11.591 308 HB2 PRO 38 2HB PRO 38 -19.758 6.011 -9.783 309 HB3 PRO 38 3HB PRO 38 -18.239 6.913 -9.848 310 HG2 PRO 38 2HG PRO 38 -20.926 7.645 -10.948 311 HG3 PRO 38 3HG PRO 38 -19.758 8.659 -10.081 312 HD2 PRO 38 2HD PRO 38 -20.021 8.718 -12.775 313 HD3 PRO 38 3HD PRO 38 -18.469 9.001 -11.961 314 H GLY 39 H GLY 39 -18.551 3.427 -11.485 315 HA2 GLY 39 2HA GLY 39 -20.500 2.461 -13.185 316 HA3 GLY 39 3HA GLY 39 -19.926 1.607 -11.760 317 H ASN 40 H ASN 40 -20.842 3.232 -9.732 318 HA ASN 40 HA ASN 40 -23.458 4.136 -9.887 319 HB2 ASN 40 2HB ASN 40 -23.348 1.326 -10.147 320 HB3 ASN 40 3HB ASN 40 -23.946 1.650 -8.523 321 HD21 ASN 40 1HD2 ASN 40 -25.974 2.396 -8.252 322 HD22 ASN 40 2HD2 ASN 40 -27.082 2.693 -9.544 323 H MET 41 H MET 41 -21.981 1.783 -7.651 324 HA MET 41 HA MET 41 -22.276 3.768 -5.506 325 HB2 MET 41 2HB MET 41 -22.368 0.800 -5.606 326 HB3 MET 41 3HB MET 41 -21.694 1.530 -4.155 327 HG2 MET 41 2HG MET 41 -23.758 2.845 -3.890 328 HG3 MET 41 3HG MET 41 -24.430 2.032 -5.301 329 HE1 MET 41 3HE MET 41 -26.219 2.044 -3.401 330 HE2 MET 41 1HE MET 41 -26.617 0.467 -4.085 331 HE3 MET 41 2HE MET 41 -26.461 0.657 -2.339 332 H ILE 42 H ILE 42 -19.983 1.475 -6.923 333 HA ILE 42 HA ILE 42 -17.721 1.249 -6.724 334 HB ILE 42 HB ILE 42 -17.686 4.235 -6.324 335 HG12 ILE 42 2HG1 ILE 42 -19.202 3.759 -8.171 336 HG13 ILE 42 3HG1 ILE 42 -17.695 4.421 -8.792 337 HG21 ILE 42 1HG2 ILE 42 -15.739 2.164 -7.154 338 HG22 ILE 42 2HG2 ILE 42 -15.659 3.721 -7.978 339 HG23 ILE 42 3HG2 ILE 42 -15.497 3.643 -6.223 340 HD11 ILE 42 3HD1 ILE 42 -17.424 2.659 -10.092 341 HD12 ILE 42 1HD1 ILE 42 -17.506 1.576 -8.703 342 HD13 ILE 42 2HD1 ILE 42 -18.984 2.048 -9.544 343 H ARG 43 H ARG 43 -18.713 0.475 -4.426 344 HA ARG 43 HA ARG 43 -17.028 1.779 -2.391 345 HB2 ARG 43 2HB ARG 43 -19.817 1.507 -2.361 346 HB3 ARG 43 3HB ARG 43 -19.223 0.280 -1.251 347 HG2 ARG 43 2HG ARG 43 -17.989 1.979 -0.015 348 HG3 ARG 43 3HG ARG 43 -18.559 3.214 -1.138 349 HD2 ARG 43 2HD ARG 43 -20.544 1.490 0.271 350 HD3 ARG 43 3HD ARG 43 -19.779 2.814 1.148 351 HE ARG 43 HE ARG 43 -20.702 3.860 -1.248 352 HH11 ARG 43 1HH1 ARG 43 -22.030 2.368 1.604 353 HH12 ARG 43 2HH1 ARG 43 -23.537 3.216 1.505 354 HH21 ARG 43 1HH2 ARG 43 -22.683 4.983 -1.389 355 HH22 ARG 43 2HH2 ARG 43 -23.908 4.703 -0.199 356 H LEU 44 H LEU 44 -15.508 0.516 -1.552 357 HA LEU 44 HA LEU 44 -15.726 -2.388 -1.950 358 HB2 LEU 44 2HB LEU 44 -13.287 -2.423 -1.641 359 HB3 LEU 44 3HB LEU 44 -13.792 -1.422 -3.000 360 HG LEU 44 HG LEU 44 -13.306 -0.084 -0.389 361 HD11 LEU 44 1HD1 LEU 44 -11.225 -1.415 -2.055 362 HD12 LEU 44 2HD1 LEU 44 -11.328 -1.242 -0.303 363 HD13 LEU 44 3HD1 LEU 44 -10.863 0.137 -1.300 364 HD21 LEU 44 3HD2 LEU 44 -12.122 1.151 -2.667 365 HD22 LEU 44 1HD2 LEU 44 -13.480 1.705 -1.686 366 HD23 LEU 44 2HD2 LEU 44 -13.766 0.660 -3.078 367 H VAL 45 H VAL 45 -14.983 -3.803 -0.253 368 HA VAL 45 HA VAL 45 -15.364 -2.633 2.426 369 HB VAL 45 HB VAL 45 -15.862 -5.503 1.630 370 HG11 VAL 45 1HG1 VAL 45 -16.797 -5.799 3.763 371 HG12 VAL 45 2HG1 VAL 45 -15.311 -4.889 4.044 372 HG13 VAL 45 3HG1 VAL 45 -16.870 -4.063 4.066 373 HG21 VAL 45 3HG2 VAL 45 -17.488 -3.137 1.243 374 HG22 VAL 45 1HG2 VAL 45 -17.731 -4.782 0.655 375 HG23 VAL 45 2HG2 VAL 45 -18.296 -4.328 2.263 376 H TYR 46 H TYR 46 -13.580 -2.545 3.605 377 HA TYR 46 HA TYR 46 -11.386 -4.403 3.019 378 HB2 TYR 46 2HB TYR 46 -11.342 -1.687 3.303 379 HB3 TYR 46 3HB TYR 46 -10.893 -2.210 4.922 380 HD1 TYR 46 HD1 TYR 46 -9.331 -4.645 4.336 381 HD2 TYR 46 HD2 TYR 46 -9.364 -0.865 2.384 382 HE1 TYR 46 HE1 TYR 46 -7.023 -5.024 3.576 383 HE2 TYR 46 HE2 TYR 46 -7.056 -1.234 1.618 384 HH TYR 46 HH TYR 46 -5.619 -3.710 1.231 385 H GLN 47 H GLN 47 -11.241 -6.130 4.273 386 HA GLN 47 HA GLN 47 -11.372 -7.529 6.063 387 HB2 GLN 47 2HB GLN 47 -9.960 -5.317 6.867 388 HB3 GLN 47 3HB GLN 47 -11.206 -5.427 8.103 389 HG2 GLN 47 2HG GLN 47 -10.373 -8.014 7.922 390 HG3 GLN 47 3HG GLN 47 -8.881 -7.126 7.615 391 HE21 GLN 47 1HE2 GLN 47 -7.835 -7.469 9.490 392 HE22 GLN 47 2HE2 GLN 47 -8.405 -6.954 11.037 393 H GLY 48 H GLY 48 -13.839 -6.474 5.046 394 HA2 GLY 48 2HA GLY 48 -16.053 -6.855 5.639 395 HA3 GLY 48 3HA GLY 48 -15.531 -7.142 7.292 396 H LYS 49 H LYS 49 -14.149 -4.307 6.323 397 HA LYS 49 HA LYS 49 -16.261 -2.753 7.644 398 HB2 LYS 49 2HB LYS 49 -13.403 -2.770 7.834 399 HB3 LYS 49 3HB LYS 49 -13.924 -1.186 7.275 400 HG2 LYS 49 2HG LYS 49 -13.787 -1.144 9.657 401 HG3 LYS 49 3HG LYS 49 -15.490 -1.082 9.198 402 HD2 LYS 49 2HD LYS 49 -15.297 -2.612 11.016 403 HD3 LYS 49 3HD LYS 49 -15.578 -3.565 9.557 404 HE2 LYS 49 2HE LYS 49 -13.360 -4.295 9.467 405 HE3 LYS 49 3HE LYS 49 -12.800 -3.015 10.542 406 HZ1 LYS 49 3HZ LYS 49 -14.207 -4.128 12.298 407 HZ2 LYS 49 1HZ LYS 49 -12.815 -4.961 11.820 408 HZ3 LYS 49 2HZ LYS 49 -14.330 -5.447 11.247 409 H GLN 50 H GLN 50 -16.835 -0.668 6.818 410 HA GLN 50 HA GLN 50 -16.496 -0.479 3.900 411 HB2 GLN 50 2HB GLN 50 -18.699 0.809 5.502 412 HB3 GLN 50 3HB GLN 50 -18.631 0.553 3.764 413 HG2 GLN 50 2HG GLN 50 -18.499 -1.981 4.516 414 HG3 GLN 50 3HG GLN 50 -19.316 -1.338 5.939 415 HE21 GLN 50 1HE2 GLN 50 -20.951 0.544 4.949 416 HE22 GLN 50 2HE2 GLN 50 -22.104 -0.151 3.867 417 H LEU 51 H LEU 51 -16.434 1.693 2.979 418 HA LEU 51 HA LEU 51 -15.565 3.786 2.801 419 HB2 LEU 51 2HB LEU 51 -15.907 4.150 5.754 420 HB3 LEU 51 3HB LEU 51 -16.025 5.350 4.469 421 HG LEU 51 HG LEU 51 -18.037 3.154 4.955 422 HD11 LEU 51 1HD1 LEU 51 -19.431 5.240 5.618 423 HD12 LEU 51 2HD1 LEU 51 -17.858 5.974 5.928 424 HD13 LEU 51 3HD1 LEU 51 -18.337 4.515 6.795 425 HD21 LEU 51 3HD2 LEU 51 -18.554 3.665 2.831 426 HD22 LEU 51 1HD2 LEU 51 -17.651 5.179 2.866 427 HD23 LEU 51 2HD2 LEU 51 -19.280 5.109 3.538 428 H GLU 52 H GLU 52 -13.462 3.609 2.315 429 HA GLU 52 HA GLU 52 -11.564 3.346 4.554 430 HB2 GLU 52 2HB GLU 52 -11.131 2.368 1.728 431 HB3 GLU 52 3HB GLU 52 -10.041 2.158 3.091 432 HG2 GLU 52 2HG GLU 52 -12.821 1.020 2.999 433 HG3 GLU 52 3HG GLU 52 -11.385 0.144 2.472 434 H ASP 53 H ASP 53 -12.776 5.407 2.312 435 HA ASP 53 HA ASP 53 -10.609 6.652 1.111 436 HB2 ASP 53 2HB ASP 53 -13.322 7.118 1.241 437 HB3 ASP 53 3HB ASP 53 -12.649 8.531 2.050 438 H GLU 54 H GLU 54 -11.958 7.121 4.343 439 HA GLU 54 HA GLU 54 -10.315 9.318 5.047 440 HB2 GLU 54 2HB GLU 54 -12.411 7.875 6.232 441 HB3 GLU 54 3HB GLU 54 -11.047 7.705 7.328 442 HG2 GLU 54 2HG GLU 54 -12.174 9.601 8.076 443 HG3 GLU 54 3HG GLU 54 -10.805 10.231 7.161 444 H LYS 55 H LYS 55 -9.746 5.939 4.845 445 HA LYS 55 HA LYS 55 -7.353 6.099 6.521 446 HB2 LYS 55 2HB LYS 55 -8.958 3.845 5.370 447 HB3 LYS 55 3HB LYS 55 -7.292 3.568 5.859 448 HG2 LYS 55 2HG LYS 55 -8.523 2.957 7.726 449 HG3 LYS 55 3HG LYS 55 -7.989 4.596 8.104 450 HD2 LYS 55 2HD LYS 55 -10.085 5.405 8.100 451 HD3 LYS 55 3HD LYS 55 -10.548 4.462 6.682 452 HE2 LYS 55 2HE LYS 55 -10.380 2.474 8.439 453 HE3 LYS 55 3HE LYS 55 -10.727 3.784 9.567 454 HZ1 LYS 55 3HZ LYS 55 -12.626 2.422 8.364 455 HZ2 LYS 55 1HZ LYS 55 -12.394 3.608 7.180 456 HZ3 LYS 55 2HZ LYS 55 -12.808 4.057 8.757 457 H ARG 56 H ARG 56 -7.310 7.569 4.116 458 HA ARG 56 HA ARG 56 -6.260 6.386 1.875 459 HB2 ARG 56 2HB ARG 56 -4.840 8.624 1.805 460 HB3 ARG 56 3HB ARG 56 -6.580 8.629 1.553 461 HG2 ARG 56 2HG ARG 56 -5.790 8.887 4.354 462 HG3 ARG 56 3HG ARG 56 -5.238 10.207 3.320 463 HD2 ARG 56 2HD ARG 56 -7.795 9.919 2.469 464 HD3 ARG 56 3HD ARG 56 -7.956 9.469 4.166 465 HE ARG 56 HE ARG 56 -7.495 12.085 3.121 466 HH11 ARG 56 1HH1 ARG 56 -6.906 10.003 5.848 467 HH12 ARG 56 2HH1 ARG 56 -6.742 11.308 6.975 468 HH21 ARG 56 1HH2 ARG 56 -7.281 13.812 4.595 469 HH22 ARG 56 2HH2 ARG 56 -6.956 13.475 6.262 470 H LEU 57 H LEU 57 -4.049 8.153 4.007 471 HA LEU 57 HA LEU 57 -1.793 6.668 3.219 472 HB2 LEU 57 2HB LEU 57 -1.965 8.998 4.318 473 HB3 LEU 57 3HB LEU 57 -1.976 8.110 5.840 474 HG LEU 57 HG LEU 57 0.230 7.785 3.824 475 HD11 LEU 57 1HD1 LEU 57 1.262 9.666 4.455 476 HD12 LEU 57 2HD1 LEU 57 0.780 9.481 6.141 477 HD13 LEU 57 3HD1 LEU 57 -0.339 10.191 4.977 478 HD21 LEU 57 3HD2 LEU 57 0.845 6.218 5.276 479 HD22 LEU 57 1HD2 LEU 57 -0.414 6.692 6.416 480 HD23 LEU 57 2HD2 LEU 57 1.149 7.510 6.439 481 H LYS 58 H LYS 58 -4.043 6.312 5.890 482 HA LYS 58 HA LYS 58 -2.616 4.508 7.470 483 HB2 LYS 58 2HB LYS 58 -5.282 5.527 7.337 484 HB3 LYS 58 3HB LYS 58 -5.364 3.782 7.540 485 HG2 LYS 58 2HG LYS 58 -3.390 4.858 9.309 486 HG3 LYS 58 3HG LYS 58 -4.911 5.732 9.506 487 HD2 LYS 58 2HD LYS 58 -5.973 3.942 10.379 488 HD3 LYS 58 3HD LYS 58 -5.156 2.805 9.304 489 HE2 LYS 58 2HE LYS 58 -3.477 4.106 11.356 490 HE3 LYS 58 3HE LYS 58 -4.682 2.962 11.947 491 HZ1 LYS 58 3HZ LYS 58 -3.171 2.024 9.676 492 HZ2 LYS 58 1HZ LYS 58 -3.555 1.235 11.122 493 HZ3 LYS 58 2HZ LYS 58 -2.235 2.290 11.059 494 H ASP 59 H ASP 59 -4.244 4.065 4.447 495 HA ASP 59 HA ASP 59 -4.345 1.185 4.648 496 HB2 ASP 59 2HB ASP 59 -5.210 3.233 2.692 497 HB3 ASP 59 3HB ASP 59 -4.778 1.662 2.023 498 H TYR 60 H TYR 60 -2.037 3.521 3.770 499 HA TYR 60 HA TYR 60 -0.582 1.948 1.872 500 HB2 TYR 60 2HB TYR 60 -0.413 4.380 1.843 501 HB3 TYR 60 3HB TYR 60 0.242 4.377 3.477 502 HD1 TYR 60 HD2 TYR 60 0.948 3.600 -0.046 503 HD2 TYR 60 HD1 TYR 60 2.547 3.823 3.890 504 HE1 TYR 60 HE2 TYR 60 3.222 3.429 -0.967 505 HE2 TYR 60 HE1 TYR 60 4.826 3.654 2.981 506 HH TYR 60 HH TYR 60 6.073 3.625 1.132 507 H GLN 61 H GLN 61 -0.738 2.115 5.303 508 HA GLN 61 HA GLN 61 1.858 1.015 5.816 509 HB2 GLN 61 2HB GLN 61 0.452 2.418 7.417 510 HB3 GLN 61 3HB GLN 61 -0.500 0.965 7.693 511 HG2 GLN 61 2HG GLN 61 1.160 -0.074 8.855 512 HG3 GLN 61 3HG GLN 61 2.445 0.782 8.005 513 HE21 GLN 61 1HE2 GLN 61 -0.372 1.757 9.935 514 HE22 GLN 61 2HE2 GLN 61 0.505 2.796 11.001 515 H MET 62 H MET 62 -0.896 -0.286 4.514 516 HA MET 62 HA MET 62 -0.739 -2.885 5.768 517 HB2 MET 62 2HB MET 62 -2.272 -2.200 3.266 518 HB3 MET 62 3HB MET 62 -2.593 -3.491 4.417 519 HG2 MET 62 2HG MET 62 -2.907 -0.541 4.922 520 HG3 MET 62 3HG MET 62 -4.206 -1.699 4.643 521 HE1 MET 62 3HE MET 62 -5.471 -2.461 7.575 522 HE2 MET 62 1HE MET 62 -5.061 -0.779 7.910 523 HE3 MET 62 2HE MET 62 -5.500 -1.270 6.274 524 H SER 63 H SER 63 -0.583 -1.934 2.334 525 HA SER 63 HA SER 63 0.612 -2.761 0.583 526 HB2 SER 63 2HB SER 63 2.756 -3.555 2.544 527 HB3 SER 63 3HB SER 63 2.939 -2.998 0.881 528 HG SER 63 HG SER 63 3.044 -1.548 3.064 529 H ALA 64 H ALA 64 -1.116 -4.563 2.224 530 HA ALA 64 HA ALA 64 -0.707 -6.941 0.811 531 HB1 ALA 64 1HB ALA 64 -0.105 -8.385 2.843 532 HB2 ALA 64 2HB ALA 64 1.188 -7.470 2.066 533 HB3 ALA 64 3HB ALA 64 0.472 -6.884 3.568 534 H GLY 65 H GLY 65 -2.886 -5.316 1.362 535 HA2 GLY 65 2HA GLY 65 -4.532 -7.068 3.084 536 HA3 GLY 65 3HA GLY 65 -4.780 -5.332 2.968 537 H ALA 66 H ALA 66 -6.028 -8.184 2.040 538 HA ALA 66 HA ALA 66 -6.597 -7.873 -0.693 539 HB1 ALA 66 1HB ALA 66 -8.241 -9.288 1.402 540 HB2 ALA 66 2HB ALA 66 -8.354 -9.517 -0.344 541 HB3 ALA 66 3HB ALA 66 -6.886 -9.986 0.514 542 H THR 67 H THR 67 -8.111 -6.757 -1.791 543 HA THR 67 HA THR 67 -10.076 -5.215 -0.226 544 HB THR 67 HB THR 67 -9.622 -3.843 -2.650 545 HG1 THR 67 HG1 THR 67 -7.157 -4.120 -1.291 546 HG21 THR 67 3HG2 THR 67 -9.128 -2.019 -1.250 547 HG22 THR 67 1HG2 THR 67 -8.487 -3.057 0.022 548 HG23 THR 67 2HG2 THR 67 -10.221 -3.024 -0.300 549 H PHE 68 H PHE 68 -12.141 -5.104 -1.000 550 HA PHE 68 HA PHE 68 -12.704 -6.470 -3.544 551 HB2 PHE 68 2HB PHE 68 -13.339 -8.098 -1.974 552 HB3 PHE 68 3HB PHE 68 -13.987 -6.899 -0.859 553 HD1 PHE 68 HD1 PHE 68 -14.553 -8.032 -4.372 554 HD2 PHE 68 HD2 PHE 68 -16.265 -6.799 -0.675 555 HE1 PHE 68 HE1 PHE 68 -16.803 -8.398 -5.296 556 HE2 PHE 68 HE2 PHE 68 -18.518 -7.163 -1.593 557 HZ PHE 68 HZ PHE 68 -18.790 -7.965 -3.906 558 H HIS 69 H HIS 69 -13.542 -5.024 -4.884 559 HA HIS 69 HA HIS 69 -15.014 -2.736 -3.849 560 HB2 HIS 69 2HB HIS 69 -14.002 -3.451 -6.601 561 HB3 HIS 69 3HB HIS 69 -14.995 -2.032 -6.286 562 HD1 HIS 69 HD1 HIS 69 -13.371 -0.166 -6.588 563 HD2 HIS 69 HD2 HIS 69 -11.873 -3.179 -4.151 564 HE1 HIS 69 HE1 HIS 69 -11.191 0.714 -5.695 565 H MET 70 H MET 70 -17.141 -2.254 -4.339 566 HA MET 70 HA MET 70 -18.684 -4.374 -5.678 567 HB2 MET 70 2HB MET 70 -19.071 -4.622 -3.314 568 HB3 MET 70 3HB MET 70 -19.383 -2.901 -3.136 569 HG2 MET 70 2HG MET 70 -21.511 -3.091 -3.789 570 HG3 MET 70 3HG MET 70 -21.120 -4.238 -5.068 571 HE1 MET 70 3HE MET 70 -23.887 -4.661 -2.790 572 HE2 MET 70 1HE MET 70 -23.448 -4.919 -4.478 573 HE3 MET 70 2HE MET 70 -23.755 -6.301 -3.427 574 H VAL 71 H VAL 71 -19.978 -3.685 -7.260 575 HA VAL 71 HA VAL 71 -20.874 -0.892 -7.267 576 HB VAL 71 HB VAL 71 -18.962 -0.827 -8.703 577 HG11 VAL 71 1HG1 VAL 71 -19.735 -3.502 -9.331 578 HG12 VAL 71 2HG1 VAL 71 -19.601 -2.574 -10.826 579 HG13 VAL 71 3HG1 VAL 71 -18.233 -2.662 -9.716 580 HG21 VAL 71 3HG2 VAL 71 -19.963 -0.165 -10.817 581 HG22 VAL 71 1HG2 VAL 71 -21.442 -1.036 -10.409 582 HG23 VAL 71 2HG2 VAL 71 -20.964 0.378 -9.470 583 H VAL 72 H VAL 72 -23.018 -1.036 -7.220 584 HA VAL 72 HA VAL 72 -24.335 -3.144 -8.796 585 HB VAL 72 HB VAL 72 -24.960 -3.314 -6.500 586 HG11 VAL 72 1HG1 VAL 72 -24.795 -1.532 -5.183 587 HG12 VAL 72 2HG1 VAL 72 -24.768 -0.445 -6.573 588 HG13 VAL 72 3HG1 VAL 72 -26.308 -0.944 -5.872 589 HG21 VAL 72 3HG2 VAL 72 -27.239 -3.390 -6.740 590 HG22 VAL 72 1HG2 VAL 72 -27.314 -1.829 -7.559 591 HG23 VAL 72 2HG2 VAL 72 -26.750 -3.256 -8.429 592 H ALA 73 H ALA 73 -24.818 -2.372 -10.759 593 HA ALA 73 HA ALA 73 -26.198 0.229 -10.906 594 HB1 ALA 73 1HB ALA 73 -24.274 -0.967 -12.894 595 HB2 ALA 73 2HB ALA 73 -25.242 0.480 -13.180 596 HB3 ALA 73 3HB ALA 73 -24.025 0.471 -11.904 597 H LEU 74 H LEU 74 -28.288 -0.437 -10.991 598 HA LEU 74 HA LEU 74 -30.206 -1.376 -11.775 599 HB2 LEU 74 2HB LEU 74 -28.631 -1.406 -14.345 600 HB3 LEU 74 3HB LEU 74 -30.373 -1.638 -14.218 601 HG LEU 74 HG LEU 74 -30.130 0.759 -13.010 602 HD11 LEU 74 1HD1 LEU 74 -27.957 1.363 -13.263 603 HD12 LEU 74 2HD1 LEU 74 -28.575 1.943 -14.809 604 HD13 LEU 74 3HD1 LEU 74 -27.738 0.394 -14.720 605 HD21 LEU 74 3HD2 LEU 74 -30.478 1.608 -15.507 606 HD22 LEU 74 1HD2 LEU 74 -31.719 0.708 -14.634 607 HD23 LEU 74 2HD2 LEU 74 -30.675 -0.123 -15.788 608 H ARG 75 H ARG 75 -29.493 -3.241 -10.387 609 HA ARG 75 HA ARG 75 -29.325 -5.658 -12.053 610 HB2 ARG 75 2HB ARG 75 -27.348 -4.740 -10.246 611 HB3 ARG 75 3HB ARG 75 -28.118 -6.132 -9.495 612 HG2 ARG 75 2HG ARG 75 -26.373 -7.072 -10.685 613 HG3 ARG 75 3HG ARG 75 -27.751 -7.286 -11.767 614 HD2 ARG 75 2HD ARG 75 -26.503 -6.304 -13.333 615 HD3 ARG 75 3HD ARG 75 -26.771 -4.800 -12.454 616 HE ARG 75 HE ARG 75 -24.580 -4.838 -11.811 617 HH11 ARG 75 1HH1 ARG 75 -25.494 -8.021 -12.886 618 HH12 ARG 75 2HH1 ARG 75 -23.884 -8.656 -12.793 619 HH21 ARG 75 1HH2 ARG 75 -22.457 -5.663 -11.685 620 HH22 ARG 75 2HH2 ARG 75 -22.158 -7.314 -12.109 621 H ALA 76 H ALA 76 -29.845 -4.654 -8.666 622 HA ALA 76 HA ALA 76 -31.409 -5.251 -7.124 623 HB1 ALA 76 1HB ALA 76 -32.800 -4.877 -9.587 624 HB2 ALA 76 2HB ALA 76 -33.558 -6.194 -8.691 625 HB3 ALA 76 3HB ALA 76 -33.369 -4.609 -7.939 626 H GLY 77 H GLY 77 -33.130 -7.171 -6.683 627 HA2 GLY 77 2HA GLY 77 -33.307 -9.387 -6.113 628 HA3 GLY 77 3HA GLY 77 -32.711 -9.713 -7.734 629 H CYS 78 H CYS 78 -31.151 -8.215 -4.910 630 HA CYS 78 HA CYS 78 -29.188 -8.664 -3.854 631 HB2 CYS 78 2HB CYS 78 -30.346 -11.349 -4.410 632 HB3 CYS 78 3HB CYS 78 -28.671 -11.285 -3.876 633 HG CYS 78 HG CYS 78 -30.480 -9.356 -1.932 Start of MODEL 3 1 H MET 1 H MET 1 1.420 -0.494 1.216 2 HA MET 1 HA MET 1 1.944 0.419 -1.250 3 HB2 MET 1 2HB MET 1 3.531 -0.691 0.445 4 HB3 MET 1 3HB MET 1 3.161 -2.194 -0.388 5 HG2 MET 1 2HG MET 1 4.089 -1.390 -2.422 6 HG3 MET 1 3HG MET 1 4.236 0.243 -1.777 7 HE1 MET 1 3HE MET 1 6.633 -2.680 -2.683 8 HE2 MET 1 1HE MET 1 6.307 -1.064 -3.308 9 HE3 MET 1 2HE MET 1 7.806 -1.385 -2.438 10 H LEU 2 H LEU 2 1.481 -3.088 -0.795 11 HA LEU 2 HA LEU 2 0.404 -3.206 -3.529 12 HB2 LEU 2 2HB LEU 2 2.335 -4.562 -3.334 13 HB3 LEU 2 3HB LEU 2 1.782 -5.250 -1.808 14 HG LEU 2 HG LEU 2 -0.073 -5.816 -3.957 15 HD11 LEU 2 1HD1 LEU 2 1.684 -7.569 -4.867 16 HD12 LEU 2 2HD1 LEU 2 2.820 -6.296 -4.421 17 HD13 LEU 2 3HD1 LEU 2 1.527 -5.960 -5.571 18 HD21 LEU 2 3HD2 LEU 2 1.545 -7.435 -2.002 19 HD22 LEU 2 1HD2 LEU 2 0.425 -8.155 -3.160 20 HD23 LEU 2 2HD2 LEU 2 -0.173 -7.040 -1.931 21 H LEU 3 H LEU 3 -1.695 -3.561 -3.771 22 HA LEU 3 HA LEU 3 -3.125 -5.159 -1.777 23 HB2 LEU 3 2HB LEU 3 -4.761 -3.602 -1.357 24 HB3 LEU 3 3HB LEU 3 -3.320 -2.593 -1.458 25 HG LEU 3 HG LEU 3 -5.266 -2.977 -3.728 26 HD11 LEU 3 1HD1 LEU 3 -5.101 -0.453 -2.167 27 HD12 LEU 3 2HD1 LEU 3 -6.030 -1.795 -1.501 28 HD13 LEU 3 3HD1 LEU 3 -6.447 -1.134 -3.082 29 HD21 LEU 3 3HD2 LEU 3 -2.665 -1.801 -3.513 30 HD22 LEU 3 1HD2 LEU 3 -3.853 -0.551 -3.882 31 HD23 LEU 3 2HD2 LEU 3 -3.702 -1.961 -4.931 32 H LYS 4 H LYS 4 -4.958 -6.235 -2.556 33 HA LYS 4 HA LYS 4 -5.147 -6.318 -5.493 34 HB2 LYS 4 2HB LYS 4 -4.422 -8.435 -4.683 35 HB3 LYS 4 3HB LYS 4 -5.621 -8.433 -3.397 36 HG2 LYS 4 2HG LYS 4 -7.403 -8.658 -5.046 37 HG3 LYS 4 3HG LYS 4 -6.207 -8.643 -6.344 38 HD2 LYS 4 2HD LYS 4 -6.039 -10.651 -4.125 39 HD3 LYS 4 3HD LYS 4 -7.110 -10.916 -5.503 40 HE2 LYS 4 2HE LYS 4 -5.170 -10.630 -7.011 41 HE3 LYS 4 3HE LYS 4 -4.126 -10.475 -5.599 42 HZ1 LYS 4 3HZ LYS 4 -3.900 -12.679 -5.914 43 HZ2 LYS 4 1HZ LYS 4 -5.369 -12.842 -6.736 44 HZ3 LYS 4 2HZ LYS 4 -5.350 -12.764 -5.047 45 H VAL 5 H VAL 5 -6.841 -5.196 -6.197 46 HA VAL 5 HA VAL 5 -9.290 -5.128 -4.581 47 HB VAL 5 HB VAL 5 -9.983 -3.271 -6.076 48 HG11 VAL 5 1HG1 VAL 5 -7.474 -3.132 -4.459 49 HG12 VAL 5 2HG1 VAL 5 -8.057 -1.697 -5.306 50 HG13 VAL 5 3HG1 VAL 5 -9.076 -2.487 -4.102 51 HG21 VAL 5 3HG2 VAL 5 -7.780 -4.215 -7.626 52 HG22 VAL 5 1HG2 VAL 5 -8.970 -2.978 -8.029 53 HG23 VAL 5 2HG2 VAL 5 -7.490 -2.533 -7.180 54 H LYS 6 H LYS 6 -11.002 -6.286 -5.153 55 HA LYS 6 HA LYS 6 -11.222 -7.193 -7.948 56 HB2 LYS 6 2HB LYS 6 -12.219 -9.284 -7.117 57 HB3 LYS 6 3HB LYS 6 -10.572 -9.069 -6.538 58 HG2 LYS 6 2HG LYS 6 -11.626 -8.111 -4.421 59 HG3 LYS 6 3HG LYS 6 -13.140 -8.795 -5.016 60 HD2 LYS 6 2HD LYS 6 -10.594 -10.354 -4.577 61 HD3 LYS 6 3HD LYS 6 -11.948 -10.292 -3.446 62 HE2 LYS 6 2HE LYS 6 -13.298 -11.019 -5.608 63 HE3 LYS 6 3HE LYS 6 -11.721 -11.651 -6.081 64 HZ1 LYS 6 3HZ LYS 6 -11.767 -13.224 -4.476 65 HZ2 LYS 6 1HZ LYS 6 -13.440 -13.049 -4.658 66 HZ3 LYS 6 2HZ LYS 6 -12.642 -12.273 -3.384 67 H THR 7 H THR 7 -12.996 -6.498 -8.926 68 HA THR 7 HA THR 7 -15.135 -5.302 -7.376 69 HB THR 7 HB THR 7 -15.985 -4.438 -9.424 70 HG1 THR 7 HG1 THR 7 -15.376 -5.225 -11.415 71 HG21 THR 7 3HG2 THR 7 -12.987 -4.440 -9.756 72 HG22 THR 7 1HG2 THR 7 -13.839 -3.456 -8.566 73 HG23 THR 7 2HG2 THR 7 -14.127 -3.204 -10.288 74 H VAL 8 H VAL 8 -17.435 -5.737 -8.175 75 HA VAL 8 HA VAL 8 -18.064 -8.445 -7.668 76 HB VAL 8 HB VAL 8 -19.574 -6.536 -7.147 77 HG11 VAL 8 1HG1 VAL 8 -19.157 -5.455 -9.426 78 HG12 VAL 8 2HG1 VAL 8 -20.378 -6.571 -10.040 79 HG13 VAL 8 3HG1 VAL 8 -20.800 -5.401 -8.788 80 HG21 VAL 8 3HG2 VAL 8 -20.219 -9.077 -7.704 81 HG22 VAL 8 1HG2 VAL 8 -21.404 -7.870 -7.204 82 HG23 VAL 8 2HG2 VAL 8 -21.206 -8.257 -8.913 83 H SER 9 H SER 9 -17.066 -6.893 -10.490 84 HA SER 9 HA SER 9 -18.469 -8.678 -12.304 85 HB2 SER 9 2HB SER 9 -16.847 -6.218 -12.564 86 HB3 SER 9 3HB SER 9 -16.700 -7.370 -13.892 87 HG SER 9 HG SER 9 -19.094 -7.353 -13.857 88 H ASN 10 H ASN 10 -16.185 -9.342 -10.275 89 HA ASN 10 HA ASN 10 -14.574 -10.944 -10.136 90 HB2 ASN 10 2HB ASN 10 -16.255 -11.843 -12.146 91 HB3 ASN 10 3HB ASN 10 -14.662 -11.900 -12.894 92 HD21 ASN 10 1HD2 ASN 10 -12.963 -12.716 -11.134 93 HD22 ASN 10 2HD2 ASN 10 -13.405 -14.221 -10.412 94 H LYS 11 H LYS 11 -13.942 -8.269 -10.958 95 HA LYS 11 HA LYS 11 -11.665 -8.694 -12.768 96 HB2 LYS 11 2HB LYS 11 -13.171 -6.208 -11.965 97 HB3 LYS 11 3HB LYS 11 -11.635 -6.147 -12.819 98 HG2 LYS 11 2HG LYS 11 -12.695 -7.565 -14.605 99 HG3 LYS 11 3HG LYS 11 -14.236 -7.301 -13.785 100 HD2 LYS 11 2HD LYS 11 -14.351 -5.118 -14.414 101 HD3 LYS 11 3HD LYS 11 -12.600 -4.903 -14.378 102 HE2 LYS 11 2HE LYS 11 -14.020 -6.526 -16.479 103 HE3 LYS 11 3HE LYS 11 -13.680 -4.805 -16.658 104 HZ1 LYS 11 3HZ LYS 11 -11.821 -7.074 -16.640 105 HZ2 LYS 11 1HZ LYS 11 -11.274 -5.577 -16.073 106 HZ3 LYS 11 2HZ LYS 11 -11.857 -5.720 -17.654 107 H VAL 12 H VAL 12 -10.190 -9.556 -11.313 108 HA VAL 12 HA VAL 12 -9.537 -8.027 -8.915 109 HB VAL 12 HB VAL 12 -8.435 -10.661 -9.902 110 HG11 VAL 12 1HG1 VAL 12 -7.621 -10.814 -7.506 111 HG12 VAL 12 2HG1 VAL 12 -6.763 -9.682 -8.554 112 HG13 VAL 12 3HG1 VAL 12 -7.945 -9.084 -7.389 113 HG21 VAL 12 3HG2 VAL 12 -10.194 -11.645 -8.967 114 HG22 VAL 12 1HG2 VAL 12 -9.901 -10.802 -7.445 115 HG23 VAL 12 2HG2 VAL 12 -10.899 -10.052 -8.691 116 H ILE 13 H ILE 13 -7.767 -6.791 -8.691 117 HA ILE 13 HA ILE 13 -5.696 -6.920 -10.776 118 HB ILE 13 HB ILE 13 -6.813 -4.362 -9.623 119 HG12 ILE 13 2HG1 ILE 13 -8.381 -5.443 -11.184 120 HG13 ILE 13 3HG1 ILE 13 -7.720 -3.959 -11.861 121 HG21 ILE 13 1HG2 ILE 13 -5.418 -3.414 -11.566 122 HG22 ILE 13 2HG2 ILE 13 -4.578 -3.929 -10.104 123 HG23 ILE 13 3HG2 ILE 13 -4.584 -4.967 -11.530 124 HD11 ILE 13 3HD1 ILE 13 -6.044 -6.106 -12.644 125 HD12 ILE 13 1HD1 ILE 13 -7.717 -6.560 -12.965 126 HD13 ILE 13 2HD1 ILE 13 -7.060 -5.072 -13.648 127 H GLN 14 H GLN 14 -3.808 -7.371 -9.876 128 HA GLN 14 HA GLN 14 -3.340 -6.601 -7.082 129 HB2 GLN 14 2HB GLN 14 -1.474 -8.267 -7.194 130 HB3 GLN 14 3HB GLN 14 -3.075 -8.955 -7.432 131 HG2 GLN 14 2HG GLN 14 -2.486 -9.784 -9.394 132 HG3 GLN 14 3HG GLN 14 -1.965 -8.197 -9.959 133 HE21 GLN 14 1HE2 GLN 14 -0.991 -11.229 -8.635 134 HE22 GLN 14 2HE2 GLN 14 0.713 -10.988 -8.778 135 H ILE 15 H ILE 15 -2.254 -4.773 -6.820 136 HA ILE 15 HA ILE 15 -0.119 -4.119 -8.745 137 HB ILE 15 HB ILE 15 -0.518 -1.815 -8.452 138 HG12 ILE 15 2HG1 ILE 15 -2.291 -2.611 -6.138 139 HG13 ILE 15 3HG1 ILE 15 -0.789 -1.697 -6.064 140 HG21 ILE 15 1HG2 ILE 15 -3.366 -2.497 -8.374 141 HG22 ILE 15 2HG2 ILE 15 -2.424 -1.689 -9.626 142 HG23 ILE 15 3HG2 ILE 15 -2.415 -3.448 -9.514 143 HD11 ILE 15 3HD1 ILE 15 -2.173 -0.077 -7.656 144 HD12 ILE 15 1HD1 ILE 15 -3.513 -0.819 -6.784 145 HD13 ILE 15 2HD1 ILE 15 -2.241 0.021 -5.897 146 H THR 16 H THR 16 1.775 -3.093 -7.921 147 HA THR 16 HA THR 16 2.221 -3.537 -5.041 148 HB THR 16 HB THR 16 3.414 -5.254 -6.274 149 HG1 THR 16 HG1 THR 16 4.751 -4.808 -4.676 150 HG21 THR 16 3HG2 THR 16 3.948 -4.690 -8.392 151 HG22 THR 16 1HG2 THR 16 5.442 -4.101 -7.666 152 HG23 THR 16 2HG2 THR 16 4.122 -2.980 -8.001 153 H SER 17 H SER 17 1.356 -1.112 -5.688 154 HA SER 17 HA SER 17 3.448 0.600 -4.879 155 HB2 SER 17 2HB SER 17 4.375 0.739 -6.990 156 HB3 SER 17 3HB SER 17 2.831 0.474 -7.801 157 HG SER 17 HG SER 17 3.597 2.649 -7.971 158 H LEU 18 H LEU 18 1.894 1.176 -3.354 159 HA LEU 18 HA LEU 18 -0.479 2.585 -4.363 160 HB2 LEU 18 2HB LEU 18 0.104 0.972 -1.981 161 HB3 LEU 18 3HB LEU 18 -0.826 2.436 -1.668 162 HG LEU 18 HG LEU 18 -1.599 0.217 -3.561 163 HD11 LEU 18 1HD1 LEU 18 -1.942 0.556 -0.735 164 HD12 LEU 18 2HD1 LEU 18 -2.428 -0.788 -1.768 165 HD13 LEU 18 3HD1 LEU 18 -3.508 0.588 -1.544 166 HD21 LEU 18 3HD2 LEU 18 -2.584 2.069 -4.512 167 HD22 LEU 18 1HD2 LEU 18 -2.760 2.902 -2.967 168 HD23 LEU 18 2HD2 LEU 18 -3.829 1.558 -3.371 169 H THR 19 H THR 19 -1.061 4.620 -3.468 170 HA THR 19 HA THR 19 1.224 6.299 -2.926 171 HB THR 19 HB THR 19 -1.464 7.487 -2.677 172 HG1 THR 19 HG1 THR 19 -0.573 6.238 -5.075 173 HG21 THR 19 3HG2 THR 19 0.032 9.165 -2.923 174 HG22 THR 19 1HG2 THR 19 -0.175 8.827 -4.641 175 HG23 THR 19 2HG2 THR 19 1.196 8.145 -3.766 176 H ASP 20 H ASP 20 0.717 8.139 -1.222 177 HA ASP 20 HA ASP 20 -0.182 6.834 1.263 178 HB2 ASP 20 2HB ASP 20 1.639 7.655 2.461 179 HB3 ASP 20 3HB ASP 20 2.369 7.216 0.919 180 H ASP 21 H ASP 21 -0.893 9.166 -0.887 181 HA ASP 21 HA ASP 21 -1.707 11.179 1.073 182 HB2 ASP 21 2HB ASP 21 -0.917 11.246 -1.689 183 HB3 ASP 21 3HB ASP 21 -2.526 11.944 -1.522 184 H ASN 22 H ASN 22 -3.124 9.260 -1.570 185 HA ASN 22 HA ASN 22 -5.748 9.583 -0.268 186 HB2 ASN 22 2HB ASN 22 -4.989 9.421 -3.174 187 HB3 ASN 22 3HB ASN 22 -6.616 9.012 -2.640 188 HD21 ASN 22 1HD2 ASN 22 -4.626 11.451 -3.683 189 HD22 ASN 22 2HD2 ASN 22 -5.575 12.808 -3.190 190 H THR 23 H THR 23 -3.677 7.367 -2.096 191 HA THR 23 HA THR 23 -3.530 5.096 -2.141 192 HB THR 23 HB THR 23 -4.964 5.356 0.507 193 HG1 THR 23 HG1 THR 23 -2.684 6.159 0.084 194 HG21 THR 23 3HG2 THR 23 -3.978 2.975 -0.992 195 HG22 THR 23 1HG2 THR 23 -5.400 3.148 0.035 196 HG23 THR 23 2HG2 THR 23 -3.800 3.004 0.762 197 H ILE 24 H ILE 24 -6.611 5.163 -0.411 198 HA ILE 24 HA ILE 24 -7.815 3.415 -2.336 199 HB ILE 24 HB ILE 24 -9.208 4.902 -0.111 200 HG12 ILE 24 2HG1 ILE 24 -8.817 2.386 0.849 201 HG13 ILE 24 3HG1 ILE 24 -7.328 2.627 -0.059 202 HG21 ILE 24 1HG2 ILE 24 -11.031 3.775 -0.695 203 HG22 ILE 24 2HG2 ILE 24 -10.170 3.239 -2.137 204 HG23 ILE 24 3HG2 ILE 24 -10.154 2.246 -0.681 205 HD11 ILE 24 3HD1 ILE 24 -7.836 3.445 2.524 206 HD12 ILE 24 1HD1 ILE 24 -6.501 3.971 1.498 207 HD13 ILE 24 2HD1 ILE 24 -7.984 4.923 1.573 208 H ALA 25 H ALA 25 -8.289 6.808 -1.399 209 HA ALA 25 HA ALA 25 -10.418 7.394 -3.108 210 HB1 ALA 25 1HB ALA 25 -8.946 8.791 -1.262 211 HB2 ALA 25 2HB ALA 25 -8.539 9.598 -2.777 212 HB3 ALA 25 3HB ALA 25 -10.225 9.458 -2.278 213 H GLU 26 H GLU 26 -6.937 7.399 -3.680 214 HA GLU 26 HA GLU 26 -7.050 8.590 -6.253 215 HB2 GLU 26 2HB GLU 26 -4.984 8.597 -4.991 216 HB3 GLU 26 3HB GLU 26 -4.952 6.839 -4.964 217 HG2 GLU 26 2HG GLU 26 -3.806 6.816 -6.849 218 HG3 GLU 26 3HG GLU 26 -5.110 7.671 -7.670 219 H LEU 27 H LEU 27 -7.060 5.246 -5.116 220 HA LEU 27 HA LEU 27 -6.881 4.034 -7.663 221 HB2 LEU 27 2HB LEU 27 -7.130 3.206 -4.955 222 HB3 LEU 27 3HB LEU 27 -8.367 2.378 -5.898 223 HG LEU 27 HG LEU 27 -6.448 0.965 -5.778 224 HD11 LEU 27 1HD1 LEU 27 -6.234 0.438 -8.003 225 HD12 LEU 27 2HD1 LEU 27 -6.147 2.125 -8.508 226 HD13 LEU 27 3HD1 LEU 27 -7.694 1.428 -8.027 227 HD21 LEU 27 3HD2 LEU 27 -4.304 1.633 -5.887 228 HD22 LEU 27 1HD2 LEU 27 -4.976 3.228 -5.549 229 HD23 LEU 27 2HD2 LEU 27 -4.613 2.759 -7.210 230 H LYS 28 H LYS 28 -9.667 4.722 -5.561 231 HA LYS 28 HA LYS 28 -11.621 3.730 -7.342 232 HB2 LYS 28 2HB LYS 28 -13.236 4.876 -5.935 233 HB3 LYS 28 3HB LYS 28 -12.025 4.086 -4.933 234 HG2 LYS 28 2HG LYS 28 -10.868 6.259 -4.691 235 HG3 LYS 28 3HG LYS 28 -12.178 7.019 -5.598 236 HD2 LYS 28 2HD LYS 28 -12.542 5.474 -3.032 237 HD3 LYS 28 3HD LYS 28 -12.416 7.232 -3.133 238 HE2 LYS 28 2HE LYS 28 -14.615 7.299 -3.450 239 HE3 LYS 28 3HE LYS 28 -14.360 6.515 -5.008 240 HZ1 LYS 28 3HZ LYS 28 -15.967 5.327 -3.629 241 HZ2 LYS 28 1HZ LYS 28 -14.791 5.097 -2.434 242 HZ3 LYS 28 2HZ LYS 28 -14.608 4.373 -3.952 243 H GLY 29 H GLY 29 -10.210 6.935 -6.877 244 HA2 GLY 29 2HA GLY 29 -11.967 8.312 -8.627 245 HA3 GLY 29 3HA GLY 29 -10.385 8.871 -8.102 246 H LYS 30 H LYS 30 -8.965 6.562 -9.143 247 HA LYS 30 HA LYS 30 -8.543 7.505 -11.800 248 HB2 LYS 30 2HB LYS 30 -7.415 5.285 -10.134 249 HB3 LYS 30 3HB LYS 30 -7.080 5.332 -11.860 250 HG2 LYS 30 2HG LYS 30 -6.621 7.816 -10.311 251 HG3 LYS 30 3HG LYS 30 -5.496 6.478 -10.072 252 HD2 LYS 30 2HD LYS 30 -5.125 6.388 -12.508 253 HD3 LYS 30 3HD LYS 30 -6.205 7.770 -12.707 254 HE2 LYS 30 2HE LYS 30 -4.718 9.237 -11.694 255 HE3 LYS 30 3HE LYS 30 -3.849 7.943 -10.870 256 HZ1 LYS 30 3HZ LYS 30 -2.871 7.269 -12.925 257 HZ2 LYS 30 1HZ LYS 30 -2.621 8.934 -12.755 258 HZ3 LYS 30 2HZ LYS 30 -3.814 8.361 -13.809 259 H LEU 31 H LEU 31 -10.212 4.755 -10.386 260 HA LEU 31 HA LEU 31 -10.636 3.351 -12.817 261 HB2 LEU 31 2HB LEU 31 -10.835 2.566 -10.346 262 HB3 LEU 31 3HB LEU 31 -12.488 3.163 -10.476 263 HG LEU 31 HG LEU 31 -11.724 1.363 -12.649 264 HD11 LEU 31 1HD1 LEU 31 -11.590 -0.646 -11.421 265 HD12 LEU 31 2HD1 LEU 31 -11.992 0.162 -9.906 266 HD13 LEU 31 3HD1 LEU 31 -10.433 0.457 -10.675 267 HD21 LEU 31 3HD2 LEU 31 -13.913 0.853 -12.582 268 HD22 LEU 31 1HD2 LEU 31 -14.031 2.306 -11.589 269 HD23 LEU 31 2HD2 LEU 31 -13.936 0.721 -10.823 270 H GLU 32 H GLU 32 -12.592 5.652 -10.963 271 HA GLU 32 HA GLU 32 -14.863 5.523 -12.655 272 HB2 GLU 32 2HB GLU 32 -15.556 7.607 -11.520 273 HB3 GLU 32 3HB GLU 32 -15.062 6.355 -10.389 274 HG2 GLU 32 2HG GLU 32 -12.871 7.443 -10.171 275 HG3 GLU 32 3HG GLU 32 -13.415 8.719 -11.257 276 H GLU 33 H GLU 33 -12.016 7.609 -12.567 277 HA GLU 33 HA GLU 33 -12.890 9.405 -14.580 278 HB2 GLU 33 2HB GLU 33 -10.983 9.677 -12.852 279 HB3 GLU 33 3HB GLU 33 -10.000 8.801 -14.018 280 HG2 GLU 33 2HG GLU 33 -9.539 10.826 -14.829 281 HG3 GLU 33 3HG GLU 33 -11.120 10.699 -15.598 282 H SER 34 H SER 34 -11.147 6.361 -14.634 283 HA SER 34 HA SER 34 -10.250 6.464 -17.302 284 HB2 SER 34 2HB SER 34 -9.375 4.852 -15.659 285 HB3 SER 34 3HB SER 34 -10.939 4.037 -15.626 286 HG SER 34 HG SER 34 -8.987 4.079 -17.634 287 H GLU 35 H GLU 35 -13.200 5.123 -15.857 288 HA GLU 35 HA GLU 35 -14.248 4.370 -18.448 289 HB2 GLU 35 2HB GLU 35 -15.218 4.130 -15.621 290 HB3 GLU 35 3HB GLU 35 -16.337 3.898 -16.956 291 HG2 GLU 35 2HG GLU 35 -13.771 2.401 -16.981 292 HG3 GLU 35 3HG GLU 35 -15.046 1.882 -15.879 293 H GLY 36 H GLY 36 -14.035 7.213 -16.753 294 HA2 GLY 36 2HA GLY 36 -14.870 9.277 -17.503 295 HA3 GLY 36 3HA GLY 36 -16.109 8.422 -18.409 296 H ILE 37 H ILE 37 -17.204 6.844 -16.399 297 HA ILE 37 HA ILE 37 -18.089 8.741 -14.347 298 HB ILE 37 HB ILE 37 -20.456 7.883 -14.704 299 HG12 ILE 37 2HG1 ILE 37 -19.795 7.403 -17.552 300 HG13 ILE 37 3HG1 ILE 37 -19.334 6.131 -16.426 301 HG21 ILE 37 1HG2 ILE 37 -20.976 9.661 -16.102 302 HG22 ILE 37 2HG2 ILE 37 -19.418 10.132 -15.426 303 HG23 ILE 37 3HG2 ILE 37 -19.506 9.469 -17.058 304 HD11 ILE 37 3HD1 ILE 37 -22.004 7.018 -17.302 305 HD12 ILE 37 1HD1 ILE 37 -21.414 5.407 -16.894 306 HD13 ILE 37 2HD1 ILE 37 -21.844 6.539 -15.612 307 HA PRO 38 HA PRO 38 -17.860 5.318 -11.607 308 HB2 PRO 38 2HB PRO 38 -19.816 5.933 -9.827 309 HB3 PRO 38 3HB PRO 38 -18.280 6.804 -9.905 310 HG2 PRO 38 2HG PRO 38 -20.944 7.557 -11.044 311 HG3 PRO 38 3HG PRO 38 -19.763 8.571 -10.195 312 HD2 PRO 38 2HD PRO 38 -20.007 8.564 -12.892 313 HD3 PRO 38 3HD PRO 38 -18.455 8.839 -12.074 314 H GLY 39 H GLY 39 -18.642 3.282 -11.463 315 HA2 GLY 39 2HA GLY 39 -20.605 2.314 -13.147 316 HA3 GLY 39 3HA GLY 39 -20.046 1.480 -11.704 317 H ASN 40 H ASN 40 -20.936 3.156 -9.709 318 HA ASN 40 HA ASN 40 -23.536 4.103 -9.885 319 HB2 ASN 40 2HB ASN 40 -23.511 1.317 -10.149 320 HB3 ASN 40 3HB ASN 40 -24.008 1.610 -8.485 321 HD21 ASN 40 1HD2 ASN 40 -24.646 2.769 -11.774 322 HD22 ASN 40 2HD2 ASN 40 -26.349 2.961 -11.559 323 H MET 41 H MET 41 -22.097 1.770 -7.603 324 HA MET 41 HA MET 41 -22.359 3.803 -5.497 325 HB2 MET 41 2HB MET 41 -22.496 0.833 -5.534 326 HB3 MET 41 3HB MET 41 -21.827 1.589 -4.095 327 HG2 MET 41 2HG MET 41 -23.885 2.954 -3.915 328 HG3 MET 41 3HG MET 41 -24.552 2.059 -5.278 329 HE1 MET 41 3HE MET 41 -26.351 2.132 -2.935 330 HE2 MET 41 1HE MET 41 -26.105 1.002 -1.602 331 HE3 MET 41 2HE MET 41 -25.075 2.426 -1.753 332 H ILE 42 H ILE 42 -20.109 1.439 -6.867 333 HA ILE 42 HA ILE 42 -17.851 1.180 -6.672 334 HB ILE 42 HB ILE 42 -17.765 4.168 -6.298 335 HG12 ILE 42 2HG1 ILE 42 -19.282 3.699 -8.146 336 HG13 ILE 42 3HG1 ILE 42 -17.761 4.331 -8.767 337 HG21 ILE 42 1HG2 ILE 42 -15.845 2.058 -7.052 338 HG22 ILE 42 2HG2 ILE 42 -15.747 3.565 -7.961 339 HG23 ILE 42 3HG2 ILE 42 -15.584 3.582 -6.205 340 HD11 ILE 42 3HD1 ILE 42 -19.088 1.972 -9.501 341 HD12 ILE 42 1HD1 ILE 42 -17.515 2.551 -10.050 342 HD13 ILE 42 2HD1 ILE 42 -17.623 1.483 -8.650 343 H ARG 43 H ARG 43 -18.846 0.433 -4.373 344 HA ARG 43 HA ARG 43 -17.175 1.752 -2.334 345 HB2 ARG 43 2HB ARG 43 -19.881 0.447 -2.017 346 HB3 ARG 43 3HB ARG 43 -18.858 0.919 -0.666 347 HG2 ARG 43 2HG ARG 43 -19.029 3.192 -2.266 348 HG3 ARG 43 3HG ARG 43 -20.656 2.510 -2.253 349 HD2 ARG 43 2HD ARG 43 -19.018 2.985 0.230 350 HD3 ARG 43 3HD ARG 43 -20.172 4.150 -0.417 351 HE ARG 43 HE ARG 43 -21.303 1.548 0.010 352 HH11 ARG 43 1HH1 ARG 43 -20.511 4.592 1.502 353 HH12 ARG 43 2HH1 ARG 43 -21.706 4.441 2.748 354 HH21 ARG 43 1HH2 ARG 43 -22.879 1.337 1.646 355 HH22 ARG 43 2HH2 ARG 43 -23.051 2.588 2.829 356 H LEU 44 H LEU 44 -15.621 0.521 -1.515 357 HA LEU 44 HA LEU 44 -15.784 -2.388 -1.906 358 HB2 LEU 44 2HB LEU 44 -13.334 -2.360 -1.583 359 HB3 LEU 44 3HB LEU 44 -13.874 -1.417 -2.971 360 HG LEU 44 HG LEU 44 -13.418 0.014 -0.403 361 HD11 LEU 44 1HD1 LEU 44 -11.431 -1.209 -0.360 362 HD12 LEU 44 2HD1 LEU 44 -10.997 0.287 -1.186 363 HD13 LEU 44 3HD1 LEU 44 -11.269 -1.186 -2.116 364 HD21 LEU 44 3HD2 LEU 44 -12.270 1.337 -2.566 365 HD22 LEU 44 1HD2 LEU 44 -13.826 1.684 -1.812 366 HD23 LEU 44 2HD2 LEU 44 -13.743 0.611 -3.210 367 H VAL 45 H VAL 45 -15.007 -3.786 -0.211 368 HA VAL 45 HA VAL 45 -15.375 -2.614 2.469 369 HB VAL 45 HB VAL 45 -15.874 -5.488 1.691 370 HG11 VAL 45 1HG1 VAL 45 -15.377 -4.544 4.145 371 HG12 VAL 45 2HG1 VAL 45 -17.114 -4.240 4.068 372 HG13 VAL 45 3HG1 VAL 45 -16.492 -5.875 3.836 373 HG21 VAL 45 3HG2 VAL 45 -17.472 -4.153 0.506 374 HG22 VAL 45 1HG2 VAL 45 -18.287 -4.884 1.889 375 HG23 VAL 45 2HG2 VAL 45 -17.806 -3.188 1.944 376 H TYR 46 H TYR 46 -13.579 -2.522 3.630 377 HA TYR 46 HA TYR 46 -11.391 -4.382 3.026 378 HB2 TYR 46 2HB TYR 46 -11.337 -1.668 3.283 379 HB3 TYR 46 3HB TYR 46 -10.880 -2.172 4.906 380 HD1 TYR 46 HD1 TYR 46 -9.340 -4.634 4.306 381 HD2 TYR 46 HD2 TYR 46 -9.348 -0.841 2.378 382 HE1 TYR 46 HE1 TYR 46 -7.036 -5.026 3.538 383 HE2 TYR 46 HE2 TYR 46 -7.045 -1.224 1.603 384 HH TYR 46 HH TYR 46 -5.592 -3.363 1.133 385 H GLN 47 H GLN 47 -11.231 -6.100 4.291 386 HA GLN 47 HA GLN 47 -11.342 -7.486 6.093 387 HB2 GLN 47 2HB GLN 47 -9.918 -5.269 6.862 388 HB3 GLN 47 3HB GLN 47 -11.147 -5.371 8.116 389 HG2 GLN 47 2HG GLN 47 -9.677 -6.740 9.100 390 HG3 GLN 47 3HG GLN 47 -10.356 -7.944 8.006 391 HE21 GLN 47 1HE2 GLN 47 -7.839 -5.450 8.117 392 HE22 GLN 47 2HE2 GLN 47 -6.668 -6.347 7.220 393 H GLY 48 H GLY 48 -13.821 -6.435 5.099 394 HA2 GLY 48 2HA GLY 48 -16.027 -6.809 5.723 395 HA3 GLY 48 3HA GLY 48 -15.484 -7.083 7.372 396 H LYS 49 H LYS 49 -14.111 -4.259 6.366 397 HA LYS 49 HA LYS 49 -16.206 -2.691 7.697 398 HB2 LYS 49 2HB LYS 49 -13.355 -2.721 7.879 399 HB3 LYS 49 3HB LYS 49 -13.856 -1.144 7.282 400 HG2 LYS 49 2HG LYS 49 -13.682 -1.133 9.696 401 HG3 LYS 49 3HG LYS 49 -15.358 -0.897 9.195 402 HD2 LYS 49 2HD LYS 49 -15.322 -2.437 11.037 403 HD3 LYS 49 3HD LYS 49 -15.747 -3.327 9.572 404 HE2 LYS 49 2HE LYS 49 -13.484 -4.157 9.378 405 HE3 LYS 49 3HE LYS 49 -12.978 -3.185 10.760 406 HZ1 LYS 49 3HZ LYS 49 -13.313 -5.265 11.671 407 HZ2 LYS 49 1HZ LYS 49 -14.671 -5.597 10.717 408 HZ3 LYS 49 2HZ LYS 49 -14.786 -4.501 12.000 409 H GLN 50 H GLN 50 -16.770 -0.601 6.864 410 HA GLN 50 HA GLN 50 -16.461 -0.435 3.941 411 HB2 GLN 50 2HB GLN 50 -18.652 0.868 5.547 412 HB3 GLN 50 3HB GLN 50 -18.598 0.588 3.812 413 HG2 GLN 50 2HG GLN 50 -19.910 -1.156 4.278 414 HG3 GLN 50 3HG GLN 50 -18.405 -1.945 4.745 415 HE21 GLN 50 1HE2 GLN 50 -21.290 -2.094 5.670 416 HE22 GLN 50 2HE2 GLN 50 -21.183 -1.965 7.390 417 H LEU 51 H LEU 51 -16.396 1.726 3.005 418 HA LEU 51 HA LEU 51 -15.524 3.816 2.807 419 HB2 LEU 51 2HB LEU 51 -15.890 4.189 5.758 420 HB3 LEU 51 3HB LEU 51 -15.964 5.397 4.476 421 HG LEU 51 HG LEU 51 -18.023 3.245 4.965 422 HD11 LEU 51 1HD1 LEU 51 -17.826 6.108 5.803 423 HD12 LEU 51 2HD1 LEU 51 -18.325 4.699 6.738 424 HD13 LEU 51 3HD1 LEU 51 -19.400 5.368 5.510 425 HD21 LEU 51 3HD2 LEU 51 -18.450 3.669 2.795 426 HD22 LEU 51 1HD2 LEU 51 -17.569 5.197 2.810 427 HD23 LEU 51 2HD2 LEU 51 -19.217 5.124 3.434 428 H GLU 52 H GLU 52 -13.420 3.622 2.324 429 HA GLU 52 HA GLU 52 -11.525 3.402 4.570 430 HB2 GLU 52 2HB GLU 52 -11.014 2.386 1.775 431 HB3 GLU 52 3HB GLU 52 -10.031 2.121 3.208 432 HG2 GLU 52 2HG GLU 52 -12.839 1.096 2.893 433 HG3 GLU 52 3HG GLU 52 -11.398 0.165 2.489 434 H ASP 53 H ASP 53 -12.718 5.386 2.231 435 HA ASP 53 HA ASP 53 -10.532 6.595 1.028 436 HB2 ASP 53 2HB ASP 53 -13.239 7.048 1.060 437 HB3 ASP 53 3HB ASP 53 -12.619 8.480 1.875 438 H GLU 54 H GLU 54 -11.939 7.168 4.218 439 HA GLU 54 HA GLU 54 -10.323 9.399 4.874 440 HB2 GLU 54 2HB GLU 54 -12.429 7.982 6.073 441 HB3 GLU 54 3HB GLU 54 -11.082 7.855 7.195 442 HG2 GLU 54 2HG GLU 54 -12.230 9.766 7.865 443 HG3 GLU 54 3HG GLU 54 -10.850 10.376 6.953 444 H LYS 55 H LYS 55 -9.724 6.021 4.791 445 HA LYS 55 HA LYS 55 -7.361 6.255 6.501 446 HB2 LYS 55 2HB LYS 55 -8.929 3.953 5.395 447 HB3 LYS 55 3HB LYS 55 -7.268 3.704 5.917 448 HG2 LYS 55 2HG LYS 55 -8.497 3.146 7.793 449 HG3 LYS 55 3HG LYS 55 -8.026 4.816 8.115 450 HD2 LYS 55 2HD LYS 55 -10.149 5.542 8.065 451 HD3 LYS 55 3HD LYS 55 -10.546 4.562 6.652 452 HE2 LYS 55 2HE LYS 55 -11.258 2.800 7.905 453 HE3 LYS 55 3HE LYS 55 -10.131 3.138 9.218 454 HZ1 LYS 55 3HZ LYS 55 -11.828 5.275 9.217 455 HZ2 LYS 55 1HZ LYS 55 -11.874 3.967 10.289 456 HZ3 LYS 55 2HZ LYS 55 -12.848 3.962 8.906 457 H ARG 56 H ARG 56 -7.294 7.647 4.049 458 HA ARG 56 HA ARG 56 -6.194 6.405 1.865 459 HB2 ARG 56 2HB ARG 56 -4.792 8.652 1.748 460 HB3 ARG 56 3HB ARG 56 -6.528 8.633 1.467 461 HG2 ARG 56 2HG ARG 56 -5.786 8.987 4.271 462 HG3 ARG 56 3HG ARG 56 -5.230 10.278 3.204 463 HD2 ARG 56 2HD ARG 56 -7.770 9.938 2.324 464 HD3 ARG 56 3HD ARG 56 -7.954 9.541 4.032 465 HE ARG 56 HE ARG 56 -6.531 11.868 4.027 466 HH11 ARG 56 1HH1 ARG 56 -9.572 10.844 2.676 467 HH12 ARG 56 2HH1 ARG 56 -10.294 12.416 2.776 468 HH21 ARG 56 1HH2 ARG 56 -7.471 13.942 4.164 469 HH22 ARG 56 2HH2 ARG 56 -9.098 14.177 3.622 470 H LEU 57 H LEU 57 -4.030 8.263 3.964 471 HA LEU 57 HA LEU 57 -1.748 6.779 3.263 472 HB2 LEU 57 2HB LEU 57 -1.980 9.135 4.312 473 HB3 LEU 57 3HB LEU 57 -1.977 8.272 5.848 474 HG LEU 57 HG LEU 57 0.239 7.930 3.851 475 HD11 LEU 57 1HD1 LEU 57 0.568 9.801 6.127 476 HD12 LEU 57 2HD1 LEU 57 -0.308 10.380 4.710 477 HD13 LEU 57 3HD1 LEU 57 1.345 9.790 4.544 478 HD21 LEU 57 3HD2 LEU 57 0.651 6.341 5.397 479 HD22 LEU 57 1HD2 LEU 57 -0.321 7.138 6.634 480 HD23 LEU 57 2HD2 LEU 57 1.319 7.697 6.306 481 H LYS 58 H LYS 58 -4.044 6.463 5.899 482 HA LYS 58 HA LYS 58 -2.626 4.718 7.552 483 HB2 LYS 58 2HB LYS 58 -5.300 5.703 7.345 484 HB3 LYS 58 3HB LYS 58 -5.368 3.962 7.588 485 HG2 LYS 58 2HG LYS 58 -3.439 5.109 9.366 486 HG3 LYS 58 3HG LYS 58 -4.980 5.958 9.516 487 HD2 LYS 58 2HD LYS 58 -6.134 3.878 9.927 488 HD3 LYS 58 3HD LYS 58 -4.655 2.960 9.633 489 HE2 LYS 58 2HE LYS 58 -3.769 4.579 11.564 490 HE3 LYS 58 3HE LYS 58 -5.478 4.549 11.996 491 HZ1 LYS 58 3HZ LYS 58 -3.548 2.621 12.541 492 HZ2 LYS 58 1HZ LYS 58 -4.620 1.931 11.428 493 HZ3 LYS 58 2HZ LYS 58 -5.203 2.557 12.887 494 H ASP 59 H ASP 59 -4.192 4.179 4.512 495 HA ASP 59 HA ASP 59 -4.268 1.305 4.783 496 HB2 ASP 59 2HB ASP 59 -5.145 3.296 2.790 497 HB3 ASP 59 3HB ASP 59 -4.628 1.749 2.124 498 H TYR 60 H TYR 60 -1.955 3.633 3.922 499 HA TYR 60 HA TYR 60 -0.448 2.046 2.076 500 HB2 TYR 60 2HB TYR 60 -0.365 4.541 2.161 501 HB3 TYR 60 3HB TYR 60 0.479 4.422 3.701 502 HD1 TYR 60 HD2 TYR 60 0.916 2.417 0.590 503 HD2 TYR 60 HD1 TYR 60 2.622 5.230 3.288 504 HE1 TYR 60 HE2 TYR 60 3.060 2.252 -0.604 505 HE2 TYR 60 HE1 TYR 60 4.771 5.074 2.101 506 HH TYR 60 HH TYR 60 5.409 2.650 -0.235 507 H GLN 61 H GLN 61 -0.758 2.141 5.475 508 HA GLN 61 HA GLN 61 1.852 1.055 6.051 509 HB2 GLN 61 2HB GLN 61 -0.342 2.162 7.554 510 HB3 GLN 61 3HB GLN 61 0.150 0.625 8.251 511 HG2 GLN 61 2HG GLN 61 2.507 1.498 8.239 512 HG3 GLN 61 3HG GLN 61 1.836 3.071 7.815 513 HE21 GLN 61 1HE2 GLN 61 2.655 0.988 10.311 514 HE22 GLN 61 2HE2 GLN 61 1.890 1.829 11.612 515 H MET 62 H MET 62 -0.919 -0.206 4.751 516 HA MET 62 HA MET 62 -0.858 -2.774 6.072 517 HB2 MET 62 2HB MET 62 -2.312 -2.121 3.516 518 HB3 MET 62 3HB MET 62 -2.698 -3.364 4.698 519 HG2 MET 62 2HG MET 62 -2.940 -0.392 5.098 520 HG3 MET 62 3HG MET 62 -4.263 -1.525 4.834 521 HE1 MET 62 3HE MET 62 -5.488 -0.672 6.608 522 HE2 MET 62 1HE MET 62 -5.673 -2.309 7.239 523 HE3 MET 62 2HE MET 62 -5.255 -0.986 8.328 524 H SER 63 H SER 63 -0.600 -1.928 2.616 525 HA SER 63 HA SER 63 0.601 -2.847 0.916 526 HB2 SER 63 2HB SER 63 2.663 -3.507 3.026 527 HB3 SER 63 3HB SER 63 2.936 -3.234 1.305 528 HG SER 63 HG SER 63 2.502 -1.407 3.356 529 H ALA 64 H ALA 64 -1.202 -4.554 2.546 530 HA ALA 64 HA ALA 64 -0.769 -6.997 1.250 531 HB1 ALA 64 1HB ALA 64 -0.296 -8.363 3.365 532 HB2 ALA 64 2HB ALA 64 1.051 -7.498 2.625 533 HB3 ALA 64 3HB ALA 64 0.265 -6.843 4.061 534 H GLY 65 H GLY 65 -2.958 -5.377 1.545 535 HA2 GLY 65 2HA GLY 65 -4.726 -7.039 3.232 536 HA3 GLY 65 3HA GLY 65 -4.913 -5.295 3.126 537 H ALA 66 H ALA 66 -6.107 -8.153 2.038 538 HA ALA 66 HA ALA 66 -6.573 -7.710 -0.696 539 HB1 ALA 66 1HB ALA 66 -8.733 -9.137 0.612 540 HB2 ALA 66 2HB ALA 66 -7.572 -9.699 -0.592 541 HB3 ALA 66 3HB ALA 66 -7.146 -9.716 1.119 542 H THR 67 H THR 67 -8.126 -6.636 -1.806 543 HA THR 67 HA THR 67 -10.125 -5.147 -0.232 544 HB THR 67 HB THR 67 -9.659 -3.763 -2.661 545 HG1 THR 67 HG1 THR 67 -7.289 -4.480 -1.254 546 HG21 THR 67 3HG2 THR 67 -10.368 -2.955 -0.340 547 HG22 THR 67 1HG2 THR 67 -9.271 -1.920 -1.252 548 HG23 THR 67 2HG2 THR 67 -8.648 -2.937 0.048 549 H PHE 68 H PHE 68 -12.189 -5.063 -1.009 550 HA PHE 68 HA PHE 68 -12.724 -6.405 -3.572 551 HB2 PHE 68 2HB PHE 68 -13.200 -7.724 -1.340 552 HB3 PHE 68 3HB PHE 68 -14.642 -6.715 -1.297 553 HD1 PHE 68 HD1 PHE 68 -15.651 -6.556 -3.903 554 HD2 PHE 68 HD2 PHE 68 -13.655 -9.840 -2.072 555 HE1 PHE 68 HE1 PHE 68 -16.778 -8.100 -5.452 556 HE2 PHE 68 HE2 PHE 68 -14.778 -11.389 -3.619 557 HZ PHE 68 HZ PHE 68 -16.341 -10.520 -5.312 558 H HIS 69 H HIS 69 -13.595 -4.961 -4.893 559 HA HIS 69 HA HIS 69 -15.108 -2.715 -3.826 560 HB2 HIS 69 2HB HIS 69 -14.074 -3.375 -6.583 561 HB3 HIS 69 3HB HIS 69 -15.110 -1.987 -6.262 562 HD1 HIS 69 HD1 HIS 69 -13.634 -0.005 -6.377 563 HD2 HIS 69 HD2 HIS 69 -11.869 -3.130 -4.283 564 HE1 HIS 69 HE1 HIS 69 -11.460 0.911 -5.507 565 H MET 70 H MET 70 -17.244 -2.261 -4.320 566 HA MET 70 HA MET 70 -18.748 -4.401 -5.670 567 HB2 MET 70 2HB MET 70 -19.171 -4.684 -3.332 568 HB3 MET 70 3HB MET 70 -19.437 -2.961 -3.109 569 HG2 MET 70 2HG MET 70 -21.563 -3.054 -3.839 570 HG3 MET 70 3HG MET 70 -21.211 -4.290 -5.044 571 HE1 MET 70 3HE MET 70 -20.433 -5.284 -0.960 572 HE2 MET 70 1HE MET 70 -20.861 -3.638 -1.427 573 HE3 MET 70 2HE MET 70 -22.057 -4.671 -0.643 574 H VAL 71 H VAL 71 -20.025 -3.729 -7.269 575 HA VAL 71 HA VAL 71 -20.921 -0.929 -7.293 576 HB VAL 71 HB VAL 71 -19.858 -2.370 -9.725 577 HG11 VAL 71 1HG1 VAL 71 -20.170 -0.344 -10.900 578 HG12 VAL 71 2HG1 VAL 71 -21.669 -0.625 -10.013 579 HG13 VAL 71 3HG1 VAL 71 -20.497 0.553 -9.418 580 HG21 VAL 71 3HG2 VAL 71 -18.574 -0.438 -7.830 581 HG22 VAL 71 1HG2 VAL 71 -17.933 -1.940 -8.498 582 HG23 VAL 71 2HG2 VAL 71 -18.074 -0.509 -9.520 583 H VAL 72 H VAL 72 -23.065 -1.038 -7.167 584 HA VAL 72 HA VAL 72 -24.467 -3.145 -8.673 585 HB VAL 72 HB VAL 72 -24.993 -3.317 -6.353 586 HG11 VAL 72 1HG1 VAL 72 -24.775 -0.454 -6.422 587 HG12 VAL 72 2HG1 VAL 72 -26.295 -0.935 -5.665 588 HG13 VAL 72 3HG1 VAL 72 -24.764 -1.543 -5.035 589 HG21 VAL 72 3HG2 VAL 72 -26.867 -3.192 -8.225 590 HG22 VAL 72 1HG2 VAL 72 -27.265 -3.416 -6.521 591 HG23 VAL 72 2HG2 VAL 72 -27.393 -1.816 -7.254 592 H ALA 73 H ALA 73 -25.046 -2.369 -10.606 593 HA ALA 73 HA ALA 73 -26.411 0.243 -10.683 594 HB1 ALA 73 1HB ALA 73 -25.419 0.793 -12.730 595 HB2 ALA 73 2HB ALA 73 -24.099 0.132 -11.764 596 HB3 ALA 73 3HB ALA 73 -24.864 -0.858 -13.007 597 H LEU 74 H LEU 74 -28.505 -0.403 -10.709 598 HA LEU 74 HA LEU 74 -30.459 -1.292 -11.457 599 HB2 LEU 74 2HB LEU 74 -28.923 -1.450 -14.046 600 HB3 LEU 74 3HB LEU 74 -30.668 -1.638 -13.887 601 HG LEU 74 HG LEU 74 -30.457 0.777 -12.809 602 HD11 LEU 74 1HD1 LEU 74 -28.747 1.973 -14.369 603 HD12 LEU 74 2HD1 LEU 74 -27.954 0.399 -14.390 604 HD13 LEU 74 3HD1 LEU 74 -28.204 1.240 -12.860 605 HD21 LEU 74 3HD2 LEU 74 -31.507 -0.202 -15.061 606 HD22 LEU 74 1HD2 LEU 74 -30.233 0.799 -15.760 607 HD23 LEU 74 2HD2 LEU 74 -31.447 1.525 -14.706 608 H ARG 75 H ARG 75 -28.876 -3.085 -10.113 609 HA ARG 75 HA ARG 75 -28.898 -5.561 -11.665 610 HB2 ARG 75 2HB ARG 75 -27.186 -4.559 -9.707 611 HB3 ARG 75 3HB ARG 75 -28.090 -5.826 -8.888 612 HG2 ARG 75 2HG ARG 75 -26.038 -6.703 -9.829 613 HG3 ARG 75 3HG ARG 75 -27.441 -7.414 -10.629 614 HD2 ARG 75 2HD ARG 75 -26.615 -6.766 -12.585 615 HD3 ARG 75 3HD ARG 75 -26.782 -5.088 -12.070 616 HE ARG 75 HE ARG 75 -24.426 -5.969 -10.962 617 HH11 ARG 75 1HH1 ARG 75 -25.747 -5.678 -14.170 618 HH12 ARG 75 2HH1 ARG 75 -24.206 -5.428 -14.922 619 HH21 ARG 75 1HH2 ARG 75 -22.392 -5.642 -11.941 620 HH22 ARG 75 2HH2 ARG 75 -22.298 -5.409 -13.654 621 H ALA 76 H ALA 76 -29.296 -7.394 -9.613 622 HA ALA 76 HA ALA 76 -30.948 -8.563 -8.573 623 HB1 ALA 76 1HB ALA 76 -31.585 -7.464 -6.756 624 HB2 ALA 76 2HB ALA 76 -31.000 -5.967 -7.483 625 HB3 ALA 76 3HB ALA 76 -32.678 -6.460 -7.709 626 H GLY 77 H GLY 77 -33.594 -8.431 -8.327 627 HA2 GLY 77 2HA GLY 77 -34.708 -7.700 -10.942 628 HA3 GLY 77 3HA GLY 77 -34.833 -9.372 -10.418 629 H CYS 78 H CYS 78 -35.220 -6.331 -8.617 630 HA CYS 78 HA CYS 78 -36.936 -5.513 -7.371 631 HB2 CYS 78 2HB CYS 78 -38.067 -6.248 -9.768 632 HB3 CYS 78 3HB CYS 78 -39.071 -7.103 -8.603 633 HG CYS 78 HG CYS 78 -40.288 -5.031 -7.562 Start of MODEL 4 1 H MET 1 H MET 1 1.996 0.306 0.719 2 HA MET 1 HA MET 1 2.137 1.242 -1.786 3 HB2 MET 1 2HB MET 1 4.101 0.551 -0.481 4 HB3 MET 1 3HB MET 1 3.708 -1.137 -0.778 5 HG2 MET 1 2HG MET 1 4.442 -1.079 -2.926 6 HG3 MET 1 3HG MET 1 4.043 0.625 -3.134 7 HE1 MET 1 3HE MET 1 7.119 0.898 -4.297 8 HE2 MET 1 1HE MET 1 5.578 1.708 -4.015 9 HE3 MET 1 2HE MET 1 7.041 2.298 -3.226 10 H LEU 2 H LEU 2 1.998 -2.281 -1.220 11 HA LEU 2 HA LEU 2 0.766 -2.568 -3.874 12 HB2 LEU 2 2HB LEU 2 2.751 -3.823 -3.788 13 HB3 LEU 2 3HB LEU 2 2.395 -4.425 -2.170 14 HG LEU 2 HG LEU 2 0.546 -5.200 -4.361 15 HD11 LEU 2 1HD1 LEU 2 2.361 -7.217 -4.461 16 HD12 LEU 2 2HD1 LEU 2 3.414 -5.808 -4.333 17 HD13 LEU 2 3HD1 LEU 2 2.240 -5.915 -5.644 18 HD21 LEU 2 3HD2 LEU 2 -0.135 -6.637 -2.813 19 HD22 LEU 2 1HD2 LEU 2 0.998 -5.900 -1.680 20 HD23 LEU 2 2HD2 LEU 2 1.494 -7.292 -2.643 21 H LEU 3 H LEU 3 -1.292 -3.166 -4.026 22 HA LEU 3 HA LEU 3 -2.523 -4.669 -1.835 23 HB2 LEU 3 2HB LEU 3 -4.314 -3.223 -1.556 24 HB3 LEU 3 3HB LEU 3 -2.926 -2.144 -1.678 25 HG LEU 3 HG LEU 3 -4.861 -2.739 -3.917 26 HD11 LEU 3 1HD1 LEU 3 -5.291 -1.171 -1.676 27 HD12 LEU 3 2HD1 LEU 3 -6.163 -1.082 -3.206 28 HD13 LEU 3 3HD1 LEU 3 -4.783 -0.023 -2.915 29 HD21 LEU 3 3HD2 LEU 3 -3.747 -0.716 -4.917 30 HD22 LEU 3 1HD2 LEU 3 -2.751 -2.170 -4.839 31 HD23 LEU 3 2HD2 LEU 3 -2.511 -0.873 -3.668 32 H LYS 4 H LYS 4 -4.286 -5.954 -2.435 33 HA LYS 4 HA LYS 4 -4.570 -6.328 -5.342 34 HB2 LYS 4 2HB LYS 4 -3.635 -8.291 -4.360 35 HB3 LYS 4 3HB LYS 4 -4.807 -8.274 -3.049 36 HG2 LYS 4 2HG LYS 4 -6.033 -8.426 -5.689 37 HG3 LYS 4 3HG LYS 4 -4.968 -9.786 -5.324 38 HD2 LYS 4 2HD LYS 4 -6.627 -9.127 -3.054 39 HD3 LYS 4 3HD LYS 4 -7.609 -9.437 -4.487 40 HE2 LYS 4 2HE LYS 4 -5.840 -11.468 -4.659 41 HE3 LYS 4 3HE LYS 4 -5.915 -11.264 -2.909 42 HZ1 LYS 4 3HZ LYS 4 -7.568 -12.825 -3.519 43 HZ2 LYS 4 1HZ LYS 4 -8.166 -11.834 -4.752 44 HZ3 LYS 4 2HZ LYS 4 -8.381 -11.393 -3.134 45 H VAL 5 H VAL 5 -6.384 -5.451 -6.086 46 HA VAL 5 HA VAL 5 -8.778 -5.462 -4.380 47 HB VAL 5 HB VAL 5 -9.668 -3.736 -5.897 48 HG11 VAL 5 1HG1 VAL 5 -8.010 -1.938 -5.288 49 HG12 VAL 5 2HG1 VAL 5 -8.580 -2.935 -3.948 50 HG13 VAL 5 3HG1 VAL 5 -6.983 -3.218 -4.641 51 HG21 VAL 5 3HG2 VAL 5 -8.825 -3.578 -7.950 52 HG22 VAL 5 1HG2 VAL 5 -7.392 -2.833 -7.240 53 HG23 VAL 5 2HG2 VAL 5 -7.436 -4.574 -7.516 54 H LYS 6 H LYS 6 -10.418 -6.765 -4.852 55 HA LYS 6 HA LYS 6 -10.631 -7.828 -7.591 56 HB2 LYS 6 2HB LYS 6 -11.520 -9.937 -6.528 57 HB3 LYS 6 3HB LYS 6 -9.805 -9.634 -6.282 58 HG2 LYS 6 2HG LYS 6 -10.068 -9.736 -4.090 59 HG3 LYS 6 3HG LYS 6 -11.273 -8.447 -4.143 60 HD2 LYS 6 2HD LYS 6 -12.355 -10.300 -3.157 61 HD3 LYS 6 3HD LYS 6 -12.945 -10.230 -4.819 62 HE2 LYS 6 2HE LYS 6 -10.627 -11.823 -4.859 63 HE3 LYS 6 3HE LYS 6 -11.569 -12.352 -3.466 64 HZ1 LYS 6 3HZ LYS 6 -12.119 -13.524 -5.557 65 HZ2 LYS 6 1HZ LYS 6 -12.677 -12.063 -6.204 66 HZ3 LYS 6 2HZ LYS 6 -13.447 -12.742 -4.860 67 H THR 7 H THR 7 -12.527 -7.466 -8.532 68 HA THR 7 HA THR 7 -14.692 -6.315 -6.982 69 HB THR 7 HB THR 7 -15.353 -6.801 -9.758 70 HG1 THR 7 HG1 THR 7 -13.696 -5.586 -10.683 71 HG21 THR 7 3HG2 THR 7 -16.421 -5.115 -8.349 72 HG22 THR 7 1HG2 THR 7 -15.664 -4.364 -9.753 73 HG23 THR 7 2HG2 THR 7 -14.883 -4.271 -8.175 74 H VAL 8 H VAL 8 -16.974 -7.037 -7.580 75 HA VAL 8 HA VAL 8 -17.299 -9.739 -6.805 76 HB VAL 8 HB VAL 8 -18.946 -7.938 -6.317 77 HG11 VAL 8 1HG1 VAL 8 -20.424 -7.102 -7.955 78 HG12 VAL 8 2HG1 VAL 8 -18.813 -6.984 -8.665 79 HG13 VAL 8 3HG1 VAL 8 -19.897 -8.289 -9.148 80 HG21 VAL 8 3HG2 VAL 8 -20.530 -9.937 -7.808 81 HG22 VAL 8 1HG2 VAL 8 -19.378 -10.567 -6.631 82 HG23 VAL 8 2HG2 VAL 8 -20.632 -9.437 -6.120 83 H SER 9 H SER 9 -16.625 -8.361 -9.798 84 HA SER 9 HA SER 9 -17.992 -10.389 -11.368 85 HB2 SER 9 2HB SER 9 -16.541 -7.865 -11.943 86 HB3 SER 9 3HB SER 9 -16.473 -9.111 -13.189 87 HG SER 9 HG SER 9 -18.303 -7.540 -13.214 88 H ASN 10 H ASN 10 -15.542 -10.713 -9.452 89 HA ASN 10 HA ASN 10 -13.812 -12.184 -9.296 90 HB2 ASN 10 2HB ASN 10 -15.531 -13.368 -11.103 91 HB3 ASN 10 3HB ASN 10 -14.003 -13.342 -11.978 92 HD21 ASN 10 1HD2 ASN 10 -15.806 -14.755 -9.444 93 HD22 ASN 10 2HD2 ASN 10 -14.617 -15.898 -8.930 94 H LYS 11 H LYS 11 -13.384 -9.556 -10.278 95 HA LYS 11 HA LYS 11 -11.180 -9.959 -12.188 96 HB2 LYS 11 2HB LYS 11 -12.878 -7.544 -11.572 97 HB3 LYS 11 3HB LYS 11 -11.379 -7.434 -12.486 98 HG2 LYS 11 2HG LYS 11 -12.349 -9.098 -14.092 99 HG3 LYS 11 3HG LYS 11 -13.883 -8.919 -13.237 100 HD2 LYS 11 2HD LYS 11 -14.338 -7.043 -14.343 101 HD3 LYS 11 3HD LYS 11 -12.794 -6.335 -13.860 102 HE2 LYS 11 2HE LYS 11 -11.725 -7.621 -15.723 103 HE3 LYS 11 3HE LYS 11 -13.341 -8.088 -16.251 104 HZ1 LYS 11 3HZ LYS 11 -12.159 -5.375 -16.188 105 HZ2 LYS 11 1HZ LYS 11 -13.824 -5.630 -16.349 106 HZ3 LYS 11 2HZ LYS 11 -12.760 -6.223 -17.523 107 H VAL 12 H VAL 12 -9.606 -10.556 -10.693 108 HA VAL 12 HA VAL 12 -9.000 -8.725 -8.503 109 HB VAL 12 HB VAL 12 -7.551 -11.275 -9.210 110 HG11 VAL 12 1HG1 VAL 12 -7.722 -9.666 -6.664 111 HG12 VAL 12 2HG1 VAL 12 -6.891 -11.213 -6.839 112 HG13 VAL 12 3HG1 VAL 12 -6.323 -9.800 -7.729 113 HG21 VAL 12 3HG2 VAL 12 -9.399 -12.378 -8.629 114 HG22 VAL 12 1HG2 VAL 12 -9.150 -11.767 -6.994 115 HG23 VAL 12 2HG2 VAL 12 -10.202 -10.897 -8.110 116 H ILE 13 H ILE 13 -7.312 -7.356 -8.470 117 HA ILE 13 HA ILE 13 -5.284 -7.568 -10.584 118 HB ILE 13 HB ILE 13 -6.653 -4.997 -9.787 119 HG12 ILE 13 2HG1 ILE 13 -8.060 -6.442 -11.205 120 HG13 ILE 13 3HG1 ILE 13 -7.551 -4.991 -12.061 121 HG21 ILE 13 1HG2 ILE 13 -4.614 -4.202 -10.367 122 HG22 ILE 13 2HG2 ILE 13 -4.217 -5.617 -11.341 123 HG23 ILE 13 3HG2 ILE 13 -5.278 -4.368 -11.992 124 HD11 ILE 13 3HD1 ILE 13 -7.302 -7.643 -12.892 125 HD12 ILE 13 1HD1 ILE 13 -6.638 -6.204 -13.666 126 HD13 ILE 13 2HD1 ILE 13 -5.669 -7.107 -12.500 127 H GLN 14 H GLN 14 -3.357 -7.723 -9.664 128 HA GLN 14 HA GLN 14 -2.940 -6.529 -7.016 129 HB2 GLN 14 2HB GLN 14 -2.469 -9.042 -7.677 130 HB3 GLN 14 3HB GLN 14 -0.959 -8.372 -8.281 131 HG2 GLN 14 2HG GLN 14 -0.145 -7.991 -6.221 132 HG3 GLN 14 3HG GLN 14 -1.719 -7.549 -5.562 133 HE21 GLN 14 1HE2 GLN 14 0.579 -9.517 -4.898 134 HE22 GLN 14 2HE2 GLN 14 -0.266 -10.966 -4.483 135 H ILE 15 H ILE 15 -2.032 -4.587 -7.028 136 HA ILE 15 HA ILE 15 0.065 -4.034 -9.025 137 HB ILE 15 HB ILE 15 -0.554 -1.650 -8.884 138 HG12 ILE 15 2HG1 ILE 15 -1.704 -2.110 -6.560 139 HG13 ILE 15 3HG1 ILE 15 -2.304 -0.834 -7.614 140 HG21 ILE 15 1HG2 ILE 15 -2.838 -1.925 -10.018 141 HG22 ILE 15 2HG2 ILE 15 -1.450 -2.734 -10.745 142 HG23 ILE 15 3HG2 ILE 15 -2.598 -3.654 -9.772 143 HD11 ILE 15 3HD1 ILE 15 -3.914 -2.578 -6.477 144 HD12 ILE 15 1HD1 ILE 15 -4.224 -1.946 -8.093 145 HD13 ILE 15 2HD1 ILE 15 -3.487 -3.536 -7.894 146 H THR 16 H THR 16 1.816 -2.708 -8.358 147 HA THR 16 HA THR 16 2.145 -2.488 -5.438 148 HB THR 16 HB THR 16 3.509 -4.344 -6.125 149 HG1 THR 16 HG1 THR 16 4.668 -3.229 -4.664 150 HG21 THR 16 3HG2 THR 16 4.202 -2.543 -8.381 151 HG22 THR 16 1HG2 THR 16 3.932 -4.285 -8.367 152 HG23 THR 16 2HG2 THR 16 5.462 -3.626 -7.790 153 H SER 17 H SER 17 1.215 -0.303 -6.365 154 HA SER 17 HA SER 17 3.284 1.613 -6.111 155 HB2 SER 17 2HB SER 17 3.867 1.220 -8.372 156 HB3 SER 17 3HB SER 17 2.180 1.117 -8.874 157 HG SER 17 HG SER 17 3.106 3.496 -7.721 158 H LEU 18 H LEU 18 1.566 1.911 -4.456 159 HA LEU 18 HA LEU 18 -0.732 3.432 -5.482 160 HB2 LEU 18 2HB LEU 18 -0.451 1.464 -3.441 161 HB3 LEU 18 3HB LEU 18 -0.954 2.978 -2.693 162 HG LEU 18 HG LEU 18 -2.818 1.427 -3.297 163 HD11 LEU 18 1HD1 LEU 18 -3.477 3.686 -4.978 164 HD12 LEU 18 2HD1 LEU 18 -2.642 4.186 -3.507 165 HD13 LEU 18 3HD1 LEU 18 -4.118 3.226 -3.400 166 HD21 LEU 18 3HD2 LEU 18 -3.456 1.142 -5.582 167 HD22 LEU 18 1HD2 LEU 18 -1.772 0.644 -5.424 168 HD23 LEU 18 2HD2 LEU 18 -2.164 2.211 -6.132 169 H THR 19 H THR 19 -1.327 5.403 -4.449 170 HA THR 19 HA THR 19 0.953 7.000 -3.703 171 HB THR 19 HB THR 19 -1.729 8.191 -3.406 172 HG1 THR 19 HG1 THR 19 -2.172 8.138 -5.607 173 HG21 THR 19 3HG2 THR 19 -0.001 9.389 -5.368 174 HG22 THR 19 1HG2 THR 19 0.905 9.034 -3.898 175 HG23 THR 19 2HG2 THR 19 -0.545 10.034 -3.820 176 H ASP 20 H ASP 20 0.421 8.698 -1.861 177 HA ASP 20 HA ASP 20 -0.523 7.191 0.489 178 HB2 ASP 20 2HB ASP 20 1.237 8.829 1.650 179 HB3 ASP 20 3HB ASP 20 1.702 7.254 1.012 180 H ASP 21 H ASP 21 -1.431 9.524 -1.455 181 HA ASP 21 HA ASP 21 -2.124 11.503 0.585 182 HB2 ASP 21 2HB ASP 21 -1.609 11.599 -2.246 183 HB3 ASP 21 3HB ASP 21 -3.203 12.266 -1.906 184 H ASN 22 H ASN 22 -3.711 9.537 -1.922 185 HA ASN 22 HA ASN 22 -6.218 9.784 -0.393 186 HB2 ASN 22 2HB ASN 22 -5.692 9.677 -3.346 187 HB3 ASN 22 3HB ASN 22 -7.239 9.127 -2.708 188 HD21 ASN 22 1HD2 ASN 22 -6.434 11.452 -4.397 189 HD22 ASN 22 2HD2 ASN 22 -7.104 12.829 -3.597 190 H THR 23 H THR 23 -4.232 7.620 -2.369 191 HA THR 23 HA THR 23 -4.016 5.355 -2.413 192 HB THR 23 HB THR 23 -5.241 5.590 0.340 193 HG1 THR 23 HG1 THR 23 -2.997 6.429 -0.342 194 HG21 THR 23 3HG2 THR 23 -4.172 3.226 -1.165 195 HG22 THR 23 1HG2 THR 23 -5.649 3.360 -0.213 196 HG23 THR 23 2HG2 THR 23 -4.082 3.293 0.595 197 H ILE 24 H ILE 24 -6.942 5.319 -0.434 198 HA ILE 24 HA ILE 24 -8.239 3.481 -2.174 199 HB ILE 24 HB ILE 24 -9.434 5.120 0.065 200 HG12 ILE 24 2HG1 ILE 24 -9.193 2.615 1.057 201 HG13 ILE 24 3HG1 ILE 24 -7.788 2.658 -0.002 202 HG21 ILE 24 1HG2 ILE 24 -10.425 2.603 -1.268 203 HG22 ILE 24 2HG2 ILE 24 -11.179 3.414 0.103 204 HG23 ILE 24 3HG2 ILE 24 -11.109 4.216 -1.466 205 HD11 ILE 24 3HD1 ILE 24 -7.935 3.597 2.586 206 HD12 ILE 24 1HD1 ILE 24 -6.659 3.933 1.416 207 HD13 ILE 24 2HD1 ILE 24 -8.007 5.056 1.599 208 H ALA 25 H ALA 25 -8.832 6.908 -1.411 209 HA ALA 25 HA ALA 25 -11.001 7.302 -3.123 210 HB1 ALA 25 1HB ALA 25 -9.615 8.857 -1.354 211 HB2 ALA 25 2HB ALA 25 -9.213 9.604 -2.901 212 HB3 ALA 25 3HB ALA 25 -10.900 9.425 -2.421 213 H GLU 26 H GLU 26 -7.527 7.498 -3.733 214 HA GLU 26 HA GLU 26 -7.747 8.529 -6.369 215 HB2 GLU 26 2HB GLU 26 -5.680 8.754 -5.118 216 HB3 GLU 26 3HB GLU 26 -5.512 7.007 -5.021 217 HG2 GLU 26 2HG GLU 26 -4.333 7.041 -6.885 218 HG3 GLU 26 3HG GLU 26 -5.749 7.639 -7.750 219 H LEU 27 H LEU 27 -7.526 5.269 -5.036 220 HA LEU 27 HA LEU 27 -7.260 3.920 -7.507 221 HB2 LEU 27 2HB LEU 27 -7.478 3.242 -4.748 222 HB3 LEU 27 3HB LEU 27 -8.628 2.265 -5.658 223 HG LEU 27 HG LEU 27 -5.646 2.401 -6.097 224 HD11 LEU 27 1HD1 LEU 27 -5.512 0.754 -4.624 225 HD12 LEU 27 2HD1 LEU 27 -6.632 -0.209 -5.589 226 HD13 LEU 27 3HD1 LEU 27 -7.248 0.863 -4.332 227 HD21 LEU 27 3HD2 LEU 27 -6.239 0.407 -7.624 228 HD22 LEU 27 1HD2 LEU 27 -6.492 2.044 -8.230 229 HD23 LEU 27 2HD2 LEU 27 -7.861 1.102 -7.639 230 H LYS 28 H LYS 28 -10.089 4.547 -5.444 231 HA LYS 28 HA LYS 28 -11.970 3.317 -7.154 232 HB2 LYS 28 2HB LYS 28 -13.660 4.449 -5.821 233 HB3 LYS 28 3HB LYS 28 -12.406 3.796 -4.775 234 HG2 LYS 28 2HG LYS 28 -11.380 6.055 -4.689 235 HG3 LYS 28 3HG LYS 28 -12.758 6.668 -5.605 236 HD2 LYS 28 2HD LYS 28 -12.944 5.263 -2.941 237 HD3 LYS 28 3HD LYS 28 -12.980 7.014 -3.162 238 HE2 LYS 28 2HE LYS 28 -14.946 6.582 -4.744 239 HE3 LYS 28 3HE LYS 28 -14.995 4.966 -4.041 240 HZ1 LYS 28 3HZ LYS 28 -15.091 7.420 -2.387 241 HZ2 LYS 28 1HZ LYS 28 -15.481 5.839 -1.930 242 HZ3 LYS 28 2HZ LYS 28 -16.486 6.683 -2.996 243 H GLY 29 H GLY 29 -10.784 6.636 -6.893 244 HA2 GLY 29 2HA GLY 29 -12.622 7.772 -8.731 245 HA3 GLY 29 3HA GLY 29 -11.088 8.474 -8.239 246 H LYS 30 H LYS 30 -9.500 6.212 -9.127 247 HA LYS 30 HA LYS 30 -9.135 7.011 -11.841 248 HB2 LYS 30 2HB LYS 30 -7.856 4.952 -10.065 249 HB3 LYS 30 3HB LYS 30 -7.478 5.014 -11.782 250 HG2 LYS 30 2HG LYS 30 -7.287 7.540 -10.241 251 HG3 LYS 30 3HG LYS 30 -6.049 6.310 -9.972 252 HD2 LYS 30 2HD LYS 30 -5.514 6.280 -12.330 253 HD3 LYS 30 3HD LYS 30 -6.831 7.404 -12.675 254 HE2 LYS 30 2HE LYS 30 -5.533 9.151 -12.216 255 HE3 LYS 30 3HE LYS 30 -5.109 8.481 -10.642 256 HZ1 LYS 30 3HZ LYS 30 -3.442 8.779 -12.802 257 HZ2 LYS 30 1HZ LYS 30 -3.760 7.119 -12.743 258 HZ3 LYS 30 2HZ LYS 30 -3.117 7.905 -11.391 259 H LEU 31 H LEU 31 -10.613 4.256 -10.244 260 HA LEU 31 HA LEU 31 -10.900 2.649 -12.568 261 HB2 LEU 31 2HB LEU 31 -11.082 2.050 -10.035 262 HB3 LEU 31 3HB LEU 31 -12.776 2.487 -10.248 263 HG LEU 31 HG LEU 31 -11.487 0.451 -12.031 264 HD11 LEU 31 1HD1 LEU 31 -11.914 -1.295 -10.547 265 HD12 LEU 31 2HD1 LEU 31 -12.906 -0.286 -9.496 266 HD13 LEU 31 3HD1 LEU 31 -11.158 -0.060 -9.541 267 HD21 LEU 31 3HD2 LEU 31 -13.532 0.364 -12.882 268 HD22 LEU 31 1HD2 LEU 31 -14.071 1.599 -11.744 269 HD23 LEU 31 2HD2 LEU 31 -14.170 -0.106 -11.305 270 H GLU 32 H GLU 32 -13.040 4.931 -10.904 271 HA GLU 32 HA GLU 32 -15.275 4.512 -12.597 272 HB2 GLU 32 2HB GLU 32 -16.121 6.633 -11.630 273 HB3 GLU 32 3HB GLU 32 -15.578 5.490 -10.409 274 HG2 GLU 32 2HG GLU 32 -13.452 6.722 -10.241 275 HG3 GLU 32 3HG GLU 32 -14.067 7.896 -11.404 276 H GLU 33 H GLU 33 -12.607 6.830 -12.631 277 HA GLU 33 HA GLU 33 -13.584 8.379 -14.795 278 HB2 GLU 33 2HB GLU 33 -11.712 8.891 -13.039 279 HB3 GLU 33 3HB GLU 33 -10.659 8.106 -14.207 280 HG2 GLU 33 2HG GLU 33 -10.643 10.515 -14.490 281 HG3 GLU 33 3HG GLU 33 -11.318 9.715 -15.908 282 H SER 34 H SER 34 -11.590 5.503 -14.575 283 HA SER 34 HA SER 34 -10.633 5.477 -17.223 284 HB2 SER 34 2HB SER 34 -9.959 3.236 -16.809 285 HB3 SER 34 3HB SER 34 -9.826 4.063 -15.257 286 HG SER 34 HG SER 34 -10.894 1.980 -15.186 287 H GLU 35 H GLU 35 -13.505 4.017 -15.740 288 HA GLU 35 HA GLU 35 -14.411 2.924 -18.250 289 HB2 GLU 35 2HB GLU 35 -15.522 3.008 -15.462 290 HB3 GLU 35 3HB GLU 35 -16.531 2.502 -16.809 291 HG2 GLU 35 2HG GLU 35 -13.872 1.220 -16.469 292 HG3 GLU 35 3HG GLU 35 -15.179 0.766 -15.377 293 H GLY 36 H GLY 36 -14.473 5.959 -16.858 294 HA2 GLY 36 2HA GLY 36 -15.370 7.872 -17.892 295 HA3 GLY 36 3HA GLY 36 -16.486 6.844 -18.778 296 H ILE 37 H ILE 37 -17.582 5.410 -16.629 297 HA ILE 37 HA ILE 37 -18.762 7.468 -14.908 298 HB ILE 37 HB ILE 37 -21.017 6.346 -15.275 299 HG12 ILE 37 2HG1 ILE 37 -19.689 5.415 -17.827 300 HG13 ILE 37 3HG1 ILE 37 -20.045 4.361 -16.463 301 HG21 ILE 37 1HG2 ILE 37 -20.272 7.620 -17.834 302 HG22 ILE 37 2HG2 ILE 37 -21.577 8.002 -16.712 303 HG23 ILE 37 3HG2 ILE 37 -19.933 8.538 -16.367 304 HD11 ILE 37 3HD1 ILE 37 -22.444 5.655 -17.029 305 HD12 ILE 37 1HD1 ILE 37 -21.754 5.239 -18.597 306 HD13 ILE 37 2HD1 ILE 37 -22.017 3.982 -17.387 307 HA PRO 38 HA PRO 38 -18.431 4.473 -11.715 308 HB2 PRO 38 2HB PRO 38 -20.553 5.125 -10.153 309 HB3 PRO 38 3HB PRO 38 -19.097 6.122 -10.260 310 HG2 PRO 38 2HG PRO 38 -21.731 6.460 -11.643 311 HG3 PRO 38 3HG PRO 38 -20.706 7.685 -10.875 312 HD2 PRO 38 2HD PRO 38 -20.757 7.302 -13.555 313 HD3 PRO 38 3HD PRO 38 -19.297 7.829 -12.694 314 H GLY 39 H GLY 39 -19.039 2.407 -11.341 315 HA2 GLY 39 2HA GLY 39 -20.912 1.129 -12.989 316 HA3 GLY 39 3HA GLY 39 -20.191 0.434 -11.545 317 H ASN 40 H ASN 40 -21.166 2.068 -9.568 318 HA ASN 40 HA ASN 40 -23.845 2.746 -9.619 319 HB2 ASN 40 2HB ASN 40 -23.501 -0.075 -9.760 320 HB3 ASN 40 3HB ASN 40 -24.139 0.304 -8.163 321 HD21 ASN 40 1HD2 ASN 40 -26.237 0.729 -7.961 322 HD22 ASN 40 2HD2 ASN 40 -27.342 0.936 -9.273 323 H MET 41 H MET 41 -22.165 0.549 -7.371 324 HA MET 41 HA MET 41 -22.454 2.604 -5.290 325 HB2 MET 41 2HB MET 41 -22.441 -0.372 -5.266 326 HB3 MET 41 3HB MET 41 -21.785 0.455 -3.860 327 HG2 MET 41 2HG MET 41 -23.907 1.704 -3.657 328 HG3 MET 41 3HG MET 41 -24.554 0.756 -4.994 329 HE1 MET 41 3HE MET 41 -26.361 -0.169 -1.771 330 HE2 MET 41 1HE MET 41 -26.318 0.792 -3.250 331 HE3 MET 41 2HE MET 41 -26.685 -0.932 -3.329 332 H ILE 42 H ILE 42 -20.148 0.311 -6.690 333 HA ILE 42 HA ILE 42 -17.875 0.140 -6.535 334 HB ILE 42 HB ILE 42 -17.918 3.147 -6.342 335 HG12 ILE 42 2HG1 ILE 42 -17.649 2.477 -9.024 336 HG13 ILE 42 3HG1 ILE 42 -18.916 1.398 -8.450 337 HG21 ILE 42 1HG2 ILE 42 -15.939 1.094 -7.234 338 HG22 ILE 42 2HG2 ILE 42 -15.885 2.725 -7.902 339 HG23 ILE 42 3HG2 ILE 42 -15.713 2.477 -6.164 340 HD11 ILE 42 3HD1 ILE 42 -20.184 3.304 -7.637 341 HD12 ILE 42 1HD1 ILE 42 -18.907 4.394 -8.176 342 HD13 ILE 42 2HD1 ILE 42 -19.828 3.462 -9.357 343 H ARG 43 H ARG 43 -18.739 -0.528 -4.171 344 HA ARG 43 HA ARG 43 -17.073 0.985 -2.268 345 HB2 ARG 43 2HB ARG 43 -19.861 0.253 -2.119 346 HB3 ARG 43 3HB ARG 43 -18.966 -0.476 -0.793 347 HG2 ARG 43 2HG ARG 43 -18.660 1.485 0.241 348 HG3 ARG 43 3HG ARG 43 -18.331 2.341 -1.267 349 HD2 ARG 43 2HD ARG 43 -20.321 3.310 -0.839 350 HD3 ARG 43 3HD ARG 43 -20.958 1.839 -1.572 351 HE ARG 43 HE ARG 43 -20.671 1.279 1.109 352 HH11 ARG 43 1HH1 ARG 43 -22.426 3.584 -0.822 353 HH12 ARG 43 2HH1 ARG 43 -23.734 3.729 0.304 354 HH21 ARG 43 1HH2 ARG 43 -22.388 1.462 2.600 355 HH22 ARG 43 2HH2 ARG 43 -23.711 2.522 2.251 356 H LEU 44 H LEU 44 -15.441 -0.123 -1.422 357 HA LEU 44 HA LEU 44 -15.467 -3.052 -1.660 358 HB2 LEU 44 2HB LEU 44 -13.031 -2.918 -1.463 359 HB3 LEU 44 3HB LEU 44 -13.642 -1.979 -2.824 360 HG LEU 44 HG LEU 44 -13.143 -0.559 -0.258 361 HD11 LEU 44 1HD1 LEU 44 -11.111 -2.031 -1.731 362 HD12 LEU 44 2HD1 LEU 44 -11.032 -1.266 -0.144 363 HD13 LEU 44 3HD1 LEU 44 -10.756 -0.308 -1.599 364 HD21 LEU 44 3HD2 LEU 44 -13.855 0.979 -1.752 365 HD22 LEU 44 1HD2 LEU 44 -13.331 0.032 -3.144 366 HD23 LEU 44 2HD2 LEU 44 -12.156 0.974 -2.227 367 H VAL 45 H VAL 45 -14.568 -4.318 0.081 368 HA VAL 45 HA VAL 45 -14.934 -3.031 2.708 369 HB VAL 45 HB VAL 45 -15.322 -5.953 2.050 370 HG11 VAL 45 1HG1 VAL 45 -14.645 -5.333 4.392 371 HG12 VAL 45 2HG1 VAL 45 -16.165 -4.445 4.516 372 HG13 VAL 45 3HG1 VAL 45 -16.180 -6.189 4.251 373 HG21 VAL 45 3HG2 VAL 45 -17.097 -4.904 0.958 374 HG22 VAL 45 1HG2 VAL 45 -17.769 -5.322 2.535 375 HG23 VAL 45 2HG2 VAL 45 -17.257 -3.667 2.204 376 H TYR 46 H TYR 46 -13.130 -2.802 3.836 377 HA TYR 46 HA TYR 46 -10.835 -4.520 3.228 378 HB2 TYR 46 2HB TYR 46 -10.980 -1.807 3.503 379 HB3 TYR 46 3HB TYR 46 -10.454 -2.290 5.112 380 HD1 TYR 46 HD1 TYR 46 -8.704 -4.561 4.572 381 HD2 TYR 46 HD2 TYR 46 -9.121 -0.896 2.453 382 HE1 TYR 46 HE1 TYR 46 -6.394 -4.778 3.756 383 HE2 TYR 46 HE2 TYR 46 -6.813 -1.103 1.629 384 HH TYR 46 HH TYR 46 -4.784 -2.197 2.093 385 H GLN 47 H GLN 47 -10.528 -6.222 4.489 386 HA GLN 47 HA GLN 47 -10.515 -7.616 6.287 387 HB2 GLN 47 2HB GLN 47 -9.262 -5.298 7.052 388 HB3 GLN 47 3HB GLN 47 -10.471 -5.496 8.314 389 HG2 GLN 47 2HG GLN 47 -9.042 -6.858 9.315 390 HG3 GLN 47 3HG GLN 47 -9.386 -8.022 8.036 391 HE21 GLN 47 1HE2 GLN 47 -7.419 -5.098 8.485 392 HE22 GLN 47 2HE2 GLN 47 -5.994 -5.738 7.749 393 H GLY 48 H GLY 48 -13.075 -6.759 5.315 394 HA2 GLY 48 2HA GLY 48 -15.244 -7.291 5.948 395 HA3 GLY 48 3HA GLY 48 -14.669 -7.554 7.588 396 H LYS 49 H LYS 49 -13.536 -4.612 6.569 397 HA LYS 49 HA LYS 49 -15.745 -3.226 7.930 398 HB2 LYS 49 2HB LYS 49 -12.907 -3.080 8.203 399 HB3 LYS 49 3HB LYS 49 -13.484 -1.524 7.620 400 HG2 LYS 49 2HG LYS 49 -13.387 -1.555 10.040 401 HG3 LYS 49 3HG LYS 49 -15.057 -1.408 9.488 402 HD2 LYS 49 2HD LYS 49 -14.954 -2.985 11.313 403 HD3 LYS 49 3HD LYS 49 -15.339 -3.845 9.821 404 HE2 LYS 49 2HE LYS 49 -13.083 -4.628 9.619 405 HE3 LYS 49 3HE LYS 49 -12.560 -3.616 10.964 406 HZ1 LYS 49 3HZ LYS 49 -14.554 -5.101 12.041 407 HZ2 LYS 49 1HZ LYS 49 -12.901 -5.422 12.199 408 HZ3 LYS 49 2HZ LYS 49 -13.802 -6.203 11.001 409 H GLN 50 H GLN 50 -16.227 -1.013 7.174 410 HA GLN 50 HA GLN 50 -15.886 -0.780 4.257 411 HB2 GLN 50 2HB GLN 50 -18.250 0.270 5.805 412 HB3 GLN 50 3HB GLN 50 -18.088 0.102 4.062 413 HG2 GLN 50 2HG GLN 50 -19.303 -1.750 4.382 414 HG3 GLN 50 3HG GLN 50 -17.749 -2.458 4.819 415 HE21 GLN 50 1HE2 GLN 50 -20.491 -3.113 5.673 416 HE22 GLN 50 2HE2 GLN 50 -20.472 -3.026 7.398 417 H LEU 51 H LEU 51 -16.135 1.483 3.444 418 HA LEU 51 HA LEU 51 -15.460 3.653 3.381 419 HB2 LEU 51 2HB LEU 51 -15.679 3.790 6.363 420 HB3 LEU 51 3HB LEU 51 -15.979 5.052 5.169 421 HG LEU 51 HG LEU 51 -17.749 2.644 5.578 422 HD11 LEU 51 1HD1 LEU 51 -18.421 5.436 6.421 423 HD12 LEU 51 2HD1 LEU 51 -17.546 4.351 7.502 424 HD13 LEU 51 3HD1 LEU 51 -19.152 3.911 6.921 425 HD21 LEU 51 3HD2 LEU 51 -17.651 4.830 3.640 426 HD22 LEU 51 1HD2 LEU 51 -19.223 4.633 4.416 427 HD23 LEU 51 2HD2 LEU 51 -18.485 3.277 3.562 428 H GLU 52 H GLU 52 -13.365 3.537 2.764 429 HA GLU 52 HA GLU 52 -11.353 3.468 4.915 430 HB2 GLU 52 2HB GLU 52 -10.909 2.422 2.120 431 HB3 GLU 52 3HB GLU 52 -9.846 2.253 3.510 432 HG2 GLU 52 2HG GLU 52 -10.775 0.285 3.892 433 HG3 GLU 52 3HG GLU 52 -12.266 1.128 4.309 434 H ASP 53 H ASP 53 -12.796 5.346 2.656 435 HA ASP 53 HA ASP 53 -10.780 6.656 1.278 436 HB2 ASP 53 2HB ASP 53 -13.468 6.952 1.436 437 HB3 ASP 53 3HB ASP 53 -12.943 8.379 2.326 438 H GLU 54 H GLU 54 -11.960 7.195 4.566 439 HA GLU 54 HA GLU 54 -10.405 9.506 5.076 440 HB2 GLU 54 2HB GLU 54 -12.338 7.995 6.450 441 HB3 GLU 54 3HB GLU 54 -10.905 7.973 7.467 442 HG2 GLU 54 2HG GLU 54 -11.969 9.848 8.229 443 HG3 GLU 54 3HG GLU 54 -10.884 10.536 7.023 444 H LYS 55 H LYS 55 -9.663 6.155 4.986 445 HA LYS 55 HA LYS 55 -7.184 6.524 6.498 446 HB2 LYS 55 2HB LYS 55 -8.727 4.131 5.559 447 HB3 LYS 55 3HB LYS 55 -7.023 3.969 5.962 448 HG2 LYS 55 2HG LYS 55 -8.098 3.397 7.931 449 HG3 LYS 55 3HG LYS 55 -7.661 5.087 8.189 450 HD2 LYS 55 2HD LYS 55 -9.806 5.745 8.277 451 HD3 LYS 55 3HD LYS 55 -10.274 4.714 6.923 452 HE2 LYS 55 2HE LYS 55 -9.944 2.796 8.682 453 HE3 LYS 55 3HE LYS 55 -10.182 4.102 9.842 454 HZ1 LYS 55 3HZ LYS 55 -12.126 4.143 7.747 455 HZ2 LYS 55 1HZ LYS 55 -12.350 4.144 9.424 456 HZ3 LYS 55 2HZ LYS 55 -12.148 2.681 8.599 457 H ARG 56 H ARG 56 -7.365 7.870 4.031 458 HA ARG 56 HA ARG 56 -6.397 6.632 1.784 459 HB2 ARG 56 2HB ARG 56 -5.099 8.928 1.520 460 HB3 ARG 56 3HB ARG 56 -6.850 8.838 1.381 461 HG2 ARG 56 2HG ARG 56 -5.900 9.269 4.111 462 HG3 ARG 56 3HG ARG 56 -5.481 10.562 2.984 463 HD2 ARG 56 2HD ARG 56 -8.067 10.114 2.315 464 HD3 ARG 56 3HD ARG 56 -8.101 9.736 4.037 465 HE ARG 56 HE ARG 56 -7.752 12.326 2.834 466 HH11 ARG 56 1HH1 ARG 56 -7.206 10.382 5.670 467 HH12 ARG 56 2HH1 ARG 56 -7.113 11.740 6.742 468 HH21 ARG 56 1HH2 ARG 56 -7.631 14.121 4.235 469 HH22 ARG 56 2HH2 ARG 56 -7.356 13.866 5.925 470 H LEU 57 H LEU 57 -4.148 8.604 3.681 471 HA LEU 57 HA LEU 57 -1.874 7.193 2.817 472 HB2 LEU 57 2HB LEU 57 -2.102 9.561 3.830 473 HB3 LEU 57 3HB LEU 57 -1.958 8.738 5.382 474 HG LEU 57 HG LEU 57 0.117 8.426 3.233 475 HD11 LEU 57 1HD1 LEU 57 -0.149 10.822 3.682 476 HD12 LEU 57 2HD1 LEU 57 1.390 10.206 4.282 477 HD13 LEU 57 3HD1 LEU 57 0.067 10.516 5.406 478 HD21 LEU 57 3HD2 LEU 57 0.879 6.962 4.728 479 HD22 LEU 57 1HD2 LEU 57 -0.276 7.496 5.950 480 HD23 LEU 57 2HD2 LEU 57 1.258 8.346 5.755 481 H LYS 58 H LYS 58 -3.931 6.853 5.641 482 HA LYS 58 HA LYS 58 -2.319 5.194 7.200 483 HB2 LYS 58 2HB LYS 58 -5.037 6.077 7.198 484 HB3 LYS 58 3HB LYS 58 -5.016 4.342 7.482 485 HG2 LYS 58 2HG LYS 58 -2.993 5.607 9.067 486 HG3 LYS 58 3HG LYS 58 -4.550 6.395 9.330 487 HD2 LYS 58 2HD LYS 58 -5.577 4.308 9.914 488 HD3 LYS 58 3HD LYS 58 -4.128 3.411 9.454 489 HE2 LYS 58 2HE LYS 58 -2.909 4.725 11.239 490 HE3 LYS 58 3HE LYS 58 -4.490 5.287 11.780 491 HZ1 LYS 58 3HZ LYS 58 -5.016 2.759 11.813 492 HZ2 LYS 58 1HZ LYS 58 -4.168 3.459 13.099 493 HZ3 LYS 58 2HZ LYS 58 -3.336 2.589 11.911 494 H ASP 59 H ASP 59 -4.110 4.536 4.312 495 HA ASP 59 HA ASP 59 -4.052 1.666 4.643 496 HB2 ASP 59 2HB ASP 59 -5.148 3.578 2.667 497 HB3 ASP 59 3HB ASP 59 -4.675 2.004 2.032 498 H TYR 60 H TYR 60 -1.923 4.065 3.526 499 HA TYR 60 HA TYR 60 -0.517 2.485 1.595 500 HB2 TYR 60 2HB TYR 60 -0.508 4.954 1.538 501 HB3 TYR 60 3HB TYR 60 0.373 4.978 3.062 502 HD1 TYR 60 HD1 TYR 60 0.659 3.455 -0.343 503 HD2 TYR 60 HD2 TYR 60 2.661 5.238 2.960 504 HE1 TYR 60 HE1 TYR 60 2.782 3.344 -1.579 505 HE2 TYR 60 HE2 TYR 60 4.790 5.133 1.734 506 HH TYR 60 HH TYR 60 5.776 4.665 -0.208 507 H GLN 61 H GLN 61 -0.466 2.775 5.020 508 HA GLN 61 HA GLN 61 2.208 1.821 5.406 509 HB2 GLN 61 2HB GLN 61 1.723 1.832 7.724 510 HB3 GLN 61 3HB GLN 61 0.875 3.217 7.049 511 HG2 GLN 61 2HG GLN 61 -0.963 2.479 8.026 512 HG3 GLN 61 3HG GLN 61 -0.946 1.115 6.910 513 HE21 GLN 61 1HE2 GLN 61 -0.197 -0.874 7.608 514 HE22 GLN 61 2HE2 GLN 61 0.040 -1.241 9.279 515 H MET 62 H MET 62 -0.552 0.342 4.326 516 HA MET 62 HA MET 62 -0.234 -2.189 5.668 517 HB2 MET 62 2HB MET 62 -1.842 -1.670 3.171 518 HB3 MET 62 3HB MET 62 -2.075 -2.942 4.363 519 HG2 MET 62 2HG MET 62 -2.496 0.000 4.839 520 HG3 MET 62 3HG MET 62 -3.764 -1.186 4.536 521 HE1 MET 62 3HE MET 62 -4.798 -2.608 6.062 522 HE2 MET 62 1HE MET 62 -3.446 -3.687 6.408 523 HE3 MET 62 2HE MET 62 -4.352 -2.957 7.733 524 H SER 63 H SER 63 -0.181 -1.399 2.190 525 HA SER 63 HA SER 63 1.016 -2.262 0.457 526 HB2 SER 63 2HB SER 63 3.222 -2.823 2.435 527 HB3 SER 63 3HB SER 63 3.365 -2.408 0.727 528 HG SER 63 HG SER 63 3.802 -0.663 2.244 529 H ALA 64 H ALA 64 -0.590 -4.056 2.227 530 HA ALA 64 HA ALA 64 -0.093 -6.483 0.927 531 HB1 ALA 64 1HB ALA 64 0.583 -7.751 3.095 532 HB2 ALA 64 2HB ALA 64 1.820 -6.938 2.135 533 HB3 ALA 64 3HB ALA 64 1.202 -6.179 3.602 534 H GLY 65 H GLY 65 -2.340 -4.943 1.437 535 HA2 GLY 65 2HA GLY 65 -3.860 -6.667 3.296 536 HA3 GLY 65 3HA GLY 65 -4.204 -4.958 3.072 537 H ALA 66 H ALA 66 -5.296 -7.936 2.349 538 HA ALA 66 HA ALA 66 -5.936 -7.823 -0.385 539 HB1 ALA 66 1HB ALA 66 -6.743 -9.849 0.028 540 HB2 ALA 66 2HB ALA 66 -6.374 -9.598 1.734 541 HB3 ALA 66 3HB ALA 66 -7.973 -9.193 1.109 542 H THR 67 H THR 67 -7.539 -6.871 -1.509 543 HA THR 67 HA THR 67 -9.567 -5.364 0.010 544 HB THR 67 HB THR 67 -9.261 -4.101 -2.488 545 HG1 THR 67 HG1 THR 67 -6.835 -4.967 -1.370 546 HG21 THR 67 3HG2 THR 67 -9.869 -3.118 -0.265 547 HG22 THR 67 1HG2 THR 67 -8.685 -2.181 -1.176 548 HG23 THR 67 2HG2 THR 67 -8.162 -3.192 0.171 549 H PHE 68 H PHE 68 -11.649 -5.436 -0.715 550 HA PHE 68 HA PHE 68 -12.175 -6.965 -3.172 551 HB2 PHE 68 2HB PHE 68 -12.662 -8.561 -1.525 552 HB3 PHE 68 3HB PHE 68 -13.342 -7.361 -0.431 553 HD1 PHE 68 HD2 PHE 68 -13.967 -8.678 -3.870 554 HD2 PHE 68 HD1 PHE 68 -15.614 -7.385 -0.164 555 HE1 PHE 68 HE2 PHE 68 -16.223 -9.219 -4.688 556 HE2 PHE 68 HE1 PHE 68 -17.873 -7.925 -0.976 557 HZ PHE 68 HZ PHE 68 -18.180 -8.842 -3.241 558 H HIS 69 H HIS 69 -13.149 -5.648 -4.554 559 HA HIS 69 HA HIS 69 -14.770 -3.433 -3.576 560 HB2 HIS 69 2HB HIS 69 -13.686 -4.166 -6.293 561 HB3 HIS 69 3HB HIS 69 -14.847 -2.860 -6.069 562 HD1 HIS 69 HD1 HIS 69 -11.808 -3.672 -3.940 563 HD2 HIS 69 HD2 HIS 69 -13.295 -0.653 -6.376 564 HE1 HIS 69 HE1 HIS 69 -10.180 -1.768 -3.721 565 H MET 70 H MET 70 -16.934 -3.135 -4.052 566 HA MET 70 HA MET 70 -18.323 -5.410 -5.301 567 HB2 MET 70 2HB MET 70 -18.621 -5.572 -2.893 568 HB3 MET 70 3HB MET 70 -19.157 -3.899 -2.819 569 HG2 MET 70 2HG MET 70 -21.245 -4.454 -3.309 570 HG3 MET 70 3HG MET 70 -20.738 -5.434 -4.683 571 HE1 MET 70 3HE MET 70 -22.333 -5.123 -1.605 572 HE2 MET 70 1HE MET 70 -22.627 -6.750 -0.988 573 HE3 MET 70 2HE MET 70 -21.177 -5.871 -0.502 574 H VAL 71 H VAL 71 -19.670 -4.869 -6.893 575 HA VAL 71 HA VAL 71 -20.739 -2.133 -6.984 576 HB VAL 71 HB VAL 71 -19.566 -3.590 -9.356 577 HG11 VAL 71 1HG1 VAL 71 -21.469 -2.229 -9.985 578 HG12 VAL 71 2HG1 VAL 71 -20.795 -0.845 -9.122 579 HG13 VAL 71 3HG1 VAL 71 -19.978 -1.477 -10.552 580 HG21 VAL 71 3HG2 VAL 71 -17.608 -2.706 -8.792 581 HG22 VAL 71 1HG2 VAL 71 -18.318 -1.096 -8.901 582 HG23 VAL 71 2HG2 VAL 71 -18.332 -1.964 -7.366 583 H VAL 72 H VAL 72 -22.870 -2.370 -6.815 584 HA VAL 72 HA VAL 72 -24.161 -4.606 -8.231 585 HB VAL 72 HB VAL 72 -24.633 -4.733 -5.894 586 HG11 VAL 72 1HG1 VAL 72 -24.597 -1.871 -6.058 587 HG12 VAL 72 2HG1 VAL 72 -26.086 -2.412 -5.281 588 HG13 VAL 72 3HG1 VAL 72 -24.522 -2.908 -4.634 589 HG21 VAL 72 3HG2 VAL 72 -26.584 -4.567 -7.821 590 HG22 VAL 72 1HG2 VAL 72 -26.807 -5.171 -6.179 591 HG23 VAL 72 2HG2 VAL 72 -27.186 -3.491 -6.560 592 H ALA 73 H ALA 73 -24.867 -3.954 -10.162 593 HA ALA 73 HA ALA 73 -26.368 -1.421 -10.299 594 HB1 ALA 73 1HB ALA 73 -25.537 -1.043 -12.531 595 HB2 ALA 73 2HB ALA 73 -24.176 -1.249 -11.427 596 HB3 ALA 73 3HB ALA 73 -24.652 -2.569 -12.496 597 H LEU 74 H LEU 74 -28.315 -2.579 -9.952 598 HA LEU 74 HA LEU 74 -29.108 -4.369 -12.149 599 HB2 LEU 74 2HB LEU 74 -29.737 -4.266 -9.265 600 HB3 LEU 74 3HB LEU 74 -31.064 -4.707 -10.337 601 HG LEU 74 HG LEU 74 -29.293 -6.428 -11.266 602 HD11 LEU 74 1HD1 LEU 74 -27.402 -5.763 -9.991 603 HD12 LEU 74 2HD1 LEU 74 -27.948 -7.309 -9.342 604 HD13 LEU 74 3HD1 LEU 74 -28.319 -5.813 -8.485 605 HD21 LEU 74 3HD2 LEU 74 -31.498 -6.875 -10.166 606 HD22 LEU 74 1HD2 LEU 74 -30.650 -6.909 -8.620 607 HD23 LEU 74 2HD2 LEU 74 -30.260 -8.096 -9.865 608 H ARG 75 H ARG 75 -29.931 -1.467 -10.384 609 HA ARG 75 HA ARG 75 -32.513 -1.075 -11.464 610 HB2 ARG 75 2HB ARG 75 -30.553 0.997 -10.459 611 HB3 ARG 75 3HB ARG 75 -32.280 1.234 -10.688 612 HG2 ARG 75 2HG ARG 75 -32.832 0.094 -8.805 613 HG3 ARG 75 3HG ARG 75 -31.437 -0.983 -8.916 614 HD2 ARG 75 2HD ARG 75 -31.068 0.407 -7.034 615 HD3 ARG 75 3HD ARG 75 -30.005 0.998 -8.311 616 HE ARG 75 HE ARG 75 -31.118 2.984 -8.236 617 HH11 ARG 75 1HH1 ARG 75 -33.149 0.523 -6.844 618 HH12 ARG 75 2HH1 ARG 75 -34.384 1.635 -6.354 619 HH21 ARG 75 1HH2 ARG 75 -32.737 4.458 -7.595 620 HH22 ARG 75 2HH2 ARG 75 -34.149 3.873 -6.783 621 H ALA 76 H ALA 76 -32.845 1.166 -12.707 622 HA ALA 76 HA ALA 76 -31.888 0.723 -15.332 623 HB1 ALA 76 1HB ALA 76 -33.626 2.008 -15.828 624 HB2 ALA 76 2HB ALA 76 -33.879 2.300 -14.107 625 HB3 ALA 76 3HB ALA 76 -32.861 3.392 -15.047 626 H GLY 77 H GLY 77 -31.216 3.088 -16.440 627 HA2 GLY 77 2HA GLY 77 -29.626 4.965 -15.711 628 HA3 GLY 77 3HA GLY 77 -28.605 3.634 -15.189 629 H CYS 78 H CYS 78 -30.179 5.054 -18.022 630 HA CYS 78 HA CYS 78 -29.601 5.107 -20.220 631 HB2 CYS 78 2HB CYS 78 -27.360 5.774 -18.867 632 HB3 CYS 78 3HB CYS 78 -26.782 4.348 -19.720 633 HG CYS 78 HG CYS 78 -25.967 6.452 -21.261 Start of MODEL 5 1 H MET 1 H MET 1 1.632 -0.066 0.792 2 HA MET 1 HA MET 1 1.935 1.070 -1.680 3 HB2 MET 1 2HB MET 1 3.675 -0.011 -0.067 4 HB3 MET 1 3HB MET 1 3.410 -1.459 -1.029 5 HG2 MET 1 2HG MET 1 4.648 -0.697 -2.709 6 HG3 MET 1 3HG MET 1 3.878 0.888 -2.667 7 HE1 MET 1 3HE MET 1 6.122 -1.527 -1.102 8 HE2 MET 1 1HE MET 1 7.657 -0.716 -1.419 9 HE3 MET 1 2HE MET 1 6.938 -0.644 0.190 10 H LEU 2 H LEU 2 1.722 -2.465 -1.239 11 HA LEU 2 HA LEU 2 0.526 -2.635 -3.919 12 HB2 LEU 2 2HB LEU 2 2.524 -3.887 -3.841 13 HB3 LEU 2 3HB LEU 2 2.112 -4.586 -2.277 14 HG LEU 2 HG LEU 2 0.164 -5.286 -4.304 15 HD11 LEU 2 1HD1 LEU 2 3.021 -5.503 -4.984 16 HD12 LEU 2 2HD1 LEU 2 1.601 -5.465 -6.029 17 HD13 LEU 2 3HD1 LEU 2 2.060 -6.963 -5.220 18 HD21 LEU 2 3HD2 LEU 2 1.929 -7.294 -3.045 19 HD22 LEU 2 1HD2 LEU 2 0.172 -7.259 -3.199 20 HD23 LEU 2 2HD2 LEU 2 0.968 -6.294 -1.955 21 H LEU 3 H LEU 3 -1.547 -3.156 -4.091 22 HA LEU 3 HA LEU 3 -2.798 -4.793 -2.008 23 HB2 LEU 3 2HB LEU 3 -4.506 -3.334 -1.559 24 HB3 LEU 3 3HB LEU 3 -3.156 -2.224 -1.780 25 HG LEU 3 HG LEU 3 -5.187 -2.860 -3.917 26 HD11 LEU 3 1HD1 LEU 3 -5.222 -0.197 -2.725 27 HD12 LEU 3 2HD1 LEU 3 -5.705 -1.478 -1.614 28 HD13 LEU 3 3HD1 LEU 3 -6.555 -1.272 -3.145 29 HD21 LEU 3 3HD2 LEU 3 -3.784 -1.790 -5.261 30 HD22 LEU 3 1HD2 LEU 3 -2.667 -1.513 -3.924 31 HD23 LEU 3 2HD2 LEU 3 -3.950 -0.350 -4.255 32 H LYS 4 H LYS 4 -4.574 -6.016 -2.692 33 HA LYS 4 HA LYS 4 -4.854 -6.202 -5.618 34 HB2 LYS 4 2HB LYS 4 -3.949 -8.236 -4.775 35 HB3 LYS 4 3HB LYS 4 -5.105 -8.283 -3.451 36 HG2 LYS 4 2HG LYS 4 -6.421 -8.245 -6.030 37 HG3 LYS 4 3HG LYS 4 -5.307 -9.605 -5.869 38 HD2 LYS 4 2HD LYS 4 -7.285 -8.928 -3.713 39 HD3 LYS 4 3HD LYS 4 -7.730 -9.936 -5.092 40 HE2 LYS 4 2HE LYS 4 -5.386 -10.507 -3.287 41 HE3 LYS 4 3HE LYS 4 -6.994 -11.188 -3.044 42 HZ1 LYS 4 3HZ LYS 4 -6.254 -11.616 -5.707 43 HZ2 LYS 4 1HZ LYS 4 -6.501 -12.767 -4.492 44 HZ3 LYS 4 2HZ LYS 4 -4.962 -12.108 -4.732 45 H VAL 5 H VAL 5 -6.646 -5.223 -6.290 46 HA VAL 5 HA VAL 5 -9.038 -5.284 -4.590 47 HB VAL 5 HB VAL 5 -9.914 -3.512 -6.064 48 HG11 VAL 5 1HG1 VAL 5 -7.220 -3.068 -4.801 49 HG12 VAL 5 2HG1 VAL 5 -8.216 -1.754 -5.428 50 HG13 VAL 5 3HG1 VAL 5 -8.812 -2.761 -4.108 51 HG21 VAL 5 3HG2 VAL 5 -9.080 -3.367 -8.126 52 HG22 VAL 5 1HG2 VAL 5 -7.672 -2.583 -7.410 53 HG23 VAL 5 2HG2 VAL 5 -7.662 -4.323 -7.694 54 H LYS 6 H LYS 6 -10.715 -6.532 -5.086 55 HA LYS 6 HA LYS 6 -10.969 -7.526 -7.846 56 HB2 LYS 6 2HB LYS 6 -11.828 -9.667 -6.867 57 HB3 LYS 6 3HB LYS 6 -10.123 -9.363 -6.563 58 HG2 LYS 6 2HG LYS 6 -11.410 -8.237 -4.383 59 HG3 LYS 6 3HG LYS 6 -12.298 -9.730 -4.697 60 HD2 LYS 6 2HD LYS 6 -9.723 -10.569 -4.959 61 HD3 LYS 6 3HD LYS 6 -9.559 -9.327 -3.715 62 HE2 LYS 6 2HE LYS 6 -11.608 -10.512 -2.639 63 HE3 LYS 6 3HE LYS 6 -11.140 -11.868 -3.665 64 HZ1 LYS 6 3HZ LYS 6 -9.239 -10.527 -1.831 65 HZ2 LYS 6 1HZ LYS 6 -9.061 -12.021 -2.605 66 HZ3 LYS 6 2HZ LYS 6 -10.186 -11.845 -1.354 67 H THR 7 H THR 7 -12.846 -7.011 -8.739 68 HA THR 7 HA THR 7 -14.997 -5.974 -7.093 69 HB THR 7 HB THR 7 -16.015 -5.204 -9.097 70 HG1 THR 7 HG1 THR 7 -14.431 -7.195 -10.286 71 HG21 THR 7 3HG2 THR 7 -13.310 -4.793 -10.120 72 HG22 THR 7 1HG2 THR 7 -13.462 -4.469 -8.394 73 HG23 THR 7 2HG2 THR 7 -14.492 -3.618 -9.545 74 H VAL 8 H VAL 8 -17.288 -6.615 -7.758 75 HA VAL 8 HA VAL 8 -17.649 -9.366 -7.208 76 HB VAL 8 HB VAL 8 -19.276 -7.559 -6.612 77 HG11 VAL 8 1HG1 VAL 8 -20.881 -6.824 -8.293 78 HG12 VAL 8 2HG1 VAL 8 -19.240 -6.363 -8.749 79 HG13 VAL 8 3HG1 VAL 8 -20.020 -7.738 -9.530 80 HG21 VAL 8 3HG2 VAL 8 -20.998 -9.366 -8.108 81 HG22 VAL 8 1HG2 VAL 8 -19.717 -10.205 -7.234 82 HG23 VAL 8 2HG2 VAL 8 -20.828 -9.147 -6.366 83 H SER 9 H SER 9 -16.938 -7.760 -10.079 84 HA SER 9 HA SER 9 -18.312 -9.641 -11.815 85 HB2 SER 9 2HB SER 9 -16.861 -7.085 -12.161 86 HB3 SER 9 3HB SER 9 -16.717 -8.230 -13.494 87 HG SER 9 HG SER 9 -19.175 -8.343 -13.109 88 H ASN 10 H ASN 10 -15.882 -10.145 -9.909 89 HA ASN 10 HA ASN 10 -14.168 -11.641 -9.854 90 HB2 ASN 10 2HB ASN 10 -15.898 -12.672 -11.743 91 HB3 ASN 10 3HB ASN 10 -14.366 -12.607 -12.609 92 HD21 ASN 10 1HD2 ASN 10 -15.739 -13.624 -9.508 93 HD22 ASN 10 2HD2 ASN 10 -14.747 -15.028 -9.332 94 H LYS 11 H LYS 11 -13.713 -8.953 -10.663 95 HA LYS 11 HA LYS 11 -11.510 -9.251 -12.593 96 HB2 LYS 11 2HB LYS 11 -13.164 -6.860 -11.792 97 HB3 LYS 11 3HB LYS 11 -11.668 -6.709 -12.704 98 HG2 LYS 11 2HG LYS 11 -12.682 -8.245 -14.416 99 HG3 LYS 11 3HG LYS 11 -14.208 -8.077 -13.546 100 HD2 LYS 11 2HD LYS 11 -13.997 -5.598 -13.833 101 HD3 LYS 11 3HD LYS 11 -12.607 -5.896 -14.878 102 HE2 LYS 11 2HE LYS 11 -14.336 -7.515 -16.073 103 HE3 LYS 11 3HE LYS 11 -15.496 -6.399 -15.356 104 HZ1 LYS 11 3HZ LYS 11 -13.263 -5.144 -16.700 105 HZ2 LYS 11 1HZ LYS 11 -14.912 -4.766 -16.752 106 HZ3 LYS 11 2HZ LYS 11 -14.300 -6.014 -17.716 107 H VAL 12 H VAL 12 -9.942 -9.982 -11.153 108 HA VAL 12 HA VAL 12 -9.302 -8.326 -8.836 109 HB VAL 12 HB VAL 12 -7.965 -10.877 -9.746 110 HG11 VAL 12 1HG1 VAL 12 -7.546 -10.800 -7.116 111 HG12 VAL 12 2HG1 VAL 12 -6.449 -10.042 -8.273 112 HG13 VAL 12 3HG1 VAL 12 -7.647 -9.066 -7.422 113 HG21 VAL 12 3HG2 VAL 12 -9.519 -11.276 -7.417 114 HG22 VAL 12 1HG2 VAL 12 -10.548 -10.481 -8.608 115 HG23 VAL 12 2HG2 VAL 12 -9.738 -11.995 -9.012 116 H ILE 13 H ILE 13 -7.558 -7.027 -8.686 117 HA ILE 13 HA ILE 13 -5.559 -7.106 -10.837 118 HB ILE 13 HB ILE 13 -6.731 -4.536 -9.774 119 HG12 ILE 13 2HG1 ILE 13 -8.386 -5.821 -11.103 120 HG13 ILE 13 3HG1 ILE 13 -7.904 -4.323 -11.892 121 HG21 ILE 13 1HG2 ILE 13 -4.888 -5.088 -12.097 122 HG22 ILE 13 2HG2 ILE 13 -5.517 -3.509 -11.627 123 HG23 ILE 13 3HG2 ILE 13 -4.422 -4.378 -10.552 124 HD11 ILE 13 3HD1 ILE 13 -8.097 -6.530 -13.251 125 HD12 ILE 13 1HD1 ILE 13 -6.768 -5.413 -13.559 126 HD13 ILE 13 2HD1 ILE 13 -6.499 -6.856 -12.581 127 H GLN 14 H GLN 14 -3.575 -7.237 -10.039 128 HA GLN 14 HA GLN 14 -3.113 -6.366 -7.270 129 HB2 GLN 14 2HB GLN 14 -1.146 -7.882 -7.335 130 HB3 GLN 14 3HB GLN 14 -2.674 -8.717 -7.586 131 HG2 GLN 14 2HG GLN 14 -1.727 -7.976 -10.131 132 HG3 GLN 14 3HG GLN 14 -0.359 -8.654 -9.249 133 HE21 GLN 14 1HE2 GLN 14 -0.642 -10.772 -8.293 134 HE22 GLN 14 2HE2 GLN 14 -1.694 -11.911 -9.055 135 H ILE 15 H ILE 15 -2.124 -4.479 -7.068 136 HA ILE 15 HA ILE 15 -0.140 -3.705 -9.106 137 HB ILE 15 HB ILE 15 -0.709 -1.435 -8.859 138 HG12 ILE 15 2HG1 ILE 15 -2.286 -2.295 -6.429 139 HG13 ILE 15 3HG1 ILE 15 -0.869 -1.252 -6.469 140 HG21 ILE 15 1HG2 ILE 15 -2.470 -3.174 -9.866 141 HG22 ILE 15 2HG2 ILE 15 -3.473 -2.455 -8.608 142 HG23 ILE 15 3HG2 ILE 15 -2.747 -1.433 -9.848 143 HD11 ILE 15 3HD1 ILE 15 -2.355 0.406 -6.363 144 HD12 ILE 15 1HD1 ILE 15 -2.588 0.098 -8.084 145 HD13 ILE 15 2HD1 ILE 15 -3.684 -0.620 -6.902 146 H THR 16 H THR 16 1.705 -2.525 -8.391 147 HA THR 16 HA THR 16 2.295 -2.834 -5.519 148 HB THR 16 HB THR 16 3.549 -4.521 -6.727 149 HG1 THR 16 HG1 THR 16 5.463 -4.031 -5.803 150 HG21 THR 16 3HG2 THR 16 5.364 -2.880 -8.216 151 HG22 THR 16 1HG2 THR 16 3.713 -2.545 -8.734 152 HG23 THR 16 2HG2 THR 16 4.335 -4.194 -8.785 153 H SER 17 H SER 17 1.254 -0.499 -6.189 154 HA SER 17 HA SER 17 3.298 1.365 -5.584 155 HB2 SER 17 2HB SER 17 4.003 1.453 -7.796 156 HB3 SER 17 3HB SER 17 2.385 1.161 -8.431 157 HG SER 17 HG SER 17 2.203 3.236 -8.593 158 H LEU 18 H LEU 18 1.800 1.794 -3.926 159 HA LEU 18 HA LEU 18 -0.690 3.114 -4.763 160 HB2 LEU 18 2HB LEU 18 0.121 1.564 -2.366 161 HB3 LEU 18 3HB LEU 18 -1.042 2.868 -2.139 162 HG LEU 18 HG LEU 18 -1.390 0.500 -3.978 163 HD11 LEU 18 1HD1 LEU 18 -1.810 -0.503 -2.001 164 HD12 LEU 18 2HD1 LEU 18 -3.367 0.305 -2.176 165 HD13 LEU 18 3HD1 LEU 18 -2.112 1.021 -1.165 166 HD21 LEU 18 3HD2 LEU 18 -3.832 1.759 -3.473 167 HD22 LEU 18 1HD2 LEU 18 -2.930 1.741 -4.989 168 HD23 LEU 18 2HD2 LEU 18 -2.700 3.061 -3.841 169 H THR 19 H THR 19 -1.311 5.089 -3.767 170 HA THR 19 HA THR 19 0.942 6.827 -3.231 171 HB THR 19 HB THR 19 -1.776 7.934 -2.938 172 HG1 THR 19 HG1 THR 19 -2.337 6.637 -4.611 173 HG21 THR 19 3HG2 THR 19 -0.039 9.008 -5.009 174 HG22 THR 19 1HG2 THR 19 0.768 8.894 -3.446 175 HG23 THR 19 2HG2 THR 19 -0.736 9.803 -3.598 176 H ASP 20 H ASP 20 0.392 8.609 -1.479 177 HA ASP 20 HA ASP 20 -0.453 7.217 0.977 178 HB2 ASP 20 2HB ASP 20 1.276 8.882 2.054 179 HB3 ASP 20 3HB ASP 20 1.821 7.361 1.353 180 H ASP 21 H ASP 21 -1.322 9.521 -1.103 181 HA ASP 21 HA ASP 21 -2.126 11.508 0.887 182 HB2 ASP 21 2HB ASP 21 -1.451 11.601 -1.899 183 HB3 ASP 21 3HB ASP 21 -3.087 12.217 -1.682 184 H ASN 22 H ASN 22 -3.588 9.537 -1.694 185 HA ASN 22 HA ASN 22 -6.157 9.747 -0.263 186 HB2 ASN 22 2HB ASN 22 -5.521 9.691 -3.197 187 HB3 ASN 22 3HB ASN 22 -7.091 9.137 -2.621 188 HD21 ASN 22 1HD2 ASN 22 -5.022 11.843 -3.139 189 HD22 ASN 22 2HD2 ASN 22 -6.180 13.072 -2.771 190 H THR 23 H THR 23 -4.089 7.635 -2.213 191 HA THR 23 HA THR 23 -3.854 5.372 -2.291 192 HB THR 23 HB THR 23 -5.178 5.545 0.420 193 HG1 THR 23 HG1 THR 23 -2.461 4.975 -0.151 194 HG21 THR 23 3HG2 THR 23 -4.032 3.217 -1.087 195 HG22 THR 23 1HG2 THR 23 -5.554 3.325 -0.203 196 HG23 THR 23 2HG2 THR 23 -4.027 3.250 0.676 197 H ILE 24 H ILE 24 -6.855 5.297 -0.426 198 HA ILE 24 HA ILE 24 -8.074 3.496 -2.274 199 HB ILE 24 HB ILE 24 -9.369 5.014 -0.006 200 HG12 ILE 24 2HG1 ILE 24 -9.063 2.488 0.914 201 HG13 ILE 24 3HG1 ILE 24 -7.628 2.621 -0.097 202 HG21 ILE 24 1HG2 ILE 24 -11.263 4.089 -0.697 203 HG22 ILE 24 2HG2 ILE 24 -10.418 3.267 -2.007 204 HG23 ILE 24 3HG2 ILE 24 -10.558 2.495 -0.428 205 HD11 ILE 24 3HD1 ILE 24 -7.918 3.486 2.516 206 HD12 ILE 24 1HD1 ILE 24 -6.594 3.863 1.414 207 HD13 ILE 24 2HD1 ILE 24 -7.967 4.961 1.551 208 H ALA 25 H ALA 25 -8.697 6.884 -1.382 209 HA ALA 25 HA ALA 25 -10.846 7.340 -3.105 210 HB1 ALA 25 1HB ALA 25 -9.492 8.827 -1.259 211 HB2 ALA 25 2HB ALA 25 -9.062 9.633 -2.768 212 HB3 ALA 25 3HB ALA 25 -10.758 9.437 -2.325 213 H GLU 26 H GLU 26 -7.369 7.517 -3.668 214 HA GLU 26 HA GLU 26 -7.534 8.681 -6.251 215 HB2 GLU 26 2HB GLU 26 -5.474 8.803 -4.987 216 HB3 GLU 26 3HB GLU 26 -5.355 7.050 -4.940 217 HG2 GLU 26 2HG GLU 26 -4.192 7.072 -6.814 218 HG3 GLU 26 3HG GLU 26 -5.544 7.826 -7.655 219 H LEU 27 H LEU 27 -7.380 5.350 -5.086 220 HA LEU 27 HA LEU 27 -7.133 4.128 -7.624 221 HB2 LEU 27 2HB LEU 27 -7.342 3.311 -4.911 222 HB3 LEU 27 3HB LEU 27 -8.543 2.418 -5.843 223 HG LEU 27 HG LEU 27 -5.646 2.528 -6.643 224 HD11 LEU 27 1HD1 LEU 27 -5.068 1.108 -5.043 225 HD12 LEU 27 2HD1 LEU 27 -6.407 0.035 -5.451 226 HD13 LEU 27 3HD1 LEU 27 -6.650 1.352 -4.303 227 HD21 LEU 27 3HD2 LEU 27 -6.604 1.600 -8.451 228 HD22 LEU 27 1HD2 LEU 27 -8.082 1.184 -7.583 229 HD23 LEU 27 2HD2 LEU 27 -6.661 0.147 -7.452 230 H LYS 28 H LYS 28 -9.957 4.693 -5.534 231 HA LYS 28 HA LYS 28 -11.853 3.591 -7.313 232 HB2 LYS 28 2HB LYS 28 -13.528 4.671 -5.920 233 HB3 LYS 28 3HB LYS 28 -12.286 3.940 -4.911 234 HG2 LYS 28 2HG LYS 28 -11.228 6.167 -4.680 235 HG3 LYS 28 3HG LYS 28 -12.576 6.860 -5.584 236 HD2 LYS 28 2HD LYS 28 -12.832 5.324 -2.999 237 HD3 LYS 28 3HD LYS 28 -12.842 7.084 -3.136 238 HE2 LYS 28 2HE LYS 28 -15.044 6.965 -3.424 239 HE3 LYS 28 3HE LYS 28 -14.735 6.203 -4.983 240 HZ1 LYS 28 3HZ LYS 28 -15.880 5.078 -2.662 241 HZ2 LYS 28 1HZ LYS 28 -14.478 4.221 -3.064 242 HZ3 LYS 28 2HZ LYS 28 -15.718 4.396 -4.201 243 H GLY 29 H GLY 29 -10.612 6.869 -6.863 244 HA2 GLY 29 2HA GLY 29 -12.428 8.140 -8.633 245 HA3 GLY 29 3HA GLY 29 -10.881 8.785 -8.103 246 H LYS 30 H LYS 30 -9.351 6.526 -9.122 247 HA LYS 30 HA LYS 30 -9.003 7.470 -11.804 248 HB2 LYS 30 2HB LYS 30 -7.638 5.500 -10.030 249 HB3 LYS 30 3HB LYS 30 -7.375 5.368 -11.764 250 HG2 LYS 30 2HG LYS 30 -7.088 8.098 -10.950 251 HG3 LYS 30 3HG LYS 30 -6.074 7.058 -9.947 252 HD2 LYS 30 2HD LYS 30 -6.092 6.637 -12.898 253 HD3 LYS 30 3HD LYS 30 -5.198 8.010 -12.240 254 HE2 LYS 30 2HE LYS 30 -3.519 6.656 -11.714 255 HE3 LYS 30 3HE LYS 30 -4.590 5.744 -10.652 256 HZ1 LYS 30 3HZ LYS 30 -4.699 5.198 -13.527 257 HZ2 LYS 30 1HZ LYS 30 -4.946 4.152 -12.220 258 HZ3 LYS 30 2HZ LYS 30 -3.375 4.606 -12.656 259 H LEU 31 H LEU 31 -10.360 4.592 -10.301 260 HA LEU 31 HA LEU 31 -10.678 3.107 -12.700 261 HB2 LEU 31 2HB LEU 31 -10.733 2.337 -10.223 262 HB3 LEU 31 3HB LEU 31 -12.440 2.767 -10.305 263 HG LEU 31 HG LEU 31 -11.200 0.836 -12.245 264 HD11 LEU 31 1HD1 LEU 31 -11.756 -0.985 -10.847 265 HD12 LEU 31 2HD1 LEU 31 -12.591 0.057 -9.696 266 HD13 LEU 31 3HD1 LEU 31 -10.836 0.139 -9.846 267 HD21 LEU 31 3HD2 LEU 31 -13.975 1.590 -11.406 268 HD22 LEU 31 1HD2 LEU 31 -13.643 0.020 -12.137 269 HD23 LEU 31 2HD2 LEU 31 -13.286 1.500 -13.027 270 H GLU 32 H GLU 32 -12.850 5.189 -10.822 271 HA GLU 32 HA GLU 32 -15.114 4.796 -12.484 272 HB2 GLU 32 2HB GLU 32 -16.015 6.808 -11.341 273 HB3 GLU 32 3HB GLU 32 -15.405 5.593 -10.226 274 HG2 GLU 32 2HG GLU 32 -14.503 7.444 -9.283 275 HG3 GLU 32 3HG GLU 32 -13.206 7.038 -10.405 276 H GLU 33 H GLU 33 -12.521 7.189 -12.433 277 HA GLU 33 HA GLU 33 -13.623 8.880 -14.425 278 HB2 GLU 33 2HB GLU 33 -11.782 9.440 -12.753 279 HB3 GLU 33 3HB GLU 33 -10.687 8.572 -13.819 280 HG2 GLU 33 2HG GLU 33 -11.339 10.117 -15.650 281 HG3 GLU 33 3HG GLU 33 -12.282 11.035 -14.478 282 H SER 34 H SER 34 -11.531 6.062 -14.516 283 HA SER 34 HA SER 34 -10.705 6.270 -17.200 284 HB2 SER 34 2HB SER 34 -9.615 4.773 -15.575 285 HB3 SER 34 3HB SER 34 -11.069 3.777 -15.519 286 HG SER 34 HG SER 34 -10.151 2.754 -17.108 287 H GLU 35 H GLU 35 -13.446 4.586 -15.704 288 HA GLU 35 HA GLU 35 -14.442 3.681 -18.260 289 HB2 GLU 35 2HB GLU 35 -15.340 3.413 -15.415 290 HB3 GLU 35 3HB GLU 35 -16.466 3.058 -16.718 291 HG2 GLU 35 2HG GLU 35 -13.774 1.795 -16.767 292 HG3 GLU 35 3HG GLU 35 -14.989 1.179 -15.648 293 H GLY 36 H GLY 36 -14.506 6.581 -16.656 294 HA2 GLY 36 2HA GLY 36 -15.555 8.521 -17.479 295 HA3 GLY 36 3HA GLY 36 -16.726 7.509 -18.311 296 H ILE 37 H ILE 37 -17.645 5.929 -16.243 297 HA ILE 37 HA ILE 37 -18.624 7.796 -14.208 298 HB ILE 37 HB ILE 37 -20.930 6.762 -14.493 299 HG12 ILE 37 2HG1 ILE 37 -20.100 6.222 -17.323 300 HG13 ILE 37 3HG1 ILE 37 -19.874 4.980 -16.096 301 HG21 ILE 37 1HG2 ILE 37 -21.552 8.600 -15.636 302 HG22 ILE 37 2HG2 ILE 37 -19.851 9.033 -15.474 303 HG23 ILE 37 3HG2 ILE 37 -20.433 8.284 -16.961 304 HD11 ILE 37 3HD1 ILE 37 -22.533 6.292 -16.427 305 HD12 ILE 37 1HD1 ILE 37 -22.030 5.000 -17.517 306 HD13 ILE 37 2HD1 ILE 37 -22.140 4.698 -15.783 307 HA PRO 38 HA PRO 38 -18.086 4.451 -11.416 308 HB2 PRO 38 2HB PRO 38 -20.042 4.955 -9.602 309 HB3 PRO 38 3HB PRO 38 -18.576 5.934 -9.730 310 HG2 PRO 38 2HG PRO 38 -21.312 6.470 -10.819 311 HG3 PRO 38 3HG PRO 38 -20.190 7.583 -10.015 312 HD2 PRO 38 2HD PRO 38 -20.492 7.509 -12.705 313 HD3 PRO 38 3HD PRO 38 -18.946 7.910 -11.928 314 H GLY 39 H GLY 39 -18.739 2.372 -11.155 315 HA2 GLY 39 2HA GLY 39 -20.621 1.204 -12.799 316 HA3 GLY 39 3HA GLY 39 -20.025 0.474 -11.315 317 H ASN 40 H ASN 40 -21.041 2.182 -9.408 318 HA ASN 40 HA ASN 40 -23.688 2.959 -9.638 319 HB2 ASN 40 2HB ASN 40 -23.439 0.130 -9.702 320 HB3 ASN 40 3HB ASN 40 -24.137 0.559 -8.142 321 HD21 ASN 40 1HD2 ASN 40 -24.701 0.129 -11.441 322 HD22 ASN 40 2HD2 ASN 40 -26.328 0.708 -11.490 323 H MET 41 H MET 41 -22.196 0.775 -7.247 324 HA MET 41 HA MET 41 -22.565 2.877 -5.228 325 HB2 MET 41 2HB MET 41 -22.449 -0.115 -5.090 326 HB3 MET 41 3HB MET 41 -22.074 0.842 -3.663 327 HG2 MET 41 2HG MET 41 -24.346 2.006 -4.206 328 HG3 MET 41 3HG MET 41 -24.657 0.525 -5.109 329 HE1 MET 41 3HE MET 41 -26.830 0.857 -2.811 330 HE2 MET 41 1HE MET 41 -26.514 -0.370 -4.038 331 HE3 MET 41 2HE MET 41 -26.700 -0.840 -2.348 332 H ILE 42 H ILE 42 -20.204 0.573 -6.499 333 HA ILE 42 HA ILE 42 -17.939 0.422 -6.288 334 HB ILE 42 HB ILE 42 -17.975 3.407 -5.887 335 HG12 ILE 42 2HG1 ILE 42 -19.462 2.893 -7.752 336 HG13 ILE 42 3HG1 ILE 42 -17.967 3.603 -8.351 337 HG21 ILE 42 1HG2 ILE 42 -15.780 2.785 -5.725 338 HG22 ILE 42 2HG2 ILE 42 -15.983 1.387 -6.779 339 HG23 ILE 42 3HG2 ILE 42 -15.909 3.008 -7.469 340 HD11 ILE 42 3HD1 ILE 42 -17.608 1.852 -9.645 341 HD12 ILE 42 1HD1 ILE 42 -17.716 0.756 -8.268 342 HD13 ILE 42 2HD1 ILE 42 -19.175 1.212 -9.150 343 H ARG 43 H ARG 43 -18.975 -0.357 -3.998 344 HA ARG 43 HA ARG 43 -17.419 1.034 -1.917 345 HB2 ARG 43 2HB ARG 43 -19.993 -0.529 -1.665 346 HB3 ARG 43 3HB ARG 43 -19.050 0.046 -0.296 347 HG2 ARG 43 2HG ARG 43 -19.872 2.024 -2.351 348 HG3 ARG 43 3HG ARG 43 -21.101 1.403 -1.246 349 HD2 ARG 43 2HD ARG 43 -19.052 1.952 0.462 350 HD3 ARG 43 3HD ARG 43 -18.852 3.220 -0.747 351 HE ARG 43 HE ARG 43 -20.750 4.216 0.044 352 HH11 ARG 43 1HH1 ARG 43 -20.651 0.922 1.166 353 HH12 ARG 43 2HH1 ARG 43 -22.025 1.098 2.208 354 HH21 ARG 43 1HH2 ARG 43 -22.559 4.461 1.412 355 HH22 ARG 43 2HH2 ARG 43 -23.110 3.111 2.346 356 H LEU 44 H LEU 44 -15.689 -0.058 -1.287 357 HA LEU 44 HA LEU 44 -15.670 -2.982 -1.581 358 HB2 LEU 44 2HB LEU 44 -13.222 -2.789 -1.462 359 HB3 LEU 44 3HB LEU 44 -13.917 -1.880 -2.803 360 HG LEU 44 HG LEU 44 -13.363 -0.420 -0.272 361 HD11 LEU 44 1HD1 LEU 44 -11.040 -0.160 -1.778 362 HD12 LEU 44 2HD1 LEU 44 -11.352 -1.895 -1.725 363 HD13 LEU 44 3HD1 LEU 44 -11.215 -0.978 -0.225 364 HD21 LEU 44 3HD2 LEU 44 -12.594 0.597 -2.930 365 HD22 LEU 44 1HD2 LEU 44 -13.423 1.403 -1.598 366 HD23 LEU 44 2HD2 LEU 44 -14.319 0.331 -2.674 367 H VAL 45 H VAL 45 -14.676 -4.265 0.092 368 HA VAL 45 HA VAL 45 -14.926 -3.031 2.759 369 HB VAL 45 HB VAL 45 -15.328 -5.949 2.097 370 HG11 VAL 45 1HG1 VAL 45 -16.161 -4.450 4.568 371 HG12 VAL 45 2HG1 VAL 45 -16.108 -6.195 4.315 372 HG13 VAL 45 3HG1 VAL 45 -14.608 -5.274 4.427 373 HG21 VAL 45 3HG2 VAL 45 -17.311 -5.364 1.264 374 HG22 VAL 45 1HG2 VAL 45 -17.761 -4.883 2.900 375 HG23 VAL 45 2HG2 VAL 45 -17.110 -3.688 1.777 376 H TYR 46 H TYR 46 -13.071 -2.830 3.808 377 HA TYR 46 HA TYR 46 -10.825 -4.572 3.076 378 HB2 TYR 46 2HB TYR 46 -10.909 -1.856 3.291 379 HB3 TYR 46 3HB TYR 46 -10.317 -2.302 4.887 380 HD1 TYR 46 HD1 TYR 46 -8.670 -4.672 4.242 381 HD2 TYR 46 HD2 TYR 46 -9.045 -0.947 2.221 382 HE1 TYR 46 HE1 TYR 46 -6.404 -4.947 3.327 383 HE2 TYR 46 HE2 TYR 46 -6.781 -1.212 1.299 384 HH TYR 46 HH TYR 46 -5.243 -3.431 0.803 385 H GLN 47 H GLN 47 -10.471 -6.253 4.351 386 HA GLN 47 HA GLN 47 -10.373 -7.611 6.174 387 HB2 GLN 47 2HB GLN 47 -9.045 -5.299 6.818 388 HB3 GLN 47 3HB GLN 47 -10.183 -5.450 8.150 389 HG2 GLN 47 2HG GLN 47 -9.156 -7.263 9.005 390 HG3 GLN 47 3HG GLN 47 -8.716 -7.898 7.420 391 HE21 GLN 47 1HE2 GLN 47 -6.636 -7.905 7.008 392 HE22 GLN 47 2HE2 GLN 47 -5.456 -6.833 7.673 393 H GLY 48 H GLY 48 -12.974 -6.736 5.333 394 HA2 GLY 48 2HA GLY 48 -15.108 -7.231 6.104 395 HA3 GLY 48 3HA GLY 48 -14.442 -7.454 7.715 396 H LYS 49 H LYS 49 -13.323 -4.559 6.580 397 HA LYS 49 HA LYS 49 -15.420 -3.108 8.038 398 HB2 LYS 49 2HB LYS 49 -12.562 -2.958 8.032 399 HB3 LYS 49 3HB LYS 49 -13.208 -1.419 7.479 400 HG2 LYS 49 2HG LYS 49 -13.692 -0.847 9.558 401 HG3 LYS 49 3HG LYS 49 -14.711 -2.277 9.740 402 HD2 LYS 49 2HD LYS 49 -11.716 -2.333 10.059 403 HD3 LYS 49 3HD LYS 49 -12.826 -2.055 11.403 404 HE2 LYS 49 2HE LYS 49 -12.845 -4.479 9.607 405 HE3 LYS 49 3HE LYS 49 -12.113 -4.413 11.210 406 HZ1 LYS 49 3HZ LYS 49 -14.775 -3.490 11.341 407 HZ2 LYS 49 1HZ LYS 49 -14.075 -4.821 12.117 408 HZ3 LYS 49 2HZ LYS 49 -14.749 -4.999 10.576 409 H GLN 50 H GLN 50 -16.133 -1.044 7.231 410 HA GLN 50 HA GLN 50 -16.001 -0.884 4.293 411 HB2 GLN 50 2HB GLN 50 -18.207 0.249 6.004 412 HB3 GLN 50 3HB GLN 50 -18.214 -0.022 4.267 413 HG2 GLN 50 2HG GLN 50 -19.400 -1.839 4.829 414 HG3 GLN 50 3HG GLN 50 -17.806 -2.534 5.118 415 HE21 GLN 50 1HE2 GLN 50 -18.327 -3.925 6.720 416 HE22 GLN 50 2HE2 GLN 50 -18.923 -3.443 8.268 417 H LEU 51 H LEU 51 -16.152 1.275 3.357 418 HA LEU 51 HA LEU 51 -15.437 3.419 3.115 419 HB2 LEU 51 2HB LEU 51 -15.700 3.819 6.070 420 HB3 LEU 51 3HB LEU 51 -15.974 4.971 4.765 421 HG LEU 51 HG LEU 51 -17.767 2.623 5.376 422 HD11 LEU 51 1HD1 LEU 51 -18.722 5.362 5.841 423 HD12 LEU 51 2HD1 LEU 51 -17.491 4.793 6.968 424 HD13 LEU 51 3HD1 LEU 51 -18.991 3.888 6.771 425 HD21 LEU 51 3HD2 LEU 51 -19.331 4.129 3.967 426 HD22 LEU 51 1HD2 LEU 51 -18.127 3.136 3.146 427 HD23 LEU 51 2HD2 LEU 51 -17.833 4.859 3.387 428 H GLU 52 H GLU 52 -13.338 3.313 2.552 429 HA GLU 52 HA GLU 52 -11.356 3.265 4.733 430 HB2 GLU 52 2HB GLU 52 -10.954 2.259 1.912 431 HB3 GLU 52 3HB GLU 52 -9.797 2.167 3.232 432 HG2 GLU 52 2HG GLU 52 -12.484 0.853 3.396 433 HG3 GLU 52 3HG GLU 52 -11.101 0.061 2.643 434 H ASP 53 H ASP 53 -12.788 5.189 2.500 435 HA ASP 53 HA ASP 53 -10.764 6.563 1.198 436 HB2 ASP 53 2HB ASP 53 -13.494 6.841 1.426 437 HB3 ASP 53 3HB ASP 53 -12.897 8.307 2.199 438 H GLU 54 H GLU 54 -12.013 6.996 4.476 439 HA GLU 54 HA GLU 54 -10.480 9.307 5.073 440 HB2 GLU 54 2HB GLU 54 -12.458 7.781 6.357 441 HB3 GLU 54 3HB GLU 54 -11.055 7.720 7.414 442 HG2 GLU 54 2HG GLU 54 -10.956 10.233 7.223 443 HG3 GLU 54 3HG GLU 54 -12.537 10.145 6.449 444 H LYS 55 H LYS 55 -9.737 5.958 4.933 445 HA LYS 55 HA LYS 55 -7.308 6.287 6.532 446 HB2 LYS 55 2HB LYS 55 -8.824 3.924 5.481 447 HB3 LYS 55 3HB LYS 55 -7.130 3.746 5.922 448 HG2 LYS 55 2HG LYS 55 -8.270 3.114 7.840 449 HG3 LYS 55 3HG LYS 55 -7.810 4.787 8.166 450 HD2 LYS 55 2HD LYS 55 -9.945 5.491 8.207 451 HD3 LYS 55 3HD LYS 55 -10.404 4.483 6.832 452 HE2 LYS 55 2HE LYS 55 -10.302 2.515 8.428 453 HE3 LYS 55 3HE LYS 55 -10.197 3.699 9.729 454 HZ1 LYS 55 3HZ LYS 55 -12.450 3.231 9.569 455 HZ2 LYS 55 1HZ LYS 55 -12.439 3.193 7.877 456 HZ3 LYS 55 2HZ LYS 55 -12.302 4.669 8.690 457 H ARG 56 H ARG 56 -7.411 7.700 4.097 458 HA ARG 56 HA ARG 56 -6.366 6.524 1.851 459 HB2 ARG 56 2HB ARG 56 -5.066 8.830 1.694 460 HB3 ARG 56 3HB ARG 56 -6.810 8.739 1.491 461 HG2 ARG 56 2HG ARG 56 -5.953 9.101 4.262 462 HG3 ARG 56 3HG ARG 56 -5.507 10.425 3.183 463 HD2 ARG 56 2HD ARG 56 -8.069 9.978 2.421 464 HD3 ARG 56 3HD ARG 56 -8.153 9.558 4.131 465 HE ARG 56 HE ARG 56 -6.805 11.993 3.896 466 HH11 ARG 56 1HH1 ARG 56 -9.983 10.670 3.379 467 HH12 ARG 56 2HH1 ARG 56 -10.799 12.164 3.697 468 HH21 ARG 56 1HH2 ARG 56 -7.868 13.967 4.317 469 HH22 ARG 56 2HH2 ARG 56 -9.595 14.039 4.230 470 H LEU 57 H LEU 57 -4.185 8.453 3.866 471 HA LEU 57 HA LEU 57 -1.880 7.065 3.045 472 HB2 LEU 57 2HB LEU 57 -2.152 9.410 4.108 473 HB3 LEU 57 3HB LEU 57 -2.045 8.549 5.642 474 HG LEU 57 HG LEU 57 0.089 8.286 3.546 475 HD11 LEU 57 1HD1 LEU 57 -0.465 10.557 5.359 476 HD12 LEU 57 2HD1 LEU 57 0.347 10.522 3.794 477 HD13 LEU 57 3HD1 LEU 57 1.207 10.008 5.246 478 HD21 LEU 57 3HD2 LEU 57 0.650 6.729 5.074 479 HD22 LEU 57 1HD2 LEU 57 -0.320 7.473 6.346 480 HD23 LEU 57 2HD2 LEU 57 1.277 8.116 5.965 481 H LYS 58 H LYS 58 -4.027 6.660 5.794 482 HA LYS 58 HA LYS 58 -2.461 4.968 7.366 483 HB2 LYS 58 2HB LYS 58 -5.178 5.850 7.299 484 HB3 LYS 58 3HB LYS 58 -5.166 4.109 7.543 485 HG2 LYS 58 2HG LYS 58 -3.192 5.309 9.223 486 HG3 LYS 58 3HG LYS 58 -4.737 6.133 9.445 487 HD2 LYS 58 2HD LYS 58 -5.686 4.345 10.428 488 HD3 LYS 58 3HD LYS 58 -4.919 3.206 9.319 489 HE2 LYS 58 2HE LYS 58 -3.236 4.589 11.351 490 HE3 LYS 58 3HE LYS 58 -4.282 3.270 11.874 491 HZ1 LYS 58 3HZ LYS 58 -1.793 2.993 10.838 492 HZ2 LYS 58 1HZ LYS 58 -2.780 2.651 9.508 493 HZ3 LYS 58 2HZ LYS 58 -2.953 1.766 10.939 494 H ASP 59 H ASP 59 -4.159 4.374 4.409 495 HA ASP 59 HA ASP 59 -4.110 1.498 4.677 496 HB2 ASP 59 2HB ASP 59 -5.131 3.453 2.698 497 HB3 ASP 59 3HB ASP 59 -4.653 1.882 2.060 498 H TYR 60 H TYR 60 -1.938 3.914 3.702 499 HA TYR 60 HA TYR 60 -0.473 2.390 1.772 500 HB2 TYR 60 2HB TYR 60 -0.453 4.863 1.807 501 HB3 TYR 60 3HB TYR 60 0.387 4.823 3.353 502 HD1 TYR 60 HD2 TYR 60 0.898 2.876 0.206 503 HD2 TYR 60 HD1 TYR 60 2.533 5.619 3.018 504 HE1 TYR 60 HE2 TYR 60 3.055 2.792 -0.974 505 HE2 TYR 60 HE1 TYR 60 4.694 5.543 1.845 506 HH TYR 60 HH TYR 60 5.799 3.506 0.155 507 H GLN 61 H GLN 61 -0.580 2.506 5.193 508 HA GLN 61 HA GLN 61 2.088 1.532 5.639 509 HB2 GLN 61 2HB GLN 61 0.202 2.749 7.220 510 HB3 GLN 61 3HB GLN 61 0.126 1.082 7.773 511 HG2 GLN 61 2HG GLN 61 2.482 1.093 8.274 512 HG3 GLN 61 3HG GLN 61 2.648 2.715 7.603 513 HE21 GLN 61 1HE2 GLN 61 3.602 2.717 9.932 514 HE22 GLN 61 2HE2 GLN 61 2.524 3.295 11.152 515 H MET 62 H MET 62 -0.647 0.127 4.418 516 HA MET 62 HA MET 62 -0.353 -2.460 5.681 517 HB2 MET 62 2HB MET 62 -2.009 -1.864 3.239 518 HB3 MET 62 3HB MET 62 -2.245 -3.133 4.433 519 HG2 MET 62 2HG MET 62 -2.635 -0.181 4.868 520 HG3 MET 62 3HG MET 62 -3.903 -1.392 4.688 521 HE1 MET 62 3HE MET 62 -5.012 -2.540 6.756 522 HE2 MET 62 1HE MET 62 -3.736 -3.649 6.252 523 HE3 MET 62 2HE MET 62 -3.966 -3.290 7.963 524 H SER 63 H SER 63 -0.377 -1.518 2.241 525 HA SER 63 HA SER 63 0.771 -2.311 0.443 526 HB2 SER 63 2HB SER 63 3.015 -2.968 2.350 527 HB3 SER 63 3HB SER 63 3.128 -2.501 0.654 528 HG SER 63 HG SER 63 2.098 -0.805 2.678 529 H ALA 64 H ALA 64 -0.819 -4.168 2.147 530 HA ALA 64 HA ALA 64 -0.338 -6.543 0.740 531 HB1 ALA 64 1HB ALA 64 1.561 -6.311 2.634 532 HB2 ALA 64 2HB ALA 64 0.310 -7.154 3.548 533 HB3 ALA 64 3HB ALA 64 0.936 -7.857 2.057 534 H GLY 65 H GLY 65 -2.590 -5.059 1.227 535 HA2 GLY 65 2HA GLY 65 -4.138 -6.833 3.014 536 HA3 GLY 65 3HA GLY 65 -4.462 -5.111 2.876 537 H ALA 66 H ALA 66 -5.548 -8.053 1.967 538 HA ALA 66 HA ALA 66 -6.173 -7.766 -0.756 539 HB1 ALA 66 1HB ALA 66 -7.062 -9.792 -0.508 540 HB2 ALA 66 2HB ALA 66 -6.553 -9.706 1.178 541 HB3 ALA 66 3HB ALA 66 -8.190 -9.230 0.726 542 H THR 67 H THR 67 -7.790 -6.769 -1.828 543 HA THR 67 HA THR 67 -9.815 -5.348 -0.224 544 HB THR 67 HB THR 67 -9.489 -3.992 -2.691 545 HG1 THR 67 HG1 THR 67 -7.043 -4.542 -1.338 546 HG21 THR 67 3HG2 THR 67 -8.516 -3.136 0.032 547 HG22 THR 67 1HG2 THR 67 -10.210 -3.103 -0.455 548 HG23 THR 67 2HG2 THR 67 -9.030 -2.101 -1.300 549 H PHE 68 H PHE 68 -11.901 -5.400 -0.931 550 HA PHE 68 HA PHE 68 -12.443 -6.796 -3.463 551 HB2 PHE 68 2HB PHE 68 -12.847 -8.457 -1.812 552 HB3 PHE 68 3HB PHE 68 -13.674 -7.314 -0.759 553 HD1 PHE 68 HD1 PHE 68 -13.961 -8.764 -4.183 554 HD2 PHE 68 HD2 PHE 68 -15.969 -7.343 -0.709 555 HE1 PHE 68 HE1 PHE 68 -16.118 -9.434 -5.159 556 HE2 PHE 68 HE2 PHE 68 -18.129 -8.012 -1.680 557 HZ PHE 68 HZ PHE 68 -18.205 -9.060 -3.907 558 H HIS 69 H HIS 69 -13.448 -5.417 -4.758 559 HA HIS 69 HA HIS 69 -15.058 -3.261 -3.647 560 HB2 HIS 69 2HB HIS 69 -14.083 -3.874 -6.437 561 HB3 HIS 69 3HB HIS 69 -15.190 -2.550 -6.084 562 HD1 HIS 69 HD1 HIS 69 -12.182 -3.502 -3.997 563 HD2 HIS 69 HD2 HIS 69 -13.485 -0.447 -6.492 564 HE1 HIS 69 HE1 HIS 69 -10.461 -1.681 -3.786 565 H MET 70 H MET 70 -17.233 -2.941 -4.070 566 HA MET 70 HA MET 70 -18.650 -5.170 -5.369 567 HB2 MET 70 2HB MET 70 -18.970 -5.509 -3.028 568 HB3 MET 70 3HB MET 70 -19.313 -3.805 -2.762 569 HG2 MET 70 2HG MET 70 -21.462 -3.998 -3.391 570 HG3 MET 70 3HG MET 70 -21.101 -5.181 -4.646 571 HE1 MET 70 3HE MET 70 -21.974 -5.948 -0.225 572 HE2 MET 70 1HE MET 70 -21.234 -4.503 -0.917 573 HE3 MET 70 2HE MET 70 -22.936 -4.853 -1.220 574 H VAL 71 H VAL 71 -20.116 -4.591 -6.852 575 HA VAL 71 HA VAL 71 -21.001 -1.781 -6.909 576 HB VAL 71 HB VAL 71 -19.412 -2.000 -8.683 577 HG11 VAL 71 1HG1 VAL 71 -20.446 -4.668 -8.845 578 HG12 VAL 71 2HG1 VAL 71 -20.500 -3.906 -10.436 579 HG13 VAL 71 3HG1 VAL 71 -18.977 -3.997 -9.552 580 HG21 VAL 71 3HG2 VAL 71 -22.148 -2.263 -9.922 581 HG22 VAL 71 1HG2 VAL 71 -21.542 -0.796 -9.153 582 HG23 VAL 71 2HG2 VAL 71 -20.746 -1.430 -10.593 583 H VAL 72 H VAL 72 -23.097 -1.779 -6.426 584 HA VAL 72 HA VAL 72 -24.789 -4.023 -7.203 585 HB VAL 72 HB VAL 72 -25.854 -1.634 -5.762 586 HG11 VAL 72 1HG1 VAL 72 -27.156 -3.387 -4.597 587 HG12 VAL 72 2HG1 VAL 72 -27.395 -3.396 -6.345 588 HG13 VAL 72 3HG1 VAL 72 -26.353 -4.603 -5.590 589 HG21 VAL 72 3HG2 VAL 72 -25.098 -2.626 -3.614 590 HG22 VAL 72 1HG2 VAL 72 -24.090 -3.746 -4.530 591 HG23 VAL 72 2HG2 VAL 72 -23.775 -2.013 -4.608 592 H ALA 73 H ALA 73 -25.423 -3.915 -9.275 593 HA ALA 73 HA ALA 73 -26.634 -1.391 -10.199 594 HB1 ALA 73 1HB ALA 73 -24.531 -1.850 -11.368 595 HB2 ALA 73 2HB ALA 73 -25.163 -3.414 -11.885 596 HB3 ALA 73 3HB ALA 73 -25.914 -1.925 -12.460 597 H LEU 74 H LEU 74 -28.721 -1.984 -9.593 598 HA LEU 74 HA LEU 74 -29.848 -4.316 -10.995 599 HB2 LEU 74 2HB LEU 74 -31.651 -4.236 -9.310 600 HB3 LEU 74 3HB LEU 74 -30.059 -4.546 -8.621 601 HG LEU 74 HG LEU 74 -30.267 -1.830 -8.372 602 HD11 LEU 74 1HD1 LEU 74 -33.003 -3.041 -8.077 603 HD12 LEU 74 2HD1 LEU 74 -32.523 -1.646 -9.043 604 HD13 LEU 74 3HD1 LEU 74 -32.526 -1.539 -7.283 605 HD21 LEU 74 3HD2 LEU 74 -31.250 -3.795 -6.314 606 HD22 LEU 74 1HD2 LEU 74 -30.459 -2.242 -6.045 607 HD23 LEU 74 2HD2 LEU 74 -29.546 -3.591 -6.721 608 H ARG 75 H ARG 75 -30.106 -0.887 -10.450 609 HA ARG 75 HA ARG 75 -32.659 -0.394 -11.456 610 HB2 ARG 75 2HB ARG 75 -30.390 1.138 -10.700 611 HB3 ARG 75 3HB ARG 75 -30.897 1.697 -12.288 612 HG2 ARG 75 2HG ARG 75 -32.216 3.035 -11.038 613 HG3 ARG 75 3HG ARG 75 -33.281 1.630 -11.100 614 HD2 ARG 75 2HD ARG 75 -32.729 0.967 -8.933 615 HD3 ARG 75 3HD ARG 75 -31.254 1.932 -8.915 616 HE ARG 75 HE ARG 75 -33.429 3.666 -9.177 617 HH11 ARG 75 1HH1 ARG 75 -32.061 1.473 -6.845 618 HH12 ARG 75 2HH1 ARG 75 -32.661 2.348 -5.475 619 HH21 ARG 75 1HH2 ARG 75 -34.224 4.828 -7.382 620 HH22 ARG 75 2HH2 ARG 75 -33.892 4.256 -5.782 621 H ALA 76 H ALA 76 -29.542 -0.495 -13.165 622 HA ALA 76 HA ALA 76 -30.998 -1.098 -15.638 623 HB1 ALA 76 1HB ALA 76 -28.676 0.616 -16.080 624 HB2 ALA 76 2HB ALA 76 -30.296 0.695 -16.774 625 HB3 ALA 76 3HB ALA 76 -29.980 1.403 -15.190 626 H GLY 77 H GLY 77 -29.650 -2.089 -17.299 627 HA2 GLY 77 2HA GLY 77 -26.982 -2.907 -16.780 628 HA3 GLY 77 3HA GLY 77 -28.102 -4.194 -16.357 629 H CYS 78 H CYS 78 -27.656 -1.872 -19.031 630 HA CYS 78 HA CYS 78 -28.685 -3.753 -20.945 631 HB2 CYS 78 2HB CYS 78 -28.624 -1.065 -20.905 632 HB3 CYS 78 3HB CYS 78 -27.183 -1.365 -21.868 633 HG CYS 78 HG CYS 78 -28.406 -1.773 -24.083 Start of MODEL 6 1 H MET 1 H MET 1 1.644 0.018 0.986 2 HA MET 1 HA MET 1 1.986 0.984 -1.501 3 HB2 MET 1 2HB MET 1 3.705 -0.073 0.118 4 HB3 MET 1 3HB MET 1 3.387 -1.568 -0.752 5 HG2 MET 1 2HG MET 1 4.097 -0.543 -2.828 6 HG3 MET 1 3HG MET 1 4.349 0.993 -2.003 7 HE1 MET 1 3HE MET 1 7.801 1.057 -1.441 8 HE2 MET 1 1HE MET 1 6.203 1.803 -1.502 9 HE3 MET 1 2HE MET 1 6.800 1.118 0.010 10 H LEU 2 H LEU 2 1.723 -2.543 -1.033 11 HA LEU 2 HA LEU 2 0.519 -2.715 -3.711 12 HB2 LEU 2 2HB LEU 2 2.485 -3.998 -3.658 13 HB3 LEU 2 3HB LEU 2 2.114 -4.651 -2.064 14 HG LEU 2 HG LEU 2 0.265 -5.331 -4.285 15 HD11 LEU 2 1HD1 LEU 2 1.895 -6.091 -5.600 16 HD12 LEU 2 2HD1 LEU 2 2.132 -7.350 -4.389 17 HD13 LEU 2 3HD1 LEU 2 3.119 -5.889 -4.346 18 HD21 LEU 2 3HD2 LEU 2 -0.422 -6.374 -2.382 19 HD22 LEU 2 1HD2 LEU 2 1.207 -6.475 -1.713 20 HD23 LEU 2 2HD2 LEU 2 0.701 -7.598 -2.976 21 H LEU 3 H LEU 3 -1.547 -3.271 -3.900 22 HA LEU 3 HA LEU 3 -2.816 -4.849 -1.785 23 HB2 LEU 3 2HB LEU 3 -4.618 -3.396 -1.498 24 HB3 LEU 3 3HB LEU 3 -3.199 -2.351 -1.490 25 HG LEU 3 HG LEU 3 -4.984 -2.750 -3.887 26 HD11 LEU 3 1HD1 LEU 3 -6.427 -1.291 -3.053 27 HD12 LEU 3 2HD1 LEU 3 -5.133 -0.140 -2.722 28 HD13 LEU 3 3HD1 LEU 3 -5.560 -1.355 -1.518 29 HD21 LEU 3 3HD2 LEU 3 -3.853 -0.566 -4.530 30 HD22 LEU 3 1HD2 LEU 3 -2.870 -2.028 -4.615 31 HD23 LEU 3 2HD2 LEU 3 -2.686 -0.920 -3.255 32 H LYS 4 H LYS 4 -4.588 -6.086 -2.452 33 HA LYS 4 HA LYS 4 -4.854 -6.334 -5.374 34 HB2 LYS 4 2HB LYS 4 -3.948 -8.348 -4.471 35 HB3 LYS 4 3HB LYS 4 -5.129 -8.372 -3.167 36 HG2 LYS 4 2HG LYS 4 -6.910 -8.785 -4.797 37 HG3 LYS 4 3HG LYS 4 -5.712 -8.786 -6.094 38 HD2 LYS 4 2HD LYS 4 -5.270 -10.609 -3.788 39 HD3 LYS 4 3HD LYS 4 -6.538 -11.029 -4.941 40 HE2 LYS 4 2HE LYS 4 -5.038 -11.250 -6.699 41 HE3 LYS 4 3HE LYS 4 -3.808 -10.269 -5.904 42 HZ1 LYS 4 3HZ LYS 4 -2.900 -12.234 -5.404 43 HZ2 LYS 4 1HZ LYS 4 -4.326 -13.098 -5.691 44 HZ3 LYS 4 2HZ LYS 4 -4.085 -12.334 -4.202 45 H VAL 5 H VAL 5 -6.655 -5.420 -6.101 46 HA VAL 5 HA VAL 5 -9.052 -5.432 -4.403 47 HB VAL 5 HB VAL 5 -9.924 -3.695 -5.926 48 HG11 VAL 5 1HG1 VAL 5 -8.907 -2.832 -4.006 49 HG12 VAL 5 2HG1 VAL 5 -7.287 -3.260 -4.561 50 HG13 VAL 5 3HG1 VAL 5 -8.162 -1.935 -5.329 51 HG21 VAL 5 3HG2 VAL 5 -7.636 -2.798 -7.246 52 HG22 VAL 5 1HG2 VAL 5 -7.675 -4.540 -7.521 53 HG23 VAL 5 2HG2 VAL 5 -9.059 -3.545 -7.972 54 H LYS 6 H LYS 6 -10.726 -6.690 -4.885 55 HA LYS 6 HA LYS 6 -10.955 -7.745 -7.625 56 HB2 LYS 6 2HB LYS 6 -11.833 -9.860 -6.598 57 HB3 LYS 6 3HB LYS 6 -10.126 -9.555 -6.301 58 HG2 LYS 6 2HG LYS 6 -11.419 -8.372 -4.151 59 HG3 LYS 6 3HG LYS 6 -12.301 -9.876 -4.428 60 HD2 LYS 6 2HD LYS 6 -9.726 -10.716 -4.664 61 HD3 LYS 6 3HD LYS 6 -9.562 -9.438 -3.457 62 HE2 LYS 6 2HE LYS 6 -9.953 -11.513 -2.321 63 HE3 LYS 6 3HE LYS 6 -11.394 -10.509 -2.162 64 HZ1 LYS 6 3HZ LYS 6 -12.421 -12.377 -2.823 65 HZ2 LYS 6 1HZ LYS 6 -11.038 -13.031 -3.546 66 HZ3 LYS 6 2HZ LYS 6 -11.964 -11.884 -4.375 67 H THR 7 H THR 7 -12.825 -7.257 -8.549 68 HA THR 7 HA THR 7 -14.988 -6.168 -6.953 69 HB THR 7 HB THR 7 -15.659 -6.488 -9.743 70 HG1 THR 7 HG1 THR 7 -13.352 -4.898 -9.330 71 HG21 THR 7 3HG2 THR 7 -16.245 -4.741 -7.791 72 HG22 THR 7 1HG2 THR 7 -16.409 -4.357 -9.503 73 HG23 THR 7 2HG2 THR 7 -14.976 -3.837 -8.617 74 H VAL 8 H VAL 8 -17.271 -6.833 -7.569 75 HA VAL 8 HA VAL 8 -17.626 -9.572 -6.958 76 HB VAL 8 HB VAL 8 -19.253 -7.791 -6.356 77 HG11 VAL 8 1HG1 VAL 8 -20.803 -6.938 -7.990 78 HG12 VAL 8 2HG1 VAL 8 -19.157 -6.596 -8.527 79 HG13 VAL 8 3HG1 VAL 8 -20.066 -7.919 -9.257 80 HG21 VAL 8 3HG2 VAL 8 -21.073 -9.208 -6.395 81 HG22 VAL 8 1HG2 VAL 8 -20.723 -9.785 -8.024 82 HG23 VAL 8 2HG2 VAL 8 -19.745 -10.337 -6.664 83 H SER 9 H SER 9 -16.952 -8.023 -9.870 84 HA SER 9 HA SER 9 -18.343 -9.943 -11.550 85 HB2 SER 9 2HB SER 9 -16.937 -7.380 -11.957 86 HB3 SER 9 3HB SER 9 -16.749 -8.549 -13.263 87 HG SER 9 HG SER 9 -19.063 -7.283 -12.317 88 H ASN 10 H ASN 10 -15.894 -10.410 -9.664 89 HA ASN 10 HA ASN 10 -14.186 -11.915 -9.603 90 HB2 ASN 10 2HB ASN 10 -15.908 -12.938 -11.516 91 HB3 ASN 10 3HB ASN 10 -14.357 -12.894 -12.349 92 HD21 ASN 10 1HD2 ASN 10 -14.033 -15.070 -12.394 93 HD22 ASN 10 2HD2 ASN 10 -13.746 -16.020 -10.980 94 H LYS 11 H LYS 11 -13.770 -9.212 -10.461 95 HA LYS 11 HA LYS 11 -11.555 -9.509 -12.374 96 HB2 LYS 11 2HB LYS 11 -13.211 -7.123 -11.561 97 HB3 LYS 11 3HB LYS 11 -11.716 -6.966 -12.475 98 HG2 LYS 11 2HG LYS 11 -12.729 -8.496 -14.192 99 HG3 LYS 11 3HG LYS 11 -14.255 -8.337 -13.319 100 HD2 LYS 11 2HD LYS 11 -13.954 -5.822 -13.572 101 HD3 LYS 11 3HD LYS 11 -12.680 -6.200 -14.734 102 HE2 LYS 11 2HE LYS 11 -15.345 -7.494 -15.047 103 HE3 LYS 11 3HE LYS 11 -15.165 -5.802 -15.509 104 HZ1 LYS 11 3HZ LYS 11 -14.338 -6.513 -17.421 105 HZ2 LYS 11 1HZ LYS 11 -14.335 -8.123 -16.899 106 HZ3 LYS 11 2HZ LYS 11 -13.000 -7.132 -16.592 107 H VAL 12 H VAL 12 -10.005 -10.263 -10.912 108 HA VAL 12 HA VAL 12 -9.345 -8.588 -8.614 109 HB VAL 12 HB VAL 12 -8.032 -11.164 -9.483 110 HG11 VAL 12 1HG1 VAL 12 -7.837 -9.420 -7.062 111 HG12 VAL 12 2HG1 VAL 12 -7.530 -11.153 -6.935 112 HG13 VAL 12 3HG1 VAL 12 -6.551 -10.160 -8.015 113 HG21 VAL 12 3HG2 VAL 12 -9.880 -12.215 -8.829 114 HG22 VAL 12 1HG2 VAL 12 -9.584 -11.608 -7.199 115 HG23 VAL 12 2HG2 VAL 12 -10.617 -10.701 -8.305 116 H ILE 13 H ILE 13 -7.641 -7.252 -8.524 117 HA ILE 13 HA ILE 13 -5.589 -7.433 -10.617 118 HB ILE 13 HB ILE 13 -6.927 -4.866 -9.753 119 HG12 ILE 13 2HG1 ILE 13 -8.323 -6.218 -11.262 120 HG13 ILE 13 3HG1 ILE 13 -7.749 -4.758 -12.059 121 HG21 ILE 13 1HG2 ILE 13 -4.562 -5.450 -11.496 122 HG22 ILE 13 2HG2 ILE 13 -5.523 -3.990 -11.725 123 HG23 ILE 13 3HG2 ILE 13 -4.717 -4.282 -10.184 124 HD11 ILE 13 3HD1 ILE 13 -7.525 -7.413 -12.932 125 HD12 ILE 13 1HD1 ILE 13 -6.858 -5.962 -13.681 126 HD13 ILE 13 2HD1 ILE 13 -5.896 -6.878 -12.521 127 H GLN 14 H GLN 14 -3.620 -7.488 -9.772 128 HA GLN 14 HA GLN 14 -3.234 -6.457 -7.044 129 HB2 GLN 14 2HB GLN 14 -1.283 -7.978 -6.944 130 HB3 GLN 14 3HB GLN 14 -2.798 -8.830 -7.214 131 HG2 GLN 14 2HG GLN 14 -2.231 -8.825 -9.666 132 HG3 GLN 14 3HG GLN 14 -0.629 -8.248 -9.208 133 HE21 GLN 14 1HE2 GLN 14 0.836 -9.653 -8.400 134 HE22 GLN 14 2HE2 GLN 14 0.555 -11.348 -8.216 135 H ILE 15 H ILE 15 -2.227 -4.573 -6.923 136 HA ILE 15 HA ILE 15 -0.165 -3.948 -8.935 137 HB ILE 15 HB ILE 15 -0.704 -1.564 -8.625 138 HG12 ILE 15 2HG1 ILE 15 -1.800 -2.139 -6.300 139 HG13 ILE 15 3HG1 ILE 15 -2.385 -0.777 -7.249 140 HG21 ILE 15 1HG2 ILE 15 -1.696 -2.464 -10.524 141 HG22 ILE 15 2HG2 ILE 15 -2.812 -3.458 -9.589 142 HG23 ILE 15 3HG2 ILE 15 -3.052 -1.713 -9.683 143 HD11 ILE 15 3HD1 ILE 15 -3.668 -3.418 -7.663 144 HD12 ILE 15 1HD1 ILE 15 -4.024 -2.535 -6.179 145 HD13 ILE 15 2HD1 ILE 15 -4.355 -1.797 -7.746 146 H THR 16 H THR 16 1.644 -2.723 -8.229 147 HA THR 16 HA THR 16 2.045 -2.682 -5.312 148 HB THR 16 HB THR 16 3.291 -4.575 -6.148 149 HG1 THR 16 HG1 THR 16 5.254 -3.987 -5.302 150 HG21 THR 16 3HG2 THR 16 4.263 -4.631 -8.155 151 HG22 THR 16 1HG2 THR 16 5.234 -3.207 -7.785 152 HG23 THR 16 2HG2 THR 16 3.612 -3.019 -8.450 153 H SER 17 H SER 17 1.183 -0.421 -6.284 154 HA SER 17 HA SER 17 3.314 1.403 -5.879 155 HB2 SER 17 2HB SER 17 3.987 1.028 -8.120 156 HB3 SER 17 3HB SER 17 2.322 1.015 -8.701 157 HG SER 17 HG SER 17 3.403 2.992 -9.157 158 H LEU 18 H LEU 18 1.520 1.723 -4.302 159 HA LEU 18 HA LEU 18 -0.653 3.371 -5.401 160 HB2 LEU 18 2HB LEU 18 -0.471 1.433 -3.240 161 HB3 LEU 18 3HB LEU 18 -1.216 2.947 -2.731 162 HG LEU 18 HG LEU 18 -2.799 1.141 -3.479 163 HD11 LEU 18 1HD1 LEU 18 -3.055 3.778 -3.590 164 HD12 LEU 18 2HD1 LEU 18 -4.306 2.688 -4.188 165 HD13 LEU 18 3HD1 LEU 18 -3.177 3.438 -5.316 166 HD21 LEU 18 3HD2 LEU 18 -1.759 1.850 -6.219 167 HD22 LEU 18 1HD2 LEU 18 -3.061 0.724 -5.834 168 HD23 LEU 18 2HD2 LEU 18 -1.403 0.346 -5.366 169 H THR 19 H THR 19 -1.215 5.340 -4.350 170 HA THR 19 HA THR 19 1.086 6.813 -3.435 171 HB THR 19 HB THR 19 -1.555 8.113 -3.242 172 HG1 THR 19 HG1 THR 19 -0.515 7.342 -5.783 173 HG21 THR 19 3HG2 THR 19 0.253 9.338 -5.073 174 HG22 THR 19 1HG2 THR 19 1.162 8.821 -3.654 175 HG23 THR 19 2HG2 THR 19 -0.230 9.888 -3.469 176 H ASP 20 H ASP 20 0.524 8.483 -1.574 177 HA ASP 20 HA ASP 20 -0.575 6.938 0.683 178 HB2 ASP 20 2HB ASP 20 1.136 8.517 1.979 179 HB3 ASP 20 3HB ASP 20 1.630 6.966 1.304 180 H ASP 21 H ASP 21 -1.361 9.329 -1.245 181 HA ASP 21 HA ASP 21 -2.140 11.263 0.806 182 HB2 ASP 21 2HB ASP 21 -1.481 11.424 -1.990 183 HB3 ASP 21 3HB ASP 21 -3.087 12.093 -1.719 184 H ASN 22 H ASN 22 -3.609 9.348 -1.807 185 HA ASN 22 HA ASN 22 -6.193 9.601 -0.412 186 HB2 ASN 22 2HB ASN 22 -5.522 9.486 -3.340 187 HB3 ASN 22 3HB ASN 22 -7.115 8.999 -2.767 188 HD21 ASN 22 1HD2 ASN 22 -5.535 11.460 -4.099 189 HD22 ASN 22 2HD2 ASN 22 -6.424 12.797 -3.462 190 H THR 23 H THR 23 -4.123 7.441 -2.304 191 HA THR 23 HA THR 23 -3.924 5.174 -2.361 192 HB THR 23 HB THR 23 -5.286 5.393 0.328 193 HG1 THR 23 HG1 THR 23 -3.078 4.980 1.019 194 HG21 THR 23 3HG2 THR 23 -4.142 3.032 -1.133 195 HG22 THR 23 1HG2 THR 23 -5.686 3.172 -0.292 196 HG23 THR 23 2HG2 THR 23 -4.184 3.084 0.629 197 H ILE 24 H ILE 24 -6.950 5.152 -0.538 198 HA ILE 24 HA ILE 24 -8.168 3.368 -2.409 199 HB ILE 24 HB ILE 24 -9.479 4.873 -0.143 200 HG12 ILE 24 2HG1 ILE 24 -9.166 2.343 0.771 201 HG13 ILE 24 3HG1 ILE 24 -7.719 2.495 -0.218 202 HG21 ILE 24 1HG2 ILE 24 -10.507 3.142 -2.160 203 HG22 ILE 24 2HG2 ILE 24 -10.636 2.336 -0.598 204 HG23 ILE 24 3HG2 ILE 24 -11.363 3.925 -0.832 205 HD11 ILE 24 3HD1 ILE 24 -8.087 4.831 1.418 206 HD12 ILE 24 1HD1 ILE 24 -8.076 3.364 2.397 207 HD13 ILE 24 2HD1 ILE 24 -6.719 3.721 1.327 208 H ALA 25 H ALA 25 -8.726 6.761 -1.508 209 HA ALA 25 HA ALA 25 -10.880 7.265 -3.210 210 HB1 ALA 25 1HB ALA 25 -9.445 8.725 -1.389 211 HB2 ALA 25 2HB ALA 25 -9.060 9.525 -2.913 212 HB3 ALA 25 3HB ALA 25 -10.741 9.347 -2.411 213 H GLU 26 H GLU 26 -7.404 7.377 -3.807 214 HA GLU 26 HA GLU 26 -7.577 8.528 -6.395 215 HB2 GLU 26 2HB GLU 26 -5.504 8.623 -5.142 216 HB3 GLU 26 3HB GLU 26 -5.408 6.868 -5.104 217 HG2 GLU 26 2HG GLU 26 -4.256 6.888 -6.985 218 HG3 GLU 26 3HG GLU 26 -5.614 7.648 -7.813 219 H LEU 27 H LEU 27 -7.470 5.204 -5.210 220 HA LEU 27 HA LEU 27 -7.259 3.960 -7.740 221 HB2 LEU 27 2HB LEU 27 -7.474 3.165 -5.019 222 HB3 LEU 27 3HB LEU 27 -8.685 2.282 -5.947 223 HG LEU 27 HG LEU 27 -6.509 1.092 -5.654 224 HD11 LEU 27 1HD1 LEU 27 -8.013 0.476 -7.443 225 HD12 LEU 27 2HD1 LEU 27 -6.345 0.385 -8.006 226 HD13 LEU 27 3HD1 LEU 27 -7.359 1.751 -8.471 227 HD21 LEU 27 3HD2 LEU 27 -4.539 1.828 -6.599 228 HD22 LEU 27 1HD2 LEU 27 -5.239 3.338 -6.014 229 HD23 LEU 27 2HD2 LEU 27 -5.358 2.915 -7.722 230 H LYS 28 H LYS 28 -10.059 4.590 -5.639 231 HA LYS 28 HA LYS 28 -11.987 3.507 -7.395 232 HB2 LYS 28 2HB LYS 28 -13.632 4.636 -6.005 233 HB3 LYS 28 3HB LYS 28 -12.400 3.890 -4.995 234 HG2 LYS 28 2HG LYS 28 -11.296 6.095 -4.789 235 HG3 LYS 28 3HG LYS 28 -12.630 6.809 -5.698 236 HD2 LYS 28 2HD LYS 28 -12.925 5.298 -3.102 237 HD3 LYS 28 3HD LYS 28 -12.873 7.057 -3.244 238 HE2 LYS 28 2HE LYS 28 -15.114 6.860 -3.348 239 HE3 LYS 28 3HE LYS 28 -14.804 6.475 -5.040 240 HZ1 LYS 28 3HZ LYS 28 -14.522 4.092 -3.733 241 HZ2 LYS 28 1HZ LYS 28 -15.862 4.579 -4.645 242 HZ3 LYS 28 2HZ LYS 28 -15.849 4.812 -2.970 243 H GLY 29 H GLY 29 -10.692 6.770 -6.983 244 HA2 GLY 29 2HA GLY 29 -12.492 8.048 -8.763 245 HA3 GLY 29 3HA GLY 29 -10.936 8.677 -8.242 246 H LYS 30 H LYS 30 -9.436 6.390 -9.239 247 HA LYS 30 HA LYS 30 -9.087 7.297 -11.935 248 HB2 LYS 30 2HB LYS 30 -7.769 5.194 -10.239 249 HB3 LYS 30 3HB LYS 30 -7.406 5.330 -11.954 250 HG2 LYS 30 2HG LYS 30 -7.196 7.719 -10.169 251 HG3 LYS 30 3HG LYS 30 -5.895 6.528 -10.239 252 HD2 LYS 30 2HD LYS 30 -6.048 6.840 -12.795 253 HD3 LYS 30 3HD LYS 30 -6.940 8.314 -12.412 254 HE2 LYS 30 2HE LYS 30 -5.036 9.056 -11.021 255 HE3 LYS 30 3HE LYS 30 -4.146 7.615 -11.510 256 HZ1 LYS 30 3HZ LYS 30 -5.199 9.585 -13.457 257 HZ2 LYS 30 1HZ LYS 30 -4.069 8.356 -13.730 258 HZ3 LYS 30 2HZ LYS 30 -3.648 9.697 -12.790 259 H LEU 31 H LEU 31 -10.465 4.454 -10.387 260 HA LEU 31 HA LEU 31 -10.802 2.937 -12.765 261 HB2 LEU 31 2HB LEU 31 -10.876 2.236 -10.248 262 HB3 LEU 31 3HB LEU 31 -12.589 2.623 -10.393 263 HG LEU 31 HG LEU 31 -12.164 0.229 -10.658 264 HD11 LEU 31 1HD1 LEU 31 -13.607 -0.094 -12.441 265 HD12 LEU 31 2HD1 LEU 31 -12.937 1.254 -13.360 266 HD13 LEU 31 3HD1 LEU 31 -13.954 1.566 -11.954 267 HD21 LEU 31 3HD2 LEU 31 -10.941 0.483 -13.307 268 HD22 LEU 31 1HD2 LEU 31 -10.598 -0.649 -11.999 269 HD23 LEU 31 2HD2 LEU 31 -9.894 0.968 -11.972 270 H GLU 32 H GLU 32 -12.948 5.067 -10.913 271 HA GLU 32 HA GLU 32 -15.221 4.668 -12.561 272 HB2 GLU 32 2HB GLU 32 -16.102 6.703 -11.447 273 HB3 GLU 32 3HB GLU 32 -15.495 5.504 -10.314 274 HG2 GLU 32 2HG GLU 32 -14.575 7.365 -9.408 275 HG3 GLU 32 3HG GLU 32 -13.287 6.932 -10.531 276 H GLU 33 H GLU 33 -12.609 7.041 -12.555 277 HA GLU 33 HA GLU 33 -13.703 8.707 -14.572 278 HB2 GLU 33 2HB GLU 33 -11.850 9.275 -12.909 279 HB3 GLU 33 3HB GLU 33 -10.766 8.390 -13.974 280 HG2 GLU 33 2HG GLU 33 -10.437 10.388 -14.917 281 HG3 GLU 33 3HG GLU 33 -11.958 10.049 -15.742 282 H SER 34 H SER 34 -11.630 5.873 -14.621 283 HA SER 34 HA SER 34 -10.810 6.032 -17.310 284 HB2 SER 34 2HB SER 34 -9.724 4.557 -15.663 285 HB3 SER 34 3HB SER 34 -11.183 3.569 -15.586 286 HG SER 34 HG SER 34 -10.681 2.673 -17.435 287 H GLU 35 H GLU 35 -13.557 4.391 -15.778 288 HA GLU 35 HA GLU 35 -14.567 3.467 -18.325 289 HB2 GLU 35 2HB GLU 35 -15.447 3.200 -15.473 290 HB3 GLU 35 3HB GLU 35 -16.570 2.824 -16.773 291 HG2 GLU 35 2HG GLU 35 -13.864 1.594 -16.822 292 HG3 GLU 35 3HG GLU 35 -15.065 0.971 -15.693 293 H GLY 36 H GLY 36 -14.624 6.366 -16.722 294 HA2 GLY 36 2HA GLY 36 -15.690 8.305 -17.517 295 HA3 GLY 36 3HA GLY 36 -16.856 7.293 -18.358 296 H ILE 37 H ILE 37 -17.745 5.685 -16.284 297 HA ILE 37 HA ILE 37 -18.751 7.540 -14.250 298 HB ILE 37 HB ILE 37 -21.039 6.457 -14.529 299 HG12 ILE 37 2HG1 ILE 37 -20.554 6.022 -17.386 300 HG13 ILE 37 3HG1 ILE 37 -19.715 4.871 -16.352 301 HG21 ILE 37 1HG2 ILE 37 -21.756 8.161 -15.931 302 HG22 ILE 37 2HG2 ILE 37 -20.228 8.782 -15.308 303 HG23 ILE 37 3HG2 ILE 37 -20.303 8.088 -16.928 304 HD11 ILE 37 3HD1 ILE 37 -22.554 5.129 -16.965 305 HD12 ILE 37 1HD1 ILE 37 -21.625 3.727 -16.438 306 HD13 ILE 37 2HD1 ILE 37 -22.204 4.898 -15.252 307 HA PRO 38 HA PRO 38 -18.150 4.212 -11.450 308 HB2 PRO 38 2HB PRO 38 -20.114 4.683 -9.636 309 HB3 PRO 38 3HB PRO 38 -18.667 5.689 -9.768 310 HG2 PRO 38 2HG PRO 38 -21.414 6.170 -10.856 311 HG3 PRO 38 3HG PRO 38 -20.313 7.306 -10.056 312 HD2 PRO 38 2HD PRO 38 -20.615 7.219 -12.745 313 HD3 PRO 38 3HD PRO 38 -19.078 7.653 -11.970 314 H GLY 39 H GLY 39 -18.768 2.123 -11.165 315 HA2 GLY 39 2HA GLY 39 -20.618 0.908 -12.812 316 HA3 GLY 39 3HA GLY 39 -20.019 0.201 -11.318 317 H ASN 40 H ASN 40 -21.078 1.914 -9.435 318 HA ASN 40 HA ASN 40 -23.741 2.632 -9.693 319 HB2 ASN 40 2HB ASN 40 -23.403 -0.208 -9.654 320 HB3 ASN 40 3HB ASN 40 -24.198 0.281 -8.160 321 HD21 ASN 40 1HD2 ASN 40 -26.190 1.380 -8.279 322 HD22 ASN 40 2HD2 ASN 40 -27.193 1.258 -9.681 323 H MET 41 H MET 41 -22.231 0.518 -7.254 324 HA MET 41 HA MET 41 -22.644 2.651 -5.277 325 HB2 MET 41 2HB MET 41 -22.492 -0.336 -5.083 326 HB3 MET 41 3HB MET 41 -22.141 0.652 -3.671 327 HG2 MET 41 2HG MET 41 -24.421 1.777 -4.249 328 HG3 MET 41 3HG MET 41 -24.707 0.281 -5.135 329 HE1 MET 41 3HE MET 41 -23.921 1.254 -0.950 330 HE2 MET 41 1HE MET 41 -24.634 2.230 -2.234 331 HE3 MET 41 2HE MET 41 -25.673 1.301 -1.153 332 H ILE 42 H ILE 42 -20.243 0.366 -6.500 333 HA ILE 42 HA ILE 42 -17.978 0.244 -6.266 334 HB ILE 42 HB ILE 42 -18.057 3.235 -5.913 335 HG12 ILE 42 2HG1 ILE 42 -19.523 2.671 -7.780 336 HG13 ILE 42 3HG1 ILE 42 -18.034 3.394 -8.378 337 HG21 ILE 42 1HG2 ILE 42 -15.854 2.652 -5.728 338 HG22 ILE 42 2HG2 ILE 42 -16.031 1.227 -6.750 339 HG23 ILE 42 3HG2 ILE 42 -15.975 2.832 -7.478 340 HD11 ILE 42 3HD1 ILE 42 -17.741 0.553 -8.250 341 HD12 ILE 42 1HD1 ILE 42 -19.201 0.970 -9.146 342 HD13 ILE 42 2HD1 ILE 42 -17.642 1.628 -9.644 343 H ARG 43 H ARG 43 -19.018 -0.514 -3.973 344 HA ARG 43 HA ARG 43 -17.492 0.928 -1.904 345 HB2 ARG 43 2HB ARG 43 -20.199 0.490 -1.926 346 HB3 ARG 43 3HB ARG 43 -19.619 -0.868 -0.971 347 HG2 ARG 43 2HG ARG 43 -18.307 0.895 0.360 348 HG3 ARG 43 3HG ARG 43 -19.385 2.061 -0.409 349 HD2 ARG 43 2HD ARG 43 -20.651 -0.313 0.817 350 HD3 ARG 43 3HD ARG 43 -19.939 0.861 1.922 351 HE ARG 43 HE ARG 43 -22.331 1.172 0.393 352 HH11 ARG 43 1HH1 ARG 43 -19.645 2.886 1.797 353 HH12 ARG 43 2HH1 ARG 43 -20.505 4.384 1.936 354 HH21 ARG 43 1HH2 ARG 43 -23.473 3.139 0.570 355 HH22 ARG 43 2HH2 ARG 43 -22.682 4.526 1.238 356 H LEU 44 H LEU 44 -15.764 -0.141 -1.232 357 HA LEU 44 HA LEU 44 -15.719 -3.069 -1.480 358 HB2 LEU 44 2HB LEU 44 -13.267 -2.843 -1.323 359 HB3 LEU 44 3HB LEU 44 -13.961 -2.001 -2.707 360 HG LEU 44 HG LEU 44 -13.460 -0.433 -0.230 361 HD11 LEU 44 1HD1 LEU 44 -11.114 -0.038 -1.349 362 HD12 LEU 44 2HD1 LEU 44 -11.359 -1.687 -1.923 363 HD13 LEU 44 3HD1 LEU 44 -11.364 -1.345 -0.193 364 HD21 LEU 44 3HD2 LEU 44 -13.738 1.289 -1.615 365 HD22 LEU 44 1HD2 LEU 44 -14.284 0.117 -2.814 366 HD23 LEU 44 2HD2 LEU 44 -12.596 0.628 -2.787 367 H VAL 45 H VAL 45 -14.732 -4.317 0.223 368 HA VAL 45 HA VAL 45 -15.016 -3.041 2.866 369 HB VAL 45 HB VAL 45 -15.375 -5.975 2.255 370 HG11 VAL 45 1HG1 VAL 45 -16.150 -6.203 4.463 371 HG12 VAL 45 2HG1 VAL 45 -14.702 -5.201 4.586 372 HG13 VAL 45 3HG1 VAL 45 -16.300 -4.459 4.679 373 HG21 VAL 45 3HG2 VAL 45 -17.120 -4.755 1.121 374 HG22 VAL 45 1HG2 VAL 45 -17.796 -5.540 2.549 375 HG23 VAL 45 2HG2 VAL 45 -17.452 -3.810 2.572 376 H TYR 46 H TYR 46 -13.160 -2.779 3.898 377 HA TYR 46 HA TYR 46 -10.898 -4.528 3.234 378 HB2 TYR 46 2HB TYR 46 -11.005 -1.806 3.363 379 HB3 TYR 46 3HB TYR 46 -10.414 -2.199 4.974 380 HD1 TYR 46 HD1 TYR 46 -8.751 -4.580 4.397 381 HD2 TYR 46 HD2 TYR 46 -9.141 -0.911 2.279 382 HE1 TYR 46 HE1 TYR 46 -6.481 -4.866 3.497 383 HE2 TYR 46 HE2 TYR 46 -6.872 -1.187 1.372 384 HH TYR 46 HH TYR 46 -5.024 -2.417 1.376 385 H GLN 47 H GLN 47 -10.541 -6.166 4.564 386 HA GLN 47 HA GLN 47 -10.443 -7.465 6.430 387 HB2 GLN 47 2HB GLN 47 -9.130 -5.124 7.003 388 HB3 GLN 47 3HB GLN 47 -10.269 -5.243 8.338 389 HG2 GLN 47 2HG GLN 47 -8.820 -6.585 9.332 390 HG3 GLN 47 3HG GLN 47 -9.207 -7.794 8.109 391 HE21 GLN 47 1HE2 GLN 47 -6.954 -5.333 9.099 392 HE22 GLN 47 2HE2 GLN 47 -5.664 -5.811 8.055 393 H GLY 48 H GLY 48 -13.045 -6.629 5.554 394 HA2 GLY 48 2HA GLY 48 -15.179 -7.111 6.336 395 HA3 GLY 48 3HA GLY 48 -14.517 -7.274 7.956 396 H LYS 49 H LYS 49 -13.408 -4.415 6.731 397 HA LYS 49 HA LYS 49 -15.514 -2.926 8.134 398 HB2 LYS 49 2HB LYS 49 -12.651 -2.749 8.095 399 HB3 LYS 49 3HB LYS 49 -13.330 -1.231 7.522 400 HG2 LYS 49 2HG LYS 49 -12.971 -1.140 9.906 401 HG3 LYS 49 3HG LYS 49 -14.699 -1.090 9.552 402 HD2 LYS 49 2HD LYS 49 -14.374 -2.574 11.397 403 HD3 LYS 49 3HD LYS 49 -14.775 -3.553 9.984 404 HE2 LYS 49 2HE LYS 49 -12.593 -4.332 9.754 405 HE3 LYS 49 3HE LYS 49 -11.920 -3.014 10.712 406 HZ1 LYS 49 3HZ LYS 49 -13.691 -5.091 11.864 407 HZ2 LYS 49 1HZ LYS 49 -12.725 -3.975 12.691 408 HZ3 LYS 49 2HZ LYS 49 -12.007 -5.240 11.829 409 H GLN 50 H GLN 50 -16.280 -0.927 7.251 410 HA GLN 50 HA GLN 50 -16.157 -0.872 4.311 411 HB2 GLN 50 2HB GLN 50 -18.338 0.344 5.996 412 HB3 GLN 50 3HB GLN 50 -18.367 -0.007 4.273 413 HG2 GLN 50 2HG GLN 50 -18.248 -2.427 4.830 414 HG3 GLN 50 3HG GLN 50 -18.406 -1.993 6.531 415 HE21 GLN 50 1HE2 GLN 50 -20.206 -3.665 5.304 416 HE22 GLN 50 2HE2 GLN 50 -21.737 -2.873 5.180 417 H LEU 51 H LEU 51 -16.308 1.245 3.285 418 HA LEU 51 HA LEU 51 -15.576 3.370 2.941 419 HB2 LEU 51 2HB LEU 51 -15.882 3.867 5.883 420 HB3 LEU 51 3HB LEU 51 -16.066 5.005 4.550 421 HG LEU 51 HG LEU 51 -18.026 3.038 4.151 422 HD11 LEU 51 1HD1 LEU 51 -19.281 3.212 6.298 423 HD12 LEU 51 2HD1 LEU 51 -17.825 3.879 7.035 424 HD13 LEU 51 3HD1 LEU 51 -17.814 2.238 6.390 425 HD21 LEU 51 3HD2 LEU 51 -18.549 5.186 3.501 426 HD22 LEU 51 1HD2 LEU 51 -17.960 5.899 5.003 427 HD23 LEU 51 2HD2 LEU 51 -19.493 5.027 4.982 428 H GLU 52 H GLU 52 -13.474 3.184 2.387 429 HA GLU 52 HA GLU 52 -11.495 3.211 4.570 430 HB2 GLU 52 2HB GLU 52 -10.979 2.241 1.762 431 HB3 GLU 52 3HB GLU 52 -9.966 2.021 3.182 432 HG2 GLU 52 2HG GLU 52 -12.700 0.813 2.837 433 HG3 GLU 52 3HG GLU 52 -11.184 -0.017 2.491 434 H ASP 53 H ASP 53 -12.922 5.099 2.293 435 HA ASP 53 HA ASP 53 -10.890 6.463 0.994 436 HB2 ASP 53 2HB ASP 53 -13.620 6.727 1.173 437 HB3 ASP 53 3HB ASP 53 -13.051 8.204 1.945 438 H GLU 54 H GLU 54 -12.181 6.939 4.249 439 HA GLU 54 HA GLU 54 -10.660 9.266 4.824 440 HB2 GLU 54 2HB GLU 54 -12.663 7.772 6.103 441 HB3 GLU 54 3HB GLU 54 -11.278 7.721 7.185 442 HG2 GLU 54 2HG GLU 54 -12.481 9.588 7.871 443 HG3 GLU 54 3HG GLU 54 -11.170 10.249 6.895 444 H LYS 55 H LYS 55 -9.918 5.916 4.762 445 HA LYS 55 HA LYS 55 -7.516 6.273 6.394 446 HB2 LYS 55 2HB LYS 55 -9.016 3.892 5.363 447 HB3 LYS 55 3HB LYS 55 -7.330 3.721 5.834 448 HG2 LYS 55 2HG LYS 55 -8.511 3.123 7.742 449 HG3 LYS 55 3HG LYS 55 -8.037 4.796 8.048 450 HD2 LYS 55 2HD LYS 55 -10.164 5.525 8.042 451 HD3 LYS 55 3HD LYS 55 -10.615 4.494 6.682 452 HE2 LYS 55 2HE LYS 55 -10.668 2.560 8.239 453 HE3 LYS 55 3HE LYS 55 -10.359 3.672 9.572 454 HZ1 LYS 55 3HZ LYS 55 -12.808 2.974 8.577 455 HZ2 LYS 55 1HZ LYS 55 -12.550 4.529 7.961 456 HZ3 LYS 55 2HZ LYS 55 -12.485 4.258 9.629 457 H ARG 56 H ARG 56 -7.579 7.639 3.930 458 HA ARG 56 HA ARG 56 -6.496 6.421 1.725 459 HB2 ARG 56 2HB ARG 56 -5.191 8.724 1.547 460 HB3 ARG 56 3HB ARG 56 -6.932 8.630 1.316 461 HG2 ARG 56 2HG ARG 56 -6.125 9.043 4.094 462 HG3 ARG 56 3HG ARG 56 -5.657 10.346 3.000 463 HD2 ARG 56 2HD ARG 56 -8.206 9.885 2.199 464 HD3 ARG 56 3HD ARG 56 -8.321 9.503 3.916 465 HE ARG 56 HE ARG 56 -8.066 11.728 4.394 466 HH11 ARG 56 1HH1 ARG 56 -7.136 11.153 1.089 467 HH12 ARG 56 2HH1 ARG 56 -6.980 12.835 0.703 468 HH21 ARG 56 1HH2 ARG 56 -7.865 13.945 3.899 469 HH22 ARG 56 2HH2 ARG 56 -7.394 14.422 2.303 470 H LEU 57 H LEU 57 -4.353 8.381 3.755 471 HA LEU 57 HA LEU 57 -2.034 6.979 2.995 472 HB2 LEU 57 2HB LEU 57 -2.304 9.342 3.993 473 HB3 LEU 57 3HB LEU 57 -2.261 8.523 5.553 474 HG LEU 57 HG LEU 57 -0.058 8.218 3.531 475 HD11 LEU 57 1HD1 LEU 57 0.891 10.167 4.081 476 HD12 LEU 57 2HD1 LEU 57 0.424 10.029 5.776 477 HD13 LEU 57 3HD1 LEU 57 -0.730 10.638 4.590 478 HD21 LEU 57 3HD2 LEU 57 0.573 6.702 5.040 479 HD22 LEU 57 1HD2 LEU 57 -0.615 7.260 6.218 480 HD23 LEU 57 2HD2 LEU 57 0.948 8.067 6.094 481 H LYS 58 H LYS 58 -4.229 6.626 5.712 482 HA LYS 58 HA LYS 58 -2.694 4.964 7.344 483 HB2 LYS 58 2HB LYS 58 -5.409 5.844 7.209 484 HB3 LYS 58 3HB LYS 58 -5.401 4.107 7.486 485 HG2 LYS 58 2HG LYS 58 -3.461 5.361 9.177 486 HG3 LYS 58 3HG LYS 58 -5.026 6.155 9.363 487 HD2 LYS 58 2HD LYS 58 -6.018 4.297 10.233 488 HD3 LYS 58 3HD LYS 58 -4.998 3.189 9.312 489 HE2 LYS 58 2HE LYS 58 -3.194 4.420 10.966 490 HE3 LYS 58 3HE LYS 58 -4.626 4.311 11.987 491 HZ1 LYS 58 3HZ LYS 58 -4.244 2.165 12.286 492 HZ2 LYS 58 1HZ LYS 58 -2.809 2.299 11.400 493 HZ3 LYS 58 2HZ LYS 58 -4.248 1.874 10.620 494 H ASP 59 H ASP 59 -4.338 4.313 4.368 495 HA ASP 59 HA ASP 59 -4.291 1.443 4.690 496 HB2 ASP 59 2HB ASP 59 -5.278 3.358 2.656 497 HB3 ASP 59 3HB ASP 59 -4.793 1.773 2.061 498 H TYR 60 H TYR 60 -2.113 3.849 3.689 499 HA TYR 60 HA TYR 60 -0.611 2.280 1.824 500 HB2 TYR 60 2HB TYR 60 -0.643 4.784 1.857 501 HB3 TYR 60 3HB TYR 60 0.288 4.731 3.350 502 HD1 TYR 60 HD2 TYR 60 0.445 3.279 -0.096 503 HD2 TYR 60 HD1 TYR 60 2.564 5.019 3.157 504 HE1 TYR 60 HE2 TYR 60 2.525 3.178 -1.405 505 HE2 TYR 60 HE1 TYR 60 4.650 4.924 1.857 506 HH TYR 60 HH TYR 60 5.236 4.877 -0.679 507 H GLN 61 H GLN 61 -0.735 2.547 5.247 508 HA GLN 61 HA GLN 61 1.920 1.598 5.763 509 HB2 GLN 61 2HB GLN 61 -0.125 2.746 7.277 510 HB3 GLN 61 3HB GLN 61 0.037 1.115 7.915 511 HG2 GLN 61 2HG GLN 61 2.403 1.481 8.310 512 HG3 GLN 61 3HG GLN 61 2.281 3.098 7.619 513 HE21 GLN 61 1HE2 GLN 61 2.770 4.305 9.359 514 HE22 GLN 61 2HE2 GLN 61 1.858 4.323 10.826 515 H MET 62 H MET 62 -0.777 0.119 4.534 516 HA MET 62 HA MET 62 -0.459 -2.432 5.861 517 HB2 MET 62 2HB MET 62 -2.089 -1.912 3.383 518 HB3 MET 62 3HB MET 62 -2.318 -3.169 4.592 519 HG2 MET 62 2HG MET 62 -2.768 -0.219 4.984 520 HG3 MET 62 3HG MET 62 -4.011 -1.453 4.795 521 HE1 MET 62 3HE MET 62 -5.299 -1.092 7.443 522 HE2 MET 62 1HE MET 62 -4.218 -0.144 8.466 523 HE3 MET 62 2HE MET 62 -4.485 0.330 6.788 524 H SER 63 H SER 63 -0.442 -1.567 2.401 525 HA SER 63 HA SER 63 0.771 -2.353 0.644 526 HB2 SER 63 2HB SER 63 2.937 -3.014 2.643 527 HB3 SER 63 3HB SER 63 3.124 -2.608 0.937 528 HG SER 63 HG SER 63 3.598 -0.778 2.074 529 H ALA 64 H ALA 64 -0.886 -4.190 2.316 530 HA ALA 64 HA ALA 64 -0.424 -6.567 0.915 531 HB1 ALA 64 1HB ALA 64 0.864 -7.877 2.207 532 HB2 ALA 64 2HB ALA 64 1.450 -6.348 2.863 533 HB3 ALA 64 3HB ALA 64 0.186 -7.242 3.706 534 H GLY 65 H GLY 65 -2.636 -4.974 1.501 535 HA2 GLY 65 2HA GLY 65 -4.215 -6.736 3.272 536 HA3 GLY 65 3HA GLY 65 -4.534 -5.020 3.071 537 H ALA 66 H ALA 66 -5.604 -7.999 2.248 538 HA ALA 66 HA ALA 66 -6.220 -7.794 -0.485 539 HB1 ALA 66 1HB ALA 66 -7.393 -9.727 -0.221 540 HB2 ALA 66 2HB ALA 66 -6.432 -9.777 1.258 541 HB3 ALA 66 3HB ALA 66 -8.104 -9.218 1.311 542 H THR 67 H THR 67 -7.830 -6.827 -1.591 543 HA THR 67 HA THR 67 -9.877 -5.383 -0.038 544 HB THR 67 HB THR 67 -9.518 -4.091 -2.543 545 HG1 THR 67 HG1 THR 67 -7.094 -4.300 -1.059 546 HG21 THR 67 3HG2 THR 67 -9.065 -2.155 -1.171 547 HG22 THR 67 1HG2 THR 67 -8.697 -3.179 0.216 548 HG23 THR 67 2HG2 THR 67 -10.342 -3.109 -0.416 549 H PHE 68 H PHE 68 -11.957 -5.459 -0.766 550 HA PHE 68 HA PHE 68 -12.465 -6.918 -3.269 551 HB2 PHE 68 2HB PHE 68 -12.882 -8.540 -1.582 552 HB3 PHE 68 3HB PHE 68 -13.724 -7.374 -0.567 553 HD1 PHE 68 HD1 PHE 68 -13.971 -8.896 -3.963 554 HD2 PHE 68 HD2 PHE 68 -16.018 -7.423 -0.534 555 HE1 PHE 68 HE1 PHE 68 -16.114 -9.598 -4.945 556 HE2 PHE 68 HE2 PHE 68 -18.165 -8.123 -1.511 557 HZ PHE 68 HZ PHE 68 -18.215 -9.213 -3.719 558 H HIS 69 H HIS 69 -13.460 -5.574 -4.609 559 HA HIS 69 HA HIS 69 -15.083 -3.393 -3.572 560 HB2 HIS 69 2HB HIS 69 -14.189 -4.084 -6.376 561 HB3 HIS 69 3HB HIS 69 -15.172 -2.680 -5.970 562 HD1 HIS 69 HD1 HIS 69 -13.638 -0.755 -6.284 563 HD2 HIS 69 HD2 HIS 69 -11.842 -3.851 -4.174 564 HE1 HIS 69 HE1 HIS 69 -11.396 0.131 -5.567 565 H MET 70 H MET 70 -17.257 -3.095 -4.000 566 HA MET 70 HA MET 70 -18.666 -5.358 -5.248 567 HB2 MET 70 2HB MET 70 -18.984 -5.636 -2.896 568 HB3 MET 70 3HB MET 70 -19.344 -3.928 -2.680 569 HG2 MET 70 2HG MET 70 -21.490 -4.164 -3.294 570 HG3 MET 70 3HG MET 70 -21.115 -5.358 -4.534 571 HE1 MET 70 3HE MET 70 -21.901 -6.188 -0.079 572 HE2 MET 70 1HE MET 70 -20.507 -5.235 -0.588 573 HE3 MET 70 2HE MET 70 -22.139 -4.649 -0.908 574 H VAL 71 H VAL 71 -20.124 -4.819 -6.751 575 HA VAL 71 HA VAL 71 -21.030 -2.017 -6.872 576 HB VAL 71 HB VAL 71 -20.374 -3.744 -9.262 577 HG11 VAL 71 1HG1 VAL 71 -22.174 -2.084 -9.600 578 HG12 VAL 71 2HG1 VAL 71 -21.055 -0.810 -9.109 579 HG13 VAL 71 3HG1 VAL 71 -20.739 -1.748 -10.569 580 HG21 VAL 71 3HG2 VAL 71 -18.735 -1.931 -7.636 581 HG22 VAL 71 1HG2 VAL 71 -18.252 -3.227 -8.732 582 HG23 VAL 71 2HG2 VAL 71 -18.661 -1.636 -9.373 583 H VAL 72 H VAL 72 -23.130 -2.029 -6.408 584 HA VAL 72 HA VAL 72 -24.792 -4.302 -7.166 585 HB VAL 72 HB VAL 72 -25.897 -1.904 -5.771 586 HG11 VAL 72 1HG1 VAL 72 -27.624 -3.299 -5.657 587 HG12 VAL 72 2HG1 VAL 72 -26.655 -4.637 -6.277 588 HG13 VAL 72 3HG1 VAL 72 -26.678 -4.290 -4.547 589 HG21 VAL 72 3HG2 VAL 72 -25.145 -2.849 -3.602 590 HG22 VAL 72 1HG2 VAL 72 -24.118 -3.975 -4.489 591 HG23 VAL 72 2HG2 VAL 72 -23.822 -2.239 -4.595 592 H ALA 73 H ALA 73 -25.404 -4.228 -9.247 593 HA ALA 73 HA ALA 73 -26.626 -1.727 -10.220 594 HB1 ALA 73 1HB ALA 73 -25.847 -2.201 -12.432 595 HB2 ALA 73 2HB ALA 73 -24.470 -2.298 -11.333 596 HB3 ALA 73 3HB ALA 73 -25.227 -3.775 -11.931 597 H LEU 74 H LEU 74 -28.738 -2.220 -9.757 598 HA LEU 74 HA LEU 74 -29.868 -4.507 -11.226 599 HB2 LEU 74 2HB LEU 74 -30.540 -3.523 -8.466 600 HB3 LEU 74 3HB LEU 74 -31.613 -4.571 -9.391 601 HG LEU 74 HG LEU 74 -29.241 -5.946 -9.463 602 HD11 LEU 74 1HD1 LEU 74 -29.330 -5.503 -6.603 603 HD12 LEU 74 2HD1 LEU 74 -28.852 -4.052 -7.484 604 HD13 LEU 74 3HD1 LEU 74 -27.948 -5.551 -7.698 605 HD21 LEU 74 3HD2 LEU 74 -30.347 -7.289 -7.580 606 HD22 LEU 74 1HD2 LEU 74 -31.239 -7.093 -9.089 607 HD23 LEU 74 2HD2 LEU 74 -31.653 -6.107 -7.686 608 H ARG 75 H ARG 75 -29.572 -1.636 -11.907 609 HA ARG 75 HA ARG 75 -32.384 -1.150 -12.555 610 HB2 ARG 75 2HB ARG 75 -30.579 1.058 -11.567 611 HB3 ARG 75 3HB ARG 75 -32.300 1.156 -11.917 612 HG2 ARG 75 2HG ARG 75 -32.519 0.928 -9.701 613 HG3 ARG 75 3HG ARG 75 -32.277 -0.788 -10.036 614 HD2 ARG 75 2HD ARG 75 -30.511 -0.728 -8.688 615 HD3 ARG 75 3HD ARG 75 -29.712 0.304 -9.875 616 HE ARG 75 HE ARG 75 -30.027 2.093 -8.481 617 HH11 ARG 75 1HH1 ARG 75 -32.060 -0.537 -7.446 618 HH12 ARG 75 2HH1 ARG 75 -32.546 0.244 -5.978 619 HH21 ARG 75 1HH2 ARG 75 -30.660 3.132 -6.551 620 HH22 ARG 75 2HH2 ARG 75 -31.750 2.332 -5.470 621 H ALA 76 H ALA 76 -32.192 1.178 -13.919 622 HA ALA 76 HA ALA 76 -30.442 0.438 -16.159 623 HB1 ALA 76 1HB ALA 76 -32.432 0.597 -17.198 624 HB2 ALA 76 2HB ALA 76 -33.118 1.644 -15.954 625 HB3 ALA 76 3HB ALA 76 -32.071 2.324 -17.200 626 H GLY 77 H GLY 77 -29.330 2.115 -17.335 627 HA2 GLY 77 2HA GLY 77 -28.882 4.609 -17.299 628 HA3 GLY 77 3HA GLY 77 -28.592 4.373 -15.582 629 H CYS 78 H CYS 78 -27.603 2.339 -18.312 630 HA CYS 78 HA CYS 78 -25.565 1.518 -18.907 631 HB2 CYS 78 2HB CYS 78 -25.388 4.376 -18.816 632 HB3 CYS 78 3HB CYS 78 -23.846 3.695 -18.310 633 HG CYS 78 HG CYS 78 -23.624 2.090 -20.652 Start of MODEL 7 1 H MET 1 H MET 1 1.591 -0.491 0.462 2 HA MET 1 HA MET 1 1.853 0.455 -1.993 3 HB2 MET 1 2HB MET 1 3.663 -0.593 -0.555 4 HB3 MET 1 3HB MET 1 3.231 -2.134 -1.283 5 HG2 MET 1 2HG MET 1 4.147 -1.607 -3.290 6 HG3 MET 1 3HG MET 1 3.818 0.116 -3.113 7 HE1 MET 1 3HE MET 1 6.331 1.647 -3.027 8 HE2 MET 1 1HE MET 1 7.480 0.435 -3.595 9 HE3 MET 1 2HE MET 1 5.849 0.485 -4.264 10 H LEU 2 H LEU 2 1.443 -3.070 -1.599 11 HA LEU 2 HA LEU 2 0.229 -3.137 -4.276 12 HB2 LEU 2 2HB LEU 2 2.174 -4.511 -4.145 13 HB3 LEU 2 3HB LEU 2 1.615 -5.255 -2.648 14 HG LEU 2 HG LEU 2 -0.061 -5.604 -5.077 15 HD11 LEU 2 1HD1 LEU 2 1.765 -7.753 -5.004 16 HD12 LEU 2 2HD1 LEU 2 2.711 -6.266 -5.045 17 HD13 LEU 2 3HD1 LEU 2 1.509 -6.580 -6.296 18 HD21 LEU 2 3HD2 LEU 2 -1.042 -6.744 -3.385 19 HD22 LEU 2 1HD2 LEU 2 0.471 -6.961 -2.505 20 HD23 LEU 2 2HD2 LEU 2 0.098 -7.995 -3.884 21 H LEU 3 H LEU 3 -1.879 -3.494 -4.437 22 HA LEU 3 HA LEU 3 -3.236 -5.072 -2.375 23 HB2 LEU 3 2HB LEU 3 -4.917 -3.506 -1.991 24 HB3 LEU 3 3HB LEU 3 -3.427 -2.563 -1.971 25 HG LEU 3 HG LEU 3 -5.298 -2.737 -4.331 26 HD11 LEU 3 1HD1 LEU 3 -6.581 -1.179 -3.414 27 HD12 LEU 3 2HD1 LEU 3 -5.181 -0.164 -3.071 28 HD13 LEU 3 3HD1 LEU 3 -5.691 -1.385 -1.906 29 HD21 LEU 3 3HD2 LEU 3 -3.272 -2.108 -5.222 30 HD22 LEU 3 1HD2 LEU 3 -2.758 -1.282 -3.751 31 HD23 LEU 3 2HD2 LEU 3 -3.964 -0.540 -4.802 32 H LYS 4 H LYS 4 -5.104 -6.143 -3.070 33 HA LYS 4 HA LYS 4 -5.419 -6.242 -5.996 34 HB2 LYS 4 2HB LYS 4 -4.655 -8.354 -5.180 35 HB3 LYS 4 3HB LYS 4 -5.835 -8.349 -3.876 36 HG2 LYS 4 2HG LYS 4 -7.161 -8.140 -6.415 37 HG3 LYS 4 3HG LYS 4 -6.077 -9.533 -6.395 38 HD2 LYS 4 2HD LYS 4 -8.116 -8.933 -4.255 39 HD3 LYS 4 3HD LYS 4 -8.388 -10.033 -5.608 40 HE2 LYS 4 2HE LYS 4 -7.125 -11.660 -4.699 41 HE3 LYS 4 3HE LYS 4 -5.920 -10.524 -4.093 42 HZ1 LYS 4 3HZ LYS 4 -7.911 -9.945 -2.472 43 HZ2 LYS 4 1HZ LYS 4 -6.808 -11.184 -2.136 44 HZ3 LYS 4 2HZ LYS 4 -8.320 -11.555 -2.795 45 H VAL 5 H VAL 5 -7.152 -5.160 -6.655 46 HA VAL 5 HA VAL 5 -9.524 -5.064 -4.927 47 HB VAL 5 HB VAL 5 -10.278 -3.199 -6.345 48 HG11 VAL 5 1HG1 VAL 5 -7.529 -2.979 -5.139 49 HG12 VAL 5 2HG1 VAL 5 -8.453 -1.585 -5.703 50 HG13 VAL 5 3HG1 VAL 5 -9.077 -2.587 -4.392 51 HG21 VAL 5 3HG2 VAL 5 -8.120 -4.143 -8.032 52 HG22 VAL 5 1HG2 VAL 5 -9.475 -3.083 -8.420 53 HG23 VAL 5 2HG2 VAL 5 -8.002 -2.411 -7.721 54 H LYS 6 H LYS 6 -11.318 -6.133 -5.448 55 HA LYS 6 HA LYS 6 -11.643 -7.076 -8.218 56 HB2 LYS 6 2HB LYS 6 -12.673 -9.150 -7.278 57 HB3 LYS 6 3HB LYS 6 -10.954 -8.987 -6.942 58 HG2 LYS 6 2HG LYS 6 -12.121 -7.798 -4.757 59 HG3 LYS 6 3HG LYS 6 -13.209 -9.142 -5.114 60 HD2 LYS 6 2HD LYS 6 -10.327 -9.762 -5.207 61 HD3 LYS 6 3HD LYS 6 -10.977 -9.369 -3.614 62 HE2 LYS 6 2HE LYS 6 -12.056 -11.319 -3.468 63 HE3 LYS 6 3HE LYS 6 -12.699 -11.175 -5.103 64 HZ1 LYS 6 3HZ LYS 6 -11.339 -13.061 -5.131 65 HZ2 LYS 6 1HZ LYS 6 -10.102 -12.310 -4.254 66 HZ3 LYS 6 2HZ LYS 6 -10.397 -11.858 -5.857 67 H THR 7 H THR 7 -13.483 -6.434 -9.112 68 HA THR 7 HA THR 7 -15.531 -5.203 -7.469 69 HB THR 7 HB THR 7 -15.962 -5.519 -10.388 70 HG1 THR 7 HG1 THR 7 -13.830 -4.033 -9.243 71 HG21 THR 7 3HG2 THR 7 -17.553 -4.167 -9.365 72 HG22 THR 7 1HG2 THR 7 -16.406 -2.991 -10.005 73 HG23 THR 7 2HG2 THR 7 -16.372 -3.415 -8.293 74 H VAL 8 H VAL 8 -17.867 -5.664 -8.065 75 HA VAL 8 HA VAL 8 -18.446 -8.373 -7.505 76 HB VAL 8 HB VAL 8 -19.918 -6.479 -6.863 77 HG11 VAL 8 1HG1 VAL 8 -21.259 -5.326 -8.397 78 HG12 VAL 8 2HG1 VAL 8 -19.668 -5.377 -9.159 79 HG13 VAL 8 3HG1 VAL 8 -20.936 -6.484 -9.687 80 HG21 VAL 8 3HG2 VAL 8 -21.799 -8.049 -8.436 81 HG22 VAL 8 1HG2 VAL 8 -20.610 -9.042 -7.593 82 HG23 VAL 8 2HG2 VAL 8 -21.621 -7.916 -6.687 83 H SER 9 H SER 9 -17.678 -6.825 -10.400 84 HA SER 9 HA SER 9 -19.216 -8.617 -12.094 85 HB2 SER 9 2HB SER 9 -17.668 -6.138 -12.472 86 HB3 SER 9 3HB SER 9 -17.538 -7.295 -13.796 87 HG SER 9 HG SER 9 -19.328 -6.223 -14.316 88 H ASN 10 H ASN 10 -16.784 -9.279 -10.249 89 HA ASN 10 HA ASN 10 -15.177 -10.892 -10.235 90 HB2 ASN 10 2HB ASN 10 -16.986 -11.770 -12.137 91 HB3 ASN 10 3HB ASN 10 -15.449 -11.809 -12.995 92 HD21 ASN 10 1HD2 ASN 10 -17.452 -13.717 -11.439 93 HD22 ASN 10 2HD2 ASN 10 -16.357 -14.819 -10.682 94 H LYS 11 H LYS 11 -14.588 -8.212 -11.047 95 HA LYS 11 HA LYS 11 -12.421 -8.622 -12.993 96 HB2 LYS 11 2HB LYS 11 -13.909 -6.144 -12.132 97 HB3 LYS 11 3HB LYS 11 -12.419 -6.074 -13.063 98 HG2 LYS 11 2HG LYS 11 -13.549 -7.511 -14.786 99 HG3 LYS 11 3HG LYS 11 -15.050 -7.269 -13.890 100 HD2 LYS 11 2HD LYS 11 -15.245 -5.102 -14.538 101 HD3 LYS 11 3HD LYS 11 -13.499 -4.839 -14.555 102 HE2 LYS 11 2HE LYS 11 -14.048 -6.711 -16.583 103 HE3 LYS 11 3HE LYS 11 -15.269 -5.448 -16.729 104 HZ1 LYS 11 3HZ LYS 11 -12.353 -4.921 -16.562 105 HZ2 LYS 11 1HZ LYS 11 -13.574 -3.799 -16.899 106 HZ3 LYS 11 2HZ LYS 11 -13.215 -5.019 -18.014 107 H VAL 12 H VAL 12 -10.884 -9.474 -11.587 108 HA VAL 12 HA VAL 12 -10.110 -7.898 -9.255 109 HB VAL 12 HB VAL 12 -8.935 -10.510 -10.211 110 HG11 VAL 12 1HG1 VAL 12 -7.487 -9.271 -8.703 111 HG12 VAL 12 2HG1 VAL 12 -8.809 -9.100 -7.546 112 HG13 VAL 12 3HG1 VAL 12 -8.141 -10.695 -7.895 113 HG21 VAL 12 3HG2 VAL 12 -11.484 -9.961 -8.999 114 HG22 VAL 12 1HG2 VAL 12 -10.819 -11.494 -9.561 115 HG23 VAL 12 2HG2 VAL 12 -10.489 -10.939 -7.921 116 H ILE 13 H ILE 13 -8.319 -6.676 -9.138 117 HA ILE 13 HA ILE 13 -6.331 -6.879 -11.293 118 HB ILE 13 HB ILE 13 -7.489 -4.286 -10.262 119 HG12 ILE 13 2HG1 ILE 13 -8.995 -5.472 -11.804 120 HG13 ILE 13 3HG1 ILE 13 -8.353 -4.006 -12.537 121 HG21 ILE 13 1HG2 ILE 13 -5.153 -4.008 -10.722 122 HG22 ILE 13 2HG2 ILE 13 -5.312 -4.841 -12.268 123 HG23 ILE 13 3HG2 ILE 13 -6.070 -3.266 -12.033 124 HD11 ILE 13 3HD1 ILE 13 -7.662 -5.194 -14.261 125 HD12 ILE 13 1HD1 ILE 13 -6.600 -6.117 -13.198 126 HD13 ILE 13 2HD1 ILE 13 -8.248 -6.671 -13.497 127 H GLN 14 H GLN 14 -4.427 -7.296 -10.409 128 HA GLN 14 HA GLN 14 -3.879 -6.353 -7.685 129 HB2 GLN 14 2HB GLN 14 -2.009 -8.020 -7.756 130 HB3 GLN 14 3HB GLN 14 -3.615 -8.721 -7.897 131 HG2 GLN 14 2HG GLN 14 -2.605 -8.126 -10.503 132 HG3 GLN 14 3HG GLN 14 -1.415 -9.067 -9.605 133 HE21 GLN 14 1HE2 GLN 14 -2.488 -10.925 -8.322 134 HE22 GLN 14 2HE2 GLN 14 -3.607 -11.886 -9.221 135 H ILE 15 H ILE 15 -2.788 -4.513 -7.561 136 HA ILE 15 HA ILE 15 -0.663 -4.008 -9.541 137 HB ILE 15 HB ILE 15 -1.049 -1.596 -9.217 138 HG12 ILE 15 2HG1 ILE 15 -2.205 -2.116 -6.908 139 HG13 ILE 15 3HG1 ILE 15 -2.688 -0.710 -7.851 140 HG21 ILE 15 1HG2 ILE 15 -3.417 -1.603 -10.278 141 HG22 ILE 15 2HG2 ILE 15 -2.082 -2.372 -11.134 142 HG23 ILE 15 3HG2 ILE 15 -3.238 -3.357 -10.238 143 HD11 ILE 15 3HD1 ILE 15 -4.139 -3.258 -8.299 144 HD12 ILE 15 1HD1 ILE 15 -4.452 -2.362 -6.813 145 HD13 ILE 15 2HD1 ILE 15 -4.716 -1.593 -8.379 146 H THR 16 H THR 16 1.212 -2.907 -8.801 147 HA THR 16 HA THR 16 1.607 -3.045 -5.882 148 HB THR 16 HB THR 16 2.899 -4.813 -6.852 149 HG1 THR 16 HG1 THR 16 4.729 -4.268 -5.865 150 HG21 THR 16 3HG2 THR 16 3.316 -2.873 -8.981 151 HG22 THR 16 1HG2 THR 16 3.432 -4.632 -9.020 152 HG23 THR 16 2HG2 THR 16 4.811 -3.669 -8.489 153 H SER 17 H SER 17 0.743 -0.732 -6.346 154 HA SER 17 HA SER 17 2.904 1.062 -5.972 155 HB2 SER 17 2HB SER 17 3.317 1.133 -8.268 156 HB3 SER 17 3HB SER 17 1.611 0.962 -8.681 157 HG SER 17 HG SER 17 1.400 3.049 -8.590 158 H LEU 18 H LEU 18 1.566 1.402 -4.125 159 HA LEU 18 HA LEU 18 -0.915 2.891 -4.645 160 HB2 LEU 18 2HB LEU 18 -0.090 0.973 -2.626 161 HB3 LEU 18 3HB LEU 18 -0.771 2.437 -1.920 162 HG LEU 18 HG LEU 18 -2.134 0.611 -3.899 163 HD11 LEU 18 1HD1 LEU 18 -3.707 0.453 -1.828 164 HD12 LEU 18 2HD1 LEU 18 -2.265 0.935 -0.935 165 HD13 LEU 18 3HD1 LEU 18 -2.249 -0.536 -1.907 166 HD21 LEU 18 3HD2 LEU 18 -3.098 2.624 -4.405 167 HD22 LEU 18 1HD2 LEU 18 -2.817 3.290 -2.796 168 HD23 LEU 18 2HD2 LEU 18 -4.114 2.123 -3.053 169 H THR 19 H THR 19 -1.337 4.826 -3.482 170 HA THR 19 HA THR 19 1.069 6.385 -2.996 171 HB THR 19 HB THR 19 -1.549 7.679 -2.579 172 HG1 THR 19 HG1 THR 19 -0.776 6.689 -5.142 173 HG21 THR 19 3HG2 THR 19 1.089 8.404 -3.249 174 HG22 THR 19 1HG2 THR 19 -0.308 9.464 -3.069 175 HG23 THR 19 2HG2 THR 19 0.093 8.795 -4.650 176 H ASP 20 H ASP 20 0.698 8.126 -1.156 177 HA ASP 20 HA ASP 20 -0.178 6.690 1.263 178 HB2 ASP 20 2HB ASP 20 1.682 8.167 2.370 179 HB3 ASP 20 3HB ASP 20 2.120 6.670 1.551 180 H ASP 21 H ASP 21 -0.914 9.156 -0.697 181 HA ASP 21 HA ASP 21 -1.554 11.086 1.405 182 HB2 ASP 21 2HB ASP 21 -0.917 11.274 -1.389 183 HB3 ASP 21 3HB ASP 21 -2.495 12.003 -1.100 184 H ASN 22 H ASN 22 -3.184 9.365 -1.254 185 HA ASN 22 HA ASN 22 -5.713 9.676 0.226 186 HB2 ASN 22 2HB ASN 22 -5.114 9.739 -2.714 187 HB3 ASN 22 3HB ASN 22 -6.710 9.252 -2.151 188 HD21 ASN 22 1HD2 ASN 22 -5.868 11.590 -3.695 189 HD22 ASN 22 2HD2 ASN 22 -6.407 12.965 -2.799 190 H THR 23 H THR 23 -3.822 7.530 -1.861 191 HA THR 23 HA THR 23 -3.749 5.264 -2.061 192 HB THR 23 HB THR 23 -5.026 5.382 0.677 193 HG1 THR 23 HG1 THR 23 -2.368 4.627 0.088 194 HG21 THR 23 3HG2 THR 23 -4.069 3.070 -0.975 195 HG22 THR 23 1HG2 THR 23 -5.554 3.227 -0.038 196 HG23 THR 23 2HG2 THR 23 -4.010 3.005 0.786 197 H ILE 24 H ILE 24 -6.720 5.290 -0.149 198 HA ILE 24 HA ILE 24 -8.091 3.664 -2.039 199 HB ILE 24 HB ILE 24 -9.231 5.220 0.285 200 HG12 ILE 24 2HG1 ILE 24 -9.180 2.645 1.105 201 HG13 ILE 24 3HG1 ILE 24 -7.752 2.662 0.076 202 HG21 ILE 24 1HG2 ILE 24 -10.923 4.540 -1.339 203 HG22 ILE 24 2HG2 ILE 24 -10.352 2.876 -1.243 204 HG23 ILE 24 3HG2 ILE 24 -11.085 3.638 0.167 205 HD11 ILE 24 3HD1 ILE 24 -7.862 4.951 1.850 206 HD12 ILE 24 1HD1 ILE 24 -7.874 3.416 2.717 207 HD13 ILE 24 2HD1 ILE 24 -6.570 3.781 1.585 208 H ALA 25 H ALA 25 -8.480 7.062 -1.049 209 HA ALA 25 HA ALA 25 -10.574 7.715 -2.774 210 HB1 ALA 25 1HB ALA 25 -9.161 9.048 -0.864 211 HB2 ALA 25 2HB ALA 25 -8.635 9.865 -2.337 212 HB3 ALA 25 3HB ALA 25 -10.351 9.782 -1.939 213 H GLU 26 H GLU 26 -7.082 7.718 -3.294 214 HA GLU 26 HA GLU 26 -7.163 8.948 -5.851 215 HB2 GLU 26 2HB GLU 26 -5.118 8.941 -4.546 216 HB3 GLU 26 3HB GLU 26 -5.071 7.184 -4.569 217 HG2 GLU 26 2HG GLU 26 -3.888 7.232 -6.430 218 HG3 GLU 26 3HG GLU 26 -5.197 8.079 -7.252 219 H LEU 27 H LEU 27 -7.188 5.592 -4.758 220 HA LEU 27 HA LEU 27 -6.953 4.410 -7.315 221 HB2 LEU 27 2HB LEU 27 -7.280 3.551 -4.619 222 HB3 LEU 27 3HB LEU 27 -8.473 2.723 -5.618 223 HG LEU 27 HG LEU 27 -5.475 2.670 -5.949 224 HD11 LEU 27 1HD1 LEU 27 -6.895 0.153 -5.723 225 HD12 LEU 27 2HD1 LEU 27 -7.126 1.180 -4.308 226 HD13 LEU 27 3HD1 LEU 27 -5.497 0.749 -4.828 227 HD21 LEU 27 3HD2 LEU 27 -6.137 2.551 -8.142 228 HD22 LEU 27 1HD2 LEU 27 -7.697 1.828 -7.748 229 HD23 LEU 27 2HD2 LEU 27 -6.231 0.850 -7.681 230 H LYS 28 H LYS 28 -9.785 5.074 -5.267 231 HA LYS 28 HA LYS 28 -11.699 4.102 -7.101 232 HB2 LYS 28 2HB LYS 28 -13.344 5.238 -5.719 233 HB3 LYS 28 3HB LYS 28 -12.158 4.433 -4.700 234 HG2 LYS 28 2HG LYS 28 -10.997 6.610 -4.427 235 HG3 LYS 28 3HG LYS 28 -12.312 7.373 -5.323 236 HD2 LYS 28 2HD LYS 28 -12.650 5.794 -2.774 237 HD3 LYS 28 3HD LYS 28 -12.570 7.555 -2.866 238 HE2 LYS 28 2HE LYS 28 -14.512 7.292 -4.571 239 HE3 LYS 28 3HE LYS 28 -14.706 5.700 -3.841 240 HZ1 LYS 28 3HZ LYS 28 -14.966 8.345 -2.540 241 HZ2 LYS 28 1HZ LYS 28 -14.788 6.918 -1.648 242 HZ3 LYS 28 2HZ LYS 28 -16.127 7.120 -2.662 243 H GLY 29 H GLY 29 -10.299 7.303 -6.571 244 HA2 GLY 29 2HA GLY 29 -12.016 8.697 -8.346 245 HA3 GLY 29 3HA GLY 29 -10.448 9.252 -7.780 246 H LYS 30 H LYS 30 -9.003 6.954 -8.812 247 HA LYS 30 HA LYS 30 -8.527 7.924 -11.452 248 HB2 LYS 30 2HB LYS 30 -7.411 5.721 -9.761 249 HB3 LYS 30 3HB LYS 30 -7.059 5.741 -11.484 250 HG2 LYS 30 2HG LYS 30 -6.585 8.167 -9.800 251 HG3 LYS 30 3HG LYS 30 -5.404 6.856 -9.862 252 HD2 LYS 30 2HD LYS 30 -4.946 7.204 -12.107 253 HD3 LYS 30 3HD LYS 30 -6.480 8.027 -12.396 254 HE2 LYS 30 2HE LYS 30 -5.389 9.955 -12.197 255 HE3 LYS 30 3HE LYS 30 -5.170 9.582 -10.488 256 HZ1 LYS 30 3HZ LYS 30 -3.300 8.656 -12.593 257 HZ2 LYS 30 1HZ LYS 30 -3.065 8.635 -10.918 258 HZ3 LYS 30 2HZ LYS 30 -3.092 10.108 -11.750 259 H LEU 31 H LEU 31 -10.203 5.150 -10.093 260 HA LEU 31 HA LEU 31 -10.566 3.761 -12.542 261 HB2 LEU 31 2HB LEU 31 -10.809 2.956 -10.081 262 HB3 LEU 31 3HB LEU 31 -12.465 3.539 -10.242 263 HG LEU 31 HG LEU 31 -11.324 1.564 -12.192 264 HD11 LEU 31 1HD1 LEU 31 -12.306 1.078 -9.413 265 HD12 LEU 31 2HD1 LEU 31 -10.947 0.349 -10.266 266 HD13 LEU 31 3HD1 LEU 31 -12.597 -0.116 -10.678 267 HD21 LEU 31 3HD2 LEU 31 -14.053 2.468 -11.345 268 HD22 LEU 31 1HD2 LEU 31 -13.811 0.916 -12.147 269 HD23 LEU 31 2HD2 LEU 31 -13.352 2.411 -12.963 270 H GLU 32 H GLU 32 -12.573 6.036 -10.713 271 HA GLU 32 HA GLU 32 -14.812 5.900 -12.447 272 HB2 GLU 32 2HB GLU 32 -15.544 7.969 -11.315 273 HB3 GLU 32 3HB GLU 32 -15.049 6.723 -10.178 274 HG2 GLU 32 2HG GLU 32 -12.878 7.838 -9.924 275 HG3 GLU 32 3HG GLU 32 -13.415 9.104 -11.026 276 H GLU 33 H GLU 33 -11.975 7.994 -12.307 277 HA GLU 33 HA GLU 33 -12.822 9.802 -14.320 278 HB2 GLU 33 2HB GLU 33 -10.886 9.965 -12.548 279 HB3 GLU 33 3HB GLU 33 -9.926 9.234 -13.826 280 HG2 GLU 33 2HG GLU 33 -9.779 11.146 -14.941 281 HG3 GLU 33 3HG GLU 33 -11.509 11.454 -14.799 282 H SER 34 H SER 34 -11.069 6.761 -14.373 283 HA SER 34 HA SER 34 -10.155 6.883 -17.035 284 HB2 SER 34 2HB SER 34 -9.643 4.575 -16.818 285 HB3 SER 34 3HB SER 34 -9.435 5.253 -15.203 286 HG SER 34 HG SER 34 -10.672 3.546 -14.799 287 H GLU 35 H GLU 35 -13.107 5.523 -15.614 288 HA GLU 35 HA GLU 35 -14.133 4.773 -18.215 289 HB2 GLU 35 2HB GLU 35 -15.105 4.501 -15.394 290 HB3 GLU 35 3HB GLU 35 -16.230 4.288 -16.728 291 HG2 GLU 35 2HG GLU 35 -13.656 2.785 -16.724 292 HG3 GLU 35 3HG GLU 35 -14.989 2.242 -15.706 293 H GLY 36 H GLY 36 -13.945 7.609 -16.511 294 HA2 GLY 36 2HA GLY 36 -14.791 9.669 -17.271 295 HA3 GLY 36 3HA GLY 36 -16.036 8.804 -18.160 296 H ILE 37 H ILE 37 -17.131 7.241 -16.160 297 HA ILE 37 HA ILE 37 -17.977 9.123 -14.080 298 HB ILE 37 HB ILE 37 -20.359 8.308 -14.433 299 HG12 ILE 37 2HG1 ILE 37 -19.694 7.849 -17.290 300 HG13 ILE 37 3HG1 ILE 37 -19.298 6.551 -16.169 301 HG21 ILE 37 1HG2 ILE 37 -20.626 9.882 -16.482 302 HG22 ILE 37 2HG2 ILE 37 -20.025 10.532 -14.958 303 HG23 ILE 37 3HG2 ILE 37 -18.899 10.163 -16.264 304 HD11 ILE 37 3HD1 ILE 37 -21.486 6.224 -17.164 305 HD12 ILE 37 1HD1 ILE 37 -21.618 6.484 -15.425 306 HD13 ILE 37 2HD1 ILE 37 -22.014 7.789 -16.545 307 HA PRO 38 HA PRO 38 -17.785 5.659 -11.389 308 HB2 PRO 38 2HB PRO 38 -19.718 6.280 -9.588 309 HB3 PRO 38 3HB PRO 38 -18.169 7.127 -9.664 310 HG2 PRO 38 2HG PRO 38 -20.828 7.939 -10.774 311 HG3 PRO 38 3HG PRO 38 -19.625 8.922 -9.919 312 HD2 PRO 38 2HD PRO 38 -19.887 8.957 -12.614 313 HD3 PRO 38 3HD PRO 38 -18.326 9.196 -11.803 314 H GLY 39 H GLY 39 -18.613 3.637 -11.230 315 HA2 GLY 39 2HA GLY 39 -20.581 2.708 -12.928 316 HA3 GLY 39 3HA GLY 39 -20.053 1.864 -11.479 317 H ASN 40 H ASN 40 -20.926 3.568 -9.497 318 HA ASN 40 HA ASN 40 -23.500 4.571 -9.693 319 HB2 ASN 40 2HB ASN 40 -23.475 1.729 -9.849 320 HB3 ASN 40 3HB ASN 40 -24.160 2.173 -8.289 321 HD21 ASN 40 1HD2 ASN 40 -24.735 1.813 -11.576 322 HD22 ASN 40 2HD2 ASN 40 -26.296 2.550 -11.643 323 H MET 41 H MET 41 -22.196 2.183 -7.390 324 HA MET 41 HA MET 41 -22.396 4.228 -5.290 325 HB2 MET 41 2HB MET 41 -22.514 1.233 -5.269 326 HB3 MET 41 3HB MET 41 -22.070 2.103 -3.807 327 HG2 MET 41 2HG MET 41 -24.245 3.459 -4.309 328 HG3 MET 41 3HG MET 41 -24.666 2.036 -5.259 329 HE1 MET 41 3HE MET 41 -26.419 3.094 -3.065 330 HE2 MET 41 1HE MET 41 -26.377 2.271 -1.505 331 HE3 MET 41 2HE MET 41 -25.241 3.577 -1.843 332 H ILE 42 H ILE 42 -20.223 1.798 -6.657 333 HA ILE 42 HA ILE 42 -17.978 1.456 -6.449 334 HB ILE 42 HB ILE 42 -17.789 4.424 -5.966 335 HG12 ILE 42 2HG1 ILE 42 -19.288 4.070 -7.856 336 HG13 ILE 42 3HG1 ILE 42 -17.737 4.675 -8.426 337 HG21 ILE 42 1HG2 ILE 42 -15.607 4.048 -6.098 338 HG22 ILE 42 2HG2 ILE 42 -15.894 2.333 -6.386 339 HG23 ILE 42 3HG2 ILE 42 -15.827 3.455 -7.744 340 HD11 ILE 42 3HD1 ILE 42 -17.520 2.938 -9.769 341 HD12 ILE 42 1HD1 ILE 42 -17.686 1.823 -8.413 342 HD13 ILE 42 2HD1 ILE 42 -19.120 2.388 -9.271 343 H ARG 43 H ARG 43 -19.006 0.641 -4.204 344 HA ARG 43 HA ARG 43 -17.362 1.856 -2.080 345 HB2 ARG 43 2HB ARG 43 -20.032 1.833 -2.014 346 HB3 ARG 43 3HB ARG 43 -19.744 0.225 -1.363 347 HG2 ARG 43 2HG ARG 43 -19.877 1.553 0.527 348 HG3 ARG 43 3HG ARG 43 -18.139 1.402 0.264 349 HD2 ARG 43 2HD ARG 43 -17.919 3.602 0.018 350 HD3 ARG 43 3HD ARG 43 -19.195 3.645 -1.198 351 HE ARG 43 HE ARG 43 -20.447 3.425 1.263 352 HH11 ARG 43 1HH1 ARG 43 -18.369 5.687 -0.377 353 HH12 ARG 43 2HH1 ARG 43 -19.005 7.071 0.450 354 HH21 ARG 43 1HH2 ARG 43 -21.292 5.239 2.358 355 HH22 ARG 43 2HH2 ARG 43 -20.667 6.815 2.006 356 H LEU 44 H LEU 44 -15.752 0.601 -1.436 357 HA LEU 44 HA LEU 44 -15.958 -2.300 -1.862 358 HB2 LEU 44 2HB LEU 44 -13.492 -2.290 -1.651 359 HB3 LEU 44 3HB LEU 44 -14.094 -1.336 -3.004 360 HG LEU 44 HG LEU 44 -13.702 0.278 -0.623 361 HD11 LEU 44 1HD1 LEU 44 -11.888 -1.677 -0.630 362 HD12 LEU 44 2HD1 LEU 44 -11.510 -0.025 -0.144 363 HD13 LEU 44 3HD1 LEU 44 -11.114 -0.577 -1.771 364 HD21 LEU 44 3HD2 LEU 44 -13.756 0.610 -3.352 365 HD22 LEU 44 1HD2 LEU 44 -12.046 0.792 -2.961 366 HD23 LEU 44 2HD2 LEU 44 -13.244 1.818 -2.172 367 H VAL 45 H VAL 45 -15.106 -3.730 -0.230 368 HA VAL 45 HA VAL 45 -15.369 -2.609 2.483 369 HB VAL 45 HB VAL 45 -15.848 -5.469 1.638 370 HG11 VAL 45 1HG1 VAL 45 -16.632 -4.111 4.207 371 HG12 VAL 45 2HG1 VAL 45 -16.673 -5.835 3.830 372 HG13 VAL 45 3HG1 VAL 45 -15.126 -5.007 4.010 373 HG21 VAL 45 3HG2 VAL 45 -17.805 -4.760 0.842 374 HG22 VAL 45 1HG2 VAL 45 -18.246 -4.364 2.504 375 HG23 VAL 45 2HG2 VAL 45 -17.541 -3.130 1.460 376 H TYR 46 H TYR 46 -13.578 -2.561 3.655 377 HA TYR 46 HA TYR 46 -11.333 -4.287 2.883 378 HB2 TYR 46 2HB TYR 46 -11.304 -1.629 3.210 379 HB3 TYR 46 3HB TYR 46 -10.968 -2.106 4.870 380 HD1 TYR 46 HD1 TYR 46 -9.865 -3.397 1.535 381 HD2 TYR 46 HD2 TYR 46 -8.725 -1.896 5.349 382 HE1 TYR 46 HE1 TYR 46 -7.499 -3.732 0.953 383 HE2 TYR 46 HE2 TYR 46 -6.356 -2.226 4.778 384 HH TYR 46 HH TYR 46 -4.951 -3.319 3.311 385 H GLN 47 H GLN 47 -11.075 -6.073 4.033 386 HA GLN 47 HA GLN 47 -11.093 -7.574 5.743 387 HB2 GLN 47 2HB GLN 47 -9.734 -5.356 6.622 388 HB3 GLN 47 3HB GLN 47 -10.927 -5.586 7.894 389 HG2 GLN 47 2HG GLN 47 -9.250 -6.879 8.707 390 HG3 GLN 47 3HG GLN 47 -10.105 -8.082 7.743 391 HE21 GLN 47 1HE2 GLN 47 -9.044 -9.099 6.164 392 HE22 GLN 47 2HE2 GLN 47 -7.444 -8.719 5.637 393 H GLY 48 H GLY 48 -13.633 -6.552 4.875 394 HA2 GLY 48 2HA GLY 48 -15.810 -7.041 5.520 395 HA3 GLY 48 3HA GLY 48 -15.217 -7.414 7.132 396 H LYS 49 H LYS 49 -13.992 -4.464 6.236 397 HA LYS 49 HA LYS 49 -16.120 -3.070 7.713 398 HB2 LYS 49 2HB LYS 49 -13.268 -3.040 7.927 399 HB3 LYS 49 3HB LYS 49 -13.811 -1.434 7.460 400 HG2 LYS 49 2HG LYS 49 -14.382 -1.020 9.554 401 HG3 LYS 49 3HG LYS 49 -15.531 -2.360 9.511 402 HD2 LYS 49 2HD LYS 49 -12.592 -2.612 10.153 403 HD3 LYS 49 3HD LYS 49 -13.891 -2.561 11.348 404 HE2 LYS 49 2HE LYS 49 -14.572 -4.531 9.434 405 HE3 LYS 49 3HE LYS 49 -12.886 -4.792 9.880 406 HZ1 LYS 49 3HZ LYS 49 -15.287 -5.136 11.456 407 HZ2 LYS 49 1HZ LYS 49 -14.016 -4.371 12.269 408 HZ3 LYS 49 2HZ LYS 49 -13.785 -5.902 11.588 409 H GLN 50 H GLN 50 -16.501 -0.788 7.088 410 HA GLN 50 HA GLN 50 -16.257 -0.448 4.171 411 HB2 GLN 50 2HB GLN 50 -18.448 0.723 5.879 412 HB3 GLN 50 3HB GLN 50 -18.386 0.616 4.125 413 HG2 GLN 50 2HG GLN 50 -18.303 -1.954 4.579 414 HG3 GLN 50 3HG GLN 50 -18.997 -1.495 6.133 415 HE21 GLN 50 1HE2 GLN 50 -20.508 -3.077 4.694 416 HE22 GLN 50 2HE2 GLN 50 -21.817 -2.232 3.948 417 H LEU 51 H LEU 51 -16.272 1.821 3.428 418 HA LEU 51 HA LEU 51 -15.402 3.921 3.399 419 HB2 LEU 51 2HB LEU 51 -15.671 3.974 6.388 420 HB3 LEU 51 3HB LEU 51 -15.736 5.325 5.259 421 HG LEU 51 HG LEU 51 -17.842 3.178 5.512 422 HD11 LEU 51 1HD1 LEU 51 -18.322 4.303 7.401 423 HD12 LEU 51 2HD1 LEU 51 -19.040 5.464 6.285 424 HD13 LEU 51 3HD1 LEU 51 -17.413 5.733 6.909 425 HD21 LEU 51 3HD2 LEU 51 -19.105 5.101 4.253 426 HD22 LEU 51 1HD2 LEU 51 -18.111 3.945 3.367 427 HD23 LEU 51 2HD2 LEU 51 -17.477 5.548 3.741 428 H GLU 52 H GLU 52 -13.321 3.761 2.807 429 HA GLU 52 HA GLU 52 -11.332 3.363 4.943 430 HB2 GLU 52 2HB GLU 52 -10.927 2.548 2.069 431 HB3 GLU 52 3HB GLU 52 -9.916 2.155 3.453 432 HG2 GLU 52 2HG GLU 52 -12.747 1.200 3.107 433 HG3 GLU 52 3HG GLU 52 -11.322 0.278 2.631 434 H ASP 53 H ASP 53 -12.617 5.520 2.829 435 HA ASP 53 HA ASP 53 -10.493 6.797 1.592 436 HB2 ASP 53 2HB ASP 53 -13.182 7.272 1.816 437 HB3 ASP 53 3HB ASP 53 -12.502 8.625 2.716 438 H GLU 54 H GLU 54 -11.695 7.144 4.897 439 HA GLU 54 HA GLU 54 -9.991 9.294 5.612 440 HB2 GLU 54 2HB GLU 54 -12.063 7.833 6.828 441 HB3 GLU 54 3HB GLU 54 -10.659 7.621 7.865 442 HG2 GLU 54 2HG GLU 54 -10.970 10.372 7.031 443 HG3 GLU 54 3HG GLU 54 -12.405 9.764 7.853 444 H LYS 55 H LYS 55 -9.494 5.914 5.271 445 HA LYS 55 HA LYS 55 -7.031 5.978 6.851 446 HB2 LYS 55 2HB LYS 55 -8.724 3.787 5.701 447 HB3 LYS 55 3HB LYS 55 -7.046 3.467 6.119 448 HG2 LYS 55 2HG LYS 55 -8.210 2.827 8.016 449 HG3 LYS 55 3HG LYS 55 -7.647 4.451 8.416 450 HD2 LYS 55 2HD LYS 55 -10.175 4.636 7.098 451 HD3 LYS 55 3HD LYS 55 -10.297 3.468 8.416 452 HE2 LYS 55 2HE LYS 55 -9.065 6.188 8.771 453 HE3 LYS 55 3HE LYS 55 -10.791 5.898 8.980 454 HZ1 LYS 55 3HZ LYS 55 -9.704 3.956 10.487 455 HZ2 LYS 55 1HZ LYS 55 -10.215 5.456 11.081 456 HZ3 LYS 55 2HZ LYS 55 -8.585 5.206 10.706 457 H ARG 56 H ARG 56 -7.053 7.520 4.497 458 HA ARG 56 HA ARG 56 -6.127 6.387 2.176 459 HB2 ARG 56 2HB ARG 56 -4.662 8.596 2.112 460 HB3 ARG 56 3HB ARG 56 -6.411 8.646 1.938 461 HG2 ARG 56 2HG ARG 56 -5.494 8.798 4.708 462 HG3 ARG 56 3HG ARG 56 -4.956 10.137 3.692 463 HD2 ARG 56 2HD ARG 56 -7.552 9.937 2.945 464 HD3 ARG 56 3HD ARG 56 -7.654 9.430 4.631 465 HE ARG 56 HE ARG 56 -7.091 12.072 3.644 466 HH11 ARG 56 1HH1 ARG 56 -6.749 9.877 6.325 467 HH12 ARG 56 2HH1 ARG 56 -6.580 11.137 7.503 468 HH21 ARG 56 1HH2 ARG 56 -6.870 13.739 5.186 469 HH22 ARG 56 2HH2 ARG 56 -6.651 13.332 6.854 470 H LEU 57 H LEU 57 -3.784 8.045 4.252 471 HA LEU 57 HA LEU 57 -1.596 6.545 3.325 472 HB2 LEU 57 2HB LEU 57 -1.694 8.834 4.535 473 HB3 LEU 57 3HB LEU 57 -1.625 7.871 6.009 474 HG LEU 57 HG LEU 57 0.456 7.594 3.862 475 HD11 LEU 57 1HD1 LEU 57 1.778 9.278 4.827 476 HD12 LEU 57 2HD1 LEU 57 0.711 9.434 6.222 477 HD13 LEU 57 3HD1 LEU 57 0.179 9.996 4.638 478 HD21 LEU 57 3HD2 LEU 57 1.698 7.170 6.190 479 HD22 LEU 57 1HD2 LEU 57 0.865 5.894 5.303 480 HD23 LEU 57 2HD2 LEU 57 0.063 6.696 6.654 481 H LYS 58 H LYS 58 -3.741 6.126 6.072 482 HA LYS 58 HA LYS 58 -2.288 4.236 7.521 483 HB2 LYS 58 2HB LYS 58 -4.939 5.306 7.535 484 HB3 LYS 58 3HB LYS 58 -5.044 3.557 7.678 485 HG2 LYS 58 2HG LYS 58 -2.980 4.517 9.403 486 HG3 LYS 58 3HG LYS 58 -4.461 5.433 9.689 487 HD2 LYS 58 2HD LYS 58 -5.694 3.319 9.947 488 HD3 LYS 58 3HD LYS 58 -4.190 2.426 9.709 489 HE2 LYS 58 2HE LYS 58 -3.376 2.982 11.768 490 HE3 LYS 58 3HE LYS 58 -4.240 4.517 11.816 491 HZ1 LYS 58 3HZ LYS 58 -6.286 2.860 11.901 492 HZ2 LYS 58 1HZ LYS 58 -5.479 3.370 13.298 493 HZ3 LYS 58 2HZ LYS 58 -5.127 1.860 12.622 494 H ASP 59 H ASP 59 -4.070 3.938 4.562 495 HA ASP 59 HA ASP 59 -4.199 1.054 4.656 496 HB2 ASP 59 2HB ASP 59 -5.145 3.187 2.837 497 HB3 ASP 59 3HB ASP 59 -4.759 1.647 2.075 498 H TYR 60 H TYR 60 -1.901 3.388 3.770 499 HA TYR 60 HA TYR 60 -0.572 1.894 1.722 500 HB2 TYR 60 2HB TYR 60 -0.370 4.330 1.838 501 HB3 TYR 60 3HB TYR 60 0.405 4.205 3.414 502 HD1 TYR 60 HD1 TYR 60 0.885 2.583 0.072 503 HD2 TYR 60 HD2 TYR 60 2.661 4.640 3.346 504 HE1 TYR 60 HE1 TYR 60 3.080 2.424 -1.027 505 HE2 TYR 60 HE2 TYR 60 4.860 4.488 2.255 506 HH TYR 60 HH TYR 60 5.872 2.712 0.395 507 H GLN 61 H GLN 61 -0.599 1.818 5.146 508 HA GLN 61 HA GLN 61 2.010 0.646 5.459 509 HB2 GLN 61 2HB GLN 61 0.516 2.002 7.171 510 HB3 GLN 61 3HB GLN 61 -0.102 0.401 7.554 511 HG2 GLN 61 2HG GLN 61 2.254 -0.327 7.944 512 HG3 GLN 61 3HG GLN 61 2.739 1.358 7.761 513 HE21 GLN 61 1HE2 GLN 61 3.047 2.332 9.617 514 HE22 GLN 61 2HE2 GLN 61 2.175 2.050 11.081 515 H MET 62 H MET 62 -0.788 -0.506 4.189 516 HA MET 62 HA MET 62 -0.705 -3.156 5.353 517 HB2 MET 62 2HB MET 62 -2.295 -2.309 2.938 518 HB3 MET 62 3HB MET 62 -2.623 -3.640 4.039 519 HG2 MET 62 2HG MET 62 -2.789 -0.714 4.724 520 HG3 MET 62 3HG MET 62 -4.154 -1.773 4.378 521 HE1 MET 62 3HE MET 62 -4.855 -0.482 6.353 522 HE2 MET 62 1HE MET 62 -5.474 -1.880 7.232 523 HE3 MET 62 2HE MET 62 -4.370 -0.757 8.026 524 H SER 63 H SER 63 -0.634 -2.077 1.954 525 HA SER 63 HA SER 63 0.457 -2.889 0.129 526 HB2 SER 63 2HB SER 63 2.650 -3.757 2.010 527 HB3 SER 63 3HB SER 63 2.795 -3.233 0.332 528 HG SER 63 HG SER 63 2.078 -1.632 2.563 529 H ALA 64 H ALA 64 -1.250 -4.696 1.776 530 HA ALA 64 HA ALA 64 -0.933 -7.046 0.286 531 HB1 ALA 64 1HB ALA 64 0.297 -7.089 3.022 532 HB2 ALA 64 2HB ALA 64 -0.320 -8.556 2.261 533 HB3 ALA 64 3HB ALA 64 0.978 -7.643 1.491 534 H GLY 65 H GLY 65 -3.075 -5.425 0.869 535 HA2 GLY 65 2HA GLY 65 -4.721 -7.163 2.604 536 HA3 GLY 65 3HA GLY 65 -4.934 -5.420 2.528 537 H ALA 66 H ALA 66 -6.242 -8.236 1.552 538 HA ALA 66 HA ALA 66 -6.861 -7.840 -1.159 539 HB1 ALA 66 1HB ALA 66 -8.843 -9.355 -0.612 540 HB2 ALA 66 2HB ALA 66 -7.226 -9.996 -0.320 541 HB3 ALA 66 3HB ALA 66 -8.196 -9.403 1.028 542 H THR 67 H THR 67 -8.395 -6.688 -2.195 543 HA THR 67 HA THR 67 -10.296 -5.154 -0.544 544 HB THR 67 HB THR 67 -9.860 -3.776 -2.990 545 HG1 THR 67 HG1 THR 67 -7.503 -3.311 -2.320 546 HG21 THR 67 3HG2 THR 67 -10.377 -3.102 -0.462 547 HG22 THR 67 1HG2 THR 67 -9.684 -1.964 -1.616 548 HG23 THR 67 2HG2 THR 67 -8.640 -2.800 -0.466 549 H PHE 68 H PHE 68 -12.383 -5.023 -1.240 550 HA PHE 68 HA PHE 68 -13.042 -6.309 -3.802 551 HB2 PHE 68 2HB PHE 68 -13.586 -7.980 -2.216 552 HB3 PHE 68 3HB PHE 68 -14.274 -6.807 -1.098 553 HD1 PHE 68 HD1 PHE 68 -14.786 -8.053 -4.576 554 HD2 PHE 68 HD2 PHE 68 -16.559 -6.656 -0.968 555 HE1 PHE 68 HE1 PHE 68 -17.021 -8.479 -5.514 556 HE2 PHE 68 HE2 PHE 68 -18.796 -7.081 -1.899 557 HZ PHE 68 HZ PHE 68 -19.030 -7.995 -4.174 558 H HIS 69 H HIS 69 -13.933 -4.818 -5.058 559 HA HIS 69 HA HIS 69 -15.380 -2.581 -3.880 560 HB2 HIS 69 2HB HIS 69 -14.426 -3.164 -6.684 561 HB3 HIS 69 3HB HIS 69 -15.430 -1.772 -6.288 562 HD1 HIS 69 HD1 HIS 69 -12.477 -3.072 -4.298 563 HD2 HIS 69 HD2 HIS 69 -13.612 0.245 -6.527 564 HE1 HIS 69 HE1 HIS 69 -10.633 -1.390 -3.986 565 H MET 70 H MET 70 -17.521 -2.088 -4.300 566 HA MET 70 HA MET 70 -19.085 -4.154 -5.697 567 HB2 MET 70 2HB MET 70 -19.358 -4.472 -3.295 568 HB3 MET 70 3HB MET 70 -19.796 -2.780 -3.099 569 HG2 MET 70 2HG MET 70 -21.918 -3.245 -3.488 570 HG3 MET 70 3HG MET 70 -21.509 -3.960 -5.046 571 HE1 MET 70 3HE MET 70 -21.075 -4.729 -1.236 572 HE2 MET 70 1HE MET 70 -22.820 -4.627 -1.475 573 HE3 MET 70 2HE MET 70 -22.076 -6.171 -1.059 574 H VAL 71 H VAL 71 -20.488 -3.412 -7.167 575 HA VAL 71 HA VAL 71 -21.150 -0.540 -7.131 576 HB VAL 71 HB VAL 71 -19.577 -0.854 -8.913 577 HG11 VAL 71 1HG1 VAL 71 -20.008 -3.353 -9.056 578 HG12 VAL 71 2HG1 VAL 71 -21.354 -2.954 -10.126 579 HG13 VAL 71 3HG1 VAL 71 -19.707 -2.515 -10.578 580 HG21 VAL 71 3HG2 VAL 71 -20.809 0.003 -10.737 581 HG22 VAL 71 1HG2 VAL 71 -22.278 -0.835 -10.236 582 HG23 VAL 71 2HG2 VAL 71 -21.671 0.525 -9.290 583 H VAL 72 H VAL 72 -23.240 -0.360 -6.667 584 HA VAL 72 HA VAL 72 -25.112 -2.441 -7.484 585 HB VAL 72 HB VAL 72 -25.966 0.008 -6.001 586 HG11 VAL 72 1HG1 VAL 72 -26.749 -2.902 -5.920 587 HG12 VAL 72 2HG1 VAL 72 -27.427 -1.654 -4.874 588 HG13 VAL 72 3HG1 VAL 72 -27.670 -1.571 -6.619 589 HG21 VAL 72 3HG2 VAL 72 -25.321 -1.097 -3.873 590 HG22 VAL 72 1HG2 VAL 72 -24.419 -2.289 -4.809 591 HG23 VAL 72 2HG2 VAL 72 -23.940 -0.592 -4.847 592 H ALA 73 H ALA 73 -25.721 -2.245 -9.559 593 HA ALA 73 HA ALA 73 -26.770 0.371 -10.421 594 HB1 ALA 73 1HB ALA 73 -24.605 -0.235 -11.515 595 HB2 ALA 73 2HB ALA 73 -25.426 -1.618 -12.239 596 HB3 ALA 73 3HB ALA 73 -25.946 0.021 -12.631 597 H LEU 74 H LEU 74 -28.171 -1.867 -9.186 598 HA LEU 74 HA LEU 74 -30.167 -2.937 -9.401 599 HB2 LEU 74 2HB LEU 74 -30.370 -0.732 -11.033 600 HB3 LEU 74 3HB LEU 74 -30.797 -2.060 -12.110 601 HG LEU 74 HG LEU 74 -32.773 -1.040 -11.098 602 HD11 LEU 74 1HD1 LEU 74 -33.801 -3.090 -10.236 603 HD12 LEU 74 2HD1 LEU 74 -32.207 -3.830 -10.104 604 HD13 LEU 74 3HD1 LEU 74 -32.847 -3.395 -11.688 605 HD21 LEU 74 3HD2 LEU 74 -32.683 -0.318 -9.001 606 HD22 LEU 74 1HD2 LEU 74 -31.161 -1.167 -8.726 607 HD23 LEU 74 2HD2 LEU 74 -32.694 -1.999 -8.465 608 H ARG 75 H ARG 75 -27.592 -3.952 -10.584 609 HA ARG 75 HA ARG 75 -28.240 -5.481 -12.892 610 HB2 ARG 75 2HB ARG 75 -25.998 -5.552 -10.893 611 HB3 ARG 75 3HB ARG 75 -26.145 -6.800 -12.123 612 HG2 ARG 75 2HG ARG 75 -25.910 -3.846 -12.659 613 HG3 ARG 75 3HG ARG 75 -24.600 -5.022 -12.782 614 HD2 ARG 75 2HD ARG 75 -26.213 -6.254 -14.404 615 HD3 ARG 75 3HD ARG 75 -27.020 -4.690 -14.509 616 HE ARG 75 HE ARG 75 -24.516 -5.420 -15.687 617 HH11 ARG 75 1HH1 ARG 75 -26.381 -2.770 -14.417 618 HH12 ARG 75 2HH1 ARG 75 -25.556 -1.569 -15.354 619 HH21 ARG 75 1HH2 ARG 75 -23.421 -3.849 -16.926 620 HH22 ARG 75 2HH2 ARG 75 -23.873 -2.184 -16.782 621 H ALA 76 H ALA 76 -27.580 -8.020 -12.558 622 HA ALA 76 HA ALA 76 -28.696 -9.274 -10.259 623 HB1 ALA 76 1HB ALA 76 -30.808 -9.744 -10.850 624 HB2 ALA 76 2HB ALA 76 -30.630 -8.369 -11.941 625 HB3 ALA 76 3HB ALA 76 -30.383 -10.009 -12.541 626 H GLY 77 H GLY 77 -29.337 -11.724 -11.088 627 HA2 GLY 77 2HA GLY 77 -28.638 -13.593 -12.349 628 HA3 GLY 77 3HA GLY 77 -27.341 -12.620 -13.028 629 H CYS 78 H CYS 78 -28.078 -12.882 -9.600 630 HA CYS 78 HA CYS 78 -26.829 -13.575 -7.831 631 HB2 CYS 78 2HB CYS 78 -26.776 -15.707 -9.780 632 HB3 CYS 78 3HB CYS 78 -25.281 -15.686 -8.853 633 HG CYS 78 HG CYS 78 -28.423 -15.866 -7.505 Start of MODEL 8 1 H MET 1 H MET 1 1.344 0.135 0.668 2 HA MET 1 HA MET 1 1.529 1.177 -1.854 3 HB2 MET 1 2HB MET 1 3.383 0.375 -0.241 4 HB3 MET 1 3HB MET 1 3.219 -1.177 -1.053 5 HG2 MET 1 2HG MET 1 3.567 0.145 -3.221 6 HG3 MET 1 3HG MET 1 4.146 1.438 -2.172 7 HE1 MET 1 3HE MET 1 7.450 0.789 -1.226 8 HE2 MET 1 1HE MET 1 7.179 1.262 -2.903 9 HE3 MET 1 2HE MET 1 6.103 1.852 -1.637 10 H LEU 2 H LEU 2 1.588 -2.338 -1.232 11 HA LEU 2 HA LEU 2 0.435 -2.737 -3.907 12 HB2 LEU 2 2HB LEU 2 2.491 -3.855 -3.791 13 HB3 LEU 2 3HB LEU 2 2.176 -4.441 -2.159 14 HG LEU 2 HG LEU 2 0.376 -5.410 -4.305 15 HD11 LEU 2 1HD1 LEU 2 2.480 -7.225 -4.309 16 HD12 LEU 2 2HD1 LEU 2 3.248 -5.647 -4.475 17 HD13 LEU 2 3HD1 LEU 2 2.006 -6.147 -5.622 18 HD21 LEU 2 3HD2 LEU 2 1.560 -6.410 -1.751 19 HD22 LEU 2 1HD2 LEU 2 0.937 -7.555 -2.940 20 HD23 LEU 2 2HD2 LEU 2 -0.130 -6.330 -2.252 21 H LEU 3 H LEU 3 -1.624 -3.314 -4.020 22 HA LEU 3 HA LEU 3 -2.759 -5.013 -1.923 23 HB2 LEU 3 2HB LEU 3 -4.728 -3.661 -1.712 24 HB3 LEU 3 3HB LEU 3 -3.308 -2.672 -1.379 25 HG LEU 3 HG LEU 3 -4.326 -2.584 -4.150 26 HD11 LEU 3 1HD1 LEU 3 -6.264 -2.526 -2.286 27 HD12 LEU 3 2HD1 LEU 3 -6.317 -1.597 -3.783 28 HD13 LEU 3 3HD1 LEU 3 -5.785 -0.829 -2.287 29 HD21 LEU 3 3HD2 LEU 3 -2.628 -1.086 -3.854 30 HD22 LEU 3 1HD2 LEU 3 -3.031 -0.792 -2.162 31 HD23 LEU 3 2HD2 LEU 3 -4.002 -0.059 -3.440 32 H LYS 4 H LYS 4 -4.533 -6.276 -2.580 33 HA LYS 4 HA LYS 4 -4.813 -6.493 -5.502 34 HB2 LYS 4 2HB LYS 4 -3.899 -8.507 -4.609 35 HB3 LYS 4 3HB LYS 4 -5.080 -8.545 -3.306 36 HG2 LYS 4 2HG LYS 4 -6.858 -8.952 -4.946 37 HG3 LYS 4 3HG LYS 4 -5.653 -8.951 -6.236 38 HD2 LYS 4 2HD LYS 4 -5.550 -11.163 -5.892 39 HD3 LYS 4 3HD LYS 4 -4.606 -10.753 -4.457 40 HE2 LYS 4 2HE LYS 4 -7.046 -10.497 -3.422 41 HE3 LYS 4 3HE LYS 4 -7.422 -11.656 -4.696 42 HZ1 LYS 4 3HZ LYS 4 -6.799 -12.642 -2.503 43 HZ2 LYS 4 1HZ LYS 4 -5.230 -12.055 -2.741 44 HZ3 LYS 4 2HZ LYS 4 -5.879 -13.192 -3.811 45 H VAL 5 H VAL 5 -6.621 -5.597 -6.232 46 HA VAL 5 HA VAL 5 -9.013 -5.600 -4.531 47 HB VAL 5 HB VAL 5 -9.900 -3.885 -6.043 48 HG11 VAL 5 1HG1 VAL 5 -8.694 -2.136 -5.151 49 HG12 VAL 5 2HG1 VAL 5 -8.240 -3.456 -4.072 50 HG13 VAL 5 3HG1 VAL 5 -7.146 -2.954 -5.362 51 HG21 VAL 5 3HG2 VAL 5 -7.283 -4.267 -7.487 52 HG22 VAL 5 1HG2 VAL 5 -8.912 -4.493 -8.126 53 HG23 VAL 5 2HG2 VAL 5 -8.339 -2.874 -7.724 54 H LYS 6 H LYS 6 -10.742 -6.796 -5.014 55 HA LYS 6 HA LYS 6 -10.941 -7.955 -7.713 56 HB2 LYS 6 2HB LYS 6 -11.834 -10.031 -6.654 57 HB3 LYS 6 3HB LYS 6 -10.142 -9.717 -6.287 58 HG2 LYS 6 2HG LYS 6 -11.446 -8.476 -4.217 59 HG3 LYS 6 3HG LYS 6 -12.441 -9.904 -4.511 60 HD2 LYS 6 2HD LYS 6 -9.504 -10.294 -4.454 61 HD3 LYS 6 3HD LYS 6 -10.297 -9.937 -2.918 62 HE2 LYS 6 2HE LYS 6 -11.251 -12.093 -4.786 63 HE3 LYS 6 3HE LYS 6 -10.055 -12.386 -3.526 64 HZ1 LYS 6 3HZ LYS 6 -11.637 -12.463 -1.990 65 HZ2 LYS 6 1HZ LYS 6 -12.776 -12.481 -3.242 66 HZ3 LYS 6 2HZ LYS 6 -12.341 -11.017 -2.515 67 H THR 7 H THR 7 -12.811 -7.536 -8.676 68 HA THR 7 HA THR 7 -14.965 -6.322 -7.161 69 HB THR 7 HB THR 7 -15.494 -6.865 -9.991 70 HG1 THR 7 HG1 THR 7 -13.895 -5.399 -10.731 71 HG21 THR 7 3HG2 THR 7 -15.418 -4.387 -8.270 72 HG22 THR 7 1HG2 THR 7 -16.843 -5.304 -8.755 73 HG23 THR 7 2HG2 THR 7 -15.922 -4.404 -9.960 74 H VAL 8 H VAL 8 -17.254 -6.995 -7.741 75 HA VAL 8 HA VAL 8 -17.649 -9.684 -6.963 76 HB VAL 8 HB VAL 8 -19.259 -7.855 -6.487 77 HG11 VAL 8 1HG1 VAL 8 -20.324 -6.671 -8.068 78 HG12 VAL 8 2HG1 VAL 8 -19.036 -7.245 -9.131 79 HG13 VAL 8 3HG1 VAL 8 -20.587 -8.085 -9.089 80 HG21 VAL 8 3HG2 VAL 8 -19.785 -10.406 -6.653 81 HG22 VAL 8 1HG2 VAL 8 -21.099 -9.245 -6.464 82 HG23 VAL 8 2HG2 VAL 8 -20.742 -9.921 -8.053 83 H SER 9 H SER 9 -16.944 -8.330 -9.966 84 HA SER 9 HA SER 9 -18.339 -10.346 -11.525 85 HB2 SER 9 2HB SER 9 -16.894 -7.830 -12.097 86 HB3 SER 9 3HB SER 9 -16.752 -9.084 -13.329 87 HG SER 9 HG SER 9 -18.620 -7.535 -13.406 88 H ASN 10 H ASN 10 -15.903 -10.705 -9.602 89 HA ASN 10 HA ASN 10 -14.205 -12.213 -9.436 90 HB2 ASN 10 2HB ASN 10 -15.922 -13.348 -11.286 91 HB3 ASN 10 3HB ASN 10 -14.371 -13.359 -12.120 92 HD21 ASN 10 1HD2 ASN 10 -15.714 -14.060 -8.911 93 HD22 ASN 10 2HD2 ASN 10 -14.786 -15.493 -8.649 94 H LYS 11 H LYS 11 -13.766 -9.573 -10.457 95 HA LYS 11 HA LYS 11 -11.544 -10.000 -12.337 96 HB2 LYS 11 2HB LYS 11 -13.186 -7.558 -11.680 97 HB3 LYS 11 3HB LYS 11 -11.687 -7.468 -12.595 98 HG2 LYS 11 2HG LYS 11 -12.710 -9.102 -14.214 99 HG3 LYS 11 3HG LYS 11 -14.237 -8.860 -13.363 100 HD2 LYS 11 2HD LYS 11 -14.407 -6.645 -14.039 101 HD3 LYS 11 3HD LYS 11 -12.679 -6.511 -14.371 102 HE2 LYS 11 2HE LYS 11 -13.886 -8.557 -16.005 103 HE3 LYS 11 3HE LYS 11 -14.728 -7.021 -16.203 104 HZ1 LYS 11 3HZ LYS 11 -11.954 -7.715 -16.848 105 HZ2 LYS 11 1HZ LYS 11 -12.299 -6.122 -16.395 106 HZ3 LYS 11 2HZ LYS 11 -13.071 -6.806 -17.736 107 H VAL 12 H VAL 12 -10.011 -10.677 -10.818 108 HA VAL 12 HA VAL 12 -9.348 -8.867 -8.626 109 HB VAL 12 HB VAL 12 -8.043 -11.498 -9.325 110 HG11 VAL 12 1HG1 VAL 12 -7.275 -9.494 -7.559 111 HG12 VAL 12 2HG1 VAL 12 -8.048 -10.712 -6.543 112 HG13 VAL 12 3HG1 VAL 12 -6.697 -11.160 -7.585 113 HG21 VAL 12 3HG2 VAL 12 -9.597 -11.865 -7.059 114 HG22 VAL 12 1HG2 VAL 12 -10.626 -10.930 -8.143 115 HG23 VAL 12 2HG2 VAL 12 -9.946 -12.466 -8.680 116 H ILE 13 H ILE 13 -7.609 -7.566 -8.588 117 HA ILE 13 HA ILE 13 -5.567 -7.876 -10.676 118 HB ILE 13 HB ILE 13 -6.836 -5.240 -9.924 119 HG12 ILE 13 2HG1 ILE 13 -8.309 -6.633 -11.320 120 HG13 ILE 13 3HG1 ILE 13 -7.721 -5.232 -12.209 121 HG21 ILE 13 1HG2 ILE 13 -4.610 -4.766 -10.441 122 HG22 ILE 13 2HG2 ILE 13 -4.549 -5.983 -11.715 123 HG23 ILE 13 3HG2 ILE 13 -5.464 -4.495 -11.960 124 HD11 ILE 13 3HD1 ILE 13 -6.941 -6.552 -13.794 125 HD12 ILE 13 1HD1 ILE 13 -5.921 -7.391 -12.627 126 HD13 ILE 13 2HD1 ILE 13 -7.567 -7.952 -12.923 127 H GLN 14 H GLN 14 -3.533 -7.657 -9.964 128 HA GLN 14 HA GLN 14 -3.156 -6.787 -7.183 129 HB2 GLN 14 2HB GLN 14 -1.002 -8.032 -7.317 130 HB3 GLN 14 3HB GLN 14 -2.419 -9.047 -7.549 131 HG2 GLN 14 2HG GLN 14 -1.625 -9.756 -9.481 132 HG3 GLN 14 3HG GLN 14 -1.568 -8.103 -10.090 133 HE21 GLN 14 1HE2 GLN 14 0.336 -7.706 -10.939 134 HE22 GLN 14 2HE2 GLN 14 1.864 -8.187 -10.293 135 H ILE 15 H ILE 15 -2.428 -4.788 -6.944 136 HA ILE 15 HA ILE 15 -0.612 -3.696 -8.992 137 HB ILE 15 HB ILE 15 -1.406 -1.507 -8.527 138 HG12 ILE 15 2HG1 ILE 15 -2.762 -2.794 -6.165 139 HG13 ILE 15 3HG1 ILE 15 -1.623 -1.451 -6.175 140 HG21 ILE 15 1HG2 ILE 15 -2.860 -3.129 -9.875 141 HG22 ILE 15 2HG2 ILE 15 -3.924 -3.136 -8.469 142 HG23 ILE 15 3HG2 ILE 15 -3.601 -1.627 -9.323 143 HD11 ILE 15 3HD1 ILE 15 -4.485 -1.422 -7.093 144 HD12 ILE 15 1HD1 ILE 15 -3.794 -0.600 -5.694 145 HD13 ILE 15 2HD1 ILE 15 -3.356 -0.087 -7.324 146 H THR 16 H THR 16 1.117 -2.347 -8.289 147 HA THR 16 HA THR 16 1.792 -2.477 -5.441 148 HB THR 16 HB THR 16 2.970 -4.372 -6.326 149 HG1 THR 16 HG1 THR 16 4.907 -2.298 -6.241 150 HG21 THR 16 3HG2 THR 16 4.788 -3.199 -8.171 151 HG22 THR 16 1HG2 THR 16 3.151 -2.783 -8.676 152 HG23 THR 16 2HG2 THR 16 3.604 -4.474 -8.458 153 H SER 17 H SER 17 0.938 -0.193 -6.144 154 HA SER 17 HA SER 17 3.111 1.588 -5.969 155 HB2 SER 17 2HB SER 17 3.569 1.258 -8.267 156 HB3 SER 17 3HB SER 17 1.858 1.264 -8.692 157 HG SER 17 HG SER 17 1.926 3.357 -8.831 158 H LEU 18 H LEU 18 1.489 1.914 -4.223 159 HA LEU 18 HA LEU 18 -0.755 3.610 -5.081 160 HB2 LEU 18 2HB LEU 18 -0.454 1.577 -3.064 161 HB3 LEU 18 3HB LEU 18 -0.976 3.095 -2.338 162 HG LEU 18 HG LEU 18 -2.842 1.572 -2.910 163 HD11 LEU 18 1HD1 LEU 18 -2.595 4.329 -3.421 164 HD12 LEU 18 2HD1 LEU 18 -4.060 3.415 -3.065 165 HD13 LEU 18 3HD1 LEU 18 -3.552 3.648 -4.738 166 HD21 LEU 18 3HD2 LEU 18 -3.455 1.350 -5.300 167 HD22 LEU 18 1HD2 LEU 18 -1.957 0.517 -4.884 168 HD23 LEU 18 2HD2 LEU 18 -1.900 2.062 -5.732 169 H THR 19 H THR 19 -1.183 5.566 -3.947 170 HA THR 19 HA THR 19 1.235 6.954 -3.174 171 HB THR 19 HB THR 19 -1.337 8.368 -2.882 172 HG1 THR 19 HG1 THR 19 -1.220 8.513 -5.363 173 HG21 THR 19 3HG2 THR 19 -0.065 10.146 -3.387 174 HG22 THR 19 1HG2 THR 19 0.650 9.348 -4.787 175 HG23 THR 19 2HG2 THR 19 1.307 9.059 -3.176 176 H ASP 20 H ASP 20 0.814 8.650 -1.296 177 HA ASP 20 HA ASP 20 -0.220 7.132 1.010 178 HB2 ASP 20 2HB ASP 20 1.576 7.794 2.324 179 HB3 ASP 20 3HB ASP 20 2.346 7.561 0.757 180 H ASP 21 H ASP 21 -1.062 9.531 -0.903 181 HA ASP 21 HA ASP 21 -1.786 11.456 1.178 182 HB2 ASP 21 2HB ASP 21 -1.187 11.635 -1.628 183 HB3 ASP 21 3HB ASP 21 -2.792 12.295 -1.325 184 H ASN 22 H ASN 22 -3.335 9.600 -1.437 185 HA ASN 22 HA ASN 22 -5.873 9.815 0.045 186 HB2 ASN 22 2HB ASN 22 -5.282 9.822 -2.897 187 HB3 ASN 22 3HB ASN 22 -6.849 9.265 -2.316 188 HD21 ASN 22 1HD2 ASN 22 -7.588 10.875 -0.408 189 HD22 ASN 22 2HD2 ASN 22 -7.639 12.525 -0.918 190 H THR 23 H THR 23 -3.856 7.710 -1.959 191 HA THR 23 HA THR 23 -3.662 5.446 -2.088 192 HB THR 23 HB THR 23 -4.968 5.584 0.634 193 HG1 THR 23 HG1 THR 23 -2.695 5.054 1.199 194 HG21 THR 23 3HG2 THR 23 -3.868 3.270 -0.927 195 HG22 THR 23 1HG2 THR 23 -5.382 3.384 -0.032 196 HG23 THR 23 2HG2 THR 23 -3.852 3.266 0.836 197 H ILE 24 H ILE 24 -6.647 5.366 -0.202 198 HA ILE 24 HA ILE 24 -7.910 3.619 -2.062 199 HB ILE 24 HB ILE 24 -9.156 5.158 0.219 200 HG12 ILE 24 2HG1 ILE 24 -8.951 2.611 1.103 201 HG13 ILE 24 3HG1 ILE 24 -7.518 2.693 0.085 202 HG21 ILE 24 1HG2 ILE 24 -11.091 4.305 -0.447 203 HG22 ILE 24 2HG2 ILE 24 -10.294 3.520 -1.810 204 HG23 ILE 24 3HG2 ILE 24 -10.431 2.679 -0.266 205 HD11 ILE 24 3HD1 ILE 24 -7.754 5.024 1.770 206 HD12 ILE 24 1HD1 ILE 24 -7.747 3.532 2.710 207 HD13 ILE 24 2HD1 ILE 24 -6.422 3.881 1.599 208 H ALA 25 H ALA 25 -8.486 7.012 -1.153 209 HA ALA 25 HA ALA 25 -10.610 7.513 -2.892 210 HB1 ALA 25 1HB ALA 25 -9.230 8.969 -1.030 211 HB2 ALA 25 2HB ALA 25 -8.806 9.781 -2.537 212 HB3 ALA 25 3HB ALA 25 -10.500 9.594 -2.083 213 H GLU 26 H GLU 26 -7.122 7.683 -3.420 214 HA GLU 26 HA GLU 26 -7.270 8.837 -6.009 215 HB2 GLU 26 2HB GLU 26 -5.226 8.970 -4.705 216 HB3 GLU 26 3HB GLU 26 -5.087 7.217 -4.689 217 HG2 GLU 26 2HG GLU 26 -3.929 7.271 -6.566 218 HG3 GLU 26 3HG GLU 26 -5.265 8.071 -7.391 219 H LEU 27 H LEU 27 -7.128 5.516 -4.824 220 HA LEU 27 HA LEU 27 -6.827 4.276 -7.347 221 HB2 LEU 27 2HB LEU 27 -7.121 3.478 -4.627 222 HB3 LEU 27 3HB LEU 27 -8.263 2.561 -5.608 223 HG LEU 27 HG LEU 27 -5.275 2.683 -6.016 224 HD11 LEU 27 1HD1 LEU 27 -7.103 0.748 -4.671 225 HD12 LEU 27 2HD1 LEU 27 -5.507 1.318 -4.183 226 HD13 LEU 27 3HD1 LEU 27 -5.663 0.154 -5.498 227 HD21 LEU 27 3HD2 LEU 27 -6.601 2.441 -8.104 228 HD22 LEU 27 1HD2 LEU 27 -7.327 0.983 -7.426 229 HD23 LEU 27 2HD2 LEU 27 -5.592 1.041 -7.737 230 H LYS 28 H LYS 28 -9.693 4.855 -5.320 231 HA LYS 28 HA LYS 28 -11.553 3.737 -7.127 232 HB2 LYS 28 2HB LYS 28 -13.255 4.836 -5.780 233 HB3 LYS 28 3HB LYS 28 -12.038 4.109 -4.740 234 HG2 LYS 28 2HG LYS 28 -10.973 6.341 -4.520 235 HG3 LYS 28 3HG LYS 28 -12.320 7.024 -5.434 236 HD2 LYS 28 2HD LYS 28 -12.587 5.495 -2.846 237 HD3 LYS 28 3HD LYS 28 -12.592 7.255 -2.984 238 HE2 LYS 28 2HE LYS 28 -14.578 5.346 -4.213 239 HE3 LYS 28 3HE LYS 28 -14.864 6.418 -2.844 240 HZ1 LYS 28 3HZ LYS 28 -14.509 7.116 -5.688 241 HZ2 LYS 28 1HZ LYS 28 -14.229 8.263 -4.477 242 HZ3 LYS 28 2HZ LYS 28 -15.757 7.557 -4.634 243 H GLY 29 H GLY 29 -10.330 7.023 -6.678 244 HA2 GLY 29 2HA GLY 29 -12.105 8.270 -8.505 245 HA3 GLY 29 3HA GLY 29 -10.576 8.927 -7.942 246 H LYS 30 H LYS 30 -9.013 6.662 -8.901 247 HA LYS 30 HA LYS 30 -8.595 7.585 -11.580 248 HB2 LYS 30 2HB LYS 30 -7.288 5.582 -9.785 249 HB3 LYS 30 3HB LYS 30 -6.944 5.532 -11.509 250 HG2 LYS 30 2HG LYS 30 -6.741 8.202 -10.341 251 HG3 LYS 30 3HG LYS 30 -5.600 7.032 -9.675 252 HD2 LYS 30 2HD LYS 30 -4.849 6.483 -11.943 253 HD3 LYS 30 3HD LYS 30 -5.988 7.658 -12.603 254 HE2 LYS 30 2HE LYS 30 -3.845 8.697 -12.532 255 HE3 LYS 30 3HE LYS 30 -4.822 9.414 -11.252 256 HZ1 LYS 30 3HZ LYS 30 -2.926 8.995 -10.104 257 HZ2 LYS 30 1HZ LYS 30 -2.491 7.663 -11.051 258 HZ3 LYS 30 2HZ LYS 30 -3.688 7.503 -9.868 259 H LEU 31 H LEU 31 -9.994 4.721 -10.090 260 HA LEU 31 HA LEU 31 -10.243 3.213 -12.483 261 HB2 LEU 31 2HB LEU 31 -10.371 2.466 -10.003 262 HB3 LEU 31 3HB LEU 31 -12.074 2.898 -10.137 263 HG LEU 31 HG LEU 31 -10.993 1.066 -12.198 264 HD11 LEU 31 1HD1 LEU 31 -11.693 -0.008 -9.486 265 HD12 LEU 31 2HD1 LEU 31 -10.030 0.361 -9.943 266 HD13 LEU 31 3HD1 LEU 31 -10.947 -0.844 -10.848 267 HD21 LEU 31 3HD2 LEU 31 -13.547 1.299 -10.618 268 HD22 LEU 31 1HD2 LEU 31 -13.216 -0.003 -11.760 269 HD23 LEU 31 2HD2 LEU 31 -13.295 1.666 -12.326 270 H GLU 32 H GLU 32 -12.472 5.308 -10.687 271 HA GLU 32 HA GLU 32 -14.682 4.903 -12.418 272 HB2 GLU 32 2HB GLU 32 -15.621 6.919 -11.314 273 HB3 GLU 32 3HB GLU 32 -15.046 5.710 -10.175 274 HG2 GLU 32 2HG GLU 32 -14.170 7.561 -9.210 275 HG3 GLU 32 3HG GLU 32 -12.843 7.162 -10.299 276 H GLU 33 H GLU 33 -12.107 7.316 -12.287 277 HA GLU 33 HA GLU 33 -13.147 8.983 -14.330 278 HB2 GLU 33 2HB GLU 33 -11.373 9.569 -12.594 279 HB3 GLU 33 3HB GLU 33 -10.233 8.703 -13.614 280 HG2 GLU 33 2HG GLU 33 -9.890 10.689 -14.564 281 HG3 GLU 33 3HG GLU 33 -11.401 10.368 -15.413 282 H SER 34 H SER 34 -11.029 6.183 -14.325 283 HA SER 34 HA SER 34 -10.105 6.380 -16.977 284 HB2 SER 34 2HB SER 34 -9.353 4.131 -16.732 285 HB3 SER 34 3HB SER 34 -9.198 4.875 -15.141 286 HG SER 34 HG SER 34 -10.205 2.987 -14.749 287 H GLU 35 H GLU 35 -12.895 4.697 -15.575 288 HA GLU 35 HA GLU 35 -13.787 3.782 -18.170 289 HB2 GLU 35 2HB GLU 35 -14.785 3.484 -15.359 290 HB3 GLU 35 3HB GLU 35 -15.847 3.107 -16.709 291 HG2 GLU 35 2HG GLU 35 -13.128 1.906 -16.651 292 HG3 GLU 35 3HG GLU 35 -14.369 1.261 -15.579 293 H GLY 36 H GLY 36 -13.936 6.671 -16.560 294 HA2 GLY 36 2HA GLY 36 -14.990 8.604 -17.381 295 HA3 GLY 36 3HA GLY 36 -16.107 7.586 -18.278 296 H ILE 37 H ILE 37 -17.070 5.955 -16.258 297 HA ILE 37 HA ILE 37 -18.180 7.782 -14.254 298 HB ILE 37 HB ILE 37 -20.443 6.683 -14.641 299 HG12 ILE 37 2HG1 ILE 37 -19.450 6.193 -17.433 300 HG13 ILE 37 3HG1 ILE 37 -19.300 4.940 -16.205 301 HG21 ILE 37 1HG2 ILE 37 -19.274 8.543 -16.702 302 HG22 ILE 37 2HG2 ILE 37 -20.998 8.235 -16.504 303 HG23 ILE 37 3HG2 ILE 37 -20.081 8.987 -15.199 304 HD11 ILE 37 3HD1 ILE 37 -21.483 5.428 -17.835 305 HD12 ILE 37 1HD1 ILE 37 -21.430 4.375 -16.421 306 HD13 ILE 37 2HD1 ILE 37 -21.962 6.049 -16.255 307 HA PRO 38 HA PRO 38 -17.672 4.433 -11.461 308 HB2 PRO 38 2HB PRO 38 -19.718 4.869 -9.730 309 HB3 PRO 38 3HB PRO 38 -18.275 5.889 -9.789 310 HG2 PRO 38 2HG PRO 38 -20.976 6.357 -10.992 311 HG3 PRO 38 3HG PRO 38 -19.921 7.495 -10.134 312 HD2 PRO 38 2HD PRO 38 -20.104 7.432 -12.834 313 HD3 PRO 38 3HD PRO 38 -18.606 7.871 -11.989 314 H GLY 39 H GLY 39 -18.287 2.336 -11.216 315 HA2 GLY 39 2HA GLY 39 -20.049 1.119 -12.955 316 HA3 GLY 39 3HA GLY 39 -19.515 0.407 -11.440 317 H ASN 40 H ASN 40 -20.675 2.097 -9.597 318 HA ASN 40 HA ASN 40 -23.327 2.800 -9.974 319 HB2 ASN 40 2HB ASN 40 -22.966 -0.043 -9.928 320 HB3 ASN 40 3HB ASN 40 -23.858 0.442 -8.488 321 HD21 ASN 40 1HD2 ASN 40 -25.769 1.772 -8.813 322 HD22 ASN 40 2HD2 ASN 40 -26.709 1.549 -10.245 323 H MET 41 H MET 41 -21.935 0.667 -7.483 324 HA MET 41 HA MET 41 -22.438 2.788 -5.512 325 HB2 MET 41 2HB MET 41 -22.306 -0.203 -5.325 326 HB3 MET 41 3HB MET 41 -22.045 0.783 -3.893 327 HG2 MET 41 2HG MET 41 -24.288 1.907 -4.628 328 HG3 MET 41 3HG MET 41 -24.515 0.396 -5.506 329 HE1 MET 41 3HE MET 41 -25.677 2.116 -2.633 330 HE2 MET 41 1HE MET 41 -25.343 1.169 -1.182 331 HE3 MET 41 2HE MET 41 -24.042 2.062 -1.970 332 H ILE 42 H ILE 42 -19.992 0.514 -6.657 333 HA ILE 42 HA ILE 42 -17.742 0.376 -6.318 334 HB ILE 42 HB ILE 42 -17.834 3.357 -5.887 335 HG12 ILE 42 2HG1 ILE 42 -19.196 2.822 -7.849 336 HG13 ILE 42 3HG1 ILE 42 -17.690 3.591 -8.335 337 HG21 ILE 42 1HG2 ILE 42 -15.641 2.834 -5.628 338 HG22 ILE 42 2HG2 ILE 42 -15.764 1.361 -6.587 339 HG23 ILE 42 3HG2 ILE 42 -15.673 2.929 -7.388 340 HD11 ILE 42 3HD1 ILE 42 -17.213 1.884 -9.649 341 HD12 ILE 42 1HD1 ILE 42 -17.326 0.764 -8.292 342 HD13 ILE 42 2HD1 ILE 42 -18.766 1.160 -9.231 343 H ARG 43 H ARG 43 -18.849 -0.473 -4.112 344 HA ARG 43 HA ARG 43 -17.441 0.915 -1.926 345 HB2 ARG 43 2HB ARG 43 -20.154 0.425 -2.105 346 HB3 ARG 43 3HB ARG 43 -19.578 -0.902 -1.105 347 HG2 ARG 43 2HG ARG 43 -19.170 0.430 0.649 348 HG3 ARG 43 3HG ARG 43 -18.527 1.729 -0.358 349 HD2 ARG 43 2HD ARG 43 -21.450 1.153 -0.434 350 HD3 ARG 43 3HD ARG 43 -20.788 2.018 0.952 351 HE ARG 43 HE ARG 43 -19.986 3.110 -1.582 352 HH11 ARG 43 1HH1 ARG 43 -22.441 3.106 0.886 353 HH12 ARG 43 2HH1 ARG 43 -23.030 4.686 0.486 354 HH21 ARG 43 1HH2 ARG 43 -20.751 5.191 -2.118 355 HH22 ARG 43 2HH2 ARG 43 -22.068 5.870 -1.223 356 H LEU 44 H LEU 44 -15.699 -0.172 -1.316 357 HA LEU 44 HA LEU 44 -15.686 -3.100 -1.567 358 HB2 LEU 44 2HB LEU 44 -13.240 -2.917 -1.449 359 HB3 LEU 44 3HB LEU 44 -13.925 -2.016 -2.800 360 HG LEU 44 HG LEU 44 -13.367 -0.539 -0.280 361 HD11 LEU 44 1HD1 LEU 44 -11.026 -0.150 -1.175 362 HD12 LEU 44 2HD1 LEU 44 -11.273 -1.591 -2.161 363 HD13 LEU 44 3HD1 LEU 44 -11.328 -1.706 -0.402 364 HD21 LEU 44 3HD2 LEU 44 -13.779 1.179 -1.620 365 HD22 LEU 44 1HD2 LEU 44 -14.085 0.057 -2.947 366 HD23 LEU 44 2HD2 LEU 44 -12.460 0.692 -2.687 367 H VAL 45 H VAL 45 -14.700 -4.358 0.131 368 HA VAL 45 HA VAL 45 -14.932 -3.073 2.775 369 HB VAL 45 HB VAL 45 -15.413 -5.991 2.171 370 HG11 VAL 45 1HG1 VAL 45 -16.221 -6.159 4.394 371 HG12 VAL 45 2HG1 VAL 45 -14.676 -5.312 4.484 372 HG13 VAL 45 3HG1 VAL 45 -16.187 -4.410 4.612 373 HG21 VAL 45 3HG2 VAL 45 -17.825 -5.403 2.577 374 HG22 VAL 45 1HG2 VAL 45 -17.358 -3.708 2.436 375 HG23 VAL 45 2HG2 VAL 45 -17.149 -4.797 1.065 376 H TYR 46 H TYR 46 -13.066 -2.897 3.808 377 HA TYR 46 HA TYR 46 -10.859 -4.687 3.090 378 HB2 TYR 46 2HB TYR 46 -10.903 -1.970 3.347 379 HB3 TYR 46 3HB TYR 46 -10.312 -2.456 4.933 380 HD1 TYR 46 HD1 TYR 46 -8.708 -4.840 4.240 381 HD2 TYR 46 HD2 TYR 46 -9.028 -1.075 2.285 382 HE1 TYR 46 HE1 TYR 46 -6.450 -5.137 3.311 383 HE2 TYR 46 HE2 TYR 46 -6.771 -1.362 1.350 384 HH TYR 46 HH TYR 46 -4.963 -2.642 1.264 385 H GLN 47 H GLN 47 -10.541 -6.390 4.345 386 HA GLN 47 HA GLN 47 -10.477 -7.773 6.151 387 HB2 GLN 47 2HB GLN 47 -9.108 -5.496 6.829 388 HB3 GLN 47 3HB GLN 47 -10.257 -5.638 8.153 389 HG2 GLN 47 2HG GLN 47 -9.449 -8.106 8.236 390 HG3 GLN 47 3HG GLN 47 -8.057 -7.483 7.352 391 HE21 GLN 47 1HE2 GLN 47 -8.517 -8.532 10.155 392 HE22 GLN 47 2HE2 GLN 47 -7.787 -7.342 11.172 393 H GLY 48 H GLY 48 -13.057 -6.838 5.310 394 HA2 GLY 48 2HA GLY 48 -15.204 -7.300 6.063 395 HA3 GLY 48 3HA GLY 48 -14.551 -7.564 7.673 396 H LYS 49 H LYS 49 -13.377 -4.671 6.576 397 HA LYS 49 HA LYS 49 -15.458 -3.203 8.044 398 HB2 LYS 49 2HB LYS 49 -12.599 -3.123 8.098 399 HB3 LYS 49 3HB LYS 49 -13.194 -1.558 7.560 400 HG2 LYS 49 2HG LYS 49 -13.560 -1.034 9.677 401 HG3 LYS 49 3HG LYS 49 -14.811 -2.278 9.728 402 HD2 LYS 49 2HD LYS 49 -11.896 -2.872 10.191 403 HD3 LYS 49 3HD LYS 49 -13.003 -2.433 11.495 404 HE2 LYS 49 2HE LYS 49 -14.056 -4.530 9.771 405 HE3 LYS 49 3HE LYS 49 -12.533 -4.978 10.538 406 HZ1 LYS 49 3HZ LYS 49 -14.313 -3.715 12.373 407 HZ2 LYS 49 1HZ LYS 49 -13.539 -5.215 12.487 408 HZ3 LYS 49 2HZ LYS 49 -15.017 -5.086 11.676 409 H GLN 50 H GLN 50 -16.026 -1.049 7.278 410 HA GLN 50 HA GLN 50 -15.843 -0.841 4.345 411 HB2 GLN 50 2HB GLN 50 -18.091 0.259 6.026 412 HB3 GLN 50 3HB GLN 50 -18.043 0.064 4.279 413 HG2 GLN 50 2HG GLN 50 -17.704 -2.485 5.004 414 HG3 GLN 50 3HG GLN 50 -18.617 -1.908 6.397 415 HE21 GLN 50 1HE2 GLN 50 -20.483 -2.992 5.966 416 HE22 GLN 50 2HE2 GLN 50 -21.489 -2.661 4.602 417 H LEU 51 H LEU 51 -15.969 1.358 3.475 418 HA LEU 51 HA LEU 51 -15.244 3.508 3.326 419 HB2 LEU 51 2HB LEU 51 -15.550 3.731 6.303 420 HB3 LEU 51 3HB LEU 51 -15.704 4.997 5.086 421 HG LEU 51 HG LEU 51 -17.691 3.074 4.518 422 HD11 LEU 51 1HD1 LEU 51 -18.973 3.173 6.655 423 HD12 LEU 51 2HD1 LEU 51 -17.514 3.776 7.441 424 HD13 LEU 51 3HD1 LEU 51 -17.525 2.167 6.720 425 HD21 LEU 51 3HD2 LEU 51 -17.807 5.825 5.748 426 HD22 LEU 51 1HD2 LEU 51 -19.197 4.949 5.107 427 HD23 LEU 51 2HD2 LEU 51 -17.882 5.425 4.031 428 H GLU 52 H GLU 52 -13.151 3.483 2.769 429 HA GLU 52 HA GLU 52 -11.168 3.325 4.943 430 HB2 GLU 52 2HB GLU 52 -10.660 2.415 2.113 431 HB3 GLU 52 3HB GLU 52 -9.653 2.149 3.529 432 HG2 GLU 52 2HG GLU 52 -10.613 0.161 3.697 433 HG3 GLU 52 3HG GLU 52 -12.071 1.005 4.219 434 H ASP 53 H ASP 53 -12.575 5.292 2.729 435 HA ASP 53 HA ASP 53 -10.533 6.659 1.449 436 HB2 ASP 53 2HB ASP 53 -13.251 6.957 1.639 437 HB3 ASP 53 3HB ASP 53 -12.672 8.391 2.481 438 H GLU 54 H GLU 54 -11.786 7.066 4.728 439 HA GLU 54 HA GLU 54 -10.238 9.356 5.359 440 HB2 GLU 54 2HB GLU 54 -12.218 7.813 6.625 441 HB3 GLU 54 3HB GLU 54 -10.813 7.741 7.679 442 HG2 GLU 54 2HG GLU 54 -10.729 10.127 7.838 443 HG3 GLU 54 3HG GLU 54 -11.997 10.296 6.625 444 H LYS 55 H LYS 55 -9.511 6.005 5.170 445 HA LYS 55 HA LYS 55 -7.074 6.304 6.763 446 HB2 LYS 55 2HB LYS 55 -8.604 3.958 5.696 447 HB3 LYS 55 3HB LYS 55 -6.912 3.769 6.136 448 HG2 LYS 55 2HG LYS 55 -8.055 3.128 8.049 449 HG3 LYS 55 3HG LYS 55 -7.589 4.796 8.387 450 HD2 LYS 55 2HD LYS 55 -9.721 5.504 8.438 451 HD3 LYS 55 3HD LYS 55 -10.181 4.517 7.049 452 HE2 LYS 55 2HE LYS 55 -11.376 3.419 8.632 453 HE3 LYS 55 3HE LYS 55 -9.844 2.575 8.850 454 HZ1 LYS 55 3HZ LYS 55 -10.040 3.185 10.970 455 HZ2 LYS 55 1HZ LYS 55 -11.228 4.344 10.640 456 HZ3 LYS 55 2HZ LYS 55 -9.592 4.735 10.461 457 H ARG 56 H ARG 56 -7.173 7.743 4.348 458 HA ARG 56 HA ARG 56 -6.149 6.581 2.083 459 HB2 ARG 56 2HB ARG 56 -4.833 8.879 1.942 460 HB3 ARG 56 3HB ARG 56 -6.579 8.804 1.748 461 HG2 ARG 56 2HG ARG 56 -5.708 9.130 4.518 462 HG3 ARG 56 3HG ARG 56 -5.253 10.461 3.452 463 HD2 ARG 56 2HD ARG 56 -7.821 10.047 2.694 464 HD3 ARG 56 3HD ARG 56 -7.904 9.607 4.399 465 HE ARG 56 HE ARG 56 -6.594 11.965 4.450 466 HH11 ARG 56 1HH1 ARG 56 -9.563 10.932 2.955 467 HH12 ARG 56 2HH1 ARG 56 -10.311 12.491 3.062 468 HH21 ARG 56 1HH2 ARG 56 -7.568 14.022 4.597 469 HH22 ARG 56 2HH2 ARG 56 -9.175 14.248 3.995 470 H LEU 57 H LEU 57 -3.947 8.471 4.114 471 HA LEU 57 HA LEU 57 -1.654 7.082 3.265 472 HB2 LEU 57 2HB LEU 57 -1.897 9.410 4.355 473 HB3 LEU 57 3HB LEU 57 -1.814 8.533 5.882 474 HG LEU 57 HG LEU 57 0.333 8.298 3.791 475 HD11 LEU 57 1HD1 LEU 57 1.576 9.960 5.216 476 HD12 LEU 57 2HD1 LEU 57 0.028 10.360 5.959 477 HD13 LEU 57 3HD1 LEU 57 0.271 10.622 4.232 478 HD21 LEU 57 3HD2 LEU 57 0.854 6.665 5.255 479 HD22 LEU 57 1HD2 LEU 57 -0.104 7.376 6.554 480 HD23 LEU 57 2HD2 LEU 57 1.506 8.004 6.202 481 H LYS 58 H LYS 58 -3.792 6.647 6.015 482 HA LYS 58 HA LYS 58 -2.231 4.919 7.553 483 HB2 LYS 58 2HB LYS 58 -4.941 5.823 7.515 484 HB3 LYS 58 3HB LYS 58 -4.941 4.078 7.731 485 HG2 LYS 58 2HG LYS 58 -2.949 5.233 9.420 486 HG3 LYS 58 3HG LYS 58 -4.485 6.069 9.662 487 HD2 LYS 58 2HD LYS 58 -5.595 4.064 10.237 488 HD3 LYS 58 3HD LYS 58 -4.265 3.068 9.642 489 HE2 LYS 58 2HE LYS 58 -2.830 3.952 11.432 490 HE3 LYS 58 3HE LYS 58 -4.185 4.905 12.035 491 HZ1 LYS 58 3HZ LYS 58 -3.681 2.638 13.105 492 HZ2 LYS 58 1HZ LYS 58 -4.437 1.984 11.740 493 HZ3 LYS 58 2HZ LYS 58 -5.290 3.029 12.760 494 H ASP 59 H ASP 59 -3.954 4.384 4.598 495 HA ASP 59 HA ASP 59 -3.917 1.503 4.821 496 HB2 ASP 59 2HB ASP 59 -4.949 3.493 2.881 497 HB3 ASP 59 3HB ASP 59 -4.492 1.925 2.220 498 H TYR 60 H TYR 60 -1.743 3.923 3.870 499 HA TYR 60 HA TYR 60 -0.308 2.435 1.890 500 HB2 TYR 60 2HB TYR 60 -0.279 4.915 2.008 501 HB3 TYR 60 3HB TYR 60 0.611 4.811 3.523 502 HD1 TYR 60 HD1 TYR 60 0.921 3.187 0.163 503 HD2 TYR 60 HD2 TYR 60 2.827 5.374 3.276 504 HE1 TYR 60 HE1 TYR 60 3.036 3.119 -1.091 505 HE2 TYR 60 HE2 TYR 60 4.946 5.313 2.029 506 HH TYR 60 HH TYR 60 5.337 4.916 -0.917 507 H GLN 61 H GLN 61 -0.374 2.474 5.315 508 HA GLN 61 HA GLN 61 2.289 1.451 5.696 509 HB2 GLN 61 2HB GLN 61 0.172 2.451 7.354 510 HB3 GLN 61 3HB GLN 61 0.696 0.888 7.965 511 HG2 GLN 61 2HG GLN 61 3.010 1.702 8.021 512 HG3 GLN 61 3HG GLN 61 2.454 3.277 7.457 513 HE21 GLN 61 1HE2 GLN 61 2.031 4.733 8.952 514 HE22 GLN 61 2HE2 GLN 61 1.703 4.415 10.618 515 H MET 62 H MET 62 -0.498 0.118 4.510 516 HA MET 62 HA MET 62 -0.189 -2.501 5.719 517 HB2 MET 62 2HB MET 62 -1.981 -1.841 3.394 518 HB3 MET 62 3HB MET 62 -2.170 -3.112 4.595 519 HG2 MET 62 2HG MET 62 -2.461 -0.157 5.082 520 HG3 MET 62 3HG MET 62 -3.773 -1.326 4.943 521 HE1 MET 62 3HE MET 62 -1.397 0.494 6.724 522 HE2 MET 62 1HE MET 62 -2.296 0.505 8.242 523 HE3 MET 62 2HE MET 62 -0.811 -0.435 8.105 524 H SER 63 H SER 63 -0.414 -1.474 2.311 525 HA SER 63 HA SER 63 0.571 -2.282 0.422 526 HB2 SER 63 2HB SER 63 2.969 -2.816 2.182 527 HB3 SER 63 3HB SER 63 2.958 -2.460 0.455 528 HG SER 63 HG SER 63 3.505 -0.653 1.842 529 H ALA 64 H ALA 64 -0.857 -4.166 2.187 530 HA ALA 64 HA ALA 64 -0.346 -6.545 0.784 531 HB1 ALA 64 1HB ALA 64 1.607 -6.946 1.975 532 HB2 ALA 64 2HB ALA 64 0.936 -6.318 3.481 533 HB3 ALA 64 3HB ALA 64 0.400 -7.880 2.860 534 H GLY 65 H GLY 65 -2.645 -5.201 1.207 535 HA2 GLY 65 2HA GLY 65 -4.105 -6.973 3.067 536 HA3 GLY 65 3HA GLY 65 -4.477 -5.260 2.936 537 H ALA 66 H ALA 66 -5.581 -8.184 2.102 538 HA ALA 66 HA ALA 66 -6.223 -7.984 -0.625 539 HB1 ALA 66 1HB ALA 66 -7.212 -9.583 1.669 540 HB2 ALA 66 2HB ALA 66 -8.225 -9.506 0.227 541 HB3 ALA 66 3HB ALA 66 -6.571 -10.108 0.112 542 H THR 67 H THR 67 -7.819 -6.984 -1.719 543 HA THR 67 HA THR 67 -9.826 -5.496 -0.155 544 HB THR 67 HB THR 67 -9.442 -4.217 -2.669 545 HG1 THR 67 HG1 THR 67 -7.030 -4.399 -1.167 546 HG21 THR 67 3HG2 THR 67 -8.455 -3.153 -0.046 547 HG22 THR 67 1HG2 THR 67 -10.180 -3.362 -0.339 548 HG23 THR 67 2HG2 THR 67 -9.234 -2.292 -1.373 549 H PHE 68 H PHE 68 -11.910 -5.522 -0.879 550 HA PHE 68 HA PHE 68 -12.458 -6.979 -3.375 551 HB2 PHE 68 2HB PHE 68 -12.927 -8.590 -1.706 552 HB3 PHE 68 3HB PHE 68 -13.696 -7.401 -0.661 553 HD1 PHE 68 HD2 PHE 68 -14.088 -8.881 -4.062 554 HD2 PHE 68 HD1 PHE 68 -15.988 -7.358 -0.571 555 HE1 PHE 68 HE2 PHE 68 -16.281 -9.488 -4.996 556 HE2 PHE 68 HE1 PHE 68 -18.185 -7.963 -1.500 557 HZ PHE 68 HZ PHE 68 -18.334 -9.028 -3.715 558 H HIS 69 H HIS 69 -13.418 -5.615 -4.721 559 HA HIS 69 HA HIS 69 -15.021 -3.414 -3.678 560 HB2 HIS 69 2HB HIS 69 -14.036 -4.053 -6.464 561 HB3 HIS 69 3HB HIS 69 -15.033 -2.656 -6.070 562 HD1 HIS 69 HD1 HIS 69 -13.508 -0.711 -6.250 563 HD2 HIS 69 HD2 HIS 69 -11.752 -3.879 -4.215 564 HE1 HIS 69 HE1 HIS 69 -11.288 0.154 -5.446 565 H MET 70 H MET 70 -17.178 -3.085 -4.153 566 HA MET 70 HA MET 70 -18.573 -5.295 -5.508 567 HB2 MET 70 2HB MET 70 -18.878 -5.562 -3.107 568 HB3 MET 70 3HB MET 70 -19.420 -3.895 -2.966 569 HG2 MET 70 2HG MET 70 -21.503 -4.481 -3.405 570 HG3 MET 70 3HG MET 70 -21.014 -5.259 -4.908 571 HE1 MET 70 3HE MET 70 -23.126 -8.137 -3.557 572 HE2 MET 70 1HE MET 70 -23.542 -6.464 -3.184 573 HE3 MET 70 2HE MET 70 -22.902 -6.879 -4.774 574 H VAL 71 H VAL 71 -19.933 -4.678 -7.065 575 HA VAL 71 HA VAL 71 -20.821 -1.867 -7.109 576 HB VAL 71 HB VAL 71 -20.075 -3.551 -9.505 577 HG11 VAL 71 1HG1 VAL 71 -20.441 -1.518 -10.800 578 HG12 VAL 71 2HG1 VAL 71 -21.914 -1.996 -9.953 579 HG13 VAL 71 3HG1 VAL 71 -20.934 -0.664 -9.338 580 HG21 VAL 71 3HG2 VAL 71 -18.399 -1.487 -9.639 581 HG22 VAL 71 1HG2 VAL 71 -18.602 -1.549 -7.889 582 HG23 VAL 71 2HG2 VAL 71 -18.007 -2.963 -8.758 583 H VAL 72 H VAL 72 -22.933 -1.853 -6.706 584 HA VAL 72 HA VAL 72 -24.610 -4.081 -7.560 585 HB VAL 72 HB VAL 72 -25.711 -1.696 -6.139 586 HG11 VAL 72 1HG1 VAL 72 -26.729 -4.129 -6.918 587 HG12 VAL 72 2HG1 VAL 72 -26.380 -4.372 -5.205 588 HG13 VAL 72 3HG1 VAL 72 -27.434 -3.052 -5.713 589 HG21 VAL 72 3HG2 VAL 72 -24.006 -3.830 -4.860 590 HG22 VAL 72 1HG2 VAL 72 -23.678 -2.098 -4.915 591 HG23 VAL 72 2HG2 VAL 72 -25.038 -2.708 -3.973 592 H ALA 73 H ALA 73 -25.169 -3.953 -9.652 593 HA ALA 73 HA ALA 73 -26.248 -1.389 -10.630 594 HB1 ALA 73 1HB ALA 73 -25.399 -1.794 -12.755 595 HB2 ALA 73 2HB ALA 73 -24.109 -2.358 -11.693 596 HB3 ALA 73 3HB ALA 73 -25.197 -3.520 -12.453 597 H LEU 74 H LEU 74 -28.375 -1.795 -10.012 598 HA LEU 74 HA LEU 74 -29.678 -4.116 -11.263 599 HB2 LEU 74 2HB LEU 74 -30.076 -2.648 -8.752 600 HB3 LEU 74 3HB LEU 74 -31.560 -3.053 -9.612 601 HG LEU 74 HG LEU 74 -31.052 -4.732 -7.936 602 HD11 LEU 74 1HD1 LEU 74 -31.982 -6.189 -9.320 603 HD12 LEU 74 2HD1 LEU 74 -30.413 -6.495 -10.063 604 HD13 LEU 74 3HD1 LEU 74 -31.458 -5.225 -10.701 605 HD21 LEU 74 3HD2 LEU 74 -28.451 -4.252 -8.419 606 HD22 LEU 74 1HD2 LEU 74 -28.665 -5.734 -9.350 607 HD23 LEU 74 2HD2 LEU 74 -29.043 -5.713 -7.627 608 H ARG 75 H ARG 75 -30.814 -0.886 -10.283 609 HA ARG 75 HA ARG 75 -32.157 0.626 -11.330 610 HB2 ARG 75 2HB ARG 75 -30.433 -0.357 -13.593 611 HB3 ARG 75 3HB ARG 75 -31.653 0.884 -13.843 612 HG2 ARG 75 2HG ARG 75 -29.893 2.234 -13.421 613 HG3 ARG 75 3HG ARG 75 -30.405 1.963 -11.754 614 HD2 ARG 75 2HD ARG 75 -28.192 1.468 -11.539 615 HD3 ARG 75 3HD ARG 75 -28.793 -0.126 -11.994 616 HE ARG 75 HE ARG 75 -27.589 0.032 -13.924 617 HH11 ARG 75 1HH1 ARG 75 -28.027 3.230 -12.620 618 HH12 ARG 75 2HH1 ARG 75 -27.005 3.991 -13.794 619 HH21 ARG 75 1HH2 ARG 75 -26.241 1.022 -15.476 620 HH22 ARG 75 2HH2 ARG 75 -25.991 2.734 -15.419 621 H ALA 76 H ALA 76 -33.562 0.816 -13.563 622 HA ALA 76 HA ALA 76 -34.814 -1.649 -14.339 623 HB1 ALA 76 1HB ALA 76 -36.571 -1.716 -12.980 624 HB2 ALA 76 2HB ALA 76 -35.779 -0.476 -12.008 625 HB3 ALA 76 3HB ALA 76 -36.931 -0.012 -13.259 626 H GLY 77 H GLY 77 -35.936 -1.449 -16.232 627 HA2 GLY 77 2HA GLY 77 -37.176 0.841 -17.223 628 HA3 GLY 77 3HA GLY 77 -35.512 0.877 -17.788 629 H CYS 78 H CYS 78 -38.364 -1.240 -17.657 630 HA CYS 78 HA CYS 78 -39.128 -2.846 -19.079 631 HB2 CYS 78 2HB CYS 78 -38.486 -0.517 -20.612 632 HB3 CYS 78 3HB CYS 78 -38.123 -1.942 -21.577 633 HG CYS 78 HG CYS 78 -41.097 -2.054 -20.039 Start of MODEL 9 1 H MET 1 H MET 1 1.795 -0.019 0.952 2 HA MET 1 HA MET 1 2.121 1.060 -1.525 3 HB2 MET 1 2HB MET 1 3.845 -0.021 0.092 4 HB3 MET 1 3HB MET 1 3.556 -1.485 -0.838 5 HG2 MET 1 2HG MET 1 4.339 -0.466 -2.838 6 HG3 MET 1 3HG MET 1 4.396 1.121 -2.073 7 HE1 MET 1 3HE MET 1 7.194 -1.136 -3.415 8 HE2 MET 1 1HE MET 1 6.471 0.449 -3.696 9 HE3 MET 1 2HE MET 1 8.035 0.323 -2.889 10 H LEU 2 H LEU 2 1.867 -2.471 -1.076 11 HA LEU 2 HA LEU 2 0.677 -2.634 -3.760 12 HB2 LEU 2 2HB LEU 2 2.642 -3.916 -3.706 13 HB3 LEU 2 3HB LEU 2 2.268 -4.572 -2.114 14 HG LEU 2 HG LEU 2 0.429 -5.250 -4.345 15 HD11 LEU 2 1HD1 LEU 2 2.404 -7.243 -4.325 16 HD12 LEU 2 2HD1 LEU 2 3.252 -5.707 -4.499 17 HD13 LEU 2 3HD1 LEU 2 1.984 -6.148 -5.642 18 HD21 LEU 2 3HD2 LEU 2 -0.296 -6.345 -2.506 19 HD22 LEU 2 1HD2 LEU 2 1.292 -6.335 -1.739 20 HD23 LEU 2 2HD2 LEU 2 0.927 -7.519 -2.995 21 H LEU 3 H LEU 3 -1.390 -3.181 -3.958 22 HA LEU 3 HA LEU 3 -2.667 -4.775 -1.858 23 HB2 LEU 3 2HB LEU 3 -4.455 -3.320 -1.548 24 HB3 LEU 3 3HB LEU 3 -3.042 -2.268 -1.560 25 HG LEU 3 HG LEU 3 -4.877 -2.681 -3.918 26 HD11 LEU 3 1HD1 LEU 3 -5.323 -1.204 -1.546 27 HD12 LEU 3 2HD1 LEU 3 -6.292 -1.235 -3.019 28 HD13 LEU 3 3HD1 LEU 3 -4.996 -0.053 -2.842 29 HD21 LEU 3 3HD2 LEU 3 -2.556 -0.847 -3.373 30 HD22 LEU 3 1HD2 LEU 3 -3.740 -0.539 -4.644 31 HD23 LEU 3 2HD2 LEU 3 -2.754 -2.001 -4.693 32 H LYS 4 H LYS 4 -4.441 -6.002 -2.541 33 HA LYS 4 HA LYS 4 -4.697 -6.227 -5.466 34 HB2 LYS 4 2HB LYS 4 -3.801 -8.250 -4.574 35 HB3 LYS 4 3HB LYS 4 -4.986 -8.281 -3.276 36 HG2 LYS 4 2HG LYS 4 -6.762 -8.680 -4.911 37 HG3 LYS 4 3HG LYS 4 -5.563 -8.667 -6.207 38 HD2 LYS 4 2HD LYS 4 -5.327 -10.543 -3.876 39 HD3 LYS 4 3HD LYS 4 -6.324 -10.940 -5.278 40 HE2 LYS 4 2HE LYS 4 -4.203 -10.359 -6.643 41 HE3 LYS 4 3HE LYS 4 -3.357 -10.560 -5.110 42 HZ1 LYS 4 3HZ LYS 4 -3.345 -12.725 -5.502 43 HZ2 LYS 4 1HZ LYS 4 -4.299 -12.544 -6.887 44 HZ3 LYS 4 2HZ LYS 4 -5.032 -12.747 -5.376 45 H VAL 5 H VAL 5 -6.492 -5.294 -6.188 46 HA VAL 5 HA VAL 5 -8.895 -5.317 -4.500 47 HB VAL 5 HB VAL 5 -9.756 -3.556 -5.990 48 HG11 VAL 5 1HG1 VAL 5 -7.051 -3.089 -4.753 49 HG12 VAL 5 2HG1 VAL 5 -8.082 -1.791 -5.358 50 HG13 VAL 5 3HG1 VAL 5 -8.634 -2.812 -4.029 51 HG21 VAL 5 3HG2 VAL 5 -8.919 -3.445 -8.054 52 HG22 VAL 5 1HG2 VAL 5 -7.517 -2.643 -7.346 53 HG23 VAL 5 2HG2 VAL 5 -7.498 -4.387 -7.605 54 H LYS 6 H LYS 6 -10.585 -6.546 -5.009 55 HA LYS 6 HA LYS 6 -10.801 -7.580 -7.757 56 HB2 LYS 6 2HB LYS 6 -11.690 -9.701 -6.761 57 HB3 LYS 6 3HB LYS 6 -9.987 -9.405 -6.439 58 HG2 LYS 6 2HG LYS 6 -11.287 -8.240 -4.291 59 HG3 LYS 6 3HG LYS 6 -12.193 -9.724 -4.597 60 HD2 LYS 6 2HD LYS 6 -9.192 -9.614 -4.340 61 HD3 LYS 6 3HD LYS 6 -10.280 -9.969 -2.996 62 HE2 LYS 6 2HE LYS 6 -10.808 -11.576 -5.375 63 HE3 LYS 6 3HE LYS 6 -9.189 -11.813 -4.718 64 HZ1 LYS 6 3HZ LYS 6 -10.602 -11.926 -2.490 65 HZ2 LYS 6 1HZ LYS 6 -10.292 -13.291 -3.441 66 HZ3 LYS 6 2HZ LYS 6 -11.777 -12.491 -3.568 67 H THR 7 H THR 7 -12.667 -7.088 -8.687 68 HA THR 7 HA THR 7 -14.830 -5.993 -7.096 69 HB THR 7 HB THR 7 -15.360 -6.352 -9.953 70 HG1 THR 7 HG1 THR 7 -13.076 -4.890 -9.081 71 HG21 THR 7 3HG2 THR 7 -15.608 -3.790 -9.661 72 HG22 THR 7 1HG2 THR 7 -15.433 -4.131 -7.940 73 HG23 THR 7 2HG2 THR 7 -16.760 -4.851 -8.852 74 H VAL 8 H VAL 8 -17.113 -6.645 -7.712 75 HA VAL 8 HA VAL 8 -17.492 -9.378 -7.109 76 HB VAL 8 HB VAL 8 -19.113 -7.568 -6.547 77 HG11 VAL 8 1HG1 VAL 8 -20.126 -7.787 -9.361 78 HG12 VAL 8 2HG1 VAL 8 -20.510 -6.580 -8.132 79 HG13 VAL 8 3HG1 VAL 8 -18.927 -6.575 -8.911 80 HG21 VAL 8 3HG2 VAL 8 -19.668 -10.028 -6.604 81 HG22 VAL 8 1HG2 VAL 8 -21.042 -8.933 -6.754 82 HG23 VAL 8 2HG2 VAL 8 -20.401 -9.745 -8.182 83 H SER 9 H SER 9 -16.798 -7.830 -10.025 84 HA SER 9 HA SER 9 -18.160 -9.771 -11.705 85 HB2 SER 9 2HB SER 9 -16.749 -7.204 -12.125 86 HB3 SER 9 3HB SER 9 -16.602 -8.379 -13.432 87 HG SER 9 HG SER 9 -18.912 -7.147 -12.398 88 H ASN 10 H ASN 10 -15.718 -10.205 -9.805 89 HA ASN 10 HA ASN 10 -13.992 -11.688 -9.729 90 HB2 ASN 10 2HB ASN 10 -15.694 -12.744 -11.638 91 HB3 ASN 10 3HB ASN 10 -14.144 -12.682 -12.472 92 HD21 ASN 10 1HD2 ASN 10 -12.317 -13.271 -10.675 93 HD22 ASN 10 2HD2 ASN 10 -12.587 -14.824 -9.968 94 H LYS 11 H LYS 11 -13.595 -8.988 -10.590 95 HA LYS 11 HA LYS 11 -11.372 -9.270 -12.496 96 HB2 LYS 11 2HB LYS 11 -13.057 -6.897 -11.704 97 HB3 LYS 11 3HB LYS 11 -11.561 -6.730 -12.614 98 HG2 LYS 11 2HG LYS 11 -12.551 -8.282 -14.325 99 HG3 LYS 11 3HG LYS 11 -14.082 -8.133 -13.458 100 HD2 LYS 11 2HD LYS 11 -13.861 -5.636 -13.738 101 HD3 LYS 11 3HD LYS 11 -12.512 -5.957 -14.830 102 HE2 LYS 11 2HE LYS 11 -13.903 -6.402 -16.506 103 HE3 LYS 11 3HE LYS 11 -14.774 -7.586 -15.532 104 HZ1 LYS 11 3HZ LYS 11 -15.259 -4.655 -15.553 105 HZ2 LYS 11 1HZ LYS 11 -16.079 -5.775 -14.585 106 HZ3 LYS 11 2HZ LYS 11 -16.244 -5.830 -16.268 107 H VAL 12 H VAL 12 -9.806 -9.985 -11.041 108 HA VAL 12 HA VAL 12 -9.183 -8.304 -8.737 109 HB VAL 12 HB VAL 12 -7.797 -10.842 -9.604 110 HG11 VAL 12 1HG1 VAL 12 -6.457 -9.559 -8.092 111 HG12 VAL 12 2HG1 VAL 12 -7.831 -9.296 -7.017 112 HG13 VAL 12 3HG1 VAL 12 -7.148 -10.913 -7.198 113 HG21 VAL 12 3HG2 VAL 12 -9.629 -11.951 -9.002 114 HG22 VAL 12 1HG2 VAL 12 -9.383 -11.356 -7.360 115 HG23 VAL 12 2HG2 VAL 12 -10.419 -10.465 -8.475 116 H ILE 13 H ILE 13 -7.483 -6.958 -8.623 117 HA ILE 13 HA ILE 13 -5.460 -7.065 -10.753 118 HB ILE 13 HB ILE 13 -6.745 -4.523 -9.748 119 HG12 ILE 13 2HG1 ILE 13 -8.259 -5.783 -11.203 120 HG13 ILE 13 3HG1 ILE 13 -7.676 -4.336 -12.018 121 HG21 ILE 13 1HG2 ILE 13 -4.539 -5.068 -11.713 122 HG22 ILE 13 2HG2 ILE 13 -5.445 -3.556 -11.707 123 HG23 ILE 13 3HG2 ILE 13 -4.509 -4.028 -10.289 124 HD11 ILE 13 3HD1 ILE 13 -5.909 -6.472 -12.622 125 HD12 ILE 13 1HD1 ILE 13 -7.564 -7.017 -12.892 126 HD13 ILE 13 2HD1 ILE 13 -6.967 -5.569 -13.705 127 H GLN 14 H GLN 14 -3.540 -7.350 -9.851 128 HA GLN 14 HA GLN 14 -3.076 -6.347 -7.133 129 HB2 GLN 14 2HB GLN 14 -1.103 -7.892 -7.172 130 HB3 GLN 14 3HB GLN 14 -2.661 -8.695 -7.315 131 HG2 GLN 14 2HG GLN 14 -1.614 -8.042 -9.913 132 HG3 GLN 14 3HG GLN 14 -0.444 -8.975 -8.980 133 HE21 GLN 14 1HE2 GLN 14 -0.671 -11.099 -8.942 134 HE22 GLN 14 2HE2 GLN 14 -2.082 -11.973 -9.422 135 H ILE 15 H ILE 15 -2.107 -4.438 -7.022 136 HA ILE 15 HA ILE 15 -0.005 -3.818 -8.994 137 HB ILE 15 HB ILE 15 -0.543 -1.432 -8.685 138 HG12 ILE 15 2HG1 ILE 15 -1.686 -2.013 -6.384 139 HG13 ILE 15 3HG1 ILE 15 -2.249 -0.646 -7.340 140 HG21 ILE 15 1HG2 ILE 15 -2.735 -3.254 -9.640 141 HG22 ILE 15 2HG2 ILE 15 -2.781 -1.505 -9.858 142 HG23 ILE 15 3HG2 ILE 15 -1.489 -2.452 -10.595 143 HD11 ILE 15 3HD1 ILE 15 -3.529 -3.283 -7.790 144 HD12 ILE 15 1HD1 ILE 15 -3.912 -2.407 -6.309 145 HD13 ILE 15 2HD1 ILE 15 -4.211 -1.659 -7.878 146 H THR 16 H THR 16 1.795 -2.600 -8.255 147 HA THR 16 HA THR 16 2.150 -2.579 -5.331 148 HB THR 16 HB THR 16 3.420 -4.455 -6.167 149 HG1 THR 16 HG1 THR 16 5.295 -3.891 -5.201 150 HG21 THR 16 3HG2 THR 16 4.036 -2.602 -8.335 151 HG22 THR 16 1HG2 THR 16 4.058 -4.364 -8.315 152 HG23 THR 16 2HG2 THR 16 5.454 -3.459 -7.731 153 H SER 17 H SER 17 1.290 -0.311 -6.272 154 HA SER 17 HA SER 17 3.414 1.516 -5.831 155 HB2 SER 17 2HB SER 17 4.089 1.178 -8.078 156 HB3 SER 17 3HB SER 17 2.425 1.170 -8.660 157 HG SER 17 HG SER 17 4.077 3.231 -8.466 158 H LEU 18 H LEU 18 1.616 1.802 -4.251 159 HA LEU 18 HA LEU 18 -0.563 3.458 -5.326 160 HB2 LEU 18 2HB LEU 18 -0.402 1.452 -3.252 161 HB3 LEU 18 3HB LEU 18 -1.069 2.960 -2.631 162 HG LEU 18 HG LEU 18 -2.752 1.271 -3.417 163 HD11 LEU 18 1HD1 LEU 18 -2.579 4.093 -4.303 164 HD12 LEU 18 2HD1 LEU 18 -3.744 3.305 -3.239 165 HD13 LEU 18 3HD1 LEU 18 -3.868 3.102 -4.987 166 HD21 LEU 18 3HD2 LEU 18 -1.739 2.058 -6.147 167 HD22 LEU 18 1HD2 LEU 18 -3.109 1.006 -5.792 168 HD23 LEU 18 2HD2 LEU 18 -1.473 0.493 -5.379 169 H THR 19 H THR 19 -1.138 5.406 -4.240 170 HA THR 19 HA THR 19 1.156 6.877 -3.305 171 HB THR 19 HB THR 19 -1.492 8.157 -3.086 172 HG1 THR 19 HG1 THR 19 -1.309 8.358 -5.550 173 HG21 THR 19 3HG2 THR 19 1.162 8.946 -3.339 174 HG22 THR 19 1HG2 THR 19 -0.258 9.988 -3.427 175 HG23 THR 19 2HG2 THR 19 0.441 9.324 -4.903 176 H ASP 20 H ASP 20 0.586 8.513 -1.415 177 HA ASP 20 HA ASP 20 -0.515 6.932 0.815 178 HB2 ASP 20 2HB ASP 20 1.236 7.523 2.214 179 HB3 ASP 20 3HB ASP 20 2.067 7.335 0.673 180 H ASP 21 H ASP 21 -1.289 9.357 -1.065 181 HA ASP 21 HA ASP 21 -2.029 11.274 1.015 182 HB2 ASP 21 2HB ASP 21 -1.409 11.455 -1.790 183 HB3 ASP 21 3HB ASP 21 -3.003 12.140 -1.486 184 H ASN 22 H ASN 22 -3.546 9.388 -1.592 185 HA ASN 22 HA ASN 22 -6.111 9.653 -0.163 186 HB2 ASN 22 2HB ASN 22 -5.449 9.648 -3.082 187 HB3 ASN 22 3HB ASN 22 -7.010 9.020 -2.560 188 HD21 ASN 22 1HD2 ASN 22 -7.068 11.115 -4.176 189 HD22 ASN 22 2HD2 ASN 22 -7.491 12.559 -3.328 190 H THR 23 H THR 23 -4.085 7.493 -2.103 191 HA THR 23 HA THR 23 -3.909 5.225 -2.187 192 HB THR 23 HB THR 23 -5.218 5.427 0.530 193 HG1 THR 23 HG1 THR 23 -3.107 6.357 0.319 194 HG21 THR 23 3HG2 THR 23 -5.636 3.215 -0.085 195 HG22 THR 23 1HG2 THR 23 -4.104 3.110 0.781 196 HG23 THR 23 2HG2 THR 23 -4.125 3.077 -0.982 197 H ILE 24 H ILE 24 -6.893 5.197 -0.298 198 HA ILE 24 HA ILE 24 -8.167 3.415 -2.111 199 HB ILE 24 HB ILE 24 -9.368 5.030 0.142 200 HG12 ILE 24 2HG1 ILE 24 -9.279 2.470 1.025 201 HG13 ILE 24 3HG1 ILE 24 -7.839 2.500 0.014 202 HG21 ILE 24 1HG2 ILE 24 -10.469 2.985 -1.707 203 HG22 ILE 24 2HG2 ILE 24 -10.983 2.938 -0.022 204 HG23 ILE 24 3HG2 ILE 24 -11.246 4.393 -0.983 205 HD11 ILE 24 3HD1 ILE 24 -6.706 3.616 1.551 206 HD12 ILE 24 1HD1 ILE 24 -7.970 4.838 1.687 207 HD13 ILE 24 2HD1 ILE 24 -8.067 3.358 2.642 208 H ALA 25 H ALA 25 -8.719 6.839 -1.311 209 HA ALA 25 HA ALA 25 -10.831 7.305 -3.073 210 HB1 ALA 25 1HB ALA 25 -9.475 8.805 -1.247 211 HB2 ALA 25 2HB ALA 25 -8.981 9.554 -2.766 212 HB3 ALA 25 3HB ALA 25 -10.693 9.426 -2.361 213 H GLU 26 H GLU 26 -7.341 7.412 -3.597 214 HA GLU 26 HA GLU 26 -7.468 8.487 -6.222 215 HB2 GLU 26 2HB GLU 26 -5.451 8.456 -4.679 216 HB3 GLU 26 3HB GLU 26 -5.255 6.763 -5.114 217 HG2 GLU 26 2HG GLU 26 -5.358 7.770 -7.562 218 HG3 GLU 26 3HG GLU 26 -4.778 9.205 -6.719 219 H LEU 27 H LEU 27 -7.364 5.204 -4.930 220 HA LEU 27 HA LEU 27 -7.077 3.882 -7.413 221 HB2 LEU 27 2HB LEU 27 -7.368 3.173 -4.671 222 HB3 LEU 27 3HB LEU 27 -8.530 2.242 -5.614 223 HG LEU 27 HG LEU 27 -5.533 2.281 -5.948 224 HD11 LEU 27 1HD1 LEU 27 -6.234 0.945 -4.079 225 HD12 LEU 27 2HD1 LEU 27 -5.770 -0.124 -5.402 226 HD13 LEU 27 3HD1 LEU 27 -7.476 0.158 -5.053 227 HD21 LEU 27 3HD2 LEU 27 -7.703 1.065 -7.635 228 HD22 LEU 27 1HD2 LEU 27 -6.051 0.447 -7.631 229 HD23 LEU 27 2HD2 LEU 27 -6.370 2.106 -8.139 230 H LYS 28 H LYS 28 -9.935 4.554 -5.405 231 HA LYS 28 HA LYS 28 -11.808 3.396 -7.170 232 HB2 LYS 28 2HB LYS 28 -13.497 4.560 -5.862 233 HB3 LYS 28 3HB LYS 28 -12.286 3.859 -4.797 234 HG2 LYS 28 2HG LYS 28 -11.201 6.085 -4.654 235 HG3 LYS 28 3HG LYS 28 -12.534 6.749 -5.600 236 HD2 LYS 28 2HD LYS 28 -12.831 5.325 -2.956 237 HD3 LYS 28 3HD LYS 28 -12.819 7.078 -3.165 238 HE2 LYS 28 2HE LYS 28 -14.703 6.127 -4.994 239 HE3 LYS 28 3HE LYS 28 -14.976 5.195 -3.523 240 HZ1 LYS 28 3HZ LYS 28 -14.719 7.643 -2.517 241 HZ2 LYS 28 1HZ LYS 28 -16.205 6.980 -2.980 242 HZ3 LYS 28 2HZ LYS 28 -15.383 8.025 -4.026 243 H GLY 29 H GLY 29 -10.544 6.680 -6.843 244 HA2 GLY 29 2HA GLY 29 -12.309 7.883 -8.709 245 HA3 GLY 29 3HA GLY 29 -10.770 8.541 -8.174 246 H LYS 30 H LYS 30 -9.217 6.252 -9.052 247 HA LYS 30 HA LYS 30 -8.812 7.061 -11.767 248 HB2 LYS 30 2HB LYS 30 -7.518 5.066 -9.938 249 HB3 LYS 30 3HB LYS 30 -7.142 5.059 -11.656 250 HG2 LYS 30 2HG LYS 30 -6.966 7.732 -10.664 251 HG3 LYS 30 3HG LYS 30 -6.015 6.657 -9.637 252 HD2 LYS 30 2HD LYS 30 -4.938 5.754 -11.695 253 HD3 LYS 30 3HD LYS 30 -5.797 6.980 -12.629 254 HE2 LYS 30 2HE LYS 30 -4.712 8.719 -11.213 255 HE3 LYS 30 3HE LYS 30 -3.764 7.443 -10.451 256 HZ1 LYS 30 3HZ LYS 30 -3.544 8.571 -13.136 257 HZ2 LYS 30 1HZ LYS 30 -3.210 6.921 -12.959 258 HZ3 LYS 30 2HZ LYS 30 -2.329 8.062 -12.074 259 H LEU 31 H LEU 31 -10.270 4.302 -10.160 260 HA LEU 31 HA LEU 31 -10.509 2.667 -12.469 261 HB2 LEU 31 2HB LEU 31 -10.710 2.085 -9.938 262 HB3 LEU 31 3HB LEU 31 -12.406 2.511 -10.164 263 HG LEU 31 HG LEU 31 -11.065 0.450 -11.889 264 HD11 LEU 31 1HD1 LEU 31 -12.194 0.141 -9.129 265 HD12 LEU 31 2HD1 LEU 31 -10.672 -0.466 -9.779 266 HD13 LEU 31 3HD1 LEU 31 -12.198 -1.192 -10.284 267 HD21 LEU 31 3HD2 LEU 31 -13.072 0.797 -12.870 268 HD22 LEU 31 1HD2 LEU 31 -13.807 1.434 -11.399 269 HD23 LEU 31 2HD2 LEU 31 -13.621 -0.308 -11.608 270 H GLU 32 H GLU 32 -12.694 4.944 -10.861 271 HA GLU 32 HA GLU 32 -14.906 4.476 -12.570 272 HB2 GLU 32 2HB GLU 32 -15.810 6.565 -11.633 273 HB3 GLU 32 3HB GLU 32 -15.197 5.495 -10.380 274 HG2 GLU 