NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9027 | 1n9c | 5597 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 22 1H VAL 22 -14.046 4.300 0.484 2 2H VAL 22 2H VAL 22 -12.694 4.357 1.425 3 3H VAL 22 3H VAL 22 -13.551 5.781 1.113 4 HA VAL 22 HA VAL 22 -13.171 5.349 -1.221 5 HB VAL 22 HB VAL 22 -10.460 5.361 0.166 6 1HG1 VAL 22 1HG1 VAL 22 -10.620 5.220 -2.351 7 2HG1 VAL 22 2HG1 VAL 22 -11.551 6.728 -2.349 8 3HG1 VAL 22 3HG1 VAL 22 -9.871 6.719 -1.800 9 1HG2 VAL 22 1HG2 VAL 22 -12.392 7.705 -0.176 10 2HG2 VAL 22 2HG2 VAL 22 -11.784 7.045 1.362 11 3HG2 VAL 22 3HG2 VAL 22 -10.674 7.846 0.246 12 H ASP 23 H ASP 23 -12.839 3.785 -2.527 13 HA ASP 23 HA ASP 23 -12.681 1.063 -1.785 14 1HB ASP 23 1HB ASP 23 -13.789 1.757 -3.825 15 2HB ASP 23 2HB ASP 23 -12.284 2.388 -4.492 16 H ALA 24 H ALA 24 -10.963 0.358 -0.761 17 HA ALA 24 HA ALA 24 -8.393 1.359 -0.805 18 1HB ALA 24 1HB ALA 24 -9.358 -0.181 0.929 19 2HB ALA 24 2HB ALA 24 -9.240 -1.504 -0.240 20 3HB ALA 24 3HB ALA 24 -7.763 -0.671 0.318 21 H GLU 25 H GLU 25 -9.786 -1.320 -2.789 22 HA GLU 25 HA GLU 25 -7.134 -2.093 -3.696 23 1HB GLU 25 1HB GLU 25 -8.009 -3.883 -4.619 24 2HB GLU 25 2HB GLU 25 -9.401 -3.535 -3.595 25 1HG GLU 25 1HG GLU 25 -10.528 -2.481 -5.523 26 2HG GLU 25 2HG GLU 25 -9.082 -2.746 -6.542 27 H ALA 26 H ALA 26 -9.915 -0.169 -4.955 28 HA ALA 26 HA ALA 26 -8.763 0.500 -7.444 29 1HB ALA 26 1HB ALA 26 -10.469 2.327 -5.738 30 2HB ALA 26 2HB ALA 26 -10.200 2.441 -7.483 31 3HB ALA 26 3HB ALA 26 -11.088 1.052 -6.825 32 H VAL 27 H VAL 27 -8.426 2.246 -4.303 33 HA VAL 27 HA VAL 27 -6.545 4.260 -5.135 34 HB VAL 27 HB VAL 27 -6.757 2.765 -2.490 35 1HG1 VAL 27 1HG1 VAL 27 -4.513 3.777 -2.673 36 2HG1 VAL 27 2HG1 VAL 27 -5.227 5.306 -3.227 37 3HG1 VAL 27 3HG1 VAL 27 -5.516 4.737 -1.576 38 1HG2 VAL 27 1HG2 VAL 27 -7.665 5.584 -3.205 39 2HG2 VAL 27 2HG2 VAL 27 -8.750 4.194 -3.253 40 3HG2 VAL 27 3HG2 VAL 27 -8.000 4.662 -1.719 41 H VAL 28 H VAL 28 -5.854 0.827 -3.960 42 HA VAL 28 HA VAL 28 -3.152 1.470 -4.326 43 HB VAL 28 HB VAL 28 -4.576 -1.145 -3.821 44 1HG1 VAL 28 1HG1 VAL 28 -2.490 -1.767 -4.817 45 2HG1 VAL 28 2HG1 VAL 28 -1.612 -0.485 -3.956 46 3HG1 VAL 28 3HG1 VAL 28 -2.194 -1.858 -3.075 47 1HG2 VAL 28 1HG2 VAL 28 -2.880 0.719 -2.088 48 2HG2 VAL 28 2HG2 VAL 28 -4.639 0.834 -2.152 49 3HG2 VAL 28 3HG2 VAL 28 -3.907 -0.591 -1.523 50 H GLN 29 H GLN 29 -5.366 -0.190 -6.331 51 HA GLN 29 HA GLN 29 -3.799 -0.745 -8.636 52 1HB GLN 29 1HB GLN 29 -6.771 -0.465 -8.113 53 2HB GLN 29 2HB GLN 29 -6.154 -0.973 -9.655 54 1HG GLN 29 1HG GLN 29 -5.566 -2.444 -7.059 55 2HG GLN 29 2HG GLN 29 -6.788 -2.900 -8.249 56 1HE2 GLN 29 1HE2 GLN 29 -3.995 -4.070 -7.262 57 2HE2 GLN 29 2HE2 GLN 29 -3.159 -4.374 -8.782 58 H GLN 30 H GLN 30 -4.549 2.352 -7.440 59 HA GLN 30 HA GLN 30 -3.687 3.309 -10.119 60 1HB GLN 30 