32 2HG GLU 32 -13.124 6.825 -10.301 275 HG3 GLU 32 3HG GLU 32 -13.816 7.927 -11.490 276 H GLU 33 H GLU 33 -12.250 6.804 -12.625 277 HA GLU 33 HA GLU 33 -13.222 8.319 -14.817 278 HB2 GLU 33 2HB GLU 33 -11.335 8.824 -13.046 279 HB3 GLU 33 3HB GLU 33 -10.296 8.082 -14.254 280 HG2 GLU 33 2HG GLU 33 -10.552 9.789 -15.735 281 HG3 GLU 33 3HG GLU 33 -12.164 10.201 -15.153 282 H SER 34 H SER 34 -11.206 5.460 -14.542 283 HA SER 34 HA SER 34 -10.244 5.397 -17.188 284 HB2 SER 34 2HB SER 34 -9.275 4.036 -15.378 285 HB3 SER 34 3HB SER 34 -10.756 3.081 -15.304 286 HG SER 34 HG SER 34 -8.771 2.437 -16.700 287 H GLU 35 H GLU 35 -13.100 3.925 -15.683 288 HA GLU 35 HA GLU 35 -13.992 2.765 -18.162 289 HB2 GLU 35 2HB GLU 35 -15.110 2.939 -15.384 290 HB3 GLU 35 3HB GLU 35 -16.132 2.415 -16.714 291 HG2 GLU 35 2HG GLU 35 -13.490 1.104 -16.342 292 HG3 GLU 35 3HG GLU 35 -14.810 0.692 -15.249 293 H GLY 36 H GLY 36 -14.035 5.852 -16.926 294 HA2 GLY 36 2HA GLY 36 -14.926 7.719 -18.043 295 HA3 GLY 36 3HA GLY 36 -16.054 6.657 -18.871 296 H ILE 37 H ILE 37 -17.182 5.342 -16.688 297 HA ILE 37 HA ILE 37 -18.311 7.478 -15.028 298 HB ILE 37 HB ILE 37 -20.594 6.407 -15.368 299 HG12 ILE 37 2HG1 ILE 37 -19.800 5.556 -18.074 300 HG13 ILE 37 3HG1 ILE 37 -19.200 4.528 -16.778 301 HG21 ILE 37 1HG2 ILE 37 -19.281 7.875 -17.650 302 HG22 ILE 37 2HG2 ILE 37 -21.021 7.696 -17.431 303 HG23 ILE 37 3HG2 ILE 37 -20.071 8.593 -16.247 304 HD11 ILE 37 3HD1 ILE 37 -21.984 5.170 -16.397 305 HD12 ILE 37 1HD1 ILE 37 -21.698 4.432 -17.972 306 HD13 ILE 37 2HD1 ILE 37 -21.190 3.599 -16.502 307 HA PRO 38 HA PRO 38 -18.062 4.564 -11.753 308 HB2 PRO 38 2HB PRO 38 -20.168 5.315 -10.213 309 HB3 PRO 38 3HB PRO 38 -18.686 6.270 -10.346 310 HG2 PRO 38 2HG PRO 38 -21.309 6.639 -11.742 311 HG3 PRO 38 3HG PRO 38 -20.252 7.858 -11.006 312 HD2 PRO 38 2HD PRO 38 -20.311 7.402 -13.674 313 HD3 PRO 38 3HD PRO 38 -18.839 7.914 -12.826 314 H GLY 39 H GLY 39 -18.741 2.534 -11.291 315 HA2 GLY 39 2HA GLY 39 -20.613 1.237 -12.918 316 HA3 GLY 39 3HA GLY 39 -19.953 0.591 -11.423 317 H ASN 40 H ASN 40 -20.928 2.328 -9.547 318 HA ASN 40 HA ASN 40 -23.574 3.102 -9.696 319 HB2 ASN 40 2HB ASN 40 -23.342 0.268 -9.743 320 HB3 ASN 40 3HB ASN 40 -24.005 0.719 -8.176 321 HD21 ASN 40 1HD2 ASN 40 -24.663 0.193 -11.425 322 HD22 ASN 40 2HD2 ASN 40 -26.277 0.808 -11.461 323 H MET 41 H MET 41 -22.087 0.904 -7.321 324 HA MET 41 HA MET 41 -22.330 3.043 -5.321 325 HB2 MET 41 2HB MET 41 -22.356 0.052 -5.150 326 HB3 MET 41 3HB MET 41 -21.898 1.001 -3.743 327 HG2 MET 41 2HG MET 41 -24.100 2.267 -4.152 328 HG3 MET 41 3HG MET 41 -24.525 0.887 -5.162 329 HE1 MET 41 3HE MET 41 -23.992 2.233 -1.543 330 HE2 MET 41 1HE MET 41 -23.763 0.749 -0.619 331 HE3 MET 41 2HE MET 41 -22.541 1.259 -1.783 332 H ILE 42 H ILE 42 -20.101 0.606 -6.589 333 HA ILE 42 HA ILE 42 -17.843 0.345 -6.399 334 HB ILE 42 HB ILE 42 -17.739 3.343 -6.117 335 HG12 ILE 42 2HG1 ILE 42 -17.445 2.781 -8.807 336 HG13 ILE 42 3HG1 ILE 42 -18.747 1.702 -8.319 337 HG21 ILE 42 1HG2 ILE 42 -15.748 1.438 -6.198 338 HG22 ILE 42 2HG2 ILE 42 -15.822 2.027 -7.858 339 HG23 ILE 42 3HG2 ILE 42 -15.555 3.158 -6.532 340 HD11 ILE 42 3HD1 ILE 42 -19.930 3.658 -7.362 341 HD12 ILE 42 1HD1 ILE 42 -18.665 4.693 -8.023 342 HD13 ILE 42 2HD1 ILE 42 -19.689 3.750 -9.106 343 H ARG 43 H ARG 43 -18.836 -0.325 -4.075 344 HA ARG 43 HA ARG 43 -17.215 1.094 -2.064 345 HB2 ARG 43 2HB ARG 43 -19.901 0.830 -1.984 346 HB3 ARG 43 3HB ARG 43 -19.429 -0.645 -1.150 347 HG2 ARG 43 2HG ARG 43 -19.142 0.513 0.709 348 HG3 ARG 43 3HG ARG 43 -17.875 1.456 -0.079 349 HD2 ARG 43 2HD ARG 43 -19.272 3.166 0.423 350 HD3 ARG 43 3HD ARG 43 -20.015 2.684 -1.102 351 HE ARG 43 HE ARG 43 -21.187 1.223 0.989 352 HH11 ARG 43 1HH1 ARG 43 -21.034 4.471 -0.254 353 HH12 ARG 43 2HH1 ARG 43 -22.602 4.911 0.338 354 HH21 ARG 43 1HH2 ARG 43 -23.253 1.790 1.773 355 HH22 ARG 43 2HH2 ARG 43 -23.862 3.386 1.492 356 H LEU 44 H LEU 44 -15.531 -0.012 -1.337 357 HA LEU 44 HA LEU 44 -15.534 -2.937 -1.613 358 HB2 LEU 44 2HB LEU 44 -13.080 -2.755 -1.419 359 HB3 LEU 44 3HB LEU 44 -13.741 -1.890 -2.806 360 HG LEU 44 HG LEU 44 -13.249 -0.351 -0.310 361 HD11 LEU 44 1HD1 LEU 44 -11.117 -0.990 -0.193 362 HD12 LEU 44 2HD1 LEU 44 -10.886 -0.091 -1.692 363 HD13 LEU 44 3HD1 LEU 44 -11.192 -1.827 -1.744 364 HD21 LEU 44 3HD2 LEU 44 -14.050 0.248 -2.877 365 HD22 LEU 44 1HD2 LEU 44 -12.343 0.693 -2.868 366 HD23 LEU 44 2HD2 LEU 44 -13.444 1.396 -1.683 367 H VAL 45 H VAL 45 -14.594 -4.219 0.091 368 HA VAL 45 HA VAL 45 -14.891 -2.964 2.742 369 HB VAL 45 HB VAL 45 -15.318 -5.875 2.061 370 HG11 VAL 45 1HG1 VAL 45 -14.578 -5.274 4.395 371 HG12 VAL 45 2HG1 VAL 45 -16.099 -4.395 4.563 372 HG13 VAL 45 3HG1 VAL 45 -16.112 -6.136 4.279 373 HG21 VAL 45 3HG2 VAL 45 -17.753 -5.164 2.677 374 HG22 VAL 45 1HG2 VAL 45 -17.197 -3.559 2.202 375 HG23 VAL 45 2HG2 VAL 45 -17.140 -4.889 1.046 376 H TYR 46 H TYR 46 -13.078 -2.797 3.868 377 HA TYR 46 HA TYR 46 -10.807 -4.518 3.169 378 HB2 TYR 46 2HB TYR 46 -10.912 -1.807 3.462 379 HB3 TYR 46 3HB TYR 46 -10.359 -2.303 5.058 380 HD1 TYR 46 HD2 TYR 46 -8.666 -4.618 4.429 381 HD2 TYR 46 HD1 TYR 46 -9.048 -0.888 2.419 382 HE1 TYR 46 HE2 TYR 46 -6.375 -4.856 3.565 383 HE2 TYR 46 HE1 TYR 46 -6.759 -1.116 1.548 384 HH TYR 46 HH TYR 46 -4.519 -2.941 2.719 385 H GLN 47 H GLN 47 -10.484 -6.231 4.409 386 HA GLN 47 HA GLN 47 -10.439 -7.639 6.196 387 HB2 GLN 47 2HB GLN 47 -9.149 -5.338 6.949 388 HB3 GLN 47 3HB GLN 47 -10.331 -5.533 8.236 389 HG2 GLN 47 2HG GLN 47 -9.316 -8.061 7.982 390 HG3 GLN 47 3HG GLN 47 -7.909 -7.047 7.666 391 HE21 GLN 47 1HE2 GLN 47 -7.426 -5.379 9.268 392 HE22 GLN 47 2HE2 GLN 47 -7.763 -5.702 10.931 393 H GLY 48 H GLY 48 -13.015 -6.753 5.291 394 HA2 GLY 48 2HA GLY 48 -15.171 -7.283 5.975 395 HA3 GLY 48 3HA GLY 48 -14.559 -7.544 7.602 396 H LYS 49 H LYS 49 -13.421 -4.615 6.585 397 HA LYS 49 HA LYS 49 -15.575 -3.215 8.009 398 HB2 LYS 49 2HB LYS 49 -12.716 -3.042 8.089 399 HB3 LYS 49 3HB LYS 49 -13.366 -1.492 7.570 400 HG2 LYS 49 2HG LYS 49 -13.751 -1.017 9.696 401 HG3 LYS 49 3HG LYS 49 -14.973 -2.291 9.711 402 HD2 LYS 49 2HD LYS 49 -12.076 -2.939 10.125 403 HD3 LYS 49 3HD LYS 49 -13.072 -2.362 11.463 404 HE2 LYS 49 2HE LYS 49 -13.745 -4.740 9.735 405 HE3 LYS 49 3HE LYS 49 -12.932 -4.843 11.296 406 HZ1 LYS 49 3HZ LYS 49 -15.083 -3.367 11.902 407 HZ2 LYS 49 1HZ LYS 49 -15.009 -5.049 12.069 408 HZ3 LYS 49 2HZ LYS 49 -15.720 -4.367 10.695 409 H GLN 50 H GLN 50 -16.276 -1.134 7.232 410 HA GLN 50 HA GLN 50 -16.062 -0.906 4.304 411 HB2 GLN 50 2HB GLN 50 -18.307 0.197 5.985 412 HB3 GLN 50 3HB GLN 50 -18.271 -0.035 4.242 413 HG2 GLN 50 2HG GLN 50 -19.419 -1.896 4.663 414 HG3 GLN 50 3HG GLN 50 -17.861 -2.570 5.138 415 HE21 GLN 50 1HE2 GLN 50 -17.439 -2.963 7.271 416 HE22 GLN 50 2HE2 GLN 50 -18.634 -2.840 8.513 417 H LEU 51 H LEU 51 -16.191 1.276 3.413 418 HA LEU 51 HA LEU 51 -15.482 3.430 3.240 419 HB2 LEU 51 2HB LEU 51 -15.807 3.690 6.211 420 HB3 LEU 51 3HB LEU 51 -15.966 4.937 4.976 421 HG LEU 51 HG LEU 51 -17.933 2.999 4.416 422 HD11 LEU 51 1HD1 LEU 51 -17.719 3.665 7.341 423 HD12 LEU 51 2HD1 LEU 51 -17.824 2.073 6.589 424 HD13 LEU 51 3HD1 LEU 51 -19.222 3.148 6.576 425 HD21 LEU 51 3HD2 LEU 51 -18.546 5.115 3.859 426 HD22 LEU 51 1HD2 LEU 51 -17.790 5.830 5.283 427 HD23 LEU 51 2HD2 LEU 51 -19.347 5.013 5.428 428 H GLU 52 H GLU 52 -13.384 3.400 2.693 429 HA GLU 52 HA GLU 52 -11.415 3.308 4.883 430 HB2 GLU 52 2HB GLU 52 -11.031 2.232 2.083 431 HB3 GLU 52 3HB GLU 52 -9.845 2.197 3.381 432 HG2 GLU 52 2HG GLU 52 -12.507 0.887 3.730 433 HG3 GLU 52 3HG GLU 52 -11.214 0.074 2.850 434 H ASP 53 H ASP 53 -12.821 5.213 2.624 435 HA ASP 53 HA ASP 53 -10.789 6.549 1.299 436 HB2 ASP 53 2HB ASP 53 -13.500 6.850 1.488 437 HB3 ASP 53 3HB ASP 53 -12.928 8.296 2.315 438 H GLU 54 H GLU 54 -12.015 7.035 4.578 439 HA GLU 54 HA GLU 54 -10.448 9.334 5.137 440 HB2 GLU 54 2HB GLU 54 -12.377 8.946 6.482 441 HB3 GLU 54 3HB GLU 54 -11.837 7.329 6.910 442 HG2 GLU 54 2HG GLU 54 -10.256 8.109 8.406 443 HG3 GLU 54 3HG GLU 54 -10.205 9.711 7.672 444 H LYS 55 H LYS 55 -9.762 5.967 5.059 445 HA LYS 55 HA LYS 55 -7.326 6.277 6.645 446 HB2 LYS 55 2HB LYS 55 -8.871 3.930 5.605 447 HB3 LYS 55 3HB LYS 55 -7.180 3.731 6.047 448 HG2 LYS 55 2HG LYS 55 -8.330 3.124 7.968 449 HG3 LYS 55 3HG LYS 55 -7.846 4.791 8.286 450 HD2 LYS 55 2HD LYS 55 -9.971 5.527 8.319 451 HD3 LYS 55 3HD LYS 55 -10.444 4.514 6.953 452 HE2 LYS 55 2HE LYS 55 -11.647 3.470 8.568 453 HE3 LYS 55 3HE LYS 55 -10.126 2.606 8.788 454 HZ1 LYS 55 3HZ LYS 55 -11.217 4.824 10.413 455 HZ2 LYS 55 1HZ LYS 55 -9.586 4.380 10.486 456 HZ3 LYS 55 2HZ LYS 55 -10.785 3.268 10.918 457 H ARG 56 H ARG 56 -7.433 7.666 4.181 458 HA ARG 56 HA ARG 56 -6.386 6.462 1.954 459 HB2 ARG 56 2HB ARG 56 -5.072 8.756 1.771 460 HB3 ARG 56 3HB ARG 56 -6.818 8.678 1.573 461 HG2 ARG 56 2HG ARG 56 -5.959 9.060 4.339 462 HG3 ARG 56 3HG ARG 56 -5.491 10.367 3.249 463 HD2 ARG 56 2HD ARG 56 -8.055 9.954 2.481 464 HD3 ARG 56 3HD ARG 56 -8.154 9.541 4.192 465 HE ARG 56 HE ARG 56 -6.814 11.904 4.172 466 HH11 ARG 56 1HH1 ARG 56 -9.843 10.820 2.840 467 HH12 ARG 56 2HH1 ARG 56 -10.600 12.374 2.957 468 HH21 ARG 56 1HH2 ARG 56 -7.800 13.955 4.331 469 HH22 ARG 56 2HH2 ARG 56 -9.437 14.157 3.805 470 H LEU 57 H LEU 57 -4.199 8.393 3.963 471 HA LEU 57 HA LEU 57 -1.900 6.989 3.156 472 HB2 LEU 57 2HB LEU 57 -2.142 9.338 4.189 473 HB3 LEU 57 3HB LEU 57 -2.085 8.499 5.738 474 HG LEU 57 HG LEU 57 0.091 8.218 3.681 475 HD11 LEU 57 1HD1 LEU 57 1.332 9.903 5.015 476 HD12 LEU 57 2HD1 LEU 57 -0.164 10.268 5.875 477 HD13 LEU 57 3HD1 LEU 57 -0.049 10.568 4.141 478 HD21 LEU 57 3HD2 LEU 57 -0.369 7.365 6.474 479 HD22 LEU 57 1HD2 LEU 57 1.257 7.919 6.071 480 HD23 LEU 57 2HD2 LEU 57 0.536 6.580 5.178 481 H LYS 58 H LYS 58 -4.055 6.609 5.900 482 HA LYS 58 HA LYS 58 -2.505 4.916 7.486 483 HB2 LYS 58 2HB LYS 58 -5.219 5.810 7.402 484 HB3 LYS 58 3HB LYS 58 -5.213 4.070 7.658 485 HG2 LYS 58 2HG LYS 58 -3.241 5.273 9.338 486 HG3 LYS 58 3HG LYS 58 -4.784 6.106 9.548 487 HD2 LYS 58 2HD LYS 58 -5.805 3.764 9.743 488 HD3 LYS 58 3HD LYS 58 -4.146 3.199 9.958 489 HE2 LYS 58 2HE LYS 58 -3.904 4.775 11.852 490 HE3 LYS 58 3HE LYS 58 -5.600 5.217 11.665 491 HZ1 LYS 58 3HZ LYS 58 -4.854 2.394 12.035 492 HZ2 LYS 58 1HZ LYS 58 -6.307 3.174 12.412 493 HZ3 LYS 58 2HZ LYS 58 -4.939 3.422 13.375 494 H ASP 59 H ASP 59 -4.205 4.314 4.529 495 HA ASP 59 HA ASP 59 -4.156 1.438 4.812 496 HB2 ASP 59 2HB ASP 59 -5.194 3.383 2.834 497 HB3 ASP 59 3HB ASP 59 -4.714 1.813 2.196 498 H TYR 60 H TYR 60 -1.996 3.854 3.806 499 HA TYR 60 HA TYR 60 -0.539 2.317 1.879 500 HB2 TYR 60 2HB TYR 60 -0.512 4.777 1.859 501 HB3 TYR 60 3HB TYR 60 0.288 4.783 3.427 502 HD1 TYR 60 HD1 TYR 60 0.841 2.949 0.209 503 HD2 TYR 60 HD2 TYR 60 2.495 5.410 3.261 504 HE1 TYR 60 HE1 TYR 60 3.027 2.861 -0.913 505 HE2 TYR 60 HE2 TYR 60 4.686 5.330 2.146 506 HH TYR 60 HH TYR 60 5.779 4.735 0.274 507 H GLN 61 H GLN 61 -0.593 2.511 5.307 508 HA GLN 61 HA GLN 61 2.071 1.550 5.750 509 HB2 GLN 61 2HB GLN 61 -0.202 2.376 7.371 510 HB3 GLN 61 3HB GLN 61 0.603 0.959 8.032 511 HG2 GLN 61 2HG GLN 61 2.631 2.089 8.296 512 HG3 GLN 61 3HG GLN 61 2.141 3.398 7.222 513 HE21 GLN 61 1HE2 GLN 61 3.035 3.186 10.122 514 HE22 GLN 61 2HE2 GLN 61 1.868 4.125 10.982 515 H MET 62 H MET 62 -0.647 0.099 4.538 516 HA MET 62 HA MET 62 -0.324 -2.477 5.810 517 HB2 MET 62 2HB MET 62 -1.963 -1.899 3.350 518 HB3 MET 62 3HB MET 62 -2.186 -3.187 4.526 519 HG2 MET 62 2HG MET 62 -2.634 -0.249 4.999 520 HG3 MET 62 3HG MET 62 -3.879 -1.477 4.783 521 HE1 MET 62 3HE MET 62 -4.487 -2.867 8.148 522 HE2 MET 62 1HE MET 62 -5.227 -1.925 6.853 523 HE3 MET 62 2HE MET 62 -4.357 -3.412 6.475 524 H SER 63 H SER 63 -0.319 -1.551 2.365 525 HA SER 63 HA SER 63 0.877 -2.319 0.588 526 HB2 SER 63 2HB SER 63 3.075 -3.008 2.537 527 HB3 SER 63 3HB SER 63 3.228 -2.526 0.847 528 HG SER 63 HG SER 63 2.518 -0.935 3.074 529 H ALA 64 H ALA 64 -0.752 -4.184 2.256 530 HA ALA 64 HA ALA 64 -0.279 -6.545 0.828 531 HB1 ALA 64 1HB ALA 64 1.008 -7.867 2.114 532 HB2 ALA 64 2HB ALA 64 1.607 -6.336 2.755 533 HB3 ALA 64 3HB ALA 64 0.350 -7.223 3.618 534 H GLY 65 H GLY 65 -2.508 -5.000 1.399 535 HA2 GLY 65 2HA GLY 65 -4.070 -6.789 3.160 536 HA3 GLY 65 3HA GLY 65 -4.395 -5.070 2.998 537 H ALA 66 H ALA 66 -5.487 -8.017 2.134 538 HA ALA 66 HA ALA 66 -6.099 -7.779 -0.598 539 HB1 ALA 66 1HB ALA 66 -6.551 -9.902 -0.045 540 HB2 ALA 66 2HB ALA 66 -6.926 -9.490 1.629 541 HB3 ALA 66 3HB ALA 66 -8.150 -9.287 0.375 542 H THR 67 H THR 67 -7.695 -6.781 -1.695 543 HA THR 67 HA THR 67 -9.731 -5.333 -0.129 544 HB THR 67 HB THR 67 -9.366 -4.001 -2.605 545 HG1 THR 67 HG1 THR 67 -6.945 -4.569 -1.216 546 HG21 THR 67 3HG2 THR 67 -10.124 -3.074 -0.410 547 HG22 THR 67 1HG2 THR 67 -8.896 -2.100 -1.216 548 HG23 THR 67 2HG2 THR 67 -8.450 -3.138 0.138 549 H PHE 68 H PHE 68 -11.809 -5.383 -0.862 550 HA PHE 68 HA PHE 68 -12.324 -6.797 -3.389 551 HB2 PHE 68 2HB PHE 68 -12.759 -8.444 -1.733 552 HB3 PHE 68 3HB PHE 68 -13.588 -7.289 -0.696 553 HD1 PHE 68 HD1 PHE 68 -13.854 -8.736 -4.123 554 HD2 PHE 68 HD2 PHE 68 -15.882 -7.326 -0.656 555 HE1 PHE 68 HE1 PHE 68 -16.006 -9.399 -5.116 556 HE2 PHE 68 HE2 PHE 68 -18.036 -7.988 -1.643 557 HZ PHE 68 HZ PHE 68 -18.100 -9.026 -3.875 558 H HIS 69 H HIS 69 -13.305 -5.424 -4.708 559 HA HIS 69 HA HIS 69 -14.924 -3.255 -3.634 560 HB2 HIS 69 2HB HIS 69 -13.901 -3.883 -6.402 561 HB3 HIS 69 3HB HIS 69 -15.013 -2.557 -6.078 562 HD1 HIS 69 HD1 HIS 69 -11.982 -3.545 -4.024 563 HD2 HIS 69 HD2 HIS 69 -13.365 -0.410 -6.373 564 HE1 HIS 69 HE1 HIS 69 -10.280 -1.711 -3.767 565 H MET 70 H MET 70 -17.092 -2.940 -4.076 566 HA MET 70 HA MET 70 -18.493 -5.158 -5.409 567 HB2 MET 70 2HB MET 70 -18.751 -5.431 -3.003 568 HB3 MET 70 3HB MET 70 -19.310 -3.771 -2.850 569 HG2 MET 70 2HG MET 70 -21.394 -4.377 -3.262 570 HG3 MET 70 3HG MET 70 -20.917 -5.159 -4.767 571 HE1 MET 70 3HE MET 70 -20.903 -5.602 -0.870 572 HE2 MET 70 1HE MET 70 -22.567 -5.688 -1.447 573 HE3 MET 70 2HE MET 70 -21.802 -7.115 -0.747 574 H VAL 71 H VAL 71 -19.954 -4.567 -6.894 575 HA VAL 71 HA VAL 71 -20.815 -1.748 -6.946 576 HB VAL 71 HB VAL 71 -19.235 -2.004 -8.727 577 HG11 VAL 71 1HG1 VAL 71 -18.853 -3.996 -9.628 578 HG12 VAL 71 2HG1 VAL 71 -20.308 -4.649 -8.873 579 HG13 VAL 71 3HG1 VAL 71 -20.403 -3.891 -10.463 580 HG21 VAL 71 3HG2 VAL 71 -20.496 -0.893 -10.201 581 HG22 VAL 71 1HG2 VAL 71 -21.563 -2.275 -10.455 582 HG23 VAL 71 2HG2 VAL 71 -21.839 -1.186 -9.095 583 H VAL 72 H VAL 72 -22.909 -1.710 -6.459 584 HA VAL 72 HA VAL 72 -24.636 -3.938 -7.206 585 HB VAL 72 HB VAL 72 -25.671 -1.519 -5.797 586 HG11 VAL 72 1HG1 VAL 72 -26.202 -4.351 -5.036 587 HG12 VAL 72 2HG1 VAL 72 -27.265 -2.944 -4.961 588 HG13 VAL 72 3HG1 VAL 72 -26.923 -3.711 -6.512 589 HG21 VAL 72 3HG2 VAL 72 -24.911 -2.481 -3.636 590 HG22 VAL 72 1HG2 VAL 72 -23.910 -3.618 -4.539 591 HG23 VAL 72 2HG2 VAL 72 -23.591 -1.886 -4.644 592 H ALA 73 H ALA 73 -25.276 -3.848 -9.277 593 HA ALA 73 HA ALA 73 -26.503 -1.337 -10.210 594 HB1 ALA 73 1HB ALA 73 -25.260 -3.234 -12.149 595 HB2 ALA 73 2HB ALA 73 -25.536 -1.498 -12.293 596 HB3 ALA 73 3HB ALA 73 -24.240 -2.102 -11.261 597 H LEU 74 H LEU 74 -28.626 -1.791 -9.964 598 HA LEU 74 HA LEU 74 -29.703 -3.987 -11.567 599 HB2 LEU 74 2HB LEU 74 -31.167 -4.738 -9.821 600 HB3 LEU 74 3HB LEU 74 -29.500 -4.808 -9.254 601 HG LEU 74 HG LEU 74 -30.684 -2.300 -8.507 602 HD11 LEU 74 1HD1 LEU 74 -32.240 -3.480 -6.791 603 HD12 LEU 74 2HD1 LEU 74 -32.289 -4.765 -7.997 604 HD13 LEU 74 3HD1 LEU 74 -32.829 -3.140 -8.419 605 HD21 LEU 74 3HD2 LEU 74 -28.745 -3.830 -7.563 606 HD22 LEU 74 1HD2 LEU 74 -30.053 -4.451 -6.558 607 HD23 LEU 74 2HD2 LEU 74 -29.652 -2.734 -6.520 608 H ARG 75 H ARG 75 -29.651 -1.276 -12.204 609 HA ARG 75 HA ARG 75 -32.164 -0.063 -11.495 610 HB2 ARG 75 2HB ARG 75 -29.714 0.766 -12.739 611 HB3 ARG 75 3HB ARG 75 -31.068 1.221 -13.765 612 HG2 ARG 75 2HG ARG 75 -30.640 3.050 -12.330 613 HG3 ARG 75 3HG ARG 75 -32.117 2.278 -11.747 614 HD2 ARG 75 2HD ARG 75 -30.207 0.946 -10.335 615 HD3 ARG 75 3HD ARG 75 -29.491 2.552 -10.466 616 HE ARG 75 HE ARG 75 -32.045 3.039 -9.675 617 HH11 ARG 75 1HH1 ARG 75 -29.459 1.050 -8.458 618 HH12 ARG 75 2HH1 ARG 75 -29.959 1.185 -6.805 619 HH21 ARG 75 1HH2 ARG 75 -32.713 3.223 -7.501 620 HH22 ARG 75 2HH2 ARG 75 -31.810 2.420 -6.262 621 H ALA 76 H ALA 76 -30.767 -1.046 -14.631 622 HA ALA 76 HA ALA 76 -31.720 -1.819 -16.548 623 HB1 ALA 76 1HB ALA 76 -34.198 -2.775 -15.308 624 HB2 ALA 76 2HB ALA 76 -32.998 -3.641 -16.268 625 HB3 ALA 76 3HB ALA 76 -32.721 -3.368 -14.548 626 H GLY 77 H GLY 77 -33.910 -1.779 -17.841 627 HA2 GLY 77 2HA GLY 77 -35.902 -0.606 -18.373 628 HA3 GLY 77 3HA GLY 77 -35.471 0.613 -17.183 629 H CYS 78 H CYS 78 -34.287 -0.746 -20.257 630 HA CYS 78 HA CYS 78 -33.516 1.989 -21.039 631 HB2 CYS 78 2HB CYS 78 -32.006 -0.466 -21.045 632 HB3 CYS 78 3HB CYS 78 -32.142 0.161 -22.683 633 HG CYS 78 HG CYS 78 -29.806 1.238 -22.012 Start of MODEL 10 1 H MET 1 H MET 1 1.748 0.250 0.623 2 HA MET 1 HA MET 1 2.090 1.108 -1.903 3 HB2 MET 1 2HB MET 1 3.813 0.142 -0.234 4 HB3 MET 1 3HB MET 1 3.511 -1.394 -1.034 5 HG2 MET 1 2HG MET 1 5.069 -0.830 -2.498 6 HG3 MET 1 3HG MET 1 3.951 0.386 -3.111 7 HE1 MET 1 3HE MET 1 7.112 2.525 -3.172 8 HE2 MET 1 1HE MET 1 6.448 1.087 -3.947 9 HE3 MET 1 2HE MET 1 5.457 2.536 -3.781 10 H LEU 2 H LEU 2 1.855 -2.396 -1.278 11 HA LEU 2 HA LEU 2 0.658 -2.697 -3.948 12 HB2 LEU 2 2HB LEU 2 2.674 -3.932 -3.787 13 HB3 LEU 2 3HB LEU 2 2.227 -4.585 -2.212 14 HG LEU 2 HG LEU 2 0.492 -5.272 -4.522 15 HD11 LEU 2 1HD1 LEU 2 2.053 -6.268 -5.736 16 HD12 LEU 2 2HD1 LEU 2 2.554 -7.223 -4.340 17 HD13 LEU 2 3HD1 LEU 2 3.293 -5.651 -4.644 18 HD21 LEU 2 3HD2 LEU 2 -0.286 -6.306 -2.647 19 HD22 LEU 2 1HD2 LEU 2 1.312 -6.418 -1.908 20 HD23 LEU 2 2HD2 LEU 2 0.856 -7.536 -3.194 21 H LEU 3 H LEU 3 -1.408 -3.256 -4.101 22 HA LEU 3 HA LEU 3 -2.655 -4.781 -1.933 23 HB2 LEU 3 2HB LEU 3 -4.441 -3.327 -1.647 24 HB3 LEU 3 3HB LEU 3 -3.042 -2.259 -1.739 25 HG LEU 3 HG LEU 3 -4.966 -2.798 -4.001 26 HD11 LEU 3 1HD1 LEU 3 -6.306 -1.289 -3.090 27 HD12 LEU 3 2HD1 LEU 3 -5.002 -0.104 -3.156 28 HD13 LEU 3 3HD1 LEU 3 -5.208 -1.108 -1.721 29 HD21 LEU 3 3HD2 LEU 3 -2.562 -1.019 -3.707 30 HD22 LEU 3 1HD2 LEU 3 -3.813 -0.723 -4.914 31 HD23 LEU 3 2HD2 LEU 3 -2.892 -2.227 -4.950 32 H LYS 4 H LYS 4 -4.425 -6.045 -2.554 33 HA LYS 4 HA LYS 4 -4.704 -6.381 -5.466 34 HB2 LYS 4 2HB LYS 4 -3.786 -8.364 -4.511 35 HB3 LYS 4 3HB LYS 4 -4.956 -8.353 -3.198 36 HG2 LYS 4 2HG LYS 4 -6.745 -8.860 -4.760 37 HG3 LYS 4 3HG LYS 4 -5.600 -8.819 -6.103 38 HD2 LYS 4 2HD LYS 4 -5.532 -11.050 -5.746 39 HD3 LYS 4 3HD LYS 4 -4.372 -10.596 -4.495 40 HE2 LYS 4 2HE LYS 4 -6.394 -10.426 -2.940 41 HE3 LYS 4 3HE LYS 4 -7.281 -11.288 -4.197 42 HZ1 LYS 4 3HZ LYS 4 -6.295 -13.206 -3.672 43 HZ2 LYS 4 1HZ LYS 4 -5.870 -12.455 -2.217 44 HZ3 LYS 4 2HZ LYS 4 -4.766 -12.505 -3.497 45 H VAL 5 H VAL 5 -6.510 -5.481 -6.203 46 HA VAL 5 HA VAL 5 -8.907 -5.494 -4.502 47 HB VAL 5 HB VAL 5 -9.783 -3.759 -6.038 48 HG11 VAL 5 1HG1 VAL 5 -8.867 -2.822 -4.137 49 HG12 VAL 5 2HG1 VAL 5 -7.233 -3.359 -4.532 50 HG13 VAL 5 3HG1 VAL 5 -7.957 -2.013 -5.413 51 HG21 VAL 5 3HG2 VAL 5 -7.408 -2.877 -7.275 52 HG22 VAL 5 1HG2 VAL 5 -7.561 -4.599 -7.627 53 HG23 VAL 5 2HG2 VAL 5 -8.870 -3.493 -8.046 54 H LYS 6 H LYS 6 -10.547 -6.792 -4.984 55 HA LYS 6 HA LYS 6 -10.768 -7.823 -7.735 56 HB2 LYS 6 2HB LYS 6 -11.669 -9.938 -6.690 57 HB3 LYS 6 3HB LYS 6 -9.951 -9.648 -6.448 58 HG2 LYS 6 2HG LYS 6 -10.200 -9.749 -4.253 59 HG3 LYS 6 3HG LYS 6 -11.424 -8.478 -4.295 60 HD2 LYS 6 2HD LYS 6 -12.432 -10.395 -3.306 61 HD3 LYS 6 3HD LYS 6 -13.092 -10.244 -4.936 62 HE2 LYS 6 2HE LYS 6 -12.192 -12.188 -5.604 63 HE3 LYS 6 3HE LYS 6 -10.667 -11.875 -4.776 64 HZ1 LYS 6 3HZ LYS 6 -11.279 -13.290 -3.208 65 HZ2 LYS 6 1HZ LYS 6 -12.753 -13.571 -3.990 66 HZ3 LYS 6 2HZ LYS 6 -12.627 -12.338 -2.839 67 H THR 7 H THR 7 -12.662 -7.439 -8.671 68 HA THR 7 HA THR 7 -14.822 -6.297 -7.107 69 HB THR 7 HB THR 7 -15.377 -6.790 -9.939 70 HG1 THR 7 HG1 THR 7 -13.241 -5.024 -9.276 71 HG21 THR 7 3HG2 THR 7 -15.857 -4.349 -9.859 72 HG22 THR 7 1HG2 THR 7 -15.303 -4.333 -8.185 73 HG23 THR 7 2HG2 THR 7 -16.725 -5.275 -8.635 74 H VAL 8 H VAL 8 -17.107 -7.000 -7.713 75 HA VAL 8 HA VAL 8 -17.445 -9.710 -6.970 76 HB VAL 8 HB VAL 8 -19.082 -7.893 -6.472 77 HG11 VAL 8 1HG1 VAL 8 -18.987 -6.891 -8.764 78 HG12 VAL 8 2HG1 VAL 8 -19.968 -8.244 -9.330 79 HG13 VAL 8 3HG1 VAL 8 -20.616 -7.125 -8.130 80 HG21 VAL 8 3HG2 VAL 8 -20.838 -9.354 -6.341 81 HG22 VAL 8 1HG2 VAL 8 -20.592 -9.968 -7.976 82 HG23 VAL 8 2HG2 VAL 8 -19.528 -10.488 -6.669 83 H SER 9 H SER 9 -16.766 -8.300 -9.948 84 HA SER 9 HA SER 9 -18.140 -10.304 -11.541 85 HB2 SER 9 2HB SER 9 -16.663 -7.786 -12.091 86 HB3 SER 9 3HB SER 9 -16.625 -9.018 -13.352 87 HG SER 9 HG SER 9 -18.715 -7.451 -12.470 88 H ASN 10 H ASN 10 -15.693 -10.661 -9.627 89 HA ASN 10 HA ASN 10 -13.970 -12.143 -9.488 90 HB2 ASN 10 2HB ASN 10 -15.695 -13.299 -11.304 91 HB3 ASN 10 3HB ASN 10 -14.169 -13.268 -12.183 92 HD21 ASN 10 1HD2 ASN 10 -15.642 -14.241 -9.131 93 HD22 ASN 10 2HD2 ASN 10 -14.583 -15.574 -8.839 94 H LYS 11 H LYS 11 -13.529 -9.506 -10.440 95 HA LYS 11 HA LYS 11 -11.327 -9.899 -12.355 96 HB2 LYS 11 2HB LYS 11 -13.011 -7.482 -11.710 97 HB3 LYS 11 3HB LYS 11 -11.512 -7.369 -12.622 98 HG2 LYS 11 2HG LYS 11 -12.492 -9.011 -14.247 99 HG3 LYS 11 3HG LYS 11 -14.025 -8.828 -13.391 100 HD2 LYS 11 2HD LYS 11 -14.048 -6.453 -13.884 101 HD3 LYS 11 3HD LYS 11 -12.468 -6.575 -14.660 102 HE2 LYS 11 2HE LYS 11 -14.092 -8.505 -15.890 103 HE3 LYS 11 3HE LYS 11 -15.082 -7.053 -15.755 104 HZ1 LYS 11 3HZ LYS 11 -12.785 -6.022 -16.626 105 HZ2 LYS 11 1HZ LYS 11 -14.038 -6.514 -17.652 106 HZ3 LYS 11 2HZ LYS 11 -12.724 -7.541 -17.369 107 H VAL 12 H VAL 12 -9.758 -10.524 -10.866 108 HA VAL 12 HA VAL 12 -9.139 -8.721 -8.657 109 HB VAL 12 HB VAL 12 -7.707 -11.273 -9.391 110 HG11 VAL 12 1HG1 VAL 12 -7.287 -11.177 -6.849 111 HG12 VAL 12 2HG1 VAL 12 -6.361 -10.100 -7.897 112 HG13 VAL 12 3HG1 VAL 12 -7.741 -9.479 -6.991 113 HG21 VAL 12 3HG2 VAL 12 -9.558 -12.374 -8.819 114 HG22 VAL 12 1HG2 VAL 12 -9.313 -11.774 -7.179 115 HG23 VAL 12 2HG2 VAL 12 -10.357 -10.892 -8.294 116 H ILE 13 H ILE 13 -7.448 -7.359 -8.614 117 HA ILE 13 HA ILE 13 -5.414 -7.567 -10.722 118 HB ILE 13 HB ILE 13 -6.675 -4.951 -9.902 119 HG12 ILE 13 2HG1 ILE 13 -8.272 -6.363 -11.149 120 HG13 ILE 13 3HG1 ILE 13 -7.779 -4.952 -12.079 121 HG21 ILE 13 1HG2 ILE 13 -4.431 -4.625 -10.618 122 HG22 ILE 13 2HG2 ILE 13 -4.648 -5.701 -11.996 123 HG23 ILE 13 3HG2 ILE 13 -5.476 -4.144 -11.955 124 HD11 ILE 13 3HD1 ILE 13 -7.012 -6.217 -13.724 125 HD12 ILE 13 1HD1 ILE 13 -6.064 -7.206 -12.613 126 HD13 ILE 13 2HD1 ILE 13 -7.759 -7.593 -12.911 127 H GLN 14 H GLN 14 -3.486 -7.718 -9.805 128 HA GLN 14 HA GLN 14 -3.077 -6.550 -7.145 129 HB2 GLN 14 2HB GLN 14 -2.630 -9.031 -7.661 130 HB3 GLN 14 3HB GLN 14 -1.205 -8.462 -8.519 131 HG2 GLN 14 2HG GLN 14 -0.432 -7.376 -6.443 132 HG3 GLN 14 3HG GLN 14 -1.822 -8.059 -5.602 133 HE21 GLN 14 1HE2 GLN 14 1.181 -8.786 -7.234 134 HE22 GLN 14 2HE2 GLN 14 1.391 -10.363 -6.561 135 H ILE 15 H ILE 15 -2.174 -4.606 -7.135 136 HA ILE 15 HA ILE 15 -0.075 -4.026 -9.122 137 HB ILE 15 HB ILE 15 -0.700 -1.649 -8.967 138 HG12 ILE 15 2HG1 ILE 15 -1.835 -2.118 -6.640 139 HG13 ILE 15 3HG1 ILE 15 -2.446 -0.841 -7.685 140 HG21 ILE 15 1HG2 ILE 15 -2.679 -3.686 -9.894 141 HG22 ILE 15 2HG2 ILE 15 -3.047 -1.968 -10.041 142 HG23 ILE 15 3HG2 ILE 15 -1.623 -2.636 -10.839 143 HD11 ILE 15 3HD1 ILE 15 -4.368 -1.955 -8.151 144 HD12 ILE 15 1HD1 ILE 15 -3.624 -3.544 -7.974 145 HD13 ILE 15 2HD1 ILE 15 -4.041 -2.600 -6.543 146 H THR 16 H THR 16 1.670 -2.698 -8.438 147 HA THR 16 HA THR 16 2.008 -2.553 -5.514 148 HB THR 16 HB THR 16 3.433 -4.324 -6.259 149 HG1 THR 16 HG1 THR 16 5.207 -2.124 -6.135 150 HG21 THR 16 3HG2 THR 16 3.983 -4.337 -8.431 151 HG22 THR 16 1HG2 THR 16 5.312 -3.272 -7.978 152 HG23 THR 16 2HG2 THR 16 3.800 -2.590 -8.575 153 H SER 17 H SER 17 1.025 -0.357 -6.206 154 HA SER 17 HA SER 17 3.046 1.601 -5.967 155 HB2 SER 17 2HB SER 17 3.557 1.419 -8.248 156 HB3 SER 17 3HB SER 17 1.873 1.162 -8.701 157 HG SER 17 HG SER 17 3.225 3.450 -8.605 158 H LEU 18 H LEU 18 1.535 1.948 -4.218 159 HA LEU 18 HA LEU 18 -0.951 3.294 -5.026 160 HB2 LEU 18 2HB LEU 18 -0.470 1.341 -3.111 161 HB3 LEU 18 3HB LEU 18 -0.645 2.828 -2.182 162 HG LEU 18 HG LEU 18 -2.857 3.179 -3.063 163 HD11 LEU 18 1HD1 LEU 18 -2.744 2.448 -5.287 164 HD12 LEU 18 2HD1 LEU 18 -3.856 1.329 -4.500 165 HD13 LEU 18 3HD1 LEU 18 -2.193 0.838 -4.821 166 HD21 LEU 18 3HD2 LEU 18 -2.600 1.689 -1.121 167 HD22 LEU 18 1HD2 LEU 18 -2.531 0.304 -2.210 168 HD23 LEU 18 2HD2 LEU 18 -4.003 1.271 -2.105 169 H THR 19 H THR 19 -1.561 5.253 -3.947 170 HA THR 19 HA THR 19 0.723 6.975 -3.455 171 HB THR 19 HB THR 19 -1.982 8.108 -3.135 172 HG1 THR 19 HG1 THR 19 -2.024 8.067 -5.607 173 HG21 THR 19 3HG2 THR 19 0.659 8.895 -4.015 174 HG22 THR 19 1HG2 THR 19 -0.690 9.897 -3.482 175 HG23 THR 19 2HG2 THR 19 -0.576 9.396 -5.170 176 H ASP 20 H ASP 20 0.201 8.757 -1.691 177 HA ASP 20 HA ASP 20 -0.627 7.357 0.767 178 HB2 ASP 20 2HB ASP 20 1.111 9.032 1.827 179 HB3 ASP 20 3HB ASP 20 1.645 7.502 1.135 180 H ASP 21 H ASP 21 -1.548 9.644 -1.293 181 HA ASP 21 HA ASP 21 -2.313 11.643 0.701 182 HB2 ASP 21 2HB ASP 21 -1.710 11.715 -2.103 183 HB3 ASP 21 3HB ASP 21 -3.342 12.327 -1.847 184 H ASN 22 H ASN 22 -3.829 9.643 -1.826 185 HA ASN 22 HA ASN 22 -6.364 9.857 -0.336 186 HB2 ASN 22 2HB ASN 22 -5.789 9.785 -3.279 187 HB3 ASN 22 3HB ASN 22 -7.334 9.194 -2.676 188 HD21 ASN 22 1HD2 ASN 22 -8.165 10.820 -0.848 189 HD22 ASN 22 2HD2 ASN 22 -8.256 12.457 -1.393 190 H THR 23 H THR 23 -4.324 7.728 -2.296 191 HA THR 23 HA THR 23 -4.080 5.465 -2.347 192 HB THR 23 HB THR 23 -5.355 5.667 0.385 193 HG1 THR 23 HG1 THR 23 -2.669 5.500 -0.540 194 HG21 THR 23 3HG2 THR 23 -4.219 3.329 -1.112 195 HG22 THR 23 1HG2 THR 23 -5.722 3.435 -0.196 196 HG23 THR 23 2HG2 THR 23 -4.175 3.385 0.649 197 H ILE 24 H ILE 24 -7.036 5.380 -0.418 198 HA ILE 24 HA ILE 24 -8.284 3.535 -2.182 199 HB ILE 24 HB ILE 24 -9.515 5.163 0.045 200 HG12 ILE 24 2HG1 ILE 24 -9.324 2.643 1.007 201 HG13 ILE 24 3HG1 ILE 24 -7.902 2.680 -0.030 202 HG21 ILE 24 1HG2 ILE 24 -11.283 3.481 0.033 203 HG22 ILE 24 2HG2 ILE 24 -11.179 4.305 -1.521 204 HG23 ILE 24 3HG2 ILE 24 -10.520 2.680 -1.340 205 HD11 ILE 24 3HD1 ILE 24 -6.776 3.908 1.428 206 HD12 ILE 24 1HD1 ILE 24 -8.099 5.063 1.587 207 HD13 ILE 24 2HD1 ILE 24 -8.084 3.598 2.568 208 H ALA 25 H ALA 25 -8.942 6.953 -1.429 209 HA ALA 25 HA ALA 25 -11.071 7.317 -3.198 210 HB1 ALA 25 1HB ALA 25 -9.798 8.884 -1.378 211 HB2 ALA 25 2HB ALA 25 -9.300 9.634 -2.895 212 HB3 ALA 25 3HB ALA 25 -11.014 9.455 -2.520 213 H GLU 26 H GLU 26 -7.586 7.566 -3.713 214 HA GLU 26 HA GLU 26 -7.749 8.607 -6.349 215 HB2 GLU 26 2HB GLU 26 -5.719 8.858 -5.044 216 HB3 GLU 26 3HB GLU 26 -5.530 7.113 -4.944 217 HG2 GLU 26 2HG GLU 26 -4.351 7.119 -6.808 218 HG3 GLU 26 3HG GLU 26 -5.711 7.818 -7.684 219 H LEU 27 H LEU 27 -7.512 5.344 -5.025 220 HA LEU 27 HA LEU 27 -7.162 4.011 -7.494 221 HB2 LEU 27 2HB LEU 27 -7.435 3.317 -4.746 222 HB3 LEU 27 3HB LEU 27 -8.556 2.331 -5.683 223 HG LEU 27 HG LEU 27 -5.562 2.486 -6.009 224 HD11 LEU 27 1HD1 LEU 27 -6.292 1.150 -4.116 225 HD12 LEU 27 2HD1 LEU 27 -5.653 0.118 -5.395 226 HD13 LEU 27 3HD1 LEU 27 -7.396 0.250 -5.157 227 HD21 LEU 27 3HD2 LEU 27 -6.136 2.138 -8.185 228 HD22 LEU 27 1HD2 LEU 27 -7.699 1.429 -7.777 229 HD23 LEU 27 2HD2 LEU 27 -6.226 0.474 -7.603 230 H LYS 28 H LYS 28 -10.054 4.580 -5.502 231 HA LYS 28 HA LYS 28 -11.870 3.333 -7.267 232 HB2 LYS 28 2HB LYS 28 -13.612 4.428 -5.972 233 HB3 LYS 28 3HB LYS 28 -12.374 3.791 -4.897 234 HG2 LYS 28 2HG LYS 28 -11.390 6.069 -4.777 235 HG3 LYS 28 3HG LYS 28 -12.759 6.660 -5.721 236 HD2 LYS 28 2HD LYS 28 -12.974 5.240 -3.067 237 HD3 LYS 28 3HD LYS 28 -13.045 6.990 -3.285 238 HE2 LYS 28 2HE LYS 28 -14.913 6.176 -5.069 239 HE3 LYS 28 3HE LYS 28 -15.066 4.923 -3.839 240 HZ1 LYS 28 3HZ LYS 28 -15.605 6.496 -2.213 241 HZ2 LYS 28 1HZ LYS 28 -16.493 6.978 -3.570 242 HZ3 LYS 28 2HZ LYS 28 -15.075 7.800 -3.152 243 H GLY 29 H GLY 29 -10.745 6.669 -6.955 244 HA2 GLY 29 2HA GLY 29 -12.552 7.786 -8.834 245 HA3 GLY 29 3HA GLY 29 -11.044 8.511 -8.297 246 H LYS 30 H LYS 30 -9.399 6.275 -9.157 247 HA LYS 30 HA LYS 30 -8.975 7.099 -11.856 248 HB2 LYS 30 2HB LYS 30 -7.699 5.091 -10.031 249 HB3 LYS 30 3HB LYS 30 -7.303 5.094 -11.745 250 HG2 LYS 30 2HG LYS 30 -7.126 7.628 -10.178 251 HG3 LYS 30 3HG LYS 30 -5.837 6.427 -10.070 252 HD2 LYS 30 2HD LYS 30 -5.951 6.490 -12.678 253 HD3 LYS 30 3HD LYS 30 -6.729 8.053 -12.415 254 HE2 LYS 30 2HE LYS 30 -4.346 8.354 -12.728 255 HE3 LYS 30 3HE LYS 30 -4.795 8.766 -11.073 256 HZ1 LYS 30 3HZ LYS 30 -3.968 6.016 -11.539 257 HZ2 LYS 30 1HZ LYS 30 -3.639 7.041 -10.233 258 HZ3 LYS 30 2HZ LYS 30 -2.756 7.188 -11.668 259 H LEU 31 H LEU 31 -10.414 4.287 -10.313 260 HA LEU 31 HA LEU 31 -10.626 2.706 -12.660 261 HB2 LEU 31 2HB LEU 31 -10.824 2.056 -10.149 262 HB3 LEU 31 3HB LEU 31 -12.523 2.473 -10.360 263 HG LEU 31 HG LEU 31 -11.378 0.579 -12.323 264 HD11 LEU 31 1HD1 LEU 31 -11.558 0.024 -9.399 265 HD12 LEU 31 2HD1 LEU 31 -10.360 -0.512 -10.577 266 HD13 LEU 31 3HD1 LEU 31 -11.962 -1.249 -10.552 267 HD21 LEU 31 3HD2 LEU 31 -13.547 0.346 -12.715 268 HD22 LEU 31 1HD2 LEU 31 -13.926 1.429 -11.376 269 HD23 LEU 31 2HD2 LEU 31 -13.764 -0.304 -11.089 270 H GLU 32 H GLU 32 -12.847 4.914 -11.004 271 HA GLU 32 HA GLU 32 -15.046 4.458 -12.734 272 HB2 GLU 32 2HB GLU 32 -15.978 6.517 -11.749 273 HB3 GLU 32 3HB GLU 32 -15.370 5.412 -10.524 274 HG2 GLU 32 2HG GLU 32 -13.318 6.750 -10.359 275 HG3 GLU 32 3HG GLU 32 -13.973 7.874 -11.548 276 H GLU 33 H GLU 33 -12.408 6.802 -12.728 277 HA GLU 33 HA GLU 33 -13.392 8.380 -14.868 278 HB2 GLU 33 2HB GLU 33 -11.498 8.837 -13.095 279 HB3 GLU 33 3HB GLU 33 -10.463 8.126 -14.326 280 HG2 GLU 33 2HG GLU 33 -10.396 10.465 -14.634 281 HG3 GLU 33 3HG GLU 33 -11.381 9.807 -15.939 282 H SER 34 H SER 34 -11.370 5.517 -14.692 283 HA SER 34 HA SER 34 -10.428 5.536 -17.346 284 HB2 SER 34 2HB SER 34 -9.442 4.123 -15.585 285 HB3 SER 34 3HB SER 34 -10.921 3.164 -15.527 286 HG SER 34 HG SER 34 -10.222 2.086 -17.178 287 H GLU 35 H GLU 35 -13.268 4.011 -15.865 288 HA GLU 35 HA GLU 35 -14.182 3.002 -18.420 289 HB2 GLU 35 2HB GLU 35 -15.175 2.831 -15.597 290 HB3 GLU 35 3HB GLU 35 -16.248 2.422 -16.929 291 HG2 GLU 35 2HG GLU 35 -13.549 1.173 -16.808 292 HG3 GLU 35 3HG GLU 35 -14.823 0.585 -15.741 293 H GLY 36 H GLY 36 -14.275 5.950 -16.910 294 HA2 GLY 36 2HA GLY 36 -15.293 7.871 -17.807 295 HA3 GLY 36 3HA GLY 36 -16.435 6.842 -18.658 296 H ILE 37 H ILE 37 -17.411 5.307 -16.564 297 HA ILE 37 HA ILE 37 -18.479 7.235 -14.633 298 HB ILE 37 HB ILE 37 -20.762 6.162 -14.958 299 HG12 ILE 37 2HG1 ILE 37 -20.012 5.581 -17.769 300 HG13 ILE 37 3HG1 ILE 37 -19.488 4.412 -16.562 301 HG21 ILE 37 1HG2 ILE 37 -21.317 8.011 -16.080 302 HG22 ILE 37 2HG2 ILE 37 -19.592 8.377 -16.091 303 HG23 ILE 37 3HG2 ILE 37 -20.330 7.564 -17.472 304 HD11 ILE 37 3HD1 ILE 37 -21.492 3.499 -16.958 305 HD12 ILE 37 1HD1 ILE 37 -22.065 4.739 -15.843 306 HD13 ILE 37 2HD1 ILE 37 -22.172 5.001 -17.584 307 HA PRO 38 HA PRO 38 -17.999 4.002 -11.702 308 HB2 PRO 38 2HB PRO 38 -20.021 4.549 -9.975 309 HB3 PRO 38 3HB PRO 38 -18.562 5.540 -10.091 310 HG2 PRO 38 2HG PRO 38 -21.266 6.002 -11.289 311 HG3 PRO 38 3HG PRO 38 -20.184 7.158 -10.491 312 HD2 PRO 38 2HD PRO 38 -20.393 6.980 -13.184 313 HD3 PRO 38 3HD PRO 38 -18.880 7.430 -12.372 314 H GLY 39 H GLY 39 -18.624 1.923 -11.414 315 HA2 GLY 39 2HA GLY 39 -20.458 0.687 -13.066 316 HA3 GLY 39 3HA GLY 39 -19.875 0.001 -11.557 317 H ASN 40 H ASN 40 -20.950 1.740 -9.708 318 HA ASN 40 HA ASN 40 -23.607 2.462 -10.003 319 HB2 ASN 40 2HB ASN 40 -23.282 -0.375 -9.932 320 HB3 ASN 40 3HB ASN 40 -24.079 0.128 -8.444 321 HD21 ASN 40 1HD2 ASN 40 -26.089 1.145 -8.555 322 HD22 ASN 40 2HD2 ASN 40 -27.081 1.048 -9.966 323 H MET 41 H MET 41 -22.123 0.377 -7.523 324 HA MET 41 HA MET 41 -22.557 2.533 -5.575 325 HB2 MET 41 2HB MET 41 -22.403 -0.451 -5.349 326 HB3 MET 41 3HB MET 41 -22.056 0.550 -3.945 327 HG2 MET 41 2HG MET 41 -24.330 1.671 -4.520 328 HG3 MET 41 3HG MET 41 -24.618 0.185 -5.423 329 HE1 MET 41 3HE MET 41 -25.897 1.760 -3.068 330 HE2 MET 41 1HE MET 41 -26.865 0.307 -2.813 331 HE3 MET 41 2HE MET 41 -25.896 0.963 -1.494 332 H ILE 42 H ILE 42 -20.138 0.237 -6.745 333 HA ILE 42 HA ILE 42 -17.875 0.125 -6.486 334 HB ILE 42 HB ILE 42 -17.971 3.122 -6.195 335 HG12 ILE 42 2HG1 ILE 42 -19.406 2.515 -8.070 336 HG13 ILE 42 3HG1 ILE 42 -17.908 3.223 -8.665 337 HG21 ILE 42 1HG2 ILE 42 -15.762 2.815 -6.142 338 HG22 ILE 42 2HG2 ILE 42 -15.902 1.132 -6.647 339 HG23 ILE 42 3HG2 ILE 42 -15.890 2.416 -7.855 340 HD11 ILE 42 3HD1 ILE 42 -17.509 1.430 -9.888 341 HD12 ILE 42 1HD1 ILE 42 -17.607 0.391 -8.467 342 HD13 ILE 42 2HD1 ILE 42 -19.066 0.775 -9.381 343 H ARG 43 H ARG 43 -18.892 -0.620 -4.198 344 HA ARG 43 HA ARG 43 -17.406 0.878 -2.140 345 HB2 ARG 43 2HB ARG 43 -20.140 -0.162 -2.181 346 HB3 ARG 43 3HB ARG 43 -19.234 -0.653 -0.756 347 HG2 ARG 43 2HG ARG 43 -19.622 1.321 0.156 348 HG3 ARG 43 3HG ARG 43 -18.737 2.098 -1.158 349 HD2 ARG 43 2HD ARG 43 -20.825 2.080 -2.501 350 HD3 ARG 43 3HD ARG 43 -21.678 1.434 -1.099 351 HE ARG 43 HE ARG 43 -20.386 3.760 -0.289 352 HH11 ARG 43 1HH1 ARG 43 -22.908 2.810 -2.493 353 HH12 ARG 43 2HH1 ARG 43 -23.758 4.315 -2.374 354 HH21 ARG 43 1HH2 ARG 43 -21.496 5.746 -0.124 355 HH22 ARG 43 2HH2 ARG 43 -22.954 5.984 -1.027 356 H LEU 44 H LEU 44 -15.669 -0.169 -1.455 357 HA LEU 44 HA LEU 44 -15.612 -3.101 -1.638 358 HB2 LEU 44 2HB LEU 44 -13.171 -2.881 -1.517 359 HB3 LEU 44 3HB LEU 44 -13.863 -2.015 -2.887 360 HG LEU 44 HG LEU 44 -13.334 -0.483 -0.393 361 HD11 LEU 44 1HD1 LEU 44 -11.269 -1.555 -0.443 362 HD12 LEU 44 2HD1 LEU 44 -10.993 -0.078 -1.367 363 HD13 LEU 44 3HD1 LEU 44 -11.232 -1.611 -2.206 364 HD21 LEU 44 3HD2 LEU 44 -14.268 0.181 -2.843 365 HD22 LEU 44 1HD2 LEU 44 -12.544 0.491 -3.053 366 HD23 LEU 44 2HD2 LEU 44 -13.435 1.299 -1.762 367 H VAL 45 H VAL 45 -14.616 -4.307 0.092 368 HA VAL 45 HA VAL 45 -14.881 -2.968 2.706 369 HB VAL 45 HB VAL 45 -15.332 -5.899 2.132 370 HG11 VAL 45 1HG1 VAL 45 -16.086 -6.079 4.372 371 HG12 VAL 45 2HG1 VAL 45 -14.547 -5.218 4.431 372 HG13 VAL 45 3HG1 VAL 45 -16.063 -4.330 4.595 373 HG21 VAL 45 3HG2 VAL 45 -17.118 -3.574 1.967 374 HG22 VAL 45 1HG2 VAL 45 -17.260 -5.172 1.235 375 HG23 VAL 45 2HG2 VAL 45 -17.744 -4.924 2.912 376 H TYR 46 H TYR 46 -13.026 -2.741 3.748 377 HA TYR 46 HA TYR 46 -10.775 -4.485 3.063 378 HB2 TYR 46 2HB TYR 46 -10.893 -1.768 3.339 379 HB3 TYR 46 3HB TYR 46 -10.295 -2.254 4.921 380 HD1 TYR 46 HD1 TYR 46 -8.600 -4.554 4.273 381 HD2 TYR 46 HD2 TYR 46 -9.068 -0.852 2.229 382 HE1 TYR 46 HE1 TYR 46 -6.333 -4.786 3.348 383 HE2 TYR 46 HE2 TYR 46 -6.802 -1.074 1.297 384 HH TYR 46 HH TYR 46 -5.211 -3.110 0.790 385 H GLN 47 H GLN 47 -10.426 -6.184 4.317 386 HA GLN 47 HA GLN 47 -10.348 -7.572 6.118 387 HB2 GLN 47 2HB GLN 47 -9.050 -5.258 6.822 388 HB3 GLN 47 3HB GLN 47 -10.205 -5.446 8.135 389 HG2 GLN 47 2HG GLN 47 -8.323 -6.554 8.900 390 HG3 GLN 47 3HG GLN 47 -9.343 -7.854 8.286 391 HE21 GLN 47 1HE2 GLN 47 -8.691 -9.023 6.532 392 HE22 GLN 47 2HE2 GLN 47 -7.126 -8.871 5.815 393 H GLY 48 H GLY 48 -12.941 -6.700 5.251 394 HA2 GLY 48 2HA GLY 48 -15.085 -7.217 5.977 395 HA3 GLY 48 3HA GLY 48 -14.443 -7.474 7.593 396 H LYS 49 H LYS 49 -13.341 -4.543 6.499 397 HA LYS 49 HA LYS 49 -15.464 -3.137 7.968 398 HB2 LYS 49 2HB LYS 49 -12.627 -2.999 8.080 399 HB3 LYS 49 3HB LYS 49 -13.206 -1.459 7.458 400 HG2 LYS 49 2HG LYS 49 -13.416 -0.922 9.617 401 HG3 LYS 49 3HG LYS 49 -14.910 -1.858 9.529 402 HD2 LYS 49 2HD LYS 49 -12.290 -3.165 10.186 403 HD3 LYS 49 3HD LYS 49 -13.256 -2.372 11.433 404 HE2 LYS 49 2HE LYS 49 -14.428 -4.438 9.596 405 HE3 LYS 49 3HE LYS 49 -13.588 -4.888 11.079 406 HZ1 LYS 49 3HZ LYS 49 -15.288 -2.986 11.935 407 HZ2 LYS 49 1HZ LYS 49 -15.590 -4.649 12.009 408 HZ3 LYS 49 2HZ LYS 49 -16.206 -3.734 10.727 409 H GLN 50 H GLN 50 -16.167 -1.056 7.192 410 HA GLN 50 HA GLN 50 -15.960 -0.820 4.263 411 HB2 GLN 50 2HB GLN 50 -18.239 0.219 5.939 412 HB3 GLN 50 3HB GLN 50 -18.187 0.008 4.194 413 HG2 GLN 50 2HG GLN 50 -19.234 -1.916 4.524 414 HG3 GLN 50 3HG GLN 50 -17.706 -2.527 5.156 415 HE21 GLN 50 1HE2 GLN 50 -18.115 -3.689 6.892 416 HE22 GLN 50 2HE2 GLN 50 -19.170 -3.248 8.186 417 H LEU 51 H LEU 51 -16.220 1.396 3.409 418 HA LEU 51 HA LEU 51 -15.543 3.560 3.252 419 HB2 LEU 51 2HB LEU 51 -15.820 3.805 6.225 420 HB3 LEU 51 3HB LEU 51 -16.084 5.030 4.986 421 HG LEU 51 HG LEU 51 -17.874 2.646 5.452 422 HD11 LEU 51 1HD1 LEU 51 -19.254 4.978 6.043 423 HD12 LEU 51 2HD1 LEU 51 -17.682 5.189 6.814 424 HD13 LEU 51 3HD1 LEU 51 -18.667 3.776 7.193 425 HD21 LEU 51 3HD2 LEU 51 -18.357 5.132 3.819 426 HD22 LEU 51 1HD2 LEU 51 -19.383 3.702 3.933 427 HD23 LEU 51 2HD2 LEU 51 -17.810 3.597 3.142 428 H GLU 52 H GLU 52 -13.439 3.458 2.670 429 HA GLU 52 HA GLU 52 -11.453 3.450 4.847 430 HB2 GLU 52 2HB GLU 52 -11.021 2.404 2.045 431 HB3 GLU 52 3HB GLU 52 -9.889 2.323 3.387 432 HG2 GLU 52 2HG GLU 52 -10.713 0.357 3.953 433 HG3 GLU 52 3HG GLU 52 -12.283 1.104 4.247 434 H ASP 53 H ASP 53 -12.911 5.322 2.595 435 HA ASP 53 HA ASP 53 -10.912 6.687 1.248 436 HB2 ASP 53 2HB ASP 53 -13.643 6.955 1.514 437 HB3 ASP 53 3HB ASP 53 -13.037 8.441 2.239 438 H GLU 54 H GLU 54 -12.123 7.163 4.534 439 HA GLU 54 HA GLU 54 -10.605 9.495 5.077 440 HB2 GLU 54 2HB GLU 54 -12.542 7.957 6.415 441 HB3 GLU 54 3HB GLU 54 -11.122 7.941 7.451 442 HG2 GLU 54 2HG GLU 54 -12.089 10.521 6.313 443 HG3 GLU 54 3HG GLU 54 -12.909 9.810 7.702 444 H LYS 55 H LYS 55 -9.828 6.152 4.976 445 HA LYS 55 HA LYS 55 -7.374 6.536 6.524 446 HB2 LYS 55 2HB LYS 55 -8.880 4.135 5.547 447 HB3 LYS 55 3HB LYS 55 -7.180 3.987 5.972 448 HG2 LYS 55 2HG LYS 55 -8.287 3.386 7.918 449 HG3 LYS 55 3HG LYS 55 -7.849 5.073 8.199 450 HD2 LYS 55 2HD LYS 55 -9.993 5.740 8.260 451 HD3 LYS 55 3HD LYS 55 -10.449 4.710 6.900 452 HE2 LYS 55 2HE LYS 55 -11.648 3.858 8.725 453 HE3 LYS 55 3HE LYS 55 -10.279 2.763 8.539 454 HZ1 LYS 55 3HZ LYS 55 -9.153 3.882 10.333 455 HZ2 LYS 55 1HZ LYS 55 -10.680 3.380 10.859 456 HZ3 LYS 55 2HZ LYS 55 -10.409 5.006 10.482 457 H ARG 56 H ARG 56 -7.528 7.900 4.069 458 HA ARG 56 HA ARG 56 -6.519 6.687 1.825 459 HB2 ARG 56 2HB ARG 56 -5.240 8.999 1.597 460 HB3 ARG 56 3HB ARG 56 -6.988 8.892 1.431 461 HG2 ARG 56 2HG ARG 56 -6.081 9.313 4.178 462 HG3 ARG 56 3HG ARG 56 -5.660 10.618 3.066 463 HD2 ARG 56 2HD ARG 56 -8.233 10.147 2.358 464 HD3 ARG 56 3HD ARG 56 -8.285 9.757 4.077 465 HE ARG 56 HE ARG 56 -7.980 12.356 2.901 466 HH11 ARG 56 1HH1 ARG 56 -7.336 10.406 5.713 467 HH12 ARG 56 2HH1 ARG 56 -7.245 11.760 6.791 468 HH21 ARG 56 1HH2 ARG 56 -7.863 14.145 4.311 469 HH22 ARG 56 2HH2 ARG 56 -7.545 13.886 5.993 470 H LEU 57 H LEU 57 -4.316 8.669 3.765 471 HA LEU 57 HA LEU 57 -2.015 7.290 2.924 472 HB2 LEU 57 2HB LEU 57 -2.289 9.644 3.962 473 HB3 LEU 57 3HB LEU 57 -2.149 8.803 5.504 474 HG LEU 57 HG LEU 57 -0.048 8.537 3.375 475 HD11 LEU 57 1HD1 LEU 57 0.996 10.462 3.958 476 HD12 LEU 57 2HD1 LEU 57 0.356 10.446 5.601 477 HD13 LEU 57 3HD1 LEU 57 -0.666 10.970 4.262 478 HD21 LEU 57 3HD2 LEU 57 0.544 6.995 4.908 479 HD22 LEU 57 1HD2 LEU 57 -0.400 7.750 6.192 480 HD23 LEU 57 2HD2 LEU 57 1.187 8.394 5.768 481 H LYS 58 H LYS 58 -4.108 6.901 5.716 482 HA LYS 58 HA LYS 58 -2.500 5.240 7.279 483 HB2 LYS 58 2HB LYS 58 -5.222 6.104 7.255 484 HB3 LYS 58 3HB LYS 58 -5.197 4.364 7.511 485 HG2 LYS 58 2HG LYS 58 -3.200 5.594 9.146 486 HG3 LYS 58 3HG LYS 58 -4.751 6.398 9.394 487 HD2 LYS 58 2HD LYS 58 -5.666 4.596 10.389 488 HD3 LYS 58 3HD LYS 58 -4.878 3.463 9.288 489 HE2 LYS 58 2HE LYS 58 -2.722 4.161 10.596 490 HE3 LYS 58 3HE LYS 58 -3.874 4.652 11.837 491 HZ1 LYS 58 3HZ LYS 58 -3.390 2.473 12.384 492 HZ2 LYS 58 1HZ LYS 58 -3.345 1.954 10.774 493 HZ3 LYS 58 2HZ LYS 58 -4.828 2.308 11.507 494 H ASP 59 H ASP 59 -4.260 4.593 4.367 495 HA ASP 59 HA ASP 59 -4.168 1.721 4.668 496 HB2 ASP 59 2HB ASP 59 -5.268 3.638 2.695 497 HB3 ASP 59 3HB ASP 59 -4.786 2.066 2.063 498 H TYR 60 H TYR 60 -2.058 4.155 3.601 499 HA TYR 60 HA TYR 60 -0.624 2.623 1.654 500 HB2 TYR 60 2HB TYR 60 -0.635 5.091 1.639 501 HB3 TYR 60 3HB TYR 60 0.230 5.097 3.172 502 HD1 TYR 60 HD2 TYR 60 0.605 3.458 -0.174 503 HD2 TYR 60 HD1 TYR 60 2.476 5.563 3.015 504 HE1 TYR 60 HE2 TYR 60 2.743 3.388 -1.389 505 HE2 TYR 60 HE1 TYR 60 4.618 5.499 1.809 506 HH TYR 60 HH TYR 60 4.955 4.971 -1.312 507 H GLN 61 H GLN 61 -0.624 2.812 5.078 508 HA GLN 61 HA GLN 61 2.065 1.875 5.460 509 HB2 GLN 61 2HB GLN 61 0.255 3.123 7.073 510 HB3 GLN 61 3HB GLN 61 0.133 1.464 7.643 511 HG2 GLN 61 2HG GLN 61 2.364 1.400 8.312 512 HG3 GLN 61 3HG GLN 61 2.790 2.806 7.337 513 HE21 GLN 61 1HE2 GLN 61 2.755 1.969 10.337 514 HE22 GLN 61 2HE2 GLN 61 2.161 3.392 11.115 515 H MET 62 H MET 62 -0.649 0.409 4.305 516 HA MET 62 HA MET 62 -0.346 -2.140 5.633 517 HB2 MET 62 2HB MET 62 -1.963 -1.595 3.149 518 HB3 MET 62 3HB MET 62 -2.195 -2.873 4.334 519 HG2 MET 62 2HG MET 62 -2.598 0.065 4.844 520 HG3 MET 62 3HG MET 62 -3.877 -1.101 4.510 521 HE1 MET 62 3HE MET 62 -5.268 -1.089 6.074 522 HE2 MET 62 1HE MET 62 -5.022 -2.567 7.005 523 HE3 MET 62 2HE MET 62 -5.057 -1.006 7.824 524 H SER 63 H SER 63 -0.308 -1.296 2.168 525 HA SER 63 HA SER 63 0.886 -2.126 0.417 526 HB2 SER 63 2HB SER 63 3.074 -2.679 2.426 527 HB3 SER 63 3HB SER 63 3.250 -2.349 0.702 528 HG SER 63 HG SER 63 3.362 -0.609 2.625 529 H ALA 64 H ALA 64 -0.719 -3.949 2.160 530 HA ALA 64 HA ALA 64 -0.226 -6.353 0.814 531 HB1 ALA 64 1HB ALA 64 1.721 -6.723 2.063 532 HB2 ALA 64 2HB ALA 64 0.973 -6.164 3.559 533 HB3 ALA 64 3HB ALA 64 0.490 -7.707 2.855 534 H GLY 65 H GLY 65 -2.473 -4.827 1.332 535 HA2 GLY 65 2HA GLY 65 -3.999 -6.563 3.175 536 HA3 GLY 65 3HA GLY 65 -4.351 -4.856 2.945 537 H ALA 66 H ALA 66 -5.406 -7.851 2.209 538 HA ALA 66 HA ALA 66 -6.035 -7.735 -0.526 539 HB1 ALA 66 1HB ALA 66 -7.603 -9.507 -0.091 540 HB2 ALA 66 2HB ALA 66 -6.147 -9.779 0.867 541 HB3 ALA 66 3HB ALA 66 -7.600 -9.138 1.634 542 H THR 67 H THR 67 -7.650 -6.806 -1.656 543 HA THR 67 HA THR 67 -9.693 -5.315 -0.141 544 HB THR 67 HB THR 67 -9.361 -4.097 -2.681 545 HG1 THR 67 HG1 THR 67 -6.939 -4.661 -1.312 546 HG21 THR 67 3HG2 THR 67 -10.035 -3.200 -0.342 547 HG22 THR 67 1HG2 THR 67 -9.152 -2.141 -1.440 548 HG23 THR 67 2HG2 THR 67 -8.304 -2.950 -0.122 549 H PHE 68 H PHE 68 -11.777 -5.416 -0.858 550 HA PHE 68 HA PHE 68 -12.293 -6.962 -3.306 551 HB2 PHE 68 2HB PHE 68 -12.755 -8.555 -1.647 552 HB3 PHE 68 3HB PHE 68 -13.451 -7.356 -0.561 553 HD1 PHE 68 HD1 PHE 68 -14.056 -8.698 -3.993 554 HD2 PHE 68 HD2 PHE 68 -15.723 -7.415 -0.292 555 HE1 PHE 68 HE1 PHE 68 -16.305 -9.275 -4.809 556 HE2 PHE 68 HE2 PHE 68 -17.973 -7.991 -1.102 557 HZ PHE 68 HZ PHE 68 -18.267 -8.924 -3.362 558 H HIS 69 H HIS 69 -13.291 -5.668 -4.691 559 HA HIS 69 HA HIS 69 -14.928 -3.462 -3.721 560 HB2 HIS 69 2HB HIS 69 -13.983 -4.205 -6.495 561 HB3 HIS 69 3HB HIS 69 -14.989 -2.804 -6.138 562 HD1 HIS 69 HD1 HIS 69 -13.449 -0.888 -6.513 563 HD2 HIS 69 HD2 HIS 69 -11.701 -3.875 -4.215 564 HE1 HIS 69 HE1 HIS 69 -11.236 0.046 -5.768 565 H MET 70 H MET 70 -17.098 -3.192 -4.177 566 HA MET 70 HA MET 70 -18.474 -5.483 -5.410 567 HB2 MET 70 2HB MET 70 -18.787 -5.708 -3.037 568 HB3 MET 70 3HB MET 70 -19.231 -4.014 -2.883 569 HG2 MET 70 2HG MET 70 -21.355 -4.399 -3.435 570 HG3 MET 70 3HG MET 70 -20.915 -5.490 -4.746 571 HE1 MET 70 3HE MET 70 -20.763 -8.400 -4.247 572 HE2 MET 70 1HE MET 70 -22.392 -8.544 -3.585 573 HE3 MET 70 2HE MET 70 -22.049 -7.342 -4.830 574 H VAL 71 H VAL 71 -19.930 -4.975 -6.928 575 HA VAL 71 HA VAL 71 -20.853 -2.181 -7.093 576 HB VAL 71 HB VAL 71 -19.227 -2.429 -8.829 577 HG11 VAL 71 1HG1 VAL 71 -20.265 -4.405 -10.540 578 HG12 VAL 71 2HG1 VAL 71 -18.746 -4.439 -9.641 579 HG13 VAL 71 3HG1 VAL 71 -20.211 -5.116 -8.927 580 HG21 VAL 71 3HG2 VAL 71 -20.518 -1.892 -10.757 581 HG22 VAL 71 1HG2 VAL 71 -21.910 -2.789 -10.148 582 HG23 VAL 71 2HG2 VAL 71 -21.407 -1.296 -9.355 583 H VAL 72 H VAL 72 -22.958 -2.198 -6.653 584 HA VAL 72 HA VAL 72 -24.597 -4.494 -7.389 585 HB VAL 72 HB VAL 72 -25.730 -2.080 -6.046 586 HG11 VAL 72 1HG1 VAL 72 -27.452 -3.471 -5.878 587 HG12 VAL 72 2HG1 VAL 72 -26.497 -4.795 -6.547 588 HG13 VAL 72 3HG1 VAL 72 -26.485 -4.488 -4.810 589 HG21 VAL 72 3HG2 VAL 72 -24.997 -2.987 -3.854 590 HG22 VAL 72 1HG2 VAL 72 -23.954 -4.120 -4.713 591 HG23 VAL 72 2HG2 VAL 72 -23.667 -2.385 -4.842 592 H ALA 73 H ALA 73 -25.188 -4.461 -9.477 593 HA ALA 73 HA ALA 73 -26.239 -1.942 -10.584 594 HB1 ALA 73 1HB ALA 73 -25.764 -2.866 -12.795 595 HB2 ALA 73 2HB ALA 73 -24.312 -2.821 -11.794 596 HB3 ALA 73 3HB ALA 73 -25.159 -4.346 -12.050 597 H LEU 74 H LEU 74 -28.355 -2.105 -9.874 598 HA LEU 74 HA LEU 74 -29.904 -4.330 -11.029 599 HB2 LEU 74 2HB LEU 74 -29.885 -3.183 -8.324 600 HB3 LEU 74 3HB LEU 74 -31.488 -3.432 -9.012 601 HG LEU 74 HG LEU 74 -30.742 -5.309 -7.602 602 HD11 LEU 74 1HD1 LEU 74 -30.773 -6.869 -9.937 603 HD12 LEU 74 2HD1 LEU 74 -31.741 -5.436 -10.281 604 HD13 LEU 74 3HD1 LEU 74 -32.133 -6.451 -8.893 605 HD21 LEU 74 3HD2 LEU 74 -28.828 -6.489 -7.930 606 HD22 LEU 74 1HD2 LEU 74 -28.286 -4.931 -8.556 607 HD23 LEU 74 2HD2 LEU 74 -28.811 -6.195 -9.670 608 H ARG 75 H ARG 75 -30.176 -0.978 -9.852 609 HA ARG 75 HA ARG 75 -32.572 -0.449 -11.298 610 HB2 ARG 75 2HB ARG 75 -30.557 1.443 -10.072 611 HB3 ARG 75 3HB ARG 75 -32.132 1.917 -10.695 612 HG2 ARG 75 2HG ARG 75 -33.266 0.975 -8.944 613 HG3 ARG 75 3HG ARG 75 -31.998 -0.209 -8.619 614 HD2 ARG 75 2HD ARG 75 -30.584 1.509 -7.676 615 HD3 ARG 75 3HD ARG 75 -31.758 2.752 -8.103 616 HE ARG 75 HE ARG 75 -32.951 0.793 -6.447 617 HH11 ARG 75 1HH1 ARG 75 -30.737 3.478 -6.359 618 HH12 ARG 75 2HH1 ARG 75 -31.069 3.865 -4.703 619 HH21 ARG 75 1HH2 ARG 75 -33.397 1.293 -4.267 620 HH22 ARG 75 2HH2 ARG 75 -32.581 2.622 -3.514 621 H ALA 76 H ALA 76 -32.386 1.798 -12.661 622 HA ALA 76 HA ALA 76 -30.851 1.030 -15.003 623 HB1 ALA 76 1HB ALA 76 -32.566 3.476 -14.853 624 HB2 ALA 76 2HB ALA 76 -32.224 2.432 -16.233 625 HB3 ALA 76 3HB ALA 76 -33.299 1.874 -14.951 626 H GLY 77 H GLY 77 -30.271 3.375 -16.231 627 HA2 GLY 77 2HA GLY 77 -29.122 5.469 -15.871 628 HA3 GLY 77 3HA GLY 77 -28.524 4.824 -14.350 629 H CYS 78 H CYS 78 -28.242 4.612 -17.854 630 HA CYS 78 HA CYS 78 -25.920 2.916 -17.744 631 HB2 CYS 78 2HB CYS 78 -27.173 4.458 -20.024 632 HB3 CYS 78 3HB CYS 78 -25.817 3.352 -20.202 633 HG CYS 78 HG CYS 78 -28.078 2.045 -21.134 Start of MODEL 11 1 H MET 1 H MET 1 1.643 -0.494 0.557 2 HA MET 1 HA MET 1 1.981 0.476 -1.931 3 HB2 MET 1 2HB MET 1 3.672 -0.673 -0.318 4 HB3 MET 1 3HB MET 1 3.322 -2.121 -1.253 5 HG2 MET 1 2HG MET 1 4.762 -1.487 -2.798 6 HG3 MET 1 3HG MET 1 3.840 -0.010 -3.070 7 HE1 MET 1 3HE MET 1 7.950 -0.413 -1.542 8 HE2 MET 1 1HE MET 1 6.871 -1.616 -2.250 9 HE3 MET 1 2HE MET 1 7.389 -0.227 -3.205 10 H LEU 2 H LEU 2 1.583 -3.037 -1.451 11 HA LEU 2 HA LEU 2 0.369 -3.172 -4.126 12 HB2 LEU 2 2HB LEU 2 2.353 -4.506 -3.940 13 HB3 LEU 2 3HB LEU 2 1.761 -5.260 -2.461 14 HG LEU 2 HG LEU 2 0.092 -5.632 -4.871 15 HD11 LEU 2 1HD1 LEU 2 2.925 -6.278 -4.843 16 HD12 LEU 2 2HD1 LEU 2 1.769 -6.303 -6.175 17 HD13 LEU 2 3HD1 LEU 2 1.904 -7.693 -5.098 18 HD21 LEU 2 3HD2 LEU 2 -0.480 -6.644 -2.728 19 HD22 LEU 2 1HD2 LEU 2 1.078 -7.470 -2.692 20 HD23 LEU 2 2HD2 LEU 2 -0.109 -7.881 -3.930 21 H LEU 3 H LEU 3 -1.732 -3.572 -4.281 22 HA LEU 3 HA LEU 3 -3.062 -5.130 -2.188 23 HB2 LEU 3 2HB LEU 3 -4.780 -3.586 -1.846 24 HB3 LEU 3 3HB LEU 3 -3.300 -2.629 -1.814 25 HG LEU 3 HG LEU 3 -5.104 -2.845 -4.220 26 HD11 LEU 3 1HD1 LEU 3 -5.440 -0.325 -3.348 27 HD12 LEU 3 2HD1 LEU 3 -5.264 -1.161 -1.806 28 HD13 LEU 3 3HD1 LEU 3 -6.524 -1.654 -2.937 29 HD21 LEU 3 3HD2 LEU 3 -2.547 -1.527 -3.622 30 HD22 LEU 3 1HD2 LEU 3 -3.749 -0.507 -4.413 31 HD23 LEU 3 2HD2 LEU 3 -3.242 -2.018 -5.168 32 H LYS 4 H LYS 4 -4.923 -6.234 -2.859 33 HA LYS 4 HA LYS 4 -5.223 -6.409 -5.783 34 HB2 LYS 4 2HB LYS 4 -4.461 -8.497 -4.916 35 HB3 LYS 4 3HB LYS 4 -5.634 -8.457 -3.607 36 HG2 LYS 4 2HG LYS 4 -6.953 -8.328 -6.163 37 HG3 LYS 4 3HG LYS 4 -5.889 -9.733 -6.068 38 HD2 LYS 4 2HD LYS 4 -7.769 -9.070 -3.828 39 HD3 LYS 4 3HD LYS 4 -8.328 -9.961 -5.246 40 HE2 LYS 4 2HE LYS 4 -6.213 -11.437 -4.756 41 HE3 LYS 4 3HE LYS 4 -6.381 -10.768 -3.134 42 HZ1 LYS 4 3HZ LYS 4 -8.426 -11.773 -2.840 43 HZ2 LYS 4 1HZ LYS 4 -7.572 -12.953 -3.700 44 HZ3 LYS 4 2HZ LYS 4 -8.698 -11.976 -4.497 45 H VAL 5 H VAL 5 -6.957 -5.356 -6.486 46 HA VAL 5 HA VAL 5 -9.341 -5.218 -4.775 47 HB VAL 5 HB VAL 5 -10.093 -3.401 -6.254 48 HG11 VAL 5 1HG1 VAL 5 -8.367 -3.204 -4.253 49 HG12 VAL 5 2HG1 VAL 5 -7.321 -2.609 -5.544 50 HG13 VAL 5 3HG1 VAL 5 -8.853 -1.802 -5.205 51 HG21 VAL 5 3HG2 VAL 5 -7.793 -2.661 -7.633 52 HG22 VAL 5 1HG2 VAL 5 -7.943 -4.397 -7.907 53 HG23 VAL 5 2HG2 VAL 5 -9.276 -3.319 -8.324 54 H LYS 6 H LYS 6 -11.121 -6.319 -5.270 55 HA LYS 6 HA LYS 6 -11.429 -7.343 -8.014 56 HB2 LYS 6 2HB LYS 6 -12.455 -9.393 -7.015 57 HB3 LYS 6 3HB LYS 6 -10.738 -9.213 -6.681 58 HG2 LYS 6 2HG LYS 6 -11.930 -7.961 -4.538 59 HG3 LYS 6 3HG LYS 6 -12.991 -9.336 -4.854 60 HD2 LYS 6 2HD LYS 6 -10.862 -10.742 -4.932 61 HD3 LYS 6 3HD LYS 6 -10.052 -9.345 -4.218 62 HE2 LYS 6 2HE LYS 6 -10.880 -9.788 -2.195 63 HE3 LYS 6 3HE LYS 6 -12.510 -10.007 -2.829 64 HZ1 LYS 6 3HZ LYS 6 -10.957 -12.206 -3.599 65 HZ2 LYS 6 1HZ LYS 6 -12.288 -12.176 -2.555 66 HZ3 LYS 6 2HZ LYS 6 -10.727 -11.966 -1.940 67 H THR 7 H THR 7 -13.269 -6.745 -8.937 68 HA THR 7 HA THR 7 -15.331 -5.471 -7.343 69 HB THR 7 HB THR 7 -15.991 -5.795 -10.153 70 HG1 THR 7 HG1 THR 7 -13.718 -4.187 -9.774 71 HG21 THR 7 3HG2 THR 7 -17.092 -4.032 -9.218 72 HG22 THR 7 1HG2 THR 7 -15.681 -3.164 -9.823 73 HG23 THR 7 2HG2 THR 7 -15.765 -3.639 -8.126 74 H VAL 8 H VAL 8 -17.662 -5.963 -7.944 75 HA VAL 8 HA VAL 8 -18.234 -8.651 -7.289 76 HB VAL 8 HB VAL 8 -19.716 -6.721 -6.749 77 HG11 VAL 8 1HG1 VAL 8 -21.144 -5.753 -8.382 78 HG12 VAL 8 2HG1 VAL 8 -19.505 -5.682 -9.031 79 HG13 VAL 8 3HG1 VAL 8 -20.632 -6.909 -9.611 80 HG21 VAL 8 3HG2 VAL 8 -20.389 -9.242 -6.981 81 HG22 VAL 8 1HG2 VAL 8 -21.621 -8.009 -6.716 82 HG23 VAL 8 2HG2 VAL 8 -21.349 -8.649 -8.336 83 H SER 9 H SER 9 -17.446 -7.210 -10.234 84 HA SER 9 HA SER 9 -18.956 -9.076 -11.873 85 HB2 SER 9 2HB SER 9 -17.372 -6.622 -12.346 86 HB3 SER 9 3HB SER 9 -17.319 -7.825 -13.634 87 HG SER 9 HG SER 9 -19.106 -6.780 -14.154 88 H ASN 10 H ASN 10 -16.536 -9.648 -9.981 89 HA ASN 10 HA ASN 10 -14.916 -11.245 -9.891 90 HB2 ASN 10 2HB ASN 10 -16.704 -12.212 -11.770 91 HB3 ASN 10 3HB ASN 10 -15.160 -12.275 -12.613 92 HD21 ASN 10 1HD2 ASN 10 -14.716 -14.387 -12.590 93 HD22 ASN 10 2HD2 ASN 10 -14.568 -15.351 -11.164 94 H LYS 11 H LYS 11 -14.343 -8.594 -10.809 95 HA LYS 11 HA LYS 11 -12.164 -9.062 -12.729 96 HB2 LYS 11 2HB LYS 11 -13.665 -6.565 -11.950 97 HB3 LYS 11 3HB LYS 11 -12.170 -6.516 -12.876 98 HG2 LYS 11 2HG LYS 11 -13.281 -8.003 -14.563 99 HG3 LYS 11 3HG LYS 11 -14.789 -7.756 -13.679 100 HD2 LYS 11 2HD LYS 11 -13.487 -5.237 -14.180 101 HD3 LYS 11 3HD LYS 11 -13.702 -6.132 -15.687 102 HE2 LYS 11 2HE LYS 11 -16.111 -6.519 -14.837 103 HE3 LYS 11 3HE LYS 11 -15.772 -5.184 -13.738 104 HZ1 LYS 11 3HZ LYS 11 -15.306 -3.769 -15.614 105 HZ2 LYS 11 1HZ LYS 11 -16.841 -4.455 -15.800 106 HZ3 LYS 11 2HZ LYS 11 -15.536 -5.050 -16.695 107 H VAL 12 H VAL 12 -10.629 -9.866 -11.292 108 HA VAL 12 HA VAL 12 -9.863 -8.214 -9.010 109 HB VAL 12 HB VAL 12 -8.687 -10.855 -9.884 110 HG11 VAL 12 1HG1 VAL 12 -7.125 -10.089 -8.423 111 HG12 VAL 12 2HG1 VAL 12 -8.263 -9.032 -7.586 112 HG13 VAL 12 3HG1 VAL 12 -8.261 -10.765 -7.256 113 HG21 VAL 12 3HG2 VAL 12 -10.564 -11.819 -9.183 114 HG22 VAL 12 1HG2 VAL 12 -10.229 -11.195 -7.568 115 HG23 VAL 12 2HG2 VAL 12 -11.231 -10.265 -8.683 116 H ILE 13 H ILE 13 -8.072 -6.988 -8.925 117 HA ILE 13 HA ILE 13 -6.076 -7.255 -11.064 118 HB ILE 13 HB ILE 13 -7.190 -4.609 -10.127 119 HG12 ILE 13 2HG1 ILE 13 -8.804 -5.839 -11.517 120 HG13 ILE 13 3HG1 ILE 13 -8.173 -4.432 -12.365 121 HG21 ILE 13 1HG2 ILE 13 -5.091 -5.350 -12.150 122 HG22 ILE 13 2HG2 ILE 13 -5.866 -3.767 -12.102 123 HG23 ILE 13 3HG2 ILE 13 -4.917 -4.325 -10.725 124 HD11 ILE 13 3HD1 ILE 13 -7.491 -5.699 -14.038 125 HD12 ILE 13 1HD1 ILE 13 -6.550 -6.713 -12.945 126 HD13 ILE 13 2HD1 ILE 13 -8.247 -7.083 -13.250 127 H GLN 14 H GLN 14 -4.153 -7.578 -10.182 128 HA GLN 14 HA GLN 14 -3.639 -6.570 -7.474 129 HB2 GLN 14 2HB GLN 14 -1.726 -8.187 -7.508 130 HB3 GLN 14 3HB GLN 14 -3.312 -8.934 -7.639 131 HG2 GLN 14 2HG GLN 14 -2.773 -9.893 -9.556 132 HG3 GLN 14 3HG GLN 14 -2.278 -8.350 -10.249 133 HE21 GLN 14 1HE2 GLN 14 -1.264 -11.365 -9.196 134 HE22 GLN 14 2HE2 GLN 14 0.441 -11.084 -9.209 135 H ILE 15 H ILE 15 -2.599 -4.699 -7.384 136 HA ILE 15 HA ILE 15 -0.480 -4.177 -9.366 137 HB ILE 15 HB ILE 15 -0.933 -1.767 -9.083 138 HG12 ILE 15 2HG1 ILE 15 -2.110 -2.287 -6.783 139 HG13 ILE 15 3HG1 ILE 15 -2.617 -0.910 -7.755 140 HG21 ILE 15 1HG2 ILE 15 -3.192 -1.794 -10.249 141 HG22 ILE 15 2HG2 ILE 15 -1.901 -2.736 -10.992 142 HG23 ILE 15 3HG2 ILE 15 -3.152 -3.545 -10.049 143 HD11 ILE 15 3HD1 ILE 15 -4.351 -2.594 -6.719 144 HD12 ILE 15 1HD1 ILE 15 -4.611 -1.857 -8.300 145 HD13 ILE 15 2HD1 ILE 15 -3.989 -3.504 -8.185 146 H THR 16 H THR 16 1.359 -3.005 -8.641 147 HA THR 16 HA THR 16 1.746 -3.078 -5.719 148 HB THR 16 HB THR 16 3.098 -4.821 -6.647 149 HG1 THR 16 HG1 THR 16 4.974 -2.729 -6.394 150 HG21 THR 16 3HG2 THR 16 3.669 -2.795 -8.739 151 HG22 THR 16 1HG2 THR 16 3.415 -4.533 -8.887 152 HG23 THR 16 2HG2 THR 16 4.966 -3.914 -8.322 153 H SER 17 H SER 17 0.820 -0.802 -6.199 154 HA SER 17 HA SER 17 2.924 1.062 -5.864 155 HB2 SER 17 2HB SER 17 3.342 1.149 -8.147 156 HB3 SER 17 3HB SER 17 1.656 0.852 -8.571 157 HG SER 17 HG SER 17 1.224 2.925 -8.374 158 H LEU 18 H LEU 18 1.637 1.472 -4.026 159 HA LEU 18 HA LEU 18 -0.930 2.808 -4.544 160 HB2 LEU 18 2HB LEU 18 0.149 1.206 -2.301 161 HB3 LEU 18 3HB LEU 18 -0.921 2.542 -1.882 162 HG LEU 18 HG LEU 18 -1.616 0.238 -3.703 163 HD11 LEU 18 1HD1 LEU 18 -1.653 -0.730 -1.622 164 HD12 LEU 18 2HD1 LEU 18 -3.293 -0.091 -1.723 165 HD13 LEU 18 3HD1 LEU 18 -2.063 0.778 -0.805 166 HD21 LEU 18 3HD2 LEU 18 -2.842 2.830 -3.222 167 HD22 LEU 18 1HD2 LEU 18 -3.935 1.486 -2.893 168 HD23 LEU 18 2HD2 LEU 18 -3.173 1.634 -4.477 169 H THR 19 H THR 19 -1.415 4.780 -3.475 170 HA THR 19 HA THR 19 0.919 6.480 -3.147 171 HB THR 19 HB THR 19 -1.747 7.657 -2.692 172 HG1 THR 19 HG1 THR 19 -2.444 6.357 -4.312 173 HG21 THR 19 3HG2 THR 19 -0.198 8.718 -4.882 174 HG22 THR 19 1HG2 THR 19 0.810 8.505 -3.452 175 HG23 THR 19 2HG2 THR 19 -0.654 9.484 -3.360 176 H ASP 20 H ASP 20 0.521 8.290 -1.380 177 HA ASP 20 HA ASP 20 -0.193 6.935 1.137 178 HB2 ASP 20 2HB ASP 20 1.929 9.047 1.064 179 HB3 ASP 20 3HB ASP 20 1.704 7.731 2.213 180 H ASP 21 H ASP 21 -1.013 9.341 -0.924 181 HA ASP 21 HA ASP 21 -1.756 11.272 1.143 182 HB2 ASP 21 2HB ASP 21 -1.065 11.453 -1.635 183 HB3 ASP 21 3HB ASP 21 -2.678 12.120 -1.397 184 H ASN 22 H ASN 22 -3.275 9.460 -1.520 185 HA ASN 22 HA ASN 22 -5.843 9.711 -0.096 186 HB2 ASN 22 2HB ASN 22 -5.199 9.707 -3.032 187 HB3 ASN 22 3HB ASN 22 -6.798 9.234 -2.464 188 HD21 ASN 22 1HD2 ASN 22 -7.388 10.905 -0.508 189 HD22 ASN 22 2HD2 ASN 22 -7.380 12.547 -1.046 190 H THR 23 H THR 23 -3.843 7.593 -2.110 191 HA THR 23 HA THR 23 -3.692 5.327 -2.267 192 HB THR 23 HB THR 23 -5.017 5.455 0.446 193 HG1 THR 23 HG1 THR 23 -2.333 4.752 -0.069 194 HG21 THR 23 3HG2 THR 23 -4.055 3.150 -1.190 195 HG22 THR 23 1HG2 THR 23 -5.467 3.270 -0.141 196 HG23 THR 23 2HG2 THR 23 -3.857 3.103 0.562 197 H ILE 24 H ILE 24 -6.698 5.296 -0.411 198 HA ILE 24 HA ILE 24 -7.976 3.617 -2.338 199 HB ILE 24 HB ILE 24 -9.265 5.066 -0.026 200 HG12 ILE 24 2HG1 ILE 24 -8.923 2.508 0.829 201 HG13 ILE 24 3HG1 ILE 24 -7.465 2.726 -0.134 202 HG21 ILE 24 1HG2 ILE 24 -11.137 3.931 -0.475 203 HG22 ILE 24 2HG2 ILE 24 -10.424 3.635 -2.060 204 HG23 ILE 24 3HG2 ILE 24 -10.259 2.432 -0.781 205 HD11 ILE 24 3HD1 ILE 24 -6.524 3.997 1.420 206 HD12 ILE 24 1HD1 ILE 24 -7.975 4.982 1.609 207 HD13 ILE 24 2HD1 ILE 24 -7.819 3.463 2.492 208 H ALA 25 H ALA 25 -8.452 6.982 -1.296 209 HA ALA 25 HA ALA 25 -10.606 7.600 -2.960 210 HB1 ALA 25 1HB ALA 25 -9.137 8.953 -1.087 211 HB2 ALA 25 2HB ALA 25 -8.733 9.805 -2.578 212 HB3 ALA 25 3HB ALA 25 -10.418 9.648 -2.082 213 H GLU 26 H GLU 26 -7.132 7.670 -3.575 214 HA GLU 26 HA GLU 26 -7.299 8.929 -6.113 215 HB2 GLU 26 2HB GLU 26 -5.218 8.937 -4.874 216 HB3 GLU 26 3HB GLU 26 -5.153 7.181 -4.902 217 HG2 GLU 26 2HG GLU 26 -4.058 7.220 -6.818 218 HG3 GLU 26 3HG GLU 26 -5.363 8.130 -7.578 219 H LEU 27 H LEU 27 -7.246 5.558 -5.064 220 HA LEU 27 HA LEU 27 -7.072 4.414 -7.644 221 HB2 LEU 27 2HB LEU 27 -7.293 3.514 -4.953 222 HB3 LEU 27 3HB LEU 27 -8.514 2.686 -5.917 223 HG LEU 27 HG LEU 27 -5.535 2.679 -6.390 224 HD11 LEU 27 1HD1 LEU 27 -5.458 0.776 -5.244 225 HD12 LEU 27 2HD1 LEU 27 -6.876 0.134 -6.073 226 HD13 LEU 27 3HD1 LEU 27 -7.075 1.165 -4.656 227 HD21 LEU 27 3HD2 LEU 27 -6.328 2.537 -8.541 228 HD22 LEU 27 1HD2 LEU 27 -7.839 1.771 -8.050 229 HD23 LEU 27 2HD2 LEU 27 -6.342 0.837 -8.068 230 H LYS 28 H LYS 28 -9.848 5.007 -5.499 231 HA LYS 28 HA LYS 28 -11.804 4.030 -7.287 232 HB2 LYS 28 2HB LYS 28 -13.422 5.121 -5.838 233 HB3 LYS 28 3HB LYS 28 -12.192 4.320 -4.868 234 HG2 LYS 28 2HG LYS 28 -11.059 6.504 -4.586 235 HG3 LYS 28 3HG LYS 28 -12.396 7.267 -5.450 236 HD2 LYS 28 2HD LYS 28 -12.684 5.651 -2.918 237 HD3 LYS 28 3HD LYS 28 -12.603 7.413 -2.982 238 HE2 LYS 28 2HE LYS 28 -14.584 7.276 -4.582 239 HE3 LYS 28 3HE LYS 28 -14.737 5.596 -4.069 240 HZ1 LYS 28 3HZ LYS 28 -16.177 6.906 -2.732 241 HZ2 LYS 28 1HZ LYS 28 -14.953 8.016 -2.367 242 HZ3 LYS 28 2HZ LYS 28 -14.879 6.443 -1.751 243 H GLY 29 H GLY 29 -10.439 7.245 -6.753 244 HA2 GLY 29 2HA GLY 29 -12.231 8.636 -8.456 245 HA3 GLY 29 3HA GLY 29 -10.655 9.208 -7.929 246 H LYS 30 H LYS 30 -9.206 6.949 -9.037 247 HA LYS 30 HA LYS 30 -8.823 7.964 -11.674 248 HB2 LYS 30 2HB LYS 30 -7.608 5.811 -10.010 249 HB3 LYS 30 3HB LYS 30 -7.362 5.742 -11.750 250 HG2 LYS 30 2HG LYS 30 -6.866 8.378 -10.592 251 HG3 LYS 30 3HG LYS 30 -5.799 7.109 -9.985 252 HD2 LYS 30 2HD LYS 30 -4.948 6.645 -12.109 253 HD3 LYS 30 3HD LYS 30 -6.301 7.433 -12.925 254 HE2 LYS 30 2HE LYS 30 -5.281 9.497 -11.491 255 HE3 LYS 30 3HE LYS 30 -3.819 8.571 -11.830 256 HZ1 LYS 30 3HZ LYS 30 -5.338 10.216 -13.573 257 HZ2 LYS 30 1HZ LYS 30 -5.221 8.649 -14.199 258 HZ3 LYS 30 2HZ LYS 30 -3.819 9.515 -13.821 259 H LEU 31 H LEU 31 -10.422 5.147 -10.311 260 HA LEU 31 HA LEU 31 -10.839 3.792 -12.771 261 HB2 LEU 31 2HB LEU 31 -10.999 2.945 -10.317 262 HB3 LEU 31 3HB LEU 31 -12.666 3.508 -10.420 263 HG LEU 31 HG LEU 31 -11.530 1.557 -12.402 264 HD11 LEU 31 1HD1 LEU 31 -11.179 0.348 -10.461 265 HD12 LEU 31 2HD1 LEU 31 -12.814 -0.129 -10.919 266 HD13 LEU 31 3HD1 LEU 31 -12.568 1.062 -9.642 267 HD21 LEU 31 3HD2 LEU 31 -14.268 2.460 -11.575 268 HD22 LEU 31 1HD2 LEU 31 -14.015 0.924 -12.405 269 HD23 LEU 31 2HD2 LEU 31 -13.546 2.435 -13.185 270 H GLU 32 H GLU 32 -12.823 6.008 -10.845 271 HA GLU 32 HA GLU 32 -15.109 5.870 -12.517 272 HB2 GLU 32 2HB GLU 32 -15.837 7.908 -11.327 273 HB3 GLU 32 3HB GLU 32 -15.295 6.648 -10.228 274 HG2 GLU 32 2HG GLU 32 -13.129 7.788 -10.018 275 HG3 GLU 32 3HG GLU 32 -13.721 9.070 -11.071 276 H GLU 33 H GLU 33 -12.304 8.011 -12.412 277 HA GLU 33 HA GLU 33 -13.235 9.834 -14.374 278 HB2 GLU 33 2HB GLU 33 -11.267 10.016 -12.643 279 HB3 GLU 33 3HB GLU 33 -10.318 9.320 -13.949 280 HG2 GLU 33 2HG GLU 33 -10.016 11.573 -14.277 281 HG3 GLU 33 3HG GLU 33 -11.346 11.218 -15.377 282 H SER 34 H SER 34 -11.431 6.828 -14.515 283 HA SER 34 HA SER 34 -10.567 7.009 -17.189 284 HB2 SER 34 2HB SER 34 -9.640 5.380 -15.592 285 HB3 SER 34 3HB SER 34 -11.185 4.531 -15.561 286 HG SER 34 HG SER 34 -9.179 4.230 -17.274 287 H GLU 35 H GLU 35 -13.471 5.573 -15.744 288 HA GLU 35 HA GLU 35 -14.533 4.856 -18.339 289 HB2 GLU 35 2HB GLU 35 -15.462 4.529 -15.507 290 HB3 GLU 35 3HB GLU 35 -16.595 4.308 -16.833 291 HG2 GLU 35 2HG GLU 35 -13.998 2.863 -16.918 292 HG3 GLU 35 3HG GLU 35 -15.259 2.290 -15.828 293 H GLY 36 H GLY 36 -14.355 7.666 -16.590 294 HA2 GLY 36 2HA GLY 36 -15.244 9.728 -17.283 295 HA3 GLY 36 3HA GLY 36 -16.477 8.865 -18.191 296 H ILE 37 H ILE 37 -17.517 7.225 -16.205 297 HA ILE 37 HA ILE 37 -18.409 9.055 -14.097 298 HB ILE 37 HB ILE 37 -20.765 8.167 -14.444 299 HG12 ILE 37 2HG1 ILE 37 -19.885 7.664 -17.274 300 HG13 ILE 37 3HG1 ILE 37 -19.843 6.373 -16.079 301 HG21 ILE 37 1HG2 ILE 37 -20.956 9.719 -16.613 302 HG22 ILE 37 2HG2 ILE 37 -20.694 10.362 -14.992 303 HG23 ILE 37 3HG2 ILE 37 -19.329 10.158 -16.091 304 HD11 ILE 37 3HD1 ILE 37 -22.035 7.314 -17.611 305 HD12 ILE 37 1HD1 ILE 37 -21.979 5.977 -16.463 306 HD13 ILE 37 2HD1 ILE 37 -22.378 7.602 -15.906 307 HA PRO 38 HA PRO 38 -18.084 5.571 -11.445 308 HB2 PRO 38 2HB PRO 38 -20.025 6.110 -9.625 309 HB3 PRO 38 3HB PRO 38 -18.505 7.008 -9.702 310 HG2 PRO 38 2HG PRO 38 -21.197 7.743 -10.786 311 HG3 PRO 38 3HG PRO 38 -20.021 8.757 -9.928 312 HD2 PRO 38 2HD PRO 38 -20.302 8.811 -12.621 313 HD3 PRO 38 3HD PRO 38 -18.744 9.092 -11.817 314 H GLY 39 H GLY 39 -18.829 3.519 -11.344 315 HA2 GLY 39 2HA GLY 39 -20.800 2.561 -13.023 316 HA3 GLY 39 3HA GLY 39 -20.207 1.700 -11.610 317 H ASN 40 H ASN 40 -21.097 3.317 -9.564 318 HA ASN 40 HA ASN 40 -23.716 4.220 -9.682 319 HB2 ASN 40 2HB ASN 40 -23.601 1.407 -9.942 320 HB3 ASN 40 3HB ASN 40 -24.190 1.736 -8.315 321 HD21 ASN 40 1HD2 ASN 40 -26.216 2.486 -8.034 322 HD22 ASN 40 2HD2 ASN 40 -27.332 2.776 -9.320 323 H MET 41 H MET 41 -22.208 1.863 -7.470 324 HA MET 41 HA MET 41 -22.474 3.846 -5.318 325 HB2 MET 41 2HB MET 41 -22.562 0.876 -5.418 326 HB3 MET 41 3HB MET 41 -21.882 1.611 -3.973 327 HG2 MET 41 2HG MET 41 -23.959 2.939 -3.732 328 HG3 MET 41 3HG MET 41 -24.633 2.060 -5.102 329 HE1 MET 41 3HE MET 41 -26.216 2.307 -2.879 330 HE2 MET 41 1HE MET 41 -26.565 0.820 -1.997 331 HE3 MET 41 2HE MET 41 -25.386 1.967 -1.360 332 H ILE 42 H ILE 42 -20.202 1.557 -6.774 333 HA ILE 42 HA ILE 42 -17.937 1.331 -6.612 334 HB ILE 42 HB ILE 42 -17.904 4.314 -6.184 335 HG12 ILE 42 2HG1 ILE 42 -19.429 3.850 -8.024 336 HG13 ILE 42 3HG1 ILE 42 -17.925 4.517 -8.652 337 HG21 ILE 42 1HG2 ILE 42 -15.928 3.512 -7.983 338 HG22 ILE 42 2HG2 ILE 42 -15.708 4.002 -6.304 339 HG23 ILE 42 3HG2 ILE 42 -15.915 2.297 -6.705 340 HD11 ILE 42 3HD1 ILE 42 -19.220 2.140 -9.400 341 HD12 ILE 42 1HD1 ILE 42 -17.673 2.765 -9.970 342 HD13 ILE 42 2HD1 ILE 42 -17.727 1.675 -8.584 343 H ARG 43 H ARG 43 -18.858 0.504 -4.323 344 HA ARG 43 HA ARG 43 -17.163 1.798 -2.290 345 HB2 ARG 43 2HB ARG 43 -19.980 0.831 -2.125 346 HB3 ARG 43 3HB ARG 43 -18.957 0.650 -0.706 347 HG2 ARG 43 2HG ARG 43 -18.454 3.221 -1.321 348 HG3 ARG 43 3HG ARG 43 -20.109 3.070 -1.917 349 HD2 ARG 43 2HD ARG 43 -19.395 2.046 0.800 350 HD3 ARG 43 3HD ARG 43 -19.672 3.770 0.554 351 HE ARG 43 HE ARG 43 -21.814 2.386 -0.576 352 HH11 ARG 43 1HH1 ARG 43 -20.418 2.970 2.559 353 HH12 ARG 43 2HH1 ARG 43 -21.926 2.826 3.401 354 HH21 ARG 43 1HH2 ARG 43 -23.805 2.194 0.521 355 HH22 ARG 43 2HH2 ARG 43 -23.851 2.384 2.241 356 H LEU 44 H LEU 44 -15.613 0.532 -1.517 357 HA LEU 44 HA LEU 44 -15.834 -2.369 -1.934 358 HB2 LEU 44 2HB LEU 44 -13.381 -2.391 -1.672 359 HB3 LEU 44 3HB LEU 44 -13.930 -1.409 -3.028 360 HG LEU 44 HG LEU 44 -13.392 -0.038 -0.444 361 HD11 LEU 44 1HD1 LEU 44 -11.321 -0.851 -0.307 362 HD12 LEU 44 2HD1 LEU 44 -10.977 0.099 -1.752 363 HD13 LEU 44 3HD1 LEU 44 -11.417 -1.602 -1.900 364 HD21 LEU 44 3HD2 LEU 44 -14.093 0.766 -2.969 365 HD22 LEU 44 1HD2 LEU 44 -12.349 1.032 -2.951 366 HD23 LEU 44 2HD2 LEU 44 -13.369 1.791 -1.729 367 H VAL 45 H VAL 45 -15.048 -3.797 -0.270 368 HA VAL 45 HA VAL 45 -15.350 -2.650 2.429 369 HB VAL 45 HB VAL 45 -15.904 -5.501 1.599 370 HG11 VAL 45 1HG1 VAL 45 -15.234 -5.089 3.973 371 HG12 VAL 45 2HG1 VAL 45 -16.660 -4.064 4.137 372 HG13 VAL 45 3HG1 VAL 45 -16.844 -5.781 3.776 373 HG21 VAL 45 3HG2 VAL 45 -17.711 -3.121 1.869 374 HG22 VAL 45 1HG2 VAL 45 -17.588 -4.274 0.540 375 HG23 VAL 45 2HG2 VAL 45 -18.317 -4.764 2.070 376 H TYR 46 H TYR 46 -13.533 -2.584 3.558 377 HA TYR 46 HA TYR 46 -11.363 -4.440 2.887 378 HB2 TYR 46 2HB TYR 46 -11.304 -1.731 3.219 379 HB3 TYR 46 3HB TYR 46 -10.818 -2.284 4.818 380 HD1 TYR 46 HD2 TYR 46 -9.269 -4.702 4.170 381 HD2 TYR 46 HD1 TYR 46 -9.355 -0.908 2.247 382 HE1 TYR 46 HE2 TYR 46 -6.980 -5.073 3.349 383 HE2 TYR 46 HE1 TYR 46 -7.067 -1.268 1.420 384 HH TYR 46 HH TYR 46 -4.986 -2.905 2.418 385 H GLN 47 H GLN 47 -11.183 -6.189 4.107 386 HA GLN 47 HA GLN 47 -11.270 -7.621 5.873 387 HB2 GLN 47 2HB GLN 47 -9.842 -5.423 6.684 388 HB3 GLN 47 3HB GLN 47 -11.059 -5.557 7.947 389 HG2 GLN 47 2HG GLN 47 -10.381 -8.009 8.100 390 HG3 GLN 47 3HG GLN 47 -8.974 -7.552 7.142 391 HE21 GLN 47 1HE2 GLN 47 -9.577 -8.377 10.058 392 HE22 GLN 47 2HE2 GLN 47 -8.638 -7.256 10.978 393 H GLY 48 H GLY 48 -13.762 -6.552 4.934 394 HA2 GLY 48 2HA GLY 48 -15.962 -6.942 5.570 395 HA3 GLY 48 3HA GLY 48 -15.401 -7.267 7.203 396 H LYS 49 H LYS 49 -14.044 -4.409 6.259 397 HA LYS 49 HA LYS 49 -16.127 -2.885 7.661 398 HB2 LYS 49 2HB LYS 49 -13.276 -2.922 7.826 399 HB3 LYS 49 3HB LYS 49 -13.777 -1.328 7.277 400 HG2 LYS 49 2HG LYS 49 -14.161 -0.814 9.395 401 HG3 LYS 49 3HG LYS 49 -15.519 -1.941 9.357 402 HD2 LYS 49 2HD LYS 49 -12.705 -2.828 9.941 403 HD3 LYS 49 3HD LYS 49 -13.801 -2.269 11.207 404 HE2 LYS 49 2HE LYS 49 -14.704 -4.387 9.305 405 HE3 LYS 49 3HE LYS 49 -13.622 -4.816 10.630 406 HZ1 LYS 49 3HZ LYS 49 -16.415 -4.013 10.702 407 HZ2 LYS 49 1HZ LYS 49 -15.439 -3.400 11.941 408 HZ3 LYS 49 2HZ LYS 49 -15.565 -5.071 11.712 409 H GLN 50 H GLN 50 -16.680 -0.758 6.902 410 HA GLN 50 HA GLN 50 -16.393 -0.503 3.982 411 HB2 GLN 50 2HB GLN 50 -18.578 0.739 5.645 412 HB3 GLN 50 3HB GLN 50 -18.531 0.529 3.899 413 HG2 GLN 50 2HG GLN 50 -19.941 -1.161 4.452 414 HG3 GLN 50 3HG GLN 50 -18.403 -2.018 4.549 415 HE21 GLN 50 1HE2 GLN 50 -17.898 -3.005 6.387 416 HE22 GLN 50 2HE2 GLN 50 -18.738 -2.823 7.885 417 H LEU 51 H LEU 51 -16.348 1.693 3.119 418 HA LEU 51 HA LEU 51 -15.482 3.791 2.986 419 HB2 LEU 51 2HB LEU 51 -15.797 4.067 5.952 420 HB3 LEU 51 3HB LEU 51 -15.914 5.310 4.708 421 HG LEU 51 HG LEU 51 -17.937 3.102 5.051 422 HD11 LEU 51 1HD1 LEU 51 -18.447 5.912 5.897 423 HD12 LEU 51 2HD1 LEU 51 -17.586 4.829 6.990 424 HD13 LEU 51 3HD1 LEU 51 -19.207 4.413 6.435 425 HD21 LEU 51 3HD2 LEU 51 -19.267 4.291 3.541 426 HD22 LEU 51 1HD2 LEU 51 -17.652 4.357 2.836 427 HD23 LEU 51 2HD2 LEU 51 -18.296 5.756 3.696 428 H GLU 52 H GLU 52 -13.384 3.621 2.468 429 HA GLU 52 HA GLU 52 -11.459 3.322 4.679 430 HB2 GLU 52 2HB GLU 52 -11.072 2.367 1.838 431 HB3 GLU 52 3HB GLU 52 -9.955 2.151 3.178 432 HG2 GLU 52 2HG GLU 52 -12.736 1.022 3.184 433 HG3 GLU 52 3HG GLU 52 -11.346 0.150 2.541 434 H ASP 53 H ASP 53 -12.696 5.411 2.479 435 HA ASP 53 HA ASP 53 -10.546 6.663 1.257 436 HB2 ASP 53 2HB ASP 53 -13.236 7.124 1.376 437 HB3 ASP 53 3HB ASP 53 -12.608 8.496 2.285 438 H GLU 54 H GLU 54 -11.825 7.079 4.523 439 HA GLU 54 HA GLU 54 -10.177 9.270 5.228 440 HB2 GLU 54 2HB GLU 54 -12.235 7.791 6.436 441 HB3 GLU 54 3HB GLU 54 -10.844 7.611 7.496 442 HG2 GLU 54 2HG GLU 54 -10.618 10.129 7.402 443 HG3 GLU 54 3HG GLU 54 -12.209 10.143 6.644 444 H LYS 55 H LYS 55 -9.593 5.900 4.948 445 HA LYS 55 HA LYS 55 -7.160 6.045 6.567 446 HB2 LYS 55 2HB LYS 55 -8.779 3.801 5.414 447 HB3 LYS 55 3HB LYS 55 -7.100 3.526 5.861 448 HG2 LYS 55 2HG LYS 55 -8.248 2.881 7.756 449 HG3 LYS 55 3HG LYS 55 -7.778 4.540 8.135 450 HD2 LYS 55 2HD LYS 55 -9.906 5.244 8.203 451 HD3 LYS 55 3HD LYS 55 -10.346 4.336 6.755 452 HE2 LYS 55 2HE LYS 55 -10.778 2.384 7.976 453 HE3 LYS 55 3HE LYS 55 -9.904 2.971 9.391 454 HZ1 LYS 55 3HZ LYS 55 -11.693 4.752 9.489 455 HZ2 LYS 55 1HZ LYS 55 -12.146 3.185 9.936 456 HZ3 LYS 55 2HZ LYS 55 -12.572 3.786 8.414 457 H ARG 56 H ARG 56 -7.186 7.557 4.189 458 HA ARG 56 HA ARG 56 -6.186 6.423 1.901 459 HB2 ARG 56 2HB ARG 56 -4.778 8.668 1.838 460 HB3 ARG 56 3HB ARG 56 -6.524 8.670 1.630 461 HG2 ARG 56 2HG ARG 56 -5.660 8.879 4.415 462 HG3 ARG 56 3HG ARG 56 -5.146 10.221 3.391 463 HD2 ARG 56 2HD ARG 56 -7.724 9.930 2.607 464 HD3 ARG 56 3HD ARG 56 -7.834 9.449 4.299 465 HE ARG 56 HE ARG 56 -7.358 12.089 3.277 466 HH11 ARG 56 1HH1 ARG 56 -6.911 9.954 5.991 467 HH12 ARG 56 2HH1 ARG 56 -6.779 11.239 7.146 468 HH21 ARG 56 1HH2 ARG 56 -7.185 13.789 4.788 469 HH22 ARG 56 2HH2 ARG 56 -6.936 13.419 6.461 470 H LEU 57 H LEU 57 -3.920 8.171 3.984 471 HA LEU 57 HA LEU 57 -1.681 6.712 3.119 472 HB2 LEU 57 2HB LEU 57 -1.865 9.016 4.300 473 HB3 LEU 57 3HB LEU 57 -1.777 8.070 5.784 474 HG LEU 57 HG LEU 57 0.327 7.821 3.659 475 HD11 LEU 57 1HD1 LEU 57 1.567 9.589 4.533 476 HD12 LEU 57 2HD1 LEU 57 0.565 9.704 5.978 477 HD13 LEU 57 3HD1 LEU 57 -0.069 10.237 4.422 478 HD21 LEU 57 3HD2 LEU 57 1.081 6.306 5.098 479 HD22 LEU 57 1HD2 LEU 57 -0.160 6.731 6.278 480 HD23 LEU 57 2HD2 LEU 57 1.366 7.616 6.247 481 H LYS 58 H LYS 58 -3.861 6.279 5.836 482 HA LYS 58 HA LYS 58 -2.383 4.448 7.336 483 HB2 LYS 58 2HB LYS 58 -5.057 5.454 7.297 484 HB3 LYS 58 3HB LYS 58 -5.125 3.704 7.460 485 HG2 LYS 58 2HG LYS 58 -3.112 4.759 9.202 486 HG3 LYS 58 3HG LYS 58 -4.640 5.604 9.462 487 HD2 LYS 58 2HD LYS 58 -5.778 3.595 9.958 488 HD3 LYS 58 3HD LYS 58 -4.458 2.604 9.333 489 HE2 LYS 58 2HE LYS 58 -4.527 2.619 11.790 490 HE3 LYS 58 3HE LYS 58 -3.029 3.305 11.162 491 HZ1 LYS 58 3HZ LYS 58 -4.282 4.513 13.047 492 HZ2 LYS 58 1HZ LYS 58 -5.294 5.071 11.810 493 HZ3 LYS 58 2HZ LYS 58 -3.640 5.424 11.774 494 H ASP 59 H ASP 59 -4.082 4.068 4.345 495 HA ASP 59 HA ASP 59 -4.174 1.184 4.479 496 HB2 ASP 59 2HB ASP 59 -5.108 3.277 2.619 497 HB3 ASP 59 3HB ASP 59 -4.636 1.759 1.861 498 H TYR 60 H TYR 60 -1.881 3.539 3.621 499 HA TYR 60 HA TYR 60 -0.462 2.017 1.654 500 HB2 TYR 60 2HB TYR 60 -0.284 4.444 1.681 501 HB3 TYR 60 3HB TYR 60 0.384 4.404 3.309 502 HD1 TYR 60 HD2 TYR 60 1.115 2.719 0.046 503 HD2 TYR 60 HD1 TYR 60 2.639 4.832 3.410 504 HE1 TYR 60 HE2 TYR 60 3.383 2.568 -0.894 505 HE2 TYR 60 HE1 TYR 60 4.911 4.688 2.478 506 HH TYR 60 HH TYR 60 6.184 3.387 0.920 507 H GLN 61 H GLN 61 -0.594 2.036 5.077 508 HA GLN 61 HA GLN 61 2.021 0.913 5.502 509 HB2 GLN 61 2HB GLN 61 0.224 2.210 7.111 510 HB3 GLN 61 3HB GLN 61 0.024 0.539 7.623 511 HG2 GLN 61 2HG GLN 61 1.651 1.471 9.039 512 HG3 GLN 61 3HG GLN 61 2.523 0.446 7.901 513 HE21 GLN 61 1HE2 GLN 61 2.158 3.568 9.179 514 HE22 GLN 61 2HE2 GLN 61 3.308 4.375 8.173 515 H MET 62 H MET 62 -0.784 -0.309 4.249 516 HA MET 62 HA MET 62 -0.658 -2.930 5.464 517 HB2 MET 62 2HB MET 62 -2.232 -2.174 3.009 518 HB3 MET 62 3HB MET 62 -2.555 -3.475 4.147 519 HG2 MET 62 2HG MET 62 -2.792 -0.527 4.706 520 HG3 MET 62 3HG MET 62 -4.122 -1.650 4.437 521 HE1 MET 62 3HE MET 62 -5.416 -2.329 5.974 522 HE2 MET 62 1HE MET 62 -5.111 -2.770 7.654 523 HE3 MET 62 2HE MET 62 -5.286 -1.073 7.206 524 H SER 63 H SER 63 -0.570 -1.942 2.038 525 HA SER 63 HA SER 63 0.549 -2.789 0.246 526 HB2 SER 63 2HB SER 63 2.756 -3.571 2.144 527 HB3 SER 63 3HB SER 63 2.887 -3.041 0.467 528 HG SER 63 HG SER 63 3.081 -1.555 2.611 529 H ALA 64 H ALA 64 -1.130 -4.582 1.937 530 HA ALA 64 HA ALA 64 -0.754 -6.968 0.523 531 HB1 ALA 64 1HB ALA 64 0.480 -6.894 3.254 532 HB2 ALA 64 2HB ALA 64 -0.117 -8.399 2.555 533 HB3 ALA 64 3HB ALA 64 1.162 -7.497 1.743 534 H GLY 65 H GLY 65 -2.934 -5.381 1.051 535 HA2 GLY 65 2HA GLY 65 -4.547 -7.112 2.823 536 HA3 GLY 65 3HA GLY 65 -4.792 -5.374 2.720 537 H ALA 66 H ALA 66 -6.081 -8.207 1.812 538 HA ALA 66 HA ALA 66 -6.691 -7.893 -0.912 539 HB1 ALA 66 1HB ALA 66 -7.738 -9.514 1.326 540 HB2 ALA 66 2HB ALA 66 -8.809 -9.294 -0.058 541 HB3 ALA 66 3HB ALA 66 -7.210 -10.004 -0.284 542 H THR 67 H THR 67 -8.222 -6.773 -1.986 543 HA THR 67 HA THR 67 -10.134 -5.198 -0.388 544 HB THR 67 HB THR 67 -9.688 -3.879 -2.862 545 HG1 THR 67 HG1 THR 67 -7.249 -4.078 -1.452 546 HG21 THR 67 3HG2 THR 67 -10.374 -2.940 -0.629 547 HG22 THR 67 1HG2 THR 67 -9.134 -2.017 -1.477 548 HG23 THR 67 2HG2 THR 67 -8.686 -3.071 -0.135 549 H PHE 68 H PHE 68 -12.216 -5.083 -1.106 550 HA PHE 68 HA PHE 68 -12.855 -6.442 -3.636 551 HB2 PHE 68 2HB PHE 68 -13.410 -8.064 -2.000 552 HB3 PHE 68 3HB PHE 68 -14.118 -6.856 -0.931 553 HD1 PHE 68 HD2 PHE 68 -14.575 -8.235 -4.367 554 HD2 PHE 68 HD1 PHE 68 -16.404 -6.695 -0.846 555 HE1 PHE 68 HE2 PHE 68 -16.795 -8.699 -5.321 556 HE2 PHE 68 HE1 PHE 68 -18.627 -7.158 -1.794 557 HZ PHE 68 HZ PHE 68 -18.825 -8.160 -4.035 558 H HIS 69 H HIS 69 -13.736 -4.990 -4.942 559 HA HIS 69 HA HIS 69 -15.184 -2.714 -3.845 560 HB2 HIS 69 2HB HIS 69 -14.219 -3.393 -6.623 561 HB3 HIS 69 3HB HIS 69 -15.226 -1.989 -6.282 562 HD1 HIS 69 HD1 HIS 69 -12.294 -3.207 -4.213 563 HD2 HIS 69 HD2 HIS 69 -13.396 0.010 -6.601 564 HE1 HIS 69 HE1 HIS 69 -10.450 -1.516 -3.956 565 H MET 70 H MET 70 -17.323 -2.232 -4.284 566 HA MET 70 HA MET 70 -18.888 -4.339 -5.618 567 HB2 MET 70 2HB MET 70 -19.166 -4.573 -3.206 568 HB3 MET 70 3HB MET 70 -19.606 -2.876 -3.071 569 HG2 MET 70 2HG MET 70 -21.726 -3.326 -3.503 570 HG3 MET 70 3HG MET 70 -21.297 -4.184 -4.981 571 HE1 MET 70 3HE MET 70 -23.521 -4.387 -2.736 572 HE2 MET 70 1HE MET 70 -23.853 -5.775 -3.773 573 HE3 MET 70 2HE MET 70 -23.642 -6.002 -2.037 574 H VAL 71 H VAL 71 -20.190 -3.625 -7.177 575 HA VAL 71 HA VAL 71 -21.095 -0.831 -7.117 576 HB VAL 71 HB VAL 71 -20.016 -2.167 -9.601 577 HG11 VAL 71 1HG1 VAL 71 -20.342 -0.099 -10.695 578 HG12 VAL 71 2HG1 VAL 71 -21.838 -0.422 -9.816 579 HG13 VAL 71 3HG1 VAL 71 -20.671 0.737 -9.178 580 HG21 VAL 71 3HG2 VAL 71 -18.248 -0.295 -9.315 581 HG22 VAL 71 1HG2 VAL 71 -18.744 -0.317 -7.623 582 HG23 VAL 71 2HG2 VAL 71 -18.089 -1.775 -8.369 583 H VAL 72 H VAL 72 -23.238 -0.968 -7.005 584 HA VAL 72 HA VAL 72 -24.613 -3.065 -8.542 585 HB VAL 72 HB VAL 72 -25.182 -3.209 -6.229 586 HG11 VAL 72 1HG1 VAL 72 -24.958 -0.346 -6.329 587 HG12 VAL 72 2HG1 VAL 72 -26.492 -0.817 -5.594 588 HG13 VAL 72 3HG1 VAL 72 -24.973 -1.419 -4.930 589 HG21 VAL 72 3HG2 VAL 72 -27.491 -1.721 -7.450 590 HG22 VAL 72 1HG2 VAL 72 -27.015 -3.331 -7.991 591 HG23 VAL 72 2HG2 VAL 72 -27.530 -3.078 -6.324 592 H ALA 73 H ALA 73 -25.144 -2.307 -10.497 593 HA ALA 73 HA ALA 73 -26.496 0.310 -10.632 594 HB1 ALA 73 1HB ALA 73 -24.154 0.075 -11.704 595 HB2 ALA 73 2HB ALA 73 -25.001 -0.822 -12.964 596 HB3 ALA 73 3HB ALA 73 -25.442 0.851 -12.625 597 H LEU 74 H LEU 74 -28.172 -1.599 -10.099 598 HA LEU 74 HA LEU 74 -30.078 -2.634 -10.782 599 HB2 LEU 74 2HB LEU 74 -29.500 -0.677 -12.854 600 HB3 LEU 74 3HB LEU 74 -30.402 -2.062 -13.465 601 HG LEU 74 HG LEU 74 -32.033 -1.617 -11.542 602 HD11 LEU 74 1HD1 LEU 74 -30.333 -0.012 -10.465 603 HD12 LEU 74 2HD1 LEU 74 -32.036 0.445 -10.475 604 HD13 LEU 74 3HD1 LEU 74 -30.925 1.163 -11.641 605 HD21 LEU 74 3HD2 LEU 74 -33.297 -0.795 -13.171 606 HD22 LEU 74 1HD2 LEU 74 -31.846 -0.634 -14.161 607 HD23 LEU 74 2HD2 LEU 74 -32.393 0.720 -13.171 608 H ARG 75 H ARG 75 -29.077 -4.681 -10.571 609 HA ARG 75 HA ARG 75 -28.939 -6.132 -13.079 610 HB2 ARG 75 2HB ARG 75 -26.584 -5.745 -11.264 611 HB3 ARG 75 3HB ARG 75 -26.752 -7.240 -12.174 612 HG2 ARG 75 2HG ARG 75 -25.738 -6.220 -13.858 613 HG3 ARG 75 3HG ARG 75 -27.189 -5.232 -14.043 614 HD2 ARG 75 2HD ARG 75 -26.292 -3.477 -12.777 615 HD3 ARG 75 3HD ARG 75 -25.035 -4.503 -12.087 616 HE ARG 75 HE ARG 75 -24.872 -4.180 -14.946 617 HH11 ARG 75 1HH1 ARG 75 -23.938 -2.914 -11.841 618 HH12 ARG 75 2HH1 ARG 75 -22.545 -2.084 -12.452 619 HH21 ARG 75 1HH2 ARG 75 -23.041 -3.092 -15.764 620 HH22 ARG 75 2HH2 ARG 75 -22.037 -2.185 -14.684 621 H ALA 76 H ALA 76 -28.154 -8.554 -12.345 622 HA ALA 76 HA ALA 76 -29.898 -9.253 -10.072 623 HB1 ALA 76 1HB ALA 76 -30.823 -9.924 -12.258 624 HB2 ALA 76 2HB ALA 76 -29.387 -10.910 -12.539 625 HB3 ALA 76 3HB ALA 76 -30.480 -11.302 -11.211 626 H GLY 77 H GLY 77 -26.753 -9.232 -11.202 627 HA2 GLY 77 2HA GLY 77 -25.956 -11.660 -9.775 628 HA3 GLY 77 3HA GLY 77 -24.924 -10.673 -10.799 629 H CYS 78 H CYS 78 -26.941 -9.202 -8.379 630 HA CYS 78 HA CYS 78 -24.825 -7.821 -7.174 631 HB2 CYS 78 2HB CYS 78 -27.206 -7.124 -7.072 632 HB3 CYS 78 3HB CYS 78 -27.527 -8.460 -5.972 633 HG CYS 78 HG CYS 78 -25.308 -5.961 -5.250 Start of MODEL 12 1 H MET 1 H MET 1 1.345 -0.616 1.078 2 HA MET 1 HA MET 1 1.808 0.511 -1.357 3 HB2 MET 1 2HB MET 1 3.411 -0.710 0.303 4 HB3 MET 1 3HB MET 1 3.111 -2.111 -0.716 5 HG2 MET 1 2HG MET 1 4.108 -1.119 -2.578 6 HG3 MET 1 3HG MET 1 4.019 0.495 -1.875 7 HE1 MET 1 3HE MET 1 6.536 1.061 -2.423 8 HE2 MET 1 1HE MET 1 7.873 -0.040 -2.089 9 HE3 MET 1 2HE MET 1 6.631 -0.490 -3.258 10 H LEU 2 H LEU 2 1.364 -3.012 -0.998 11 HA LEU 2 HA LEU 2 0.307 -3.068 -3.740 12 HB2 LEU 2 2HB LEU 2 2.138 -4.500 -3.640 13 HB3 LEU 2 3HB LEU 2 1.713 -5.084 -2.032 14 HG LEU 2 HG LEU 2 -0.139 -5.719 -4.267 15 HD11 LEU 2 1HD1 LEU 2 1.823 -7.784 -4.051 16 HD12 LEU 2 2HD1 LEU 2 2.613 -6.268 -4.484 17 HD13 LEU 2 3HD1 LEU 2 1.297 -6.891 -5.479 18 HD21 LEU 2 3HD2 LEU 2 -0.946 -6.671 -2.372 19 HD22 LEU 2 1HD2 LEU 2 0.646 -6.802 -1.626 20 HD23 LEU 2 2HD2 LEU 2 0.151 -7.965 -2.856 21 H LEU 3 H LEU 3 -1.788 -3.416 -4.040 22 HA LEU 3 HA LEU 3 -3.289 -4.975 -2.066 23 HB2 LEU 3 2HB LEU 3 -4.861 -3.382 -1.639 24 HB3 LEU 3 3HB LEU 3 -3.436 -2.364 -1.841 25 HG LEU 3 HG LEU 3 -5.527 -2.863 -3.959 26 HD11 LEU 3 1HD1 LEU 3 -6.683 -1.108 -3.214 27 HD12 LEU 3 2HD1 LEU 3 -5.225 -0.162 -2.917 28 HD13 LEU 3 3HD1 LEU 3 -5.790 -1.313 -1.707 29 HD21 LEU 3 3HD2 LEU 3 -4.054 -0.549 -4.492 30 HD22 LEU 3 1HD2 LEU 3 -3.992 -2.082 -5.362 31 HD23 LEU 3 2HD2 LEU 3 -2.864 -1.772 -4.042 32 H LYS 4 H LYS 4 -5.117 -6.031 -2.879 33 HA LYS 4 HA LYS 4 -5.270 -6.101 -5.820 34 HB2 LYS 4 2HB LYS 4 -4.487 -8.209 -4.964 35 HB3 LYS 4 3HB LYS 4 -5.784 -8.266 -3.778 36 HG2 LYS 4 2HG LYS 4 -7.411 -8.400 -5.654 37 HG3 LYS 4 3HG LYS 4 -6.044 -8.517 -6.766 38 HD2 LYS 4 2HD LYS 4 -6.221 -10.398 -4.452 39 HD3 LYS 4 3HD LYS 4 -7.222 -10.681 -5.878 40 HE2 LYS 4 2HE LYS 4 -5.424 -11.131 -7.220 41 HE3 LYS 4 3HE LYS 4 -4.330 -10.116 -6.279 42 HZ1 LYS 4 3HZ LYS 4 -5.326 -12.816 -5.555 43 HZ2 LYS 4 1HZ LYS 4 -4.443 -11.825 -4.507 44 HZ3 LYS 4 2HZ LYS 4 -3.736 -12.382 -5.938 45 H VAL 5 H VAL 5 -6.983 -4.998 -6.509 46 HA VAL 5 HA VAL 5 -9.441 -5.019 -4.903 47 HB VAL 5 HB VAL 5 -10.163 -3.112 -6.265 48 HG11 VAL 5 1HG1 VAL 5 -7.470 -2.926 -4.942 49 HG12 VAL 5 2HG1 VAL 5 -8.333 -1.507 -5.539 50 HG13 VAL 5 3HG1 VAL 5 -9.049 -2.511 -4.278 51 HG21 VAL 5 3HG2 VAL 5 -9.145 -3.541 -8.366 52 HG22 VAL 5 1HG2 VAL 5 -8.443 -2.039 -7.764 53 HG23 VAL 5 2HG2 VAL 5 -7.529 -3.544 -7.659 54 H LYS 6 H LYS 6 -11.172 -6.121 -5.545 55 HA LYS 6 HA LYS 6 -11.340 -6.967 -8.361 56 HB2 LYS 6 2HB LYS 6 -12.389 -9.085 -7.537 57 HB3 LYS 6 3HB LYS 6 -10.691 -8.909 -7.115 58 HG2 LYS 6 2HG LYS 6 -12.013 -7.799 -4.961 59 HG3 LYS 6 3HG LYS 6 -13.013 -9.185 -5.405 60 HD2 LYS 6 2HD LYS 6 -11.429 -10.000 -3.853 61 HD3 LYS 6 3HD LYS 6 -10.874 -10.544 -5.438 62 HE2 LYS 6 2HE LYS 6 -8.918 -9.567 -5.056 63 HE3 LYS 6 3HE LYS 6 -9.732 -8.004 -5.002 64 HZ1 LYS 6 3HZ LYS 6 -9.875 -8.065 -2.708 65 HZ2 LYS 6 1HZ LYS 6 -8.351 -8.746 -2.989 66 HZ3 LYS 6 2HZ LYS 6 -9.668 -9.742 -2.620 67 H THR 7 H THR 7 -13.125 -6.285 -9.328 68 HA THR 7 HA THR 7 -15.291 -5.171 -7.754 69 HB THR 7 HB THR 7 -15.566 -5.332 -10.698 70 HG1 THR 7 HG1 THR 7 -13.377 -4.154 -9.403 71 HG21 THR 7 3HG2 THR 7 -15.919 -2.771 -10.109 72 HG22 THR 7 1HG2 THR 7 -16.151 -3.426 -8.489 73 HG23 THR 7 2HG2 THR 7 -17.180 -3.968 -9.815 74 H VAL 8 H VAL 8 -17.578 -5.629 -8.534 75 HA VAL 8 HA VAL 8 -18.154 -8.365 -8.135 76 HB VAL 8 HB VAL 8 -19.689 -6.478 -7.551 77 HG11 VAL 8 1HG1 VAL 8 -19.307 -5.505 -9.972 78 HG12 VAL 8 2HG1 VAL 8 -20.724 -6.491 -10.340 79 HG13 VAL 8 3HG1 VAL 8 -20.819 -5.236 -9.104 80 HG21 VAL 8 3HG2 VAL 8 -21.435 -7.898 -7.536 81 HG22 VAL 8 1HG2 VAL 8 -21.361 -8.168 -9.277 82 HG23 VAL 8 2HG2 VAL 8 -20.272 -9.045 -8.201 83 H SER 9 H SER 9 -17.210 -6.681 -10.904 84 HA SER 9 HA SER 9 -18.583 -8.432 -12.774 85 HB2 SER 9 2HB SER 9 -17.006 -5.931 -12.958 86 HB3 SER 9 3HB SER 9 -16.877 -7.027 -14.334 87 HG SER 9 HG SER 9 -18.814 -5.340 -13.835 88 H ASN 10 H ASN 10 -16.271 -9.118 -10.787 89 HA ASN 10 HA ASN 10 -14.628 -10.693 -10.722 90 HB2 ASN 10 2HB ASN 10 -16.285 -11.537 -12.773 91 HB3 ASN 10 3HB ASN 10 -14.693 -11.514 -13.524 92 HD21 ASN 10 1HD2 ASN 10 -16.683 -12.931 -11.060 93 HD22 ASN 10 2HD2 ASN 10 -15.644 -14.264 -10.701 94 H LYS 11 H LYS 11 -14.052 -7.971 -11.400 95 HA LYS 11 HA LYS 11 -11.765 -8.253 -13.227 96 HB2 LYS 11 2HB LYS 11 -13.340 -5.848 -12.316 97 HB3 LYS 11 3HB LYS 11 -11.798 -5.703 -13.149 98 HG2 LYS 11 2HG LYS 11 -12.795 -7.050 -15.018 99 HG3 LYS 11 3HG LYS 11 -14.352 -6.888 -14.202 100 HD2 LYS 11 2HD LYS 11 -13.645 -4.321 -14.220 101 HD3 LYS 11 3HD LYS 11 -12.726 -4.855 -15.630 102 HE2 LYS 11 2HE LYS 11 -15.552 -5.729 -15.436 103 HE3 LYS 11 3HE LYS 11 -15.258 -4.026 -15.783 104 HZ1 LYS 11 3HZ LYS 11 -15.125 -6.195 -17.542 105 HZ2 LYS 11 1HZ LYS 11 -13.564 -5.558 -17.399 106 HZ3 LYS 11 2HZ LYS 11 -14.844 -4.561 -17.875 107 H VAL 12 H VAL 12 -10.306 -9.174 -11.775 108 HA VAL 12 HA VAL 12 -9.675 -7.712 -9.329 109 HB VAL 12 HB VAL 12 -8.446 -10.273 -10.353 110 HG11 VAL 12 1HG1 VAL 12 -6.956 -9.481 -8.781 111 HG12 VAL 12 2HG1 VAL 12 -8.219 -8.711 -7.818 112 HG13 VAL 12 3HG1 VAL 12 -8.031 -10.464 -7.788 113 HG21 VAL 12 3HG2 VAL 12 -11.031 -9.764 -9.172 114 HG22 VAL 12 1HG2 VAL 12 -10.375 -11.258 -9.842 115 HG23 VAL 12 2HG2 VAL 12 -10.066 -10.837 -8.158 116 H ILE 13 H ILE 13 -7.878 -6.519 -9.030 117 HA ILE 13 HA ILE 13 -5.799 -6.574 -11.106 118 HB ILE 13 HB ILE 13 -6.946 -4.047 -9.913 119 HG12 ILE 13 2HG1 ILE 13 -8.479 -5.095 -11.528 120 HG13 ILE 13 3HG1 ILE 13 -7.807 -3.597 -12.163 121 HG21 ILE 13 1HG2 ILE 13 -4.614 -4.631 -11.667 122 HG22 ILE 13 2HG2 ILE 13 -5.512 -3.135 -11.918 123 HG23 ILE 13 3HG2 ILE 13 -4.774 -3.468 -10.352 124 HD11 ILE 13 3HD1 ILE 13 -6.125 -5.753 -12.942 125 HD12 ILE 13 1HD1 ILE 13 -7.796 -6.156 -13.335 126 HD13 ILE 13 2HD1 ILE 13 -7.079 -4.666 -13.950 127 H GLN 14 H GLN 14 -3.907 -7.010 -10.205 128 HA GLN 14 HA GLN 14 -3.475 -6.285 -7.390 129 HB2 GLN 14 2HB GLN 14 -3.292 -8.704 -8.104 130 HB3 GLN 14 3HB GLN 14 -1.871 -8.244 -9.033 131 HG2 GLN 14 2HG GLN 14 -1.164 -7.229 -6.674 132 HG3 GLN 14 3HG GLN 14 -2.227 -8.518 -6.113 133 HE21 GLN 14 1HE2 GLN 14 -0.623 -9.762 -5.234 134 HE22 GLN 14 2HE2 GLN 14 0.573 -10.573 -6.181 135 H ILE 15 H ILE 15 -2.338 -4.497 -7.083 136 HA ILE 15 HA ILE 15 -0.193 -3.848 -8.998 137 HB ILE 15 HB ILE 15 -0.556 -1.545 -8.684 138 HG12 ILE 15 2HG1 ILE 15 -2.321 -2.332 -6.360 139 HG13 ILE 15 3HG1 ILE 15 -0.804 -1.441 -6.294 140 HG21 ILE 15 1HG2 ILE 15 -2.319 -2.912 -9.977 141 HG22 ILE 15 2HG2 ILE 15 -3.380 -2.538 -8.620 142 HG23 ILE 15 3HG2 ILE 15 -2.679 -1.233 -9.577 143 HD11 ILE 15 3HD1 ILE 15 -2.220 0.301 -6.102 144 HD12 ILE 15 1HD1 ILE 15 -2.190 0.207 -7.863 145 HD13 ILE 15 2HD1 ILE 15 -3.523 -0.517 -6.963 146 H THR 16 H THR 16 1.716 -2.863 -8.155 147 HA THR 16 HA THR 16 2.151 -3.371 -5.283 148 HB THR 16 HB THR 16 4.358 -4.152 -5.693 149 HG1 THR 16 HG1 THR 16 3.913 -3.271 -8.362 150 HG21 THR 16 3HG2 THR 16 2.123 -5.470 -6.701 151 HG22 THR 16 1HG2 THR 16 3.692 -6.186 -6.335 152 HG23 THR 16 2HG2 THR 16 3.337 -5.624 -7.969 153 H SER 17 H SER 17 1.297 -0.909 -6.025 154 HA SER 17 HA SER 17 3.418 0.765 -5.134 155 HB2 SER 17 2HB SER 17 4.280 0.843 -7.308 156 HB3 SER 17 3HB SER 17 2.680 0.798 -8.048 157 HG SER 17 HG SER 17 2.448 2.902 -7.723 158 H LEU 18 H LEU 18 1.838 1.245 -3.574 159 HA LEU 18 HA LEU 18 -0.487 2.771 -4.529 160 HB2 LEU 18 2HB LEU 18 0.048 1.119 -2.112 161 HB3 LEU 18 3HB LEU 18 -1.086 2.462 -1.977 162 HG LEU 18 HG LEU 18 -1.361 0.221 -3.976 163 HD11 LEU 18 1HD1 LEU 18 -3.387 -0.040 -2.137 164 HD12 LEU 18 2HD1 LEU 18 -1.982 0.329 -1.136 165 HD13 LEU 18 3HD1 LEU 18 -1.942 -1.047 -2.238 166 HD21 LEU 18 3HD2 LEU 18 -3.825 1.233 -3.610 167 HD22 LEU 18 1HD2 LEU 18 -2.718 1.789 -4.867 168 HD23 LEU 18 2HD2 LEU 18 -2.857 2.686 -3.355 169 H THR 19 H THR 19 -1.041 4.749 -3.500 170 HA THR 19 HA THR 19 1.278 6.308 -2.751 171 HB THR 19 HB THR 19 -1.377 7.579 -2.562 172 HG1 THR 19 HG1 THR 19 -1.972 6.491 -4.333 173 HG21 THR 19 3HG2 THR 19 -0.216 9.409 -3.164 174 HG22 THR 19 1HG2 THR 19 0.617 8.568 -4.471 175 HG23 THR 19 2HG2 THR 19 1.209 8.430 -2.815 176 H ASP 20 H ASP 20 0.753 8.046 -0.954 177 HA ASP 20 HA ASP 20 -0.332 6.621 1.385 178 HB2 ASP 20 2HB ASP 20 1.448 8.127 2.622 179 HB3 ASP 20 3HB ASP 20 1.911 6.582 1.913 180 H ASP 21 H ASP 21 -0.944 9.042 -0.633 181 HA ASP 21 HA ASP 21 -1.697 11.019 1.387 182 HB2 ASP 21 2HB ASP 21 -0.905 11.146 -1.370 183 HB3 ASP 21 3HB ASP 21 -2.498 11.876 -1.188 184 H ASN 22 H ASN 22 -3.175 9.224 -1.310 185 HA ASN 22 HA ASN 22 -5.785 9.577 0.014 186 HB2 ASN 22 2HB ASN 22 -5.029 9.522 -2.894 187 HB3 ASN 22 3HB ASN 22 -6.661 9.094 -2.387 188 HD21 ASN 22 1HD2 ASN 22 -7.058 10.999 -3.821 189 HD22 ASN 22 2HD2 ASN 22 -7.076 12.558 -3.075 190 H THR 23 H THR 23 -3.780 7.369 -1.895 191 HA THR 23 HA THR 23 -3.698 5.097 -2.018 192 HB THR 23 HB THR 23 -5.123 5.303 0.639 193 HG1 THR 23 HG1 THR 23 -2.803 6.044 0.204 194 HG21 THR 23 3HG2 THR 23 -4.130 2.930 0.883 195 HG22 THR 23 1HG2 THR 23 -4.079 2.936 -0.880 196 HG23 THR 23 2HG2 THR 23 -5.618 3.127 -0.041 197 H ILE 24 H ILE 24 -6.774 5.193 -0.281 198 HA ILE 24 HA ILE 24 -8.034 3.517 -2.217 199 HB ILE 24 HB ILE 24 -9.320 5.082 0.023 200 HG12 ILE 24 2HG1 ILE 24 -9.229 2.525 0.903 201 HG13 ILE 24 3HG1 ILE 24 -7.744 2.576 -0.041 202 HG21 ILE 24 1HG2 ILE 24 -10.798 2.828 -0.317 203 HG22 ILE 24 2HG2 ILE 24 -11.180 4.396 -1.027 204 HG23 ILE 24 3HG2 ILE 24 -10.319 3.185 -1.976 205 HD11 ILE 24 3HD1 ILE 24 -6.695 3.744 1.522 206 HD12 ILE 24 1HD1 ILE 24 -8.020 4.900 1.655 207 HD13 ILE 24 2HD1 ILE 24 -8.068 3.394 2.572 208 H ALA 25 H ALA 25 -8.455 6.925 -1.285 209 HA ALA 25 HA ALA 25 -10.491 7.564 -3.083 210 HB1 ALA 25 1HB ALA 25 -9.086 8.921 -1.164 211 HB2 ALA 25 2HB ALA 25 -8.575 9.722 -2.650 212 HB3 ALA 25 3HB ALA 25 -10.288 9.626 -2.245 213 H GLU 26 H GLU 26 -6.987 7.524 -3.503 214 HA GLU 26 HA GLU 26 -6.977 8.718 -6.077 215 HB2 GLU 26 2HB GLU 26 -4.970 8.697 -4.714 216 HB3 GLU 26 3HB GLU 26 -4.949 6.939 -4.714 217 HG2 GLU 26 2HG GLU 26 -3.739 6.928 -6.558 218 HG3 GLU 26 3HG GLU 26 -4.986 7.837 -7.410 219 H LEU 27 H LEU 27 -7.088 5.378 -4.942 220 HA LEU 27 HA LEU 27 -6.797 4.158 -7.476 221 HB2 LEU 27 2HB LEU 27 -7.207 3.340 -4.781 222 HB3 LEU 27 3HB LEU 27 -8.391 2.520 -5.796 223 HG LEU 27 HG LEU 27 -6.404 1.151 -5.474 224 HD11 LEU 27 1HD1 LEU 27 -7.601 1.809 -7.919 225 HD12 LEU 27 2HD1 LEU 27 -6.716 0.339 -7.513 226 HD13 LEU 27 3HD1 LEU 27 -5.869 1.705 -8.238 227 HD21 LEU 27 3HD2 LEU 27 -4.866 3.290 -6.935 228 HD22 LEU 27 1HD2 LEU 27 -4.240 1.803 -6.221 229 HD23 LEU 27 2HD2 LEU 27 -4.845 3.094 -5.182 230 H LYS 28 H LYS 28 -9.674 4.893 -5.518 231 HA LYS 28 HA LYS 28 -11.552 3.925 -7.391 232 HB2 LYS 28 2HB LYS 28 -13.216 5.116 -6.073 233 HB3 LYS 28 3HB LYS 28 -12.080 4.293 -5.013 234 HG2 LYS 28 2HG LYS 28 -10.878 6.440 -4.716 235 HG3 LYS 28 3HG LYS 28 -12.137 7.230 -5.669 236 HD2 LYS 28 2HD LYS 28 -12.609 5.692 -3.115 237 HD3 LYS 28 3HD LYS 28 -12.486 7.449 -3.228 238 HE2 LYS 28 2HE LYS 28 -14.701 7.424 -3.520 239 HE3 LYS 28 3HE LYS 28 -14.354 6.844 -5.148 240 HZ1 LYS 28 3HZ LYS 28 -14.336 4.544 -3.974 241 HZ2 LYS 28 1HZ LYS 28 -15.809 5.266 -4.389 242 HZ3 LYS 28 2HZ LYS 28 -15.253 5.336 -2.793 243 H GLY 29 H GLY 29 -10.129 7.117 -6.860 244 HA2 GLY 29 2HA GLY 29 -11.770 8.504 -8.710 245 HA3 GLY 29 3HA GLY 29 -10.214 9.049 -8.100 246 H LYS 30 H LYS 30 -8.777 6.704 -9.055 247 HA LYS 30 HA LYS 30 -8.243 7.630 -11.714 248 HB2 LYS 30 2HB LYS 30 -7.114 5.466 -9.965 249 HB3 LYS 30 3HB LYS 30 -6.675 5.557 -11.666 250 HG2 LYS 30 2HG LYS 30 -6.430 8.127 -10.363 251 HG3 LYS 30 3HG LYS 30 -5.462 6.887 -9.563 252 HD2 LYS 30 2HD LYS 30 -5.287 6.772 -12.470 253 HD3 LYS 30 3HD LYS 30 -4.736 8.312 -11.807 254 HE2 LYS 30 2HE LYS 30 -3.230 7.115 -10.292 255 HE3 LYS 30 3HE LYS 30 -3.782 5.579 -10.957 256 HZ1 LYS 30 3HZ LYS 30 -2.253 5.767 -12.526 257 HZ2 LYS 30 1HZ LYS 30 -1.756 7.265 -11.916 258 HZ3 LYS 30 2HZ LYS 30 -2.974 7.191 -13.086 259 H LEU 31 H LEU 31 -9.842 4.841 -10.285 260 HA LEU 31 HA LEU 31 -10.123 3.371 -12.698 261 HB2 LEU 31 2HB LEU 31 -10.349 2.609 -10.230 262 HB3 LEU 31 3HB LEU 31 -12.020 3.143 -10.394 263 HG LEU 31 HG LEU 31 -10.974 1.250 -12.430 264 HD11 LEU 31 1HD1 LEU 31 -11.213 -0.661 -11.071 265 HD12 LEU 31 2HD1 LEU 31 -11.883 0.275 -9.736 266 HD13 LEU 31 3HD1 LEU 31 -10.181 0.447 -10.166 267 HD21 LEU 31 3HD2 LEU 31 -13.597 1.397 -10.953 268 HD22 LEU 31 1HD2 LEU 31 -13.235 0.451 -12.396 269 HD23 LEU 31 2HD2 LEU 31 -13.266 2.212 -12.482 270 H GLU 32 H GLU 32 -12.262 5.581 -10.933 271 HA GLU 32 HA GLU 32 -14.457 5.319 -12.707 272 HB2 GLU 32 2HB GLU 32 -15.290 7.390 -11.616 273 HB3 GLU 32 3HB GLU 32 -14.816 6.143 -10.470 274 HG2 GLU 32 2HG GLU 32 -13.842 7.928 -9.480 275 HG3 GLU 32 3HG GLU 32 -12.522 7.453 -10.547 276 H GLU 33 H GLU 33 -11.747 7.576 -12.517 277 HA GLU 33 HA GLU 33 -12.647 9.297 -14.586 278 HB2 GLU 33 2HB GLU 33 -10.879 9.765 -12.790 279 HB3 GLU 33 3HB GLU 33 -9.765 8.879 -13.822 280 HG2 GLU 33 2HG GLU 33 -11.204 10.875 -15.322 281 HG3 GLU 33 3HG GLU 33 -10.376 11.585 -13.938 282 H SER 34 H SER 34 -10.694 6.382 -14.521 283 HA SER 34 HA SER 34 -9.678 6.526 -17.143 284 HB2 SER 34 2HB SER 34 -8.789 4.989 -15.427 285 HB3 SER 34 3HB SER 34 -10.287 4.060 -15.494 286 HG SER 34 HG SER 34 -8.912 3.030 -16.850 287 H GLU 35 H GLU 35 -12.620 5.055 -15.829 288 HA GLU 35 HA GLU 35 -13.478 4.081 -18.397 289 HB2 GLU 35 2HB GLU 35 -14.676 4.151 -15.649 290 HB3 GLU 35 3HB GLU 35 -15.683 3.760 -17.036 291 HG2 GLU 35 2HG GLU 35 -13.123 2.293 -16.692 292 HG3 GLU 35 3HG GLU 35 -14.476 1.892 -15.636 293 H GLY 36 H GLY 36 -13.424 7.096 -16.998 294 HA2 GLY 36 2HA GLY 36 -14.191 9.058 -18.046 295 HA3 GLY 36 3HA GLY 36 -15.347 8.094 -18.954 296 H ILE 37 H ILE 37 -16.605 6.733 -16.881 297 HA ILE 37 HA ILE 37 -17.665 8.833 -15.132 298 HB ILE 37 HB ILE 37 -19.992 7.911 -15.592 299 HG12 ILE 37 2HG1 ILE 37 -19.202 7.175 -18.324 300 HG13 ILE 37 3HG1 ILE 37 -18.637 6.054 -17.091 301 HG21 ILE 37 1HG2 ILE 37 -19.376 10.106 -16.328 302 HG22 ILE 37 2HG2 ILE 37 -18.507 9.449 -17.714 303 HG23 ILE 37 3HG2 ILE 37 -20.264 9.315 -17.630 304 HD11 ILE 37 3HD1 ILE 37 -20.646 5.116 -17.512 305 HD12 ILE 37 1HD1 ILE 37 -21.165 6.287 -16.299 306 HD13 ILE 37 2HD1 ILE 37 -21.378 6.640 -18.014 307 HA PRO 38 HA PRO 38 -17.669 5.731 -12.024 308 HB2 PRO 38 2HB PRO 38 -19.774 6.512 -10.498 309 HB3 PRO 38 3HB PRO 38 -18.239 7.388 -10.538 310 HG2 PRO 38 2HG PRO 38 -20.796 7.980 -11.977 311 HG3 PRO 38 3HG PRO 38 -19.696 9.095 -11.145 312 HD2 PRO 38 2HD PRO 38 -19.704 8.793 -13.836 313 HD3 PRO 38 3HD PRO 38 -18.230 9.174 -12.922 314 H GLY 39 H GLY 39 -18.472 3.721 -11.691 315 HA2 GLY 39 2HA GLY 39 -20.356 2.616 -13.439 316 HA3 GLY 39 3HA GLY 39 -19.788 1.860 -11.957 317 H ASN 40 H ASN 40 -20.734 3.562 -10.031 318 HA ASN 40 HA ASN 40 -23.321 4.496 -10.225 319 HB2 ASN 40 2HB ASN 40 -23.253 1.657 -10.419 320 HB3 ASN 40 3HB ASN 40 -23.957 2.070 -8.858 321 HD21 ASN 40 1HD2 ASN 40 -24.518 1.711 -12.138 322 HD22 ASN 40 2HD2 ASN 40 -26.083 2.439 -12.214 323 H MET 41 H MET 41 -22.065 2.083 -7.927 324 HA MET 41 HA MET 41 -22.250 4.124 -5.821 325 HB2 MET 41 2HB MET 41 -22.465 1.134 -5.812 326 HB3 MET 41 3HB MET 41 -22.020 1.985 -4.339 327 HG2 MET 41 2HG MET 41 -24.126 3.402 -4.795 328 HG3 MET 41 3HG MET 41 -24.582 2.084 -5.873 329 HE1 MET 41 3HE MET 41 -23.640 3.340 -2.601 330 HE2 MET 41 1HE MET 41 -24.775 2.552 -1.505 331 HE3 MET 41 2HE MET 41 -23.173 1.861 -1.759 332 H ILE 42 H ILE 42 -20.136 1.607 -7.132 333 HA ILE 42 HA ILE 42 -17.911 1.179 -6.862 334 HB ILE 42 HB ILE 42 -17.611 4.150 -6.462 335 HG12 ILE 42 2HG1 ILE 42 -17.271 3.673 -9.163 336 HG13 ILE 42 3HG1 ILE 42 -18.660 2.670 -8.758 337 HG21 ILE 42 1HG2 ILE 42 -15.568 3.540 -7.982 338 HG22 ILE 42 2HG2 ILE 42 -15.511 3.247 -6.245 339 HG23 ILE 42 3HG2 ILE 42 -15.848 1.917 -7.353 340 HD11 ILE 42 3HD1 ILE 42 -18.391 5.627 -8.274 341 HD12 ILE 42 1HD1 ILE 42 -19.377 4.847 -9.510 342 HD13 ILE 42 2HD1 ILE 42 -19.773 4.637 -7.804 343 H ARG 43 H ARG 43 -19.073 0.532 -4.591 344 HA ARG 43 HA ARG 43 -17.439 1.766 -2.472 345 HB2 ARG 43 2HB ARG 43 -20.244 0.835 -2.547 346 HB3 ARG 43 3HB ARG 43 -19.345 0.427 -1.092 347 HG2 ARG 43 2HG ARG 43 -19.264 3.227 -2.102 348 HG3 ARG 43 3HG ARG 43 -20.700 2.654 -1.250 349 HD2 ARG 43 2HD ARG 43 -18.537 1.773 0.279 350 HD3 ARG 43 3HD ARG 43 -18.120 3.416 -0.206 351 HE ARG 43 HE ARG 43 -20.166 2.626 1.640 352 HH11 ARG 43 1HH1 ARG 43 -19.164 5.083 -0.614 353 HH12 ARG 43 2HH1 ARG 43 -20.074 6.342 0.152 354 HH21 ARG 43 1HH2 ARG 43 -21.369 4.275 2.658 355 HH22 ARG 43 2HH2 ARG 43 -21.327 5.882 2.014 356 H LEU 44 H LEU 44 -15.827 0.547 -1.767 357 HA LEU 44 HA LEU 44 -15.991 -2.366 -2.123 358 HB2 LEU 44 2HB LEU 44 -13.535 -2.329 -1.872 359 HB3 LEU 44 3HB LEU 44 -14.115 -1.394 -3.249 360 HG LEU 44 HG LEU 44 -13.594 0.054 -0.704 361 HD11 LEU 44 1HD1 LEU 44 -11.505 -0.711 -0.557 362 HD12 LEU 44 2HD1 LEU 44 -11.189 0.212 -2.026 363 HD13 LEU 44 3HD1 LEU 44 -11.591 -1.502 -2.132 364 HD21 LEU 44 3HD2 LEU 44 -13.692 1.834 -2.039 365 HD22 LEU 44 1HD2 LEU 44 -14.279 0.744 -3.295 366 HD23 LEU 44 2HD2 LEU 44 -12.560 1.126 -3.192 367 H VAL 45 H VAL 45 -15.164 -3.745 -0.437 368 HA VAL 45 HA VAL 45 -15.441 -2.544 2.242 369 HB VAL 45 HB VAL 45 -16.038 -5.403 1.473 370 HG11 VAL 45 1HG1 VAL 45 -15.311 -4.909 3.837 371 HG12 VAL 45 2HG1 VAL 45 -16.778 -3.942 3.998 372 HG13 VAL 45 3HG1 VAL 45 -16.892 -5.671 3.668 373 HG21 VAL 45 3HG2 VAL 45 -17.891 -4.522 0.558 374 HG22 VAL 45 1HG2 VAL 45 -18.416 -4.314 2.229 375 HG23 VAL 45 2HG2 VAL 45 -17.670 -2.969 1.365 376 H TYR 46 H TYR 46 -13.664 -2.551 3.437 377 HA TYR 46 HA TYR 46 -11.490 -4.394 2.728 378 HB2 TYR 46 2HB TYR 46 -11.413 -1.690 3.067 379 HB3 TYR 46 3HB TYR 46 -10.935 -2.246 4.667 380 HD1 TYR 46 HD2 TYR 46 -9.412 -4.689 3.989 381 HD2 TYR 46 HD1 TYR 46 -9.442 -0.859 2.136 382 HE1 TYR 46 HE2 TYR 46 -7.123 -5.071 3.175 383 HE2 TYR 46 HE1 TYR 46 -7.153 -1.231 1.316 384 HH TYR 46 HH TYR 46 -5.282 -2.541 1.608 385 H GLN 47 H GLN 47 -11.314 -6.149 3.938 386 HA GLN 47 HA GLN 47 -11.403 -7.590 5.697 387 HB2 GLN 47 2HB GLN 47 -9.964 -5.402 6.516 388 HB3 GLN 47 3HB GLN 47 -11.179 -5.536 7.781 389 HG2 GLN 47 2HG GLN 47 -9.989 -7.131 8.734 390 HG3 GLN 47 3HG GLN 47 -10.203 -8.135 7.301 391 HE21 GLN 47 1HE2 GLN 47 -8.600 -8.088 5.675 392 HE22 GLN 47 2HE2 GLN 47 -6.985 -7.589 6.032 393 H GLY 48 H GLY 48 -13.892 -6.505 4.769 394 HA2 GLY 48 2HA GLY 48 -16.092 -6.894 5.409 395 HA3 GLY 48 3HA GLY 48 -15.528 -7.221 7.041 396 H LYS 49 H LYS 49 -14.170 -4.364 6.085 397 HA LYS 49 HA LYS 49 -16.241 -2.837 7.501 398 HB2 LYS 49 2HB LYS 49 -13.395 -2.883 7.659 399 HB3 LYS 49 3HB LYS 49 -13.881 -1.292 7.087 400 HG2 LYS 49 2HG LYS 49 -14.207 -0.764 9.217 401 HG3 LYS 49 3HG LYS 49 -15.633 -1.802 9.160 402 HD2 LYS 49 2HD LYS 49 -12.916 -2.932 9.740 403 HD3 LYS 49 3HD LYS 49 -13.892 -2.203 11.018 404 HE2 LYS 49 2HE LYS 49 -15.120 -4.255 9.235 405 HE3 LYS 49 3HE LYS 49 -14.030 -4.776 10.519 406 HZ1 LYS 49 3HZ LYS 49 -15.949 -2.876 11.446 407 HZ2 LYS 49 1HZ LYS 49 -15.585 -4.416 12.044 408 HZ3 LYS 49 2HZ LYS 49 -16.695 -4.240 10.780 409 H GLN 50 H GLN 50 -16.783 -0.700 6.746 410 HA GLN 50 HA GLN 50 -16.509 -0.444 3.825 411 HB2 GLN 50 2HB GLN 50 -18.711 0.770 5.484 412 HB3 GLN 50 3HB GLN 50 -18.658 0.563 3.739 413 HG2 GLN 50 2HG GLN 50 -18.527 -1.975 4.340 414 HG3 GLN 50 3HG GLN 50 -19.221 -1.438 5.869 415 HE21 GLN 50 1HE2 GLN 50 -19.699 -0.696 2.427 416 HE22 GLN 50 2HE2 GLN 50 -21.418 -0.859 2.456 417 H LEU 51 H LEU 51 -16.485 1.756 2.969 418 HA LEU 51 HA LEU 51 -15.619 3.854 2.840 419 HB2 LEU 51 2HB LEU 51 -16.027 4.129 5.798 420 HB3 LEU 51 3HB LEU 51 -16.093 5.377 4.555 421 HG LEU 51 HG LEU 51 -18.137 3.538 3.947 422 HD11 LEU 51 1HD1 LEU 51 -18.005 4.224 6.875 423 HD12 LEU 51 2HD1 LEU 51 -18.086 2.621 6.144 424 HD13 LEU 51 3HD1 LEU 51 -19.476 3.703 6.052 425 HD21 LEU 51 3HD2 LEU 51 -19.577 5.440 4.333 426 HD22 LEU 51 1HD2 LEU 51 -18.098 5.970 3.531 427 HD23 LEU 51 2HD2 LEU 51 -18.312 6.248 5.260 428 H GLU 52 H GLU 52 -13.508 3.611 2.363 429 HA GLU 52 HA GLU 52 -11.635 3.376 4.627 430 HB2 GLU 52 2HB GLU 52 -11.175 2.404 1.802 431 HB3 GLU 52 3HB GLU 52 -10.087 2.206 3.169 432 HG2 GLU 52 2HG GLU 52 -12.861 1.081 3.208 433 HG3 GLU 52 3HG GLU 52 -11.521 0.212 2.462 434 H ASP 53 H ASP 53 -12.830 5.440 2.377 435 HA ASP 53 HA ASP 53 -10.660 6.698 1.199 436 HB2 ASP 53 2HB ASP 53 -13.351 7.144 1.248 437 HB3 ASP 53 3HB ASP 53 -12.760 8.521 2.175 438 H GLU 54 H GLU 54 -12.025 7.147 4.428 439 HA GLU 54 HA GLU 54 -10.368 9.335 5.146 440 HB2 GLU 54 2HB GLU 54 -12.500 7.920 6.307 441 HB3 GLU 54 3HB GLU 54 -11.154 7.743 7.422 442 HG2 GLU 54 2HG GLU 54 -10.902 10.303 7.138 443 HG3 GLU 54 3HG GLU 54 -12.557 10.224 6.537 444 H LYS 55 H LYS 55 -9.847 5.947 4.962 445 HA LYS 55 HA LYS 55 -7.476 6.077 6.670 446 HB2 LYS 55 2HB LYS 55 -9.098 3.844 5.503 447 HB3 LYS 55 3HB LYS 55 -7.442 3.542 6.014 448 HG2 LYS 55 2HG LYS 55 -8.703 2.955 7.867 449 HG3 LYS 55 3HG LYS 55 -8.155 4.589 8.247 450 HD2 LYS 55 2HD LYS 55 -10.615 4.742 6.802 451 HD3 LYS 55 3HD LYS 55 -10.806 3.611 8.144 452 HE2 LYS 55 2HE LYS 55 -9.535 6.300 8.536 453 HE3 LYS 55 3HE LYS 55 -11.287 6.104 8.563 454 HZ1 LYS 55 3HZ LYS 55 -9.485 5.644 10.634 455 HZ2 LYS 55 1HZ LYS 55 -10.117 4.138 10.194 456 HZ3 LYS 55 2HZ LYS 55 -11.158 5.393 10.640 457 H ARG 56 H ARG 56 -7.374 7.540 4.266 458 HA ARG 56 HA ARG 56 -6.313 6.339 2.040 459 HB2 ARG 56 2HB ARG 56 -4.853 8.552 1.990 460 HB3 ARG 56 3HB ARG 56 -6.589 8.586 1.711 461 HG2 ARG 56 2HG ARG 56 -5.835 8.834 4.524 462 HG3 ARG 56 3HG ARG 56 -5.249 10.144 3.497 463 HD2 ARG 56 2HD ARG 56 -7.799 9.892 2.613 464 HD3 ARG 56 3HD ARG 56 -7.988 9.449 4.309 465 HE ARG 56 HE ARG 56 -7.445 12.055 3.257 466 HH11 ARG 56 1HH1 ARG 56 -7.032 9.971 6.015 467 HH12 ARG 56 2HH1 ARG 56 -6.888 11.277 7.144 468 HH21 ARG 56 1HH2 ARG 56 -7.257 13.783 4.734 469 HH22 ARG 56 2HH2 ARG 56 -7.017 13.445 6.415 470 H LEU 57 H LEU 57 -4.098 8.072 4.194 471 HA LEU 57 HA LEU 57 -1.857 6.552 3.439 472 HB2 LEU 57 2HB LEU 57 -2.023 8.882 4.557 473 HB3 LEU 57 3HB LEU 57 -2.042 7.975 6.068 474 HG LEU 57 HG LEU 57 0.163 7.626 4.060 475 HD11 LEU 57 1HD1 LEU 57 0.266 9.548 6.366 476 HD12 LEU 57 2HD1 LEU 57 -0.150 10.051 4.728 477 HD13 LEU 57 3HD1 LEU 57 1.430 9.339 5.058 478 HD21 LEU 57 3HD2 LEU 57 -0.505 6.500 6.591 479 HD22 LEU 57 1HD2 LEU 57 0.985 7.430 6.756 480 HD23 LEU 57 2HD2 LEU 57 0.875 6.148 5.550 481 H LYS 58 H LYS 58 -4.151 6.221 6.075 482 HA LYS 58 HA LYS 58 -2.776 4.389 7.668 483 HB2 LYS 58 2HB LYS 58 -5.420 5.455 7.507 484 HB3 LYS 58 3HB LYS 58 -5.539 3.710 7.691 485 HG2 LYS 58 2HG LYS 58 -3.572 4.768 9.496 486 HG3 LYS 58 3HG LYS 58 -5.110 5.612 9.690 487 HD2 LYS 58 2HD LYS 58 -6.215 3.723 10.375 488 HD3 LYS 58 3HD LYS 58 -5.140 2.642 9.486 489 HE2 LYS 58 2HE LYS 58 -3.359 3.105 11.118 490 HE3 LYS 58 3HE LYS 58 -4.465 4.146 12.013 491 HZ1 LYS 58 3HZ LYS 58 -4.458 2.045 13.070 492 HZ2 LYS 58 1HZ LYS 58 -4.676 1.217 11.610 493 HZ3 LYS 58 2HZ LYS 58 -5.931 2.156 12.245 494 H ASP 59 H ASP 59 -4.379 3.983 4.625 495 HA ASP 59 HA ASP 59 -4.517 1.103 4.813 496 HB2 ASP 59 2HB ASP 59 -5.350 3.169 2.864 497 HB3 ASP 59 3HB ASP 59 -4.924 1.601 2.185 498 H TYR 60 H TYR 60 -2.162 3.401 4.002 499 HA TYR 60 HA TYR 60 -0.717 1.849 2.078 500 HB2 TYR 60 2HB TYR 60 -0.528 4.302 2.178 501 HB3 TYR 60 3HB TYR 60 0.202 4.181 3.774 502 HD1 TYR 60 HD2 TYR 60 0.760 2.501 0.475 503 HD2 TYR 60 HD1 TYR 60 2.458 4.623 3.748 504 HE1 TYR 60 HE2 TYR 60 2.982 2.311 -0.562 505 HE2 TYR 60 HE1 TYR 60 4.685 4.440 2.720 506 HH TYR 60 HH TYR 60 5.886 3.283 1.122 507 H GLN 61 H GLN 61 -0.952 1.865 5.496 508 HA GLN 61 HA GLN 61 1.626 0.706 6.012 509 HB2 GLN 61 2HB GLN 61 -0.273 1.971 7.557 510 HB3 GLN 61 3HB GLN 61 -0.427 0.291 8.056 511 HG2 GLN 61 2HG GLN 61 2.084 0.304 8.379 512 HG3 GLN 61 3HG GLN 61 1.996 2.055 8.198 513 HE21 GLN 61 1HE2 GLN 61 2.505 2.676 10.219 514 HE22 GLN 61 2HE2 GLN 61 1.583 2.280 11.626 515 H MET 62 H MET 62 -1.127 -0.482 4.621 516 HA MET 62 HA MET 62 -1.043 -3.127 5.799 517 HB2 MET 62 2HB MET 62 -2.568 -2.344 3.325 518 HB3 MET 62 3HB MET 62 -2.926 -3.635 4.464 519 HG2 MET 62 2HG MET 62 -3.147 -0.681 4.996 520 HG3 MET 62 3HG MET 62 -4.481 -1.798 4.718 521 HE1 MET 62 3HE MET 62 -5.298 -3.226 8.005 522 HE2 MET 62 1HE MET 62 -5.923 -1.965 6.940 523 HE3 MET 62 2HE MET 62 -5.345 -3.487 6.261 524 H SER 63 H SER 63 -0.879 -2.054 2.401 525 HA SER 63 HA SER 63 0.287 -2.847 0.615 526 HB2 SER 63 2HB SER 63 2.413 -3.735 2.561 527 HB3 SER 63 3HB SER 63 2.615 -3.181 0.899 528 HG SER 63 HG SER 63 1.833 -1.626 3.141 529 H ALA 64 H ALA 64 -1.480 -4.664 2.185 530 HA ALA 64 HA ALA 64 -1.093 -7.009 0.696 531 HB1 ALA 64 1HB ALA 64 -0.583 -8.525 2.694 532 HB2 ALA 64 2HB ALA 64 0.753 -7.610 1.997 533 HB3 ALA 64 3HB ALA 64 -0.005 -7.062 3.492 534 H GLY 65 H GLY 65 -3.268 -5.414 1.138 535 HA2 GLY 65 2HA GLY 65 -4.999 -7.147 2.793 536 HA3 GLY 65 3HA GLY 65 -5.209 -5.404 2.713 537 H ALA 66 H ALA 66 -6.424 -8.239 1.632 538 HA ALA 66 HA ALA 66 -6.917 -7.798 -1.099 539 HB1 ALA 66 1HB ALA 66 -7.783 -9.656 0.938 540 HB2 ALA 66 2HB ALA 66 -9.102 -9.231 -0.153 541 HB3 ALA 66 3HB ALA 66 -7.601 -9.893 -0.800 542 H THR 67 H THR 67 -8.423 -6.657 -2.185 543 HA THR 67 HA THR 67 -10.438 -5.201 -0.600 544 HB THR 67 HB THR 67 -9.920 -3.746 -2.978 545 HG1 THR 67 HG1 THR 67 -7.526 -3.971 -1.498 546 HG21 THR 67 3HG2 THR 67 -10.716 -2.877 -0.795 547 HG22 THR 67 1HG2 THR 67 -9.356 -1.963 -1.444 548 HG23 THR 67 2HG2 THR 67 -9.098 -3.122 -0.140 549 H PHE 68 H PHE 68 -12.488 -5.089 -1.406 550 HA PHE 68 HA PHE 68 -12.985 -6.338 -4.023 551 HB2 PHE 68 2HB PHE 68 -13.495 -7.739 -1.851 552 HB3 PHE 68 3HB PHE 68 -14.936 -6.728 -1.788 553 HD1 PHE 68 HD1 PHE 68 -15.895 -6.464 -4.411 554 HD2 PHE 68 HD2 PHE 68 -13.961 -9.826 -2.657 555 HE1 PHE 68 HE1 PHE 68 -17.006 -7.944 -6.032 556 HE2 PHE 68 HE2 PHE 68 -15.068 -11.311 -4.276 557 HZ PHE 68 HZ PHE 68 -16.592 -10.371 -5.967 558 H HIS 69 H HIS 69 -13.830 -4.841 -5.302 559 HA HIS 69 HA HIS 69 -15.358 -2.634 -4.177 560 HB2 HIS 69 2HB HIS 69 -14.259 -3.197 -6.929 561 HB3 HIS 69 3HB HIS 69 -15.329 -1.836 -6.601 562 HD1 HIS 69 HD1 HIS 69 -12.387 -3.064 -4.534 563 HD2 HIS 69 HD2 HIS 69 -13.630 0.279 -6.663 564 HE1 HIS 69 HE1 HIS 69 -10.636 -1.309 -4.112 565 H MET 70 H MET 70 -17.485 -2.159 -4.686 566 HA MET 70 HA MET 70 -18.971 -4.237 -6.149 567 HB2 MET 70 2HB MET 70 -19.432 -4.648 -3.844 568 HB3 MET 70 3HB MET 70 -19.676 -2.937 -3.519 569 HG2 MET 70 2HG MET 70 -21.799 -2.961 -4.256 570 HG3 MET 70 3HG MET 70 -21.453 -4.111 -5.545 571 HE1 MET 70 3HE MET 70 -22.759 -5.040 -1.254 572 HE2 MET 70 1HE MET 70 -21.350 -4.025 -1.563 573 HE3 MET 70 2HE MET 70 -22.944 -3.512 -2.117 574 H VAL 71 H VAL 71 -20.308 -3.503 -7.682 575 HA VAL 71 HA VAL 71 -20.996 -0.636 -7.669 576 HB VAL 71 HB VAL 71 -19.362 -0.929 -9.391 577 HG11 VAL 71 1HG1 VAL 71 -19.411 -2.600 -11.062 578 HG12 VAL 71 2HG1 VAL 71 -19.717 -3.432 -9.536 579 HG13 VAL 71 3HG1 VAL 71 -21.052 -3.084 -10.635 580 HG21 VAL 71 3HG2 VAL 71 -20.593 -0.231 -11.345 581 HG22 VAL 71 1HG2 VAL 71 -22.081 -0.920 -10.696 582 HG23 VAL 71 2HG2 VAL 71 -21.337 0.472 -9.910 583 H VAL 72 H VAL 72 -23.102 -0.485 -7.263 584 HA VAL 72 HA VAL 72 -24.929 -2.571 -8.165 585 HB VAL 72 HB VAL 72 -25.855 -0.143 -6.690 586 HG11 VAL 72 1HG1 VAL 72 -27.642 -1.412 -6.144 587 HG12 VAL 72 2HG1 VAL 72 -27.147 -2.334 -7.565 588 HG13 VAL 72 3HG1 VAL 72 -26.679 -2.877 -5.953 589 HG21 VAL 72 3HG2 VAL 72 -24.326 -2.435 -5.463 590 HG22 VAL 72 1HG2 VAL 72 -23.865 -0.732 -5.473 591 HG23 VAL 72 2HG2 VAL 72 -25.272 -1.259 -4.550 592 H ALA 73 H ALA 73 -25.471 -2.360 -10.256 593 HA ALA 73 HA ALA 73 -26.516 0.254 -11.128 594 HB1 ALA 73 1HB ALA 73 -24.244 -0.613 -12.109 595 HB2 ALA 73 2HB ALA 73 -25.301 -1.605 -13.114 596 HB3 ALA 73 3HB ALA 73 -25.443 0.152 -13.153 597 H LEU 74 H LEU 74 -28.556 -0.708 -10.338 598 HA LEU 74 HA LEU 74 -30.613 -1.587 -10.745 599 HB2 LEU 74 2HB LEU 74 -29.452 -1.136 -13.375 600 HB3 LEU 74 3HB LEU 74 -30.635 -2.442 -13.369 601 HG LEU 74 HG LEU 74 -31.563 -0.218 -13.989 602 HD11 LEU 74 1HD1 LEU 74 -32.844 -2.131 -12.877 603 HD12 LEU 74 2HD1 LEU 74 -33.578 -0.528 -12.849 604 HD13 LEU 74 3HD1 LEU 74 -32.774 -1.154 -11.410 605 HD21 LEU 74 3HD2 LEU 74 -31.870 1.469 -12.291 606 HD22 LEU 74 1HD2 LEU 74 -30.151 1.114 -12.459 607 HD23 LEU 74 2HD2 LEU 74 -31.057 0.461 -11.094 608 H ARG 75 H ARG 75 -30.156 -3.369 -9.383 609 HA ARG 75 HA ARG 75 -30.271 -5.907 -10.767 610 HB2 ARG 75 2HB ARG 75 -27.922 -5.073 -9.102 611 HB3 ARG 75 3HB ARG 75 -28.414 -6.761 -9.136 612 HG2 ARG 75 2HG ARG 75 -27.128 -6.970 -10.931 613 HG3 ARG 75 3HG ARG 75 -28.354 -6.046 -11.802 614 HD2 ARG 75 2HD ARG 75 -27.090 -3.979 -10.884 615 HD3 ARG 75 3HD ARG 75 -25.768 -5.116 -10.615 616 HE ARG 75 HE ARG 75 -26.872 -5.178 -13.277 617 HH11 ARG 75 1HH1 ARG 75 -24.517 -3.731 -11.160 618 HH12 ARG 75 2HH1 ARG 75 -23.468 -3.240 -12.449 619 HH21 ARG 75 1HH2 ARG 75 -25.499 -4.537 -14.983 620 HH22 ARG 75 2HH2 ARG 75 -24.028 -3.698 -14.623 621 H ALA 76 H ALA 76 -30.075 -7.687 -8.814 622 HA ALA 76 HA ALA 76 -31.562 -6.756 -6.485 623 HB1 ALA 76 1HB ALA 76 -33.375 -8.282 -6.749 624 HB2 ALA 76 2HB ALA 76 -33.232 -7.361 -8.247 625 HB3 ALA 76 3HB ALA 76 -32.627 -9.015 -8.168 626 H GLY 77 H GLY 77 -31.846 -8.539 -4.862 627 HA2 GLY 77 2HA GLY 77 -29.694 -10.546 -5.088 628 HA3 GLY 77 3HA GLY 77 -29.865 -9.564 -3.641 629 H CYS 78 H CYS 78 -32.296 -11.210 -5.646 630 HA CYS 78 HA CYS 78 -33.796 -12.090 -3.429 631 HB2 CYS 78 2HB CYS 78 -33.794 -12.685 -6.356 632 HB3 CYS 78 3HB CYS 78 -34.707 -13.743 -5.286 633 HG CYS 78 HG CYS 78 -36.237 -11.588 -4.227 Start of MODEL 13 1 H MET 1 H MET 1 1.141 0.021 0.623 2 HA MET 1 HA MET 1 1.415 1.105 -1.919 3 HB2 MET 1 2HB MET 1 3.195 0.285 -0.184 4 HB3 MET 1 3HB MET 1 3.093 -1.228 -1.073 5 HG2 MET 1 2HG MET 1 3.830 -0.200 -3.079 6 HG3 MET 1 3HG MET 1 3.667 1.411 -2.385 7 HE1 MET 1 3HE MET 1 5.205 -2.019 -1.735 8 HE2 MET 1 1HE MET 1 6.273 -1.491 -3.036 9 HE3 MET 1 2HE MET 1 6.905 -1.686 -1.401 10 H LEU 2 H LEU 2 1.420 -2.386 -1.172 11 HA LEU 2 HA LEU 2 0.369 -2.871 -3.876 12 HB2 LEU 2 2HB LEU 2 2.494 -3.932 -3.477 13 HB3 LEU 2 3HB LEU 2 1.891 -4.665 -1.992 14 HG LEU 2 HG LEU 2 0.399 -5.382 -4.423 15 HD11 LEU 2 1HD1 LEU 2 2.131 -5.939 -5.692 16 HD12 LEU 2 2HD1 LEU 2 2.575 -7.131 -4.471 17 HD13 LEU 2 3HD1 LEU 2 3.273 -5.513 -4.417 18 HD21 LEU 2 3HD2 LEU 2 -0.033 -6.380 -2.233 19 HD22 LEU 2 1HD2 LEU 2 1.624 -6.980 -2.177 20 HD23 LEU 2 2HD2 LEU 2 0.506 -7.591 -3.397 21 H LEU 3 H LEU 3 -1.714 -3.344 -4.004 22 HA LEU 3 HA LEU 3 -2.927 -5.037 -1.947 23 HB2 LEU 3 2HB LEU 3 -4.777 -3.637 -1.603 24 HB3 LEU 3 3HB LEU 3 -3.364 -2.589 -1.493 25 HG LEU 3 HG LEU 3 -5.018 -2.823 -3.997 26 HD11 LEU 3 1HD1 LEU 3 -5.436 -0.384 -2.535 27 HD12 LEU 3 2HD1 LEU 3 -5.897 -1.778 -1.558 28 HD13 LEU 3 3HD1 LEU 3 -6.617 -1.541 -3.151 29 HD21 LEU 3 3HD2 LEU 3 -4.014 -0.518 -4.323 30 HD22 LEU 3 1HD2 LEU 3 -2.905 -1.883 -4.453 31 HD23 LEU 3 2HD2 LEU 3 -2.933 -0.906 -2.985 32 H LYS 4 H LYS 4 -4.715 -6.249 -2.648 33 HA LYS 4 HA LYS 4 -4.973 -6.402 -5.576 34 HB2 LYS 4 2HB LYS 4 -4.101 -8.451 -4.726 35 HB3 LYS 4 3HB LYS 4 -5.286 -8.495 -3.427 36 HG2 LYS 4 2HG LYS 4 -7.033 -9.058 -4.898 37 HG3 LYS 4 3HG LYS 4 -6.073 -8.642 -6.320 38 HD2 LYS 4 2HD LYS 4 -5.068 -10.769 -4.492 39 HD3 LYS 4 3HD LYS 4 -6.408 -11.151 -5.576 40 HE2 LYS 4 2HE LYS 4 -4.748 -9.916 -7.297 41 HE3 LYS 4 3HE LYS 4 -3.571 -10.600 -6.177 42 HZ1 LYS 4 3HZ LYS 4 -3.850 -12.279 -7.708 43 HZ2 LYS 4 1HZ LYS 4 -5.506 -11.990 -7.907 44 HZ3 LYS 4 2HZ LYS 4 -4.941 -12.744 -6.502 45 H VAL 5 H VAL 5 -6.757 -5.446 -6.292 46 HA VAL 5 HA VAL 5 -9.158 -5.435 -4.606 47 HB VAL 5 HB VAL 5 -10.009 -3.698 -6.128 48 HG11 VAL 5 1HG1 VAL 5 -8.917 -2.042 -5.045 49 HG12 VAL 5 2HG1 VAL 5 -8.217 -3.391 -4.149 50 HG13 VAL 5 3HG1 VAL 5 -7.324 -2.658 -5.482 51 HG21 VAL 5 3HG2 VAL 5 -7.779 -4.594 -7.745 52 HG22 VAL 5 1HG2 VAL 5 -9.191 -3.639 -8.199 53 HG23 VAL 5 2HG2 VAL 5 -7.769 -2.844 -7.525 54 H LYS 6 H LYS 6 -10.859 -6.663 -5.076 55 HA LYS 6 HA LYS 6 -11.110 -7.746 -7.802 56 HB2 LYS 6 2HB LYS 6 -11.989 -9.849 -6.765 57 HB3 LYS 6 3HB LYS 6 -10.283 -9.550 -6.460 58 HG2 LYS 6 2HG LYS 6 -11.537 -8.353 -4.316 59 HG3 LYS 6 3HG LYS 6 -12.491 -9.811 -4.598 60 HD2 LYS 6 2HD LYS 6 -9.553 -10.127 -4.679 61 HD3 LYS 6 3HD LYS 6 -10.258 -9.766 -3.102 62 HE2 LYS 6 2HE LYS 6 -11.786 -11.667 -3.363 63 HE3 LYS 6 3HE LYS 6 -11.064 -12.028 -4.930 64 HZ1 LYS 6 3HZ LYS 6 -10.229 -12.907 -2.429 65 HZ2 LYS 6 1HZ LYS 6 -9.036 -11.844 -2.985 66 HZ3 LYS 6 2HZ LYS 6 -9.483 -13.179 -3.923 67 H THR 7 H THR 7 -12.969 -7.197 -8.712 68 HA THR 7 HA THR 7 -15.120 -6.119 -7.094 69 HB THR 7 HB THR 7 -15.630 -6.439 -9.969 70 HG1 THR 7 HG1 THR 7 -13.547 -4.682 -9.137 71 HG21 THR 7 3HG2 THR 7 -16.066 -3.962 -9.699 72 HG22 THR 7 1HG2 THR 7 -15.696 -4.169 -7.988 73 HG23 THR 7 2HG2 THR 7 -17.061 -5.025 -8.705 74 H VAL 8 H VAL 8 -17.413 -6.745 -7.755 75 HA VAL 8 HA VAL 8 -17.809 -9.481 -7.169 76 HB VAL 8 HB VAL 8 -19.431 -7.691 -6.594 77 HG11 VAL 8 1HG1 VAL 8 -19.167 -6.794 -9.089 78 HG12 VAL 8 2HG1 VAL 8 -20.609 -7.787 -9.311 79 HG13 VAL 8 3HG1 VAL 8 -20.606 -6.486 -8.119 80 HG21 VAL 8 3HG2 VAL 8 -21.155 -9.411 -8.187 81 HG22 VAL 8 1HG2 VAL 8 -19.917 -10.307 -7.308 82 HG23 VAL 8 2HG2 VAL 8 -21.026 -9.249 -6.436 83 H SER 9 H SER 9 -17.078 -7.919 -10.067 84 HA SER 9 HA SER 9 -18.438 -9.838 -11.774 85 HB2 SER 9 2HB SER 9 -17.035 -7.267 -12.153 86 HB3 SER 9 3HB SER 9 -16.831 -8.431 -13.462 87 HG SER 9 HG SER 9 -18.867 -8.207 -13.987 88 H ASN 10 H ASN 10 -16.012 -10.297 -9.855 89 HA ASN 10 HA ASN 10 -14.288 -11.781 -9.774 90 HB2 ASN 10 2HB ASN 10 -15.995 -12.833 -11.683 91 HB3 ASN 10 3HB ASN 10 -14.442 -12.785 -12.513 92 HD21 ASN 10 1HD2 ASN 10 -12.598 -13.454 -10.849 93 HD22 ASN 10 2HD2 ASN 10 -12.891 -14.973 -10.080 94 H LYS 11 H LYS 11 -13.883 -9.084 -10.654 95 HA LYS 11 HA LYS 11 -11.668 -9.379 -12.566 96 HB2 LYS 11 2HB LYS 11 -13.322 -6.995 -11.744 97 HB3 LYS 11 3HB LYS 11 -11.830 -6.837 -12.663 98 HG2 LYS 11 2HG LYS 11 -12.837 -8.343 -14.390 99 HG3 LYS 11 3HG LYS 11 -14.359 -8.232 -13.503 100 HD2 LYS 11 2HD LYS 11 -14.562 -5.927 -13.929 101 HD3 LYS 11 3HD LYS 11 -12.872 -5.786 -14.422 102 HE2 LYS 11 2HE LYS 11 -13.569 -7.470 -16.286 103 HE3 LYS 11 3HE LYS 11 -15.201 -6.914 -15.920 104 HZ1 LYS 11 3HZ LYS 11 -14.110 -4.585 -16.176 105 HZ2 LYS 11 1HZ LYS 11 -14.573 -5.457 -17.550 106 HZ3 LYS 11 2HZ LYS 11 -12.950 -5.425 -17.076 107 H VAL 12 H VAL 12 -10.071 -10.097 -11.164 108 HA VAL 12 HA VAL 12 -9.428 -8.470 -8.827 109 HB VAL 12 HB VAL 12 -8.117 -11.012 -9.801 110 HG11 VAL 12 1HG1 VAL 12 -6.559 -9.909 -8.436 111 HG12 VAL 12 2HG1 VAL 12 -7.804 -9.359 -7.313 112 HG13 VAL 12 3HG1 VAL 12 -7.354 -11.064 -7.367 113 HG21 VAL 12 3HG2 VAL 12 -10.596 -10.542 -8.385 114 HG22 VAL 12 1HG2 VAL 12 -9.948 -12.038 -9.057 115 HG23 VAL 12 2HG2 VAL 12 -9.481 -11.525 -7.436 116 H ILE 13 H ILE 13 -7.728 -7.123 -8.695 117 HA ILE 13 HA ILE 13 -5.737 -7.154 -10.856 118 HB ILE 13 HB ILE 13 -7.039 -4.653 -9.774 119 HG12 ILE 13 2HG1 ILE 13 -8.532 -5.915 -11.265 120 HG13 ILE 13 3HG1 ILE 13 -8.002 -4.414 -12.015 121 HG21 ILE 13 1HG2 ILE 13 -5.758 -3.609 -11.699 122 HG22 ILE 13 2HG2 ILE 13 -4.806 -4.127 -10.308 123 HG23 ILE 13 3HG2 ILE 13 -4.840 -5.113 -11.770 124 HD11 ILE 13 3HD1 ILE 13 -7.306 -5.555 -13.768 125 HD12 ILE 13 1HD1 ILE 13 -6.161 -6.426 -12.749 126 HD13 ILE 13 2HD1 ILE 13 -7.787 -7.064 -12.993 127 H GLN 14 H GLN 14 -3.771 -7.351 -10.034 128 HA GLN 14 HA GLN 14 -3.295 -6.495 -7.268 129 HB2 GLN 14 2HB GLN 14 -1.253 -7.938 -7.441 130 HB3 GLN 14 3HB GLN 14 -2.774 -8.805 -7.603 131 HG2 GLN 14 2HG GLN 14 -2.159 -9.604 -9.567 132 HG3 GLN 14 3HG GLN 14 -1.884 -7.976 -10.185 133 HE21 GLN 14 1HE2 GLN 14 -0.456 -10.756 -10.149 134 HE22 GLN 14 2HE2 GLN 14 1.195 -10.319 -9.888 135 H ILE 15 H ILE 15 -2.426 -4.546 -7.067 136 HA ILE 15 HA ILE 15 -0.452 -3.673 -9.075 137 HB ILE 15 HB ILE 15 -1.096 -1.430 -8.773 138 HG12 ILE 15 2HG1 ILE 15 -2.639 -2.399 -6.363 139 HG13 ILE 15 3HG1 ILE 15 -1.258 -1.308 -6.380 140 HG21 ILE 15 1HG2 ILE 15 -2.792 -3.193 -9.831 141 HG22 ILE 15 2HG2 ILE 15 -3.820 -2.566 -8.544 142 HG23 ILE 15 3HG2 ILE 15 -3.145 -1.468 -9.748 143 HD11 ILE 15 3HD1 ILE 15 -4.071 -0.770 -7.256 144 HD12 ILE 15 1HD1 ILE 15 -3.124 0.051 -6.016 145 HD13 ILE 15 2HD1 ILE 15 -2.726 0.271 -7.720 146 H THR 16 H THR 16 1.344 -2.425 -8.331 147 HA THR 16 HA THR 16 1.931 -2.708 -5.460 148 HB THR 16 HB THR 16 3.178 -4.459 -6.542 149 HG1 THR 16 HG1 THR 16 4.636 -3.800 -5.151 150 HG21 THR 16 3HG2 THR 16 3.796 -2.318 -8.516 151 HG22 THR 16 1HG2 THR 16 3.407 -4.017 -8.779 152 HG23 THR 16 2HG2 THR 16 5.016 -3.557 -8.223 153 H SER 17 H SER 17 0.980 -0.388 -6.015 154 HA SER 17 HA SER 17 3.063 1.448 -5.558 155 HB2 SER 17 2HB SER 17 3.718 1.497 -7.782 156 HB3 SER 17 3HB SER 17 2.087 1.191 -8.377 157 HG SER 17 HG SER 17 2.848 3.378 -8.683 158 H LEU 18 H LEU 18 1.624 1.950 -3.873 159 HA LEU 18 HA LEU 18 -0.863 3.299 -4.672 160 HB2 LEU 18 2HB LEU 18 -0.399 1.373 -2.746 161 HB3 LEU 18 3HB LEU 18 -0.490 2.870 -1.821 162 HG LEU 18 HG LEU 18 -2.715 3.298 -2.644 163 HD11 LEU 18 1HD1 LEU 18 -3.826 1.463 -4.017 164 HD12 LEU 18 2HD1 LEU 18 -2.193 0.908 -4.383 165 HD13 LEU 18 3HD1 LEU 18 -2.700 2.529 -4.857 166 HD21 LEU 18 3HD2 LEU 18 -2.616 1.932 -0.682 167 HD22 LEU 18 1HD2 LEU 18 -2.318 0.483 -1.643 168 HD23 LEU 18 2HD2 LEU 18 -3.883 1.292 -1.730 169 H THR 19 H THR 19 -1.439 5.284 -3.617 170 HA THR 19 HA THR 19 0.886 6.973 -3.149 171 HB THR 19 HB THR 19 -1.795 8.189 -2.966 172 HG1 THR 19 HG1 THR 19 -2.350 6.854 -4.616 173 HG21 THR 19 3HG2 THR 19 0.870 8.935 -3.621 174 HG22 THR 19 1HG2 THR 19 -0.548 9.969 -3.449 175 HG23 THR 19 2HG2 THR 19 -0.151 9.268 -5.019 176 H ASP 20 H ASP 20 0.347 8.830 -1.467 177 HA ASP 20 HA ASP 20 -0.550 7.515 1.015 178 HB2 ASP 20 2HB ASP 20 1.112 9.291 2.046 179 HB3 ASP 20 3HB ASP 20 1.702 7.743 1.445 180 H ASP 21 H ASP 21 -1.482 9.692 -1.155 181 HA ASP 21 HA ASP 21 -2.361 11.739 0.742 182 HB2 ASP 21 2HB ASP 21 -1.669 11.735 -2.040 183 HB3 ASP 21 3HB ASP 21 -3.329 12.297 -1.863 184 H ASN 22 H ASN 22 -3.747 9.623 -1.766 185 HA ASN 22 HA ASN 22 -6.326 9.799 -0.350 186 HB2 ASN 22 2HB ASN 22 -5.681 9.637 -3.280 187 HB3 ASN 22 3HB ASN 22 -7.239 9.078 -2.677 188 HD21 ASN 22 1HD2 ASN 22 -6.166 11.458 -4.310 189 HD22 ASN 22 2HD2 ASN 22 -6.985 12.810 -3.612 190 H THR 23 H THR 23 -4.188 7.683 -2.221 191 HA THR 23 HA THR 23 -3.884 5.427 -2.219 192 HB THR 23 HB THR 23 -5.202 5.644 0.493 193 HG1 THR 23 HG1 THR 23 -2.456 5.239 -0.118 194 HG21 THR 23 3HG2 THR 23 -5.283 3.416 0.517 195 HG22 THR 23 1HG2 THR 23 -3.525 3.397 0.390 196 HG23 THR 23 2HG2 THR 23 -4.515 3.325 -1.068 197 H ILE 24 H ILE 24 -6.861 5.319 -0.319 198 HA ILE 24 HA ILE 24 -8.038 3.405 -2.072 199 HB ILE 24 HB ILE 24 -9.419 5.001 0.086 200 HG12 ILE 24 2HG1 ILE 24 -8.924 2.558 1.184 201 HG13 ILE 24 3HG1 ILE 24 -7.475 2.784 0.211 202 HG21 ILE 24 1HG2 ILE 24 -10.261 2.256 -0.376 203 HG22 ILE 24 2HG2 ILE 24 -11.220 3.730 -0.257 204 HG23 ILE 24 3HG2 ILE 24 -10.472 3.287 -1.791 205 HD11 ILE 24 3HD1 ILE 24 -6.667 4.370 1.565 206 HD12 ILE 24 1HD1 ILE 24 -8.249 5.105 1.823 207 HD13 ILE 24 2HD1 ILE 24 -7.782 3.673 2.740 208 H ALA 25 H ALA 25 -8.765 6.813 -1.350 209 HA ALA 25 HA ALA 25 -10.927 7.116 -3.087 210 HB1 ALA 25 1HB ALA 25 -9.594 8.739 -1.330 211 HB2 ALA 25 2HB ALA 25 -9.228 9.481 -2.888 212 HB3 ALA 25 3HB ALA 25 -10.905 9.243 -2.397 213 H GLU 26 H GLU 26 -7.456 7.416 -3.668 214 HA GLU 26 HA GLU 26 -7.686 8.406 -6.319 215 HB2 GLU 26 2HB GLU 26 -5.640 8.720 -5.053 216 HB3 GLU 26 3HB GLU 26 -5.413 6.981 -4.929 217 HG2 GLU 26 2HG GLU 26 -4.251 6.996 -6.804 218 HG3 GLU 26 3HG GLU 26 -5.653 7.615 -7.674 219 H LEU 27 H LEU 27 -7.376 5.175 -4.937 220 HA LEU 27 HA LEU 27 -7.032 3.799 -7.384 221 HB2 LEU 27 2HB LEU 27 -7.251 3.155 -4.622 222 HB3 LEU 27 3HB LEU 27 -8.377 2.137 -5.517 223 HG LEU 27 HG LEU 27 -5.391 2.319 -5.895 224 HD11 LEU 27 1HD1 LEU 27 -5.685 -0.186 -5.395 225 HD12 LEU 27 2HD1 LEU 27 -7.254 0.278 -4.739 226 HD13 LEU 27 3HD1 LEU 27 -5.777 0.954 -4.052 227 HD21 LEU 27 3HD2 LEU 27 -7.494 1.465 -7.713 228 HD22 LEU 27 1HD2 LEU 27 -6.314 0.195 -7.386 229 HD23 LEU 27 2HD2 LEU 27 -5.780 1.753 -8.017 230 H LYS 28 H LYS 28 -9.908 4.362 -5.368 231 HA LYS 28 HA LYS 28 -11.726 3.048 -7.081 232 HB2 LYS 28 2HB LYS 28 -13.469 4.158 -5.794 233 HB3 LYS 28 3HB LYS 28 -12.215 3.551 -4.721 234 HG2 LYS 28 2HG LYS 28 -11.247 5.836 -4.650 235 HG3 LYS 28 3HG LYS 28 -12.625 6.401 -5.596 236 HD2 LYS 28 2HD LYS 28 -12.819 5.028 -2.916 237 HD3 LYS 28 3HD LYS 28 -12.893 6.774 -3.161 238 HE2 LYS 28 2HE LYS 28 -14.756 5.782 -4.944 239 HE3 LYS 28 3HE LYS 28 -14.944 4.745 -3.531 240 HZ1 LYS 28 3HZ LYS 28 -14.719 7.534 -2.879 241 HZ2 LYS 28 1HZ LYS 28 -15.857 6.393 -2.365 242 HZ3 LYS 28 2HZ LYS 28 -16.065 7.188 -3.843 243 H GLY 29 H GLY 29 -10.656 6.410 -6.860 244 HA2 GLY 29 2HA GLY 29 -12.499 7.448 -8.750 245 HA3 GLY 29 3HA GLY 29 -11.001 8.214 -8.242 246 H LYS 30 H LYS 30 -9.318 5.993 -9.062 247 HA LYS 30 HA LYS 30 -8.931 6.760 -11.783 248 HB2 LYS 30 2HB LYS 30 -7.587 4.903 -9.872 249 HB3 LYS 30 3HB LYS 30 -7.257 4.713 -11.589 250 HG2 LYS 30 2HG LYS 30 -7.053 7.473 -10.939 251 HG3 LYS 30 3HG LYS 30 -6.113 6.545 -9.768 252 HD2 LYS 30 2HD LYS 30 -5.186 5.307 -11.837 253 HD3 LYS 30 3HD LYS 30 -5.815 6.681 -12.749 254 HE2 LYS 30 2HE LYS 30 -4.508 7.986 -10.800 255 HE3 LYS 30 3HE LYS 30 -3.533 6.519 -10.878 256 HZ1 LYS 30 3HZ LYS 30 -3.015 6.912 -13.118 257 HZ2 LYS 30 1HZ LYS 30 -2.834 8.415 -12.361 258 HZ3 LYS 30 2HZ LYS 30 -4.211 8.096 -13.290 259 H LEU 31 H LEU 31 -10.334 3.979 -10.163 260 HA LEU 31 HA LEU 31 -10.518 2.321 -12.461 261 HB2 LEU 31 2HB LEU 31 -10.723 1.753 -9.928 262 HB3 LEU 31 3HB LEU 31 -12.425 2.140 -10.166 263 HG LEU 31 HG LEU 31 -11.154 0.161 -11.993 264 HD11 LEU 31 1HD1 LEU 31 -10.377 -0.540 -9.794 265 HD12 LEU 31 2HD1 LEU 31 -11.605 -1.645 -10.412 266 HD13 LEU 31 3HD1 LEU 31 -12.027 -0.461 -9.175 267 HD21 LEU 31 3HD2 LEU 31 -13.271 -0.105 -12.596 268 HD22 LEU 31 1HD2 LEU 31 -13.754 1.130 -11.433 269 HD23 LEU 31 2HD2 LEU 31 -13.701 -0.565 -10.947 270 H GLU 32 H GLU 32 -12.771 4.555 -10.883 271 HA GLU 32 HA GLU 32 -14.956 4.022 -12.610 272 HB2 GLU 32 2HB GLU 32 -15.897 6.128 -11.701 273 HB3 GLU 32 3HB GLU 32 -15.335 5.031 -10.447 274 HG2 GLU 32 2HG GLU 32 -13.264 6.344 -10.259 275 HG3 GLU 32 3HG GLU 32 -13.890 7.467 -11.465 276 H GLU 33 H GLU 33 -12.362 6.420 -12.646 277 HA GLU 33 HA GLU 33 -13.352 7.904 -14.851 278 HB2 GLU 33 2HB GLU 33 -11.518 8.496 -13.079 279 HB3 GLU 33 3HB GLU 33 -10.429 7.722 -14.221 280 HG2 GLU 33 2HG GLU 33 -10.446 10.104 -14.575 281 HG3 GLU 33 3HG GLU 33 -11.159 9.282 -15.963 282 H SER 34 H SER 34 -11.270 5.094 -14.554 283 HA SER 34 HA SER 34 -10.287 5.050 -17.192 284 HB2 SER 34 2HB SER 34 -9.520 2.860 -16.723 285 HB3 SER 34 3HB SER 34 -9.474 3.697 -15.171 286 HG SER 34 HG SER 34 -11.125 1.636 -16.038 287 H GLU 35 H GLU 35 -13.122 3.522 -15.707 288 HA GLU 35 HA GLU 35 -13.967 2.340 -18.196 289 HB2 GLU 35 2HB GLU 35 -15.087 2.460 -15.418 290 HB3 GLU 35 3HB GLU 35 -16.106 1.937 -16.751 291 HG2 GLU 35 2HG GLU 35 -13.443 0.664 -16.437 292 HG3 GLU 35 3HG GLU 35 -14.723 0.227 -15.307 293 H GLY 36 H GLY 36 -14.069 5.423 -16.988 294 HA2 GLY 36 2HA GLY 36 -15.012 7.263 -18.104 295 HA3 GLY 36 3HA GLY 36 -16.128 6.172 -18.913 296 H ILE 37 H ILE 37 -17.234 4.854 -16.739 297 HA ILE 37 HA ILE 37 -18.364 6.968 -15.053 298 HB ILE 37 HB ILE 37 -20.645 5.897 -15.391 299 HG12 ILE 37 2HG1 ILE 37 -19.422 3.940 -16.683 300 HG13 ILE 37 3HG1 ILE 37 -21.050 4.440 -17.129 301 HG21 ILE 37 1HG2 ILE 37 -19.284 7.441 -17.585 302 HG22 ILE 37 2HG2 ILE 37 -21.021 7.146 -17.545 303 HG23 ILE 37 3HG2 ILE 37 -20.255 8.070 -16.254 304 HD11 ILE 37 3HD1 ILE 37 -18.738 5.728 -18.481 305 HD12 ILE 37 1HD1 ILE 37 -19.195 4.087 -18.939 306 HD13 ILE 37 2HD1 ILE 37 -20.363 5.402 -19.083 307 HA PRO 38 HA PRO 38 -18.080 4.023 -11.810 308 HB2 PRO 38 2HB PRO 38 -20.174 4.755 -10.246 309 HB3 PRO 38 3HB PRO 38 -18.695 5.713 -10.381 310 HG2 PRO 38 2HG PRO 38 -21.329 6.092 -11.752 311 HG3 PRO 38 3HG PRO 38 -20.269 7.305 -11.013 312 HD2 PRO 38 2HD PRO 38 -20.349 6.875 -13.685 313 HD3 PRO 38 3HD PRO 38 -18.870 7.381 -12.843 314 H GLY 39 H GLY 39 -18.753 1.987 -11.360 315 HA2 GLY 39 2HA GLY 39 -20.582 0.664 -12.984 316 HA3 GLY 39 3HA GLY 39 -19.993 0.058 -11.443 317 H ASN 40 H ASN 40 -21.044 1.878 -9.674 318 HA ASN 40 HA ASN 40 -23.688 2.629 -9.978 319 HB2 ASN 40 2HB ASN 40 -23.439 -0.198 -9.875 320 HB3 ASN 40 3HB ASN 40 -24.153 0.320 -8.350 321 HD21 ASN 40 1HD2 ASN 40 -24.682 -0.300 -11.624 322 HD22 ASN 40 2HD2 ASN 40 -26.309 0.274 -11.724 323 H MET 41 H MET 41 -22.258 0.583 -7.436 324 HA MET 41 HA MET 41 -22.624 2.812 -5.558 325 HB2 MET 41 2HB MET 41 -22.553 -0.168 -5.226 326 HB3 MET 41 3HB MET 41 -22.211 0.880 -3.856 327 HG2 MET 41 2HG MET 41 -24.454 2.023 -4.542 328 HG3 MET 41 3HG MET 41 -24.753 0.489 -5.356 329 HE1 MET 41 3HE MET 41 -27.038 0.701 -3.381 330 HE2 MET 41 1HE MET 41 -26.599 0.961 -1.692 331 HE3 MET 41 2HE MET 41 -26.152 2.154 -2.913 332 H ILE 42 H ILE 42 -20.284 0.401 -6.652 333 HA ILE 42 HA ILE 42 -18.023 0.239 -6.423 334 HB ILE 42 HB ILE 42 -17.954 3.219 -6.046 335 HG12 ILE 42 2HG1 ILE 42 -17.773 2.913 -8.743 336 HG13 ILE 42 3HG1 ILE 42 -18.954 1.668 -8.350 337 HG21 ILE 42 1HG2 ILE 42 -15.843 1.990 -5.917 338 HG22 ILE 42 2HG2 ILE 42 -16.146 1.305 -7.513 339 HG23 ILE 42 3HG2 ILE 42 -15.893 3.041 -7.333 340 HD11 ILE 42 3HD1 ILE 42 -19.257 4.535 -8.471 341 HD12 ILE 42 1HD1 ILE 42 -20.483 3.268 -8.437 342 HD13 ILE 42 2HD1 ILE 42 -19.806 3.882 -6.928 343 H ARG 43 H ARG 43 -19.111 -0.475 -4.135 344 HA ARG 43 HA ARG 43 -17.597 0.955 -2.050 345 HB2 ARG 43 2HB ARG 43 -20.121 -0.689 -1.785 346 HB3 ARG 43 3HB ARG 43 -19.236 0.018 -0.440 347 HG2 ARG 43 2HG ARG 43 -20.395 1.640 -2.691 348 HG3 ARG 43 3HG ARG 43 -21.257 1.290 -1.191 349 HD2 ARG 43 2HD ARG 43 -19.677 2.484 0.104 350 HD3 ARG 43 3HD ARG 43 -18.538 2.574 -1.239 351 HE ARG 43 HE ARG 43 -20.996 3.860 -1.867 352 HH11 ARG 43 1HH1 ARG 43 -18.019 4.253 -0.105 353 HH12 ARG 43 2HH1 ARG 43 -18.043 5.983 -0.195 354 HH21 ARG 43 1HH2 ARG 43 -21.038 6.138 -1.991 355 HH22 ARG 43 2HH2 ARG 43 -19.761 7.054 -1.267 356 H LEU 44 H LEU 44 -15.838 -0.098 -1.432 357 HA LEU 44 HA LEU 44 -15.786 -3.029 -1.638 358 HB2 LEU 44 2HB LEU 44 -13.335 -2.795 -1.533 359 HB3 LEU 44 3HB LEU 44 -14.054 -1.960 -2.909 360 HG LEU 44 HG LEU 44 -13.510 -0.380 -0.449 361 HD11 LEU 44 1HD1 LEU 44 -11.200 -0.113 -1.935 362 HD12 LEU 44 2HD1 LEU 44 -11.478 -1.854 -1.903 363 HD13 LEU 44 3HD1 LEU 44 -11.360 -0.952 -0.392 364 HD21 LEU 44 3HD2 LEU 44 -12.681 1.082 -2.544 365 HD22 LEU 44 1HD2 LEU 44 -14.355 1.041 -1.988 366 HD23 LEU 44 2HD2 LEU 44 -13.854 0.039 -3.351 367 H VAL 45 H VAL 45 -14.767 -4.250 0.064 368 HA VAL 45 HA VAL 45 -15.006 -2.938 2.694 369 HB VAL 45 HB VAL 45 -16.722 -4.660 2.331 370 HG11 VAL 45 1HG1 VAL 45 -16.319 -6.693 1.487 371 HG12 VAL 45 2HG1 VAL 45 -14.763 -6.026 0.988 372 HG13 VAL 45 3HG1 VAL 45 -14.893 -6.930 2.497 373 HG21 VAL 45 3HG2 VAL 45 -16.135 -4.356 4.588 374 HG22 VAL 45 1HG2 VAL 45 -16.106 -6.102 4.340 375 HG23 VAL 45 2HG2 VAL 45 -14.595 -5.192 4.387 376 H TYR 46 H TYR 46 -13.256 -2.891 3.949 377 HA TYR 46 HA TYR 46 -10.945 -4.533 3.156 378 HB2 TYR 46 2HB TYR 46 -11.056 -1.824 3.379 379 HB3 TYR 46 3HB TYR 46 -10.500 -2.264 4.990 380 HD1 TYR 46 HD1 TYR 46 -8.669 -4.386 4.701 381 HD2 TYR 46 HD2 TYR 46 -9.316 -1.124 2.047 382 HE1 TYR 46 HE1 TYR 46 -6.376 -4.634 3.846 383 HE2 TYR 46 HE2 TYR 46 -7.026 -1.364 1.184 384 HH TYR 46 HH TYR 46 -4.830 -2.304 2.029 385 H GLN 47 H GLN 47 -10.608 -6.229 4.416 386 HA GLN 47 HA GLN 47 -10.526 -7.605 6.228 387 HB2 GLN 47 2HB GLN 47 -9.191 -5.302 6.894 388 HB3 GLN 47 3HB GLN 47 -10.332 -5.463 8.223 389 HG2 GLN 47 2HG GLN 47 -8.750 -6.750 9.129 390 HG3 GLN 47 3HG GLN 47 -9.385 -7.992 8.052 391 HE21 GLN 47 1HE2 GLN 47 -8.282 -8.422 6.098 392 HE22 GLN 47 2HE2 GLN 47 -6.611 -8.026 5.914 393 H GLY 48 H GLY 48 -13.121 -6.704 5.388 394 HA2 GLY 48 2HA GLY 48 -15.259 -7.198 6.149 395 HA3 GLY 48 3HA GLY 48 -14.599 -7.438 7.760 396 H LYS 49 H LYS 49 -13.497 -4.531 6.583 397 HA LYS 49 HA LYS 49 -15.584 -3.084 8.066 398 HB2 LYS 49 2HB LYS 49 -12.736 -2.961 8.119 399 HB3 LYS 49 3HB LYS 49 -13.336 -1.420 7.522 400 HG2 LYS 49 2HG LYS 49 -13.832 -0.803 9.584 401 HG3 LYS 49 3HG LYS 49 -14.923 -2.180 9.749 402 HD2 LYS 49 2HD LYS 49 -11.945 -2.297 10.215 403 HD3 LYS 49 3HD LYS 49 -13.147 -2.087 11.491 404 HE2 LYS 49 2HE LYS 49 -13.857 -4.315 9.827 405 HE3 LYS 49 3HE LYS 49 -12.197 -4.494 10.392 406 HZ1 LYS 49 3HZ LYS 49 -13.781 -5.485 11.929 407 HZ2 LYS 49 1HZ LYS 49 -14.559 -3.995 12.123 408 HZ3 LYS 49 2HZ LYS 49 -12.966 -4.193 12.657 409 H GLN 50 H GLN 50 -16.266 -1.001 7.269 410 HA GLN 50 HA GLN 50 -16.090 -0.811 4.334 411 HB2 GLN 50 2HB GLN 50 -18.346 0.275 6.010 412 HB3 GLN 50 3HB GLN 50 -18.311 0.024 4.270 413 HG2 GLN 50 2HG GLN 50 -17.887 -2.494 5.123 414 HG3 GLN 50 3HG GLN 50 -18.869 -1.869 6.447 415 HE21 GLN 50 1HE2 GLN 50 -20.998 -1.803 6.193 416 HE22 GLN 50 2HE2 GLN 50 -21.839 -2.051 4.704 417 H LEU 51 H LEU 51 -16.240 1.359 3.426 418 HA LEU 51 HA LEU 51 -15.541 3.513 3.231 419 HB2 LEU 51 2HB LEU 51 -15.886 3.869 6.183 420 HB3 LEU 51 3HB LEU 51 -16.137 5.037 4.887 421 HG LEU 51 HG LEU 51 -17.921 2.662 5.415 422 HD11 LEU 51 1HD1 LEU 51 -19.497 4.613 6.096 423 HD12 LEU 51 2HD1 LEU 51 -17.992 5.483 6.392 424 HD13 LEU 51 3HD1 LEU 51 -18.329 3.985 7.259 425 HD21 LEU 51 3HD2 LEU 51 -18.718 5.062 3.850 426 HD22 LEU 51 1HD2 LEU 51 -19.256 3.388 3.709 427 HD23 LEU 51 2HD2 LEU 51 -17.678 3.863 3.080 428 H GLU 52 H GLU 52 -13.427 3.440 2.723 429 HA GLU 52 HA GLU 52 -11.506 3.453 4.957 430 HB2 GLU 52 2HB GLU 52 -10.860 2.384 2.218 431 HB3 GLU 52 3HB GLU 52 -9.957 2.172 3.712 432 HG2 GLU 52 2HG GLU 52 -10.935 0.176 3.801 433 HG3 GLU 52 3HG GLU 52 -12.359 1.058 4.351 434 H ASP 53 H ASP 53 -12.872 5.254 2.587 435 HA ASP 53 HA ASP 53 -10.822 6.553 1.257 436 HB2 ASP 53 2HB ASP 53 -13.538 6.846 1.383 437 HB3 ASP 53 3HB ASP 53 -12.988 8.327 2.162 438 H GLU 54 H GLU 54 -12.109 7.148 4.494 439 HA GLU 54 HA GLU 54 -10.600 9.487 5.006 440 HB2 GLU 54 2HB GLU 54 -12.518 9.075 6.358 441 HB3 GLU 54 3HB GLU 54 -11.931 7.484 6.824 442 HG2 GLU 54 2HG GLU 54 -10.316 8.370 8.259 443 HG3 GLU 54 3HG GLU 54 -10.434 9.976 7.543 444 H LYS 55 H LYS 55 -9.807 6.145 5.000 445 HA LYS 55 HA LYS 55 -7.383 6.570 6.580 446 HB2 LYS 55 2HB LYS 55 -8.855 4.148 5.606 447 HB3 LYS 55 3HB LYS 55 -7.161 4.015 6.057 448 HG2 LYS 55 2HG LYS 55 -8.239 3.445 8.010 449 HG3 LYS 55 3HG LYS 55 -7.911 5.162 8.255 450 HD2 LYS 55 2HD LYS 55 -10.091 5.679 8.298 451 HD3 LYS 55 3HD LYS 55 -10.450 4.651 6.909 452 HE2 LYS 55 2HE LYS 55 -11.609 3.520 8.510 453 HE3 LYS 55 3HE LYS 55 -10.041 2.735 8.691 454 HZ1 LYS 55 3HZ LYS 55 -10.443 3.268 10.842 455 HZ2 LYS 55 1HZ LYS 55 -11.393 4.616 10.468 456 HZ3 LYS 55 2HZ LYS 55 -9.708 4.719 10.376 457 H ARG 56 H ARG 56 -7.535 7.885 4.078 458 HA ARG 56 HA ARG 56 -6.459 6.658 1.881 459 HB2 ARG 56 2HB ARG 56 -5.197 8.978 1.644 460 HB3 ARG 56 3HB ARG 56 -6.940 8.853 1.448 461 HG2 ARG 56 2HG ARG 56 -6.086 9.320 4.204 462 HG3 ARG 56 3HG ARG 56 -5.660 10.614 3.082 463 HD2 ARG 56 2HD ARG 56 -8.216 10.104 2.337 464 HD3 ARG 56 3HD ARG 56 -8.292 9.742 4.061 465 HE ARG 56 HE ARG 56 -8.045 12.319 2.856 466 HH11 ARG 56 1HH1 ARG 56 -7.239 10.441 5.675 467 HH12 ARG 56 2HH1 ARG 56 -7.134 11.817 6.722 468 HH21 ARG 56 1HH2 ARG 56 -7.910 14.139 4.225 469 HH22 ARG 56 2HH2 ARG 56 -7.517 13.920 5.897 470 H LEU 57 H LEU 57 -4.302 8.697 3.810 471 HA LEU 57 HA LEU 57 -1.973 7.345 3.035 472 HB2 LEU 57 2HB LEU 57 -2.324 9.690 4.099 473 HB3 LEU 57 3HB LEU 57 -2.160 8.827 5.627 474 HG LEU 57 HG LEU 57 -0.050 8.597 3.511 475 HD11 LEU 57 1HD1 LEU 57 0.423 10.565 5.630 476 HD12 LEU 57 2HD1 LEU 57 -0.783 11.043 4.437 477 HD13 LEU 57 3HD1 LEU 57 0.846 10.610 3.918 478 HD21 LEU 57 3HD2 LEU 57 1.176 8.585 5.916 479 HD22 LEU 57 1HD2 LEU 57 0.590 7.136 5.099 480 HD23 LEU 57 2HD2 LEU 57 -0.391 7.900 6.350 481 H LYS 58 H LYS 58 -4.122 6.904 5.775 482 HA LYS 58 HA LYS 58 -2.523 5.261 7.366 483 HB2 LYS 58 2HB LYS 58 -5.262 6.075 7.278 484 HB3 LYS 58 3HB LYS 58 -5.205 4.336 7.538 485 HG2 LYS 58 2HG LYS 58 -3.272 5.608 9.216 486 HG3 LYS 58 3HG LYS 58 -4.843 6.384 9.425 487 HD2 LYS 58 2HD LYS 58 -5.842 4.125 9.749 488 HD3 LYS 58 3HD LYS 58 -4.213 3.446 9.701 489 HE2 LYS 58 2HE LYS 58 -4.153 5.575 11.545 490 HE3 LYS 58 3HE LYS 58 -5.613 4.649 11.892 491 HZ1 LYS 58 3HZ LYS 58 -2.830 3.901 12.204 492 HZ2 LYS 58 1HZ LYS 58 -3.834 2.692 11.577 493 HZ3 LYS 58 2HZ LYS 58 -4.192 3.397 13.072 494 H ASP 59 H ASP 59 -4.218 4.601 4.415 495 HA ASP 59 HA ASP 59 -4.079 1.730 4.701 496 HB2 ASP 59 2HB ASP 59 -5.254 3.638 2.804 497 HB3 ASP 59 3HB ASP 59 -4.606 2.186 2.047 498 H TYR 60 H TYR 60 -1.980 4.199 3.711 499 HA TYR 60 HA TYR 60 -0.485 2.717 1.772 500 HB2 TYR 60 2HB TYR 60 -0.503 5.169 1.764 501 HB3 TYR 60 3HB TYR 60 0.264 5.190 3.347 502 HD1 TYR 60 HD2 TYR 60 0.866 3.630 -0.003 503 HD2 TYR 60 HD1 TYR 60 2.521 5.635 3.366 504 HE1 TYR 60 HE2 TYR 60 3.077 3.605 -1.081 505 HE2 TYR 60 HE1 TYR 60 4.736 5.616 2.297 506 HH TYR 60 HH TYR 60 5.703 5.449 0.070 507 H GLN 61 H GLN 61 -0.620 2.752 5.176 508 HA GLN 61 HA GLN 61 2.091 1.824 5.580 509 HB2 GLN 61 2HB GLN 61 0.092 2.983 7.200 510 HB3 GLN 61 3HB GLN 61 0.388 1.377 7.853 511 HG2 GLN 61 2HG GLN 61 2.678 1.842 8.209 512 HG3 GLN 61 3HG GLN 61 2.594 3.326 7.262 513 HE21 GLN 61 1HE2 GLN 61 1.521 5.135 8.143 514 HE22 GLN 61 2HE2 GLN 61 1.292 5.295 9.847 515 H MET 62 H MET 62 -0.690 0.424 4.473 516 HA MET 62 HA MET 62 -0.379 -2.135 5.798 517 HB2 MET 62 2HB MET 62 -2.143 -1.578 3.423 518 HB3 MET 62 3HB MET 62 -2.337 -2.812 4.661 519 HG2 MET 62 2HG MET 62 -2.659 0.155 5.048 520 HG3 MET 62 3HG MET 62 -3.958 -1.030 4.934 521 HE1 MET 62 3HE MET 62 -3.999 -3.004 7.960 522 HE2 MET 62 1HE MET 62 -5.072 -1.622 7.730 523 HE3 MET 62 2HE MET 62 -4.589 -2.603 6.346 524 H SER 63 H SER 63 -0.569 -1.283 2.340 525 HA SER 63 HA SER 63 0.448 -2.172 0.507 526 HB2 SER 63 2HB SER 63 2.827 -2.627 2.313 527 HB3 SER 63 3HB SER 63 2.831 -2.327 0.575 528 HG SER 63 HG SER 63 2.419 -0.541 2.695 529 H ALA 64 H ALA 64 -0.984 -3.975 2.371 530 HA ALA 64 HA ALA 64 -0.417 -6.422 1.084 531 HB1 ALA 64 1HB ALA 64 0.234 -6.650 3.984 532 HB2 ALA 64 2HB ALA 64 0.720 -7.677 2.634 533 HB3 ALA 64 3HB ALA 64 1.479 -6.101 2.862 534 H GLY 65 H GLY 65 -2.744 -5.130 1.268 535 HA2 GLY 65 2HA GLY 65 -4.297 -6.834 3.107 536 HA3 GLY 65 3HA GLY 65 -4.635 -5.114 2.989 537 H ALA 66 H ALA 66 -5.675 -8.049 2.012 538 HA ALA 66 HA ALA 66 -6.243 -7.731 -0.720 539 HB1 ALA 66 1HB ALA 66 -7.246 -9.464 1.463 540 HB2 ALA 66 2HB ALA 66 -8.241 -9.329 0.012 541 HB3 ALA 66 3HB ALA 66 -6.574 -9.893 -0.110 542 H THR 67 H THR 67 -7.905 -6.809 -1.821 543 HA THR 67 HA THR 67 -9.921 -5.354 -0.237 544 HB THR 67 HB THR 67 -9.584 -4.092 -2.772 545 HG1 THR 67 HG1 THR 67 -7.182 -4.536 -1.307 546 HG21 THR 67 3HG2 THR 67 -9.247 -2.132 -1.455 547 HG22 THR 67 1HG2 THR 67 -8.732 -3.081 -0.061 548 HG23 THR 67 2HG2 THR 67 -10.413 -3.137 -0.595 549 H PHE 68 H PHE 68 -12.014 -5.418 -0.933 550 HA PHE 68 HA PHE 68 -12.572 -6.900 -3.412 551 HB2 PHE 68 2HB PHE 68 -12.980 -8.509 -1.720 552 HB3 PHE 68 3HB PHE 68 -13.769 -7.329 -0.679 553 HD1 PHE 68 HD2 PHE 68 -16.059 -6.641 -1.091 554 HD2 PHE 68 HD1 PHE 68 -14.153 -9.548 -3.546 555 HE1 PHE 68 HE2 PHE 68 -18.248 -7.305 -1.997 556 HE2 PHE 68 HE1 PHE 68 -16.339 -10.217 -4.457 557 HZ PHE 68 HZ PHE 68 -18.390 -9.096 -3.682 558 H HIS 69 H HIS 69 -13.580 -5.563 -4.749 559 HA HIS 69 HA HIS 69 -15.189 -3.374 -3.701 560 HB2 HIS 69 2HB HIS 69 -14.214 -4.063 -6.474 561 HB3 HIS 69 3HB HIS 69 -15.314 -2.726 -6.153 562 HD1 HIS 69 HD1 HIS 69 -12.278 -3.662 -4.091 563 HD2 HIS 69 HD2 HIS 69 -13.631 -0.617 -6.573 564 HE1 HIS 69 HE1 HIS 69 -10.556 -1.838 -3.917 565 H MET 70 H MET 70 -17.363 -3.068 -4.138 566 HA MET 70 HA MET 70 -18.775 -5.337 -5.373 567 HB2 MET 70 2HB MET 70 -19.107 -5.604 -3.027 568 HB3 MET 70 3HB MET 70 -19.443 -3.891 -2.812 569 HG2 MET 70 2HG MET 70 -21.592 -4.096 -3.430 570 HG3 MET 70 3HG MET 70 -21.235 -5.304 -4.662 571 HE1 MET 70 3HE MET 70 -22.176 -4.871 -0.714 572 HE2 MET 70 1HE MET 70 -21.308 -6.312 -0.183 573 HE3 MET 70 2HE MET 70 -20.434 -4.994 -0.963 574 H VAL 71 H VAL 71 -20.239 -4.808 -6.877 575 HA VAL 71 HA VAL 71 -21.079 -1.987 -7.057 576 HB VAL 71 HB VAL 71 -20.499 -3.859 -9.358 577 HG11 VAL 71 1HG1 VAL 71 -21.447 -0.997 -9.321 578 HG12 VAL 71 2HG1 VAL 71 -20.894 -1.856 -10.760 579 HG13 VAL 71 3HG1 VAL 71 -22.338 -2.401 -9.906 580 HG21 VAL 71 3HG2 VAL 71 -18.985 -1.585 -8.131 581 HG22 VAL 71 1HG2 VAL 71 -18.411 -3.187 -8.593 582 HG23 VAL 71 2HG2 VAL 71 -18.779 -1.990 -9.835 583 H VAL 72 H VAL 72 -23.158 -1.896 -6.512 584 HA VAL 72 HA VAL 72 -24.936 -4.130 -7.104 585 HB VAL 72 HB VAL 72 -25.851 -1.614 -5.767 586 HG11 VAL 72 1HG1 VAL 72 -26.941 -4.160 -6.294 587 HG12 VAL 72 2HG1 VAL 72 -26.693 -4.058 -4.550 588 HG13 VAL 72 3HG1 VAL 72 -27.661 -2.837 -5.377 589 HG21 VAL 72 3HG2 VAL 72 -23.774 -2.088 -4.640 590 HG22 VAL 72 1HG2 VAL 72 -25.116 -2.557 -3.595 591 HG23 VAL 72 2HG2 VAL 72 -24.210 -3.789 -4.473 592 H ALA 73 H ALA 73 -25.632 -4.130 -9.159 593 HA ALA 73 HA ALA 73 -26.747 -1.618 -10.225 594 HB1 ALA 73 1HB ALA 73 -26.113 -2.266 -12.425 595 HB2 ALA 73 2HB ALA 73 -24.697 -2.465 -11.393 596 HB3 ALA 73 3HB ALA 73 -25.638 -3.875 -11.881 597 H LEU 74 H LEU 74 -28.817 -2.061 -9.385 598 HA LEU 74 HA LEU 74 -30.319 -4.000 -10.975 599 HB2 LEU 74 2HB LEU 74 -30.300 -3.856 -7.971 600 HB3 LEU 74 3HB LEU 74 -31.598 -4.623 -8.883 601 HG LEU 74 HG LEU 74 -29.568 -5.988 -9.909 602 HD11 LEU 74 1HD1 LEU 74 -27.628 -5.566 -8.915 603 HD12 LEU 74 2HD1 LEU 74 -28.291 -6.313 -7.462 604 HD13 LEU 74 3HD1 LEU 74 -28.401 -4.567 -7.683 605 HD21 LEU 74 3HD2 LEU 74 -31.625 -6.626 -8.393 606 HD22 LEU 74 1HD2 LEU 74 -30.372 -6.809 -7.164 607 HD23 LEU 74 2HD2 LEU 74 -30.294 -7.755 -8.651 608 H ARG 75 H ARG 75 -30.125 -1.151 -11.134 609 HA ARG 75 HA ARG 75 -32.907 -0.442 -10.481 610 HB2 ARG 75 2HB ARG 75 -30.389 1.082 -9.993 611 HB3 ARG 75 3HB ARG 75 -31.836 1.982 -10.427 612 HG2 ARG 75 2HG ARG 75 -32.793 1.655 -8.428 613 HG3 ARG 75 3HG ARG 75 -32.230 -0.014 -8.318 614 HD2 ARG 75 2HD ARG 75 -30.044 0.716 -7.625 615 HD3 ARG 75 3HD ARG 75 -30.481 2.404 -7.891 616 HE ARG 75 HE ARG 75 -31.551 2.416 -5.863 617 HH11 ARG 75 1HH1 ARG 75 -30.874 -0.870 -6.792 618 HH12 ARG 75 2HH1 ARG 75 -31.333 -1.536 -5.260 619 HH21 ARG 75 1HH2 ARG 75 -32.159 1.551 -3.841 620 HH22 ARG 75 2HH2 ARG 75 -32.065 -0.158 -3.582 621 H ALA 76 H ALA 76 -30.126 0.651 -12.433 622 HA ALA 76 HA ALA 76 -31.669 0.495 -14.856 623 HB1 ALA 76 1HB ALA 76 -31.552 2.841 -15.449 624 HB2 ALA 76 2HB ALA 76 -32.437 2.643 -13.936 625 HB3 ALA 76 3HB ALA 76 -30.769 3.214 -13.914 626 H GLY 77 H GLY 77 -30.371 1.115 -16.773 627 HA2 GLY 77 2HA GLY 77 -27.521 1.441 -16.404 628 HA3 GLY 77 3HA GLY 77 -27.993 -0.146 -16.994 629 H CYS 78 H CYS 78 -28.978 3.210 -17.702 630 HA CYS 78 HA CYS 78 -29.207 4.338 -19.662 631 HB2 CYS 78 2HB CYS 78 -26.714 3.530 -19.724 632 HB3 CYS 78 3HB CYS 78 -27.289 2.462 -20.998 633 HG CYS 78 HG CYS 78 -26.368 5.566 -21.231 Start of MODEL 14 1 H MET 1 H MET 1 1.720 -0.405 1.435 2 HA MET 1 HA MET 1 2.128 0.619 -1.017 3 HB2 MET 1 2HB MET 1 3.819 -0.455 0.586 4 HB3 MET 1 3HB MET 1 3.475 -1.963 -0.252 5 HG2 MET 1 2HG MET 1 4.557 -1.328 -2.139 6 HG3 MET 1 3HG MET 1 4.175 0.378 -1.917 7 HE1 MET 1 3HE MET 1 6.183 1.927 -1.731 8 HE2 MET 1 1HE MET 1 7.800 1.228 -1.647 9 HE3 MET 1 2HE MET 1 6.667 0.683 -2.884 10 H LEU 2 H LEU 2 1.739 -2.906 -0.610 11 HA LEU 2 HA LEU 2 0.662 -3.011 -3.344 12 HB2 LEU 2 2HB LEU 2 2.567 -4.375 -3.208 13 HB3 LEU 2 3HB LEU 2 2.094 -5.020 -1.637 14 HG LEU 2 HG LEU 2 0.328 -5.612 -3.950 15 HD11 LEU 2 1HD1 LEU 2 3.156 -6.316 -3.851 16 HD12 LEU 2 2HD1 LEU 2 2.007 -6.410 -5.185 17 HD13 LEU 2 3HD1 LEU 2 2.087 -7.711 -3.998 18 HD21 LEU 2 3HD2 LEU 2 -0.478 -7.131 -2.541 19 HD22 LEU 2 1HD2 LEU 2 0.542 -6.414 -1.294 20 HD23 LEU 2 2HD2 LEU 2 1.128 -7.789 -2.229 21 H LEU 3 H LEU 3 -1.412 -3.484 -3.642 22 HA LEU 3 HA LEU 3 -2.849 -5.019 -1.603 23 HB2 LEU 3 2HB LEU 3 -4.593 -3.493 -1.382 24 HB3 LEU 3 3HB LEU 3 -3.138 -2.501 -1.319 25 HG LEU 3 HG LEU 3 -4.864 -2.836 -3.770 26 HD11 LEU 3 1HD1 LEU 3 -6.308 -1.516 -2.695 27 HD12 LEU 3 2HD1 LEU 3 -5.116 -0.240 -2.938 28 HD13 LEU 3 3HD1 LEU 3 -5.152 -1.134 -1.418 29 HD21 LEU 3 3HD2 LEU 3 -2.501 -1.103 -3.097 30 HD22 LEU 3 1HD2 LEU 3 -3.606 -0.734 -4.421 31 HD23 LEU 3 2HD2 LEU 3 -2.683 -2.237 -4.436 32 H LYS 4 H LYS 4 -4.636 -6.177 -2.368 33 HA LYS 4 HA LYS 4 -4.765 -6.397 -5.301 34 HB2 LYS 4 2HB LYS 4 -3.993 -8.453 -4.368 35 HB3 LYS 4 3HB LYS 4 -5.237 -8.433 -3.125 36 HG2 LYS 4 2HG LYS 4 -6.389 -8.375 -5.775 37 HG3 LYS 4 3HG LYS 4 -5.325 -9.766 -5.553 38 HD2 LYS 4 2HD LYS 4 -7.417 -9.025 -3.526 39 HD3 LYS 4 3HD LYS 4 -7.785 -10.049 -4.916 40 HE2 LYS 4 2HE LYS 4 -5.650 -10.601 -2.858 41 HE3 LYS 4 3HE LYS 4 -7.245 -11.350 -2.894 42 HZ1 LYS 4 3HZ LYS 4 -6.009 -12.908 -3.985 43 HZ2 LYS 4 1HZ LYS 4 -4.951 -11.778 -4.669 44 HZ3 LYS 4 2HZ LYS 4 -6.506 -11.972 -5.304 45 H VAL 5 H VAL 5 -6.487 -5.405 -6.111 46 HA VAL 5 HA VAL 5 -8.962 -5.313 -4.534 47 HB VAL 5 HB VAL 5 -9.684 -3.539 -6.081 48 HG11 VAL 5 1HG1 VAL 5 -8.471 -1.852 -5.073 49 HG12 VAL 5 2HG1 VAL 5 -8.190 -3.207 -3.977 50 HG13 VAL 5 3HG1 VAL 5 -6.956 -2.751 -5.152 51 HG21 VAL 5 3HG2 VAL 5 -8.751 -3.465 -8.103 52 HG22 VAL 5 1HG2 VAL 5 -7.334 -2.746 -7.337 53 HG23 VAL 5 2HG2 VAL 5 -7.409 -4.489 -7.592 54 H LYS 6 H LYS 6 -10.664 -6.499 -5.096 55 HA LYS 6 HA LYS 6 -10.794 -7.566 -7.839 56 HB2 LYS 6 2HB LYS 6 -11.829 -9.621 -6.859 57 HB3 LYS 6 3HB LYS 6 -10.140 -9.392 -6.426 58 HG2 LYS 6 2HG LYS 6 -11.477 -8.129 -4.383 59 HG3 LYS 6 3HG LYS 6 -12.501 -9.523 -4.737 60 HD2 LYS 6 2HD LYS 6 -10.156 -10.764 -4.754 61 HD3 LYS 6 3HD LYS 6 -9.717 -9.417 -3.701 62 HE2 LYS 6 2HE LYS 6 -11.114 -10.091 -2.027 63 HE3 LYS 6 3HE LYS 6 -12.260 -10.841 -3.137 64 HZ1 LYS 6 3HZ LYS 6 -9.830 -11.949 -1.946 65 HZ2 LYS 6 1HZ LYS 6 -10.240 -12.459 -3.507 66 HZ3 LYS 6 2HZ LYS 6 -11.326 -12.685 -2.231 67 H THR 7 H THR 7 -12.614 -7.106 -8.883 68 HA THR 7 HA THR 7 -14.810 -5.875 -7.414 69 HB THR 7 HB THR 7 -15.141 -6.166 -10.314 70 HG1 THR 7 HG1 THR 7 -13.004 -4.556 -9.328 71 HG21 THR 7 3HG2 THR 7 -15.457 -4.101 -8.204 72 HG22 THR 7 1HG2 THR 7 -16.575 -4.602 -9.473 73 HG23 THR 7 2HG2 THR 7 -15.219 -3.541 -9.859 74 H VAL 8 H VAL 8 -17.066 -6.433 -8.121 75 HA VAL 8 HA VAL 8 -17.651 -9.100 -7.560 76 HB VAL 8 HB VAL 8 -19.477 -7.284 -9.126 77 HG11 VAL 8 1HG1 VAL 8 -21.089 -8.758 -8.670 78 HG12 VAL 8 2HG1 VAL 8 -19.794 -9.871 -8.223 79 HG13 VAL 8 3HG1 VAL 8 -20.593 -8.902 -6.984 80 HG21 VAL 8 3HG2 VAL 8 -20.296 -6.616 -6.795 81 HG22 VAL 8 1HG2 VAL 8 -18.745 -7.223 -6.215 82 HG23 VAL 8 2HG2 VAL 8 -18.794 -5.890 -7.369 83 H SER 9 H SER 9 -16.730 -7.613 -10.515 84 HA SER 9 HA SER 9 -17.838 -9.679 -12.208 85 HB2 SER 9 2HB SER 9 -16.755 -7.051 -12.583 86 HB3 SER 9 3HB SER 9 -15.881 -8.182 -13.616 87 HG SER 9 HG SER 9 -18.538 -7.385 -13.694 88 H ASN 10 H ASN 10 -15.598 -9.983 -10.044 89 HA ASN 10 HA ASN 10 -13.884 -11.445 -9.713 90 HB2 ASN 10 2HB ASN 10 -15.338 -12.551 -11.861 91 HB3 ASN 10 3HB ASN 10 -13.640 -12.651 -12.318 92 HD21 ASN 10 1HD2 ASN 10 -15.678 -14.677 -11.477 93 HD22 ASN 10 2HD2 ASN 10 -14.913 -15.560 -10.204 94 H LYS 11 H LYS 11 -13.544 -8.764 -10.922 95 HA LYS 11 HA LYS 11 -11.171 -9.084 -12.585 96 HB2 LYS 11 2HB LYS 11 -12.801 -6.689 -11.750 97 HB3 LYS 11 3HB LYS 11 -11.272 -6.534 -12.606 98 HG2 LYS 11 2HG LYS 11 -12.254 -7.987 -14.407 99 HG3 LYS 11 3HG LYS 11 -13.806 -7.822 -13.582 100 HD2 LYS 11 2HD LYS 11 -13.904 -5.515 -13.990 101 HD3 LYS 11 3HD LYS 11 -12.183 -5.421 -14.370 102 HE2 LYS 11 2HE LYS 11 -13.842 -7.185 -16.073 103 HE3 LYS 11 3HE LYS 11 -14.093 -5.448 -16.243 104 HZ1 LYS 11 3HZ LYS 11 -11.332 -5.988 -16.186 105 HZ2 LYS 11 1HZ LYS 11 -12.251 -5.312 -17.436 106 HZ3 LYS 11 2HZ LYS 11 -12.056 -6.990 -17.341 107 H VAL 12 H VAL 12 -9.743 -9.964 -11.036 108 HA VAL 12 HA VAL 12 -9.087 -8.336 -8.706 109 HB VAL 12 HB VAL 12 -7.869 -10.966 -9.554 110 HG11 VAL 12 1HG1 VAL 12 -6.380 -10.281 -7.999 111 HG12 VAL 12 2HG1 VAL 12 -7.512 -9.149 -7.256 112 HG13 VAL 12 3HG1 VAL 12 -7.610 -10.870 -6.881 113 HG21 VAL 12 3HG2 VAL 12 -9.516 -11.345 -7.323 114 HG22 VAL 12 1HG2 VAL 12 -10.464 -10.383 -8.458 115 HG23 VAL 12 2HG2 VAL 12 -9.785 -11.930 -8.965 116 H ILE 13 H ILE 13 -7.354 -7.050 -8.564 117 HA ILE 13 HA ILE 13 -5.232 -7.311 -10.582 118 HB ILE 13 HB ILE 13 -6.330 -4.654 -9.667 119 HG12 ILE 13 2HG1 ILE 13 -7.990 -5.899 -11.022 120 HG13 ILE 13 3HG1 ILE 13 -7.391 -4.465 -11.848 121 HG21 ILE 13 1HG2 ILE 13 -4.355 -5.430 -11.806 122 HG22 ILE 13 2HG2 ILE 13 -5.010 -3.808 -11.592 123 HG23 ILE 13 3HG2 ILE 13 -4.022 -4.534 -10.325 124 HD11 ILE 13 3HD1 ILE 13 -7.646 -6.709 -13.128 125 HD12 ILE 13 1HD1 ILE 13 -6.239 -5.685 -13.411 126 HD13 ILE 13 2HD1 ILE 13 -6.105 -7.100 -12.366 127 H GLN 14 H GLN 14 -3.357 -7.635 -9.604 128 HA GLN 14 HA GLN 14 -2.987 -6.647 -6.866 129 HB2 GLN 14 2HB GLN 14 -1.054 -8.248 -6.828 130 HB3 GLN 14 3HB GLN 14 -2.630 -9.003 -7.026 131 HG2 GLN 14 2HG GLN 14 -1.562 -8.427 -9.601 132 HG3 GLN 14 3HG GLN 14 -0.341 -9.270 -8.649 133 HE21 GLN 14 1HE2 GLN 14 -2.753 -9.732 -10.768 134 HE22 GLN 14 2HE2 GLN 14 -3.236 -11.335 -10.342 135 H ILE 15 H ILE 15 -1.999 -4.747 -6.736 136 HA ILE 15 HA ILE 15 0.219 -4.194 -8.598 137 HB ILE 15 HB ILE 15 -0.265 -1.794 -8.312 138 HG12 ILE 15 2HG1 ILE 15 -1.521 -2.340 -6.062 139 HG13 ILE 15 3HG1 ILE 15 -2.003 -0.958 -7.040 140 HG21 ILE 15 1HG2 ILE 15 -2.517 -1.846 -9.535 141 HG22 ILE 15 2HG2 ILE 15 -1.160 -2.700 -10.270 142 HG23 ILE 15 3HG2 ILE 15 -2.400 -3.600 -9.396 143 HD11 ILE 15 3HD1 ILE 15 -3.339 -3.558 -7.543 144 HD12 ILE 15 1HD1 ILE 15 -3.760 -2.665 -6.082 145 HD13 ILE 15 2HD1 ILE 15 -3.968 -1.915 -7.665 146 H THR 16 H THR 16 2.016 -3.025 -7.776 147 HA THR 16 HA THR 16 2.236 -3.002 -4.839 148 HB THR 16 HB THR 16 3.476 -4.929 -5.596 149 HG1 THR 16 HG1 THR 16 4.616 -4.016 -3.986 150 HG21 THR 16 3HG2 THR 16 4.142 -4.835 -7.749 151 HG22 THR 16 1HG2 THR 16 5.607 -4.121 -7.076 152 HG23 THR 16 2HG2 THR 16 4.334 -3.082 -7.718 153 H SER 17 H SER 17 1.508 -0.712 -5.821 154 HA SER 17 HA SER 17 3.676 1.038 -5.300 155 HB2 SER 17 2HB SER 17 4.435 0.658 -7.514 156 HB3 SER 17 3HB SER 17 2.798 0.712 -8.168 157 HG SER 17 HG SER 17 3.388 2.707 -8.586 158 H LEU 18 H LEU 18 1.816 1.393 -3.804 159 HA LEU 18 HA LEU 18 -0.245 3.127 -4.981 160 HB2 LEU 18 2HB LEU 18 -0.251 1.132 -2.884 161 HB3 LEU 18 3HB LEU 18 -0.911 2.666 -2.322 162 HG LEU 18 HG LEU 18 -2.590 1.008 -3.181 163 HD11 LEU 18 1HD1 LEU 18 -2.768 3.390 -4.937 164 HD12 LEU 18 2HD1 LEU 18 -2.664 3.660 -3.198 165 HD13 LEU 18 3HD1 LEU 18 -3.971 2.679 -3.860 166 HD21 LEU 18 3HD2 LEU 18 -2.821 0.722 -5.569 167 HD22 LEU 18 1HD2 LEU 18 -1.223 0.176 -5.060 168 HD23 LEU 18 2HD2 LEU 18 -1.408 1.738 -5.859 169 H THR 19 H THR 19 -0.794 5.100 -3.928 170 HA THR 19 HA THR 19 1.508 6.483 -2.884 171 HB THR 19 HB THR 19 -1.095 7.868 -2.800 172 HG1 THR 19 HG1 THR 19 0.038 7.183 -5.320 173 HG21 THR 19 3HG2 THR 19 1.062 8.877 -4.504 174 HG22 THR 19 1HG2 THR 19 1.544 8.600 -2.831 175 HG23 THR 19 2HG2 THR 19 0.190 9.670 -3.193 176 H ASP 20 H ASP 20 0.912 8.147 -1.028 177 HA ASP 20 HA ASP 20 -0.351 6.614 1.150 178 HB2 ASP 20 2HB ASP 20 1.354 8.109 2.550 179 HB3 ASP 20 3HB ASP 20 1.817 6.546 1.881 180 H ASP 21 H ASP 21 -0.945 9.062 -0.777 181 HA ASP 21 HA ASP 21 -1.750 10.997 1.265 182 HB2 ASP 21 2HB ASP 21 -0.937 11.174 -1.488 183 HB3 ASP 21 3HB ASP 21 -2.533 11.895 -1.296 184 H ASN 22 H ASN 22 -3.160 9.184 -1.453 185 HA ASN 22 HA ASN 22 -5.799 9.519 -0.184 186 HB2 ASN 22 2HB ASN 22 -4.987 9.420 -3.077 187 HB3 ASN 22 3HB ASN 22 -6.626 8.995 -2.591 188 HD21 ASN 22 1HD2 ASN 22 -6.197 11.081 -4.280 189 HD22 ASN 22 2HD2 ASN 22 -6.547 12.571 -3.480 190 H THR 23 H THR 23 -3.723 7.307 -2.010 191 HA THR 23 HA THR 23 -3.611 5.035 -2.099 192 HB THR 23 HB THR 23 -5.095 5.267 0.524 193 HG1 THR 23 HG1 THR 23 -2.901 4.671 1.265 194 HG21 THR 23 3HG2 THR 23 -4.052 2.903 0.808 195 HG22 THR 23 1HG2 THR 23 -4.030 2.889 -0.955 196 HG23 THR 23 2HG2 THR 23 -5.557 3.076 -0.094 197 H ILE 24 H ILE 24 -6.722 5.104 -0.426 198 HA ILE 24 HA ILE 24 -7.915 3.405 -2.393 199 HB ILE 24 HB ILE 24 -9.298 4.912 -0.173 200 HG12 ILE 24 2HG1 ILE 24 -9.070 2.360 0.727 201 HG13 ILE 24 3HG1 ILE 24 -7.562 2.519 -0.167 202 HG21 ILE 24 1HG2 ILE 24 -10.402 2.344 -0.806 203 HG22 ILE 24 2HG2 ILE 24 -11.169 3.931 -0.852 204 HG23 ILE 24 3HG2 ILE 24 -10.300 3.331 -2.264 205 HD11 ILE 24 3HD1 ILE 24 -6.655 3.745 1.438 206 HD12 ILE 24 1HD1 ILE 24 -8.047 4.826 1.496 207 HD13 ILE 24 2HD1 ILE 24 -8.052 3.331 2.432 208 H ALA 25 H ALA 25 -8.379 6.798 -1.442 209 HA ALA 25 HA ALA 25 -10.434 7.424 -3.225 210 HB1 ALA 25 1HB ALA 25 -9.030 8.787 -1.309 211 HB2 ALA 25 2HB ALA 25 -8.536 9.599 -2.795 212 HB3 ALA 25 3HB ALA 25 -10.246 9.485 -2.379 213 H GLU 26 H GLU 26 -6.934 7.403 -3.666 214 HA GLU 26 HA GLU 26 -6.943 8.615 -6.233 215 HB2 GLU 26 2HB GLU 26 -4.926 8.599 -4.895 216 HB3 GLU 26 3HB GLU 26 -4.905 6.841 -4.881 217 HG2 GLU 26 2HG GLU 26 -3.652 6.853 -6.696 218 HG3 GLU 26 3HG GLU 26 -4.956 7.642 -7.583 219 H LEU 27 H LEU 27 -7.022 5.264 -5.121 220 HA LEU 27 HA LEU 27 -6.753 4.067 -7.669 221 HB2 LEU 27 2HB LEU 27 -7.115 3.224 -4.978 222 HB3 LEU 27 3HB LEU 27 -8.319 2.411 -5.975 223 HG LEU 27 HG LEU 27 -6.212 1.123 -5.624 224 HD11 LEU 27 1HD1 LEU 27 -7.375 0.326 -7.428 225 HD12 LEU 27 2HD1 LEU 27 -5.866 0.805 -8.203 226 HD13 LEU 27 3HD1 LEU 27 -7.280 1.853 -8.306 227 HD21 LEU 27 3HD2 LEU 27 -4.937 3.063 -7.529 228 HD22 LEU 27 1HD2 LEU 27 -4.179 1.777 -6.590 229 HD23 LEU 27 2HD2 LEU 27 -4.775 3.226 -5.780 230 H LYS 28 H LYS 28 -9.613 4.764 -5.671 231 HA LYS 28 HA LYS 28 -11.504 3.799 -7.533 232 HB2 LYS 28 2HB LYS 28 -13.163 4.955 -6.184 233 HB3 LYS 28 3HB LYS 28 -12.001 4.145 -5.141 234 HG2 LYS 28 2HG LYS 28 -10.830 6.304 -4.840 235 HG3 LYS 28 3HG LYS 28 -12.098 7.084 -5.789 236 HD2 LYS 28 2HD LYS 28 -12.567 5.529 -3.246 237 HD3 LYS 28 3HD LYS 28 -12.432 7.286 -3.338 238 HE2 LYS 28 2HE LYS 28 -14.350 7.299 -4.911 239 HE3 LYS 28 3HE LYS 28 -14.513 5.559 -4.675 240 HZ1 LYS 28 3HZ LYS 28 -14.433 6.847 -2.170 241 HZ2 LYS 28 1HZ LYS 28 -15.680 5.925 -2.846 242 HZ3 LYS 28 2HZ LYS 28 -15.609 7.591 -3.132 243 H GLY 29 H GLY 29 -10.089 6.992 -6.994 244 HA2 GLY 29 2HA GLY 29 -11.764 8.389 -8.807 245 HA3 GLY 29 3HA GLY 29 -10.203 8.936 -8.214 246 H LYS 30 H LYS 30 -8.758 6.619 -9.208 247 HA LYS 30 HA LYS 30 -8.231 7.574 -11.846 248 HB2 LYS 30 2HB LYS 30 -7.152 5.367 -10.132 249 HB3 LYS 30 3HB LYS 30 -6.755 5.406 -11.845 250 HG2 LYS 30 2HG LYS 30 -6.370 7.919 -10.338 251 HG3 LYS 30 3HG LYS 30 -5.268 6.589 -9.974 252 HD2 LYS 30 2HD LYS 30 -4.133 6.953 -11.854 253 HD3 LYS 30 3HD LYS 30 -5.609 6.835 -12.816 254 HE2 LYS 30 2HE LYS 30 -6.065 9.240 -12.053 255 HE3 LYS 30 3HE LYS 30 -4.374 9.265 -11.555 256 HZ1 LYS 30 3HZ LYS 30 -5.292 9.865 -14.031 257 HZ2 LYS 30 1HZ LYS 30 -4.760 8.270 -14.222 258 HZ3 LYS 30 2HZ LYS 30 -3.694 9.455 -13.655 259 H LEU 31 H LEU 31 -9.916 4.798 -10.495 260 HA LEU 31 HA LEU 31 -10.247 3.404 -12.946 261 HB2 LEU 31 2HB LEU 31 -10.511 2.602 -10.485 262 HB3 LEU 31 3HB LEU 31 -12.168 3.174 -10.666 263 HG LEU 31 HG LEU 31 -10.990 1.200 -12.594 264 HD11 LEU 31 1HD1 LEU 31 -10.638 0.028 -10.621 265 HD12 LEU 31 2HD1 LEU 31 -12.246 -0.498 -11.118 266 HD13 LEU 31 3HD1 LEU 31 -12.068 0.708 -9.844 267 HD21 LEU 31 3HD2 LEU 31 -13.027 2.139 -13.344 268 HD22 LEU 31 1HD2 LEU 31 -13.766 1.995 -11.749 269 HD23 LEU 31 2HD2 LEU 31 -13.428 0.547 -12.698 270 H GLU 32 H GLU 32 -12.286 5.669 -11.140 271 HA GLU 32 HA GLU 32 -14.505 5.520 -12.897 272 HB2 GLU 32 2HB GLU 32 -15.281 7.558 -11.767 273 HB3 GLU 32 3HB GLU 32 -14.741 6.344 -10.616 274 HG2 GLU 32 2HG GLU 32 -12.600 7.529 -10.400 275 HG3 GLU 32 3HG GLU 32 -13.193 8.767 -11.505 276 H GLU 33 H GLU 33 -11.680 7.627 -12.730 277 HA GLU 33 HA GLU 33 -12.517 9.428 -14.753 278 HB2 GLU 33 2HB GLU 33 -10.638 9.671 -12.971 279 HB3 GLU 33 3HB GLU 33 -9.632 8.853 -14.159 280 HG2 GLU 33 2HG GLU 33 -9.394 11.269 -14.298 281 HG3 GLU 33 3HG GLU 33 -10.080 10.603 -15.779 282 H SER 34 H SER 34 -10.746 6.398 -14.781 283 HA SER 34 HA SER 34 -9.793 6.522 -17.428 284 HB2 SER 34 2HB SER 34 -8.939 4.911 -15.773 285 HB3 SER 34 3HB SER 34 -10.495 4.080 -15.778 286 HG SER 34 HG SER 34 -9.077 4.460 -18.180 287 H GLU 35 H GLU 35 -12.760 5.146 -16.054 288 HA GLU 35 HA GLU 35 -13.745 4.405 -18.675 289 HB2 GLU 35 2HB GLU 35 -14.760 4.105 -15.870 290 HB3 GLU 35 3HB GLU 35 -15.855 3.882 -17.227 291 HG2 GLU 35 2HG GLU 35 -13.265 2.417 -17.201 292 HG3 GLU 35 3HG GLU 35 -14.587 1.855 -16.179 293 H GLY 36 H GLY 36 -13.596 7.229 -16.953 294 HA2 GLY 36 2HA GLY 36 -14.452 9.289 -17.693 295 HA3 GLY 36 3HA GLY 36 -15.670 8.425 -18.620 296 H ILE 37 H ILE 37 -16.777 6.819 -16.649 297 HA ILE 37 HA ILE 37 -17.698 8.676 -14.576 298 HB ILE 37 HB ILE 37 -20.056 7.818 -14.977 299 HG12 ILE 37 2HG1 ILE 37 -19.285 7.363 -17.818 300 HG13 ILE 37 3HG1 ILE 37 -18.965 6.066 -16.672 301 HG21 ILE 37 1HG2 ILE 37 -19.352 9.381 -17.372 302 HG22 ILE 37 2HG2 ILE 37 -20.514 9.724 -16.091 303 HG23 ILE 37 3HG2 ILE 37 -18.799 10.040 -15.833 304 HD11 ILE 37 3HD1 ILE 37 -21.138 5.557 -16.445 305 HD12 ILE 37 1HD1 ILE 37 -21.657 7.239 -16.544 306 HD13 ILE 37 2HD1 ILE 37 -21.268 6.348 -18.015 307 HA PRO 38 HA PRO 38 -17.488 5.204 -11.897 308 HB2 PRO 38 2HB PRO 38 -19.465 5.781 -10.128 309 HB3 PRO 38 3HB PRO 38 -17.931 6.657 -10.173 310 HG2 PRO 38 2HG PRO 38 -20.584 7.424 -11.327 311 HG3 PRO 38 3HG PRO 38 -19.416 8.426 -10.447 312 HD2 PRO 38 2HD PRO 38 -19.629 8.468 -13.146 313 HD3 PRO 38 3HD PRO 38 -18.088 8.732 -12.306 314 H GLY 39 H GLY 39 -18.268 3.164 -11.791 315 HA2 GLY 39 2HA GLY 39 -20.204 2.217 -13.517 316 HA3 GLY 39 3HA GLY 39 -19.667 1.364 -12.078 317 H ASN 40 H ASN 40 -20.591 3.010 -10.074 318 HA ASN 40 HA ASN 40 -23.185 3.962 -10.273 319 HB2 ASN 40 2HB ASN 40 -23.153 1.173 -10.579 320 HB3 ASN 40 3HB ASN 40 -23.704 1.452 -8.930 321 HD21 ASN 40 1HD2 ASN 40 -25.767 1.913 -8.634 322 HD22 ASN 40 2HD2 ASN 40 -26.880 2.392 -9.866 323 H MET 41 H MET 41 -21.790 1.578 -8.016 324 HA MET 41 HA MET 41 -22.092 3.563 -5.871 325 HB2 MET 41 2HB MET 41 -22.239 0.602 -5.987 326 HB3 MET 41 3HB MET 41 -21.552 1.301 -4.528 327 HG2 MET 41 2HG MET 41 -23.569 2.620 -4.194 328 HG3 MET 41 3HG MET 41 -24.257 1.951 -5.672 329 HE1 MET 41 3HE MET 41 -25.219 2.187 -2.701 330 HE2 MET 41 1HE MET 41 -25.675 0.635 -1.999 331 HE3 MET 41 2HE MET 41 -24.063 1.291 -1.715 332 H ILE 42 H ILE 42 -19.806 1.237 -7.249 333 HA ILE 42 HA ILE 42 -17.553 0.969 -6.992 334 HB ILE 42 HB ILE 42 -17.480 3.963 -6.662 335 HG12 ILE 42 2HG1 ILE 42 -18.976 3.417 -8.527 336 HG13 ILE 42 3HG1 ILE 42 -17.473 4.119 -9.114 337 HG21 ILE 42 1HG2 ILE 42 -15.420 3.435 -8.228 338 HG22 ILE 42 2HG2 ILE 42 -15.308 3.287 -6.475 339 HG23 ILE 42 3HG2 ILE 42 -15.552 1.850 -7.467 340 HD11 ILE 42 3HD1 ILE 42 -18.672 1.748 -9.937 341 HD12 ILE 42 1HD1 ILE 42 -17.068 2.342 -10.365 342 HD13 ILE 42 2HD1 ILE 42 -17.269 1.257 -8.989 343 H ARG 43 H ARG 43 -18.570 0.245 -4.702 344 HA ARG 43 HA ARG 43 -16.927 1.592 -2.660 345 HB2 ARG 43 2HB ARG 43 -19.759 0.733 -2.606 346 HB3 ARG 43 3HB ARG 43 -18.822 0.391 -1.158 347 HG2 ARG 43 2HG ARG 43 -19.182 2.469 -0.493 348 HG3 ARG 43 3HG ARG 43 -18.218 3.036 -1.859 349 HD2 ARG 43 2HD ARG 43 -20.158 4.139 -2.307 350 HD3 ARG 43 3HD ARG 43 -20.497 2.628 -3.150 351 HE ARG 43 HE ARG 43 -22.170 2.223 -1.651 352 HH11 ARG 43 1HH1 ARG 43 -20.020 4.613 -0.314 353 HH12 ARG 43 2HH1 ARG 43 -21.018 4.926 1.068 354 HH21 ARG 43 1HH2 ARG 43 -23.491 2.626 0.164 355 HH22 ARG 43 2HH2 ARG 43 -22.991 3.795 1.339 356 H LEU 44 H LEU 44 -15.428 0.356 -1.742 357 HA LEU 44 HA LEU 44 -15.598 -2.553 -2.122 358 HB2 LEU 44 2HB LEU 44 -13.170 -2.555 -1.723 359 HB3 LEU 44 3HB LEU 44 -13.639 -1.576 -3.111 360 HG LEU 44 HG LEU 44 -13.464 0.041 -0.726 361 HD11 LEU 44 1HD1 LEU 44 -11.819 -1.820 -0.187 362 HD12 LEU 44 2HD1 LEU 44 -11.193 -0.172 -0.170 363 HD13 LEU 44 3HD1 LEU 44 -10.866 -1.224 -1.546 364 HD21 LEU 44 3HD2 LEU 44 -11.504 0.412 -2.866 365 HD22 LEU 44 1HD2 LEU 44 -12.696 1.533 -2.208 366 HD23 LEU 44 2HD2 LEU 44 -13.176 0.349 -3.423 367 H VAL 45 H VAL 45 -14.899 -3.946 -0.388 368 HA VAL 45 HA VAL 45 -15.391 -2.761 2.266 369 HB VAL 45 HB VAL 45 -15.813 -5.645 1.483 370 HG11 VAL 45 1HG1 VAL 45 -16.835 -5.928 3.579 371 HG12 VAL 45 2HG1 VAL 45 -15.370 -5.000 3.908 372 HG13 VAL 45 3HG1 VAL 45 -16.937 -4.190 3.858 373 HG21 VAL 45 3HG2 VAL 45 -17.483 -3.299 1.054 374 HG22 VAL 45 1HG2 VAL 45 -17.624 -4.926 0.391 375 HG23 VAL 45 2HG2 VAL 45 -18.295 -4.561 1.980 376 H TYR 46 H TYR 46 -13.652 -2.633 3.506 377 HA TYR 46 HA TYR 46 -11.413 -4.467 3.020 378 HB2 TYR 46 2HB TYR 46 -11.413 -1.748 3.262 379 HB3 TYR 46 3HB TYR 46 -11.014 -2.239 4.904 380 HD1 TYR 46 HD2 TYR 46 -9.402 -4.662 4.411 381 HD2 TYR 46 HD1 TYR 46 -9.415 -0.914 2.397 382 HE1 TYR 46 HE2 TYR 46 -7.064 -5.022 3.738 383 HE2 TYR 46 HE1 TYR 46 -7.077 -1.264 1.718 384 HH TYR 46 HH TYR 46 -5.123 -2.554 2.441 385 H GLN 47 H GLN 47 -11.291 -6.173 4.305 386 HA GLN 47 HA GLN 47 -11.466 -7.547 6.111 387 HB2 GLN 47 2HB GLN 47 -10.106 -5.307 6.926 388 HB3 GLN 47 3HB GLN 47 -11.392 -5.411 8.122 389 HG2 GLN 47 2HG GLN 47 -10.400 -7.095 9.163 390 HG3 GLN 47 3HG GLN 47 -10.191 -7.991 7.659 391 HE21 GLN 47 1HE2 GLN 47 -8.244 -7.987 6.655 392 HE22 GLN 47 2HE2 GLN 47 -6.832 -7.220 7.290 393 H GLY 48 H GLY 48 -13.910 -6.539 4.996 394 HA2 GLY 48 2HA GLY 48 -16.138 -6.935 5.521 395 HA3 GLY 48 3HA GLY 48 -15.668 -7.192 7.195 396 H LYS 49 H LYS 49 -14.288 -4.355 6.224 397 HA LYS 49 HA LYS 49 -16.462 -2.806 7.448 398 HB2 LYS 49 2HB LYS 49 -13.624 -2.800 7.768 399 HB3 LYS 49 3HB LYS 49 -14.113 -1.234 7.134 400 HG2 LYS 49 2HG LYS 49 -14.097 -1.100 9.510 401 HG3 LYS 49 3HG LYS 49 -15.780 -1.082 8.976 402 HD2 LYS 49 2HD LYS 49 -15.609 -2.538 10.872 403 HD3 LYS 49 3HD LYS 49 -15.879 -3.531 9.438 404 HE2 LYS 49 2HE LYS 49 -13.598 -4.186 9.359 405 HE3 LYS 49 3HE LYS 49 -13.141 -2.978 10.559 406 HZ1 LYS 49 3HZ LYS 49 -14.047 -5.631 10.959 407 HZ2 LYS 49 1HZ LYS 49 -15.078 -4.546 11.748 408 HZ3 LYS 49 2HZ LYS 49 -13.422 -4.537 12.088 409 H GLN 50 H GLN 50 -17.010 -0.728 6.576 410 HA GLN 50 HA GLN 50 -16.566 -0.577 3.669 411 HB2 GLN 50 2HB GLN 50 -18.845 0.703 5.169 412 HB3 GLN 50 3HB GLN 50 -18.705 0.431 3.437 413 HG2 GLN 50 2HG GLN 50 -19.952 -1.373 3.770 414 HG3 GLN 50 3HG GLN 50 -18.507 -2.103 4.467 415 HE21 GLN 50 1HE2 GLN 50 -18.477 -2.597 6.580 416 HE22 GLN 50 2HE2 GLN 50 -19.767 -2.273 7.683 417 H LEU 51 H LEU 51 -16.503 1.588 2.725 418 HA LEU 51 HA LEU 51 -15.654 3.690 2.555 419 HB2 LEU 51 2HB LEU 51 -16.126 4.046 5.496 420 HB3 LEU 51 3HB LEU 51 -16.152 5.264 4.222 421 HG LEU 51 HG LEU 51 -18.213 3.080 4.460 422 HD11 LEU 51 1HD1 LEU 51 -17.970 4.800 6.419 423 HD12 LEU 51 2HD1 LEU 51 -19.558 4.409 5.758 424 HD13 LEU 51 3HD1 LEU 51 -18.744 5.897 5.274 425 HD21 LEU 51 3HD2 LEU 51 -18.585 3.833 2.371 426 HD22 LEU 51 1HD2 LEU 51 -17.719 5.344 2.648 427 HD23 LEU 51 2HD2 LEU 51 -19.383 5.167 3.205 428 H GLU 52 H GLU 52 -13.534 3.492 2.133 429 HA GLU 52 HA GLU 52 -11.706 3.299 4.436 430 HB2 GLU 52 2HB GLU 52 -11.139 2.282 1.650 431 HB3 GLU 52 3HB GLU 52 -10.142 2.066 3.082 432 HG2 GLU 52 2HG GLU 52 -12.919 0.952 2.790 433 HG3 GLU 52 3HG GLU 52 -11.450 0.060 2.401 434 H ASP 53 H ASP 53 -12.860 5.299 2.106 435 HA ASP 53 HA ASP 53 -10.663 6.534 0.950 436 HB2 ASP 53 2HB ASP 53 -13.335 6.953 0.854 437 HB3 ASP 53 3HB ASP 53 -12.840 8.333 1.829 438 H GLU 54 H GLU 54 -12.124 7.065 4.124 439 HA GLU 54 HA GLU 54 -10.522 9.292 4.830 440 HB2 GLU 54 2HB GLU 54 -12.650 7.863 5.975 441 HB3 GLU 54 3HB GLU 54 -11.325 7.729 7.122 442 HG2 GLU 54 2HG GLU 54 -12.340 9.644 7.844 443 HG3 GLU 54 3HG GLU 54 -11.119 10.301 6.754 444 H LYS 55 H LYS 55 -9.924 5.914 4.729 445 HA LYS 55 HA LYS 55 -7.594 6.131 6.485 446 HB2 LYS 55 2HB LYS 55 -9.142 3.839 5.328 447 HB3 LYS 55 3HB LYS 55 -7.492 3.585 5.881 448 HG2 LYS 55 2HG LYS 55 -8.783 3.006 7.718 449 HG3 LYS 55 3HG LYS 55 -8.275 4.658 8.077 450 HD2 LYS 55 2HD LYS 55 -10.376 5.450 7.978 451 HD3 LYS 55 3HD LYS 55 -10.782 4.467 6.570 452 HE2 LYS 55 2HE LYS 55 -12.116 3.420 8.069 453 HE3 LYS 55 3HE LYS 55 -10.631 2.537 8.417 454 HZ1 LYS 55 3HZ LYS 55 -10.969 5.003 9.895 455 HZ2 LYS 55 1HZ LYS 55 -10.441 3.485 10.425 456 HZ3 LYS 55 2HZ LYS 55 -12.096 3.796 10.263 457 H ARG 56 H ARG 56 -7.477 7.546 4.049 458 HA ARG 56 HA ARG 56 -6.337 6.322 1.876 459 HB2 ARG 56 2HB ARG 56 -4.931 8.569 1.806 460 HB3 ARG 56 3HB ARG 56 -6.661 8.554 1.490 461 HG2 ARG 56 2HG ARG 56 -5.976 8.882 4.312 462 HG3 ARG 56 3HG ARG 56 -5.397 10.182 3.268 463 HD2 ARG 56 2HD ARG 56 -7.919 9.853 2.333 464 HD3 ARG 56 3HD ARG 56 -8.138 9.441 4.033 465 HE ARG 56 HE ARG 56 -6.672 11.801 3.931 466 HH11 ARG 56 1HH1 ARG 56 -9.842 10.660 3.055 467 HH12 ARG 56 2HH1 ARG 56 -10.602 12.200 3.285 468 HH21 ARG 56 1HH2 ARG 56 -7.661 13.834 4.237 469 HH22 ARG 56 2HH2 ARG 56 -9.361 14.005 3.956 470 H LEU 57 H LEU 57 -4.217 8.155 4.043 471 HA LEU 57 HA LEU 57 -1.922 6.673 3.371 472 HB2 LEU 57 2HB LEU 57 -2.150 9.023 4.412 473 HB3 LEU 57 3HB LEU 57 -2.217 8.168 5.952 474 HG LEU 57 HG LEU 57 0.071 7.820 4.032 475 HD11 LEU 57 1HD1 LEU 57 1.072 9.714 4.681 476 HD12 LEU 57 2HD1 LEU 57 0.506 9.561 6.344 477 HD13 LEU 57 3HD1 LEU 57 -0.556 10.242 5.111 478 HD21 LEU 57 3HD2 LEU 57 0.562 6.244 5.532 479 HD22 LEU 57 1HD2 LEU 57 -0.656 6.828 6.667 480 HD23 LEU 57 2HD2 LEU 57 0.945 7.569 6.633 481 H LYS 58 H LYS 58 -4.266 6.351 5.964 482 HA LYS 58 HA LYS 58 -2.884 4.593 7.632 483 HB2 LYS 58 2HB LYS 58 -5.551 5.585 7.381 484 HB3 LYS 58 3HB LYS 58 -5.627 3.843 7.615 485 HG2 LYS 58 2HG LYS 58 -3.731 5.010 9.430 486 HG3 LYS 58 3HG LYS 58 -5.297 5.813 9.565 487 HD2 LYS 58 2HD LYS 58 -5.403 2.878 9.395 488 HD3 LYS 58 3HD LYS 58 -4.635 3.518 10.849 489 HE2 LYS 58 2HE LYS 58 -7.213 4.713 9.973 490 HE3 LYS 58 3HE LYS 58 -7.246 3.113 10.712 491 HZ1 LYS 58 3HZ LYS 58 -5.665 5.114 12.099 492 HZ2 LYS 58 1HZ LYS 58 -6.704 3.932 12.720 493 HZ3 LYS 58 2HZ LYS 58 -7.336 5.375 12.103 494 H ASP 59 H ASP 59 -4.401 4.073 4.563 495 HA ASP 59 HA ASP 59 -4.480 1.197 4.819 496 HB2 ASP 59 2HB ASP 59 -5.302 3.195 2.797 497 HB3 ASP 59 3HB ASP 59 -4.826 1.619 2.170 498 H TYR 60 H TYR 60 -2.168 3.540 3.971 499 HA TYR 60 HA TYR 60 -0.633 1.944 2.156 500 HB2 TYR 60 2HB TYR 60 -0.515 4.396 2.120 501 HB3 TYR 60 3HB TYR 60 0.155 4.394 3.748 502 HD1 TYR 60 HD1 TYR 60 0.825 3.392 0.246 503 HD2 TYR 60 HD2 TYR 60 2.470 4.069 4.111 504 HE1 TYR 60 HE1 TYR 60 3.091 3.227 -0.696 505 HE2 TYR 60 HE2 TYR 60 4.740 3.907 3.180 506 HH TYR 60 HH TYR 60 5.901 3.039 1.299 507 H GLN 61 H GLN 61 -0.907 2.178 5.576 508 HA GLN 61 HA GLN 61 1.681 1.121 6.202 509 HB2 GLN 61 2HB GLN 61 -0.780 1.812 7.713 510 HB3 GLN 61 3HB GLN 61 0.301 0.635 8.446 511 HG2 GLN 61 2HG GLN 61 1.188 3.343 7.487 512 HG3 GLN 61 3HG GLN 61 0.676 3.004 9.139 513 HE21 GLN 61 1HE2 GLN 61 3.292 3.369 7.249 514 HE22 GLN 61 2HE2 GLN 61 4.434 2.405 8.115 515 H MET 62 H MET 62 -1.013 -0.240 4.832 516 HA MET 62 HA MET 62 -0.867 -2.814 6.138 517 HB2 MET 62 2HB MET 62 -2.316 -2.197 3.570 518 HB3 MET 62 3HB MET 62 -2.664 -3.468 4.735 519 HG2 MET 62 2HG MET 62 -3.030 -0.513 5.170 520 HG3 MET 62 3HG MET 62 -4.305 -1.690 4.864 521 HE1 MET 62 3HE MET 62 -5.562 -2.253 8.123 522 HE2 MET 62 1HE MET 62 -5.358 -0.559 7.675 523 HE3 MET 62 2HE MET 62 -5.746 -1.756 6.440 524 H SER 63 H SER 63 -0.598 -1.924 2.694 525 HA SER 63 HA SER 63 0.679 -2.759 1.006 526 HB2 SER 63 2HB SER 63 2.741 -3.522 3.065 527 HB3 SER 63 3HB SER 63 2.993 -2.988 1.403 528 HG SER 63 HG SER 63 3.301 -1.441 3.287 529 H ALA 64 H ALA 64 -1.110 -4.548 2.596 530 HA ALA 64 HA ALA 64 -0.637 -6.941 1.226 531 HB1 ALA 64 1HB ALA 64 -0.129 -8.347 3.326 532 HB2 ALA 64 2HB ALA 64 1.196 -7.480 2.549 533 HB3 ALA 64 3HB ALA 64 0.457 -6.831 4.012 534 H GLY 65 H GLY 65 -2.837 -5.301 1.693 535 HA2 GLY 65 2HA GLY 65 -4.547 -7.043 3.361 536 HA3 GLY 65 3HA GLY 65 -4.796 -5.310 3.210 537 H ALA 66 H ALA 66 -5.978 -8.190 2.262 538 HA ALA 66 HA ALA 66 -6.446 -7.905 -0.493 539 HB1 ALA 66 1HB ALA 66 -6.902 -10.031 0.193 540 HB2 ALA 66 2HB ALA 66 -7.659 -9.504 1.697 541 HB3 ALA 66 3HB ALA 66 -8.539 -9.375 0.174 542 H THR 67 H THR 67 -7.935 -6.821 -1.656 543 HA THR 67 HA THR 67 -9.971 -5.285 -0.177 544 HB THR 67 HB THR 67 -9.444 -3.946 -2.609 545 HG1 THR 67 HG1 THR 67 -7.034 -4.089 -1.158 546 HG21 THR 67 3HG2 THR 67 -9.075 -2.090 -1.229 547 HG22 THR 67 1HG2 THR 67 -8.420 -3.076 0.077 548 HG23 THR 67 2HG2 THR 67 -10.147 -3.116 -0.277 549 H PHE 68 H PHE 68 -12.011 -5.212 -1.018 550 HA PHE 68 HA PHE 68 -12.474 -6.610 -3.564 551 HB2 PHE 68 2HB PHE 68 -13.104 -8.218 -1.942 552 HB3 PHE 68 3HB PHE 68 -13.891 -7.007 -0.935 553 HD1 PHE 68 HD2 PHE 68 -14.124 -8.430 -4.375 554 HD2 PHE 68 HD1 PHE 68 -16.181 -6.885 -0.984 555 HE1 PHE 68 HE2 PHE 68 -16.276 -8.940 -5.452 556 HE2 PHE 68 HE1 PHE 68 -18.337 -7.394 -2.055 557 HZ PHE 68 HZ PHE 68 -18.386 -8.421 -4.293 558 H HIS 69 H HIS 69 -13.290 -5.185 -4.942 559 HA HIS 69 HA HIS 69 -14.830 -2.914 -3.972 560 HB2 HIS 69 2HB HIS 69 -13.691 -3.634 -6.671 561 HB3 HIS 69 3HB HIS 69 -14.752 -2.249 -6.431 562 HD1 HIS 69 HD1 HIS 69 -11.898 -3.358 -4.191 563 HD2 HIS 69 HD2 HIS 69 -12.984 -0.189 -6.649 564 HE1 HIS 69 HE1 HIS 69 -10.123 -1.608 -3.856 565 H MET 70 H MET 70 -16.946 -2.465 -4.543 566 HA MET 70 HA MET 70 -18.412 -4.623 -5.908 567 HB2 MET 70 2HB MET 70 -18.821 -4.787 -3.506 568 HB3 MET 70 3HB MET 70 -19.296 -3.094 -3.453 569 HG2 MET 70 2HG MET 70 -21.378 -3.587 -4.015 570 HG3 MET 70 3HG MET 70 -20.843 -4.517 -5.413 571 HE1 MET 70 3HE MET 70 -22.004 -4.788 -1.571 572 HE2 MET 70 1HE MET 70 -23.118 -4.614 -2.927 573 HE3 MET 70 2HE MET 70 -23.053 -6.130 -2.028 574 H VAL 71 H VAL 71 -19.647 -3.970 -7.549 575 HA VAL 71 HA VAL 71 -20.557 -1.179 -7.629 576 HB VAL 71 HB VAL 71 -19.389 -2.597 -10.025 577 HG11 VAL 71 1HG1 VAL 71 -19.532 -0.439 -11.106 578 HG12 VAL 71 2HG1 VAL 71 -21.120 -0.897 -10.488 579 HG13 VAL 71 3HG1 VAL 71 -20.147 0.295 -9.625 580 HG21 VAL 71 3HG2 VAL 71 -18.152 -0.776 -8.009 581 HG22 VAL 71 1HG2 VAL 71 -17.486 -2.213 -8.786 582 HG23 VAL 71 2HG2 VAL 71 -17.619 -0.703 -9.688 583 H VAL 72 H VAL 72 -22.702 -1.313 -7.606 584 HA VAL 72 HA VAL 72 -23.995 -3.362 -9.287 585 HB VAL 72 HB VAL 72 -24.481 -3.804 -6.969 586 HG11 VAL 72 1HG1 VAL 72 -25.404 -2.223 -5.457 587 HG12 VAL 72 2HG1 VAL 72 -24.010 -1.449 -6.214 588 HG13 VAL 72 3HG1 VAL 72 -25.643 -1.036 -6.739 589 HG21 VAL 72 3HG2 VAL 72 -27.068 -2.624 -7.481 590 HG22 VAL 72 1HG2 VAL 72 -26.402 -3.368 -8.935 591 HG23 VAL 72 2HG2 VAL 72 -26.590 -4.322 -7.463 592 H ALA 73 H ALA 73 -24.958 -2.557 -11.021 593 HA ALA 73 HA ALA 73 -26.209 0.103 -10.836 594 HB1 ALA 73 1HB ALA 73 -24.833 -0.937 -13.303 595 HB2 ALA 73 2HB ALA 73 -25.456 0.687 -13.013 596 HB3 ALA 73 3HB ALA 73 -24.050 0.110 -12.119 597 H LEU 74 H LEU 74 -28.321 -0.429 -10.747 598 HA LEU 74 HA LEU 74 -30.373 -1.139 -11.418 599 HB2 LEU 74 2HB LEU 74 -28.856 -0.752 -13.840 600 HB3 LEU 74 3HB LEU 74 -30.022 -2.060 -14.033 601 HG LEU 74 HG LEU 74 -30.853 0.156 -14.783 602 HD11 LEU 74 1HD1 LEU 74 -32.854 -0.050 -12.906 603 HD12 LEU 74 2HD1 LEU 74 -32.140 -1.662 -12.914 604 HD13 LEU 74 3HD1 LEU 74 -32.746 -0.959 -14.414 605 HD21 LEU 74 3HD2 LEU 74 -29.666 1.460 -13.018 606 HD22 LEU 74 1HD2 LEU 74 -30.848 0.862 -11.853 607 HD23 LEU 74 2HD2 LEU 74 -31.372 1.873 -13.200 608 H ARG 75 H ARG 75 -30.573 -2.931 -10.127 609 HA ARG 75 HA ARG 75 -30.174 -5.502 -11.478 610 HB2 ARG 75 2HB ARG 75 -28.574 -4.607 -9.351 611 HB3 ARG 75 3HB ARG 75 -29.692 -5.766 -8.643 612 HG2 ARG 75 2HG ARG 75 -27.817 -7.018 -9.267 613 HG3 ARG 75 3HG ARG 75 -29.018 -7.336 -10.521 614 HD2 ARG 75 2HD ARG 75 -27.532 -6.695 -12.041 615 HD3 ARG 75 3HD ARG 75 -27.591 -5.070 -11.361 616 HE ARG 75 HE ARG 75 -25.501 -5.420 -10.534 617 HH11 ARG 75 1HH1 ARG 75 -27.006 -8.515 -11.062 618 HH12 ARG 75 2HH1 ARG 75 -25.595 -9.422 -10.628 619 HH21 ARG 75 1HH2 ARG 75 -23.636 -6.603 -9.960 620 HH22 ARG 75 2HH2 ARG 75 -23.679 -8.333 -10.000 621 H ALA 76 H ALA 76 -31.610 -3.798 -8.719 622 HA ALA 76 HA ALA 76 -34.135 -5.119 -9.178 623 HB1 ALA 76 1HB ALA 76 -33.317 -5.433 -6.373 624 HB2 ALA 76 2HB ALA 76 -34.225 -6.521 -7.423 625 HB3 ALA 76 3HB ALA 76 -32.465 -6.462 -7.525 626 H GLY 77 H GLY 77 -35.880 -4.060 -8.215 627 HA2 GLY 77 2HA GLY 77 -36.348 -2.419 -6.276 628 HA3 GLY 77 3HA GLY 77 -35.207 -1.403 -7.145 629 H CYS 78 H CYS 78 -37.944 -3.453 -8.153 630 HA CYS 78 HA CYS 78 -38.762 -1.785 -10.240 631 HB2 CYS 78 2HB CYS 78 -40.141 -3.928 -8.651 632 HB3 CYS 78 3HB CYS 78 -41.026 -3.010 -9.862 633 HG CYS 78 HG CYS 78 -39.840 -5.692 -10.559 Start of MODEL 15 1 H MET 1 H MET 1 1.824 -0.006 1.126 2 HA MET 1 HA MET 1 2.180 0.989 -1.357 3 HB2 MET 1 2HB MET 1 3.872 -0.104 0.306 4 HB3 MET 1 3HB MET 1 3.612 -1.551 -0.659 5 HG2 MET 1 2HG MET 1 4.711 -0.724 -2.457 6 HG3 MET 1 3HG MET 1 4.238 0.940 -2.120 7 HE1 MET 1 3HE MET 1 7.661 1.712 -2.247 8 HE2 MET 1 1HE MET 1 7.919 0.000 -2.584 9 HE3 MET 1 2HE MET 1 6.517 0.829 -3.259 10 H LEU 2 H LEU 2 1.894 -2.535 -0.869 11 HA LEU 2 HA LEU 2 0.762 -2.725 -3.576 12 HB2 LEU 2 2HB LEU 2 2.742 -4.010 -3.408 13 HB3 LEU 2 3HB LEU 2 2.249 -4.696 -1.861 14 HG LEU 2 HG LEU 2 0.470 -5.306 -4.126 15 HD11 LEU 2 1HD1 LEU 2 2.055 -5.955 -5.543 16 HD12 LEU 2 2HD1 LEU 2 2.445 -7.232 -4.391 17 HD13 LEU 2 3HD1 LEU 2 3.327 -5.705 -4.347 18 HD21 LEU 2 3HD2 LEU 2 0.037 -7.173 -2.924 19 HD22 LEU 2 1HD2 LEU 2 0.688 -6.194 -1.610 20 HD23 LEU 2 2HD2 LEU 2 1.716 -7.374 -2.422 21 H LEU 3 H LEU 3 -1.311 -3.234 -3.803 22 HA LEU 3 HA LEU 3 -2.649 -4.799 -1.720 23 HB2 LEU 3 2HB LEU 3 -4.418 -3.317 -1.444 24 HB3 LEU 3 3HB LEU 3 -2.991 -2.282 -1.445 25 HG LEU 3 HG LEU 3 -4.811 -2.690 -3.816 26 HD11 LEU 3 1HD1 LEU 3 -4.827 -0.046 -2.701 27 HD12 LEU 3 2HD1 LEU 3 -5.302 -1.226 -1.480 28 HD13 LEU 3 3HD1 LEU 3 -6.176 -1.141 -3.010 29 HD21 LEU 3 3HD2 LEU 3 -2.241 -1.358 -3.401 30 HD22 LEU 3 1HD2 LEU 3 -3.468 -0.332 -4.145 31 HD23 LEU 3 2HD2 LEU 3 -3.030 -1.867 -4.895 32 H LYS 4 H LYS 4 -4.424 -6.007 -2.429 33 HA LYS 4 HA LYS 4 -4.636 -6.236 -5.358 34 HB2 LYS 4 2HB LYS 4 -3.785 -8.274 -4.496 35 HB3 LYS 4 3HB LYS 4 -4.929 -8.276 -3.160 36 HG2 LYS 4 2HG LYS 4 -6.761 -8.680 -4.718 37 HG3 LYS 4 3HG LYS 4 -5.622 -8.659 -6.067 38 HD2 LYS 4 2HD LYS 4 -5.327 -10.560 -3.757 39 HD3 LYS 4 3HD LYS 4 -6.324 -10.941 -5.163 40 HE2 LYS 4 2HE LYS 4 -4.260 -10.407 -6.560 41 HE3 LYS 4 3HE LYS 4 -3.359 -10.458 -5.046 42 HZ1 LYS 4 3HZ LYS 4 -5.065 -12.734 -5.414 43 HZ2 LYS 4 1HZ LYS 4 -3.422 -12.670 -5.015 44 HZ3 LYS 4 2HZ LYS 4 -3.903 -12.589 -6.634 45 H VAL 5 H VAL 5 -6.411 -5.291 -6.109 46 HA VAL 5 HA VAL 5 -8.852 -5.340 -4.468 47 HB VAL 5 HB VAL 5 -9.659 -3.512 -5.936 48 HG11 VAL 5 1HG1 VAL 5 -7.750 -1.860 -5.169 49 HG12 VAL 5 2HG1 VAL 5 -8.827 -2.624 -3.999 50 HG13 VAL 5 3HG1 VAL 5 -7.209 -3.274 -4.266 51 HG21 VAL 5 3HG2 VAL 5 -7.368 -4.283 -7.480 52 HG22 VAL 5 1HG2 VAL 5 -8.676 -3.177 -7.900 53 HG23 VAL 5 2HG2 VAL 5 -7.254 -2.577 -7.048 54 H LYS 6 H LYS 6 -10.534 -6.531 -5.085 55 HA LYS 6 HA LYS 6 -10.709 -7.388 -7.894 56 HB2 LYS 6 2HB LYS 6 -11.480 -9.605 -7.134 57 HB3 LYS 6 3HB LYS 6 -9.835 -9.261 -6.617 58 HG2 LYS 6 2HG LYS 6 -10.985 -8.446 -4.428 59 HG3 LYS 6 3HG LYS 6 -12.332 -9.435 -4.997 60 HD2 LYS 6 2HD LYS 6 -10.667 -11.323 -5.254 61 HD3 LYS 6 3HD LYS 6 -9.520 -10.312 -4.372 62 HE2 LYS 6 2HE LYS 6 -10.930 -10.278 -2.443 63 HE3 LYS 6 3HE LYS 6 -12.244 -11.058 -3.322 64 HZ1 LYS 6 3HZ LYS 6 -9.761 -12.537 -3.299 65 HZ2 LYS 6 1HZ LYS 6 -11.344 -13.073 -3.036 66 HZ3 LYS 6 2HZ LYS 6 -10.475 -12.350 -1.777 67 H THR 7 H THR 7 -12.612 -6.966 -8.798 68 HA THR 7 HA THR 7 -14.791 -6.009 -7.124 69 HB THR 7 HB THR 7 -14.154 -4.728 -9.141 70 HG1 THR 7 HG1 THR 7 -16.210 -4.210 -9.459 71 HG21 THR 7 3HG2 THR 7 -15.469 -6.384 -11.092 72 HG22 THR 7 1HG2 THR 7 -14.124 -7.257 -10.359 73 HG23 THR 7 2HG2 THR 7 -13.847 -5.694 -11.127 74 H VAL 8 H VAL 8 -17.068 -6.636 -7.978 75 HA VAL 8 HA VAL 8 -17.457 -9.374 -7.459 76 HB VAL 8 HB VAL 8 -19.159 -7.584 -7.073 77 HG11 VAL 8 1HG1 VAL 8 -19.670 -7.823 -10.034 78 HG12 VAL 8 2HG1 VAL 8 -20.533 -6.803 -8.882 79 HG13 VAL 8 3HG1 VAL 8 -18.846 -6.465 -9.270 80 HG21 VAL 8 3HG2 VAL 8 -19.598 -10.114 -7.270 81 HG22 VAL 8 1HG2 VAL 8 -20.977 -9.017 -7.331 82 HG23 VAL 8 2HG2 VAL 8 -20.340 -9.716 -8.819 83 H SER 9 H SER 9 -16.565 -7.760 -10.307 84 HA SER 9 HA SER 9 -17.708 -9.682 -12.137 85 HB2 SER 9 2HB SER 9 -16.740 -7.069 -12.369 86 HB3 SER 9 3HB SER 9 -15.582 -8.056 -13.262 87 HG SER 9 HG SER 9 -17.050 -8.455 -14.725 88 H ASN 10 H ASN 10 -15.473 -10.144 -9.963 89 HA ASN 10 HA ASN 10 -13.781 -11.641 -9.688 90 HB2 ASN 10 2HB ASN 10 -15.364 -12.716 -11.735 91 HB3 ASN 10 3HB ASN 10 -13.709 -12.832 -12.327 92 HD21 ASN 10 1HD2 ASN 10 -12.638 -14.576 -11.768 93 HD22 ASN 10 2HD2 ASN 10 -12.971 -15.584 -10.405 94 H LYS 11 H LYS 11 -13.375 -8.977 -10.905 95 HA LYS 11 HA LYS 11 -11.006 -9.436 -12.568 96 HB2 LYS 11 2HB LYS 11 -12.625 -6.958 -11.974 97 HB3 LYS 11 3HB LYS 11 -11.107 -6.921 -12.862 98 HG2 LYS 11 2HG LYS 11 -12.107 -8.477 -14.521 99 HG3 LYS 11 3HG LYS 11 -13.644 -8.326 -13.667 100 HD2 LYS 11 2HD LYS 11 -12.914 -5.710 -14.031 101 HD3 LYS 11 3HD LYS 11 -12.324 -6.476 -15.508 102 HE2 LYS 11 2HE LYS 11 -14.698 -7.591 -15.502 103 HE3 LYS 11 3HE LYS 11 -15.113 -6.217 -14.478 104 HZ1 LYS 11 3HZ LYS 11 -14.558 -6.302 -17.309 105 HZ2 LYS 11 1HZ LYS 11 -13.783 -5.038 -16.493 106 HZ3 LYS 11 2HZ LYS 11 -15.466 -5.188 -16.416 107 H VAL 12 H VAL 12 -9.528 -10.108 -11.010 108 HA VAL 12 HA VAL 12 -8.983 -8.347 -8.749 109 HB VAL 12 HB VAL 12 -7.559 -10.911 -9.452 110 HG11 VAL 12 1HG1 VAL 12 -6.438 -10.683 -7.527 111 HG12 VAL 12 2HG1 VAL 12 -6.926 -8.989 -7.609 112 HG13 VAL 12 3HG1 VAL 12 -7.867 -10.134 -6.652 113 HG21 VAL 12 3HG2 VAL 12 -9.295 -11.406 -7.329 114 HG22 VAL 12 1HG2 VAL 12 -10.256 -10.510 -8.506 115 HG23 VAL 12 2HG2 VAL 12 -9.443 -12.001 -8.983 116 H ILE 13 H ILE 13 -7.317 -6.971 -8.644 117 HA ILE 13 HA ILE 13 -5.198 -7.176 -10.676 118 HB ILE 13 HB ILE 13 -6.475 -4.598 -9.758 119 HG12 ILE 13 2HG1 ILE 13 -7.969 -5.840 -11.237 120 HG13 ILE 13 3HG1 ILE 13 -7.311 -4.440 -12.077 121 HG21 ILE 13 1HG2 ILE 13 -4.273 -5.176 -11.729 122 HG22 ILE 13 2HG2 ILE 13 -5.093 -3.622 -11.596 123 HG23 ILE 13 3HG2 ILE 13 -4.161 -4.246 -10.235 124 HD11 ILE 13 3HD1 ILE 13 -5.561 -6.575 -12.591 125 HD12 ILE 13 1HD1 ILE 13 -7.199 -7.195 -12.799 126 HD13 ILE 13 2HD1 ILE 13 -6.669 -5.780 -13.709 127 H GLN 14 H GLN 14 -3.315 -7.478 -9.703 128 HA GLN 14 HA GLN 14 -2.925 -6.431 -6.989 129 HB2 GLN 14 2HB GLN 14 -0.932 -7.999 -6.999 130 HB3 GLN 14 3HB GLN 14 -2.515 -8.762 -7.049 131 HG2 GLN 14 2HG GLN 14 -2.289 -9.095 -9.451 132 HG3 GLN 14 3HG GLN 14 -0.711 -8.312 -9.415 133 HE21 GLN 14 1HE2 GLN 14 -0.471 -10.590 -10.479 134 HE22 GLN 14 2HE2 GLN 14 0.088 -11.825 -9.408 135 H ILE 15 H ILE 15 -1.935 -4.534 -6.884 136 HA ILE 15 HA ILE 15 0.248 -3.985 -8.789 137 HB ILE 15 HB ILE 15 -0.275 -1.561 -8.462 138 HG12 ILE 15 2HG1 ILE 15 -1.681 -2.210 -6.325 139 HG13 ILE 15 3HG1 ILE 15 -2.125 -0.816 -7.303 140 HG21 ILE 15 1HG2 ILE 15 -2.256 -3.420 -9.733 141 HG22 ILE 15 2HG2 ILE 15 -2.418 -1.669 -9.856 142 HG23 ILE 15 3HG2 ILE 15 -0.983 -2.469 -10.497 143 HD11 ILE 15 3HD1 ILE 15 -4.000 -1.816 -8.121 144 HD12 ILE 15 1HD1 ILE 15 -3.338 -3.442 -7.965 145 HD13 ILE 15 2HD1 ILE 15 -3.908 -2.581 -6.535 146 H THR 16 H THR 16 2.029 -2.758 -8.007 147 HA THR 16 HA THR 16 2.311 -2.805 -5.072 148 HB THR 16 HB THR 16 3.729 -4.523 -6.014 149 HG1 THR 16 HG1 THR 16 4.596 -3.214 -4.299 150 HG21 THR 16 3HG2 THR 16 5.170 -2.424 -7.616 151 HG22 THR 16 1HG2 THR 16 3.849 -3.375 -8.294 152 HG23 THR 16 2HG2 THR 16 5.313 -4.179 -7.725 153 H SER 17 H SER 17 1.286 -0.553 -5.931 154 HA SER 17 HA SER 17 3.330 1.383 -5.404 155 HB2 SER 17 2HB SER 17 3.868 1.403 -7.671 156 HB3 SER 17 3HB SER 17 2.207 1.088 -8.171 157 HG SER 17 HG SER 17 3.261 3.504 -7.124 158 H LEU 18 H LEU 18 1.903 1.758 -3.649 159 HA LEU 18 HA LEU 18 -0.656 3.022 -4.351 160 HB2 LEU 18 2HB LEU 18 0.308 1.450 -2.048 161 HB3 LEU 18 3HB LEU 18 -0.767 2.794 -1.671 162 HG LEU 18 HG LEU 18 -1.405 0.493 -3.517 163 HD11 LEU 18 1HD1 LEU 18 -1.866 0.996 -0.635 164 HD12 LEU 18 2HD1 LEU 18 -1.616 -0.521 -1.499 165 HD13 LEU 18 3HD1 LEU 18 -3.188 0.278 -1.557 166 HD21 LEU 18 3HD2 LEU 18 -2.580 3.100 -3.193 167 HD22 LEU 18 1HD2 LEU 18 -3.724 1.840 -2.731 168 HD23 LEU 18 2HD2 LEU 18 -2.988 1.819 -4.334 169 H THR 19 H THR 19 -1.261 4.996 -3.350 170 HA THR 19 HA THR 19 1.002 6.763 -2.899 171 HB THR 19 HB THR 19 -1.717 7.876 -2.646 172 HG1 THR 19 HG1 THR 19 -0.850 6.475 -4.941 173 HG21 THR 19 3HG2 THR 19 0.916 8.688 -3.448 174 HG22 THR 19 1HG2 THR 19 -0.493 9.685 -3.090 175 HG23 THR 19 2HG2 THR 19 -0.241 9.069 -4.724 176 H ASP 20 H ASP 20 0.442 8.589 -1.195 177 HA ASP 20 HA ASP 20 -0.406 7.256 1.293 178 HB2 ASP 20 2HB ASP 20 1.300 8.927 2.355 179 HB3 ASP 20 3HB ASP 20 1.884 7.431 1.630 180 H ASP 21 H ASP 21 -1.258 9.521 -0.854 181 HA ASP 21 HA ASP 21 -2.111 11.532 1.090 182 HB2 ASP 21 2HB ASP 21 -1.402 11.578 -1.695 183 HB3 ASP 21 3HB ASP 21 -3.035 12.209 -1.494 184 H ASN 22 H ASN 22 -3.517 9.516 -1.487 185 HA ASN 22 HA ASN 22 -6.111 9.730 -0.104 186 HB2 ASN 22 2HB ASN 22 -5.425 9.628 -3.026 187 HB3 ASN 22 3HB ASN 22 -7.002 9.080 -2.466 188 HD21 ASN 22 1HD2 ASN 22 -5.506 11.602 -3.782 189 HD22 ASN 22 2HD2 ASN 22 -6.451 12.903 -3.151 190 H THR 23 H THR 23 -3.998 7.601 -1.986 191 HA THR 23 HA THR 23 -3.750 5.339 -2.027 192 HB THR 23 HB THR 23 -5.115 5.544 0.662 193 HG1 THR 23 HG1 THR 23 -2.963 6.507 0.322 194 HG21 THR 23 3HG2 THR 23 -3.908 3.260 0.945 195 HG22 THR 23 1HG2 THR 23 -3.971 3.203 -0.816 196 HG23 THR 23 2HG2 THR 23 -5.464 3.314 0.117 197 H ILE 24 H ILE 24 -6.775 5.271 -0.202 198 HA ILE 24 HA ILE 24 -7.959 3.431 -2.030 199 HB ILE 24 HB ILE 24 -9.305 4.998 0.173 200 HG12 ILE 24 2HG1 ILE 24 -8.992 2.495 1.162 201 HG13 ILE 24 3HG1 ILE 24 -7.535 2.625 0.183 202 HG21 ILE 24 1HG2 ILE 24 -10.203 2.947 -1.715 203 HG22 ILE 24 2HG2 ILE 24 -10.602 2.613 -0.031 204 HG23 ILE 24 3HG2 ILE 24 -11.134 4.118 -0.780 205 HD11 ILE 24 3HD1 ILE 24 -6.559 3.970 1.653 206 HD12 ILE 24 1HD1 ILE 24 -7.993 4.985 1.804 207 HD13 ILE 24 2HD1 ILE 24 -7.850 3.511 2.763 208 H ALA 25 H ALA 25 -8.616 6.835 -1.227 209 HA ALA 25 HA ALA 25 -10.732 7.240 -3.001 210 HB1 ALA 25 1HB ALA 25 -9.415 8.777 -1.165 211 HB2 ALA 25 2HB ALA 25 -8.973 9.552 -2.686 212 HB3 ALA 25 3HB ALA 25 -10.673 9.350 -2.260 213 H GLU 26 H GLU 26 -7.245 7.445 -3.498 214 HA GLU 26 HA GLU 26 -7.376 8.536 -6.116 215 HB2 GLU 26 2HB GLU 26 -5.346 8.724 -4.805 216 HB3 GLU 26 3HB GLU 26 -5.195 6.975 -4.725 217 HG2 GLU 26 2HG GLU 26 -4.025 6.962 -6.596 218 HG3 GLU 26 3HG GLU 26 -5.349 7.744 -7.458 219 H LEU 27 H LEU 27 -7.200 5.243 -4.853 220 HA LEU 27 HA LEU 27 -6.874 3.953 -7.348 221 HB2 LEU 27 2HB LEU 27 -7.147 3.210 -4.616 222 HB3 LEU 27 3HB LEU 27 -8.297 2.267 -5.562 223 HG LEU 27 HG LEU 27 -5.303 2.360 -5.904 224 HD11 LEU 27 1HD1 LEU 27 -6.223 1.008 -4.023 225 HD12 LEU 27 2HD1 LEU 27 -5.351 0.068 -5.233 226 HD13 LEU 27 3HD1 LEU 27 -7.114 0.056 -5.210 227 HD21 LEU 27 3HD2 LEU 27 -7.436 1.585 -7.749 228 HD22 LEU 27 1HD2 LEU 27 -6.214 0.338 -7.495 229 HD23 LEU 27 2HD2 LEU 27 -5.736 1.939 -8.060 230 H LYS 28 H LYS 28 -9.754 4.534 -5.343 231 HA LYS 28 HA LYS 28 -11.592 3.352 -7.131 232 HB2 LYS 28 2HB LYS 28 -13.314 4.449 -5.812 233 HB3 LYS 28 3HB LYS 28 -12.086 3.770 -4.752 234 HG2 LYS 28 2HG LYS 28 -11.067 6.023 -4.573 235 HG3 LYS 28 3HG LYS 28 -12.411 6.662 -5.523 236 HD2 LYS 28 2HD LYS 28 -12.692 5.197 -2.899 237 HD3 LYS 28 3HD LYS 28 -12.718 6.953 -3.083 238 HE2 LYS 28 2HE LYS 28 -14.934 6.708 -3.286 239 HE3 LYS 28 3HE LYS 28 -14.576 6.156 -4.921 240 HZ1 LYS 28 3HZ LYS 28 -15.052 4.032 -4.403 241 HZ2 LYS 28 1HZ LYS 28 -15.976 4.734 -3.173 242 HZ3 LYS 28 2HZ LYS 28 -14.430 4.140 -2.834 243 H GLY 29 H GLY 29 -10.405 6.659 -6.756 244 HA2 GLY 29 2HA GLY 29 -12.196 7.850 -8.605 245 HA3 GLY 29 3HA GLY 29 -10.671 8.532 -8.061 246 H LYS 30 H LYS 30 -9.074 6.284 -8.972 247 HA LYS 30 HA LYS 30 -8.639 7.152 -11.653 248 HB2 LYS 30 2HB LYS 30 -7.387 5.171 -9.813 249 HB3 LYS 30 3HB LYS 30 -7.074 5.002 -11.535 250 HG2 LYS 30 2HG LYS 30 -6.745 7.730 -10.554 251 HG3 LYS 30 3HG LYS 30 -5.653 6.564 -9.804 252 HD2 LYS 30 2HD LYS 30 -4.962 5.807 -12.045 253 HD3 LYS 30 3HD LYS 30 -6.016 7.026 -12.765 254 HE2 LYS 30 2HE LYS 30 -4.724 8.771 -11.558 255 HE3 LYS 30 3HE LYS 30 -3.622 7.515 -10.996 256 HZ1 LYS 30 3HZ LYS 30 -4.115 8.294 -13.818 257 HZ2 LYS 30 1HZ LYS 30 -3.138 7.000 -13.336 258 HZ3 LYS 30 2HZ LYS 30 -2.709 8.583 -12.923 259 H LEU 31 H LEU 31 -10.158 4.351 -10.172 260 HA LEU 31 HA LEU 31 -10.415 2.827 -12.553 261 HB2 LEU 31 2HB LEU 31 -10.632 2.128 -10.057 262 HB3 LEU 31 3HB LEU 31 -12.318 2.603 -10.257 263 HG LEU 31 HG LEU 31 -11.143 0.669 -12.196 264 HD11 LEU 31 1HD1 LEU 31 -11.930 0.023 -9.363 265 HD12 LEU 31 2HD1 LEU 31 -10.383 -0.286 -10.151 266 HD13 LEU 31 3HD1 LEU 31 -11.821 -1.176 -10.651 267 HD21 LEU 31 3HD2 LEU 31 -13.801 0.314 -10.977 268 HD22 LEU 31 1HD2 LEU 31 -13.295 0.190 -12.662 269 HD23 LEU 31 2HD2 LEU 31 -13.589 1.775 -11.945 270 H GLU 32 H GLU 32 -12.572 5.062 -10.849 271 HA GLU 32 HA GLU 32 -14.781 4.709 -12.591 272 HB2 GLU 32 2HB GLU 32 -15.644 6.786 -11.565 273 HB3 GLU 32 3HB GLU 32 -15.099 5.618 -10.369 274 HG2 GLU 32 2HG GLU 32 -12.993 6.861 -10.141 275 HG3 GLU 32 3HG GLU 32 -13.589 8.051 -11.297 276 H GLU 33 H GLU 33 -12.083 6.984 -12.522 277 HA GLU 33 HA GLU 33 -13.017 8.636 -14.628 278 HB2 GLU 33 2HB GLU 33 -11.119 9.007 -12.844 279 HB3 GLU 33 3HB GLU 33 -10.097 8.284 -14.079 280 HG2 GLU 33 2HG GLU 33 -9.936 10.602 -14.389 281 HG3 GLU 33 3HG GLU 33 -11.001 10.023 -15.668 282 H SER 34 H SER 34 -11.074 5.715 -14.516 283 HA SER 34 HA SER 34 -10.126 5.770 -17.168 284 HB2 SER 34 2HB SER 34 -9.468 3.518 -16.833 285 HB3 SER 34 3HB SER 34 -9.347 4.272 -15.244 286 HG SER 34 HG SER 34 -10.819 2.172 -15.982 287 H GLU 35 H GLU 35 -13.012 4.297 -15.725 288 HA GLU 35 HA GLU 35 -13.948 3.362 -18.301 289 HB2 GLU 35 2HB GLU 35 -14.958 3.173 -15.484 290 HB3 GLU 35 3HB GLU 35 -16.035 2.816 -16.827 291 HG2 GLU 35 2HG GLU 35 -13.374 1.490 -16.728 292 HG3 GLU 35 3HG GLU 35 -14.656 0.925 -15.657 293 H GLY 36 H GLY 36 -13.954 6.285 -16.743 294 HA2 GLY 36 2HA GLY 36 -14.912 8.252 -17.604 295 HA3 GLY 36 3HA GLY 36 -16.079 7.273 -18.481 296 H ILE 37 H ILE 37 -17.112 5.729 -16.422 297 HA ILE 37 HA ILE 37 -18.135 7.651 -14.461 298 HB ILE 37 HB ILE 37 -20.446 6.650 -14.818 299 HG12 ILE 37 2HG1 ILE 37 -19.752 6.116 -17.640 300 HG13 ILE 37 3HG1 ILE 37 -19.175 4.922 -16.483 301 HG21 ILE 37 1HG2 ILE 37 -19.816 8.931 -15.478 302 HG22 ILE 37 2HG2 ILE 37 -19.294 8.321 -17.047 303 HG23 ILE 37 3HG2 ILE 37 -20.993 8.222 -16.584 304 HD11 ILE 37 3HD1 ILE 37 -21.875 5.515 -15.860 305 HD12 ILE 37 1HD1 ILE 37 -21.759 5.205 -17.592 306 HD13 ILE 37 2HD1 ILE 37 -21.180 4.002 -16.440 307 HA PRO 38 HA PRO 38 -17.766 4.351 -11.588 308 HB2 PRO 38 2HB PRO 38 -19.781 4.924 -9.862 309 HB3 PRO 38 3HB PRO 38 -18.293 5.874 -9.951 310 HG2 PRO 38 2HG PRO 38 -20.976 6.437 -11.156 311 HG3 PRO 38 3HG PRO 38 -19.866 7.545 -10.330 312 HD2 PRO 38 2HD PRO 38 -20.064 7.424 -13.027 313 HD3 PRO 38 3HD PRO 38 -18.543 7.814 -12.198 314 H GLY 39 H GLY 39 -18.453 2.285 -11.343 315 HA2 GLY 39 2HA GLY 39 -20.313 1.135 -13.029 316 HA3 GLY 39 3HA GLY 39 -19.758 0.404 -11.530 317 H ASN 40 H ASN 40 -20.791 2.134 -9.651 318 HA ASN 40 HA ASN 40 -23.424 2.940 -9.943 319 HB2 ASN 40 2HB ASN 40 -23.197 0.103 -9.962 320 HB3 ASN 40 3HB ASN 40 -23.942 0.569 -8.435 321 HD21 ASN 40 1HD2 ASN 40 -24.421 0.031 -11.717 322 HD22 ASN 40 2HD2 ASN 40 -26.031 0.646 -11.842 323 H MET 41 H MET 41 -22.007 0.763 -7.502 324 HA MET 41 HA MET 41 -22.393 2.887 -5.510 325 HB2 MET 41 2HB MET 41 -22.326 -0.103 -5.352 326 HB3 MET 41 3HB MET 41 -21.942 0.849 -3.925 327 HG2 MET 41 2HG MET 41 -24.178 2.056 -4.449 328 HG3 MET 41 3HG MET 41 -24.520 0.616 -5.406 329 HE1 MET 41 3HE MET 41 -24.106 1.574 -1.213 330 HE2 MET 41 1HE MET 41 -24.848 2.428 -2.566 331 HE3 MET 41 2HE MET 41 -25.824 1.363 -1.555 332 H ILE 42 H ILE 42 -20.030 0.549 -6.714 333 HA ILE 42 HA ILE 42 -17.772 0.373 -6.450 334 HB ILE 42 HB ILE 42 -17.789 3.365 -6.100 335 HG12 ILE 42 2HG1 ILE 42 -19.234 2.833 -7.991 336 HG13 ILE 42 3HG1 ILE 42 -17.717 3.516 -8.567 337 HG21 ILE 42 1HG2 ILE 42 -15.791 1.310 -6.874 338 HG22 ILE 42 2HG2 ILE 42 -15.693 2.892 -7.646 339 HG23 ILE 42 3HG2 ILE 42 -15.601 2.760 -5.890 340 HD11 ILE 42 3HD1 ILE 42 -18.935 1.116 -9.340 341 HD12 ILE 42 1HD1 ILE 42 -17.358 1.738 -9.825 342 HD13 ILE 42 2HD1 ILE 42 -17.494 0.671 -8.427 343 H ARG 43 H ARG 43 -18.843 -0.371 -4.174 344 HA ARG 43 HA ARG 43 -17.328 1.047 -2.081 345 HB2 ARG 43 2HB ARG 43 -20.076 0.402 -2.183 346 HB3 ARG 43 3HB ARG 43 -19.356 -0.671 -0.990 347 HG2 ARG 43 2HG ARG 43 -18.651 1.103 0.354 348 HG3 ARG 43 3HG ARG 43 -18.841 2.280 -0.946 349 HD2 ARG 43 2HD ARG 43 -21.207 0.757 0.070 350 HD3 ARG 43 3HD ARG 43 -20.611 2.162 0.953 351 HE ARG 43 HE ARG 43 -22.009 2.155 -1.564 352 HH11 ARG 43 1HH1 ARG 43 -19.866 3.925 0.532 353 HH12 ARG 43 2HH1 ARG 43 -20.269 5.469 -0.143 354 HH21 ARG 43 1HH2 ARG 43 -22.549 4.182 -2.461 355 HH22 ARG 43 2HH2 ARG 43 -21.796 5.614 -1.844 356 H LEU 44 H LEU 44 -15.621 -0.040 -1.384 357 HA LEU 44 HA LEU 44 -15.597 -2.967 -1.648 358 HB2 LEU 44 2HB LEU 44 -13.156 -2.780 -1.481 359 HB3 LEU 44 3HB LEU 44 -13.814 -1.869 -2.838 360 HG LEU 44 HG LEU 44 -13.675 0.010 -0.823 361 HD11 LEU 44 1HD1 LEU 44 -11.070 -0.394 -0.370 362 HD12 LEU 44 2HD1 LEU 44 -11.617 -2.070 -0.418 363 HD13 LEU 44 3HD1 LEU 44 -12.336 -0.940 0.730 364 HD21 LEU 44 3HD2 LEU 44 -12.258 1.098 -2.255 365 HD22 LEU 44 1HD2 LEU 44 -12.959 -0.093 -3.351 366 HD23 LEU 44 2HD2 LEU 44 -11.360 -0.367 -2.658 367 H VAL 45 H VAL 45 -14.643 -4.231 0.064 368 HA VAL 45 HA VAL 45 -14.948 -2.965 2.709 369 HB VAL 45 HB VAL 45 -15.365 -5.887 2.075 370 HG11 VAL 45 1HG1 VAL 45 -15.880 -6.205 4.265 371 HG12 VAL 45 2HG1 VAL 45 -14.760 -4.855 4.456 372 HG13 VAL 45 3HG1 VAL 45 -16.500 -4.568 4.473 373 HG21 VAL 45 3HG2 VAL 45 -17.807 -4.789 2.803 374 HG22 VAL 45 1HG2 VAL 45 -17.115 -3.614 1.684 375 HG23 VAL 45 2HG2 VAL 45 -17.320 -5.293 1.185 376 H TYR 46 H TYR 46 -13.123 -2.782 3.812 377 HA TYR 46 HA TYR 46 -10.865 -4.524 3.129 378 HB2 TYR 46 2HB TYR 46 -10.964 -1.807 3.409 379 HB3 TYR 46 3HB TYR 46 -10.392 -2.302 4.999 380 HD1 TYR 46 HD2 TYR 46 -8.749 -4.665 4.279 381 HD2 TYR 46 HD1 TYR 46 -9.076 -0.855 2.415 382 HE1 TYR 46 HE2 TYR 46 -6.470 -4.913 3.386 383 HE2 TYR 46 HE1 TYR 46 -6.799 -1.092 1.516 384 HH TYR 46 HH TYR 46 -4.892 -2.294 1.624 385 H GLN 47 H GLN 47 -10.549 -6.229 4.383 386 HA GLN 47 HA GLN 47 -10.507 -7.621 6.182 387 HB2 GLN 47 2HB GLN 47 -9.200 -5.321 6.910 388 HB3 GLN 47 3HB GLN 47 -10.378 -5.499 8.204 389 HG2 GLN 47 2HG GLN 47 -8.277 -6.552 8.791 390 HG3 GLN 47 3HG GLN 47 -9.563 -7.750 8.650 391 HE21 GLN 47 1HE2 GLN 47 -9.384 -9.356 7.185 392 HE22 GLN 47 2HE2 GLN 47 -8.029 -9.569 6.136 393 H GLY 48 H GLY 48 -13.080 -6.730 5.278 394 HA2 GLY 48 2HA GLY 48 -15.237 -7.237 5.973 395 HA3 GLY 48 3HA GLY 48 -14.622 -7.493 7.599 396 H LYS 49 H LYS 49 -13.471 -4.576 6.549 397 HA LYS 49 HA LYS 49 -15.611 -3.153 7.973 398 HB2 LYS 49 2HB LYS 49 -12.755 -3.006 8.062 399 HB3 LYS 49 3HB LYS 49 -13.381 -1.455 7.518 400 HG2 LYS 49 2HG LYS 49 -13.750 -0.950 9.641 401 HG3 LYS 49 3HG LYS 49 -15.015 -2.182 9.655 402 HD2 LYS 49 2HD LYS 49 -12.126 -2.850 10.149 403 HD3 LYS 49 3HD LYS 49 -13.207 -2.344 11.449 404 HE2 LYS 49 2HE LYS 49 -13.878 -4.614 9.597 405 HE3 LYS 49 3HE LYS 49 -12.928 -4.851 11.063 406 HZ1 LYS 49 3HZ LYS 49 -15.705 -3.817 10.889 407 HZ2 LYS 49 1HZ LYS 49 -14.792 -3.846 12.313 408 HZ3 LYS 49 2HZ LYS 49 -15.208 -5.295 11.545 409 H GLN 50 H GLN 50 -16.283 -1.061 7.187 410 HA GLN 50 HA GLN 50 -16.062 -0.847 4.257 411 HB2 GLN 50 2HB GLN 50 -18.319 0.254 5.922 412 HB3 GLN 50 3HB GLN 50 -18.271 0.024 4.179 413 HG2 GLN 50 2HG GLN 50 -17.894 -2.508 4.985 414 HG3 GLN 50 3HG GLN 50 -18.854 -1.898 6.331 415 HE21 GLN 50 1HE2 GLN 50 -19.111 -3.523 3.578 416 HE22 GLN 50 2HE2 GLN 50 -20.695 -3.056 3.068 417 H LEU 51 H LEU 51 -16.183 1.333 3.362 418 HA LEU 51 HA LEU 51 -15.459 3.481 3.188 419 HB2 LEU 51 2HB LEU 51 -15.810 3.813 6.141 420 HB3 LEU 51 3HB LEU 51 -16.037 4.999 4.857 421 HG LEU 51 HG LEU 51 -17.859 2.646 5.358 422 HD11 LEU 51 1HD1 LEU 51 -17.983 4.170 7.226 423 HD12 LEU 51 2HD1 LEU 51 -19.429 4.334 6.230 424 HD13 LEU 51 3HD1 LEU 51 -18.150 5.545 6.134 425 HD21 LEU 51 3HD2 LEU 51 -19.382 4.105 3.916 426 HD22 LEU 51 1HD2 LEU 51 -18.071 3.248 3.104 427 HD23 LEU 51 2HD2 LEU 51 -17.914 4.969 3.456 428 H GLU 52 H GLU 52 -13.345 3.385 2.683 429 HA GLU 52 HA GLU 52 -11.428 3.328 4.922 430 HB2 GLU 52 2HB GLU 52 -10.986 2.241 2.135 431 HB3 GLU 52 3HB GLU 52 -9.826 2.212 3.455 432 HG2 GLU 52 2HG GLU 52 -12.484 0.921 3.825 433 HG3 GLU 52 3HG GLU 52 -11.243 0.101 2.878 434 H ASP 53 H ASP 53 -12.777 5.223 2.615 435 HA ASP 53 HA ASP 53 -10.706 6.553 1.344 436 HB2 ASP 53 2HB ASP 53 -13.431 6.856 1.474 437 HB3 ASP 53 3HB ASP 53 -12.860 8.322 2.266 438 H GLU 54 H GLU 54 -12.036 7.055 4.580 439 HA GLU 54 HA GLU 54 -10.512 9.367 5.181 440 HB2 GLU 54 2HB GLU 54 -12.507 7.846 6.448 441 HB3 GLU 54 3HB GLU 54 -11.122 7.806 7.531 442 HG2 GLU 54 2HG GLU 54 -11.556 10.468 6.526 443 HG3 GLU 54 3HG GLU 54 -13.016 9.829 7.279 444 H LYS 55 H LYS 55 -9.757 6.019 5.093 445 HA LYS 55 HA LYS 55 -7.356 6.376 6.726 446 HB2 LYS 55 2HB LYS 55 -8.846 3.993 5.685 447 HB3 LYS 55 3HB LYS 55 -7.161 3.828 6.161 448 HG2 LYS 55 2HG LYS 55 -8.320 3.226 8.071 449 HG3 LYS 55 3HG LYS 55 -7.898 4.913 8.373 450 HD2 LYS 55 2HD LYS 55 -10.046 5.567 8.376 451 HD3 LYS 55 3HD LYS 55 -10.453 4.555 6.988 452 HE2 LYS 55 2HE LYS 55 -10.169 2.622 8.763 453 HE3 LYS 55 3HE LYS 55 -10.524 3.924 9.897 454 HZ1 LYS 55 3HZ LYS 55 -12.613 4.275 8.940 455 HZ2 LYS 55 1HZ LYS 55 -12.474 2.591 9.025 456 HZ3 LYS 55 2HZ LYS 55 -12.242 3.385 7.550 457 H ARG 56 H ARG 56 -7.423 7.753 4.270 458 HA ARG 56 HA ARG 56 -6.340 6.546 2.058 459 HB2 ARG 56 2HB ARG 56 -5.044 8.852 1.885 460 HB3 ARG 56 3HB ARG 56 -6.785 8.755 1.659 461 HG2 ARG 56 2HG ARG 56 -5.972 9.159 4.437 462 HG3 ARG 56 3HG ARG 56 -5.507 10.467 3.346 463 HD2 ARG 56 2HD ARG 56 -8.056 10.012 2.548 464 HD3 ARG 56 3HD ARG 56 -8.170 9.613 4.261 465 HE ARG 56 HE ARG 56 -7.772 12.219 3.106 466 HH11 ARG 56 1HH1 ARG 56 -7.383 10.243 5.946 467 HH12 ARG 56 2HH1 ARG 56 -7.359 11.588 7.038 468 HH21 ARG 56 1HH2 ARG 56 -7.741 13.998 4.534 469 HH22 ARG 56 2HH2 ARG 56 -7.563 13.724 6.234 470 H LEU 57 H LEU 57 -4.196 8.511 4.078 471 HA LEU 57 HA LEU 57 -1.873 7.128 3.312 472 HB2 LEU 57 2HB LEU 57 -2.182 9.476 4.364 473 HB3 LEU 57 3HB LEU 57 -2.085 8.618 5.900 474 HG LEU 57 HG LEU 57 0.076 8.359 3.833 475 HD11 LEU 57 1HD1 LEU 57 0.481 10.259 6.048 476 HD12 LEU 57 2HD1 LEU 57 -0.593 10.795 4.757 477 HD13 LEU 57 3HD1 LEU 57 1.060 10.309 4.383 478 HD21 LEU 57 3HD2 LEU 57 0.948 7.006 5.357 479 HD22 LEU 57 1HD2 LEU 57 -0.427 7.291 6.424 480 HD23 LEU 57 2HD2 LEU 57 0.988 8.340 6.511 481 H LYS 58 H LYS 58 -4.067 6.722 6.022 482 HA LYS 58 HA LYS 58 -2.522 5.047 7.632 483 HB2 LYS 58 2HB LYS 58 -5.242 5.912 7.509 484 HB3 LYS 58 3HB LYS 58 -5.225 4.171 7.759 485 HG2 LYS 58 2HG LYS 58 -3.296 5.442 9.467 486 HG3 LYS 58 3HG LYS 58 -4.888 6.175 9.675 487 HD2 LYS 58 2HD LYS 58 -5.866 4.142 10.305 488 HD3 LYS 58 3HD LYS 58 -4.528 3.194 9.652 489 HE2 LYS 58 2HE LYS 58 -3.063 4.207 11.405 490 HE3 LYS 58 3HE LYS 58 -4.502 4.947 12.105 491 HZ1 LYS 58 3HZ LYS 58 -5.422 2.633 12.261 492 HZ2 LYS 58 1HZ LYS 58 -4.117 2.962 13.286 493 HZ3 LYS 58 2HZ LYS 58 -3.878 2.060 11.876 494 H ASP 59 H ASP 59 -4.172 4.425 4.650 495 HA ASP 59 HA ASP 59 -4.098 1.551 4.932 496 HB2 ASP 59 2HB ASP 59 -5.137 3.489 2.957 497 HB3 ASP 59 3HB ASP 59 -4.594 1.950 2.294 498 H TYR 60 H TYR 60 -1.934 3.982 3.980 499 HA TYR 60 HA TYR 60 -0.430 2.468 2.074 500 HB2 TYR 60 2HB TYR 60 -0.418 4.931 2.085 501 HB3 TYR 60 3HB TYR 60 0.364 4.919 3.662 502 HD1 TYR 60 HD1 TYR 60 0.870 3.527 0.228 503 HD2 TYR 60 HD2 TYR 60 2.659 5.154 3.729 504 HE1 TYR 60 HE1 TYR 60 3.069 3.459 -0.871 505 HE2 TYR 60 HE2 TYR 60 4.863 5.092 2.639 506 HH TYR 60 HH TYR 60 5.922 4.854 0.640 507 H GLN 61 H GLN 61 -0.613 2.540 5.481 508 HA GLN 61 HA GLN 61 2.066 1.571 5.948 509 HB2 GLN 61 2HB GLN 61 -0.128 2.563 7.548 510 HB3 GLN 61 3HB GLN 61 0.513 1.073 8.228 511 HG2 GLN 61 2HG GLN 61 1.754 2.721 9.273 512 HG3 GLN 61 3HG GLN 61 2.811 2.180 7.970 513 HE21 GLN 61 1HE2 GLN 61 1.274 4.809 9.409 514 HE22 GLN 61 2HE2 GLN 61 1.636 5.999 8.209 515 H MET 62 H MET 62 -0.557 0.175 4.621 516 HA MET 62 HA MET 62 -0.374 -2.386 5.984 517 HB2 MET 62 2HB MET 62 -1.975 -1.799 3.501 518 HB3 MET 62 3HB MET 62 -2.247 -3.058 4.699 519 HG2 MET 62 2HG MET 62 -2.555 -0.105 5.191 520 HG3 MET 62 3HG MET 62 -3.872 -1.224 4.845 521 HE1 MET 62 3HE MET 62 -2.694 0.408 8.403 522 HE2 MET 62 1HE MET 62 -1.247 -0.599 8.343 523 HE3 MET 62 2HE MET 62 -1.661 0.433 6.973 524 H SER 63 H SER 63 -0.316 -1.506 2.528 525 HA SER 63 HA SER 63 0.861 -2.341 0.769 526 HB2 SER 63 2HB SER 63 3.055 -3.048 2.710 527 HB3 SER 63 3HB SER 63 3.201 -2.544 1.026 528 HG SER 63 HG SER 63 3.288 -1.024 3.178 529 H ALA 64 H ALA 64 -0.809 -4.141 2.454 530 HA ALA 64 HA ALA 64 -0.346 -6.544 1.088 531 HB1 ALA 64 1HB ALA 64 0.862 -7.870 2.455 532 HB2 ALA 64 2HB ALA 64 1.509 -6.332 3.027 533 HB3 ALA 64 3HB ALA 64 0.216 -7.131 3.921 534 H GLY 65 H GLY 65 -2.575 -5.001 1.503 535 HA2 GLY 65 2HA GLY 65 -4.205 -6.703 3.287 536 HA3 GLY 65 3HA GLY 65 -4.498 -4.983 3.081 537 H ALA 66 H ALA 66 -5.573 -7.955 2.222 538 HA ALA 66 HA ALA 66 -6.130 -7.726 -0.523 539 HB1 ALA 66 1HB ALA 66 -6.707 -9.553 1.569 540 HB2 ALA 66 2HB ALA 66 -8.216 -9.185 0.732 541 HB3 ALA 66 3HB ALA 66 -6.833 -9.799 -0.173 542 H THR 67 H THR 67 -7.711 -6.742 -1.653 543 HA THR 67 HA THR 67 -9.789 -5.307 -0.131 544 HB THR 67 HB THR 67 -9.347 -3.997 -2.623 545 HG1 THR 67 HG1 THR 67 -6.994 -4.324 -1.042 546 HG21 THR 67 3HG2 THR 67 -10.019 -3.305 -0.094 547 HG22 THR 67 1HG2 THR 67 -9.526 -2.151 -1.332 548 HG23 THR 67 2HG2 THR 67 -8.352 -2.735 -0.153 549 H PHE 68 H PHE 68 -11.851 -5.370 -0.907 550 HA PHE 68 HA PHE 68 -12.304 -6.792 -3.442 551 HB2 PHE 68 2HB PHE 68 -12.754 -8.434 -1.777 552 HB3 PHE 68 3HB PHE 68 -13.636 -7.282 -0.780 553 HD1 PHE 68 HD1 PHE 68 -15.903 -6.607 -1.366 554 HD2 PHE 68 HD2 PHE 68 -13.790 -9.512 -3.651 555 HE1 PHE 68 HE1 PHE 68 -18.013 -7.309 -2.419 556 HE2 PHE 68 HE2 PHE 68 -15.897 -10.217 -4.708 557 HZ PHE 68 HZ PHE 68 -18.012 -9.115 -4.093 558 H HIS 69 H HIS 69 -13.268 -5.429 -4.784 559 HA HIS 69 HA HIS 69 -14.907 -3.258 -3.754 560 HB2 HIS 69 2HB HIS 69 -13.963 -3.921 -6.548 561 HB3 HIS 69 3HB HIS 69 -14.949 -2.519 -6.145 562 HD1 HIS 69 HD1 HIS 69 -13.376 -0.618 -6.466 563 HD2 HIS 69 HD2 HIS 69 -11.686 -3.695 -4.244 564 HE1 HIS 69 HE1 HIS 69 -11.152 0.260 -5.685 565 H MET 70 H MET 70 -17.071 -2.940 -4.236 566 HA MET 70 HA MET 70 -18.463 -5.186 -5.531 567 HB2 MET 70 2HB MET 70 -18.837 -5.507 -3.200 568 HB3 MET 70 3HB MET 70 -19.168 -3.799 -2.949 569 HG2 MET 70 2HG MET 70 -21.304 -3.964 -3.655 570 HG3 MET 70 3HG MET 70 -20.931 -5.207 -4.846 571 HE1 MET 70 3HE MET 70 -23.350 -5.797 -4.032 572 HE2 MET 70 1HE MET 70 -23.661 -6.895 -2.687 573 HE3 MET 70 2HE MET 70 -23.546 -5.159 -2.398 574 H VAL 71 H VAL 71 -19.911 -4.626 -7.040 575 HA VAL 71 HA VAL 71 -20.784 -1.813 -7.152 576 HB VAL 71 HB VAL 71 -19.170 -2.064 -8.898 577 HG11 VAL 71 1HG1 VAL 71 -20.210 -4.731 -9.037 578 HG12 VAL 71 2HG1 VAL 71 -20.239 -3.992 -10.639 579 HG13 VAL 71 3HG1 VAL 71 -18.729 -4.074 -9.732 580 HG21 VAL 71 3HG2 VAL 71 -20.461 -1.487 -10.820 581 HG22 VAL 71 1HG2 VAL 71 -21.870 -2.350 -10.202 582 HG23 VAL 71 2HG2 VAL 71 -21.319 -0.877 -9.405 583 H VAL 72 H VAL 72 -22.886 -1.799 -6.696 584 HA VAL 72 HA VAL 72 -24.575 -4.046 -7.470 585 HB VAL 72 HB VAL 72 -25.642 -1.634 -6.066 586 HG11 VAL 72 1HG1 VAL 72 -27.225 -3.094 -5.207 587 HG12 VAL 72 2HG1 VAL 72 -26.946 -3.739 -6.826 588 HG13 VAL 72 3HG1 VAL 72 -26.192 -4.505 -5.427 589 HG21 VAL 72 3HG2 VAL 72 -23.587 -2.034 -4.877 590 HG22 VAL 72 1HG2 VAL 72 -24.933 -2.622 -3.902 591 HG23 VAL 72 2HG2 VAL 72 -23.925 -3.762 -4.792 592 H ALA 73 H ALA 73 -25.181 -3.960 -9.552 593 HA ALA 73 HA ALA 73 -26.369 -1.441 -10.521 594 HB1 ALA 73 1HB ALA 73 -24.175 -2.124 -11.592 595 HB2 ALA 73 2HB ALA 73 -25.059 -3.474 -12.305 596 HB3 ALA 73 3HB ALA 73 -25.524 -1.817 -12.687 597 H LEU 74 H LEU 74 -28.491 -1.908 -10.095 598 HA LEU 74 HA LEU 74 -29.599 -4.304 -11.405 599 HB2 LEU 74 2HB LEU 74 -30.841 -2.780 -9.127 600 HB3 LEU 74 3HB LEU 74 -31.345 -4.338 -9.779 601 HG LEU 74 HG LEU 74 -28.637 -4.525 -8.870 602 HD11 LEU 74 1HD1 LEU 74 -30.572 -3.191 -7.016 603 HD12 LEU 74 2HD1 LEU 74 -28.879 -2.810 -7.324 604 HD13 LEU 74 3HD1 LEU 74 -29.303 -4.248 -6.397 605 HD21 LEU 74 3HD2 LEU 74 -31.274 -5.777 -8.191 606 HD22 LEU 74 1HD2 LEU 74 -29.814 -6.175 -7.285 607 HD23 LEU 74 2HD2 LEU 74 -29.887 -6.484 -9.020 608 H ARG 75 H ARG 75 -30.383 -0.948 -10.510 609 HA ARG 75 HA ARG 75 -31.730 0.612 -11.478 610 HB2 ARG 75 2HB ARG 75 -30.693 -0.891 -13.869 611 HB3 ARG 75 3HB ARG 75 -31.777 0.482 -14.050 612 HG2 ARG 75 2HG ARG 75 -29.133 0.575 -12.614 613 HG3 ARG 75 3HG ARG 75 -29.385 1.057 -14.293 614 HD2 ARG 75 2HD ARG 75 -31.352 2.404 -12.849 615 HD3 ARG 75 3HD ARG 75 -29.900 2.519 -11.856 616 HE ARG 75 HE ARG 75 -29.383 3.142 -14.592 617 HH11 ARG 75 1HH1 ARG 75 -30.652 4.422 -11.614 618 HH12 ARG 75 2HH1 ARG 75 -30.300 6.069 -12.020 619 HH21 ARG 75 1HH2 ARG 75 -28.914 5.306 -15.138 620 HH22 ARG 75 2HH2 ARG 75 -29.312 6.571 -14.025 621 H ALA 76 H ALA 76 -33.569 0.743 -13.374 622 HA ALA 76 HA ALA 76 -35.265 -1.592 -13.420 623 HB1 ALA 76 1HB ALA 76 -35.546 0.044 -11.233 624 HB2 ALA 76 2HB ALA 76 -36.793 0.638 -12.330 625 HB3 ALA 76 3HB ALA 76 -36.770 -1.061 -11.857 626 H GLY 77 H GLY 77 -37.644 -0.528 -14.154 627 HA2 GLY 77 2HA GLY 77 -38.596 1.126 -15.650 628 HA3 GLY 77 3HA GLY 77 -37.012 1.280 -16.397 629 H CYS 78 H CYS 78 -39.236 -1.412 -15.659 630 HA CYS 78 HA CYS 78 -40.031 -3.113 -16.940 631 HB2 CYS 78 2HB CYS 78 -40.412 -0.857 -18.434 632 HB3 CYS 78 3HB CYS 78 -39.463 -1.846 -19.536 633 HG CYS 78 HG CYS 78 -42.338 -2.950 -18.050 Start of MODEL 16 1 H MET 1 H MET 1 1.865 0.224 0.683 2 HA MET 1 HA MET 1 2.184 1.118 -1.828 3 HB2 MET 1 2HB MET 1 3.929 0.143 -0.191 4 HB3 MET 1 3HB MET 1 3.633 -1.385 -1.009 5 HG2 MET 1 2HG MET 1 4.403 -0.522 -3.080 6 HG3 MET 1 3HG MET 1 4.447 1.122 -2.448 7 HE1 MET 1 3HE MET 1 7.498 1.233 -0.183 8 HE2 MET 1 1HE MET 1 5.985 1.975 -0.703 9 HE3 MET 1 2HE MET 1 5.966 0.680 0.494 10 H LEU 2 H LEU 2 1.908 -2.390 -1.227 11 HA LEU 2 HA LEU 2 0.774 -2.670 -3.926 12 HB2 LEU 2 2HB LEU 2 2.783 -3.938 -3.642 13 HB3 LEU 2 3HB LEU 2 2.189 -4.636 -2.137 14 HG LEU 2 HG LEU 2 0.576 -5.181 -4.552 15 HD11 LEU 2 1HD1 LEU 2 2.466 -7.188 -4.637 16 HD12 LEU 2 2HD1 LEU 2 3.426 -5.720 -4.456 17 HD13 LEU 2 3HD1 LEU 2 2.289 -5.871 -5.795 18 HD21 LEU 2 3HD2 LEU 2 0.985 -7.532 -3.333 19 HD22 LEU 2 1HD2 LEU 2 -0.258 -6.387 -2.830 20 HD23 LEU 2 2HD2 LEU 2 1.284 -6.445 -1.977 21 H LEU 3 H LEU 3 -1.301 -3.175 -4.136 22 HA LEU 3 HA LEU 3 -2.648 -4.660 -2.001 23 HB2 LEU 3 2HB LEU 3 -4.414 -3.161 -1.784 24 HB3 LEU 3 3HB LEU 3 -2.980 -2.136 -1.810 25 HG LEU 3 HG LEU 3 -4.788 -2.609 -4.179 26 HD11 LEU 3 1HD1 LEU 3 -4.933 0.054 -3.343 27 HD12 LEU 3 2HD1 LEU 3 -5.112 -0.914 -1.880 28 HD13 LEU 3 3HD1 LEU 3 -6.197 -1.172 -3.246 29 HD21 LEU 3 3HD2 LEU 3 -2.366 -0.913 -3.690 30 HD22 LEU 3 1HD2 LEU 3 -3.565 -0.460 -4.902 31 HD23 LEU 3 2HD2 LEU 3 -2.714 -1.999 -5.037 32 H LYS 4 H LYS 4 -4.425 -5.887 -2.670 33 HA LYS 4 HA LYS 4 -4.671 -6.181 -5.591 34 HB2 LYS 4 2HB LYS 4 -3.739 -8.183 -4.719 35 HB3 LYS 4 3HB LYS 4 -4.862 -8.205 -3.366 36 HG2 LYS 4 2HG LYS 4 -6.197 -8.273 -5.951 37 HG3 LYS 4 3HG LYS 4 -5.108 -9.637 -5.691 38 HD2 LYS 4 2HD LYS 4 -6.886 -8.894 -3.442 39 HD3 LYS 4 3HD LYS 4 -7.651 -9.623 -4.856 40 HE2 LYS 4 2HE LYS 4 -5.199 -10.958 -3.940 41 HE3 LYS 4 3HE LYS 4 -6.544 -11.016 -2.803 42 HZ1 LYS 4 3HZ LYS 4 -6.863 -12.880 -4.110 43 HZ2 LYS 4 1HZ LYS 4 -6.389 -12.106 -5.538 44 HZ3 LYS 4 2HZ LYS 4 -7.890 -11.754 -4.843 45 H VAL 5 H VAL 5 -6.492 -5.304 -6.313 46 HA VAL 5 HA VAL 5 -8.891 -5.406 -4.614 47 HB VAL 5 HB VAL 5 -9.783 -3.597 -6.023 48 HG11 VAL 5 1HG1 VAL 5 -7.222 -3.296 -4.537 49 HG12 VAL 5 2HG1 VAL 5 -7.862 -1.902 -5.409 50 HG13 VAL 5 3HG1 VAL 5 -8.829 -2.679 -4.155 51 HG21 VAL 5 3HG2 VAL 5 -8.181 -2.427 -7.562 52 HG22 VAL 5 1HG2 VAL 5 -7.119 -3.826 -7.407 53 HG23 VAL 5 2HG2 VAL 5 -8.723 -4.011 -8.116 54 H LYS 6 H LYS 6 -10.574 -6.617 -5.198 55 HA LYS 6 HA LYS 6 -10.772 -7.512 -7.993 56 HB2 LYS 6 2HB LYS 6 -11.478 -9.738 -7.202 57 HB3 LYS 6 3HB LYS 6 -9.835 -9.352 -6.708 58 HG2 LYS 6 2HG LYS 6 -10.934 -8.564 -4.506 59 HG3 LYS 6 3HG LYS 6 -12.314 -9.521 -5.049 60 HD2 LYS 6 2HD LYS 6 -10.002 -11.102 -5.426 61 HD3 LYS 6 3HD LYS 6 -9.891 -10.397 -3.812 62 HE2 LYS 6 2HE LYS 6 -12.406 -11.141 -3.667 63 HE3 LYS 6 3HE LYS 6 -11.928 -12.260 -4.942 64 HZ1 LYS 6 3HZ LYS 6 -11.394 -13.533 -3.178 65 HZ2 LYS 6 1HZ LYS 6 -11.182 -12.221 -2.131 66 HZ3 LYS 6 2HZ LYS 6 -9.956 -12.643 -3.217 67 H THR 7 H THR 7 -12.704 -7.159 -8.869 68 HA THR 7 HA THR 7 -14.875 -6.231 -7.164 69 HB THR 7 HB THR 7 -14.298 -4.949 -9.200 70 HG1 THR 7 HG1 THR 7 -16.423 -4.794 -8.462 71 HG21 THR 7 3HG2 THR 7 -15.610 -6.641 -11.120 72 HG22 THR 7 1HG2 THR 7 -14.240 -7.487 -10.402 73 HG23 THR 7 2HG2 THR 7 -14.000 -5.923 -11.183 74 H VAL 8 H VAL 8 -17.150 -6.914 -7.980 75 HA VAL 8 HA VAL 8 -17.471 -9.655 -7.436 76 HB VAL 8 HB VAL 8 -19.206 -7.892 -7.049 77 HG11 VAL 8 1HG1 VAL 8 -18.996 -6.762 -9.219 78 HG12 VAL 8 2HG1 VAL 8 -19.683 -8.180 -10.014 79 HG13 VAL 8 3HG1 VAL 8 -20.660 -7.242 -8.884 80 HG21 VAL 8 3HG2 VAL 8 -20.970 -9.385 -7.208 81 HG22 VAL 8 1HG2 VAL 8 -20.400 -10.053 -8.737 82 HG23 VAL 8 2HG2 VAL 8 -19.569 -10.456 -7.235 83 H SER 9 H SER 9 -16.657 -8.044 -10.310 84 HA SER 9 HA SER 9 -17.776 -10.011 -12.107 85 HB2 SER 9 2HB SER 9 -16.877 -7.378 -12.376 86 HB3 SER 9 3HB SER 9 -15.704 -8.343 -13.272 87 HG SER 9 HG SER 9 -17.231 -8.105 -14.749 88 H ASN 10 H ASN 10 -15.501 -10.399 -9.960 89 HA ASN 10 HA ASN 10 -13.770 -11.851 -9.694 90 HB2 ASN 10 2HB ASN 10 -15.355 -12.987 -11.702 91 HB3 ASN 10 3HB ASN 10 -13.711 -13.062 -12.327 92 HD21 ASN 10 1HD2 ASN 10 -12.123 -13.647 -10.384 93 HD22 ASN 10 2HD2 ASN 10 -12.576 -15.088 -9.547 94 H LYS 11 H LYS 11 -13.450 -9.190 -10.952 95 HA LYS 11 HA LYS 11 -11.094 -9.607 -12.640 96 HB2 LYS 11 2HB LYS 11 -12.762 -7.164 -12.042 97 HB3 LYS 11 3HB LYS 11 -11.258 -7.097 -12.951 98 HG2 LYS 11 2HG LYS 11 -12.240 -8.681 -14.589 99 HG3 LYS 11 3HG LYS 11 -13.767 -8.577 -13.710 100 HD2 LYS 11 2HD LYS 11 -14.213 -6.482 -14.463 101 HD3 LYS 11 3HD LYS 11 -12.511 -6.017 -14.501 102 HE2 LYS 11 2HE LYS 11 -13.320 -8.097 -16.427 103 HE3 LYS 11 3HE LYS 11 -13.999 -6.493 -16.703 104 HZ1 LYS 11 3HZ LYS 11 -11.873 -5.564 -16.918 105 HZ2 LYS 11 1HZ LYS 11 -11.803 -7.001 -17.808 106 HZ3 LYS 11 2HZ LYS 11 -11.103 -6.924 -16.270 107 H VAL 12 H VAL 12 -9.585 -10.238 -11.090 108 HA VAL 12 HA VAL 12 -9.042 -8.437 -8.861 109 HB VAL 12 HB VAL 12 -7.573 -10.981 -9.542 110 HG11 VAL 12 1HG1 VAL 12 -6.286 -9.910 -7.966 111 HG12 VAL 12 2HG1 VAL 12 -7.676 -9.143 -7.194 112 HG13 VAL 12 3HG1 VAL 12 -7.358 -10.859 -6.937 113 HG21 VAL 12 3HG2 VAL 12 -9.288 -11.497 -7.411 114 HG22 VAL 12 1HG2 VAL 12 -10.276 -10.628 -8.585 115 HG23 VAL 12 2HG2 VAL 12 -9.436 -12.104 -9.061 116 H ILE 13 H ILE 13 -7.406 -7.025 -8.804 117 HA ILE 13 HA ILE 13 -5.311 -7.223 -10.862 118 HB ILE 13 HB ILE 13 -6.590 -4.647 -9.942 119 HG12 ILE 13 2HG1 ILE 13 -8.127 -5.928 -11.347 120 HG13 ILE 13 3HG1 ILE 13 -7.518 -4.528 -12.224 121 HG21 ILE 13 1HG2 ILE 13 -5.273 -3.952 -12.136 122 HG22 ILE 13 2HG2 ILE 13 -4.507 -3.959 -10.549 123 HG23 ILE 13 3HG2 ILE 13 -4.260 -5.311 -11.653 124 HD11 ILE 13 3HD1 ILE 13 -5.777 -6.682 -12.764 125 HD12 ILE 13 1HD1 ILE 13 -7.429 -7.268 -12.953 126 HD13 ILE 13 2HD1 ILE 13 -6.882 -5.860 -13.864 127 H GLN 14 H GLN 14 -3.410 -7.492 -9.915 128 HA GLN 14 HA GLN 14 -2.988 -6.398 -7.224 129 HB2 GLN 14 2HB GLN 14 -1.030 -7.964 -7.170 130 HB3 GLN 14 3HB GLN 14 -2.595 -8.755 -7.307 131 HG2 GLN 14 2HG GLN 14 -1.572 -8.246 -9.921 132 HG3 GLN 14 3HG GLN 14 -0.338 -9.057 -8.957 133 HE21 GLN 14 1HE2 GLN 14 -2.956 -9.506 -10.923 134 HE22 GLN 14 2HE2 GLN 14 -3.359 -11.128 -10.488 135 H ILE 15 H ILE 15 -2.036 -4.476 -7.200 136 HA ILE 15 HA ILE 15 0.143 -3.973 -9.121 137 HB ILE 15 HB ILE 15 -0.401 -1.577 -8.995 138 HG12 ILE 15 2HG1 ILE 15 -1.608 -1.992 -6.692 139 HG13 ILE 15 3HG1 ILE 15 -2.143 -0.696 -7.756 140 HG21 ILE 15 1HG2 ILE 15 -2.694 -1.779 -10.154 141 HG22 ILE 15 2HG2 ILE 15 -1.309 -2.597 -10.876 142 HG23 ILE 15 3HG2 ILE 15 -2.482 -3.516 -9.933 143 HD11 ILE 15 3HD1 ILE 15 -4.094 -1.739 -8.271 144 HD12 ILE 15 1HD1 ILE 15 -3.419 -3.354 -8.056 145 HD13 ILE 15 2HD1 ILE 15 -3.836 -2.378 -6.648 146 H THR 16 H THR 16 1.912 -2.708 -8.383 147 HA THR 16 HA THR 16 2.187 -2.641 -5.448 148 HB THR 16 HB THR 16 3.642 -4.359 -6.275 149 HG1 THR 16 HG1 THR 16 5.442 -2.212 -6.000 150 HG21 THR 16 3HG2 THR 16 4.082 -2.447 -8.450 151 HG22 THR 16 1HG2 THR 16 4.199 -4.206 -8.448 152 HG23 THR 16 2HG2 THR 16 5.553 -3.231 -7.876 153 H SER 17 H SER 17 1.164 -0.428 -6.133 154 HA SER 17 HA SER 17 3.161 1.546 -5.747 155 HB2 SER 17 2HB SER 17 3.721 1.529 -8.006 156 HB3 SER 17 3HB SER 17 2.073 1.163 -8.516 157 HG SER 17 HG SER 17 2.910 3.625 -7.376 158 H LEU 18 H LEU 18 1.713 1.941 -4.013 159 HA LEU 18 HA LEU 18 -0.852 3.161 -4.769 160 HB2 LEU 18 2HB LEU 18 -0.030 1.427 -2.630 161 HB3 LEU 18 3HB LEU 18 -0.705 2.919 -1.978 162 HG LEU 18 HG LEU 18 -2.100 1.055 -3.898 163 HD11 LEU 18 1HD1 LEU 18 -2.095 -0.094 -1.886 164 HD12 LEU 18 2HD1 LEU 18 -3.605 0.813 -1.814 165 HD13 LEU 18 3HD1 LEU 18 -2.192 1.382 -0.925 166 HD21 LEU 18 3HD2 LEU 18 -4.074 2.522 -3.027 167 HD22 LEU 18 1HD2 LEU 18 -3.056 3.101 -4.346 168 HD23 LEU 18 2HD2 LEU 18 -2.802 3.701 -2.707 169 H THR 19 H THR 19 -1.494 5.140 -3.789 170 HA THR 19 HA THR 19 0.735 6.951 -3.374 171 HB THR 19 HB THR 19 -2.002 8.010 -3.079 172 HG1 THR 19 HG1 THR 19 -2.750 7.164 -4.859 173 HG21 THR 19 3HG2 THR 19 0.590 8.890 -3.885 174 HG22 THR 19 1HG2 THR 19 -0.861 9.850 -3.599 175 HG23 THR 19 2HG2 THR 19 -0.543 9.187 -5.202 176 H ASP 20 H ASP 20 0.167 8.779 -1.674 177 HA ASP 20 HA ASP 20 -0.614 7.452 0.838 178 HB2 ASP 20 2HB ASP 20 1.093 9.205 1.824 179 HB3 ASP 20 3HB ASP 20 1.654 7.659 1.195 180 H ASP 21 H ASP 21 -1.576 9.654 -1.303 181 HA ASP 21 HA ASP 21 -2.387 11.698 0.625 182 HB2 ASP 21 2HB ASP 21 -1.759 11.704 -2.168 183 HB3 ASP 21 3HB ASP 21 -3.414 12.268 -1.958 184 H ASN 22 H ASN 22 -3.854 9.593 -1.845 185 HA ASN 22 HA ASN 22 -6.399 9.805 -0.373 186 HB2 ASN 22 2HB ASN 22 -5.810 9.645 -3.310 187 HB3 ASN 22 3HB ASN 22 -7.349 9.052 -2.691 188 HD21 ASN 22 1HD2 ASN 22 -8.426 10.647 -1.134 189 HD22 ASN 22 2HD2 ASN 22 -8.455 12.294 -1.653 190 H THR 23 H THR 23 -4.319 7.652 -2.265 191 HA THR 23 HA THR 23 -4.034 5.394 -2.245 192 HB THR 23 HB THR 23 -5.304 5.657 0.484 193 HG1 THR 23 HG1 THR 23 -3.079 6.558 -0.192 194 HG21 THR 23 3HG2 THR 23 -5.620 3.405 0.025 195 HG22 THR 23 1HG2 THR 23 -4.032 3.408 0.790 196 HG23 THR 23 2HG2 THR 23 -4.165 3.297 -0.965 197 H ILE 24 H ILE 24 -6.982 5.321 -0.302 198 HA ILE 24 HA ILE 24 -8.202 3.393 -1.993 199 HB ILE 24 HB ILE 24 -9.478 5.086 0.158 200 HG12 ILE 24 2HG1 ILE 24 -9.200 2.627 1.248 201 HG13 ILE 24 3HG1 ILE 24 -7.777 2.662 0.213 202 HG21 ILE 24 1HG2 ILE 24 -10.490 3.008 -1.629 203 HG22 ILE 24 2HG2 ILE 24 -10.826 2.711 0.076 204 HG23 ILE 24 3HG2 ILE 24 -11.361 4.212 -0.680 205 HD11 ILE 24 3HD1 ILE 24 -8.137 5.096 1.772 206 HD12 ILE 24 1HD1 ILE 24 -7.925 3.645 2.753 207 HD13 ILE 24 2HD1 ILE 24 -6.710 4.084 1.552 208 H ALA 25 H ALA 25 -8.922 6.824 -1.367 209 HA ALA 25 HA ALA 25 -11.055 7.085 -3.148 210 HB1 ALA 25 1HB ALA 25 -9.783 8.744 -1.394 211 HB2 ALA 25 2HB ALA 25 -9.348 9.452 -2.949 212 HB3 ALA 25 3HB ALA 25 -11.045 9.235 -2.524 213 H GLU 26 H GLU 26 -7.575 7.383 -3.672 214 HA GLU 26 HA GLU 26 -7.759 8.320 -6.346 215 HB2 GLU 26 2HB GLU 26 -5.736 8.660 -5.048 216 HB3 GLU 26 3HB GLU 26 -5.508 6.924 -4.890 217 HG2 GLU 26 2HG GLU 26 -4.314 6.909 -6.744 218 HG3 GLU 26 3HG GLU 26 -5.702 7.511 -7.649 219 H LEU 27 H LEU 27 -7.464 5.116 -4.898 220 HA LEU 27 HA LEU 27 -7.079 3.695 -7.313 221 HB2 LEU 27 2HB LEU 27 -7.364 3.102 -4.537 222 HB3 LEU 27 3HB LEU 27 -8.438 2.049 -5.455 223 HG LEU 27 HG LEU 27 -6.223 1.047 -4.981 224 HD11 LEU 27 1HD1 LEU 27 -6.716 -0.149 -6.779 225 HD12 LEU 27 2HD1 LEU 27 -5.861 1.032 -7.770 226 HD13 LEU 27 3HD1 LEU 27 -7.593 1.208 -7.485 227 HD21 LEU 27 3HD2 LEU 27 -4.237 1.864 -5.958 228 HD22 LEU 27 1HD2 LEU 27 -5.006 3.258 -5.198 229 HD23 LEU 27 2HD2 LEU 27 -5.112 3.036 -6.945 230 H LYS 28 H LYS 28 -9.987 4.288 -5.351 231 HA LYS 28 HA LYS 28 -11.774 2.937 -7.069 232 HB2 LYS 28 2HB LYS 28 -13.540 4.055 -5.824 233 HB3 LYS 28 3HB LYS 28 -12.297 3.478 -4.723 234 HG2 LYS 28 2HG LYS 28 -11.346 5.773 -4.687 235 HG3 LYS 28 3HG LYS 28 -12.723 6.308 -5.653 236 HD2 LYS 28 2HD LYS 28 -12.916 4.987 -2.947 237 HD3 LYS 28 3HD LYS 28 -13.022 6.725 -3.234 238 HE2 LYS 28 2HE LYS 28 -14.872 5.814 -4.982 239 HE3 LYS 