1HB GLN 30 -6.340 3.634 -9.176 61 2HB GLN 30 2HB GLN 30 -5.564 5.197 -8.907 62 1HG GLN 30 1HG GLN 30 -4.718 5.024 -11.337 63 2HG GLN 30 2HG GLN 30 -5.750 3.591 -11.495 64 1HE2 GLN 30 1HE2 GLN 30 -5.791 7.072 -10.619 65 2HE2 GLN 30 2HE2 GLN 30 -7.435 7.355 -11.186 66 H LYS 31 H LYS 31 -3.107 3.501 -6.790 67 HA LYS 31 HA LYS 31 -1.575 6.037 -7.128 68 1HB LYS 31 1HB LYS 31 -3.471 5.127 -5.111 69 2HB LYS 31 2HB LYS 31 -1.919 5.268 -4.377 70 1HG LYS 31 1HG LYS 31 -2.848 7.374 -4.088 71 2HG LYS 31 2HG LYS 31 -1.858 7.646 -5.534 72 1HD LYS 31 1HD LYS 31 -3.871 7.275 -6.958 73 2HD LYS 31 2HD LYS 31 -4.830 6.942 -5.499 74 1HE LYS 31 1HE LYS 31 -4.205 9.266 -4.647 75 2HE LYS 31 2HE LYS 31 -3.482 9.586 -6.231 76 1HZ LYS 31 1HZ LYS 31 -5.715 10.411 -6.093 77 2HZ LYS 31 2HZ LYS 31 -5.670 9.191 -7.197 78 3HZ LYS 31 3HZ LYS 31 -6.312 8.934 -5.700 79 H CYS 32 H CYS 32 -1.332 2.577 -6.403 80 HA CYS 32 HA CYS 32 1.477 2.981 -5.476 81 1HB CYS 32 1HB CYS 32 -0.166 0.540 -5.079 82 2HB CYS 32 2HB CYS 32 1.185 1.087 -4.108 83 H ILE 33 H ILE 33 -0.610 0.916 -7.551 84 HA ILE 33 HA ILE 33 1.322 -0.779 -8.561 85 HB ILE 33 HB ILE 33 0.029 -0.923 -10.617 86 1HG1 ILE 33 1HG1 ILE 33 -1.921 1.133 -9.549 87 2HG1 ILE 33 2HG1 ILE 33 -0.657 1.560 -10.699 88 1HG2 ILE 33 1HG2 ILE 33 -1.647 -0.953 -8.084 89 2HG2 ILE 33 2HG2 ILE 33 -2.036 -1.806 -9.597 90 3HG2 ILE 33 3HG2 ILE 33 -0.608 -2.232 -8.675 91 1HD1 ILE 33 1HD1 ILE 33 -2.806 -0.502 -11.250 92 2HD1 ILE 33 2HD1 ILE 33 -2.640 1.118 -11.952 93 3HD1 ILE 33 3HD1 ILE 33 -1.430 -0.122 -12.307 94 H SER 34 H SER 34 0.855 2.625 -9.361 95 HA SER 34 HA SER 34 2.302 3.132 -11.553 96 1HB SER 34 1HB SER 34 2.500 4.552 -8.863 97 2HB SER 34 2HB SER 34 2.950 5.243 -10.437 98 HG SER 34 HG SER 34 0.830 5.825 -10.082 99 H CYS 35 H CYS 35 3.708 2.109 -8.419 100 HA CYS 35 HA CYS 35 6.344 1.848 -9.813 101 1HB CYS 35 1HB CYS 35 6.178 2.209 -6.819 102 2HB CYS 35 2HB CYS 35 7.535 2.402 -7.910 103 H HIS 36 H HIS 36 4.121 0.478 -7.332 104 HA HIS 36 HA HIS 36 5.732 -1.875 -6.951 105 1HB HIS 36 1HB HIS 36 2.891 -1.142 -6.227 106 2HB HIS 36 2HB HIS 36 3.639 -2.686 -5.797 107 HD1 HIS 36 1HD HIS 36 5.707 -2.636 -4.049 108 HD2 HIS 36 2HD HIS 36 3.675 1.012 -4.703 109 HE1 HIS 36 1HE HIS 36 6.358 -1.070 -2.154 110 H GLY 37 H GLY 37 3.583 -1.081 -9.550 111 1HA GLY 37 1HA GLY 37 3.457 -2.291 -11.522 112 2HA GLY 37 2HA GLY 37 3.999 -3.775 -10.717 113 H GLY 38 H GLY 38 1.680 -3.576 -12.427 114 1HA GLY 38 1HA GLY 38 -0.779 -3.001 -11.487 115 2HA GLY 38 2HA GLY 38 -0.464 -4.404 -12.507 116 H ASP 39 H ASP 39 0.628 -6.294 -11.029 117 HA ASP 39 HA ASP 39 -1.471 -7.026 -9.128 118 1HB ASP 39 1HB ASP 39 0.884 -8.439 -10.410 119 2HB ASP 39 2HB ASP 39 0.052 -9.143 -9.018 120 H LEU 40 H LEU 40 1.136 -5.062 -8.656 121 HA LEU 40 HA LEU 40 2.413 -4.427 -6.880 122 1HB LEU 40 1HB