28 3HE LYS 28 -14.998 4.594 -3.716 240 HZ1 LYS 28 3HZ LYS 28 -16.522 6.382 -3.281 241 HZ2 LYS 28 1HZ LYS 28 -15.281 7.529 -3.365 242 HZ3 LYS 28 2HZ LYS 28 -15.307 6.401 -2.105 243 H GLY 29 H GLY 29 -10.713 6.304 -6.889 244 HA2 GLY 29 2HA GLY 29 -12.534 7.310 -8.816 245 HA3 GLY 29 3HA GLY 29 -11.042 8.084 -8.305 246 H LYS 30 H LYS 30 -9.349 5.852 -9.070 247 HA LYS 30 HA LYS 30 -8.931 6.573 -11.798 248 HB2 LYS 30 2HB LYS 30 -7.630 4.651 -9.897 249 HB3 LYS 30 3HB LYS 30 -7.222 4.611 -11.608 250 HG2 LYS 30 2HG LYS 30 -7.142 7.268 -10.344 251 HG3 LYS 30 3HG LYS 30 -5.934 6.110 -9.784 252 HD2 LYS 30 2HD LYS 30 -5.108 5.793 -12.006 253 HD3 LYS 30 3HD LYS 30 -6.440 6.728 -12.691 254 HE2 LYS 30 2HE LYS 30 -4.634 8.211 -12.699 255 HE3 LYS 30 3HE LYS 30 -5.560 8.667 -11.269 256 HZ1 LYS 30 3HZ LYS 30 -3.838 6.812 -10.315 257 HZ2 LYS 30 1HZ LYS 30 -3.622 8.487 -10.211 258 HZ3 LYS 30 2HZ LYS 30 -2.892 7.617 -11.464 259 H LEU 31 H LEU 31 -10.350 3.815 -10.151 260 HA LEU 31 HA LEU 31 -10.516 2.127 -12.428 261 HB2 LEU 31 2HB LEU 31 -10.739 1.594 -9.888 262 HB3 LEU 31 3HB LEU 31 -12.441 1.970 -10.147 263 HG LEU 31 HG LEU 31 -11.057 -0.070 -11.850 264 HD11 LEU 31 1HD1 LEU 31 -11.315 -1.762 -10.320 265 HD12 LEU 31 2HD1 LEU 31 -12.527 -0.884 -9.387 266 HD13 LEU 31 3HD1 LEU 31 -10.826 -0.431 -9.270 267 HD21 LEU 31 3HD2 LEU 31 -13.715 -0.727 -11.165 268 HD22 LEU 31 1HD2 LEU 31 -13.086 -0.216 -12.731 269 HD23 LEU 31 2HD2 LEU 31 -13.696 0.984 -11.592 270 H GLU 32 H GLU 32 -12.782 4.379 -10.896 271 HA GLU 32 HA GLU 32 -14.954 3.822 -12.629 272 HB2 GLU 32 2HB GLU 32 -15.907 5.933 -11.754 273 HB3 GLU 32 3HB GLU 32 -15.341 4.862 -10.479 274 HG2 GLU 32 2HG GLU 32 -13.280 6.189 -10.305 275 HG3 GLU 32 3HG GLU 32 -13.903 7.284 -11.538 276 H GLU 33 H GLU 33 -12.358 6.215 -12.685 277 HA GLU 33 HA GLU 33 -13.335 7.669 -14.915 278 HB2 GLU 33 2HB GLU 33 -11.490 8.255 -13.130 279 HB3 GLU 33 3HB GLU 33 -10.412 7.509 -14.302 280 HG2 GLU 33 2HG GLU 33 -10.366 9.806 -14.765 281 HG3 GLU 33 3HG GLU 33 -11.385 9.091 -16.013 282 H SER 34 H SER 34 -11.259 4.862 -14.566 283 HA SER 34 HA SER 34 -10.257 4.780 -17.197 284 HB2 SER 34 2HB SER 34 -9.284 3.469 -15.353 285 HB3 SER 34 3HB SER 34 -10.746 2.484 -15.283 286 HG SER 34 HG SER 34 -8.986 2.711 -17.500 287 H GLU 35 H GLU 35 -13.101 3.267 -15.710 288 HA GLU 35 HA GLU 35 -13.932 2.063 -18.193 289 HB2 GLU 35 2HB GLU 35 -15.073 2.207 -15.424 290 HB3 GLU 35 3HB GLU 35 -16.073 1.655 -16.761 291 HG2 GLU 35 2HG GLU 35 -13.400 0.415 -16.389 292 HG3 GLU 35 3HG GLU 35 -14.699 -0.026 -15.282 293 H GLY 36 H GLY 36 -14.061 5.152 -16.988 294 HA2 GLY 36 2HA GLY 36 -15.002 6.986 -18.116 295 HA3 GLY 36 3HA GLY 36 -16.100 5.888 -18.939 296 H ILE 37 H ILE 37 -17.206 4.560 -16.758 297 HA ILE 37 HA ILE 37 -18.387 6.674 -15.107 298 HB ILE 37 HB ILE 37 -20.645 5.557 -15.452 299 HG12 ILE 37 2HG1 ILE 37 -19.628 4.666 -18.114 300 HG13 ILE 37 3HG1 ILE 37 -19.353 3.619 -16.725 301 HG21 ILE 37 1HG2 ILE 37 -19.896 7.761 -16.405 302 HG22 ILE 37 2HG2 ILE 37 -19.526 6.903 -17.899 303 HG23 ILE 37 3HG2 ILE 37 -21.183 6.950 -17.297 304 HD11 ILE 37 3HD1 ILE 37 -21.369 2.996 -17.924 305 HD12 ILE 37 1HD1 ILE 37 -21.749 3.555 -16.296 306 HD13 ILE 37 2HD1 ILE 37 -22.027 4.614 -17.679 307 HA PRO 38 HA PRO 38 -18.084 3.773 -11.826 308 HB2 PRO 38 2HB PRO 38 -20.208 4.484 -10.292 309 HB3 PRO 38 3HB PRO 38 -18.745 5.468 -10.423 310 HG2 PRO 38 2HG PRO 38 -21.372 5.781 -11.826 311 HG3 PRO 38 3HG PRO 38 -20.341 7.023 -11.090 312 HD2 PRO 38 2HD PRO 38 -20.386 6.560 -13.757 313 HD3 PRO 38 3HD PRO 38 -18.926 7.104 -12.907 314 H GLY 39 H GLY 39 -18.726 1.732 -11.354 315 HA2 GLY 39 2HA GLY 39 -20.521 0.361 -12.983 316 HA3 GLY 39 3HA GLY 39 -19.923 -0.224 -11.438 317 H ASN 40 H ASN 40 -21.012 1.594 -9.685 318 HA ASN 40 HA ASN 40 -23.673 2.281 -10.000 319 HB2 ASN 40 2HB ASN 40 -23.324 -0.554 -9.786 320 HB3 ASN 40 3HB ASN 40 -24.152 0.027 -8.344 321 HD21 ASN 40 1HD2 ASN 40 -26.056 1.385 -8.691 322 HD22 ASN 40 2HD2 ASN 40 -27.062 1.064 -10.059 323 H MET 41 H MET 41 -22.209 0.300 -7.427 324 HA MET 41 HA MET 41 -22.620 2.550 -5.582 325 HB2 MET 41 2HB MET 41 -22.549 -0.420 -5.236 326 HB3 MET 41 3HB MET 41 -22.131 0.610 -3.873 327 HG2 MET 41 2HG MET 41 -24.345 1.791 -4.304 328 HG3 MET 41 3HG MET 41 -24.736 0.421 -5.341 329 HE1 MET 41 3HE MET 41 -26.034 0.636 -1.267 330 HE2 MET 41 1HE MET 41 -25.343 1.942 -2.232 331 HE3 MET 41 2HE MET 41 -26.718 1.024 -2.846 332 H ILE 42 H ILE 42 -20.230 0.184 -6.660 333 HA ILE 42 HA ILE 42 -17.966 0.076 -6.439 334 HB ILE 42 HB ILE 42 -17.988 3.058 -6.047 335 HG12 ILE 42 2HG1 ILE 42 -17.737 2.751 -8.741 336 HG13 ILE 42 3HG1 ILE 42 -18.888 1.472 -8.368 337 HG21 ILE 42 1HG2 ILE 42 -15.865 3.016 -7.076 338 HG22 ILE 42 2HG2 ILE 42 -15.865 1.686 -5.919 339 HG23 ILE 42 3HG2 ILE 42 -16.086 1.359 -7.638 340 HD11 ILE 42 3HD1 ILE 42 -19.839 3.659 -6.970 341 HD12 ILE 42 1HD1 ILE 42 -19.273 4.331 -8.499 342 HD13 ILE 42 2HD1 ILE 42 -20.461 3.026 -8.494 343 H ARG 43 H ARG 43 -19.048 -0.676 -4.155 344 HA ARG 43 HA ARG 43 -17.566 0.768 -2.057 345 HB2 ARG 43 2HB ARG 43 -20.239 0.306 -2.095 346 HB3 ARG 43 3HB ARG 43 -19.679 -1.127 -1.243 347 HG2 ARG 43 2HG ARG 43 -20.000 0.263 0.523 348 HG3 ARG 43 3HG ARG 43 -18.323 0.660 0.147 349 HD2 ARG 43 2HD ARG 43 -19.380 2.735 0.402 350 HD3 ARG 43 3HD ARG 43 -19.272 2.501 -1.342 351 HE ARG 43 HE ARG 43 -21.564 2.387 -1.441 352 HH11 ARG 43 1HH1 ARG 43 -20.528 2.150 1.874 353 HH12 ARG 43 2HH1 ARG 43 -22.128 2.300 2.521 354 HH21 ARG 43 1HH2 ARG 43 -23.675 2.587 -0.601 355 HH22 ARG 43 2HH2 ARG 43 -23.917 2.548 1.112 356 H LEU 44 H LEU 44 -15.790 -0.244 -1.422 357 HA LEU 44 HA LEU 44 -15.653 -3.169 -1.673 358 HB2 LEU 44 2HB LEU 44 -13.215 -2.878 -1.557 359 HB3 LEU 44 3HB LEU 44 -13.943 -2.016 -2.911 360 HG LEU 44 HG LEU 44 -13.844 -0.102 -0.929 361 HD11 LEU 44 1HD1 LEU 44 -12.153 -0.427 0.474 362 HD12 LEU 44 2HD1 LEU 44 -11.072 -0.912 -0.831 363 HD13 LEU 44 3HD1 LEU 44 -12.126 -2.104 -0.070 364 HD21 LEU 44 3HD2 LEU 44 -11.535 -0.388 -2.778 365 HD22 LEU 44 1HD2 LEU 44 -12.529 1.023 -2.415 366 HD23 LEU 44 2HD2 LEU 44 -13.150 -0.243 -3.475 367 H VAL 45 H VAL 45 -14.605 -4.384 0.021 368 HA VAL 45 HA VAL 45 -14.951 -3.134 2.668 369 HB VAL 45 HB VAL 45 -15.113 -6.080 2.030 370 HG11 VAL 45 1HG1 VAL 45 -15.948 -6.343 4.252 371 HG12 VAL 45 2HG1 VAL 45 -14.450 -5.414 4.347 372 HG13 VAL 45 3HG1 VAL 45 -16.007 -4.597 4.495 373 HG21 VAL 45 3HG2 VAL 45 -17.625 -5.180 2.827 374 HG22 VAL 45 1HG2 VAL 45 -17.058 -3.976 1.670 375 HG23 VAL 45 2HG2 VAL 45 -17.142 -5.675 1.205 376 H TYR 46 H TYR 46 -13.156 -2.822 3.793 377 HA TYR 46 HA TYR 46 -10.751 -4.345 3.073 378 HB2 TYR 46 2HB TYR 46 -11.004 -1.681 3.223 379 HB3 TYR 46 3HB TYR 46 -10.580 -2.007 4.900 380 HD1 TYR 46 HD1 TYR 46 -9.421 -3.420 1.635 381 HD2 TYR 46 HD2 TYR 46 -8.365 -1.503 5.283 382 HE1 TYR 46 HE1 TYR 46 -7.047 -3.541 1.004 383 HE2 TYR 46 HE2 TYR 46 -5.988 -1.617 4.662 384 HH TYR 46 HH TYR 46 -4.515 -2.809 3.231 385 H GLN 47 H GLN 47 -10.281 -6.009 4.333 386 HA GLN 47 HA GLN 47 -10.104 -7.380 6.140 387 HB2 GLN 47 2HB GLN 47 -8.977 -4.975 6.832 388 HB3 GLN 47 3HB GLN 47 -10.114 -5.241 8.147 389 HG2 GLN 47 2HG GLN 47 -9.071 -7.593 8.275 390 HG3 GLN 47 3HG GLN 47 -7.758 -6.889 7.333 391 HE21 GLN 47 1HE2 GLN 47 -6.903 -7.773 9.577 392 HE22 GLN 47 2HE2 GLN 47 -6.691 -6.544 10.771 393 H GLY 48 H GLY 48 -12.754 -6.701 5.271 394 HA2 GLY 48 2HA GLY 48 -14.858 -7.356 5.997 395 HA3 GLY 48 3HA GLY 48 -14.196 -7.583 7.610 396 H LYS 49 H LYS 49 -13.301 -4.575 6.531 397 HA LYS 49 HA LYS 49 -15.542 -3.327 7.974 398 HB2 LYS 49 2HB LYS 49 -12.702 -3.012 8.166 399 HB3 LYS 49 3HB LYS 49 -13.408 -1.486 7.651 400 HG2 LYS 49 2HG LYS 49 -13.214 -1.598 10.070 401 HG3 LYS 49 3HG LYS 49 -14.905 -1.517 9.572 402 HD2 LYS 49 2HD LYS 49 -14.670 -3.148 11.335 403 HD3 LYS 49 3HD LYS 49 -15.054 -3.976 9.824 404 HE2 LYS 49 2HE LYS 49 -12.798 -4.677 9.542 405 HE3 LYS 49 3HE LYS 49 -12.244 -3.631 10.849 406 HZ1 LYS 49 3HZ LYS 49 -13.827 -6.122 11.047 407 HZ2 LYS 49 1HZ LYS 49 -13.741 -5.017 12.325 408 HZ3 LYS 49 2HZ LYS 49 -12.334 -5.766 11.760 409 H GLN 50 H GLN 50 -16.132 -1.118 7.252 410 HA GLN 50 HA GLN 50 -15.896 -0.868 4.325 411 HB2 GLN 50 2HB GLN 50 -18.238 0.093 5.963 412 HB3 GLN 50 3HB GLN 50 -18.133 -0.052 4.214 413 HG2 GLN 50 2HG GLN 50 -17.911 -2.530 4.532 414 HG3 GLN 50 3HG GLN 50 -18.295 -2.270 6.233 415 HE21 GLN 50 1HE2 GLN 50 -19.535 -1.228 3.071 416 HE22 GLN 50 2HE2 GLN 50 -21.198 -1.516 3.438 417 H LEU 51 H LEU 51 -16.133 1.349 3.494 418 HA LEU 51 HA LEU 51 -15.511 3.534 3.401 419 HB2 LEU 51 2HB LEU 51 -15.808 3.727 6.373 420 HB3 LEU 51 3HB LEU 51 -16.111 4.955 5.146 421 HG LEU 51 HG LEU 51 -17.828 2.513 5.580 422 HD11 LEU 51 1HD1 LEU 51 -18.020 3.892 7.520 423 HD12 LEU 51 2HD1 LEU 51 -19.449 4.155 6.522 424 HD13 LEU 51 3HD1 LEU 51 -18.153 5.350 6.536 425 HD21 LEU 51 3HD2 LEU 51 -17.838 3.471 3.296 426 HD22 LEU 51 1HD2 LEU 51 -18.342 5.016 3.981 427 HD23 LEU 51 2HD2 LEU 51 -19.394 3.607 4.116 428 H GLU 52 H GLU 52 -13.399 3.470 2.841 429 HA GLU 52 HA GLU 52 -11.442 3.499 5.042 430 HB2 GLU 52 2HB GLU 52 -11.074 2.286 2.297 431 HB3 GLU 52 3HB GLU 52 -9.832 2.397 3.536 432 HG2 GLU 52 2HG GLU 52 -12.283 0.686 3.481 433 HG3 GLU 52 3HG GLU 52 -10.599 0.211 3.692 434 H ASP 53 H ASP 53 -12.877 5.291 2.716 435 HA ASP 53 HA ASP 53 -10.871 6.614 1.339 436 HB2 ASP 53 2HB ASP 53 -13.581 6.871 1.507 437 HB3 ASP 53 3HB ASP 53 -13.049 8.348 2.306 438 H GLU 54 H GLU 54 -12.097 7.193 4.603 439 HA GLU 54 HA GLU 54 -10.593 9.545 5.083 440 HB2 GLU 54 2HB GLU 54 -12.512 8.024 6.466 441 HB3 GLU 54 3HB GLU 54 -11.090 8.048 7.499 442 HG2 GLU 54 2HG GLU 54 -11.653 10.663 6.407 443 HG3 GLU 54 3HG GLU 54 -13.032 10.010 7.290 444 H LYS 55 H LYS 55 -9.786 6.207 5.069 445 HA LYS 55 HA LYS 55 -7.331 6.654 6.599 446 HB2 LYS 55 2HB LYS 55 -8.817 4.213 5.691 447 HB3 LYS 55 3HB LYS 55 -7.115 4.093 6.117 448 HG2 LYS 55 2HG LYS 55 -8.188 3.542 8.088 449 HG3 LYS 55 3HG LYS 55 -7.811 5.252 8.312 450 HD2 LYS 55 2HD LYS 55 -9.977 5.836 8.369 451 HD3 LYS 55 3HD LYS 55 -10.391 4.774 7.021 452 HE2 LYS 55 2HE LYS 55 -11.017 3.090 8.379 453 HE3 LYS 55 3HE LYS 55 -9.712 3.394 9.524 454 HZ1 LYS 55 3HZ LYS 55 -11.938 3.804 10.454 455 HZ2 LYS 55 1HZ LYS 55 -12.180 5.032 9.316 456 HZ3 LYS 55 2HZ LYS 55 -10.963 5.185 10.480 457 H ARG 56 H ARG 56 -7.508 7.948 4.107 458 HA ARG 56 HA ARG 56 -6.494 6.686 1.893 459 HB2 ARG 56 2HB ARG 56 -5.234 9.001 1.601 460 HB3 ARG 56 3HB ARG 56 -6.981 8.877 1.444 461 HG2 ARG 56 2HG ARG 56 -6.068 9.376 4.175 462 HG3 ARG 56 3HG ARG 56 -5.663 10.655 3.028 463 HD2 ARG 56 2HD ARG 56 -8.234 10.144 2.343 464 HD3 ARG 56 3HD ARG 56 -8.276 9.798 4.072 465 HE ARG 56 HE ARG 56 -7.021 12.181 3.972 466 HH11 ARG 56 1HH1 ARG 56 -9.985 11.007 2.574 467 HH12 ARG 56 2HH1 ARG 56 -10.765 12.553 2.604 468 HH21 ARG 56 1HH2 ARG 56 -8.037 14.223 4.017 469 HH22 ARG 56 2HH2 ARG 56 -9.655 14.383 3.424 470 H LEU 57 H LEU 57 -4.296 8.741 3.758 471 HA LEU 57 HA LEU 57 -1.987 7.367 2.949 472 HB2 LEU 57 2HB LEU 57 -2.293 9.736 3.959 473 HB3 LEU 57 3HB LEU 57 -2.119 8.914 5.508 474 HG LEU 57 HG LEU 57 -0.041 8.634 3.362 475 HD11 LEU 57 1HD1 LEU 57 -0.693 11.086 4.178 476 HD12 LEU 57 2HD1 LEU 57 0.971 10.599 3.857 477 HD13 LEU 57 3HD1 LEU 57 0.364 10.625 5.513 478 HD21 LEU 57 3HD2 LEU 57 0.734 7.224 4.908 479 HD22 LEU 57 1HD2 LEU 57 -0.391 7.815 6.131 480 HD23 LEU 57 2HD2 LEU 57 1.132 8.659 5.855 481 H LYS 58 H LYS 58 -4.073 6.998 5.748 482 HA LYS 58 HA LYS 58 -2.446 5.384 7.339 483 HB2 LYS 58 2HB LYS 58 -5.175 6.216 7.302 484 HB3 LYS 58 3HB LYS 58 -5.135 4.479 7.577 485 HG2 LYS 58 2HG LYS 58 -3.161 5.818 9.192 486 HG3 LYS 58 3HG LYS 58 -4.768 6.496 9.459 487 HD2 LYS 58 2HD LYS 58 -5.643 4.247 9.882 488 HD3 LYS 58 3HD LYS 58 -4.034 3.572 9.617 489 HE2 LYS 58 2HE LYS 58 -3.190 4.899 11.509 490 HE3 LYS 58 3HE LYS 58 -4.816 5.520 11.785 491 HZ1 LYS 58 3HZ LYS 58 -3.682 2.957 12.476 492 HZ2 LYS 58 1HZ LYS 58 -5.222 2.865 11.782 493 HZ3 LYS 58 2HZ LYS 58 -4.977 3.792 13.175 494 H ASP 59 H ASP 59 -4.211 4.663 4.443 495 HA ASP 59 HA ASP 59 -4.065 1.798 4.791 496 HB2 ASP 59 2HB ASP 59 -5.246 3.665 2.829 497 HB3 ASP 59 3HB ASP 59 -4.696 2.127 2.170 498 H TYR 60 H TYR 60 -1.994 4.242 3.697 499 HA TYR 60 HA TYR 60 -0.557 2.728 1.741 500 HB2 TYR 60 2HB TYR 60 -0.572 5.184 1.708 501 HB3 TYR 60 3HB TYR 60 0.254 5.215 3.261 502 HD1 TYR 60 HD1 TYR 60 0.715 3.647 -0.107 503 HD2 TYR 60 HD2 TYR 60 2.519 5.616 3.206 504 HE1 TYR 60 HE1 TYR 60 2.884 3.599 -1.266 505 HE2 TYR 60 HE2 TYR 60 4.692 5.574 2.055 506 HH TYR 60 HH TYR 60 5.841 4.575 0.327 507 H GLN 61 H GLN 61 -0.591 2.819 5.148 508 HA GLN 61 HA GLN 61 2.125 1.894 5.496 509 HB2 GLN 61 2HB GLN 61 0.125 3.026 7.157 510 HB3 GLN 61 3HB GLN 61 0.510 1.442 7.817 511 HG2 GLN 61 2HG GLN 61 2.917 2.834 7.103 512 HG3 GLN 61 3HG GLN 61 1.919 3.828 8.163 513 HE21 GLN 61 1HE2 GLN 61 1.523 3.156 10.256 514 HE22 GLN 61 2HE2 GLN 61 2.414 1.881 11.007 515 H MET 62 H MET 62 -0.517 0.449 4.292 516 HA MET 62 HA MET 62 -0.288 -2.082 5.698 517 HB2 MET 62 2HB MET 62 -1.927 -1.540 3.227 518 HB3 MET 62 3HB MET 62 -2.165 -2.799 4.431 519 HG2 MET 62 2HG MET 62 -2.492 0.147 4.943 520 HG3 MET 62 3HG MET 62 -3.807 -0.968 4.581 521 HE1 MET 62 3HE MET 62 -3.931 -3.149 5.654 522 HE2 MET 62 1HE MET 62 -3.163 -3.633 7.166 523 HE3 MET 62 2HE MET 62 -4.729 -2.823 7.193 524 H SER 63 H SER 63 -0.279 -1.277 2.222 525 HA SER 63 HA SER 63 0.879 -2.146 0.467 526 HB2 SER 63 2HB SER 63 3.102 -2.767 2.408 527 HB3 SER 63 3HB SER 63 3.229 -2.338 0.702 528 HG SER 63 HG SER 63 2.861 -0.715 2.927 529 H ALA 64 H ALA 64 -0.743 -3.921 2.230 530 HA ALA 64 HA ALA 64 -0.264 -6.355 0.915 531 HB1 ALA 64 1HB ALA 64 0.907 -6.105 3.661 532 HB2 ALA 64 2HB ALA 64 0.348 -7.662 3.048 533 HB3 ALA 64 3HB ALA 64 1.624 -6.788 2.201 534 H GLY 65 H GLY 65 -2.517 -4.870 1.253 535 HA2 GLY 65 2HA GLY 65 -4.119 -6.536 3.095 536 HA3 GLY 65 3HA GLY 65 -4.428 -4.821 2.868 537 H ALA 66 H ALA 66 -5.434 -7.839 2.021 538 HA ALA 66 HA ALA 66 -6.029 -7.610 -0.716 539 HB1 ALA 66 1HB ALA 66 -8.053 -9.169 0.402 540 HB2 ALA 66 2HB ALA 66 -6.533 -9.732 -0.294 541 HB3 ALA 66 3HB ALA 66 -6.648 -9.421 1.438 542 H THR 67 H THR 67 -7.671 -6.693 -1.823 543 HA THR 67 HA THR 67 -9.762 -5.317 -0.265 544 HB THR 67 HB THR 67 -9.392 -4.024 -2.788 545 HG1 THR 67 HG1 THR 67 -7.274 -4.454 -2.908 546 HG21 THR 67 3HG2 THR 67 -10.083 -3.335 -0.248 547 HG22 THR 67 1HG2 THR 67 -9.690 -2.181 -1.523 548 HG23 THR 67 2HG2 THR 67 -8.457 -2.661 -0.357 549 H PHE 68 H PHE 68 -11.837 -5.446 -1.000 550 HA PHE 68 HA PHE 68 -12.297 -6.902 -3.513 551 HB2 PHE 68 2HB PHE 68 -12.672 -8.550 -1.844 552 HB3 PHE 68 3HB PHE 68 -13.542 -7.417 -0.816 553 HD1 PHE 68 HD1 PHE 68 -15.843 -6.795 -1.317 554 HD2 PHE 68 HD2 PHE 68 -13.749 -9.644 -3.687 555 HE1 PHE 68 HE1 PHE 68 -17.973 -7.542 -2.296 556 HE2 PHE 68 HE2 PHE 68 -15.875 -10.394 -4.671 557 HZ PHE 68 HZ PHE 68 -17.991 -9.342 -3.976 558 H HIS 69 H HIS 69 -13.321 -5.570 -4.844 559 HA HIS 69 HA HIS 69 -15.011 -3.448 -3.795 560 HB2 HIS 69 2HB HIS 69 -14.088 -4.093 -6.601 561 HB3 HIS 69 3HB HIS 69 -15.117 -2.723 -6.191 562 HD1 HIS 69 HD1 HIS 69 -13.579 -0.800 -6.610 563 HD2 HIS 69 HD2 HIS 69 -11.823 -3.747 -4.265 564 HE1 HIS 69 HE1 HIS 69 -11.385 0.165 -5.848 565 H MET 70 H MET 70 -17.192 -3.203 -4.238 566 HA MET 70 HA MET 70 -18.533 -5.494 -5.508 567 HB2 MET 70 2HB MET 70 -18.862 -5.834 -3.177 568 HB3 MET 70 3HB MET 70 -19.226 -4.135 -2.908 569 HG2 MET 70 2HG MET 70 -21.371 -4.340 -3.582 570 HG3 MET 70 3HG MET 70 -20.994 -5.582 -4.774 571 HE1 MET 70 3HE MET 70 -22.448 -4.539 -1.811 572 HE2 MET 70 1HE MET 70 -23.158 -5.990 -1.102 573 HE3 MET 70 2HE MET 70 -21.596 -5.403 -0.530 574 H VAL 71 H VAL 71 -20.043 -4.986 -6.978 575 HA VAL 71 HA VAL 71 -20.981 -2.194 -7.090 576 HB VAL 71 HB VAL 71 -19.419 -2.447 -8.886 577 HG11 VAL 71 1HG1 VAL 71 -20.545 -4.412 -10.559 578 HG12 VAL 71 2HG1 VAL 71 -18.986 -4.453 -9.733 579 HG13 VAL 71 3HG1 VAL 71 -20.418 -5.127 -8.953 580 HG21 VAL 71 3HG2 VAL 71 -21.487 -1.226 -9.390 581 HG22 VAL 71 1HG2 VAL 71 -20.835 -2.025 -10.820 582 HG23 VAL 71 2HG2 VAL 71 -22.220 -2.719 -9.977 583 H VAL 72 H VAL 72 -23.066 -2.212 -6.562 584 HA VAL 72 HA VAL 72 -24.739 -4.500 -7.246 585 HB VAL 72 HB VAL 72 -25.794 -2.083 -5.839 586 HG11 VAL 72 1HG1 VAL 72 -26.951 -4.401 -6.539 587 HG12 VAL 72 2HG1 VAL 72 -26.343 -4.843 -4.942 588 HG13 VAL 72 3HG1 VAL 72 -27.433 -3.467 -5.123 589 HG21 VAL 72 3HG2 VAL 72 -25.005 -3.037 -3.688 590 HG22 VAL 72 1HG2 VAL 72 -24.017 -4.180 -4.598 591 HG23 VAL 72 2HG2 VAL 72 -23.696 -2.450 -4.713 592 H ALA 73 H ALA 73 -25.418 -4.457 -9.307 593 HA ALA 73 HA ALA 73 -26.534 -1.934 -10.344 594 HB1 ALA 73 1HB ALA 73 -24.536 -3.055 -11.512 595 HB2 ALA 73 2HB ALA 73 -25.717 -4.234 -12.083 596 HB3 ALA 73 3HB ALA 73 -25.898 -2.531 -12.502 597 H LEU 74 H LEU 74 -28.623 -2.167 -9.574 598 HA LEU 74 HA LEU 74 -30.129 -4.473 -10.621 599 HB2 LEU 74 2HB LEU 74 -31.779 -3.914 -8.805 600 HB3 LEU 74 3HB LEU 74 -30.228 -4.559 -8.271 601 HG LEU 74 HG LEU 74 -30.282 -1.646 -8.328 602 HD11 LEU 74 1HD1 LEU 74 -31.672 -1.886 -6.047 603 HD12 LEU 74 2HD1 LEU 74 -32.477 -3.117 -7.018 604 HD13 LEU 74 3HD1 LEU 74 -32.405 -1.451 -7.591 605 HD21 LEU 74 3HD2 LEU 74 -29.045 -1.865 -6.401 606 HD22 LEU 74 1HD2 LEU 74 -28.683 -3.387 -7.214 607 HD23 LEU 74 2HD2 LEU 74 -29.869 -3.346 -5.910 608 H ARG 75 H ARG 75 -30.014 -0.992 -10.277 609 HA ARG 75 HA ARG 75 -32.563 -0.635 -11.622 610 HB2 ARG 75 2HB ARG 75 -30.537 1.441 -10.770 611 HB3 ARG 75 3HB ARG 75 -32.191 1.746 -11.285 612 HG2 ARG 75 2HG ARG 75 -32.989 1.373 -9.247 613 HG3 ARG 75 3HG ARG 75 -32.080 -0.131 -9.086 614 HD2 ARG 75 2HD ARG 75 -30.197 0.964 -8.232 615 HD3 ARG 75 3HD ARG 75 -30.744 2.539 -8.807 616 HE ARG 75 HE ARG 75 -32.630 1.648 -6.982 617 HH11 ARG 75 1HH1 ARG 75 -29.254 2.495 -7.001 618 HH12 ARG 75 2HH1 ARG 75 -29.243 3.024 -5.352 619 HH21 ARG 75 1HH2 ARG 75 -32.629 2.342 -4.809 620 HH22 ARG 75 2HH2 ARG 75 -31.163 2.936 -4.105 621 H ALA 76 H ALA 76 -32.351 1.371 -13.297 622 HA ALA 76 HA ALA 76 -30.343 0.527 -15.285 623 HB1 ALA 76 1HB ALA 76 -31.929 0.262 -16.821 624 HB2 ALA 76 2HB ALA 76 -33.107 0.401 -15.515 625 HB3 ALA 76 3HB ALA 76 -32.649 1.828 -16.446 626 H GLY 77 H GLY 77 -30.244 2.356 -17.090 627 HA2 GLY 77 2HA GLY 77 -30.548 5.050 -16.218 628 HA3 GLY 77 3HA GLY 77 -28.886 4.515 -16.019 629 H CYS 78 H CYS 78 -31.467 4.426 -18.479 630 HA CYS 78 HA CYS 78 -31.414 4.695 -20.738 631 HB2 CYS 78 2HB CYS 78 -29.787 6.793 -19.583 632 HB3 CYS 78 3HB CYS 78 -29.213 6.370 -21.191 633 HG CYS 78 HG CYS 78 -32.113 7.831 -20.268 Start of MODEL 17 1 H MET 1 H MET 1 0.948 0.337 1.684 2 HA MET 1 HA MET 1 0.435 1.252 -0.640 3 HB2 MET 1 2HB MET 1 2.747 1.123 0.135 4 HB3 MET 1 3HB MET 1 2.815 -0.581 -0.295 5 HG2 MET 1 2HG MET 1 2.060 0.557 -2.651 6 HG3 MET 1 3HG MET 1 3.106 1.798 -1.964 7 HE1 MET 1 3HE MET 1 5.536 -0.538 -0.453 8 HE2 MET 1 1HE MET 1 6.452 0.415 -1.621 9 HE3 MET 1 2HE MET 1 5.148 1.166 -0.700 10 H LEU 2 H LEU 2 1.725 -2.049 -0.921 11 HA LEU 2 HA LEU 2 0.384 -2.486 -3.397 12 HB2 LEU 2 2HB LEU 2 2.421 -3.607 -3.140 13 HB3 LEU 2 3HB LEU 2 1.985 -4.216 -1.545 14 HG LEU 2 HG LEU 2 0.380 -5.156 -3.861 15 HD11 LEU 2 1HD1 LEU 2 2.006 -6.227 -4.930 16 HD12 LEU 2 2HD1 LEU 2 2.680 -6.849 -3.424 17 HD13 LEU 2 3HD1 LEU 2 3.152 -5.254 -4.009 18 HD21 LEU 2 3HD2 LEU 2 1.117 -6.028 -1.142 19 HD22 LEU 2 1HD2 LEU 2 0.965 -7.303 -2.351 20 HD23 LEU 2 2HD2 LEU 2 -0.394 -6.225 -2.031 21 H LEU 3 H LEU 3 -1.674 -3.009 -3.667 22 HA LEU 3 HA LEU 3 -2.968 -4.791 -1.738 23 HB2 LEU 3 2HB LEU 3 -4.812 -3.434 -1.383 24 HB3 LEU 3 3HB LEU 3 -3.456 -2.311 -1.309 25 HG LEU 3 HG LEU 3 -5.256 -2.691 -3.700 26 HD11 LEU 3 1HD1 LEU 3 -5.850 -1.413 -1.314 27 HD12 LEU 3 2HD1 LEU 3 -6.657 -1.181 -2.864 28 HD13 LEU 3 3HD1 LEU 3 -5.337 -0.113 -2.390 29 HD21 LEU 3 3HD2 LEU 3 -4.170 -0.534 -4.396 30 HD22 LEU 3 1HD2 LEU 3 -3.119 -1.950 -4.425 31 HD23 LEU 3 2HD2 LEU 3 -2.999 -0.790 -3.102 32 H LYS 4 H LYS 4 -4.674 -6.025 -2.579 33 HA LYS 4 HA LYS 4 -4.776 -6.075 -5.521 34 HB2 LYS 4 2HB LYS 4 -3.881 -8.129 -4.720 35 HB3 LYS 4 3HB LYS 4 -5.108 -8.257 -3.466 36 HG2 LYS 4 2HG LYS 4 -6.815 -8.670 -5.125 37 HG3 LYS 4 3HG LYS 4 -5.644 -8.435 -6.425 38 HD2 LYS 4 2HD LYS 4 -5.313 -10.642 -6.341 39 HD3 LYS 4 3HD LYS 4 -4.461 -10.351 -4.823 40 HE2 LYS 4 2HE LYS 4 -6.260 -11.000 -3.536 41 HE3 LYS 4 3HE LYS 4 -7.431 -10.635 -4.802 42 HZ1 LYS 4 3HZ LYS 4 -7.429 -12.861 -5.020 43 HZ2 LYS 4 1HZ LYS 4 -5.890 -13.053 -4.344 44 HZ3 LYS 4 2HZ LYS 4 -6.050 -12.586 -5.961 45 H VAL 5 H VAL 5 -6.548 -5.116 -6.267 46 HA VAL 5 HA VAL 5 -9.039 -5.302 -4.723 47 HB VAL 5 HB VAL 5 -9.860 -3.484 -6.192 48 HG11 VAL 5 1HG1 VAL 5 -9.092 -2.595 -4.228 49 HG12 VAL 5 2HG1 VAL 5 -7.447 -3.187 -4.474 50 HG13 VAL 5 3HG1 VAL 5 -8.024 -1.782 -5.372 51 HG21 VAL 5 3HG2 VAL 5 -7.531 -4.185 -7.702 52 HG22 VAL 5 1HG2 VAL 5 -8.847 -3.091 -8.129 53 HG23 VAL 5 2HG2 VAL 5 -7.447 -2.484 -7.243 54 H LYS 6 H LYS 6 -10.623 -6.595 -5.372 55 HA LYS 6 HA LYS 6 -10.696 -7.433 -8.195 56 HB2 LYS 6 2HB LYS 6 -11.564 -9.646 -7.360 57 HB3 LYS 6 3HB LYS 6 -9.873 -9.323 -6.998 58 HG2 LYS 6 2HG LYS 6 -10.244 -9.620 -4.839 59 HG3 LYS 6 3HG LYS 6 -11.484 -8.363 -4.847 60 HD2 LYS 6 2HD LYS 6 -12.545 -10.334 -4.078 61 HD3 LYS 6 3HD LYS 6 -13.071 -10.114 -5.748 62 HE2 LYS 6 2HE LYS 6 -11.007 -11.648 -6.267 63 HE3 LYS 6 3HE LYS 6 -11.212 -12.139 -4.587 64 HZ1 LYS 6 3HZ LYS 6 -12.527 -13.638 -5.702 65 HZ2 LYS 6 1HZ LYS 6 -13.036 -12.518 -6.863 66 HZ3 LYS 6 2HZ LYS 6 -13.664 -12.453 -5.295 67 H THR 7 H THR 7 -12.557 -7.007 -9.176 68 HA THR 7 HA THR 7 -14.813 -6.061 -7.618 69 HB THR 7 HB THR 7 -15.383 -6.264 -10.436 70 HG1 THR 7 HG1 THR 7 -13.665 -4.693 -11.002 71 HG21 THR 7 3HG2 THR 7 -14.781 -3.691 -9.055 72 HG22 THR 7 1HG2 THR 7 -16.154 -4.647 -8.502 73 HG23 THR 7 2HG2 THR 7 -16.084 -4.090 -10.174 74 H VAL 8 H VAL 8 -17.047 -6.772 -8.348 75 HA VAL 8 HA VAL 8 -17.330 -9.545 -7.877 76 HB VAL 8 HB VAL 8 -19.035 -7.819 -7.280 77 HG11 VAL 8 1HG1 VAL 8 -19.796 -7.945 -10.193 78 HG12 VAL 8 2HG1 VAL 8 -20.549 -6.971 -8.929 79 HG13 VAL 8 3HG1 VAL 8 -18.905 -6.611 -9.460 80 HG21 VAL 8 3HG2 VAL 8 -20.455 -9.781 -8.998 81 HG22 VAL 8 1HG2 VAL 8 -19.389 -10.406 -7.740 82 HG23 VAL 8 2HG2 VAL 8 -20.731 -9.345 -7.312 83 H SER 9 H SER 9 -16.596 -7.845 -10.688 84 HA SER 9 HA SER 9 -17.852 -9.733 -12.505 85 HB2 SER 9 2HB SER 9 -16.451 -7.129 -12.766 86 HB3 SER 9 3HB SER 9 -16.311 -8.237 -14.131 87 HG SER 9 HG SER 9 -18.252 -7.669 -14.655 88 H ASN 10 H ASN 10 -15.462 -10.199 -10.546 89 HA ASN 10 HA ASN 10 -13.701 -11.641 -10.482 90 HB2 ASN 10 2HB ASN 10 -15.318 -12.659 -12.473 91 HB3 ASN 10 3HB ASN 10 -13.761 -12.499 -13.280 92 HD21 ASN 10 1HD2 ASN 10 -14.947 -14.949 -12.831 93 HD22 ASN 10 2HD2 ASN 10 -14.003 -15.834 -11.686 94 H LYS 11 H LYS 11 -13.306 -8.913 -11.147 95 HA LYS 11 HA LYS 11 -11.021 -9.052 -12.998 96 HB2 LYS 11 2HB LYS 11 -12.811 -6.761 -12.201 97 HB3 LYS 11 3HB LYS 11 -11.280 -6.514 -13.030 98 HG2 LYS 11 2HG LYS 11 -12.133 -8.019 -14.847 99 HG3 LYS 11 3HG LYS 11 -13.706 -7.969 -14.048 100 HD2 LYS 11 2HD LYS 11 -14.104 -5.824 -14.670 101 HD3 LYS 11 3HD LYS 11 -12.403 -5.364 -14.564 102 HE2 LYS 11 2HE LYS 11 -13.539 -7.103 -16.747 103 HE3 LYS 11 3HE LYS 11 -13.367 -5.354 -16.880 104 HZ1 LYS 11 3HZ LYS 11 -10.964 -6.689 -16.034 105 HZ2 LYS 11 1HZ LYS 11 -11.188 -5.528 -17.245 106 HZ3 LYS 11 2HZ LYS 11 -11.484 -7.161 -17.573 107 H VAL 12 H VAL 12 -9.502 -9.780 -11.497 108 HA VAL 12 HA VAL 12 -9.030 -8.171 -9.109 109 HB VAL 12 HB VAL 12 -7.502 -10.613 -10.008 110 HG11 VAL 12 1HG1 VAL 12 -6.267 -9.466 -8.366 111 HG12 VAL 12 2HG1 VAL 12 -7.710 -9.103 -7.417 112 HG13 VAL 12 3HG1 VAL 12 -7.102 -10.757 -7.502 113 HG21 VAL 12 3HG2 VAL 12 -10.197 -10.387 -8.976 114 HG22 VAL 12 1HG2 VAL 12 -9.348 -11.796 -9.611 115 HG23 VAL 12 2HG2 VAL 12 -9.171 -11.350 -7.914 116 H ILE 13 H ILE 13 -7.381 -6.778 -8.866 117 HA ILE 13 HA ILE 13 -5.251 -6.744 -10.887 118 HB ILE 13 HB ILE 13 -6.659 -4.258 -9.911 119 HG12 ILE 13 2HG1 ILE 13 -8.105 -5.575 -11.402 120 HG13 ILE 13 3HG1 ILE 13 -7.575 -4.087 -12.179 121 HG21 ILE 13 1HG2 ILE 13 -4.254 -4.025 -10.472 122 HG22 ILE 13 2HG2 ILE 13 -4.617 -4.594 -12.101 123 HG23 ILE 13 3HG2 ILE 13 -5.314 -3.082 -11.520 124 HD11 ILE 13 3HD1 ILE 13 -7.379 -6.703 -13.151 125 HD12 ILE 13 1HD1 ILE 13 -6.725 -5.230 -13.866 126 HD13 ILE 13 2HD1 ILE 13 -5.734 -6.194 -12.770 127 H GLN 14 H GLN 14 -3.377 -6.963 -9.876 128 HA GLN 14 HA GLN 14 -3.117 -5.982 -7.122 129 HB2 GLN 14 2HB GLN 14 -2.610 -8.426 -7.846 130 HB3 GLN 14 3HB GLN 14 -1.117 -7.755 -8.488 131 HG2 GLN 14 2HG GLN 14 -1.124 -6.703 -5.993 132 HG3 GLN 14 3HG GLN 14 -1.932 -8.245 -5.717 133 HE21 GLN 14 1HE2 GLN 14 0.848 -6.971 -7.522 134 HE22 GLN 14 2HE2 GLN 14 1.928 -8.251 -7.095 135 H ILE 15 H ILE 15 -2.171 -4.078 -6.877 136 HA ILE 15 HA ILE 15 -0.116 -3.263 -8.826 137 HB ILE 15 HB ILE 15 -0.634 -0.918 -8.072 138 HG12 ILE 15 2HG1 ILE 15 -1.894 -1.948 -5.989 139 HG13 ILE 15 3HG1 ILE 15 -2.413 -0.422 -6.695 140 HG21 ILE 15 1HG2 ILE 15 -2.651 -2.614 -9.505 141 HG22 ILE 15 2HG2 ILE 15 -2.861 -0.872 -9.335 142 HG23 ILE 15 3HG2 ILE 15 -1.452 -1.511 -10.180 143 HD11 ILE 15 3HD1 ILE 15 -3.628 -2.941 -7.696 144 HD12 ILE 15 1HD1 ILE 15 -4.130 -2.313 -6.127 145 HD13 ILE 15 2HD1 ILE 15 -4.317 -1.322 -7.574 146 H THR 16 H THR 16 1.722 -2.124 -8.051 147 HA THR 16 HA THR 16 2.251 -2.466 -5.173 148 HB THR 16 HB THR 16 4.500 -3.149 -5.594 149 HG1 THR 16 HG1 THR 16 3.911 -2.335 -8.224 150 HG21 THR 16 3HG2 THR 16 2.282 -4.647 -6.453 151 HG22 THR 16 1HG2 THR 16 3.862 -5.253 -5.959 152 HG23 THR 16 2HG2 THR 16 3.543 -4.903 -7.658 153 H SER 17 H SER 17 1.281 -0.102 -5.943 154 HA SER 17 HA SER 17 3.319 1.720 -5.229 155 HB2 SER 17 2HB SER 17 4.198 1.713 -7.389 156 HB3 SER 17 3HB SER 17 2.616 1.503 -8.140 157 HG SER 17 HG SER 17 2.299 3.596 -8.082 158 H LEU 18 H LEU 18 1.637 2.130 -3.710 159 HA LEU 18 HA LEU 18 -0.683 3.581 -4.788 160 HB2 LEU 18 2HB LEU 18 -0.284 1.767 -2.541 161 HB3 LEU 18 3HB LEU 18 -1.145 3.239 -2.097 162 HG LEU 18 HG LEU 18 -2.571 1.250 -2.715 163 HD11 LEU 18 1HD1 LEU 18 -4.219 2.584 -3.780 164 HD12 LEU 18 2HD1 LEU 18 -3.002 3.668 -4.454 165 HD13 LEU 18 3HD1 LEU 18 -3.304 3.653 -2.717 166 HD21 LEU 18 3HD2 LEU 18 -1.245 0.442 -4.592 167 HD22 LEU 18 1HD2 LEU 18 -1.572 1.931 -5.479 168 HD23 LEU 18 2HD2 LEU 18 -2.890 0.821 -5.105 169 H THR 19 H THR 19 -1.334 5.554 -3.803 170 HA THR 19 HA THR 19 0.902 7.194 -3.001 171 HB THR 19 HB THR 19 -1.802 8.363 -2.852 172 HG1 THR 19 HG1 THR 19 -0.750 7.271 -5.262 173 HG21 THR 19 3HG2 THR 19 -0.510 10.163 -3.087 174 HG22 THR 19 1HG2 THR 19 -0.160 9.653 -4.738 175 HG23 THR 19 2HG2 THR 19 0.899 9.156 -3.418 176 H ASP 20 H ASP 20 0.266 8.921 -1.218 177 HA ASP 20 HA ASP 20 -0.731 7.430 1.121 178 HB2 ASP 20 2HB ASP 20 0.886 9.186 2.314 179 HB3 ASP 20 3HB ASP 20 1.465 7.628 1.731 180 H ASP 21 H ASP 21 -1.639 9.698 -0.922 181 HA ASP 21 HA ASP 21 -2.557 11.653 1.052 182 HB2 ASP 21 2HB ASP 21 -1.844 11.771 -1.726 183 HB3 ASP 21 3HB ASP 21 -3.503 12.328 -1.528 184 H ASN 22 H ASN 22 -3.889 9.622 -1.553 185 HA ASN 22 HA ASN 22 -6.492 9.731 -0.174 186 HB2 ASN 22 2HB ASN 22 -5.792 9.673 -3.094 187 HB3 ASN 22 3HB ASN 22 -7.350 9.063 -2.545 188 HD21 ASN 22 1HD2 ASN 22 -5.805 11.698 -3.707 189 HD22 ASN 22 2HD2 ASN 22 -6.854 12.939 -3.122 190 H THR 23 H THR 23 -4.299 7.690 -2.063 191 HA THR 23 HA THR 23 -3.970 5.438 -2.115 192 HB THR 23 HB THR 23 -5.352 5.579 0.569 193 HG1 THR 23 HG1 THR 23 -3.032 5.149 1.161 194 HG21 THR 23 3HG2 THR 23 -5.614 3.343 0.092 195 HG22 THR 23 1HG2 THR 23 -3.999 3.333 0.798 196 HG23 THR 23 2HG2 THR 23 -4.196 3.288 -0.954 197 H ILE 24 H ILE 24 -6.998 5.251 -0.304 198 HA ILE 24 HA ILE 24 -8.109 3.374 -2.135 199 HB ILE 24 HB ILE 24 -9.532 4.912 0.039 200 HG12 ILE 24 2HG1 ILE 24 -9.137 2.427 1.052 201 HG13 ILE 24 3HG1 ILE 24 -7.670 2.616 0.097 202 HG21 ILE 24 1HG2 ILE 24 -10.568 2.307 -0.351 203 HG22 ILE 24 2HG2 ILE 24 -11.362 3.855 -0.632 204 HG23 ILE 24 3HG2 ILE 24 -10.455 3.081 -1.931 205 HD11 ILE 24 3HD1 ILE 24 -8.293 4.948 1.723 206 HD12 ILE 24 1HD1 ILE 24 -8.032 3.479 2.663 207 HD13 ILE 24 2HD1 ILE 24 -6.786 4.049 1.551 208 H ALA 25 H ALA 25 -8.898 6.756 -1.353 209 HA ALA 25 HA ALA 25 -10.999 7.080 -3.160 210 HB1 ALA 25 1HB ALA 25 -9.773 8.667 -1.308 211 HB2 ALA 25 2HB ALA 25 -9.323 9.453 -2.823 212 HB3 ALA 25 3HB ALA 25 -11.024 9.197 -2.433 213 H GLU 26 H GLU 26 -7.514 7.436 -3.605 214 HA GLU 26 HA GLU 26 -7.657 8.496 -6.235 215 HB2 GLU 26 2HB GLU 26 -5.662 8.791 -4.882 216 HB3 GLU 26 3HB GLU 26 -5.420 7.051 -4.806 217 HG2 GLU 26 2HG GLU 26 -4.185 7.146 -6.631 218 HG3 GLU 26 3HG GLU 26 -5.568 7.761 -7.536 219 H LEU 27 H LEU 27 -7.360 5.230 -4.934 220 HA LEU 27 HA LEU 27 -6.918 3.929 -7.406 221 HB2 LEU 27 2HB LEU 27 -7.198 3.205 -4.678 222 HB3 LEU 27 3HB LEU 27 -8.312 2.212 -5.616 223 HG LEU 27 HG LEU 27 -6.077 1.179 -5.201 224 HD11 LEU 27 1HD1 LEU 27 -6.215 1.499 -8.131 225 HD12 LEU 27 2HD1 LEU 27 -7.690 0.958 -7.330 226 HD13 LEU 27 3HD1 LEU 27 -6.198 0.037 -7.144 227 HD21 LEU 27 3HD2 LEU 27 -4.124 1.999 -6.144 228 HD22 LEU 27 1HD2 LEU 27 -4.918 3.463 -5.564 229 HD23 LEU 27 2HD2 LEU 27 -4.987 3.042 -7.275 230 H LYS 28 H LYS 28 -9.866 4.399 -5.471 231 HA LYS 28 HA LYS 28 -11.610 3.116 -7.282 232 HB2 LYS 28 2HB LYS 28 -13.408 4.165 -6.021 233 HB3 LYS 28 3HB LYS 28 -12.181 3.545 -4.924 234 HG2 LYS 28 2HG LYS 28 -11.249 5.839 -4.757 235 HG3 LYS 28 3HG LYS 28 -12.602 6.413 -5.735 236 HD2 LYS 28 2HD LYS 28 -12.866 4.966 -3.100 237 HD3 LYS 28 3HD LYS 28 -12.960 6.717 -3.304 238 HE2 LYS 28 2HE LYS 28 -14.782 4.711 -4.629 239 HE3 LYS 28 3HE LYS 28 -15.180 5.639 -3.184 240 HZ1 LYS 28 3HZ LYS 28 -16.127 6.833 -4.922 241 HZ2 LYS 28 1HZ LYS 28 -14.799 6.611 -5.947 242 HZ3 LYS 28 2HZ LYS 28 -14.682 7.662 -4.627 243 H GLY 29 H GLY 29 -10.609 6.489 -6.915 244 HA2 GLY 29 2HA GLY 29 -12.394 7.547 -8.851 245 HA3 GLY 29 3HA GLY 29 -10.940 8.330 -8.252 246 H LYS 30 H LYS 30 -9.164 6.183 -9.063 247 HA LYS 30 HA LYS 30 -8.709 7.034 -11.756 248 HB2 LYS 30 2HB LYS 30 -7.343 5.133 -9.880 249 HB3 LYS 30 3HB LYS 30 -6.892 5.173 -11.580 250 HG2 LYS 30 2HG LYS 30 -6.990 7.833 -10.471 251 HG3 LYS 30 3HG LYS 30 -5.914 6.788 -9.541 252 HD2 LYS 30 2HD LYS 30 -4.550 6.352 -11.387 253 HD3 LYS 30 3HD LYS 30 -5.783 6.875 -12.537 254 HE2 LYS 30 2HE LYS 30 -5.530 9.190 -11.557 255 HE3 LYS 30 3HE LYS 30 -4.113 8.581 -10.702 256 HZ1 LYS 30 3HZ LYS 30 -4.447 8.491 -13.650 257 HZ2 LYS 30 1HZ LYS 30 -3.056 8.091 -12.773 258 HZ3 LYS 30 2HZ LYS 30 -3.590 9.695 -12.827 259 H LEU 31 H LEU 31 -10.016 4.161 -10.223 260 HA LEU 31 HA LEU 31 -10.022 2.523 -12.542 261 HB2 LEU 31 2HB LEU 31 -10.295 1.914 -10.026 262 HB3 LEU 31 3HB LEU 31 -12.005 2.215 -10.326 263 HG LEU 31 HG LEU 31 -10.348 0.204 -11.845 264 HD11 LEU 31 1HD1 LEU 31 -12.349 -0.945 -10.152 265 HD12 LEU 31 2HD1 LEU 31 -11.256 0.052 -9.191 266 HD13 LEU 31 3HD1 LEU 31 -10.612 -1.249 -10.193 267 HD21 LEU 31 3HD2 LEU 31 -12.810 -0.632 -12.203 268 HD22 LEU 31 1HD2 LEU 31 -12.130 0.638 -13.221 269 HD23 LEU 31 2HD2 LEU 31 -13.203 1.059 -11.886 270 H GLU 32 H GLU 32 -12.453 4.613 -11.034 271 HA GLU 32 HA GLU 32 -14.534 3.986 -12.855 272 HB2 GLU 32 2HB GLU 32 -15.646 5.991 -11.951 273 HB3 GLU 32 3HB GLU 32 -15.021 4.951 -10.678 274 HG2 GLU 32 2HG GLU 32 -13.060 6.433 -10.476 275 HG3 GLU 32 3HG GLU 32 -13.776 7.500 -11.683 276 H GLU 33 H GLU 33 -12.082 6.528 -12.753 277 HA GLU 33 HA GLU 33 -13.062 7.977 -14.986 278 HB2 GLU 33 2HB GLU 33 -11.326 8.627 -13.113 279 HB3 GLU 33 3HB GLU 33 -10.161 7.985 -14.262 280 HG2 GLU 33 2HG GLU 33 -10.221 10.268 -14.704 281 HG3 GLU 33 3HG GLU 33 -11.223 9.550 -15.965 282 H SER 34 H SER 34 -10.838 5.290 -14.618 283 HA SER 34 HA SER 34 -9.720 5.338 -17.201 284 HB2 SER 34 2HB SER 34 -8.760 4.029 -15.347 285 HB3 SER 34 3HB SER 34 -10.163 2.962 -15.376 286 HG SER 34 HG SER 34 -8.399 3.371 -17.562 287 H GLU 35 H GLU 35 -12.537 3.627 -15.887 288 HA GLU 35 HA GLU 35 -13.194 2.513 -18.477 289 HB2 GLU 35 2HB GLU 35 -14.375 2.318 -15.727 290 HB3 GLU 35 3HB GLU 35 -15.309 1.799 -17.123 291 HG2 GLU 35 2HG GLU 35 -12.540 0.769 -16.803 292 HG3 GLU 35 3HG GLU 35 -13.814 0.119 -15.773 293 H GLY 36 H GLY 36 -13.609 5.469 -17.037 294 HA2 GLY 36 2HA GLY 36 -14.699 7.296 -18.037 295 HA3 GLY 36 3HA GLY 36 -15.695 6.173 -18.951 296 H ILE 37 H ILE 37 -16.681 4.593 -16.877 297 HA ILE 37 HA ILE 37 -18.050 6.468 -15.089 298 HB ILE 37 HB ILE 37 -20.198 5.168 -15.539 299 HG12 ILE 37 2HG1 ILE 37 -18.979 4.590 -18.222 300 HG13 ILE 37 3HG1 ILE 37 -18.827 3.429 -16.908 301 HG21 ILE 37 1HG2 ILE 37 -18.927 7.233 -17.222 302 HG22 ILE 37 2HG2 ILE 37 -20.384 6.482 -17.868 303 HG23 ILE 37 3HG2 ILE 37 -20.429 7.285 -16.299 304 HD11 ILE 37 3HD1 ILE 37 -20.687 2.731 -18.128 305 HD12 ILE 37 1HD1 ILE 37 -21.359 3.559 -16.724 306 HD13 ILE 37 2HD1 ILE 37 -21.310 4.373 -18.288 307 HA PRO 38 HA PRO 38 -17.513 3.369 -12.026 308 HB2 PRO 38 2HB PRO 38 -19.706 3.763 -10.476 309 HB3 PRO 38 3HB PRO 38 -18.342 4.886 -10.512 310 HG2 PRO 38 2HG PRO 38 -20.974 5.057 -11.928 311 HG3 PRO 38 3HG PRO 38 -20.071 6.330 -11.087 312 HD2 PRO 38 2HD PRO 38 -20.050 6.067 -13.782 313 HD3 PRO 38 3HD PRO 38 -18.654 6.679 -12.871 314 H GLY 39 H GLY 39 -18.029 1.263 -11.599 315 HA2 GLY 39 2HA GLY 39 -19.480 -0.255 -13.368 316 HA3 GLY 39 3HA GLY 39 -19.130 -0.754 -11.720 317 H ASN 40 H ASN 40 -20.623 1.014 -10.249 318 HA ASN 40 HA ASN 40 -23.235 1.485 -11.076 319 HB2 ASN 40 2HB ASN 40 -22.689 -1.303 -10.396 320 HB3 ASN 40 3HB ASN 40 -23.993 -0.612 -9.434 321 HD21 ASN 40 1HD2 ASN 40 -23.634 -2.500 -11.889 322 HD22 ASN 40 2HD2 ASN 40 -24.903 -1.983 -12.942 323 H MET 41 H MET 41 -21.978 -0.158 -8.170 324 HA MET 41 HA MET 41 -22.996 2.076 -6.563 325 HB2 MET 41 2HB MET 41 -23.892 0.144 -5.655 326 HB3 MET 41 3HB MET 41 -22.457 -0.812 -6.005 327 HG2 MET 41 2HG MET 41 -22.694 -0.487 -3.626 328 HG3 MET 41 3HG MET 41 -21.256 0.342 -4.217 329 HE1 MET 41 3HE MET 41 -23.973 0.172 -2.207 330 HE2 MET 41 1HE MET 41 -23.530 1.562 -1.215 331 HE3 MET 41 2HE MET 41 -24.947 1.642 -2.262 332 H ILE 42 H ILE 42 -20.107 0.091 -7.071 333 HA ILE 42 HA ILE 42 -17.898 0.510 -6.715 334 HB ILE 42 HB ILE 42 -18.647 3.376 -6.161 335 HG12 ILE 42 2HG1 ILE 42 -19.676 2.726 -8.269 336 HG13 ILE 42 3HG1 ILE 42 -18.294 3.770 -8.580 337 HG21 ILE 42 1HG2 ILE 42 -16.143 1.899 -6.703 338 HG22 ILE 42 2HG2 ILE 42 -16.311 3.486 -7.452 339 HG23 ILE 42 3HG2 ILE 42 -16.429 3.321 -5.700 340 HD11 ILE 42 3HD1 ILE 42 -17.538 2.245 -9.985 341 HD12 ILE 42 1HD1 ILE 42 -17.304 1.154 -8.619 342 HD13 ILE 42 2HD1 ILE 42 -18.818 1.123 -9.523 343 H ARG 43 H ARG 43 -18.887 -0.714 -4.670 344 HA ARG 43 HA ARG 43 -17.846 0.727 -2.326 345 HB2 ARG 43 2HB ARG 43 -20.461 -0.638 -2.681 346 HB3 ARG 43 3HB ARG 43 -19.649 -0.860 -1.137 347 HG2 ARG 43 2HG ARG 43 -20.299 1.809 -2.369 348 HG3 ARG 43 3HG ARG 43 -21.259 1.001 -1.128 349 HD2 ARG 43 2HD ARG 43 -19.900 1.700 0.492 350 HD3 ARG 43 3HD ARG 43 -18.471 1.145 -0.380 351 HE ARG 43 HE ARG 43 -19.235 3.464 -1.635 352 HH11 ARG 43 1HH1 ARG 43 -18.327 2.543 1.597 353 HH12 ARG 43 2HH1 ARG 43 -17.655 4.091 1.989 354 HH21 ARG 43 1HH2 ARG 43 -18.354 5.506 -1.131 355 HH22 ARG 43 2HH2 ARG 43 -17.672 5.776 0.437 356 H LEU 44 H LEU 44 -16.040 -0.279 -1.745 357 HA LEU 44 HA LEU 44 -15.885 -3.200 -2.025 358 HB2 LEU 44 2HB LEU 44 -13.462 -2.918 -1.887 359 HB3 LEU 44 3HB LEU 44 -14.161 -1.989 -3.212 360 HG LEU 44 HG LEU 44 -13.684 -0.598 -0.625 361 HD11 LEU 44 1HD1 LEU 44 -11.347 -0.100 -1.800 362 HD12 LEU 44 2HD1 LEU 44 -11.580 -1.758 -2.354 363 HD13 LEU 44 3HD1 LEU 44 -11.564 -1.400 -0.628 364 HD21 LEU 44 3HD2 LEU 44 -12.856 0.637 -3.126 365 HD22 LEU 44 1HD2 LEU 44 -13.950 1.230 -1.876 366 HD23 LEU 44 2HD2 LEU 44 -14.550 0.145 -3.131 367 H VAL 45 H VAL 45 -14.867 -4.429 -0.323 368 HA VAL 45 HA VAL 45 -15.243 -3.198 2.330 369 HB VAL 45 HB VAL 45 -16.869 -4.982 1.868 370 HG11 VAL 45 1HG1 VAL 45 -16.353 -7.036 1.090 371 HG12 VAL 45 2HG1 VAL 45 -14.912 -6.216 0.486 372 HG13 VAL 45 3HG1 VAL 45 -14.844 -7.120 2.000 373 HG21 VAL 45 3HG2 VAL 45 -16.253 -6.449 3.860 374 HG22 VAL 45 1HG2 VAL 45 -14.787 -5.476 3.977 375 HG23 VAL 45 2HG2 VAL 45 -16.367 -4.713 4.149 376 H TYR 46 H TYR 46 -13.535 -3.107 3.640 377 HA TYR 46 HA TYR 46 -11.134 -4.635 2.888 378 HB2 TYR 46 2HB TYR 46 -11.357 -1.940 3.143 379 HB3 TYR 46 3HB TYR 46 -10.844 -2.376 4.769 380 HD1 TYR 46 HD2 TYR 46 -8.932 -4.447 4.495 381 HD2 TYR 46 HD1 TYR 46 -9.588 -1.130 1.912 382 HE1 TYR 46 HE2 TYR 46 -6.601 -4.593 3.724 383 HE2 TYR 46 HE1 TYR 46 -7.259 -1.268 1.133 384 HH TYR 46 HH TYR 46 -5.438 -3.599 1.185 385 H GLN 47 H GLN 47 -10.770 -6.339 4.131 386 HA GLN 47 HA GLN 47 -10.685 -7.740 5.923 387 HB2 GLN 47 2HB GLN 47 -9.466 -5.395 6.666 388 HB3 GLN 47 3HB GLN 47 -10.637 -5.627 7.957 389 HG2 GLN 47 2HG GLN 47 -9.157 -6.965 8.914 390 HG3 GLN 47 3HG GLN 47 -9.496 -8.126 7.631 391 HE21 GLN 47 1HE2 GLN 47 -7.077 -6.714 9.223 392 HE22 GLN 47 2HE2 GLN 47 -5.853 -6.705 8.004 393 H GLY 48 H GLY 48 -13.288 -6.930 5.018 394 HA2 GLY 48 2HA GLY 48 -15.426 -7.523 5.707 395 HA3 GLY 48 3HA GLY 48 -14.805 -7.759 7.334 396 H LYS 49 H LYS 49 -13.764 -4.799 6.284 397 HA LYS 49 HA LYS 49 -15.975 -3.458 7.684 398 HB2 LYS 49 2HB LYS 49 -13.172 -3.275 7.967 399 HB3 LYS 49 3HB LYS 49 -13.698 -1.755 7.256 400 HG2 LYS 49 2HG LYS 49 -14.440 -1.050 9.216 401 HG3 LYS 49 3HG LYS 49 -15.474 -2.471 9.378 402 HD2 LYS 49 2HD LYS 49 -12.533 -2.462 10.039 403 HD3 LYS 49 3HD LYS 49 -13.801 -2.149 11.226 404 HE2 LYS 49 2HE LYS 49 -13.973 -4.606 9.549 405 HE3 LYS 49 3HE LYS 49 -12.821 -4.567 10.882 406 HZ1 LYS 49 3HZ LYS 49 -15.056 -3.619 12.036 407 HZ2 LYS 49 1HZ LYS 49 -14.561 -5.236 12.090 408 HZ3 LYS 49 2HZ LYS 49 -15.699 -4.739 10.943 409 H GLN 50 H GLN 50 -16.560 -1.284 6.922 410 HA GLN 50 HA GLN 50 -16.314 -1.073 3.993 411 HB2 GLN 50 2HB GLN 50 -18.617 0.005 5.609 412 HB3 GLN 50 3HB GLN 50 -18.528 -0.230 3.869 413 HG2 GLN 50 2HG GLN 50 -18.398 -2.686 4.286 414 HG3 GLN 50 3HG GLN 50 -18.710 -2.353 5.989 415 HE21 GLN 50 1HE2 GLN 50 -20.731 -2.707 6.519 416 HE22 GLN 50 2HE2 GLN 50 -22.117 -2.417 5.531 417 H LEU 51 H LEU 51 -16.419 1.108 3.110 418 HA LEU 51 HA LEU 51 -15.720 3.267 2.971 419 HB2 LEU 51 2HB LEU 51 -16.160 3.520 5.928 420 HB3 LEU 51 3HB LEU 51 -16.289 4.765 4.687 421 HG LEU 51 HG LEU 51 -18.210 2.792 4.067 422 HD11 LEU 51 1HD1 LEU 51 -18.099 1.933 6.301 423 HD12 LEU 51 2HD1 LEU 51 -19.581 2.873 6.137 424 HD13 LEU 51 3HD1 LEU 51 -18.192 3.558 6.981 425 HD21 LEU 51 3HD2 LEU 51 -19.706 4.585 4.170 426 HD22 LEU 51 1HD2 LEU 51 -18.163 5.334 3.760 427 HD23 LEU 51 2HD2 LEU 51 -18.770 5.415 5.414 428 H GLU 52 H GLU 52 -13.602 3.254 2.508 429 HA GLU 52 HA GLU 52 -11.720 3.171 4.773 430 HB2 GLU 52 2HB GLU 52 -11.097 2.181 1.991 431 HB3 GLU 52 3HB GLU 52 -10.117 1.997 3.440 432 HG2 GLU 52 2HG GLU 52 -11.043 0.012 3.726 433 HG3 GLU 52 3HG GLU 52 -12.565 0.831 4.073 434 H ASP 53 H ASP 53 -13.049 5.068 2.457 435 HA ASP 53 HA ASP 53 -10.968 6.427 1.231 436 HB2 ASP 53 2HB ASP 53 -13.680 6.689 1.257 437 HB3 ASP 53 3HB ASP 53 -13.194 8.130 2.145 438 H GLU 54 H GLU 54 -12.348 6.874 4.450 439 HA GLU 54 HA GLU 54 -10.888 9.211 5.098 440 HB2 GLU 54 2HB GLU 54 -12.849 7.617 6.328 441 HB3 GLU 54 3HB GLU 54 -11.472 7.603 7.421 442 HG2 GLU 54 2HG GLU 54 -11.550 10.212 6.909 443 HG3 GLU 54 3HG GLU 54 -13.248 9.830 6.630 444 H LYS 55 H LYS 55 -10.045 5.885 4.970 445 HA LYS 55 HA LYS 55 -7.662 6.285 6.621 446 HB2 LYS 55 2HB LYS 55 -9.083 3.873 5.547 447 HB3 LYS 55 3HB LYS 55 -7.400 3.750 6.042 448 HG2 LYS 55 2HG LYS 55 -8.533 3.112 7.945 449 HG3 LYS 55 3HG LYS 55 -8.217 4.822 8.248 450 HD2 LYS 55 2HD LYS 55 -10.398 5.333 8.250 451 HD3 LYS 55 3HD LYS 55 -10.718 4.347 6.822 452 HE2 LYS 55 2HE LYS 55 -10.307 3.196 9.574 453 HE3 LYS 55 3HE LYS 55 -11.892 3.628 8.932 454 HZ1 LYS 55 3HZ LYS 55 -11.709 2.012 7.250 455 HZ2 LYS 55 1HZ LYS 55 -11.209 1.240 8.671 456 HZ3 LYS 55 2HZ LYS 55 -10.062 1.759 7.542 457 H ARG 56 H ARG 56 -7.754 7.681 4.176 458 HA ARG 56 HA ARG 56 -6.633 6.524 1.958 459 HB2 ARG 56 2HB ARG 56 -5.388 8.859 1.814 460 HB3 ARG 56 3HB ARG 56 -7.126 8.727 1.582 461 HG2 ARG 56 2HG ARG 56 -6.328 9.118 4.366 462 HG3 ARG 56 3HG ARG 56 -5.890 10.447 3.291 463 HD2 ARG 56 2HD ARG 56 -8.425 9.948 2.480 464 HD3 ARG 56 3HD ARG 56 -8.535 9.525 4.189 465 HE ARG 56 HE ARG 56 -8.210 12.152 3.069 466 HH11 ARG 56 1HH1 ARG 56 -7.717 10.155 5.878 467 HH12 ARG 56 2HH1 ARG 56 -7.708 11.488 6.985 468 HH21 ARG 56 1HH2 ARG 56 -8.200 13.915 4.517 469 HH22 ARG 56 2HH2 ARG 56 -7.984 13.626 6.210 470 H LEU 57 H LEU 57 -4.534 8.521 3.990 471 HA LEU 57 HA LEU 57 -2.181 7.195 3.225 472 HB2 LEU 57 2HB LEU 57 -2.560 9.524 4.314 473 HB3 LEU 57 3HB LEU 57 -2.419 8.640 5.833 474 HG LEU 57 HG LEU 57 -0.273 8.454 3.748 475 HD11 LEU 57 1HD1 LEU 57 -0.195 10.480 5.952 476 HD12 LEU 57 2HD1 LEU 57 -0.876 10.875 4.374 477 HD13 LEU 57 3HD1 LEU 57 0.808 10.367 4.505 478 HD21 LEU 57 3HD2 LEU 57 -0.624 7.774 6.608 479 HD22 LEU 57 1HD2 LEU 57 0.962 8.359 6.108 480 HD23 LEU 57 2HD2 LEU 57 0.267 6.931 5.340 481 H LYS 58 H LYS 58 -4.376 6.708 5.920 482 HA LYS 58 HA LYS 58 -2.799 5.051 7.518 483 HB2 LYS 58 2HB LYS 58 -5.536 5.858 7.396 484 HB3 LYS 58 3HB LYS 58 -5.484 4.114 7.621 485 HG2 LYS 58 2HG LYS 58 -3.582 5.346 9.361 486 HG3 LYS 58 3HG LYS 58 -5.153 6.127 9.555 487 HD2 LYS 58 2HD LYS 58 -5.190 4.348 11.080 488 HD3 LYS 58 3HD LYS 58 -6.109 3.757 9.693 489 HE2 LYS 58 2HE LYS 58 -4.768 1.958 9.911 490 HE3 LYS 58 3HE LYS 58 -3.633 2.953 9.001 491 HZ1 LYS 58 3HZ LYS 58 -2.669 1.929 11.015 492 HZ2 LYS 58 1HZ LYS 58 -3.737 2.833 11.965 493 HZ3 LYS 58 2HZ LYS 58 -2.574 3.618 11.021 494 H ASP 59 H ASP 59 -4.415 4.428 4.520 495 HA ASP 59 HA ASP 59 -4.288 1.553 4.769 496 HB2 ASP 59 2HB ASP 59 -5.368 3.492 2.830 497 HB3 ASP 59 3HB ASP 59 -4.752 2.002 2.121 498 H TYR 60 H TYR 60 -2.158 4.032 3.875 499 HA TYR 60 HA TYR 60 -0.606 2.572 1.963 500 HB2 TYR 60 2HB TYR 60 -0.677 5.064 2.080 501 HB3 TYR 60 3HB TYR 60 0.206 4.983 3.600 502 HD1 TYR 60 HD2 TYR 60 0.526 3.577 0.144 503 HD2 TYR 60 HD1 TYR 60 2.463 5.403 3.464 504 HE1 TYR 60 HE2 TYR 60 2.650 3.568 -1.097 505 HE2 TYR 60 HE1 TYR 60 4.591 5.400 2.232 506 HH TYR 60 HH TYR 60 4.862 5.052 -0.968 507 H GLN 61 H GLN 61 -0.843 2.564 5.361 508 HA GLN 61 HA GLN 61 1.852 1.572 5.795 509 HB2 GLN 61 2HB GLN 61 0.207 3.029 7.369 510 HB3 GLN 61 3HB GLN 61 -0.142 1.415 7.975 511 HG2 GLN 61 2HG GLN 61 2.239 1.066 8.407 512 HG3 GLN 61 3HG GLN 61 2.579 2.691 7.814 513 HE21 GLN 61 1HE2 GLN 61 3.090 1.533 10.431 514 HE22 GLN 61 2HE2 GLN 61 2.256 2.527 11.572 515 H MET 62 H MET 62 -0.727 0.216 4.473 516 HA MET 62 HA MET 62 -0.744 -2.276 5.971 517 HB2 MET 62 2HB MET 62 -2.173 -1.719 3.376 518 HB3 MET 62 3HB MET 62 -2.555 -2.942 4.580 519 HG2 MET 62 2HG MET 62 -2.770 0.025 5.031 520 HG3 MET 62 3HG MET 62 -4.110 -1.023 4.572 521 HE1 MET 62 3HE MET 62 -5.285 -0.124 7.708 522 HE2 MET 62 1HE MET 62 -5.570 -0.622 6.040 523 HE3 MET 62 2HE MET 62 -5.739 -1.791 7.349 524 H SER 63 H SER 63 -0.451 -1.588 2.483 525 HA SER 63 HA SER 63 0.777 -2.574 0.841 526 HB2 SER 63 2HB SER 63 2.811 -3.139 3.005 527 HB3 SER 63 3HB SER 63 3.108 -2.941 1.278 528 HG SER 63 HG SER 63 3.559 -1.068 2.665 529 H ALA 64 H ALA 64 -1.038 -4.213 2.541 530 HA ALA 64 HA ALA 64 -0.571 -6.713 1.353 531 HB1 ALA 64 1HB ALA 64 1.229 -7.079 2.830 532 HB2 ALA 64 2HB ALA 64 0.325 -6.457 4.212 533 HB3 ALA 64 3HB ALA 64 -0.122 -8.002 3.488 534 H GLY 65 H GLY 65 -2.776 -5.129 1.465 535 HA2 GLY 65 2HA GLY 65 -4.585 -6.683 3.210 536 HA3 GLY 65 3HA GLY 65 -4.784 -4.954 2.972 537 H ALA 66 H ALA 66 -5.773 -7.971 1.969 538 HA ALA 66 HA ALA 66 -6.217 -7.614 -0.782 539 HB1 ALA 66 1HB ALA 66 -7.827 -9.267 1.161 540 HB2 ALA 66 2HB ALA 66 -7.807 -9.442 -0.594 541 HB3 ALA 66 3HB ALA 66 -6.354 -9.790 0.343 542 H THR 67 H THR 67 -7.844 -6.711 -1.944 543 HA THR 67 HA THR 67 -9.980 -5.350 -0.434 544 HB THR 67 HB THR 67 -9.584 -4.005 -2.903 545 HG1 THR 67 HG1 THR 67 -7.356 -3.260 -2.340 546 HG21 THR 67 3HG2 THR 67 -9.214 -2.084 -1.486 547 HG22 THR 67 1HG2 THR 67 -8.851 -3.124 -0.109 548 HG23 THR 67 2HG2 THR 67 -10.483 -3.083 -0.777 549 H PHE 68 H PHE 68 -12.033 -5.461 -1.234 550 HA PHE 68 HA PHE 68 -12.421 -6.903 -3.769 551 HB2 PHE 68 2HB PHE 68 -12.899 -8.578 -2.194 552 HB3 PHE 68 3HB PHE 68 -13.679 -7.447 -1.093 553 HD1 PHE 68 HD1 PHE 68 -14.094 -8.629 -4.611 554 HD2 PHE 68 HD2 PHE 68 -15.953 -7.609 -0.921 555 HE1 PHE 68 HE1 PHE 68 -16.286 -9.234 -5.552 556 HE2 PHE 68 HE2 PHE 68 -18.148 -8.213 -1.855 557 HZ PHE 68 HZ PHE 68 -18.316 -9.027 -4.173 558 H HIS 69 H HIS 69 -13.406 -5.574 -5.131 559 HA HIS 69 HA HIS 69 -15.124 -3.448 -4.125 560 HB2 HIS 69 2HB HIS 69 -14.067 -4.053 -6.892 561 HB3 HIS 69 3HB HIS 69 -15.123 -2.694 -6.517 562 HD1 HIS 69 HD1 HIS 69 -13.588 -0.751 -6.821 563 HD2 HIS 69 HD2 HIS 69 -11.913 -3.729 -4.458 564 HE1 HIS 69 HE1 HIS 69 -11.438 0.216 -5.944 565 H MET 70 H MET 70 -17.286 -3.226 -4.599 566 HA MET 70 HA MET 70 -18.569 -5.466 -6.012 567 HB2 MET 70 2HB MET 70 -18.966 -5.913 -3.709 568 HB3 MET 70 3HB MET 70 -19.352 -4.230 -3.376 569 HG2 MET 70 2HG MET 70 -21.478 -4.435 -4.080 570 HG3 MET 70 3HG MET 70 -21.058 -5.561 -5.369 571 HE1 MET 70 3HE MET 70 -22.749 -5.020 -2.174 572 HE2 MET 70 1HE MET 70 -23.723 -5.840 -3.395 573 HE3 MET 70 2HE MET 70 -23.379 -6.638 -1.860 574 H VAL 71 H VAL 71 -20.036 -4.902 -7.504 575 HA VAL 71 HA VAL 71 -21.036 -2.131 -7.496 576 HB VAL 71 HB VAL 71 -20.989 -2.283 -10.030 577 HG11 VAL 71 1HG1 VAL 71 -19.456 -0.813 -9.049 578 HG12 VAL 71 2HG1 VAL 71 -18.506 -2.126 -8.351 579 HG13 VAL 71 3HG1 VAL 71 -18.469 -1.838 -10.091 580 HG21 VAL 71 3HG2 VAL 71 -20.142 -4.058 -11.089 581 HG22 VAL 71 1HG2 VAL 71 -18.743 -4.130 -10.017 582 HG23 VAL 71 2HG2 VAL 71 -20.258 -4.899 -9.543 583 H VAL 72 H VAL 72 -23.146 -2.261 -7.096 584 HA VAL 72 HA VAL 72 -24.702 -4.360 -8.463 585 HB VAL 72 HB VAL 72 -24.762 -4.711 -6.068 586 HG11 VAL 72 1HG1 VAL 72 -26.239 -2.412 -5.214 587 HG12 VAL 72 2HG1 VAL 72 -24.708 -3.043 -4.603 588 HG13 VAL 72 3HG1 VAL 72 -24.719 -1.901 -5.947 589 HG21 VAL 72 3HG2 VAL 72 -27.043 -4.998 -5.849 590 HG22 VAL 72 1HG2 VAL 72 -27.417 -3.470 -6.648 591 HG23 VAL 72 2HG2 VAL 72 -26.867 -4.851 -7.597 592 H ALA 73 H ALA 73 -26.133 -3.679 -9.910 593 HA ALA 73 HA ALA 73 -26.580 -0.879 -10.335 594 HB1 ALA 73 1HB ALA 73 -27.466 -1.463 -12.355 595 HB2 ALA 73 2HB ALA 73 -26.495 -2.901 -12.033 596 HB3 ALA 73 3HB ALA 73 -28.231 -2.922 -11.724 597 H LEU 74 H LEU 74 -27.578 -0.296 -8.324 598 HA LEU 74 HA LEU 74 -30.126 -1.427 -7.609 599 HB2 LEU 74 2HB LEU 74 -28.815 1.081 -6.574 600 HB3 LEU 74 3HB LEU 74 -30.139 0.194 -5.822 601 HG LEU 74 HG LEU 74 -27.680 -1.365 -6.236 602 HD11 LEU 74 1HD1 LEU 74 -26.448 0.488 -5.620 603 HD12 LEU 74 2HD1 LEU 74 -26.780 -0.271 -4.063 604 HD13 LEU 74 3HD1 LEU 74 -27.725 1.124 -4.583 605 HD21 LEU 74 3HD2 LEU 74 -28.294 -1.701 -3.689 606 HD22 LEU 74 1HD2 LEU 74 -29.200 -2.505 -4.970 607 HD23 LEU 74 2HD2 LEU 74 -29.843 -1.044 -4.221 608 H ARG 75 H ARG 75 -29.003 1.681 -8.917 609 HA ARG 75 HA ARG 75 -31.412 3.020 -9.069 610 HB2 ARG 75 2HB ARG 75 -28.792 3.271 -10.247 611 HB3 ARG 75 3HB ARG 75 -30.029 3.675 -11.430 612 HG2 ARG 75 2HG ARG 75 -29.529 5.704 -10.410 613 HG3 ARG 75 3HG ARG 75 -31.014 5.180 -9.613 614 HD2 ARG 75 2HD ARG 75 -29.540 4.180 -7.817 615 HD3 ARG 75 3HD ARG 75 -28.198 5.047 -8.563 616 HE ARG 75 HE ARG 75 -30.242 6.883 -8.098 617 HH11 ARG 75 1HH1 ARG 75 -28.078 4.850 -6.280 618 HH12 ARG 75 2HH1 ARG 75 -28.034 5.903 -4.905 619 HH21 ARG 75 1HH2 ARG 75 -30.193 8.278 -6.294 620 HH22 ARG 75 2HH2 ARG 75 -29.238 7.853 -4.914 621 H ALA 76 H ALA 76 -29.936 0.983 -11.596 622 HA ALA 76 HA ALA 76 -32.472 0.957 -13.045 623 HB1 ALA 76 1HB ALA 76 -30.459 -0.642 -14.297 624 HB2 ALA 76 2HB ALA 76 -31.202 0.855 -14.861 625 HB3 ALA 76 3HB ALA 76 -29.771 0.914 -13.833 626 H GLY 77 H GLY 77 -33.090 -1.209 -14.042 627 HA2 GLY 77 2HA GLY 77 -32.447 -3.701 -13.274 628 HA3 GLY 77 3HA GLY 77 -33.333 -3.120 -11.872 629 H CYS 78 H CYS 78 -33.557 -3.821 -15.313 630 HA CYS 78 HA CYS 78 -36.235 -3.244 -15.750 631 HB2 CYS 78 2HB CYS 78 -36.120 -4.901 -17.583 632 HB3 CYS 78 3HB CYS 78 -34.730 -3.822 -17.570 633 HG CYS 78 HG CYS 78 -33.152 -5.811 -16.161 Start of MODEL 18 1 H MET 1 H MET 1 1.959 -0.264 1.166 2 HA MET 1 HA MET 1 2.436 0.622 -1.309 3 HB2 MET 1 2HB MET 1 4.023 -0.543 0.396 4 HB3 MET 1 3HB MET 1 3.692 -1.993 -0.543 5 HG2 MET 1 2HG MET 1 4.542 -0.918 -2.545 6 HG3 MET 1 3HG MET 1 4.823 0.569 -1.642 7 HE1 MET 1 3HE MET 1 7.437 0.448 -2.635 8 HE2 MET 1 1HE MET 1 7.041 1.205 -1.092 9 HE3 MET 1 2HE MET 1 8.458 0.163 -1.224 10 H LEU 2 H LEU 2 1.946 -2.879 -0.820 11 HA LEU 2 HA LEU 2 0.865 -3.016 -3.551 12 HB2 LEU 2 2HB LEU 2 2.784 -4.398 -3.307 13 HB3 LEU 2 3HB LEU 2 2.178 -5.078 -1.798 14 HG LEU 2 HG LEU 2 0.516 -5.538 -4.199 15 HD11 LEU 2 1HD1 LEU 2 2.237 -6.232 -5.448 16 HD12 LEU 2 2HD1 LEU 2 2.255 -7.631 -4.376 17 HD13 LEU 2 3HD1 LEU 2 3.343 -6.276 -4.075 18 HD21 LEU 2 3HD2 LEU 2 -0.304 -6.607 -2.330 19 HD22 LEU 2 1HD2 LEU 2 1.303 -6.975 -1.703 20 HD23 LEU 2 2HD2 LEU 2 0.661 -7.885 -3.071 21 H LEU 3 H LEU 3 -1.220 -3.444 -3.837 22 HA LEU 3 HA LEU 3 -2.689 -4.906 -1.767 23 HB2 LEU 3 2HB LEU 3 -4.388 -3.335 -1.561 24 HB3 LEU 3 3HB LEU 3 -2.915 -2.368 -1.550 25 HG LEU 3 HG LEU 3 -4.712 -2.740 -3.945 26 HD11 LEU 3 1HD1 LEU 3 -6.048 -1.227 -3.028 27 HD12 LEU 3 2HD1 LEU 3 -4.715 -0.075 -3.089 28 HD13 LEU 3 3HD1 LEU 3 -4.974 -1.047 -1.641 29 HD21 LEU 3 3HD2 LEU 3 -2.250 -1.095 -3.426 30 HD22 LEU 3 1HD2 LEU 3 -3.389 -0.713 -4.717 31 HD23 LEU 3 2HD2 LEU 3 -2.542 -2.260 -4.719 32 H LYS 4 H LYS 4 -4.499 -6.041 -2.507 33 HA LYS 4 HA LYS 4 -4.679 -6.270 -5.440 34 HB2 LYS 4 2HB LYS 4 -3.843 -8.322 -4.584 35 HB3 LYS 4 3HB LYS 4 -5.007 -8.331 -3.266 36 HG2 LYS 4 2HG LYS 4 -6.242 -8.299 -5.909 37 HG3 LYS 4 3HG LYS 4 -5.240 -9.720 -5.606 38 HD2 LYS 4 2HD LYS 4 -6.952 -9.004 -3.351 39 HD3 LYS 4 3HD LYS 4 -7.852 -9.401 -4.817 40 HE2 LYS 4 2HE LYS 4 -6.953 -11.557 -4.921 41 HE3 LYS 4 3HE LYS 4 -5.627 -11.154 -3.832 42 HZ1 LYS 4 3HZ LYS 4 -7.062 -12.376 -2.513 43 HZ2 LYS 4 1HZ LYS 4 -8.454 -11.683 -3.181 44 HZ3 LYS 4 2HZ LYS 4 -7.485 -10.785 -2.125 45 H VAL 5 H VAL 5 -6.447 -5.307 -6.185 46 HA VAL 5 HA VAL 5 -8.893 -5.368 -4.550 47 HB VAL 5 HB VAL 5 -9.677 -3.480 -5.931 48 HG11 VAL 5 1HG1 VAL 5 -7.247 -3.372 -4.253 49 HG12 VAL 5 2HG1 VAL 5 -7.625 -1.925 -5.190 50 HG13 VAL 5 3HG1 VAL 5 -8.805 -2.572 -4.049 51 HG21 VAL 5 3HG2 VAL 5 -8.745 -3.120 -7.916 52 HG22 VAL 5 1HG2 VAL 5 -7.297 -2.549 -7.086 53 HG23 VAL 5 2HG2 VAL 5 -7.435 -4.244 -7.554 54 H LYS 6 H LYS 6 -10.601 -6.493 -5.223 55 HA LYS 6 HA LYS 6 -10.745 -7.290 -8.052 56 HB2 LYS 6 2HB LYS 6 -11.582 -9.502 -7.350 57 HB3 LYS 6 3HB LYS 6 -9.938 -9.207 -6.797 58 HG2 LYS 6 2HG LYS 6 -11.055 -8.436 -4.604 59 HG3 LYS 6 3HG LYS 6 -12.473 -9.293 -5.214 60 HD2 LYS 6 2HD LYS 6 -10.249 -10.996 -5.582 61 HD3 LYS 6 3HD LYS 6 -10.142 -10.350 -3.943 62 HE2 LYS 6 2HE LYS 6 -12.308 -11.156 -3.395 63 HE3 LYS 6 3HE LYS 6 -12.663 -11.540 -5.078 64 HZ1 LYS 6 3HZ LYS 6 -11.228 -13.075 -3.108 65 HZ2 LYS 6 1HZ LYS 6 -10.442 -12.990 -4.604 66 HZ3 LYS 6 2HZ LYS 6 -12.022 -13.587 -4.511 67 H THR 7 H THR 7 -12.609 -6.766 -8.978 68 HA THR 7 HA THR 7 -14.798 -5.800 -7.328 69 HB THR 7 HB THR 7 -14.095 -4.504 -9.314 70 HG1 THR 7 HG1 THR 7 -16.339 -4.479 -10.253 71 HG21 THR 7 3HG2 THR 7 -13.775 -5.447 -11.308 72 HG22 THR 7 1HG2 THR 7 -15.414 -6.097 -11.314 73 HG23 THR 7 2HG2 THR 7 -14.105 -7.015 -10.570 74 H VAL 8 H VAL 8 -17.075 -6.354 -8.238 75 HA VAL 8 HA VAL 8 -17.543 -9.089 -7.766 76 HB VAL 8 HB VAL 8 -19.209 -7.276 -7.373 77 HG11 VAL 8 1HG1 VAL 8 -20.274 -7.351 -10.084 78 HG12 VAL 8 2HG1 VAL 8 -20.026 -5.980 -9.001 79 HG13 VAL 8 3HG1 VAL 8 -18.690 -6.583 -9.983 80 HG21 VAL 8 3HG2 VAL 8 -20.984 -8.703 -7.574 81 HG22 VAL 8 1HG2 VAL 8 -20.534 -9.210 -9.202 82 HG23 VAL 8 2HG2 VAL 8 -19.659 -9.843 -7.808 83 H SER 9 H SER 9 -16.556 -7.457 -10.571 84 HA SER 9 HA SER 9 -17.715 -9.322 -12.450 85 HB2 SER 9 2HB SER 9 -16.679 -6.731 -12.625 86 HB3 SER 9 3HB SER 9 -15.531 -7.733 -13.514 87 HG SER 9 HG SER 9 -17.349 -8.564 -14.687 88 H ASN 10 H ASN 10 -15.528 -9.869 -10.246 89 HA ASN 10 HA ASN 10 -13.880 -11.412 -9.964 90 HB2 ASN 10 2HB ASN 10 -15.456 -12.424 -12.041 91 HB3 ASN 10 3HB ASN 10 -13.801 -12.556 -12.629 92 HD21 ASN 10 1HD2 ASN 10 -16.108 -13.630 -10.292 93 HD22 ASN 10 2HD2 ASN 10 -15.166 -14.928 -9.649 94 H LYS 11 H LYS 11 -13.387 -8.741 -11.131 95 HA LYS 11 HA LYS 11 -11.000 -9.232 -12.758 96 HB2 LYS 11 2HB LYS 11 -12.570 -6.725 -12.157 97 HB3 LYS 11 3HB LYS 11 -11.036 -6.712 -13.015 98 HG2 LYS 11 2HG LYS 11 -12.043 -8.223 -14.714 99 HG3 LYS 11 3HG LYS 11 -13.592 -8.038 -13.888 100 HD2 LYS 11 2HD LYS 11 -13.900 -5.935 -14.661 101 HD3 LYS 11 3HD LYS 11 -12.185 -5.533 -14.557 102 HE2 LYS 11 2HE LYS 11 -11.847 -6.025 -16.707 103 HE3 LYS 11 3HE LYS 11 -12.718 -7.552 -16.572 104 HZ1 LYS 11 3HZ LYS 11 -14.542 -6.658 -17.454 105 HZ2 LYS 11 1HZ LYS 11 -13.558 -5.374 -17.949 106 HZ3 LYS 11 2HZ LYS 11 -14.441 -5.257 -16.511 107 H VAL 12 H VAL 12 -9.572 -9.966 -11.179 108 HA VAL 12 HA VAL 12 -9.024 -8.247 -8.887 109 HB VAL 12 HB VAL 12 -7.629 -10.828 -9.584 110 HG11 VAL 12 1HG1 VAL 12 -7.502 -10.811 -6.987 111 HG12 VAL 12 2HG1 VAL 12 -6.390 -9.808 -7.920 112 HG13 VAL 12 3HG1 VAL 12 -7.809 -9.083 -7.163 113 HG21 VAL 12 3HG2 VAL 12 -9.450 -11.367 -7.560 114 HG22 VAL 12 1HG2 VAL 12 -10.359 -10.399 -8.720 115 HG23 VAL 12 2HG2 VAL 12 -9.563 -11.884 -9.243 116 H ILE 13 H ILE 13 -7.349 -6.891 -8.758 117 HA ILE 13 HA ILE 13 -5.199 -7.128 -10.757 118 HB ILE 13 HB ILE 13 -6.353 -4.519 -9.768 119 HG12 ILE 13 2HG1 ILE 13 -7.952 -5.704 -11.213 120 HG13 ILE 13 3HG1 ILE 13 -7.306 -4.276 -12.014 121 HG21 ILE 13 1HG2 ILE 13 -4.191 -5.227 -11.726 122 HG22 ILE 13 2HG2 ILE 13 -5.008 -3.665 -11.761 123 HG23 ILE 13 3HG2 ILE 13 -4.106 -4.156 -10.328 124 HD11 ILE 13 3HD1 ILE 13 -6.743 -5.537 -13.734 125 HD12 ILE 13 1HD1 ILE 13 -5.628 -6.430 -12.700 126 HD13 ILE 13 2HD1 ILE 13 -7.293 -6.982 -12.886 127 H GLN 14 H GLN 14 -3.339 -7.521 -9.773 128 HA GLN 14 HA GLN 14 -2.938 -6.542 -7.034 129 HB2 GLN 14 2HB GLN 14 -1.009 -8.193 -7.054 130 HB3 GLN 14 3HB GLN 14 -2.625 -8.885 -7.119 131 HG2 GLN 14 2HG GLN 14 -2.405 -9.196 -9.526 132 HG3 GLN 14 3HG GLN 14 -0.791 -8.487 -9.473 133 HE21 GLN 14 1HE2 GLN 14 0.810 -9.600 -8.137 134 HE22 GLN 14 2HE2 GLN 14 0.740 -11.322 -8.020 135 H ILE 15 H ILE 15 -1.920 -4.654 -6.942 136 HA ILE 15 HA ILE 15 0.348 -4.201 -8.770 137 HB ILE 15 HB ILE 15 -0.100 -1.788 -8.604 138 HG12 ILE 15 2HG1 ILE 15 -1.408 -2.204 -6.358 139 HG13 ILE 15 3HG1 ILE 15 -1.849 -0.862 -7.409 140 HG21 ILE 15 1HG2 ILE 15 -2.300 -1.830 -9.889 141 HG22 ILE 15 2HG2 ILE 15 -0.975 -2.798 -10.533 142 HG23 ILE 15 3HG2 ILE 15 -2.280 -3.576 -9.638 143 HD11 ILE 15 3HD1 ILE 15 -3.221 -3.457 -7.822 144 HD12 ILE 15 1HD1 ILE 15 -3.649 -2.501 -6.403 145 HD13 ILE 15 2HD1 ILE 15 -3.822 -1.810 -8.017 146 H THR 16 H THR 16 2.138 -3.026 -7.939 147 HA THR 16 HA THR 16 2.305 -3.027 -4.995 148 HB THR 16 HB THR 16 3.701 -4.807 -5.810 149 HG1 THR 16 HG1 THR 16 5.480 -4.194 -4.732 150 HG21 THR 16 3HG2 THR 16 5.742 -3.761 -7.285 151 HG22 THR 16 1HG2 THR 16 4.362 -2.849 -7.895 152 HG23 THR 16 2HG2 THR 16 4.351 -4.612 -7.957 153 H SER 17 H SER 17 1.412 -0.755 -5.754 154 HA SER 17 HA SER 17 3.477 1.116 -5.219 155 HB2 SER 17 2HB SER 17 4.164 1.061 -7.450 156 HB3 SER 17 3HB SER 17 2.523 0.825 -8.052 157 HG SER 17 HG SER 17 3.214 2.949 -8.431 158 H LEU 18 H LEU 18 1.911 1.517 -3.569 159 HA LEU 18 HA LEU 18 -0.513 2.911 -4.476 160 HB2 LEU 18 2HB LEU 18 0.001 1.031 -2.392 161 HB3 LEU 18 3HB LEU 18 -0.537 2.546 -1.670 162 HG LEU 18 HG LEU 18 -2.026 0.874 -3.691 163 HD11 LEU 18 1HD1 LEU 18 -3.699 0.956 -1.710 164 HD12 LEU 18 2HD1 LEU 18 -2.272 1.340 -0.749 165 HD13 LEU 18 3HD1 LEU 18 -2.344 -0.171 -1.656 166 HD21 LEU 18 3HD2 LEU 18 -2.422 3.657 -2.716 167 HD22 LEU 18 1HD2 LEU 18 -3.843 2.645 -2.981 168 HD23 LEU 18 2HD2 LEU 18 -2.726 2.961 -4.309 169 H THR 19 H THR 19 -1.117 4.892 -3.473 170 HA THR 19 HA THR 19 1.168 6.562 -2.844 171 HB THR 19 HB THR 19 -1.525 7.752 -2.665 172 HG1 THR 19 HG1 THR 19 -2.130 7.329 -4.680 173 HG21 THR 19 3HG2 THR 19 -0.052 9.450 -2.832 174 HG22 THR 19 1HG2 THR 19 -0.124 9.113 -4.562 175 HG23 THR 19 2HG2 THR 19 1.180 8.438 -3.585 176 H ASP 20 H ASP 20 0.592 8.355 -1.109 177 HA ASP 20 HA ASP 20 -0.401 6.979 1.300 178 HB2 ASP 20 2HB ASP 20 1.328 8.593 2.457 179 HB3 ASP 20 3HB ASP 20 1.854 7.053 1.784 180 H ASP 21 H ASP 21 -1.122 9.306 -0.804 181 HA ASP 21 HA ASP 21 -1.943 11.317 1.155 182 HB2 ASP 21 2HB ASP 21 -1.149 11.394 -1.594 183 HB3 ASP 21 3HB ASP 21 -2.785 12.035 -1.459 184 H ASN 22 H ASN 22 -3.365 9.388 -1.480 185 HA ASN 22 HA ASN 22 -5.977 9.671 -0.145 186 HB2 ASN 22 2HB ASN 22 -5.237 9.590 -3.054 187 HB3 ASN 22 3HB ASN 22 -6.843 9.087 -2.534 188 HD21 ASN 22 1HD2 ASN 22 -6.554 11.188 -4.231 189 HD22 ASN 22 2HD2 ASN 22 -6.957 12.661 -3.423 190 H THR 23 H THR 23 -3.898 7.499 -2.015 191 HA THR 23 HA THR 23 -3.725 5.230 -2.085 192 HB THR 23 HB THR 23 -5.145 5.441 0.575 193 HG1 THR 23 HG1 THR 23 -2.468 5.464 -0.277 194 HG21 THR 23 3HG2 THR 23 -5.551 3.231 -0.062 195 HG22 THR 23 1HG2 THR 23 -4.061 3.118 0.874 196 HG23 THR 23 2HG2 THR 23 -4.000 3.083 -0.888 197 H ILE 24 H ILE 24 -6.792 5.239 -0.330 198 HA ILE 24 HA ILE 24 -7.994 3.472 -2.220 199 HB ILE 24 HB ILE 24 -9.324 5.031 -0.001 200 HG12 ILE 24 2HG1 ILE 24 -9.133 2.497 0.926 201 HG13 ILE 24 3HG1 ILE 24 -7.660 2.582 -0.033 202 HG21 ILE 24 1HG2 ILE 24 -10.273 3.081 -1.967 203 HG22 ILE 24 2HG2 ILE 24 -10.709 2.703 -0.301 204 HG23 ILE 24 3HG2 ILE 24 -11.172 4.253 -1.004 205 HD11 ILE 24 3HD1 ILE 24 -7.998 3.443 2.568 206 HD12 ILE 24 1HD1 ILE 24 -6.640 3.808 1.504 207 HD13 ILE 24 2HD1 ILE 24 -7.998 4.928 1.618 208 H ALA 25 H ALA 25 -8.551 6.879 -1.358 209 HA ALA 25 HA ALA 25 -10.621 7.392 -3.159 210 HB1 ALA 25 1HB ALA 25 -9.290 8.845 -1.268 211 HB2 ALA 25 2HB ALA 25 -8.786 9.633 -2.763 212 HB3 ALA 25 3HB ALA 25 -10.501 9.486 -2.378 213 H GLU 26 H GLU 26 -7.121 7.477 -3.593 214 HA GLU 26 HA GLU 26 -7.162 8.630 -6.186 215 HB2 GLU 26 2HB GLU 26 -5.149 8.709 -4.844 216 HB3 GLU 26 3HB GLU 26 -5.072 6.953 -4.790 217 HG2 GLU 26 2HG GLU 26 -3.830 6.953 -6.612 218 HG3 GLU 26 3HG GLU 26 -5.143 7.711 -7.511 219 H LEU 27 H LEU 27 -7.138 5.304 -5.000 220 HA LEU 27 HA LEU 27 -6.823 4.060 -7.520 221 HB2 LEU 27 2HB LEU 27 -7.167 3.266 -4.812 222 HB3 LEU 27 3HB LEU 27 -8.343 2.394 -5.793 223 HG LEU 27 HG LEU 27 -5.661 2.356 -6.936 224 HD11 LEU 27 1HD1 LEU 27 -4.722 0.805 -5.294 225 HD12 LEU 27 2HD1 LEU 27 -6.107 1.085 -4.239 226 HD13 LEU 27 3HD1 LEU 27 -4.992 2.403 -4.598 227 HD21 LEU 27 3HD2 LEU 27 -7.240 -0.019 -6.052 228 HD22 LEU 27 1HD2 LEU 27 -6.226 0.190 -7.480 229 HD23 LEU 27 2HD2 LEU 27 -7.812 0.959 -7.405 230 H LYS 28 H LYS 28 -9.711 4.710 -5.547 231 HA LYS 28 HA LYS 28 -11.564 3.646 -7.393 232 HB2 LYS 28 2HB LYS 28 -13.263 4.780 -6.074 233 HB3 LYS 28 3HB LYS 28 -12.083 4.022 -5.013 234 HG2 LYS 28 2HG LYS 28 -10.974 6.222 -4.754 235 HG3 LYS 28 3HG LYS 28 -12.271 6.945 -5.710 236 HD2 LYS 28 2HD LYS 28 -12.661 5.427 -3.131 237 HD3 LYS 28 3HD LYS 28 -12.616 7.186 -3.272 238 HE2 LYS 28 2HE LYS 28 -14.494 6.802 -5.044 239 HE3 LYS 28 3HE LYS 28 -14.687 5.253 -4.224 240 HZ1 LYS 28 3HZ LYS 28 -15.000 7.964 -3.073 241 HZ2 LYS 28 1HZ LYS 28 -14.878 6.575 -2.115 242 HZ3 LYS 28 2HZ LYS 28 -16.167 6.745 -3.197 243 H GLY 29 H GLY 29 -10.259 6.895 -6.912 244 HA2 GLY 29 2HA GLY 29 -11.969 8.198 -8.761 245 HA3 GLY 29 3HA GLY 29 -10.430 8.809 -8.172 246 H LYS 30 H LYS 30 -8.916 6.505 -9.115 247 HA LYS 30 HA LYS 30 -8.432 7.424 -11.784 248 HB2 LYS 30 2HB LYS 30 -7.238 5.251 -10.077 249 HB3 LYS 30 3HB LYS 30 -6.771 5.461 -11.759 250 HG2 LYS 30 2HG LYS 30 -6.662 7.809 -9.933 251 HG3 LYS 30 3HG LYS 30 -5.402 6.578 -9.831 252 HD2 LYS 30 2HD LYS 30 -5.894 7.231 -12.578 253 HD3 LYS 30 3HD LYS 30 -5.596 8.710 -11.661 254 HE2 LYS 30 2HE LYS 30 -3.780 6.499 -11.023 255 HE3 LYS 30 3HE LYS 30 -3.663 7.077 -12.685 256 HZ1 LYS 30 3HZ LYS 30 -2.276 8.563 -11.760 257 HZ2 LYS 30 1HZ LYS 30 -2.932 8.399 -10.209 258 HZ3 LYS 30 2HZ LYS 30 -3.700 9.381 -11.352 259 H LEU 31 H LEU 31 -9.929 4.593 -10.326 260 HA LEU 31 HA LEU 31 -10.186 3.103 -12.730 261 HB2 LEU 31 2HB LEU 31 -10.387 2.383 -10.226 262 HB3 LEU 31 3HB LEU 31 -12.084 2.804 -10.444 263 HG LEU 31 HG LEU 31 -11.692 0.404 -10.711 264 HD11 LEU 31 1HD1 LEU 31 -13.308 1.919 -12.182 265 HD12 LEU 31 2HD1 LEU 31 -13.175 0.176 -12.412 266 HD13 LEU 31 3HD1 LEU 31 -12.298 1.275 -13.477 267 HD21 LEU 31 3HD2 LEU 31 -10.154 0.994 -13.216 268 HD22 LEU 31 1HD2 LEU 31 -10.292 -0.523 -12.327 269 HD23 LEU 31 2HD2 LEU 31 -9.338 0.805 -11.663 270 H GLU 32 H GLU 32 -12.379 5.251 -10.954 271 HA GLU 32 HA GLU 32 -14.579 4.911 -12.713 272 HB2 GLU 32 2HB GLU 32 -15.475 6.950 -11.615 273 HB3 GLU 32 3HB GLU 32 -14.947 5.724 -10.472 274 HG2 GLU 32 2HG GLU 32 -14.038 7.554 -9.495 275 HG3 GLU 32 3HG GLU 32 -12.704 7.111 -10.560 276 H GLU 33 H GLU 33 -11.930 7.239 -12.552 277 HA GLU 33 HA GLU 33 -12.900 8.950 -14.595 278 HB2 GLU 33 2HB GLU 33 -11.121 9.472 -12.848 279 HB3 GLU 33 3HB GLU 33 -10.002 8.565 -13.856 280 HG2 GLU 33 2HG GLU 33 -9.669 10.796 -14.445 281 HG3 GLU 33 3HG GLU 33 -10.666 10.134 -15.739 282 H SER 34 H SER 34 -10.873 6.081 -14.589 283 HA SER 34 HA SER 34 -9.934 6.259 -17.237 284 HB2 SER 34 2HB SER 34 -9.232 4.000 -16.991 285 HB3 SER 34 3HB SER 34 -9.091 4.720 -15.387 286 HG SER 34 HG SER 34 -10.229 3.007 -14.874 287 H GLU 35 H GLU 35 -12.774 4.652 -15.849 288 HA GLU 35 HA GLU 35 -13.684 3.762 -18.444 289 HB2 GLU 35 2HB GLU 35 -14.696 3.504 -15.637 290 HB3 GLU 35 3HB GLU 35 -15.777 3.173 -16.983 291 HG2 GLU 35 2HG GLU 35 -13.105 1.861 -16.908 292 HG3 GLU 35 3HG GLU 35 -14.398 1.257 -15.873 293 H GLY 36 H GLY 36 -13.752 6.660 -16.839 294 HA2 GLY 36 2HA GLY 36 -14.733 8.622 -17.692 295 HA3 GLY 36 3HA GLY 36 -15.890 7.634 -18.572 296 H ILE 37 H ILE 37 -16.925 6.068 -16.554 297 HA ILE 37 HA ILE 37 -17.941 7.944 -14.546 298 HB ILE 37 HB ILE 37 -20.257 6.965 -14.928 299 HG12 ILE 37 2HG1 ILE 37 -19.097 6.289 -17.638 300 HG13 ILE 37 3HG1 ILE 37 -19.427 5.096 -16.386 301 HG21 ILE 37 1HG2 ILE 37 -19.444 8.535 -17.325 302 HG22 ILE 37 2HG2 ILE 37 -20.834 8.740 -16.261 303 HG23 ILE 37 3HG2 ILE 37 -19.231 9.245 -15.725 304 HD11 ILE 37 3HD1 ILE 37 -21.154 5.932 -18.366 305 HD12 ILE 37 1HD1 ILE 37 -21.574 5.007 -16.925 306 HD13 ILE 37 2HD1 ILE 37 -21.728 6.764 -16.921 307 HA PRO 38 HA PRO 38 -17.588 4.570 -11.759 308 HB2 PRO 38 2HB PRO 38 -19.600 5.109 -10.018 309 HB3 PRO 38 3HB PRO 38 -18.108 6.054 -10.083 310 HG2 PRO 38 2HG PRO 38 -20.787 6.660 -11.272 311 HG3 PRO 38 3HG PRO 38 -19.672 7.742 -10.418 312 HD2 PRO 38 2HD PRO 38 -19.871 7.690 -13.118 313 HD3 PRO 38 3HD PRO 38 -18.349 8.052 -12.280 314 H GLY 39 H GLY 39 -18.290 2.504 -11.551 315 HA2 GLY 39 2HA GLY 39 -20.139 1.393 -13.270 316 HA3 GLY 39 3HA GLY 39 -19.611 0.637 -11.774 317 H ASN 40 H ASN 40 -20.657 2.347 -9.886 318 HA ASN 40 HA ASN 40 -23.277 3.183 -10.200 319 HB2 ASN 40 2HB ASN 40 -23.103 0.364 -10.318 320 HB3 ASN 40 3HB ASN 40 -23.793 0.757 -8.746 321 HD21 ASN 40 1HD2 ASN 40 -24.302 0.619 -12.119 322 HD22 ASN 40 2HD2 ASN 40 -25.942 1.165 -12.124 323 H MET 41 H MET 41 -21.906 0.951 -7.782 324 HA MET 41 HA MET 41 -22.308 3.040 -5.755 325 HB2 MET 41 2HB MET 41 -22.234 0.044 -5.638 326 HB3 MET 41 3HB MET 41 -21.911 0.989 -4.192 327 HG2 MET 41 2HG MET 41 -24.152 2.179 -4.859 328 HG3 MET 41 3HG MET 41 -24.433 0.673 -5.728 329 HE1 MET 41 3HE MET 41 -26.796 0.621 -3.450 330 HE2 MET 41 1HE MET 41 -26.102 1.347 -2.000 331 HE3 MET 41 2HE MET 41 -25.953 2.167 -3.554 332 H ILE 42 H ILE 42 -19.944 0.702 -6.960 333 HA ILE 42 HA ILE 42 -17.691 0.505 -6.663 334 HB ILE 42 HB ILE 42 -17.687 3.493 -6.288 335 HG12 ILE 42 2HG1 ILE 42 -19.118 2.988 -8.199 336 HG13 ILE 42 3HG1 ILE 42 -17.591 3.669 -8.751 337 HG21 ILE 42 1HG2 ILE 42 -15.609 2.780 -7.937 338 HG22 ILE 42 2HG2 ILE 42 -15.493 3.089 -6.205 339 HG23 ILE 42 3HG2 ILE 42 -15.686 1.439 -6.795 340 HD11 ILE 42 3HD1 ILE 42 -17.225 1.903 -10.023 341 HD12 ILE 42 1HD1 ILE 42 -17.385 0.821 -8.640 342 HD13 ILE 42 2HD1 ILE 42 -18.812 1.286 -9.566 343 H ARG 43 H ARG 43 -18.816 -0.237 -4.404 344 HA ARG 43 HA ARG 43 -17.315 1.150 -2.281 345 HB2 ARG 43 2HB ARG 43 -20.055 0.044 -2.372 346 HB3 ARG 43 3HB ARG 43 -19.151 -0.279 -0.898 347 HG2 ARG 43 2HG ARG 43 -19.190 2.502 -1.939 348 HG3 ARG 43 3HG ARG 43 -20.645 1.872 -1.166 349 HD2 ARG 43 2HD ARG 43 -19.649 2.608 0.717 350 HD3 ARG 43 3HD ARG 43 -18.773 1.081 0.607 351 HE ARG 43 HE ARG 43 -16.865 2.258 0.164 352 HH11 ARG 43 1HH1 ARG 43 -19.616 4.324 -0.372 353 HH12 ARG 43 2HH1 ARG 43 -18.661 5.748 -0.625 354 HH21 ARG 43 1HH2 ARG 43 -15.598 4.125 -0.167 355 HH22 ARG 43 2HH2 ARG 43 -16.376 5.633 -0.509 356 H LEU 44 H LEU 44 -15.632 0.044 -1.555 357 HA LEU 44 HA LEU 44 -15.624 -2.881 -1.846 358 HB2 LEU 44 2HB LEU 44 -13.177 -2.699 -1.602 359 HB3 LEU 44 3HB LEU 44 -13.807 -1.818 -2.993 360 HG LEU 44 HG LEU 44 -13.719 0.094 -0.997 361 HD11 LEU 44 1HD1 LEU 44 -10.979 -0.823 -0.835 362 HD12 LEU 44 2HD1 LEU 44 -12.101 -1.962 -0.092 363 HD13 LEU 44 3HD1 LEU 44 -12.067 -0.282 0.442 364 HD21 LEU 44 3HD2 LEU 44 -11.366 -0.247 -2.775 365 HD22 LEU 44 1HD2 LEU 44 -12.345 1.184 -2.450 366 HD23 LEU 44 2HD2 LEU 44 -12.952 -0.072 -3.528 367 H VAL 45 H VAL 45 -14.707 -4.167 -0.128 368 HA VAL 45 HA VAL 45 -15.112 -2.940 2.521 369 HB VAL 45 HB VAL 45 -15.387 -5.862 1.810 370 HG11 VAL 45 1HG1 VAL 45 -16.320 -4.435 4.289 371 HG12 VAL 45 2HG1 VAL 45 -16.239 -6.174 3.999 372 HG13 VAL 45 3HG1 VAL 45 -14.754 -5.237 4.171 373 HG21 VAL 45 3HG2 VAL 45 -17.199 -4.895 0.724 374 HG22 VAL 45 1HG2 VAL 45 -17.864 -5.309 2.305 375 HG23 VAL 45 2HG2 VAL 45 -17.396 -3.645 1.954 376 H TYR 46 H TYR 46 -13.366 -2.740 3.746 377 HA TYR 46 HA TYR 46 -10.998 -4.354 3.102 378 HB2 TYR 46 2HB TYR 46 -11.145 -1.679 3.286 379 HB3 TYR 46 3HB TYR 46 -10.793 -2.053 4.970 380 HD1 TYR 46 HD2 TYR 46 -9.586 -3.438 1.710 381 HD2 TYR 46 HD1 TYR 46 -8.572 -1.674 5.446 382 HE1 TYR 46 HE2 TYR 46 -7.199 -3.654 1.157 383 HE2 TYR 46 HE1 TYR 46 -6.183 -1.884 4.904 384 HH TYR 46 HH TYR 46 -5.032 -2.453 1.861 385 H GLN 47 H GLN 47 -10.667 -6.055 4.356 386 HA GLN 47 HA GLN 47 -10.637 -7.456 6.150 387 HB2 GLN 47 2HB GLN 47 -9.418 -5.119 6.919 388 HB3 GLN 47 3HB GLN 47 -10.619 -5.344 8.184 389 HG2 GLN 47 2HG GLN 47 -9.641 -7.806 8.152 390 HG3 GLN 47 3HG GLN 47 -8.228 -6.960 7.524 391 HE21 GLN 47 1HE2 GLN 47 -6.995 -5.772 8.875 392 HE22 GLN 47 2HE2 GLN 47 -7.289 -5.607 10.569 393 H GLY 48 H GLY 48 -13.212 -6.629 5.185 394 HA2 GLY 48 2HA GLY 48 -15.369 -7.208 5.826 395 HA3 GLY 48 3HA GLY 48 -14.787 -7.441 7.468 396 H LYS 49 H LYS 49 -13.710 -4.490 6.412 397 HA LYS 49 HA LYS 49 -15.939 -3.129 7.764 398 HB2 LYS 49 2HB LYS 49 -13.112 -2.932 8.035 399 HB3 LYS 49 3HB LYS 49 -13.697 -1.400 7.399 400 HG2 LYS 49 2HG LYS 49 -13.622 -1.326 9.808 401 HG3 LYS 49 3HG LYS 49 -15.297 -1.256 9.256 402 HD2 LYS 49 2HD LYS 49 -15.186 -2.753 11.123 403 HD3 LYS 49 3HD LYS 49 -15.461 -3.711 9.667 404 HE2 LYS 49 2HE LYS 49 -13.197 -4.421 9.605 405 HE3 LYS 49 3HE LYS 49 -12.724 -3.245 10.830 406 HZ1 LYS 49 3HZ LYS 49 -12.950 -4.968 12.217 407 HZ2 LYS 49 1HZ LYS 49 -13.910 -5.858 11.146 408 HZ3 LYS 49 2HZ LYS 49 -14.610 -4.661 12.113 409 H GLN 50 H GLN 50 -16.446 -0.920 6.984 410 HA GLN 50 HA GLN 50 -16.193 -0.763 4.053 411 HB2 GLN 50 2HB GLN 50 -18.459 0.403 5.661 412 HB3 GLN 50 3HB GLN 50 -18.377 0.166 3.921 413 HG2 GLN 50 2HG GLN 50 -19.547 -1.687 4.277 414 HG3 GLN 50 3HG GLN 50 -18.042 -2.375 4.883 415 HE21 GLN 50 1HE2 GLN 50 -20.761 -3.025 5.625 416 HE22 GLN 50 2HE2 GLN 50 -20.891 -2.734 7.322 417 H LEU 51 H LEU 51 -16.285 1.429 3.147 418 HA LEU 51 HA LEU 51 -15.529 3.567 2.978 419 HB2 LEU 51 2HB LEU 51 -15.893 3.810 5.950 420 HB3 LEU 51 3HB LEU 51 -15.964 5.084 4.735 421 HG LEU 51 HG LEU 51 -18.000 2.879 5.047 422 HD11 LEU 51 1HD1 LEU 51 -19.081 4.118 6.541 423 HD12 LEU 51 2HD1 LEU 51 -18.908 5.573 5.561 424 HD13 LEU 51 3HD1 LEU 51 -17.622 5.100 6.671 425 HD21 LEU 51 3HD2 LEU 51 -18.119 3.536 2.824 426 HD22 LEU 51 1HD2 LEU 51 -17.719 5.214 3.193 427 HD23 LEU 51 2HD2 LEU 51 -19.310 4.576 3.607 428 H GLU 52 H GLU 52 -13.430 3.502 2.447 429 HA GLU 52 HA GLU 52 -11.476 3.337 4.646 430 HB2 GLU 52 2HB GLU 52 -10.912 2.428 1.830 431 HB3 GLU 52 3HB GLU 52 -9.971 2.115 3.282 432 HG2 GLU 52 2HG GLU 52 -12.725 1.026 2.744 433 HG3 GLU 52 3HG GLU 52 -11.217 0.148 2.490 434 H ASP 53 H ASP 53 -12.823 5.294 2.369 435 HA ASP 53 HA ASP 53 -10.736 6.636 1.137 436 HB2 ASP 53 2HB ASP 53 -13.459 6.951 1.251 437 HB3 ASP 53 3HB ASP 53 -12.888 8.398 2.078 438 H GLU 54 H GLU 54 -12.083 7.083 4.373 439 HA GLU 54 HA GLU 54 -10.526 9.369 5.018 440 HB2 GLU 54 2HB GLU 54 -12.587 7.896 6.230 441 HB3 GLU 54 3HB GLU 54 -11.227 7.805 7.340 442 HG2 GLU 54 2HG GLU 54 -12.005 10.443 6.197 443 HG3 GLU 54 3HG GLU 54 -12.955 9.748 7.509 444 H LYS 55 H LYS 55 -9.856 6.004 4.917 445 HA LYS 55 HA LYS 55 -7.483 6.283 6.605 446 HB2 LYS 55 2HB LYS 55 -9.013 3.952 5.507 447 HB3 LYS 55 3HB LYS 55 -7.342 3.736 6.013 448 HG2 LYS 55 2HG LYS 55 -8.578 3.139 7.886 449 HG3 LYS 55 3HG LYS 55 -8.074 4.796 8.226 450 HD2 LYS 55 2HD LYS 55 -10.184 5.570 8.189 451 HD3 LYS 55 3HD LYS 55 -10.626 4.576 6.798 452 HE2 LYS 55 2HE LYS 55 -11.945 3.750 8.543 453 HE3 LYS 55 3HE LYS 55 -10.606 2.609 8.433 454 HZ1 LYS 55 3HZ LYS 55 -10.153 3.008 10.547 455 HZ2 LYS 55 1HZ LYS 55 -11.416 4.130 10.643 456 HZ3 LYS 55 2HZ LYS 55 -9.865 4.639 10.201 457 H ARG 56 H ARG 56 -7.460 7.687 4.163 458 HA ARG 56 HA ARG 56 -6.358 6.474 1.963 459 HB2 ARG 56 2HB ARG 56 -5.003 8.750 1.842 460 HB3 ARG 56 3HB ARG 56 -6.741 8.697 1.576 461 HG2 ARG 56 2HG ARG 56 -5.983 9.055 4.375 462 HG3 ARG 56 3HG ARG 56 -5.460 10.361 3.310 463 HD2 ARG 56 2HD ARG 56 -8.000 9.976 2.447 464 HD3 ARG 56 3HD ARG 56 -8.163 9.568 4.154 465 HE ARG 56 HE ARG 56 -6.749 11.955 4.008 466 HH11 ARG 56 1HH1 ARG 56 -9.915 10.753 3.200 467 HH12 ARG 56 2HH1 ARG 56 -10.698 12.280 3.437 468 HH21 ARG 56 1HH2 ARG 56 -7.769 13.971 4.324 469 HH22 ARG 56 2HH2 ARG 56 -9.477 14.110 4.075 470 H LEU 57 H LEU 57 -4.218 8.362 4.062 471 HA LEU 57 HA LEU 57 -1.911 6.931 3.331 472 HB2 LEU 57 2HB LEU 57 -2.174 9.277 4.386 473 HB3 LEU 57 3HB LEU 57 -2.157 8.413 5.923 474 HG LEU 57 HG LEU 57 0.065 8.110 3.924 475 HD11 LEU 57 1HD1 LEU 57 -0.631 10.490 5.327 476 HD12 LEU 57 2HD1 LEU 57 0.758 10.182 4.285 477 HD13 LEU 57 3HD1 LEU 57 0.857 9.836 6.012 478 HD21 LEU 57 3HD2 LEU 57 0.483 6.515 5.469 479 HD22 LEU 57 1HD2 LEU 57 -0.476 7.315 6.715 480 HD23 LEU 57 2HD2 LEU 57 1.159 7.877 6.365 481 H LYS 58 H LYS 58 -4.174 6.560 5.989 482 HA LYS 58 HA LYS 58 -2.708 4.833 7.618 483 HB2 LYS 58 2HB LYS 58 -5.394 5.777 7.452 484 HB3 LYS 58 3HB LYS 58 -5.442 4.031 7.664 485 HG2 LYS 58 2HG LYS 58 -3.510 5.142 9.450 486 HG3 LYS 58 3HG LYS 58 -5.038 6.009 9.620 487 HD2 LYS 58 2HD LYS 58 -5.969 3.500 9.550 488 HD3 LYS 58 3HD LYS 58 -4.369 3.189 10.228 489 HE2 LYS 58 2HE LYS 58 -4.855 4.968 11.930 490 HE3 LYS 58 3HE LYS 58 -6.509 5.010 11.319 491 HZ1 LYS 58 3HZ LYS 58 -5.864 3.502 13.332 492 HZ2 LYS 58 1HZ LYS 58 -5.372 2.428 12.120 493 HZ3 LYS 58 2HZ LYS 58 -6.976 2.962 12.177 494 H ASP 59 H ASP 59 -4.317 4.274 4.599 495 HA ASP 59 HA ASP 59 -4.307 1.397 4.859 496 HB2 ASP 59 2HB ASP 59 -5.257 3.369 2.863 497 HB3 ASP 59 3HB ASP 59 -4.773 1.798 2.229 498 H TYR 60 H TYR 60 -2.083 3.792 3.956 499 HA TYR 60 HA TYR 60 -0.583 2.262 2.058 500 HB2 TYR 60 2HB TYR 60 -0.530 4.729 2.096 501 HB3 TYR 60 3HB TYR 60 0.247 4.682 3.674 502 HD1 TYR 60 HD2 TYR 60 0.768 3.110 0.315 503 HD2 TYR 60 HD1 TYR 60 2.511 5.082 3.659 504 HE1 TYR 60 HE2 TYR 60 2.969 3.007 -0.778 505 HE2 TYR 60 HE1 TYR 60 4.716 4.985 2.574 506 HH TYR 60 HH TYR 60 5.897 4.003 0.887 507 H GLN 61 H GLN 61 -0.805 2.324 5.465 508 HA GLN 61 HA GLN 61 1.847 1.304 5.964 509 HB2 GLN 61 2HB GLN 61 -0.542 1.446 7.810 510 HB3 GLN 61 3HB GLN 61 1.119 1.123 8.289 511 HG2 GLN 61 2HG GLN 61 1.155 3.535 6.846 512 HG3 GLN 61 3HG GLN 61 -0.212 3.625 7.956 513 HE21 GLN 61 1HE2 GLN 61 3.195 3.641 7.625 514 HE22 GLN 61 2HE2 GLN 61 3.582 3.884 9.291 515 H MET 62 H MET 62 -0.786 -0.040 4.593 516 HA MET 62 HA MET 62 -0.703 -2.605 5.938 517 HB2 MET 62 2HB MET 62 -2.145 -1.969 3.369 518 HB3 MET 62 3HB MET 62 -2.501 -3.247 4.523 519 HG2 MET 62 2HG MET 62 -2.787 -0.305 5.082 520 HG3 MET 62 3HG MET 62 -4.102 -1.373 4.596 521 HE1 MET 62 3HE MET 62 -5.544 -1.068 7.655 522 HE2 MET 62 1HE MET 62 -4.257 0.037 8.140 523 HE3 MET 62 2HE MET 62 -4.876 0.075 6.489 524 H SER 63 H SER 63 -0.421 -1.735 2.490 525 HA SER 63 HA SER 63 0.841 -2.599 0.805 526 HB2 SER 63 2HB SER 63 2.910 -3.366 2.854 527 HB3 SER 63 3HB SER 63 3.151 -2.820 1.194 528 HG SER 63 HG SER 63 3.594 -1.208 2.820 529 H ALA 64 H ALA 64 -0.947 -4.364 2.436 530 HA ALA 64 HA ALA 64 -0.495 -6.772 1.083 531 HB1 ALA 64 1HB ALA 64 0.034 -8.176 3.157 532 HB2 ALA 64 2HB ALA 64 1.356 -7.268 2.422 533 HB3 ALA 64 3HB ALA 64 0.575 -6.663 3.883 534 H GLY 65 H GLY 65 -2.688 -5.129 1.525 535 HA2 GLY 65 2HA GLY 65 -4.396 -6.827 3.239 536 HA3 GLY 65 3HA GLY 65 -4.646 -5.099 3.039 537 H ALA 66 H ALA 66 -5.743 -8.057 2.120 538 HA ALA 66 HA ALA 66 -6.254 -7.774 -0.628 539 HB1 ALA 66 1HB ALA 66 -8.321 -9.310 0.173 540 HB2 ALA 66 2HB ALA 66 -6.681 -9.914 -0.065 541 HB3 ALA 66 3HB ALA 66 -7.238 -9.491 1.553 542 H THR 67 H THR 67 -7.815 -6.764 -1.767 543 HA THR 67 HA THR 67 -9.896 -5.327 -0.251 544 HB THR 67 HB THR 67 -9.396 -4.009 -2.737 545 HG1 THR 67 HG1 THR 67 -7.097 -4.338 -1.080 546 HG21 THR 67 3HG2 THR 67 -10.130 -3.333 -0.207 547 HG22 THR 67 1HG2 THR 67 -9.649 -2.176 -1.448 548 HG23 THR 67 2HG2 THR 67 -8.473 -2.731 -0.256 549 H PHE 68 H PHE 68 -11.950 -5.354 -1.053 550 HA PHE 68 HA PHE 68 -12.391 -6.753 -3.602 551 HB2 PHE 68 2HB PHE 68 -12.880 -8.397 -1.946 552 HB3 PHE 68 3HB PHE 68 -13.770 -7.239 -0.963 553 HD1 PHE 68 HD1 PHE 68 -16.018 -6.538 -1.595 554 HD2 PHE 68 HD2 PHE 68 -13.892 -9.466 -3.836 555 HE1 PHE 68 HE1 PHE 68 -18.114 -7.218 -2.689 556 HE2 PHE 68 HE2 PHE 68 -15.985 -10.150 -4.934 557 HZ PHE 68 HZ PHE 68 -18.099 -9.025 -4.362 558 H HIS 69 H HIS 69 -13.318 -5.366 -4.946 559 HA HIS 69 HA HIS 69 -14.943 -3.181 -3.922 560 HB2 HIS 69 2HB HIS 69 -13.973 -3.837 -6.709 561 HB3 HIS 69 3HB HIS 69 -14.944 -2.424 -6.308 562 HD1 HIS 69 HD1 HIS 69 -13.278 -0.597 -6.707 563 HD2 HIS 69 HD2 HIS 69 -11.784 -3.607 -4.264 564 HE1 HIS 69 HE1 HIS 69 -11.068 0.257 -5.864 565 H MET 70 H MET 70 -17.096 -2.831 -4.432 566 HA MET 70 HA MET 70 -18.500 -5.055 -5.751 567 HB2 MET 70 2HB MET 70 -18.920 -5.370 -3.429 568 HB3 MET 70 3HB MET 70 -19.220 -3.655 -3.180 569 HG2 MET 70 2HG MET 70 -21.347 -3.773 -3.925 570 HG3 MET 70 3HG MET 70 -20.983 -5.032 -5.102 571 HE1 MET 70 3HE MET 70 -22.839 -5.140 -1.165 572 HE2 MET 70 1HE MET 70 -21.129 -5.203 -0.738 573 HE3 MET 70 2HE MET 70 -21.733 -3.903 -1.765 574 H VAL 71 H VAL 71 -19.893 -4.471 -7.299 575 HA VAL 71 HA VAL 71 -20.726 -1.646 -7.426 576 HB VAL 71 HB VAL 71 -19.990 -3.415 -9.763 577 HG11 VAL 71 1HG1 VAL 71 -20.341 -1.383 -11.115 578 HG12 VAL 71 2HG1 VAL 71 -21.823 -1.941 -10.337 579 HG13 VAL 71 3HG1 VAL 71 -20.949 -0.556 -9.681 580 HG21 VAL 71 3HG2 VAL 71 -18.292 -1.452 -10.039 581 HG22 VAL 71 1HG2 VAL 71 -18.570 -1.224 -8.313 582 HG23 VAL 71 2HG2 VAL 71 -17.947 -2.762 -8.911 583 H VAL 72 H VAL 72 -22.834 -1.596 -6.998 584 HA VAL 72 HA VAL 72 -24.551 -3.816 -7.790 585 HB VAL 72 HB VAL 72 -25.585 -1.374 -6.410 586 HG11 VAL 72 1HG1 VAL 72 -26.772 -3.667 -7.190 587 HG12 VAL 72 2HG1 VAL 72 -26.294 -4.099 -5.547 588 HG13 VAL 72 3HG1 VAL 72 -27.319 -2.691 -5.827 589 HG21 VAL 72 3HG2 VAL 72 -24.942 -2.378 -4.234 590 HG22 VAL 72 1HG2 VAL 72 -23.956 -3.550 -5.107 591 HG23 VAL 72 2HG2 VAL 72 -23.562 -1.833 -5.186 592 H ALA 73 H ALA 73 -25.121 -3.730 -9.882 593 HA ALA 73 HA ALA 73 -26.432 -1.273 -10.823 594 HB1 ALA 73 1HB ALA 73 -24.009 -1.748 -11.703 595 HB2 ALA 73 2HB ALA 73 -24.845 -2.885 -12.762 596 HB3 ALA 73 3HB ALA 73 -25.268 -1.173 -12.797 597 H LEU 74 H LEU 74 -28.502 -1.975 -10.785 598 HA LEU 74 HA LEU 74 -29.136 -4.326 -12.439 599 HB2 LEU 74 2HB LEU 74 -30.170 -3.572 -9.733 600 HB3 LEU 74 3HB LEU 74 -31.155 -4.536 -10.831 601 HG LEU 74 HG LEU 74 -28.904 -5.991 -10.875 602 HD11 LEU 74 1HD1 LEU 74 -28.991 -4.956 -8.053 603 HD12 LEU 74 2HD1 LEU 74 -27.843 -4.381 -9.261 604 HD13 LEU 74 3HD1 LEU 74 -27.829 -6.074 -8.767 605 HD21 LEU 74 3HD2 LEU 74 -31.418 -6.387 -10.068 606 HD22 LEU 74 1HD2 LEU 74 -30.612 -6.444 -8.500 607 HD23 LEU 74 2HD2 LEU 74 -30.128 -7.556 -9.781 608 H ARG 75 H ARG 75 -31.115 -1.928 -10.714 609 HA ARG 75 HA ARG 75 -32.815 -0.586 -11.417 610 HB2 ARG 75 2HB ARG 75 -30.808 -0.335 -13.637 611 HB3 ARG 75 3HB ARG 75 -32.349 0.508 -13.726 612 HG2 ARG 75 2HG ARG 75 -30.759 2.029 -12.850 613 HG3 ARG 75 3HG ARG 75 -31.807 1.547 -11.514 614 HD2 ARG 75 2HD ARG 75 -29.338 -0.035 -11.966 615 HD3 ARG 75 3HD ARG 75 -29.154 1.591 -11.309 616 HE ARG 75 HE ARG 75 -31.142 0.162 -9.887 617 HH11 ARG 75 1HH1 ARG 75 -27.693 0.397 -10.299 618 HH12 ARG 75 2HH1 ARG 75 -27.332 -0.180 -8.705 619 HH21 ARG 75 1HH2 ARG 75 -30.679 -0.599 -7.787 620 HH22 ARG 75 2HH2 ARG 75 -29.031 -0.747 -7.278 621 H ALA 76 H ALA 76 -34.172 -0.108 -13.640 622 HA ALA 76 HA ALA 76 -35.749 -0.915 -15.071 623 HB1 ALA 76 1HB ALA 76 -34.771 -2.061 -16.696 624 HB2 ALA 76 2HB ALA 76 -33.401 -2.388 -15.633 625 HB3 ALA 76 3HB ALA 76 -34.759 -3.511 -15.692 626 H GLY 77 H GLY 77 -37.477 -2.508 -15.263 627 HA2 GLY 77 2HA GLY 77 -38.946 -4.092 -14.442 628 HA3 GLY 77 3HA GLY 77 -37.687 -4.626 -13.337 629 H CYS 78 H CYS 78 -38.865 -1.324 -13.553 630 HA CYS 78 HA CYS 78 -39.825 0.044 -12.010 631 HB2 CYS 78 2HB CYS 78 -41.274 -2.470 -11.157 632 HB3 CYS 78 3HB CYS 78 -41.774 -0.816 -10.826 633 HG CYS 78 HG CYS 78 -43.396 -0.868 -12.816 Start of MODEL 19 1 H MET 1 H MET 1 1.616 0.164 0.944 2 HA MET 1 HA MET 1 1.992 1.197 -1.552 3 HB2 MET 1 2HB MET 1 3.743 0.292 0.044 4 HB3 MET 1 3HB MET 1 3.395 -1.303 -0.611 5 HG2 MET 1 2HG MET 1 4.981 -0.877 -2.101 6 HG3 MET 1 3HG MET 1 3.817 0.203 -2.864 7 HE1 MET 1 3HE MET 1 7.303 2.068 -3.003 8 HE2 MET 1 1HE MET 1 6.787 0.419 -3.358 9 HE3 MET 1 2HE MET 1 5.848 1.786 -3.959 10 H LEU 2 H LEU 2 1.791 -2.328 -1.042 11 HA LEU 2 HA LEU 2 0.627 -2.557 -3.732 12 HB2 LEU 2 2HB LEU 2 2.617 -3.799 -3.636 13 HB3 LEU 2 3HB LEU 2 2.237 -4.439 -2.039 14 HG LEU 2 HG LEU 2 0.437 -5.184 -4.281 15 HD11 LEU 2 1HD1 LEU 2 2.048 -6.028 -5.551 16 HD12 LEU 2 2HD1 LEU 2 2.415 -7.151 -4.242 17 HD13 LEU 2 3HD1 LEU 2 3.282 -5.619 -4.359 18 HD21 LEU 2 3HD2 LEU 2 -0.226 -6.127 -2.280 19 HD22 LEU 2 1HD2 LEU 2 1.430 -6.367 -1.722 20 HD23 LEU 2 2HD2 LEU 2 0.762 -7.411 -2.977 21 H LEU 3 H LEU 3 -1.431 -3.137 -3.935 22 HA LEU 3 HA LEU 3 -2.695 -4.730 -1.828 23 HB2 LEU 3 2HB LEU 3 -4.504 -3.302 -1.536 24 HB3 LEU 3 3HB LEU 3 -3.112 -2.222 -1.566 25 HG LEU 3 HG LEU 3 -4.952 -2.707 -3.906 26 HD11 LEU 3 1HD1 LEU 3 -5.539 -1.309 -1.598 27 HD12 LEU 3 2HD1 LEU 3 -6.324 -1.120 -3.165 28 HD13 LEU 3 3HD1 LEU 3 -4.985 -0.063 -2.717 29 HD21 LEU 3 3HD2 LEU 3 -2.832 -2.027 -4.705 30 HD22 LEU 3 1HD2 LEU 3 -2.653 -0.828 -3.424 31 HD23 LEU 3 2HD2 LEU 3 -3.843 -0.581 -4.702 32 H LYS 4 H LYS 4 -4.447 -5.991 -2.510 33 HA LYS 4 HA LYS 4 -4.674 -6.255 -5.434 34 HB2 LYS 4 2HB LYS 4 -3.762 -8.255 -4.509 35 HB3 LYS 4 3HB LYS 4 -4.957 -8.283 -3.220 36 HG2 LYS 4 2HG LYS 4 -6.713 -8.758 -4.832 37 HG3 LYS 4 3HG LYS 4 -5.539 -8.684 -6.148 38 HD2 LYS 4 2HD LYS 4 -5.026 -10.824 -5.835 39 HD3 LYS 4 3HD LYS 4 -4.574 -10.489 -4.162 40 HE2 LYS 4 2HE LYS 4 -6.828 -10.846 -3.421 41 HE3 LYS 4 3HE LYS 4 -7.403 -10.974 -5.083 42 HZ1 LYS 4 3HZ LYS 4 -7.194 -13.152 -4.129 43 HZ2 LYS 4 1HZ LYS 4 -5.584 -12.867 -3.696 44 HZ3 LYS 4 2HZ LYS 4 -6.015 -12.970 -5.328 45 H VAL 5 H VAL 5 -6.472 -5.351 -6.183 46 HA VAL 5 HA VAL 5 -8.889 -5.371 -4.518 47 HB VAL 5 HB VAL 5 -9.760 -3.656 -6.052 48 HG11 VAL 5 1HG1 VAL 5 -7.081 -2.605 -5.344 49 HG12 VAL 5 2HG1 VAL 5 -8.684 -1.949 -5.006 50 HG13 VAL 5 3HG1 VAL 5 -8.055 -3.285 -4.041 51 HG21 VAL 5 3HG2 VAL 5 -7.522 -2.757 -7.426 52 HG22 VAL 5 1HG2 VAL 5 -7.494 -4.507 -7.641 53 HG23 VAL 5 2HG2 VAL 5 -8.919 -3.583 -8.116 54 H LYS 6 H LYS 6 -10.548 -6.650 -5.000 55 HA LYS 6 HA LYS 6 -10.748 -7.734 -7.730 56 HB2 LYS 6 2HB LYS 6 -11.581 -9.861 -6.701 57 HB3 LYS 6 3HB LYS 6 -9.885 -9.518 -6.384 58 HG2 LYS 6 2HG LYS 6 -11.208 -8.355 -4.251 59 HG3 LYS 6 3HG LYS 6 -12.087 -9.859 -4.537 60 HD2 LYS 6 2HD LYS 6 -9.623 -10.827 -4.706 61 HD3 LYS 6 3HD LYS 6 -9.271 -9.428 -3.688 62 HE2 LYS 6 2HE LYS 6 -10.492 -10.231 -1.928 63 HE3 LYS 6 3HE LYS 6 -11.586 -11.147 -2.963 64 HZ1 LYS 6 3HZ LYS 6 -8.921 -12.130 -3.137 65 HZ2 LYS 6 1HZ LYS 6 -10.343 -12.953 -2.734 66 HZ3 LYS 6 2HZ LYS 6 -9.466 -12.142 -1.536 67 H THR 7 H THR 7 -12.613 -7.234 -8.654 68 HA THR 7 HA THR 7 -14.805 -6.211 -7.055 69 HB THR 7 HB THR 7 -15.159 -6.576 -9.976 70 HG1 THR 7 HG1 THR 7 -13.792 -4.757 -10.381 71 HG21 THR 7 3HG2 THR 7 -15.568 -3.926 -9.216 72 HG22 THR 7 1HG2 THR 7 -16.119 -4.878 -7.839 73 HG23 THR 7 2HG2 THR 7 -16.804 -5.164 -9.439 74 H VAL 8 H VAL 8 -17.067 -6.908 -7.652 75 HA VAL 8 HA VAL 8 -17.377 -9.664 -7.114 76 HB VAL 8 HB VAL 8 -19.033 -7.929 -6.468 77 HG11 VAL 8 1HG1 VAL 8 -19.036 -6.595 -8.486 78 HG12 VAL 8 2HG1 VAL 8 -19.693 -7.946 -9.412 79 HG13 VAL 8 3HG1 VAL 8 -20.667 -7.178 -8.157 80 HG21 VAL 8 3HG2 VAL 8 -20.843 -9.366 -6.563 81 HG22 VAL 8 1HG2 VAL 8 -20.455 -9.913 -8.194 82 HG23 VAL 8 2HG2 VAL 8 -19.490 -10.466 -6.825 83 H SER 9 H SER 9 -16.750 -8.029 -9.995 84 HA SER 9 HA SER 9 -18.100 -9.947 -11.711 85 HB2 SER 9 2HB SER 9 -16.734 -7.348 -12.079 86 HB3 SER 9 3HB SER 9 -16.587 -8.485 -13.419 87 HG SER 9 HG SER 9 -18.834 -8.588 -13.524 88 H ASN 10 H ASN 10 -15.630 -10.393 -9.851 89 HA ASN 10 HA ASN 10 -13.881 -11.851 -9.835 90 HB2 ASN 10 2HB ASN 10 -15.586 -12.879 -11.757 91 HB3 ASN 10 3HB ASN 10 -14.046 -12.766 -12.605 92 HD21 ASN 10 1HD2 ASN 10 -12.645 -14.354 -12.335 93 HD22 ASN 10 2HD2 ASN 10 -12.707 -15.553 -11.092 94 H LYS 11 H LYS 11 -13.530 -9.123 -10.613 95 HA LYS 11 HA LYS 11 -11.318 -9.316 -12.543 96 HB2 LYS 11 2HB LYS 11 -13.046 -6.996 -11.694 97 HB3 LYS 11 3HB LYS 11 -11.557 -6.778 -12.603 98 HG2 LYS 11 2HG LYS 11 -12.516 -8.303 -14.350 99 HG3 LYS 11 3HG LYS 11 -14.046 -8.222 -13.473 100 HD2 LYS 11 2HD LYS 11 -13.795 -5.675 -13.665 101 HD3 LYS 11 3HD LYS 11 -12.568 -6.021 -14.886 102 HE2 LYS 11 2HE LYS 11 -15.421 -6.999 -14.956 103 HE3 LYS 11 3HE LYS 11 -14.799 -5.620 -15.860 104 HZ1 LYS 11 3HZ LYS 11 -14.226 -8.486 -16.237 105 HZ2 LYS 11 1HZ LYS 11 -13.124 -7.320 -16.774 106 HZ3 LYS 11 2HZ LYS 11 -14.702 -7.335 -17.382 107 H VAL 12 H VAL 12 -9.748 -10.048 -11.089 108 HA VAL 12 HA VAL 12 -9.139 -8.386 -8.767 109 HB VAL 12 HB VAL 12 -7.769 -10.922 -9.670 110 HG11 VAL 12 1HG1 VAL 12 -7.601 -9.217 -7.213 111 HG12 VAL 12 2HG1 VAL 12 -7.205 -10.936 -7.153 112 HG13 VAL 12 3HG1 VAL 12 -6.300 -9.858 -8.216 113 HG21 VAL 12 3HG2 VAL 12 -9.280 -11.424 -7.374 114 HG22 VAL 12 1HG2 VAL 12 -10.345 -10.517 -8.448 115 HG23 VAL 12 2HG2 VAL 12 -9.593 -12.011 -9.007 116 H ILE 13 H ILE 13 -7.440 -7.037 -8.633 117 HA ILE 13 HA ILE 13 -5.406 -7.115 -10.750 118 HB ILE 13 HB ILE 13 -6.781 -4.602 -9.794 119 HG12 ILE 13 2HG1 ILE 13 -8.152 -5.954 -11.341 120 HG13 ILE 13 3HG1 ILE 13 -7.644 -4.435 -12.071 121 HG21 ILE 13 1HG2 ILE 13 -5.367 -3.813 -11.920 122 HG22 ILE 13 2HG2 ILE 13 -4.732 -3.767 -10.276 123 HG23 ILE 13 3HG2 ILE 13 -4.315 -5.106 -11.344 124 HD11 ILE 13 3HD1 ILE 13 -7.246 -7.097 -12.995 125 HD12 ILE 13 1HD1 ILE 13 -6.849 -5.572 -13.787 126 HD13 ILE 13 2HD1 ILE 13 -5.679 -6.340 -12.714 127 H GLN 14 H GLN 14 -3.494 -7.367 -9.819 128 HA GLN 14 HA GLN 14 -3.079 -6.329 -7.106 129 HB2 GLN 14 2HB GLN 14 -1.086 -7.849 -7.102 130 HB3 GLN 14 3HB GLN 14 -2.632 -8.674 -7.257 131 HG2 GLN 14 2HG GLN 14 -1.568 -8.039 -9.850 132 HG3 GLN 14 3HG GLN 14 -0.388 -8.934 -8.893 133 HE21 GLN 14 1HE2 GLN 14 -2.623 -9.359 -11.132 134 HE22 GLN 14 2HE2 GLN 14 -3.217 -10.928 -10.720 135 H ILE 15 H ILE 15 -2.138 -4.406 -7.007 136 HA ILE 15 HA ILE 15 -0.015 -3.783 -8.954 137 HB ILE 15 HB ILE 15 -0.591 -1.399 -8.685 138 HG12 ILE 15 2HG1 ILE 15 -1.768 -1.967 -6.399 139 HG13 ILE 15 3HG1 ILE 15 -2.334 -0.622 -7.383 140 HG21 ILE 15 1HG2 ILE 15 -1.498 -2.319 -10.613 141 HG22 ILE 15 2HG2 ILE 15 -2.628 -3.333 -9.717 142 HG23 ILE 15 3HG2 ILE 15 -2.900 -1.594 -9.826 143 HD11 ILE 15 3HD1 ILE 15 -4.270 -1.670 -7.943 144 HD12 ILE 15 1HD1 ILE 15 -3.566 -3.282 -7.823 145 HD13 ILE 15 2HD1 ILE 15 -3.989 -2.393 -6.359 146 H THR 16 H THR 16 1.756 -2.531 -8.204 147 HA THR 16 HA THR 16 2.066 -2.474 -5.274 148 HB THR 16 HB THR 16 3.390 -4.325 -6.070 149 HG1 THR 16 HG1 THR 16 5.324 -2.299 -5.763 150 HG21 THR 16 3HG2 THR 16 4.014 -2.468 -8.247 151 HG22 THR 16 1HG2 THR 16 4.008 -4.231 -8.230 152 HG23 THR 16 2HG2 THR 16 5.414 -3.348 -7.633 153 H SER 17 H SER 17 1.176 -0.228 -6.193 154 HA SER 17 HA SER 17 3.257 1.642 -5.757 155 HB2 SER 17 2HB SER 17 3.959 1.335 -7.993 156 HB3 SER 17 3HB SER 17 2.301 1.253 -8.590 157 HG SER 17 HG SER 17 3.815 3.488 -7.825 158 H LEU 18 H LEU 18 1.493 1.951 -4.179 159 HA LEU 18 HA LEU 18 -0.752 3.510 -5.263 160 HB2 LEU 18 2HB LEU 18 -0.550 1.520 -3.224 161 HB3 LEU 18 3HB LEU 18 -1.100 3.030 -2.500 162 HG LEU 18 HG LEU 18 -2.919 1.462 -3.198 163 HD11 LEU 18 1HD1 LEU 18 -2.730 4.242 -3.450 164 HD12 LEU 18 2HD1 LEU 18 -4.195 3.273 -3.291 165 HD13 LEU 18 3HD1 LEU 18 -3.580 3.685 -4.891 166 HD21 LEU 18 3HD2 LEU 18 -3.447 1.196 -5.517 167 HD22 LEU 18 1HD2 LEU 18 -1.773 0.696 -5.276 168 HD23 LEU 18 2HD2 LEU 18 -2.128 2.267 -5.993 169 H THR 19 H THR 19 -1.363 5.474 -4.230 170 HA THR 19 HA THR 19 0.904 7.034 -3.373 171 HB THR 19 HB THR 19 -1.775 8.252 -3.165 172 HG1 THR 19 HG1 THR 19 -2.256 7.072 -4.962 173 HG21 THR 19 3HG2 THR 19 -0.423 10.019 -3.319 174 HG22 THR 19 1HG2 THR 19 -0.151 9.597 -5.009 175 HG23 THR 19 2HG2 THR 19 0.945 8.999 -3.763 176 H ASP 20 H ASP 20 0.318 8.714 -1.530 177 HA ASP 20 HA ASP 20 -0.715 7.177 0.763 178 HB2 ASP 20 2HB ASP 20 0.982 8.805 2.015 179 HB3 ASP 20 3HB ASP 20 1.496 7.255 1.356 180 H ASP 21 H ASP 21 -1.561 9.532 -1.188 181 HA ASP 21 HA ASP 21 -2.358 11.475 0.849 182 HB2 ASP 21 2HB ASP 21 -1.714 11.621 -1.949 183 HB3 ASP 21 3HB ASP 21 -3.336 12.255 -1.684 184 H ASN 22 H ASN 22 -3.817 9.522 -1.743 185 HA ASN 22 HA ASN 22 -6.392 9.734 -0.325 186 HB2 ASN 22 2HB ASN 22 -5.735 9.657 -3.252 187 HB3 ASN 22 3HB ASN 22 -7.302 9.087 -2.688 188 HD21 ASN 22 1HD2 ASN 22 -5.941 11.604 -4.063 189 HD22 ASN 22 2HD2 ASN 22 -6.856 12.902 -3.382 190 H THR 23 H THR 23 -4.303 7.604 -2.230 191 HA THR 23 HA THR 23 -4.066 5.340 -2.283 192 HB THR 23 HB THR 23 -5.408 5.541 0.418 193 HG1 THR 23 HG1 THR 23 -2.676 5.077 -0.243 194 HG21 THR 23 3HG2 THR 23 -4.237 3.201 -1.051 195 HG22 THR 23 1HG2 THR 23 -5.769 3.312 -0.185 196 HG23 THR 23 2HG2 THR 23 -4.251 3.255 0.711 197 H ILE 24 H ILE 24 -7.070 5.263 -0.428 198 HA ILE 24 HA ILE 24 -8.279 3.426 -2.231 199 HB ILE 24 HB ILE 24 -9.573 5.045 -0.033 200 HG12 ILE 24 2HG1 ILE 24 -9.378 2.535 0.947 201 HG13 ILE 24 3HG1 ILE 24 -7.933 2.577 -0.058 202 HG21 ILE 24 1HG2 ILE 24 -11.502 4.141 -0.648 203 HG22 ILE 24 2HG2 ILE 24 -10.701 3.383 -2.023 204 HG23 ILE 24 3HG2 ILE 24 -10.813 2.525 -0.487 205 HD11 ILE 24 3HD1 ILE 24 -6.850 3.831 1.413 206 HD12 ILE 24 1HD1 ILE 24 -8.192 4.968 1.545 207 HD13 ILE 24 2HD1 ILE 24 -8.175 3.504 2.530 208 H ALA 25 H ALA 25 -8.936 6.844 -1.478 209 HA ALA 25 HA ALA 25 -11.029 7.228 -3.283 210 HB1 ALA 25 1HB ALA 25 -9.737 8.786 -1.447 211 HB2 ALA 25 2HB ALA 25 -9.275 9.544 -2.971 212 HB3 ALA 25 3HB ALA 25 -10.980 9.347 -2.566 213 H GLU 26 H GLU 26 -7.534 7.461 -3.736 214 HA GLU 26 HA GLU 26 -7.648 8.502 -6.376 215 HB2 GLU 26 2HB GLU 26 -5.642 8.745 -5.027 216 HB3 GLU 26 3HB GLU 26 -5.455 7.000 -4.938 217 HG2 GLU 26 2HG GLU 26 -4.212 7.051 -6.759 218 HG3 GLU 26 3HG GLU 26 -5.584 7.677 -7.672 219 H LEU 27 H LEU 27 -7.452 5.241 -5.044 220 HA LEU 27 HA LEU 27 -7.055 3.902 -7.503 221 HB2 LEU 27 2HB LEU 27 -7.382 3.214 -4.762 222 HB3 LEU 27 3HB LEU 27 -8.493 2.233 -5.716 223 HG LEU 27 HG LEU 27 -5.493 2.368 -5.988 224 HD11 LEU 27 1HD1 LEU 27 -5.644 -0.023 -5.403 225 HD12 LEU 27 2HD1 LEU 27 -7.375 0.173 -5.134 226 HD13 LEU 27 3HD1 LEU 27 -6.221 1.033 -4.114 227 HD21 LEU 27 3HD2 LEU 27 -6.237 2.129 -8.192 228 HD22 LEU 27 1HD2 LEU 27 -7.591 1.102 -7.720 229 HD23 LEU 27 2HD2 LEU 27 -5.944 0.475 -7.651 230 H LYS 28 H LYS 28 -9.985 4.489 -5.572 231 HA LYS 28 HA LYS 28 -11.770 3.244 -7.369 232 HB2 LYS 28 2HB LYS 28 -13.532 4.360 -6.117 233 HB3 LYS 28 3HB LYS 28 -12.324 3.714 -5.014 234 HG2 LYS 28 2HG LYS 28 -11.321 5.982 -4.876 235 HG3 LYS 28 3HG LYS 28 -12.662 6.585 -5.853 236 HD2 LYS 28 2HD LYS 28 -12.952 5.173 -3.201 237 HD3 LYS 28 3HD LYS 28 -13.000 6.923 -3.424 238 HE2 LYS 28 2HE LYS 28 -14.915 4.887 -4.553 239 HE3 LYS 28 3HE LYS 28 -15.252 6.088 -3.307 240 HZ1 LYS 28 3HZ LYS 28 -14.612 6.636 -6.154 241 HZ2 LYS 28 1HZ LYS 28 -14.820 7.825 -4.969 242 HZ3 LYS 28 2HZ LYS 28 -16.116 6.830 -5.405 243 H GLY 29 H GLY 29 -10.644 6.579 -7.046 244 HA2 GLY 29 2HA GLY 29 -12.403 7.691 -8.972 245 HA3 GLY 29 3HA GLY 29 -10.905 8.415 -8.404 246 H LYS 30 H LYS 30 -9.248 6.169 -9.215 247 HA LYS 30 HA LYS 30 -8.815 6.963 -11.936 248 HB2 LYS 30 2HB LYS 30 -7.462 5.036 -10.067 249 HB3 LYS 30 3HB LYS 30 -7.024 5.102 -11.769 250 HG2 LYS 30 2HG LYS 30 -7.077 7.741 -10.603 251 HG3 LYS 30 3HG LYS 30 -6.001 6.661 -9.714 252 HD2 LYS 30 2HD LYS 30 -4.882 6.067 -11.821 253 HD3 LYS 30 3HD LYS 30 -5.942 7.181 -12.687 254 HE2 LYS 30 2HE LYS 30 -4.997 9.061 -11.628 255 HE3 LYS 30 3HE LYS 30 -4.206 8.072 -10.402 256 HZ1 LYS 30 3HZ LYS 30 -2.493 7.604 -11.760 257 HZ2 LYS 30 1HZ LYS 30 -2.965 9.022 -12.553 258 HZ3 LYS 30 2HZ LYS 30 -3.453 7.517 -13.150 259 H LEU 31 H LEU 31 -10.119 4.137 -10.302 260 HA LEU 31 HA LEU 31 -10.237 2.470 -12.598 261 HB2 LEU 31 2HB LEU 31 -10.400 1.880 -10.076 262 HB3 LEU 31 3HB LEU 31 -12.117 2.218 -10.284 263 HG LEU 31 HG LEU 31 -10.634 0.188 -11.941 264 HD11 LEU 31 1HD1 LEU 31 -12.419 -0.877 -9.923 265 HD12 LEU 31 2HD1 LEU 31 -11.062 -0.001 -9.216 266 HD13 LEU 31 3HD1 LEU 31 -10.766 -1.337 -10.328 267 HD21 LEU 31 3HD2 LEU 31 -12.542 0.245 -13.089 268 HD22 LEU 31 1HD2 LEU 31 -13.331 1.250 -11.874 269 HD23 LEU 31 2HD2 LEU 31 -13.301 -0.503 -11.684 270 H GLU 32 H GLU 32 -12.598 4.577 -10.997 271 HA GLU 32 HA GLU 32 -14.746 3.961 -12.744 272 HB2 GLU 32 2HB GLU 32 -15.796 6.003 -11.802 273 HB3 GLU 32 3HB GLU 32 -15.197 4.903 -10.569 274 HG2 GLU 32 2HG GLU 32 -14.423 6.852 -9.719 275 HG3 GLU 32 3HG GLU 32 -13.055 6.441 -10.752 276 H GLU 33 H GLU 33 -12.280 6.489 -12.722 277 HA GLU 33 HA GLU 33 -13.339 7.962 -14.903 278 HB2 GLU 33 2HB GLU 33 -11.630 8.729 -13.156 279 HB3 GLU 33 3HB GLU 33 -10.431 7.879 -14.122 280 HG2 GLU 33 2HG GLU 33 -10.321 10.120 -14.797 281 HG3 GLU 33 3HG GLU 33 -11.197 9.282 -16.076 282 H SER 34 H SER 34 -11.098 5.271 -14.646 283 HA SER 34 HA SER 34 -10.111 5.330 -17.284 284 HB2 SER 34 2HB SER 34 -9.263 3.138 -16.862 285 HB3 SER 34 3HB SER 34 -9.173 4.008 -15.330 286 HG SER 34 HG SER 34 -10.741 2.791 -14.523 287 H GLU 35 H GLU 35 -12.865 3.638 -15.829 288 HA GLU 35 HA GLU 35 -13.628 2.413 -18.320 289 HB2 GLU 35 2HB GLU 35 -14.805 2.512 -15.562 290 HB3 GLU 35 3HB GLU 35 -15.762 1.912 -16.909 291 HG2 GLU 35 2HG GLU 35 -13.040 0.796 -16.492 292 HG3 GLU 35 3HG GLU 35 -14.339 0.295 -15.411 293 H GLY 36 H GLY 36 -13.918 5.491 -17.089 294 HA2 GLY 36 2HA GLY 36 -14.921 7.288 -18.225 295 HA3 GLY 36 3HA GLY 36 -15.952 6.147 -19.076 296 H ILE 37 H ILE 37 -17.025 4.752 -16.914 297 HA ILE 37 HA ILE 37 -18.339 6.798 -15.279 298 HB ILE 37 HB ILE 37 -20.531 5.557 -15.665 299 HG12 ILE 37 2HG1 ILE 37 -19.405 4.754 -18.314 300 HG13 ILE 37 3HG1 ILE 37 -19.127 3.703 -16.930 301 HG21 ILE 37 1HG2 ILE 37 -19.799 7.812 -16.615 302 HG22 ILE 37 2HG2 ILE 37 -19.522 6.947 -18.125 303 HG23 ILE 37 3HG2 ILE 37 -21.136 6.989 -17.417 304 HD11 ILE 37 3HD1 ILE 37 -21.043 2.837 -17.883 305 HD12 ILE 37 1HD1 ILE 37 -21.674 3.856 -16.589 306 HD13 ILE 37 2HD1 ILE 37 -21.700 4.431 -18.257 307 HA PRO 38 HA PRO 38 -17.950 3.906 -11.998 308 HB2 PRO 38 2HB PRO 38 -20.139 4.496 -10.506 309 HB3 PRO 38 3HB PRO 38 -18.730 5.558 -10.606 310 HG2 PRO 38 2HG PRO 38 -21.341 5.732 -12.060 311 HG3 PRO 38 3HG PRO 38 -20.395 7.026 -11.301 312 HD2 PRO 38 2HD PRO 38 -20.361 6.570 -13.970 313 HD3 PRO 38 3HD PRO 38 -18.950 7.190 -13.089 314 H GLY 39 H GLY 39 -18.501 1.836 -11.521 315 HA2 GLY 39 2HA GLY 39 -20.149 0.352 -13.193 316 HA3 GLY 39 3HA GLY 39 -19.604 -0.175 -11.608 317 H ASN 40 H ASN 40 -20.864 1.526 -9.909 318 HA ASN 40 HA ASN 40 -23.516 2.156 -10.345 319 HB2 ASN 40 2HB ASN 40 -23.154 -0.652 -10.336 320 HB3 ASN 40 3HB ASN 40 -23.948 -0.237 -8.819 321 HD21 ASN 40 1HD2 ASN 40 -25.978 0.765 -8.871 322 HD22 ASN 40 2HD2 ASN 40 -26.985 0.691 -10.273 323 H MET 41 H MET 41 -21.932 0.176 -7.831 324 HA MET 41 HA MET 41 -22.669 2.235 -5.869 325 HB2 MET 41 2HB MET 41 -23.564 0.125 -5.241 326 HB3 MET 41 3HB MET 41 -22.050 -0.701 -5.587 327 HG2 MET 41 2HG MET 41 -22.026 -0.616 -3.297 328 HG3 MET 41 3HG MET 41 -21.092 0.818 -3.718 329 HE1 MET 41 3HE MET 41 -22.338 3.155 -4.132 330 HE2 MET 41 1HE MET 41 -23.214 3.764 -2.727 331 HE3 MET 41 2HE MET 41 -21.591 3.102 -2.535 332 H ILE 42 H ILE 42 -19.977 0.202 -6.943 333 HA ILE 42 HA ILE 42 -17.723 0.369 -6.667 334 HB ILE 42 HB ILE 42 -18.088 3.314 -6.193 335 HG12 ILE 42 2HG1 ILE 42 -17.808 3.131 -8.895 336 HG13 ILE 42 3HG1 ILE 42 -18.813 1.723 -8.572 337 HG21 ILE 42 1HG2 ILE 42 -15.856 3.093 -6.208 338 HG22 ILE 42 2HG2 ILE 42 -15.918 1.515 -6.992 339 HG23 ILE 42 3HG2 ILE 42 -16.046 2.984 -7.958 340 HD11 ILE 42 3HD1 ILE 42 -20.552 3.088 -8.628 341 HD12 ILE 42 1HD1 ILE 42 -19.983 3.760 -7.101 342 HD13 ILE 42 2HD1 ILE 42 -19.516 4.515 -8.625 343 H ARG 43 H ARG 43 -18.775 -0.563 -4.432 344 HA ARG 43 HA ARG 43 -17.388 0.916 -2.293 345 HB2 ARG 43 2HB ARG 43 -20.067 -0.417 -2.304 346 HB3 ARG 43 3HB ARG 43 -19.141 -0.365 -0.810 347 HG2 ARG 43 2HG ARG 43 -19.885 2.054 -2.441 348 HG3 ARG 43 3HG ARG 43 -20.775 1.475 -1.032 349 HD2 ARG 43 2HD ARG 43 -18.591 1.666 0.244 350 HD3 ARG 43 3HD ARG 43 -17.969 2.550 -1.149 351 HE ARG 43 HE ARG 43 -20.441 3.588 -0.094 352 HH11 ARG 43 1HH1 ARG 43 -16.966 3.678 0.088 353 HH12 ARG 43 2HH1 ARG 43 -16.913 5.265 0.781 354 HH21 ARG 43 1HH2 ARG 43 -20.385 5.678 0.818 355 HH22 ARG 43 2HH2 ARG 43 -18.859 6.401 1.197 356 H LEU 44 H LEU 44 -15.694 -0.158 -1.547 357 HA LEU 44 HA LEU 44 -15.633 -3.083 -1.823 358 HB2 LEU 44 2HB LEU 44 -13.191 -2.857 -1.562 359 HB3 LEU 44 3HB LEU 44 -13.826 -1.995 -2.961 360 HG LEU 44 HG LEU 44 -13.688 -0.225 -0.703 361 HD11 LEU 44 1HD1 LEU 44 -11.486 -0.300 -0.049 362 HD12 LEU 44 2HD1 LEU 44 -10.974 -1.186 -1.485 363 HD13 LEU 44 3HD1 LEU 44 -11.856 -2.017 -0.203 364 HD21 LEU 44 3HD2 LEU 44 -11.802 0.114 -2.922 365 HD22 LEU 44 1HD2 LEU 44 -13.034 1.211 -2.297 366 HD23 LEU 44 2HD2 LEU 44 -13.485 -0.079 -3.413 367 H VAL 45 H VAL 45 -14.722 -4.349 -0.093 368 HA VAL 45 HA VAL 45 -15.134 -3.106 2.548 369 HB VAL 45 HB VAL 45 -15.440 -6.030 1.859 370 HG11 VAL 45 1HG1 VAL 45 -16.317 -6.307 4.046 371 HG12 VAL 45 2HG1 VAL 45 -14.815 -5.396 4.218 372 HG13 VAL 45 3HG1 VAL 45 -16.368 -4.566 4.319 373 HG21 VAL 45 3HG2 VAL 45 -17.930 -5.193 2.514 374 HG22 VAL 45 1HG2 VAL 45 -17.310 -3.768 1.678 375 HG23 VAL 45 2HG2 VAL 45 -17.334 -5.330 0.860 376 H TYR 46 H TYR 46 -13.342 -2.845 3.688 377 HA TYR 46 HA TYR 46 -11.011 -4.521 3.087 378 HB2 TYR 46 2HB TYR 46 -11.201 -1.807 3.334 379 HB3 TYR 46 3HB TYR 46 -10.668 -2.265 4.947 380 HD1 TYR 46 HD1 TYR 46 -8.904 -4.550 4.373 381 HD2 TYR 46 HD2 TYR 46 -9.333 -0.840 2.333 382 HE1 TYR 46 HE1 TYR 46 -6.591 -4.736 3.559 383 HE2 TYR 46 HE2 TYR 46 -7.022 -1.018 1.512 384 HH TYR 46 HH TYR 46 -5.223 -2.333 1.344 385 H GLN 47 H GLN 47 -10.678 -6.204 4.366 386 HA GLN 47 HA GLN 47 -10.645 -7.579 6.178 387 HB2 GLN 47 2HB GLN 47 -9.431 -5.231 6.920 388 HB3 GLN 47 3HB GLN 47 -10.636 -5.439 8.184 389 HG2 GLN 47 2HG GLN 47 -9.687 -7.877 8.263 390 HG3 GLN 47 3HG GLN 47 -8.279 -7.124 7.515 391 HE21 GLN 47 1HE2 GLN 47 -10.111 -7.529 10.383 392 HE22 GLN 47 2HE2 GLN 47 -9.085 -6.621 11.435 393 H GLY 48 H GLY 48 -13.218 -6.774 5.196 394 HA2 GLY 48 2HA GLY 48 -15.378 -7.337 5.835 395 HA3 GLY 48 3HA GLY 48 -14.800 -7.564 7.479 396 H LYS 49 H LYS 49 -13.706 -4.622 6.442 397 HA LYS 49 HA LYS 49 -15.932 -3.253 7.786 398 HB2 LYS 49 2HB LYS 49 -13.093 -3.040 8.003 399 HB3 LYS 49 3HB LYS 49 -13.717 -1.509 7.404 400 HG2 LYS 49 2HG LYS 49 -13.591 -1.458 9.807 401 HG3 LYS 49 3HG LYS 49 -15.281 -1.427 9.300 402 HD2 LYS 49 2HD LYS 49 -15.096 -2.941 11.140 403 HD3 LYS 49 3HD LYS 49 -15.356 -3.898 9.679 404 HE2 LYS 49 2HE LYS 49 -13.142 -4.630 9.622 405 HE3 LYS 49 3HE LYS 49 -12.588 -3.334 10.681 406 HZ1 LYS 49 3HZ LYS 49 -14.465 -4.783 12.114 407 HZ2 LYS 49 1HZ LYS 49 -12.792 -4.737 12.363 408 HZ3 LYS 49 2HZ LYS 49 -13.467 -5.927 11.369 409 H GLN 50 H GLN 50 -16.549 -1.120 6.982 410 HA GLN 50 HA GLN 50 -16.263 -0.940 4.056 411 HB2 GLN 50 2HB GLN 50 -18.573 0.156 5.652 412 HB3 GLN 50 3HB GLN 50 -18.473 -0.074 3.911 413 HG2 GLN 50 2HG GLN 50 -18.152 -2.595 4.616 414 HG3 GLN 50 3HG GLN 50 -18.997 -2.048 6.063 415 HE21 GLN 50 1HE2 GLN 50 -21.142 -1.596 5.966 416 HE22 GLN 50 2HE2 GLN 50 -22.115 -1.847 4.561 417 H LEU 51 H LEU 51 -16.398 1.243 3.147 418 HA LEU 51 HA LEU 51 -15.704 3.402 2.982 419 HB2 LEU 51 2HB LEU 51 -16.069 3.688 5.944 420 HB3 LEU 51 3HB LEU 51 -16.253 4.910 4.687 421 HG LEU 51 HG LEU 51 -18.126 2.586 5.134 422 HD11 LEU 51 1HD1 LEU 51 -19.613 4.073 6.177 423 HD12 LEU 51 2HD1 LEU 51 -18.675 5.485 5.693 424 HD13 LEU 51 3HD1 LEU 51 -18.047 4.390 6.925 425 HD21 LEU 51 3HD2 LEU 51 -18.638 5.025 3.466 426 HD22 LEU 51 1HD2 LEU 51 -19.474 3.472 3.452 427 HD23 LEU 51 2HD2 LEU 51 -17.844 3.601 2.791 428 H GLU 52 H GLU 52 -13.596 3.390 2.477 429 HA GLU 52 HA GLU 52 -11.668 3.315 4.703 430 HB2 GLU 52 2HB GLU 52 -11.215 2.244 1.913 431 HB3 GLU 52 3HB GLU 52 -10.064 2.208 3.240 432 HG2 GLU 52 2HG GLU 52 -12.733 0.878 3.479 433 HG3 GLU 52 3HG GLU 52 -11.379 0.076 2.685 434 H ASP 53 H ASP 53 -13.044 5.203 2.409 435 HA ASP 53 HA ASP 53 -10.990 6.553 1.130 436 HB2 ASP 53 2HB ASP 53 -13.726 6.838 1.300 437 HB3 ASP 53 3HB ASP 53 -13.137 8.320 2.050 438 H GLU 54 H GLU 54 -12.311 7.039 4.372 439 HA GLU 54 HA GLU 54 -10.807 9.363 4.971 440 HB2 GLU 54 2HB GLU 54 -12.777 7.811 6.248 441 HB3 GLU 54 3HB GLU 54 -11.387 7.802 7.324 442 HG2 GLU 54 2HG GLU 54 -11.368 10.181 7.442 443 HG3 GLU 54 3HG GLU 54 -12.584 10.307 6.172 444 H LYS 55 H LYS 55 -10.023 6.021 4.879 445 HA LYS 55 HA LYS 55 -7.613 6.403 6.495 446 HB2 LYS 55 2HB LYS 55 -9.088 4.001 5.473 447 HB3 LYS 55 3HB LYS 55 -7.401 3.855 5.948 448 HG2 LYS 55 2HG LYS 55 -8.567 3.251 7.859 449 HG3 LYS 55 3HG LYS 55 -8.137 4.937 8.155 450 HD2 LYS 55 2HD LYS 55 -10.282 5.605 8.152 451 HD3 LYS 55 3HD LYS 55 -10.698 4.576 6.779 452 HE2 LYS 55 2HE LYS 55 -10.504 2.639 8.484 453 HE3 LYS 55 3HE LYS 55 -10.646 3.908 9.699 454 HZ1 LYS 55 3HZ LYS 55 -12.820 3.250 9.363 455 HZ2 LYS 55 1HZ LYS 55 -12.625 3.039 7.695 456 HZ3 LYS 55 2HZ LYS 55 -12.702 4.597 8.347 457 H ARG 56 H ARG 56 -7.702 7.771 4.039 458 HA ARG 56 HA ARG 56 -6.631 6.561 1.821 459 HB2 ARG 56 2HB ARG 56 -5.351 8.874 1.629 460 HB3 ARG 56 3HB ARG 56 -7.093 8.766 1.418 461 HG2 ARG 56 2HG ARG 56 -6.260 9.185 4.187 462 HG3 ARG 56 3HG ARG 56 -5.808 10.490 3.089 463 HD2 ARG 56 2HD ARG 56 -8.360 10.025 2.309 464 HD3 ARG 56 3HD ARG 56 -8.462 9.628 4.024 465 HE ARG 56 HE ARG 56 -7.126 12.048 3.841 466 HH11 ARG 56 1HH1 ARG 56 -10.264 10.769 3.044 467 HH12 ARG 56 2HH1 ARG 56 -11.082 12.280 3.269 468 HH21 ARG 56 1HH2 ARG 56 -8.191 14.043 4.140 469 HH22 ARG 56 2HH2 ARG 56 -9.901 14.142 3.892 470 H LEU 57 H LEU 57 -4.485 8.544 3.824 471 HA LEU 57 HA LEU 57 -2.160 7.167 3.044 472 HB2 LEU 57 2HB LEU 57 -2.454 9.522 4.062 473 HB3 LEU 57 3HB LEU 57 -2.375 8.691 5.614 474 HG LEU 57 HG LEU 57 -0.199 8.420 3.559 475 HD11 LEU 57 1HD1 LEU 57 -0.858 10.844 4.510 476 HD12 LEU 57 2HD1 LEU 57 0.798 10.352 4.156 477 HD13 LEU 57 3HD1 LEU 57 0.192 10.282 5.811 478 HD21 LEU 57 3HD2 LEU 57 0.294 6.842 5.101 479 HD22 LEU 57 1HD2 LEU 57 -0.640 7.633 6.371 480 HD23 LEU 57 2HD2 LEU 57 0.971 8.224 5.964 481 H LYS 58 H LYS 58 -4.327 6.779 5.779 482 HA LYS 58 HA LYS 58 -2.761 5.125 7.390 483 HB2 LYS 58 2HB LYS 58 -5.488 5.976 7.281 484 HB3 LYS 58 3HB LYS 58 -5.457 4.239 7.554 485 HG2 LYS 58 2HG LYS 58 -3.515 5.497 9.233 486 HG3 LYS 58 3HG LYS 58 -5.077 6.295 9.428 487 HD2 LYS 58 2HD LYS 58 -6.132 4.315 10.102 488 HD3 LYS 58 3HD LYS 58 -4.830 3.303 9.472 489 HE2 LYS 58 2HE LYS 58 -3.605 3.511 11.343 490 HE3 LYS 58 3HE LYS 58 -3.982 5.225 11.514 491 HZ1 LYS 58 3HZ LYS 58 -6.329 4.166 12.131 492 HZ2 LYS 58 1HZ LYS 58 -5.126 4.464 13.283 493 HZ3 LYS 58 2HZ LYS 58 -5.323 2.908 12.650 494 H ASP 59 H ASP 59 -4.438 4.468 4.430 495 HA ASP 59 HA ASP 59 -4.347 1.597 4.739 496 HB2 ASP 59 2HB ASP 59 -5.389 3.508 2.728 497 HB3 ASP 59 3HB ASP 59 -4.892 1.932 2.119 498 H TYR 60 H TYR 60 -2.219 4.038 3.712 499 HA TYR 60 HA TYR 60 -0.723 2.494 1.822 500 HB2 TYR 60 2HB TYR 60 -0.726 4.943 1.738 501 HB3 TYR 60 3HB TYR 60 0.026 5.010 3.328 502 HD1 TYR 60 HD2 TYR 60 0.585 3.781 -0.139 503 HD2 TYR 60 HD1 TYR 60 2.354 5.011 3.530 504 HE1 TYR 60 HE2 TYR 60 2.806 3.716 -1.195 505 HE2 TYR 60 HE1 TYR 60 4.579 4.950 2.484 506 HH TYR 60 HH TYR 60 5.733 4.575 0.629 507 H GLN 61 H GLN 61 -0.798 2.756 5.248 508 HA GLN 61 HA GLN 61 1.878 1.848 5.723 509 HB2 GLN 61 2HB GLN 61 0.407 3.194 7.319 510 HB3 GLN 61 3HB GLN 61 -0.421 1.682 7.664 511 HG2 GLN 61 2HG GLN 61 2.330 1.164 7.916 512 HG3 GLN 61 3HG GLN 61 2.021 2.692 8.740 513 HE21 GLN 61 1HE2 GLN 61 2.726 0.052 9.807 514 HE22 GLN 61 2HE2 GLN 61 1.478 -0.348 10.932 515 H MET 62 H MET 62 -0.810 0.327 4.526 516 HA MET 62 HA MET 62 -0.460 -2.218 5.846 517 HB2 MET 62 2HB MET 62 -2.059 -1.708 3.344 518 HB3 MET 62 3HB MET 62 -2.280 -2.988 4.530 519 HG2 MET 62 2HG MET 62 -2.785 -0.054 4.973 520 HG3 MET 62 3HG MET 62 -4.008 -1.298 4.725 521 HE1 MET 62 3HE MET 62 -5.094 -0.460 7.675 522 HE2 MET 62 1HE MET 62 -5.354 -1.526 6.293 523 HE3 MET 62 2HE MET 62 -5.070 -2.211 7.893 524 H SER 63 H SER 63 -0.398 -1.362 2.384 525 HA SER 63 HA SER 63 0.858 -2.131 0.650 526 HB2 SER 63 2HB SER 63 2.965 -2.699 2.745 527 HB3 SER 63 3HB SER 63 3.224 -2.447 1.019 528 HG SER 63 HG SER 63 3.467 -0.617 2.701 529 H ALA 64 H ALA 64 -0.805 -3.987 2.303 530 HA ALA 64 HA ALA 64 -0.298 -6.357 0.905 531 HB1 ALA 64 1HB ALA 64 0.988 -7.654 2.212 532 HB2 ALA 64 2HB ALA 64 1.550 -6.119 2.875 533 HB3 ALA 64 3HB ALA 64 0.285 -7.027 3.703 534 H GLY 65 H GLY 65 -2.534 -4.785 1.473 535 HA2 GLY 65 2HA GLY 65 -4.114 -6.564 3.227 536 HA3 GLY 65 3HA GLY 65 -4.453 -4.853 3.011 537 H ALA 66 H ALA 66 -5.470 -7.852 2.190 538 HA ALA 66 HA ALA 66 -6.055 -7.667 -0.551 539 HB1 ALA 66 1HB ALA 66 -7.578 -9.483 -0.205 540 HB2 ALA 66 2HB ALA 66 -6.162 -9.746 0.814 541 HB3 ALA 66 3HB ALA 66 -7.661 -9.148 1.525 542 H THR 67 H THR 67 -7.670 -6.735 -1.681 543 HA THR 67 HA THR 67 -9.752 -5.309 -0.157 544 HB THR 67 HB THR 67 -9.390 -4.037 -2.674 545 HG1 THR 67 HG1 THR 67 -7.019 -4.751 -1.349 546 HG21 THR 67 3HG2 THR 67 -10.195 -3.146 -0.419 547 HG22 THR 67 1HG2 THR 67 -9.159 -2.086 -1.373 548 HG23 THR 67 2HG2 THR 67 -8.489 -2.977 -0.007 549 H PHE 68 H PHE 68 -11.825 -5.421 -0.902 550 HA PHE 68 HA PHE 68 -12.292 -6.910 -3.395 551 HB2 PHE 68 2HB PHE 68 -12.704 -8.530 -1.713 552 HB3 PHE 68 3HB PHE 68 -13.547 -7.369 -0.693 553 HD1 PHE 68 HD1 PHE 68 -15.841 -6.733 -1.164 554 HD2 PHE 68 HD2 PHE 68 -13.805 -9.595 -3.569 555 HE1 PHE 68 HE1 PHE 68 -17.989 -7.447 -2.127 556 HE2 PHE 68 HE2 PHE 68 -15.950 -10.313 -4.536 557 HZ PHE 68 HZ PHE 68 -18.046 -9.238 -3.817 558 H HIS 69 H HIS 69 -13.302 -5.598 -4.754 559 HA HIS 69 HA HIS 69 -14.957 -3.426 -3.752 560 HB2 HIS 69 2HB HIS 69 -13.962 -4.153 -6.507 561 HB3 HIS 69 3HB HIS 69 -15.085 -2.828 -6.218 562 HD1 HIS 69 HD1 HIS 69 -12.073 -3.650 -4.083 563 HD2 HIS 69 HD2 HIS 69 -13.406 -0.724 -6.714 564 HE1 HIS 69 HE1 HIS 69 -10.375 -1.800 -3.948 565 H MET 70 H MET 70 -17.133 -3.151 -4.208 566 HA MET 70 HA MET 70 -18.514 -5.461 -5.401 567 HB2 MET 70 2HB MET 70 -18.779 -5.610 -2.995 568 HB3 MET 70 3HB MET 70 -19.309 -3.935 -2.916 569 HG2 MET 70 2HG MET 70 -21.408 -4.507 -3.313 570 HG3 MET 70 3HG MET 70 -20.948 -5.423 -4.747 571 HE1 MET 70 3HE MET 70 -22.749 -5.512 -1.688 572 HE2 MET 70 1HE MET 70 -22.414 -7.023 -0.841 573 HE3 MET 70 2HE MET 70 -21.271 -5.684 -0.739 574 H VAL 71 H VAL 71 -20.027 -4.988 -6.883 575 HA VAL 71 HA VAL 71 -20.972 -2.207 -7.078 576 HB VAL 71 HB VAL 71 -20.250 -3.911 -9.463 577 HG11 VAL 71 1HG1 VAL 71 -21.810 -1.563 -9.166 578 HG12 VAL 71 2HG1 VAL 71 -20.316 -1.120 -9.996 579 HG13 VAL 71 3HG1 VAL 71 -21.346 -2.393 -10.652 580 HG21 VAL 71 3HG2 VAL 71 -18.495 -1.855 -9.530 581 HG22 VAL 71 1HG2 VAL 71 -18.621 -2.121 -7.791 582 HG23 VAL 71 2HG2 VAL 71 -18.132 -3.442 -8.851 583 H VAL 72 H VAL 72 -23.081 -2.285 -6.666 584 HA VAL 72 HA VAL 72 -24.646 -4.592 -7.571 585 HB VAL 72 HB VAL 72 -24.978 -4.092 -5.253 586 HG11 VAL 72 1HG1 VAL 72 -24.727 -1.383 -6.128 587 HG12 VAL 72 2HG1 VAL 72 -26.235 -1.569 -5.230 588 HG13 VAL 72 3HG1 VAL 72 -24.702 -2.027 -4.486 589 HG21 VAL 72 3HG2 VAL 72 -26.973 -4.559 -6.857 590 HG22 VAL 72 1HG2 VAL 72 -27.288 -4.076 -5.190 591 HG23 VAL 72 2HG2 VAL 72 -27.421 -2.893 -6.491 592 H ALA 73 H ALA 73 -25.447 -4.376 -9.557 593 HA ALA 73 HA ALA 73 -26.568 -1.761 -10.335 594 HB1 ALA 73 1HB ALA 73 -25.751 -3.819 -12.344 595 HB2 ALA 73 2HB ALA 73 -25.880 -2.068 -12.521 596 HB3 ALA 73 3HB ALA 73 -24.542 -2.766 -11.609 597 H LEU 74 H LEU 74 -28.385 -2.882 -8.990 598 HA LEU 74 HA LEU 74 -30.097 -4.364 -10.876 599 HB2 LEU 74 2HB LEU 74 -29.658 -4.723 -7.941 600 HB3 LEU 74 3HB LEU 74 -31.200 -5.176 -8.664 601 HG LEU 74 HG LEU 74 -29.766 -7.115 -8.429 602 HD11 LEU 74 1HD1 LEU 74 -31.267 -6.678 -10.492 603 HD12 LEU 74 2HD1 LEU 74 -30.116 -8.013 -10.532 604 HD13 LEU 74 3HD1 LEU 74 -29.739 -6.500 -11.355 605 HD21 LEU 74 3HD2 LEU 74 -27.825 -6.116 -10.437 606 HD22 LEU 74 1HD2 LEU 74 -27.602 -7.256 -9.110 607 HD23 LEU 74 2HD2 LEU 74 -27.668 -5.525 -8.782 608 H ARG 75 H ARG 75 -29.814 -1.454 -10.350 609 HA ARG 75 HA ARG 75 -32.512 -0.883 -9.319 610 HB2 ARG 75 2HB ARG 75 -29.938 0.447 -9.018 611 HB3 ARG 75 3HB ARG 75 -31.193 1.548 -9.571 612 HG2 ARG 75 2HG ARG 75 -31.550 1.776 -7.360 613 HG3 ARG 75 3HG ARG 75 -32.524 0.324 -7.597 614 HD2 ARG 75 2HD ARG 75 -31.224 -0.263 -5.782 615 HD3 ARG 75 3HD ARG 75 -30.296 -0.927 -7.126 616 HE ARG 75 HE ARG 75 -28.603 0.492 -6.573 617 HH11 ARG 75 1HH1 ARG 75 -31.571 1.747 -5.255 618 HH12 ARG 75 2HH1 ARG 75 -30.800 3.055 -4.420 619 HH21 ARG 75 1HH2 ARG 75 -27.576 2.210 -5.478 620 HH22 ARG 75 2HH2 ARG 75 -28.528 3.318 -4.549 621 H ALA 76 H ALA 76 -30.306 0.811 -11.544 622 HA ALA 76 HA ALA 76 -31.995 0.444 -13.814 623 HB1 ALA 76 1HB ALA 76 -33.456 2.079 -13.405 624 HB2 ALA 76 2HB ALA 76 -32.478 2.738 -12.093 625 HB3 ALA 76 3HB ALA 76 -32.135 3.193 -13.762 626 H GLY 77 H GLY 77 -31.225 1.756 -15.702 627 HA2 GLY 77 2HA GLY 77 -28.314 2.179 -15.457 628 HA3 GLY 77 3HA GLY 77 -29.119 1.622 -16.916 629 H CYS 78 H CYS 78 -30.052 4.289 -14.782 630 HA CYS 78 HA CYS 78 -29.202 6.241 -16.764 631 HB2 CYS 78 2HB CYS 78 -32.054 5.600 -16.139 632 HB3 CYS 78 3HB CYS 78 -31.616 7.274 -16.462 633 HG CYS 78 HG CYS 78 -32.534 6.512 -18.864 Start of MODEL 20 1 H MET 1 H MET 1 1.830 0.042 0.627 2 HA MET 1 HA MET 1 2.065 1.116 -1.879 3 HB2 MET 1 2HB MET 1 3.870 0.130 -0.316 4 HB3 MET 1 3HB MET 1 3.557 -1.389 -1.144 5 HG2 MET 1 2HG MET 1 4.955 -0.784 -2.739 6 HG3 MET 1 3HG MET 1 3.894 0.565 -3.139 7 HE1 MET 1 3HE MET 1 7.515 -0.301 -1.533 8 HE2 MET 1 1HE MET 1 7.338 0.735 -0.116 9 HE3 MET 1 2HE MET 1 6.212 -0.597 -0.381 10 H LEU 2 H LEU 2 1.890 -2.409 -1.353 11 HA LEU 2 HA LEU 2 0.627 -2.649 -3.997 12 HB2 LEU 2 2HB LEU 2 2.607 -3.910 -3.956 13 HB3 LEU 2 3HB LEU 2 2.275 -4.532 -2.341 14 HG LEU 2 HG LEU 2 0.394 -5.279 -4.514 15 HD11 LEU 2 1HD1 LEU 2 2.011 -6.057 -5.836 16 HD12 LEU 2 2HD1 LEU 2 2.274 -7.286 -4.599 17 HD13 LEU 2 3HD1 LEU 2 3.251 -5.817 -4.605 18 HD21 LEU 2 3HD2 LEU 2 1.334 -6.304 -1.908 19 HD22 LEU 2 1HD2 LEU 2 0.934 -7.511 -3.131 20 HD23 LEU 2 2HD2 LEU 2 -0.277 -6.330 -2.628 21 H LEU 3 H LEU 3 -1.437 -3.228 -4.133 22 HA LEU 3 HA LEU 3 -2.647 -4.779 -1.964 23 HB2 LEU 3 2HB LEU 3 -4.426 -3.332 -1.624 24 HB3 LEU 3 3HB LEU 3 -3.034 -2.256 -1.739 25 HG LEU 3 HG LEU 3 -5.008 -2.785 -3.960 26 HD11 LEU 3 1HD1 LEU 3 -4.857 -0.101 -2.837 27 HD12 LEU 3 2HD1 LEU 3 -5.442 -1.307 -1.691 28 HD13 LEU 3 3HD1 LEU 3 -6.263 -1.089 -3.236 29 HD21 LEU 3 3HD2 LEU 3 -3.895 -0.753 -4.936 30 HD22 LEU 3 1HD2 LEU 3 -2.905 -2.212 -4.902 31 HD23 LEU 3 2HD2 LEU 3 -2.642 -0.940 -3.709 32 H LYS 4 H LYS 4 -4.425 -6.039 -2.574 33 HA LYS 4 HA LYS 4 -4.749 -6.337 -5.485 34 HB2 LYS 4 2HB LYS 4 -3.813 -8.330 -4.567 35 HB3 LYS 4 3HB LYS 4 -4.966 -8.339 -3.239 36 HG2 LYS 4 2HG LYS 4 -6.760 -8.910 -4.711 37 HG3 LYS 4 3HG LYS 4 -5.730 -8.696 -6.128 38 HD2 LYS 4 2HD LYS 4 -4.918 -10.650 -4.025 39 HD3 LYS 4 3HD LYS 4 -6.201 -11.090 -5.155 40 HE2 LYS 4 2HE LYS 4 -4.788 -10.993 -6.993 41 HE3 LYS 4 3HE LYS 4 -3.619 -9.966 -6.165 42 HZ1 LYS 4 3HZ LYS 4 -2.618 -12.048 -6.231 43 HZ2 LYS 4 1HZ LYS 4 -4.049 -12.872 -5.864 44 HZ3 LYS 4 2HZ LYS 4 -3.257 -11.978 -4.667 45 H VAL 5 H VAL 5 -6.566 -5.430 -6.182 46 HA VAL 5 HA VAL 5 -8.930 -5.435 -4.440 47 HB VAL 5 HB VAL 5 -9.840 -3.714 -5.941 48 HG11 VAL 5 1HG1 VAL 5 -8.197 -3.289 -3.966 49 HG12 VAL 5 2HG1 VAL 5 -7.087 -2.788 -5.243 50 HG13 VAL 5 3HG1 VAL 5 -8.634 -1.964 -5.044 51 HG21 VAL 5 3HG2 VAL 5 -7.639 -2.833 -7.390 52 HG22 VAL 5 1HG2 VAL 5 -7.645 -4.582 -7.613 53 HG23 VAL 5 2HG2 VAL 5 -9.073 -3.635 -8.032 54 H LYS 6 H LYS 6 -10.626 -6.683 -4.882 55 HA LYS 6 HA LYS 6 -10.901 -7.780 -7.599 56 HB2 LYS 6 2HB LYS 6 -11.718 -9.897 -6.554 57 HB3 LYS 6 3HB LYS 6 -10.018 -9.561 -6.253 58 HG2 LYS 6 2HG LYS 6 -11.302 -8.388 -4.108 59 HG3 LYS 6 3HG LYS 6 -12.211 -9.876 -4.385 60 HD2 LYS 6 2HD LYS 6 -9.773 -10.894 -4.577 61 HD3 LYS 6 3HD LYS 6 -9.374 -9.498 -3.574 62 HE2 LYS 6 2HE LYS 6 -9.859 -11.045 -1.956 63 HE3 LYS 6 3HE LYS 6 -11.448 -10.315 -2.182 64 HZ1 LYS 6 3HZ LYS 6 -11.622 -12.229 -3.964 65 HZ2 LYS 6 1HZ LYS 6 -12.004 -12.493 -2.338 66 HZ3 LYS 6 2HZ LYS 6 -10.498 -12.971 -2.941 67 H THR 7 H THR 7 -12.791 -7.295 -8.481 68 HA THR 7 HA THR 7 -14.927 -6.222 -6.840 69 HB THR 7 HB THR 7 -15.399 -6.630 -9.732 70 HG1 THR 7 HG1 THR 7 -13.796 -5.379 -10.406 71 HG21 THR 7 3HG2 THR 7 -16.803 -4.916 -9.421 72 HG22 THR 7 1HG2 THR 7 -15.555 -3.935 -8.655 73 HG23 THR 7 2HG2 THR 7 -16.479 -5.092 -7.696 74 H VAL 8 H VAL 8 -17.218 -6.903 -7.404 75 HA VAL 8 HA VAL 8 -17.543 -9.642 -6.784 76 HB VAL 8 HB VAL 8 -19.173 -7.880 -6.154 77 HG11 VAL 8 1HG1 VAL 8 -20.257 -8.019 -8.944 78 HG12 VAL 8 2HG1 VAL 8 -20.594 -6.839 -7.675 79 HG13 VAL 8 3HG1 VAL 8 -19.036 -6.826 -8.502 80 HG21 VAL 8 3HG2 VAL 8 -20.503 -9.998 -7.827 81 HG22 VAL 8 1HG2 VAL 8 -19.712 -10.347 -6.289 82 HG23 VAL 8 2HG2 VAL 8 -21.093 -9.251 -6.342 83 H SER 9 H SER 9 -16.943 -8.092 -9.714 84 HA SER 9 HA SER 9 -18.340 -10.037 -11.359 85 HB2 SER 9 2HB SER 9 -16.962 -7.460 -11.811 86 HB3 SER 9 3HB SER 9 -16.829 -8.632 -13.122 87 HG SER 9 HG SER 9 -19.303 -7.966 -11.921 88 H ASN 10 H ASN 10 -15.845 -10.459 -9.526 89 HA ASN 10 HA ASN 10 -14.108 -11.931 -9.498 90 HB2 ASN 10 2HB ASN 10 -15.860 -12.999 -11.356 91 HB3 ASN 10 3HB ASN 10 -14.334 -12.933 -12.233 92 HD21 ASN 10 1HD2 ASN 10 -13.061 -14.617 -12.016 93 HD22 ASN 10 2HD2 ASN 10 -13.071 -15.740 -10.703 94 H LYS 11 H LYS 11 -13.752 -9.231 -10.378 95 HA LYS 11 HA LYS 11 -11.578 -9.509 -12.342 96 HB2 LYS 11 2HB LYS 11 -13.263 -7.143 -11.530 97 HB3 LYS 11 3HB LYS 11 -11.793 -6.974 -12.481 98 HG2 LYS 11 2HG LYS 11 -12.813 -8.547 -14.151 99 HG3 LYS 11 3HG LYS 11 -14.321 -8.410 -13.243 100 HD2 LYS 11 2HD LYS 11 -14.413 -6.041 -13.650 101 HD3 LYS 11 3HD LYS 11 -12.815 -6.066 -14.400 102 HE2 LYS 11 2HE LYS 11 -14.255 -7.958 -15.820 103 HE3 LYS 11 3HE LYS 11 -15.418 -6.664 -15.539 104 HZ1 LYS 11 3HZ LYS 11 -13.194 -6.730 -17.314 105 HZ2 LYS 11 1HZ LYS 11 -13.105 -5.392 -16.282 106 HZ3 LYS 11 2HZ LYS 11 -14.476 -5.629 -17.243 107 H VAL 12 H VAL 12 -9.982 -10.206 -10.904 108 HA VAL 12 HA VAL 12 -9.312 -8.485 -8.643 109 HB VAL 12 HB VAL 12 -7.946 -11.038 -9.498 110 HG11 VAL 12 1HG1 VAL 12 -7.743 -9.224 -7.145 111 HG12 VAL 12 2HG1 VAL 12 -7.487 -10.954 -6.913 112 HG13 VAL 12 3HG1 VAL 12 -6.473 -10.054 -8.042 113 HG21 VAL 12 3HG2 VAL 12 -9.733 -12.156 -8.794 114 HG22 VAL 12 1HG2 VAL 12 -9.492 -11.466 -7.189 115 HG23 VAL 12 2HG2 VAL 12 -10.543 -10.654 -8.348 116 H ILE 13 H ILE 13 -7.615 -7.132 -8.592 117 HA ILE 13 HA ILE 13 -5.632 -7.277 -10.756 118 HB ILE 13 HB ILE 13 -6.960 -4.737 -9.802 119 HG12 ILE 13 2HG1 ILE 13 -8.393 -6.068 -11.289 120 HG13 ILE 13 3HG1 ILE 13 -7.848 -4.596 -12.085 121 HG21 ILE 13 1HG2 ILE 13 -5.083 -3.743 -10.464 122 HG22 ILE 13 2HG2 ILE 13 -4.449 -5.241 -11.144 123 HG23 ILE 13 3HG2 ILE 13 -5.510 -4.215 -12.109 124 HD11 ILE 13 3HD1 ILE 13 -7.571 -7.295 -12.926 125 HD12 ILE 13 1HD1 ILE 13 -7.109 -5.816 -13.767 126 HD13 ILE 13 2HD1 ILE 13 -5.966 -6.606 -12.681 127 H GLN 14 H GLN 14 -3.696 -7.531 -9.881 128 HA GLN 14 HA GLN 14 -3.190 -6.459 -7.196 129 HB2 GLN 14 2HB GLN 14 -2.832 -8.930 -7.768 130 HB3 GLN 14 3HB GLN 14 -1.432 -8.396 -8.689 131 HG2 GLN 14 2HG GLN 14 -1.134 -7.165 -6.227 132 HG3 GLN 14 3HG GLN 14 -1.742 -8.774 -5.842 133 HE21 GLN 14 1HE2 GLN 14 -0.134 -10.067 -5.345 134 HE22 GLN 14 2HE2 GLN 14 1.396 -10.149 -6.142 135 H ILE 15 H ILE 15 -2.255 -4.529 -7.171 136 HA ILE 15 HA ILE 15 -0.166 -3.961 -9.172 137 HB ILE 15 HB ILE 15 -0.733 -1.568 -8.949 138 HG12 ILE 15 2HG1 ILE 15 -1.885 -2.085 -6.636 139 HG13 ILE 15 3HG1 ILE 15 -2.458 -0.760 -7.642 140 HG21 ILE 15 1HG2 ILE 15 -2.822 -3.503 -9.890 141 HG22 ILE 15 2HG2 ILE 15 -3.026 -1.762 -10.081 142 HG23 ILE 15 3HG2 ILE 15 -1.659 -2.578 -10.839 143 HD11 ILE 15 3HD1 ILE 15 -4.401 -1.816 -8.166 144 HD12 ILE 15 1HD1 ILE 15 -3.702 -3.427 -8.006 145 HD13 ILE 15 2HD1 ILE 15 -4.111 -2.495 -6.565 146 H THR 16 H THR 16 1.619 -2.691 -8.484 147 HA THR 16 HA THR 16 1.984 -2.576 -5.562 148 HB THR 16 HB THR 16 3.312 -4.423 -6.353 149 HG1 THR 16 HG1 THR 16 5.202 -2.337 -6.116 150 HG21 THR 16 3HG2 THR 16 4.056 -2.507 -8.504 151 HG22 THR 16 1HG2 THR 16 3.704 -4.232 -8.602 152 HG23 THR 16 2HG2 THR 16 5.263 -3.683 -7.988 153 H SER 17 H SER 17 1.056 -0.351 -6.467 154 HA SER 17 HA SER 17 3.140 1.540 -6.126 155 HB2 SER 17 2HB SER 17 3.749 1.219 -8.387 156 HB3 SER 17 3HB SER 17 2.069 1.121 -8.913 157 HG SER 17 HG SER 17 3.533 3.396 -8.099 158 H LEU 18 H LEU 18 1.436 1.842 -4.478 159 HA LEU 18 HA LEU 18 -0.861 3.380 -5.480 160 HB2 LEU 18 2HB LEU 18 -0.581 1.389 -3.464 161 HB3 LEU 18 3HB LEU 18 -1.071 2.897 -2.694 162 HG LEU 18 HG LEU 18 -2.948 1.365 -3.305 163 HD11 LEU 18 1HD1 LEU 18 -3.599 3.649 -4.957 164 HD12 LEU 18 2HD1 LEU 18 -2.758 4.124 -3.482 165 HD13 LEU 18 3HD1 LEU 18 -4.239 3.172 -3.384 166 HD21 LEU 18 3HD2 LEU 18 -2.308 2.177 -6.136 167 HD22 LEU 18 1HD2 LEU 18 -3.601 1.109 -5.589 168 HD23 LEU 18 2HD2 LEU 18 -1.918 0.600 -5.448 169 H THR 19 H THR 19 -1.448 5.342 -4.424 170 HA THR 19 HA THR 19 0.839 6.926 -3.673 171 HB THR 19 HB THR 19 -1.838 8.121 -3.349 172 HG1 THR 19 HG1 THR 19 -2.565 7.586 -5.257 173 HG21 THR 19 3HG2 THR 19 -0.538 9.649 -5.132 174 HG22 THR 19 1HG2 THR 19 0.839 8.838 -4.387 175 HG23 THR 19 2HG2 THR 19 -0.279 9.772 -3.392 176 H ASP 20 H ASP 20 0.319 8.606 -1.810 177 HA ASP 20 HA ASP 20 -0.615 7.076 0.529 178 HB2 ASP 20 2HB ASP 20 1.151 8.697 1.700 179 HB3 ASP 20 3HB ASP 20 1.615 7.132 1.037 180 H ASP 21 H ASP 21 -1.530 9.430 -1.386 181 HA ASP 21 HA ASP 21 -2.213 11.387 0.678 182 HB2 ASP 21 2HB ASP 21 -1.702 11.517 -2.149 183 HB3 ASP 21 3HB ASP 21 -3.301 12.171 -1.807 184 H ASN 22 H ASN 22 -3.814 9.457 -1.849 185 HA ASN 22 HA ASN 22 -6.313 9.683 -0.303 186 HB2 ASN 22 2HB ASN 22 -5.801 9.628 -3.258 187 HB3 ASN 22 3HB ASN 22 -7.343 9.060 -2.625 188 HD21 ASN 22 1HD2 ASN 22 -8.299 10.629 -0.945 189 HD22 ASN 22 2HD2 ASN 22 -8.298 12.294 -1.407 190 H THR 23 H THR 23 -4.338 7.549 -2.321 191 HA THR 23 HA THR 23 -4.124 5.284 -2.400 192 HB THR 23 HB THR 23 -5.342 5.474 0.359 193 HG1 THR 23 HG1 THR 23 -2.647 5.010 -0.441 194 HG21 THR 23 3HG2 THR 23 -4.250 3.136 -1.176 195 HG22 THR 23 1HG2 THR 23 -5.748 3.252 -0.254 196 HG23 THR 23 2HG2 THR 23 -4.199 3.177 0.586 197 H ILE 24 H ILE 24 -7.043 5.218 -0.413 198 HA ILE 24 HA ILE 24 -8.348 3.406 -2.172 199 HB ILE 24 HB ILE 24 -9.521 5.023 0.094 200 HG12 ILE 24 2HG1 ILE 24 -9.323 2.503 1.043 201 HG13 ILE 24 3HG1 ILE 24 -7.928 2.527 -0.030 202 HG21 ILE 24 1HG2 ILE 24 -11.029 2.809 -0.020 203 HG22 ILE 24 2HG2 ILE 24 -11.427 4.297 -0.879 204 HG23 ILE 24 3HG2 ILE 24 -10.621 2.977 -1.727 205 HD11 ILE 24 3HD1 ILE 24 -8.063 4.909 1.599 206 HD12 ILE 24 1HD1 ILE 24 -8.036 3.440 2.575 207 HD13 ILE 24 2HD1 ILE 24 -6.754 3.744 1.402 208 H ALA 25 H ALA 25 -8.942 6.824 -1.369 209 HA ALA 25 HA ALA 25 -11.106 7.237 -3.083 210 HB1 ALA 25 1HB ALA 25 -9.751 8.769 -1.284 211 HB2 ALA 25 2HB ALA 25 -9.304 9.530 -2.811 212 HB3 ALA 25 3HB ALA 25 -11.005 9.361 -2.374 213 H GLU 26 H GLU 26 -7.631 7.448 -3.679 214 HA GLU 26 HA GLU 26 -7.845 8.511 -6.303 215 HB2 GLU 26 2HB GLU 26 -5.783 8.728 -5.039 216 HB3 GLU 26 3HB GLU 26 -5.608 6.980 -4.968 217 HG2 GLU 26 2HG GLU 26 -4.114 7.821 -6.621 218 HG3 GLU 26 3HG GLU 26 -5.411 6.950 -7.438 219 H LEU 27 H LEU 27 -7.625 5.237 -5.006 220 HA LEU 27 HA LEU 27 -7.340 3.916 -7.490 221 HB2 LEU 27 2HB LEU 27 -7.576 3.208 -4.740 222 HB3 LEU 27 3HB LEU 27 -8.717 2.238 -5.669 223 HG LEU 27 HG LEU 27 -5.727 2.375 -6.044 224 HD11 LEU 27 1HD1 LEU 27 -7.590 0.221 -5.065 225 HD12 LEU 27 2HD1 LEU 27 -6.310 1.028 -4.160 226 HD13 LEU 27 3HD1 LEU 27 -5.901 -0.050 -5.494 227 HD21 LEU 27 3HD2 LEU 27 -6.480 0.348 -7.612 228 HD22 LEU 27 1HD2 LEU 27 -6.303 2.000 -8.203 229 HD23 LEU 27 2HD2 LEU 27 -7.901 1.380 -7.788 230 H LYS 28 H LYS 28 -10.184 4.514 -5.438 231 HA LYS 28 HA LYS 28 -12.051 3.301 -7.174 232 HB2 LYS 28 2HB LYS 28 -13.752 4.420 -5.841 233 HB3 LYS 28 3HB LYS 28 -12.507 3.749 -4.795 234 HG2 LYS 28 2HG LYS 28 -11.475 6.007 -4.674 235 HG3 LYS 28 3HG LYS 28 -12.852 6.633 -5.584 236 HD2 LYS 28 2HD LYS 28 -13.037 5.193 -2.939 237 HD3 LYS 28 3HD LYS 28 -13.084 6.946 -3.141 238 HE2 LYS 28 2HE LYS 28 -15.044 4.968 -4.305 239 HE3 LYS 28 3HE LYS 28 -15.332 6.017 -2.917 240 HZ1 LYS 28 3HZ LYS 28 -16.303 7.125 -4.699 241 HZ2 LYS 28 1HZ LYS 28 -15.031 6.770 -5.757 242 HZ3 LYS 28 2HZ LYS 28 -14.812 7.905 -4.523 243 H GLY 29 H GLY 29 -10.889 6.626 -6.857 244 HA2 GLY 29 2HA GLY 29 -12.712 7.769 -8.705 245 HA3 GLY 29 3HA GLY 29 -11.191 8.478 -8.184 246 H LYS 30 H LYS 30 -9.585 6.221 -9.082 247 HA LYS 30 HA LYS 30 -9.233 7.052 -11.803 248 HB2 LYS 30 2HB LYS 30 -7.842 5.131 -9.971 249 HB3 LYS 30 3HB LYS 30 -7.499 5.093 -11.696 250 HG2 LYS 30 2HG LYS 30 -7.334 7.655 -10.159 251 HG3 LYS 30 3HG LYS 30 -5.996 6.503 -10.159 252 HD2 LYS 30 2HD LYS 30 -6.296 6.579 -12.748 253 HD3 LYS 30 3HD LYS 30 -7.125 8.103 -12.420 254 HE2 LYS 30 2HE LYS 30 -5.219 9.157 -11.792 255 HE3 LYS 30 3HE LYS 30 -4.520 7.703 -11.081 256 HZ1 LYS 30 3HZ LYS 30 -4.496 7.037 -13.646 257 HZ2 LYS 30 1HZ LYS 30 -3.209 7.834 -12.890 258 HZ3 LYS 30 2HZ LYS 30 -4.331 8.714 -13.800 259 H LEU 31 H LEU 31 -10.521 4.212 -10.175 260 HA LEU 31 HA LEU 31 -10.753 2.595 -12.498 261 HB2 LEU 31 2HB LEU 31 -10.829 1.957 -9.983 262 HB3 LEU 31 3HB LEU 31 -12.547 2.323 -10.119 263 HG LEU 31 HG LEU 31 -11.371 0.419 -12.077 264 HD11 LEU 31 1HD1 LEU 31 -10.398 -0.593 -10.242 265 HD12 LEU 31 2HD1 LEU 31 -11.971 -1.385 -10.318 266 HD13 LEU 31 3HD1 LEU 31 -11.689 -0.095 -9.149 267 HD21 LEU 31 3HD2 LEU 31 -13.653 -0.663 -11.425 268 HD22 LEU 31 1HD2 LEU 31 -13.615 0.756 -12.471 269 HD23 LEU 31 2HD2 LEU 31 -14.001 0.933 -10.759 270 H GLU 32 H GLU 32 -13.020 4.701 -10.765 271 HA GLU 32 HA GLU 32 -15.238 4.153 -12.447 272 HB2 GLU 32 2HB GLU 32 -16.227 6.184 -11.417 273 HB3 GLU 32 3HB GLU 32 -15.600 5.044 -10.234 274 HG2 GLU 32 2HG GLU 32 -14.764 6.953 -9.359 275 HG3 GLU 32 3HG GLU 32 -13.445 6.562 -10.462 276 H GLU 33 H GLU 33 -12.751 6.663 -12.441 277 HA GLU 33 HA GLU 33 -13.867 8.192 -14.553 278 HB2 GLU 33 2HB GLU 33 -12.111 8.922 -12.848 279 HB3 GLU 33 3HB GLU 33 -10.941 8.073 -13.847 280 HG2 GLU 33 2HG GLU 33 -10.780 10.268 -14.564 281 HG3 GLU 33 3HG GLU 33 -11.824 9.517 -15.769 282 H SER 34 H SER 34 -11.606 5.504 -14.429 283 HA SER 34 HA SER 34 -10.721 5.620 -17.100 284 HB2 SER 34 2HB SER 34 -9.885 3.388 -16.759 285 HB3 SER 34 3HB SER 34 -9.664 4.278 -15.253 286 HG SER 34 HG SER 34 -10.547 2.257 -14.811 287 H GLU 35 H GLU 35 -13.453 3.974 -15.579 288 HA GLU 35 HA GLU 35 -14.285 2.716 -18.031 289 HB2 GLU 35 2HB GLU 35 -15.446 2.912 -15.268 290 HB3 GLU 35 3HB GLU 35 -16.392 2.257 -16.596 291 HG2 GLU 35 2HG GLU 35 -13.669 1.168 -16.118 292 HG3 GLU 35 3HG GLU 35 -14.974 0.704 -15.028 293 H GLY 36 H GLY 36 -14.539 5.815 -16.788 294 HA2 GLY 36 2HA GLY 36 -15.515 7.626 -17.927 295 HA3 GLY 36 3HA GLY 36 -16.543 6.496 -18.797 296 H ILE 37 H ILE 37 -17.618 5.094 -16.617 297 HA ILE 37 HA ILE 37 -18.966 7.150 -15.020 298 HB ILE 37 HB ILE 37 -20.185 5.723 -17.178 299 HG12 ILE 37 2HG1 ILE 37 -21.869 7.291 -15.326 300 HG13 ILE 37 3HG1 ILE 37 -20.450 8.130 -15.944 301 HG21 ILE 37 1HG2 ILE 37 -22.122 4.772 -16.039 302 HG22 ILE 37 2HG2 ILE 37 -20.635 3.966 -15.545 303 HG23 ILE 37 3HG2 ILE 37 -21.393 5.145 -14.477 304 HD11 ILE 37 3HD1 ILE 37 -22.737 6.962 -17.494 305 HD12 ILE 37 1HD1 ILE 37 -22.217 8.645 -17.405 306 HD13 ILE 37 2HD1 ILE 37 -21.223 7.458 -18.250 307 HA PRO 38 HA PRO 38 -18.464 4.298 -11.715 308 HB2 PRO 38 2HB PRO 38 -20.532 5.038 -10.119 309 HB3 PRO 38 3HB PRO 38 -19.074 6.018 -10.318 310 HG2 PRO 38 2HG PRO 38 -21.747 6.311 -11.633 311 HG3 PRO 38 3HG PRO 38 -20.690 7.563 -10.954 312 HD2 PRO 38 2HD PRO 38 -20.829 7.057 -13.610 313 HD3 PRO 38 3HD PRO 38 -19.339 7.612 -12.821 314 H GLY 39 H GLY 39 -19.055 2.248 -11.268 315 HA2 GLY 39 2HA GLY 39 -20.976 0.902 -12.782 316 HA3 GLY 39 3HA GLY 39 -20.238 0.283 -11.313 317 H ASN 40 H ASN 40 -21.170 2.016 -9.410 318 HA ASN 40 HA ASN 40 -23.835 2.733 -9.450 319 HB2 ASN 40 2HB ASN 40 -23.542 -0.099 -9.483 320 HB3 ASN 40 3HB ASN 40 -24.162 0.357 -7.899 321 HD21 ASN 40 1HD2 ASN 40 -26.227 1.024 -7.700 322 HD22 ASN 40 2HD2 ASN 40 -27.346 1.123 -9.013 323 H MET 41 H MET 41 -22.165 0.591 -7.142 324 HA MET 41 HA MET 41 -22.390 2.727 -5.136 325 HB2 MET 41 2HB MET 41 -22.441 -0.244 -5.004 326 HB3 MET 41 3HB MET 41 -21.735 0.613 -3.640 327 HG2 MET 41 2HG MET 41 -23.819 1.917 -3.427 328 HG3 MET 41 3HG MET 41 -24.518 0.956 -4.728 329 HE1 MET 41 3HE MET 41 -25.951 1.027 -1.589 330 HE2 MET 41 1HE MET 41 -26.446 0.640 -3.238 331 HE3 MET 41 2HE MET 41 -26.565 -0.582 -1.972 332 H ILE 42 H ILE 42 -20.144 0.344 -6.481 333 HA ILE 42 HA ILE 42 -17.873 0.152 -6.380 334 HB ILE 42 HB ILE 42 -17.835 3.156 -6.177 335 HG12 ILE 42 2HG1 ILE 42 -17.689 2.541 -8.869 336 HG13 ILE 42 3HG1 ILE 42 -18.935 1.447 -8.280 337 HG21 ILE 42 1HG2 ILE 42 -15.783 1.400 -6.237 338 HG22 ILE 42 2HG2 ILE 42 -16.005 1.701 -7.960 339 HG23 ILE 42 3HG2 ILE 42 -15.694 3.046 -6.862 340 HD11 ILE 42 3HD1 ILE 42 -20.121 3.381 -7.314 341 HD12 ILE 42 1HD1 ILE 42 -18.904 4.443 -8.023 342 HD13 ILE 42 2HD1 ILE 42 -19.946 3.474 -9.066 343 H ARG 43 H ARG 43 -18.821 -0.417 -3.969 344 HA ARG 43 HA ARG 43 -17.085 1.056 -2.097 345 HB2 ARG 43 2HB ARG 43 -19.812 0.724 -1.921 346 HB3 ARG 43 3HB ARG 43 -19.205 -0.573 -0.900 347 HG2 ARG 43 2HG ARG 43 -18.120 0.923 0.545 348 HG3 ARG 43 3HG ARG 43 -18.262 2.258 -0.601 349 HD2 ARG 43 2HD ARG 43 -20.870 1.558 -0.239 350 HD3 ARG 43 3HD ARG 43 -20.190 1.231 1.355 351 HE ARG 43 HE ARG 43 -19.974 3.484 1.682 352 HH11 ARG 43 1HH1 ARG 43 -20.450 2.869 -1.712 353 HH12 ARG 43 2HH1 ARG 43 -20.609 4.544 -2.126 354 HH21 ARG 43 1HH2 ARG 43 -20.182 5.692 1.149 355 HH22 ARG 43 2HH2 ARG 43 -20.456 6.149 -0.498 356 H LEU 44 H LEU 44 -15.413 -0.048 -1.340 357 HA LEU 44 HA LEU 44 -15.462 -2.981 -1.524 358 HB2 LEU 44 2HB LEU 44 -13.009 -2.839 -1.399 359 HB3 LEU 44 3HB LEU 44 -13.678 -1.974 -2.780 360 HG LEU 44 HG LEU 44 -13.100 -0.421 -0.311 361 HD11 LEU 44 1HD1 LEU 44 -10.765 -0.247 -1.776 362 HD12 LEU 44 2HD1 LEU 44 -11.113 -1.976 -1.739 363 HD13 LEU 44 3HD1 LEU 44 -10.975 -1.072 -0.231 364 HD21 LEU 44 3HD2 LEU 44 -12.261 0.522 -2.954 365 HD22 LEU 44 1HD2 LEU 44 -13.202 1.333 -1.702 366 HD23 LEU 44 2HD2 LEU 44 -13.991 0.208 -2.808 367 H VAL 45 H VAL 45 -14.500 -4.222 0.201 368 HA VAL 45 HA VAL 45 -14.762 -2.890 2.818 369 HB VAL 45 HB VAL 45 -16.476 -4.607 2.436 370 HG11 VAL 45 1HG1 VAL 45 -15.014 -5.987 0.910 371 HG12 VAL 45 2HG1 VAL 45 -14.249 -6.630 2.365 372 HG13 VAL 45 3HG1 VAL 45 -15.970 -6.893 2.082 373 HG21 VAL 45 3HG2 VAL 45 -15.921 -4.301 4.701 374 HG22 VAL 45 1HG2 VAL 45 -15.897 -6.047 4.457 375 HG23 VAL 45 2HG2 VAL 45 -14.383 -5.145 4.525 376 H TYR 46 H TYR 46 -13.035 -2.839 4.103 377 HA TYR 46 HA TYR 46 -10.706 -4.473 3.353 378 HB2 TYR 46 2HB TYR 46 -10.836 -1.768 3.619 379 HB3 TYR 46 3HB TYR 46 -10.311 -2.234 5.233 380 HD1 TYR 46 HD1 TYR 46 -8.518 -4.442 4.820 381 HD2 TYR 46 HD2 TYR 46 -9.019 -0.938 2.459 382 HE1 TYR 46 HE1 TYR 46 -6.208 -4.666 4.008 383 HE2 TYR 46 HE2 TYR 46 -6.710 -1.153 1.640 384 HH TYR 46 HH TYR 46 -5.023 -3.028 1.358 385 H GLN 47 H GLN 47 -10.387 -6.186 4.595 386 HA GLN 47 HA GLN 47 -10.337 -7.589 6.386 387 HB2 GLN 47 2HB GLN 47 -9.043 -5.284 7.125 388 HB3 GLN 47 3HB GLN 47 -10.217 -5.478 8.420 389 HG2 GLN 47 2HG GLN 47 -9.165 -7.256 9.285 390 HG3 GLN 47 3HG GLN 47 -8.766 -7.921 7.702 391 HE21 GLN 47 1HE2 GLN 47 -7.931 -5.152 9.759 392 HE22 GLN 47 2HE2 GLN 47 -6.237 -5.193 9.420 393 H GLY 48 H GLY 48 -12.917 -6.700 5.491 394 HA2 GLY 48 2HA GLY 48 -15.070 -7.227 6.186 395 HA3 GLY 48 3HA GLY 48 -14.450 -7.484 7.811 396 H LYS 49 H LYS 49 -13.317 -4.558 6.774 397 HA LYS 49 HA LYS 49 -15.463 -3.152 8.206 398 HB2 LYS 49 2HB LYS 49 -12.593 -2.967 8.244 399 HB3 LYS 49 3HB LYS 49 -13.278 -1.416 7.777 400 HG2 LYS 49 2HG LYS 49 -13.678 -0.991 9.908 401 HG3 LYS 49 3HG LYS 49 -14.811 -2.343 9.944 402 HD2 LYS 49 2HD LYS 49 -11.841 -2.649 10.354 403 HD3 LYS 49 3HD LYS 49 -12.988 -2.420 11.676 404 HE2 LYS 49 2HE LYS 49 -12.978 -4.683 9.681 405 HE3 LYS 49 3HE LYS 49 -12.494 -4.780 11.373 406 HZ1 LYS 49 3HZ LYS 49 -14.590 -5.283 11.826 407 HZ2 LYS 49 1HZ LYS 49 -15.090 -4.958 10.242 408 HZ3 LYS 49 2HZ LYS 49 -15.031 -3.711 11.384 409 H GLN 50 H GLN 50 -16.246 -1.140 7.410 410 HA GLN 50 HA GLN 50 -16.016 -0.899 4.486 411 HB2 GLN 50 2HB GLN 50 -18.251 0.189 6.193 412 HB3 GLN 50 3HB GLN 50 -18.226 -0.006 4.445 413 HG2 GLN 50 2HG GLN 50 -19.206 -1.968 4.690 414 HG3 GLN 50 3HG GLN 50 -17.764 -2.554 5.517 415 HE21 GLN 50 1HE2 GLN 50 -17.911 -3.089 7.595 416 HE22 GLN 50 2HE2 GLN 50 -19.278 -2.793 8.608 417 H LEU 51 H LEU 51 -16.207 1.298 3.598 418 HA LEU 51 HA LEU 51 -15.514 3.455 3.412 419 HB2 LEU 51 2HB LEU 51 -15.686 3.750 6.386 420 HB3 LEU 51 3HB LEU 51 -15.996 4.949 5.132 421 HG LEU 51 HG LEU 51 -17.775 2.586 5.729 422 HD11 LEU 51 1HD1 LEU 51 -19.113 4.950 6.313 423 HD12 LEU 51 2HD1 LEU 51 -17.512 5.153 7.024 424 HD13 LEU 51 3HD1 LEU 51 -18.502 3.763 7.466 425 HD21 LEU 51 3HD2 LEU 51 -18.006 3.264 3.449 426 HD22 LEU 51 1HD2 LEU 51 -18.064 4.967 3.904 427 HD23 LEU 51 2HD2 LEU 51 -19.392 3.892 4.343 428 H GLU 52 H GLU 52 -13.433 3.357 2.779 429 HA GLU 52 HA GLU 52 -11.386 3.281 4.897 430 HB2 GLU 52 2HB GLU 52 -11.056 2.266 2.070 431 HB3 GLU 52 3HB GLU 52 -9.882 2.153 3.374 432 HG2 GLU 52 2HG GLU 52 -12.588 0.858 3.499 433 HG3 GLU 52 3HG GLU 52 -11.165 0.055 2.839 434 H ASP 53 H ASP 53 -12.872 5.199 2.693 435 HA ASP 53 HA ASP 53 -10.878 6.553 1.325 436 HB2 ASP 53 2HB ASP 53 -13.595 6.841 1.609 437 HB3 ASP 53 3HB ASP 53 -12.984 8.303 2.378 438 H GLU 54 H GLU 54 -12.035 7.014 4.633 439 HA GLU 54 HA GLU 54 -10.485 9.325 5.174 440 HB2 GLU 54 2HB GLU 54 -12.415 7.792 6.528 441 HB3 GLU 54 3HB GLU 54 -10.978 7.751 7.540 442 HG2 GLU 54 2HG GLU 54 -10.898 10.170 7.579 443 HG3 GLU 54 3HG GLU 54 -12.285 10.252 6.494 444 H LYS 55 H LYS 55 -9.742 5.975 5.029 445 HA LYS 55 HA LYS 55 -7.258 6.322 6.538 446 HB2 LYS 55 2HB LYS 55 -8.804 3.943 5.570 447 HB3 LYS 55 3HB LYS 55 -7.099 3.776 5.966 448 HG2 LYS 55 2HG LYS 55 -8.180 3.171 7.926 449 HG3 LYS 55 3HG LYS 55 -7.721 4.852 8.212 450 HD2 LYS 55 2HD LYS 55 -9.857 5.539 8.312 451 HD3 LYS 55 3HD LYS 55 -10.345 4.524 6.953 452 HE2 LYS 55 2HE LYS 55 -9.682 2.936 9.275 453 HE3 LYS 55 3HE LYS 55 -10.931 4.124 9.646 454 HZ1 LYS 55 3HZ LYS 55 -11.980 2.143 8.886 455 HZ2 LYS 55 1HZ LYS 55 -11.000 2.067 7.509 456 HZ3 LYS 55 2HZ LYS 55 -12.146 3.302 7.664 457 H ARG 56 H ARG 56 -7.445 7.705 4.095 458 HA ARG 56 HA ARG 56 -6.486 6.500 1.825 459 HB2 ARG 56 2HB ARG 56 -5.189 8.800 1.590 460 HB3 ARG 56 3HB ARG 56 -6.940 8.712 1.457 461 HG2 ARG 56 2HG ARG 56 -5.979 9.103 4.189 462 HG3 ARG 56 3HG ARG 56 -5.564 10.411 3.080 463 HD2 ARG 56 2HD ARG 56 -8.153 9.976 2.414 464 HD3 ARG 56 3HD ARG 56 -8.181 9.571 4.129 465 HE ARG 56 HE ARG 56 -7.891 12.175 2.977 466 HH11 ARG 56 1HH1 ARG 56 -7.130 10.200 5.741 467 HH12 ARG 56 2HH1 ARG 56 -6.983 11.543 6.825 468 HH21 ARG 56 1HH2 ARG 56 -7.701 13.952 4.394 469 HH22 ARG 56 2HH2 ARG 56 -7.309 13.677 6.058 470 H LEU 57 H LEU 57 -4.230 8.444 3.744 471 HA LEU 57 HA LEU 57 -1.959 7.046 2.852 472 HB2 LEU 57 2HB LEU 57 -2.184 9.399 3.899 473 HB3 LEU 57 3HB LEU 57 -2.036 8.554 5.439 474 HG LEU 57 HG LEU 57 0.034 8.275 3.279 475 HD11 LEU 57 1HD1 LEU 57 0.281 10.518 3.539 476 HD12 LEU 57 2HD1 LEU 57 1.226 9.979 4.927 477 HD13 LEU 57 3HD1 LEU 57 -0.436 10.527 5.150 478 HD21 LEU 57 3HD2 LEU 57 0.863 6.822 4.740 479 HD22 LEU 57 1HD2 LEU 57 -0.366 7.240 5.934 480 HD23 LEU 57 2HD2 LEU 57 1.131 8.169 5.847 481 H LYS 58 H LYS 58 -4.007 6.664 5.677 482 HA LYS 58 HA LYS 58 -2.390 4.983 7.207 483 HB2 LYS 58 2HB LYS 58 -5.107 5.867 7.226 484 HB3 LYS 58 3HB LYS 58 -5.087 4.127 7.483 485 HG2 LYS 58 2HG LYS 58 -3.057 5.348 9.084 486 HG3 LYS 58 3HG LYS 58 -4.601 6.159 9.357 487 HD2 LYS 58 2HD LYS 58 -5.406 3.588 9.393 488 HD3 LYS 58 3HD LYS 58 -3.759 3.403 10.002 489 HE2 LYS 58 2HE LYS 58 -4.235 5.123 11.708 490 HE3 LYS 58 3HE LYS 58 -5.896 5.215 11.123 491 HZ1 LYS 58 3HZ LYS 58 -5.566 3.773 13.106 492 HZ2 LYS 58 1HZ LYS 58 -4.656 2.721 12.143 493 HZ3 LYS 58 2HZ LYS 58 -6.289 2.987 11.794 494 H ASP 59 H ASP 59 -4.199 4.365 4.320 495 HA ASP 59 HA ASP 59 -4.130 1.491 4.607 496 HB2 ASP 59 2HB ASP 59 -5.239 3.427 2.659 497 HB3 ASP 59 3HB ASP 59 -4.781 1.854 2.012 498 H TYR 60 H TYR 60 -2.021 3.914 3.502 499 HA TYR 60 HA TYR 60 -0.624 2.362 1.542 500 HB2 TYR 60 2HB TYR 60 -0.592 4.801 1.445 501 HB3 TYR 60 3HB TYR 60 0.190 4.873 3.020 502 HD1 TYR 60 HD1 TYR 60 0.734 3.253 -0.309 503 HD2 TYR 60 HD2 TYR 60 2.465 5.230 3.037 504 HE1 TYR 60 HE1 TYR 60 2.934 3.170 -1.406 505 HE2 TYR 60 HE2 TYR 60 4.669 5.154 1.949 506 HH TYR 60 HH TYR 60 5.455 5.005 -0.609 507 H GLN 61 H GLN 61 -0.543 2.618 4.969 508 HA GLN 61 HA GLN 61 2.139 1.677 5.324 509 HB2 GLN 61 2HB GLN 61 0.257 2.860 6.956 510 HB3 GLN 61 3HB GLN 61 0.298 1.204 7.548 511 HG2 GLN 61 2HG GLN 61 2.620 1.340 8.021 512 HG3 GLN 61 3HG GLN 61 2.762 2.883 7.178 513 HE21 GLN 61 1HE2 GLN 61 1.255 1.307 9.948 514 HE22 GLN 61 2HE2 GLN 61 1.195 2.715 10.947 515 H MET 62 H MET 62 -0.622 0.190 4.249 516 HA MET 62 HA MET 62 -0.257 -2.360 5.547 517 HB2 MET 62 2HB MET 62 -1.920 -1.820 3.093 518 HB3 MET 62 3HB MET 62 -2.119 -3.108 4.273 519 HG2 MET 62 2HG MET 62 -2.572 -0.174 4.770 520 HG3 MET 62 3HG MET 62 -3.822 -1.391 4.522 521 HE1 MET 62 3HE MET 62 -4.793 -2.660 5.887 522 HE2 MET 62 1HE MET 62 -3.832 -3.717 6.921 523 HE3 MET 62 2HE MET 62 -4.824 -2.447 7.638 524 H SER 63 H SER 63 -0.282 -1.509 2.083 525 HA SER 63 HA SER 63 0.888 -2.328 0.311 526 HB2 SER 63 2HB SER 63 3.143 -2.926 2.219 527 HB3 SER 63 3HB SER 63 3.238 -2.440 0.526 528 HG SER 63 HG SER 63 3.670 -0.619 1.649 529 H ALA 64 H ALA 64 -0.670 -4.168 2.077 530 HA ALA 64 HA ALA 64 -0.175 -6.567 0.723 531 HB1 ALA 64 1HB ALA 64 1.802 -6.898 1.948 532 HB2 ALA 64 2HB ALA 64 1.052 -6.379 3.458 533 HB3 ALA 64 3HB ALA 64 0.597 -7.920 2.732 534 H GLY 65 H GLY 65 -2.426 -5.053 1.291 535 HA2 GLY 65 2HA GLY 65 -3.911 -6.831 3.128 536 HA3 GLY 65 3HA GLY 65 -4.262 -5.117 2.962 537 H ALA 66 H ALA 66 -5.375 -8.064 2.175 538 HA ALA 66 HA ALA 66 -6.049 -7.882 -0.546 539 HB1 ALA 66 1HB ALA 66 -8.058 -9.266 1.011 540 HB2 ALA 66 2HB ALA 66 -6.931 -9.895 -0.192 541 HB3 ALA 66 3HB ALA 66 -6.424 -9.730 1.489 542 H THR 67 H THR 67 -7.665 -6.899 -1.627 543 HA THR 67 HA THR 67 -9.659 -5.411 -0.045 544 HB THR 67 HB THR 67 -9.372 -4.113 -2.535 545 HG1 THR 67 HG1 THR 67 -6.851 -4.278 -1.241 546 HG21 THR 67 3HG2 THR 67 -8.200 -3.164 0.067 547 HG22 THR 67 1HG2 THR 67 -9.940 -3.232 -0.203 548 HG23 THR 67 2HG2 THR 67 -8.929 -2.208 -1.223 549 H PHE 68 H PHE 68 -11.754 -5.458 -0.735 550 HA PHE 68 HA PHE 68 -12.330 -6.934 -3.214 551 HB2 PHE 68 2HB PHE 68 -12.742 -8.524 -1.490 552 HB3 PHE 68 3HB PHE 68 -13.563 -7.331 -0.489 553 HD1 PHE 68 HD1 PHE 68 -15.844 -6.653 -0.978 554 HD2 PHE 68 HD2 PHE 68 -13.866 -9.610 -3.315 555 HE1 PHE 68 HE1 PHE 68 -18.006 -7.344 -1.927 556 HE2 PHE 68 HE2 PHE 68 -16.025 -10.305 -4.268 557 HZ PHE 68 HZ PHE 68 -18.099 -9.171 -3.575 558 H HIS 69 H HIS 69 -13.331 -5.595 -4.554 559 HA HIS 69 HA HIS 69 -14.887 -3.365 -3.520 560 HB2 HIS 69 2HB HIS 69 -13.976 -4.132 -6.293 561 HB3 HIS 69 3HB HIS 69 -15.056 -2.774 -5.988 562 HD1 HIS 69 HD1 HIS 69 -11.991 -3.700 -3.962 563 HD2 HIS 69 HD2 HIS 69 -13.362 -0.691 -6.477 564 HE1 HIS 69 HE1 HIS 69 -10.247 -1.891 -3.859 565 H MET 70 H MET 70 -17.064 -3.029 -3.902 566 HA MET 70 HA MET 70 -18.548 -5.286 -5.072 567 HB2 MET 70 2HB MET 70 -18.817 -5.512 -2.709 568 HB3 MET 70 3HB MET 70 -19.135 -3.793 -2.517 569 HG2 MET 70 2HG MET 70 -21.296 -3.976 -3.149 570 HG3 MET 70 3HG MET 70 -20.970 -5.288 -4.279 571 HE1 MET 70 3HE MET 70 -23.225 -6.385 -3.538 572 HE2 MET 70 1HE MET 70 -23.598 -6.911 -1.896 573 HE3 MET 70 2HE MET 70 -23.559 -5.191 -2.283 574 H VAL 71 H VAL 71 -19.998 -4.739 -6.576 575 HA VAL 71 HA VAL 71 -21.035 -1.994 -6.630 576 HB VAL 71 HB VAL 71 -20.815 -2.154 -9.196 577 HG11 VAL 71 1HG1 VAL 71 -19.527 -0.459 -8.455 578 HG12 VAL 71 2HG1 VAL 71 -18.810 -1.428 -7.165 579 HG13 VAL 71 3HG1 VAL 71 -18.208 -1.572 -8.817 580 HG21 VAL 71 3HG2 VAL 71 -18.703 -4.142 -8.364 581 HG22 VAL 71 1HG2 VAL 71 -20.152 -4.493 -9.307 582 HG23 VAL 71 2HG2 VAL 71 -18.891 -3.460 -9.980 583 H VAL 72 H VAL 72 -23.159 -2.240 -6.400 584 HA VAL 72 HA VAL 72 -24.487 -4.497 -7.735 585 HB VAL 72 HB VAL 72 -24.959 -4.482 -5.395 586 HG11 VAL 72 1HG1 VAL 72 -26.372 -2.110 -4.907 587 HG12 VAL 72 2HG1 VAL 72 -24.806 -2.585 -4.247 588 HG13 VAL 72 3HG1 VAL 72 -24.887 -1.630 -5.728 589 HG21 VAL 72 3HG2 VAL 72 -27.479 -3.214 -6.218 590 HG22 VAL 72 1HG2 VAL 72 -26.893 -4.481 -7.297 591 HG23 VAL 72 2HG2 VAL 72 -27.173 -4.835 -5.592 592 H ALA 73 H ALA 73 -25.120 -3.917 -9.721 593 HA ALA 73 HA ALA 73 -26.537 -1.348 -10.021 594 HB1 ALA 73 1HB ALA 73 -25.171 -2.784 -12.277 595 HB2 ALA 73 2HB ALA 73 -25.699 -1.102 -12.197 596 HB3 ALA 73 3HB ALA 73 -24.316 -1.639 -11.243 597 H LEU 74 H LEU 74 -28.619 -2.025 -9.731 598 HA LEU 74 HA LEU 74 -29.602 -4.096 -11.582 599 HB2 LEU 74 2HB LEU 74 -31.319 -4.634 -9.996 600 HB3 LEU 74 3HB LEU 74 -29.748 -4.717 -9.201 601 HG LEU 74 HG LEU 74 -30.979 -2.114 -8.869 602 HD11 LEU 74 1HD1 LEU 74 -33.108 -2.957 -8.832 603 HD12 LEU 74 2HD1 LEU 74 -32.639 -3.192 -7.148 604 HD13 LEU 74 3HD1 LEU 74 -32.589 -4.548 -8.274 605 HD21 LEU 74 3HD2 LEU 74 -29.091 -2.998 -7.564 606 HD22 LEU 74 1HD2 LEU 74 -30.149 -4.243 -6.899 607 HD23 LEU 74 2HD2 LEU 74 -30.454 -2.543 -6.540 608 H ARG 75 H ARG 75 -29.295 -1.172 -11.991 609 HA ARG 75 HA ARG 75 -32.124 -0.528 -12.512 610 HB2 ARG 75 2HB ARG 75 -29.844 1.342 -11.851 611 HB3 ARG 75 3HB ARG 75 -31.432 1.872 -12.389 612 HG2 ARG 75 2HG ARG 75 -32.315 1.631 -10.360 613 HG3 ARG 75 3HG ARG 75 -31.563 0.051 -10.128 614 HD2 ARG 75 2HD ARG 75 -29.385 1.463 -9.824 615 HD3 ARG 75 3HD ARG 75 -30.516 2.771 -9.478 616 HE ARG 75 HE ARG 75 -29.872 0.557 -7.785 617 HH11 ARG 75 1HH1 ARG 75 -32.362 2.838 -8.630 618 HH12 ARG 75 2HH1 ARG 75 -33.148 2.750 -7.089 619 HH21 ARG 75 1HH2 ARG 75 -30.897 0.433 -5.751 620 HH22 ARG 75 2HH2 ARG 75 -32.313 1.382 -5.451 621 H ALA 76 H ALA 76 -32.063 1.438 -14.238 622 HA ALA 76 HA ALA 76 -31.200 0.222 -16.663 623 HB1 ALA 76 1HB ALA 76 -32.011 3.093 -16.507 624 HB2 ALA 76 2HB ALA 76 -32.348 1.898 -17.759 625 HB3 ALA 76 3HB ALA 76 -33.199 1.822 -16.217 626 H GLY 77 H GLY 77 -29.958 1.558 -18.332 627 HA2 GLY 77 2HA GLY 77 -28.204 3.556 -17.969 628 HA3 GLY 77 3HA GLY 77 -27.395 2.230 -17.148 629 H CYS 78 H CYS 78 -28.899 3.076 -20.255 630 HA CYS 78 HA CYS 78 -26.731 1.620 -21.595 631 HB2 CYS 78 2HB CYS 78 -29.369 0.714 -21.499 632 HB3 CYS 78 3HB CYS 78 -29.222 1.467 -23.082 633 HG CYS 78 HG CYS 78 -28.654 -1.016 -23.800
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