LEU 40 0.268 -5.790 -5.234 123 2HB LEU 40 2HB LEU 40 1.423 -4.568 -4.707 124 HG LEU 40 HG LEU 40 0.139 -3.591 -7.122 125 1HD1 LEU 40 1HD1 LEU 40 -1.816 -4.470 -4.977 126 2HD1 LEU 40 2HD1 LEU 40 -2.169 -3.415 -6.365 127 3HD1 LEU 40 3HD1 LEU 40 -1.718 -5.111 -6.631 128 1HD2 LEU 40 1HD2 LEU 40 1.194 -2.286 -5.250 129 2HD2 LEU 40 2HD2 LEU 40 -0.350 -1.692 -5.883 130 3HD2 LEU 40 3HD2 LEU 40 -0.311 -2.602 -4.355 131 H THR 41 H THR 41 2.916 -6.943 -8.240 132 HA THR 41 HA THR 41 4.209 -8.779 -6.449 133 HB THR 41 HB THR 41 5.005 -9.472 -8.894 134 HG1 THR 41 1HG THR 41 3.493 -8.600 -10.432 135 1HG2 THR 41 1HG2 THR 41 2.097 -9.516 -7.961 136 2HG2 THR 41 2HG2 THR 41 2.727 -10.488 -9.308 137 3HG2 THR 41 3HG2 THR 41 3.335 -10.748 -7.662 138 H GLY 42 H GLY 42 5.023 -5.635 -7.707 139 1HA GLY 42 1HA GLY 42 6.729 -4.549 -6.673 140 2HA GLY 42 2HA GLY 42 7.681 -6.028 -6.476 141 H ALA 43 H ALA 43 6.520 -3.706 -8.907 142 HA ALA 43 HA ALA 43 8.517 -4.554 -10.888 143 1HB ALA 43 1HB ALA 43 6.495 -2.285 -10.886 144 2HB ALA 43 2HB ALA 43 7.590 -2.677 -12.230 145 3HB ALA 43 3HB ALA 43 6.381 -3.856 -11.690 146 H SER 44 H SER 44 7.990 -1.168 -9.907 147 HA SER 44 HA SER 44 10.921 -0.680 -9.858 148 1HB SER 44 1HB SER 44 8.536 1.202 -9.833 149 2HB SER 44 2HB SER 44 10.231 1.704 -9.823 150 HG SER 44 HG SER 44 9.141 -0.007 -11.809 151 H ALA 45 H ALA 45 8.799 -1.837 -7.666 152 HA ALA 45 HA ALA 45 10.128 -0.684 -5.317 153 1HB ALA 45 1HB ALA 45 7.113 -0.661 -5.805 154 2HB ALA 45 2HB ALA 45 7.906 -0.209 -4.296 155 3HB ALA 45 3HB ALA 45 8.139 0.768 -5.754 156 HA PRO 46 HA PRO 46 9.812 -4.990 -4.399 157 1HB PRO 46 1HB PRO 46 9.325 -5.200 -1.693 158 2HB PRO 46 2HB PRO 46 10.871 -4.605 -2.368 159 1HG PRO 46 1HG PRO 46 8.493 -2.963 -1.480 160 2HG PRO 46 2HG PRO 46 10.194 -2.781 -0.948 161 1HD PRO 46 1HD PRO 46 9.186 -1.241 -2.918 162 2HD PRO 46 2HD PRO 46 10.821 -1.930 -3.133 163 H ALA 47 H ALA 47 8.384 -6.762 -3.644 164 HA ALA 47 HA ALA 47 5.739 -6.433 -4.648 165 1HB ALA 47 1HB ALA 47 6.869 -8.694 -2.933 166 2HB ALA 47 2HB ALA 47 5.449 -8.767 -3.998 167 3HB ALA 47 3HB ALA 47 7.076 -8.571 -4.684 168 H ILE 48 H ILE 48 4.007 -5.565 -3.585 169 HA ILE 48 HA ILE 48 3.913 -5.909 -0.622 170 HB ILE 48 HB ILE 48 2.677 -3.869 -0.305 171 1HG1 ILE 48 1HG1 ILE 48 3.210 -2.011 -2.067 172 2HG1 ILE 48 2HG1 ILE 48 3.251 -3.327 -3.229 173 1HG2 ILE 48 1HG2 ILE 48 5.358 -3.399 -1.541 174 2HG2 ILE 48 2HG2 ILE 48 4.472 -2.420 -0.326 175 3HG2 ILE 48 3HG2 ILE 48 5.053 -4.033 0.112 176 1HD1 ILE 48 1HD1 ILE 48 0.854 -3.805 -2.610 177 2HD1 ILE 48 2HD1 ILE 48 1.015 -2.709 -1.221 178 3HD1 ILE 48 3HD1 ILE 48 1.053 -2.032 -2.835 179 H ASP 49 H ASP 49 2.491 -7.008 -3.440 180 HA ASP 49 HA ASP 49 -0.181 -7.077 -2.609 181 1HB ASP 49 1HB ASP 49 -0.491 -8.408 -4.347 182 2HB ASP 49 2HB ASP 49 1.218 -8.211 -4.705 183 H LYS 50 H LYS 50 2.542 -8.840 -1.285 184 HA LYS 50 HA LYS 50 0.805 -10.184 0.733 185 1HB LYS 50 1HB LYS 50 3.206 -11.088 -0.716 186 2HB LYS 50 2HB LYS 50 3.356 -11.254 1.023 187 1HG LYS 50 1HG LYS 50 2.474 -13.267 0.227 188 2HG LYS 50 2HG LYS 50 1.177 -12.487 1.129 189 1HD LYS 50 1HD LYS 50 1.288 -11.883 -1.786 190 2HD LYS 50 2HD LYS 50 1.004 -13.570 -1.455 191 1HE LYS 50 1HE LYS 50 -0.732 -11.331 -0.271 192 2HE LYS 50 2HE LYS 50 -1.029 -12.084 -1.832 193 1HZ LYS 50 1HZ LYS 50 -2.346 -13.035 -0.120 194 2HZ LYS 50 2HZ LYS 50 -1.324 -14.188 -0.725 195 3HZ LYS 50 3HZ LYS 50 -1.089 -13.508 0.750 196 H ALA 51 H ALA 51 2.104 -7.274 0.590 197 HA ALA 51 HA ALA 51 3.776 -7.189 2.908 198 1HB ALA 51 1HB ALA 51 3.087 -4.791 3.048 199 2HB ALA 51 2HB ALA 51 3.803 -5.325 1.519 200 3HB ALA 51 3HB ALA 51 2.052 -5.079 1.634 201 H GLY 52 H GLY 52 0.132 -7.377 2.633 202 1HA GLY 52 1HA GLY 52 -0.401 -6.918 5.362 203 2HA GLY 52 2HA GLY 52 -1.297 -7.972 4.250 204 H ALA 53 H ALA 53 1.101 -9.723 3.786 205 HA ALA 53 HA ALA 53 0.605 -11.550 6.039 206 1HB ALA 53 1HB ALA 53 2.535 -11.881 3.700 207 2HB ALA 53 2HB ALA 53 1.920 -13.126 4.796 208 3HB ALA 53 3HB ALA 53 0.830 -12.355 3.633 209 H ASN 54 H ASN 54 3.202 -9.588 4.626 210 HA ASN 54 HA ASN 54 5.233 -10.492 6.477 211 1HB ASN 54 1HB ASN 54 5.152 -8.066 4.629 212 2HB ASN 54 2HB ASN 54 6.556 -8.592 5.556 213 1HD2 ASN 54 1HD2 ASN 54 4.461 -9.448 2.781 214 2HD2 ASN 54 2HD2 ASN 54 5.647 -10.551 2.106 215 H TYR 55 H TYR 55 3.172 -7.582 6.316 216 HA TYR 55 HA TYR 55 4.146 -6.622 8.966 217 1HB TYR 55 1HB TYR 55 3.419 -4.943 6.544 218 2HB TYR 55 2HB TYR 55 4.100 -4.376 8.068 219 HD1 TYR 55 1HD TYR 55 5.039 -3.897 5.124 220 HD2 TYR 55 2HD TYR 55 6.371 -6.459 8.330 221 HE1 TYR 55 1HE TYR 55 7.329 -3.950 4.154 222 HE2 TYR 55 2HE TYR 55 8.602 -6.589 7.303 223 HH TYR 55 HH TYR 55 9.971 -5.870 5.587 224 H SER 56 H SER 56 2.558 -5.093 9.946 225 HA SER 56 HA SER 56 -0.217 -6.107 9.558 226 1HB SER 56 1HB SER 56 1.187 -4.631 11.816 227 2HB SER 56 2HB SER 56 -0.561 -4.912 11.781 228 HG SER 56 HG SER 56 0.564 -6.515 12.908 229 H GLU 57 H GLU 57 -2.004 -4.510 9.693 230 HA GLU 57 HA GLU 57 -1.817 -2.568 7.727 231 1HB GLU 57 1HB GLU 57 -3.938 -1.657 8.592 232 2HB GLU 57 2HB GLU 57 -3.976 -3.397 8.365 233 1HG GLU 57 1HG GLU 57 -3.668 -3.718 10.829 234 2HG GLU 57 2HG GLU 57 -3.658 -1.953 11.033 235 H GLU 58 H GLU 58 -1.311 -2.101 11.255 236 HA GLU 58 HA GLU 58 -0.995 0.657 11.327 237 1HB GLU 58 1HB GLU 58 0.403 0.239 13.326 238 2HB GLU 58 2HB GLU 58 -1.059 -0.744 13.279 239 1HG GLU 58 1HG GLU 58 0.600 -2.535 12.150 240 2HG GLU 58 2HG GLU 58 1.806 -1.589 13.040 241 H GLU 59 H GLU 59 1.676 -1.678 10.753 242 HA GLU 59 HA GLU 59 3.753 0.137 10.231 243 1HB GLU 59 1HB GLU 59 3.157 -2.637 9.116 244 2HB GLU 59 2HB GLU 59 4.722 -1.850 8.947 245 1HG GLU 59 1HG GLU 59 3.516 -2.382 11.695 246 2HG GLU 59 2HG GLU 59 4.457 -3.584 10.811 247 H ILE 60 H ILE 60 1.441 -1.410 8.013 248 HA ILE 60 HA ILE 60 2.672 -0.385 5.616 249 HB ILE 60 HB ILE 60 -0.148 -1.392 6.030 250 1HG1 ILE 60 1HG1 ILE 60 2.277 -2.959 5.034 251 2HG1 ILE 60 2HG1 ILE 60 1.720 -3.013 6.696 252 1HG2 ILE 60 1HG2 ILE 60 -0.495 -1.291 3.798 253 2HG2 ILE 60 2HG2 ILE 60 0.890 -0.185 3.732 254 3HG2 ILE 60 3HG2 ILE 60 1.114 -1.896 3.400 255 1HD1 ILE 60 1HD1 ILE 60 0.246 -4.015 4.273 256 2HD1 ILE 60 2HD1 ILE 60 0.807 -4.908 5.696 257 3HD1 ILE 60 3HD1 ILE 60 -0.547 -3.777 5.854 258 H LEU 61 H LEU 61 -0.128 0.594 7.567 259 HA LEU 61 HA LEU 61 -1.105 2.812 6.166 260 1HB LEU 61 1HB LEU 61 -2.187 1.737 8.078 261 2HB LEU 61 2HB LEU 61 -0.944 2.313 9.171 262 HG LEU 61 HG LEU 61 -1.614 4.630 8.823 263 1HD1 LEU 61 1HD1 LEU 61 -2.358 4.619 6.525 264 2HD1 LEU 61 2HD1 LEU 61 -3.608 3.407 6.889 265 3HD1 LEU 61 3HD1 LEU 61 -3.757 5.068 7.510 266 1HD2 LEU 61 1HD2 LEU 61 -3.991 2.805 9.383 267 2HD2 LEU 61 2HD2 LEU 61 -2.754 3.298 10.562 268 3HD2 LEU 61 3HD2 LEU 61 -3.844 4.510 9.861 269 H ASP 62 H ASP 62 1.320 2.677 8.823 270 HA ASP 62 HA ASP 62 1.895 5.471 8.656 271 1HB ASP 62 1HB ASP 62 2.981 3.214 10.146 272 2HB ASP 62 2HB ASP 62 4.291 4.201 9.496 273 H ILE 63 H ILE 63 3.303 2.648 6.940 274 HA ILE 63 HA ILE 63 5.361 4.215 5.656 275 HB ILE 63 HB ILE 63 4.121 1.509 5.159 276 1HG1 ILE 63 1HG1 ILE 63 7.005 2.403 5.569 277 2HG1 ILE 63 2HG1 ILE 63 5.898 2.036 6.900 278 1HG2 ILE 63 1HG2 ILE 63 4.359 2.189 2.903 279 2HG2 ILE 63 2HG2 ILE 63 5.927 2.985 3.211 280 3HG2 ILE 63 3HG2 ILE 63 5.783 1.230 3.282 281 1HD1 ILE 63 1HD1 ILE 63 7.228 0.090 6.517 282 2HD1 ILE 63 2HD1 ILE 63 5.579 -0.272 5.967 283 3HD1 ILE 63 3HD1 ILE 63 6.869 0.076 4.790 284 H ILE 64 H ILE 64 1.998 3.502 4.674 285 HA ILE 64 HA ILE 64 2.156 4.747 2.102 286 HB ILE 64 HB ILE 64 -0.152 4.353 4.038 287 1HG1 ILE 64 1HG1 ILE 64 0.274 2.852 1.465 288 2HG1 ILE 64 2HG1 ILE 64 1.276 2.390 2.840 289 1HG2 ILE 64 1HG2 ILE 64 -0.134 5.263 1.138 290 2HG2 ILE 64 2HG2 ILE 64 -1.574 4.616 1.950 291 3HG2 ILE 64 3HG2 ILE 64 -0.833 6.114 2.529 292 1HD1 ILE 64 1HD1 ILE 64 -0.671 1.984 4.236 293 2HD1 ILE 64 2HD1 ILE 64 -1.758 2.512 2.963 294 3HD1 ILE 64 3HD1 ILE 64 -0.745 1.047 2.760 295 H LEU 65 H LEU 65 1.257 6.006 5.322 296 HA LEU 65 HA LEU 65 0.773 8.692 4.444 297 1HB LEU 65 1HB LEU 65 1.440 7.488 7.145 298 2HB LEU 65 2HB LEU 65 0.949 9.165 6.929 299 HG LEU 65 HG LEU 65 -0.855 6.883 5.944 300 1HD1 LEU 65 1HD1 LEU 65 -2.016 7.033 8.103 301 2HD1 LEU 65 2HD1 LEU 65 -0.334 6.535 8.364 302 3HD1 LEU 65 3HD1 LEU 65 -0.821 8.206 8.699 303 1HD2 LEU 65 1HD2 LEU 65 -1.351 9.150 5.134 304 2HD2 LEU 65 2HD2 LEU 65 -2.588 8.562 6.271 305 3HD2 LEU 65 3HD2 LEU 65 -1.390 9.757 6.803 306 H ASN 66 H ASN 66 3.700 7.041 5.549 307 HA ASN 66 HA ASN 66 5.206 9.561 5.903 308 1HB ASN 66 1HB ASN 66 5.773 6.643 6.578 309 2HB ASN 66 2HB ASN 66 6.987 7.884 6.693 310 1HD2 ASN 66 1HD2 ASN 66 3.686 7.196 7.801 311 2HD2 ASN 66 2HD2 ASN 66 3.972 7.571 9.467 312 H GLY 67 H GLY 67 5.628 6.432 4.176 313 1HA GLY 67 1HA GLY 67 6.552 6.562 1.855 314 2HA GLY 67 2HA GLY 67 7.839 7.575 2.534 315 H GLN 68 H GLN 68 9.126 5.797 1.619 316 HA GLN 68 HA GLN 68 10.245 4.148 3.591 317 1HB GLN 68 1HB GLN 68 8.406 2.350 2.978 318 2HB GLN 68 2HB GLN 68 8.792 2.696 1.316 319 1HG GLN 68 1HG GLN 68 9.757 0.656 2.081 320 2HG GLN 68 2HG GLN 68 11.067 1.752 1.646 321 1HE2 GLN 68 1HE2 GLN 68 10.619 -0.713 3.462 322 2HE2 GLN 68 2HE2 GLN 68 11.474 -0.226 4.917 323 H GLY 69 H GLY 69 12.433 4.385 2.890 324 1HA GLY 69 1HA GLY 69 14.190 4.894 1.466 325 2HA GLY 69 2HA GLY 69 13.535 3.536 0.550 326 H GLY 70 H GLY 70 13.028 3.985 -1.609 327 1HA GLY 70 1HA GLY 70 13.249 6.676 -2.634 328 2HA GLY 70 2HA GLY 70 12.848 5.195 -3.511 329 H MET 71 H MET 71 10.554 4.961 -1.309 330 HA MET 71 HA MET 71 8.468 5.829 -3.035 331 1HB MET 71 1HB MET 71 8.448 3.944 -1.364 332 2HB MET 71 2HB MET 71 8.401 5.118 -0.091 333 1HG MET 71 1HG MET 71 6.296 5.883 -0.543 334 2HG MET 71 2HG MET 71 6.182 5.094 -2.111 335 1HE MET 71 1HE MET 71 4.519 5.049 1.006 336 2HE MET 71 2HE MET 71 3.768 4.657 -0.557 337 3HE MET 71 3HE MET 71 3.736 3.473 0.771 338 HA PRO 72 HA PRO 72 8.563 10.099 -1.611 339 1HB PRO 72 1HB PRO 72 6.153 11.029 -2.586 340 2HB PRO 72 2HB PRO 72 7.580 10.699 -3.612 341 1HG PRO 72 1HG PRO 72 5.245 8.853 -3.065 342 2HG PRO 72 2HG PRO 72 5.939 9.292 -4.655 343 1HD PRO 72 1HD PRO 72 6.640 7.002 -3.452 344 2HD PRO 72 2HD PRO 72 7.915 8.014 -4.212 345 H GLY 73 H GLY 73 5.626 8.187 -1.045 346 1HA GLY 73 1HA GLY 73 4.520 7.808 0.964 347 2HA GLY 73 2HA GLY 73 5.586 8.973 1.767 348 H GLY 74 H GLY 74 2.853 8.846 2.229 349 1HA GLY 74 1HA GLY 74 1.099 10.277 2.570 350 2HA GLY 74 2HA GLY 74 2.079 11.601 1.915 351 H ILE 75 H ILE 75 1.742 8.810 -0.060 352 HA ILE 75 HA ILE 75 0.502 10.084 -2.279 353 HB ILE 75 HB ILE 75 1.060 7.211 -1.436 354 1HG1 ILE 75 1HG1 ILE 75 3.019 8.629 -2.023 355 2HG1 ILE 75 2HG1 ILE 75 2.809 7.214 -3.052 356 1HG2 ILE 75 1HG2 ILE 75 -0.240 8.103 -4.008 357 2HG2 ILE 75 2HG2 ILE 75 0.610 6.552 -3.826 358 3HG2 ILE 75 3HG2 ILE 75 -0.810 6.896 -2.835 359 1HD1 ILE 75 1HD1 ILE 75 1.772 8.682 -4.822 360 2HD1 ILE 75 2HD1 ILE 75 2.133 10.094 -3.801 361 3HD1 ILE 75 3HD1 ILE 75 3.436 9.092 -4.444 362 H ALA 76 H ALA 76 -0.740 8.333 0.481 363 HA ALA 76 HA ALA 76 -3.550 8.878 -0.261 364 1HB ALA 76 1HB ALA 76 -3.670 6.440 1.022 365 2HB ALA 76 2HB ALA 76 -3.650 6.612 -0.752 366 3HB ALA 76 3HB ALA 76 -2.170 6.235 0.136 367 H LYS 77 H LYS 77 -4.721 9.506 1.700 368 HA LYS 77 HA LYS 77 -3.425 9.109 4.246 369 1HB LYS 77 1HB LYS 77 -3.754 11.537 4.780 370 2HB LYS 77 2HB LYS 77 -2.364 11.119 3.778 371 1HG LYS 77 1HG LYS 77 -4.589 11.766 2.019 372 2HG LYS 77 2HG LYS 77 -4.515 13.009 3.258 373 1HD LYS 77 1HD LYS 77 -2.133 12.035 1.626 374 2HD LYS 77 2HD LYS 77 -3.090 13.459 1.206 375 1HE LYS 77 1HE LYS 77 -2.283 14.753 2.951 376 2HE LYS 77 2HE LYS 77 -1.992 13.384 4.020 377 1HZ LYS 77 1HZ LYS 77 -0.088 12.790 2.762 378 2HZ LYS 77 2HZ LYS 77 -0.336 13.983 1.665 379 3HZ LYS 77 3HZ LYS 77 0.044 14.361 3.226 380 H GLY 78 H GLY 78 -4.813 9.575 6.058 381 1HA GLY 78 1HA GLY 78 -6.791 9.151 7.125 382 2HA GLY 78 2HA GLY 78 -7.557 10.195 5.908 383 H ALA 79 H ALA 79 -9.352 8.969 5.430 384 HA ALA 79 HA ALA 79 -9.783 6.331 5.384 385 1HB ALA 79 1HB ALA 79 -11.517 8.005 4.972 386 2HB ALA 79 2HB ALA 79 -10.887 8.285 3.331 387 3HB ALA 79 3HB ALA 79 -11.586 6.706 3.767 388 H GLU 80 H GLU 80 -8.163 8.061 2.677 389 HA GLU 80 HA GLU 80 -8.027 5.869 0.861 390 1HB GLU 80 1HB GLU 80 -6.619 8.474 1.250 391 2HB GLU 80 2HB GLU 80 -5.615 7.213 0.596 392 1HG GLU 80 1HG GLU 80 -6.263 7.860 -1.378 393 2HG GLU 80 2HG GLU 80 -7.727 6.937 -1.080 394 H ALA 81 H ALA 81 -5.595 6.899 3.377 395 HA ALA 81 HA ALA 81 -3.893 4.663 2.745 396 1HB ALA 81 1HB ALA 81 -2.517 5.481 4.524 397 2HB ALA 81 2HB ALA 81 -3.098 6.856 3.598 398 3HB ALA 81 3HB ALA 81 -3.837 6.493 5.171 399 H GLU 82 H GLU 82 -6.331 5.387 5.241 400 HA GLU 82 HA GLU 82 -5.903 3.133 6.940 401 1HB GLU 82 1HB GLU 82 -8.391 4.757 6.269 402 2HB GLU 82 2HB GLU 82 -8.314 3.564 7.566 403 1HG GLU 82 1HG GLU 82 -6.601 4.822 8.733 404 2HG GLU 82 2HG GLU 82 -6.446 5.978 7.407 405 H ALA 83 H ALA 83 -8.206 3.625 4.213 406 HA ALA 83 HA ALA 83 -9.220 0.991 4.194 407 1HB ALA 83 1HB ALA 83 -10.270 2.936 3.064 408 2HB ALA 83 2HB ALA 83 -8.986 2.899 1.829 409 3HB ALA 83 3HB ALA 83 -10.114 1.539 2.012 410 H VAL 84 H VAL 84 -6.540 2.462 2.243 411 HA VAL 84 HA VAL 84 -5.623 0.194 0.886 412 HB VAL 84 HB VAL 84 -4.026 2.417 2.202 413 1HG1 VAL 84 1HG1 VAL 84 -2.584 0.397 1.935 414 2HG1 VAL 84 2HG1 VAL 84 -3.032 0.339 0.239 415 3HG1 VAL 84 3HG1 VAL 84 -2.140 1.734 0.869 416 1HG2 VAL 84 1HG2 VAL 84 -4.480 3.639 0.395 417 2HG2 VAL 84 2HG2 VAL 84 -3.713 2.431 -0.614 418 3HG2 VAL 84 3HG2 VAL 84 -5.466 2.326 -0.302 419 H ALA 85 H ALA 85 -4.382 1.238 4.135 420 HA ALA 85 HA ALA 85 -2.705 -0.971 4.507 421 1HB ALA 85 1HB ALA 85 -2.647 1.102 5.792 422 2HB ALA 85 2HB ALA 85 -4.157 0.661 6.624 423 3HB ALA 85 3HB ALA 85 -2.700 -0.335 6.832 424 H ALA 86 H ALA 86 -6.093 -0.569 5.680 425 HA ALA 86 HA ALA 86 -6.285 -3.077 6.988 426 1HB ALA 86 1HB ALA 86 -8.452 -1.418 5.628 427 2HB ALA 86 2HB ALA 86 -8.721 -2.734 6.796 428 3HB ALA 86 3HB ALA 86 -7.884 -1.254 7.305 429 H TRP 87 H TRP 87 -7.273 -2.169 3.635 430 HA TRP 87 HA TRP 87 -8.083 -4.750 2.759 431 1HB TRP 87 1HB TRP 87 -8.677 -2.897 1.468 432 2HB TRP 87 2HB TRP 87 -7.019 -2.283 1.472 433 HD1 TRP 87 HD TRP 87 -9.174 -4.635 -0.606 434 HE1 TRP 87 1HE TRP 87 -7.826 -5.427 -2.615 435 HE3 TRP 87 3HE TRP 87 -4.792 -2.263 0.421 436 HZ2 TRP 87 2HZ TRP 87 -4.871 -5.184 -3.504 437 HZ3 TRP 87 3HZ TRP 87 -2.896 -2.429 -1.127 438 HH2 TRP 87 HH TRP 87 -2.912 -4.033 -2.979 439 H LEU 88 H LEU 88 -4.875 -3.186 2.766 440 HA LEU 88 HA LEU 88 -3.535 -5.230 1.336 441 1HB LEU 88 1HB LEU 88 -2.806 -2.775 2.622 442 2HB LEU 88 2HB LEU 88 -1.720 -3.992 3.228 443 HG LEU 88 HG LEU 88 -2.184 -3.995 0.245 444 1HD1 LEU 88 1HD1 LEU 88 -0.910 -2.270 -0.337 445 2HD1 LEU 88 2HD1 LEU 88 -2.132 -1.661 0.761 446 3HD1 LEU 88 3HD1 LEU 88 -0.457 -1.853 1.355 447 1HD2 LEU 88 1HD2 LEU 88 0.321 -4.234 0.425 448 2HD2 LEU 88 2HD2 LEU 88 -0.167 -5.057 1.939 449 3HD2 LEU 88 3HD2 LEU 88 -0.885 -5.543 0.366 450 H ALA 89 H ALA 89 -3.893 -4.688 4.828 451 HA ALA 89 HA ALA 89 -2.621 -7.038 5.798 452 1HB ALA 89 1HB ALA 89 -3.934 -6.737 7.803 453 2HB ALA 89 2HB ALA 89 -3.294 -5.191 7.219 454 3HB ALA 89 3HB ALA 89 -5.011 -5.593 6.978 455 H GLU 90 H GLU 90 -5.944 -6.492 4.617 456 HA GLU 90 HA GLU 90 -6.805 -9.196 5.076 457 1HB GLU 90 1HB GLU 90 -8.192 -7.186 5.103 458 2HB GLU 90 2HB GLU 90 -7.975 -6.966 3.375 459 1HG GLU 90 1HG GLU 90 -9.156 -9.541 4.496 460 2HG GLU 90 2HG GLU 90 -10.145 -8.093 4.276 461 H LYS 91 H LYS 91 -4.848 -7.814 2.543 462 HA LYS 91 HA LYS 91 -5.704 -9.492 0.377 463 1HB LYS 91 1HB LYS 91 -4.136 -7.227 0.790 464 2HB LYS 91 2HB LYS 91 -2.919 -8.375 0.313 465 1HG LYS 91 1HG LYS 91 -5.444 -8.077 -1.362 466 2HG LYS 91 2HG LYS 91 -4.353 -6.711 -1.249 467 1HD LYS 91 1HD LYS 91 -3.893 -8.000 -3.242 468 2HD LYS 91 2HD LYS 91 -2.490 -7.889 -2.171 469 1HE LYS 91 1HE LYS 91 -2.633 -10.124 -1.476 470 2HE LYS 91 2HE LYS 91 -4.333 -10.275 -1.967 471 1HZ LYS 91 1HZ LYS 91 -3.097 -11.430 -3.537 472 2HZ LYS 91 2HZ LYS 91 -3.461 -10.030 -4.308 473 3HZ LYS 91 3HZ LYS 91 -1.941 -10.302 -3.696 474 H LYS 92 H LYS 92 -3.963 -10.199 3.166 475 HA LYS 92 HA LYS 92 -1.654 -11.354 2.125 476 1HB LYS 92 1HB LYS 92 -1.174 -11.855 4.394 477 2HB LYS 92 2HB LYS 92 -1.972 -10.270 4.226 478 1HG LYS 92 1HG LYS 92 -4.132 -11.348 4.951 479 2HG LYS 92 2HG LYS 92 -3.288 -12.885 5.146 480 1HD LYS 92 1HD LYS 92 -1.842 -11.963 6.869 481 2HD LYS 92 2HD LYS 92 -2.486 -10.340 6.624 482 1HE LYS 92 1HE LYS 92 -4.307 -10.671 7.894 483 2HE LYS 92 2HE LYS 92 -4.679 -12.223 7.138 484 1HZ LYS 92 1HZ LYS 92 -4.195 -12.473 9.455 485 2HZ LYS 92 2HZ LYS 92 -3.069 -13.262 8.551 486 3HZ LYS 92 3HZ LYS 92 -2.691 -11.825 9.269 487 HHA HEC 93 HHA HEC 93 8.548 -0.086 0.486 488 HHB HEC 93 HHB HEC 93 2.127 0.044 0.787 489 HHC HEC 93 HHC HEC 93 2.232 4.428 -3.939 490 HHD HEC 93 HHD HEC 93 8.464 3.313 -4.874 491 1HMA HEC 93 1HMA HEC 93 3.275 -2.039 2.074 492 2HMA HEC 93 2HMA HEC 93 4.560 -1.879 3.281 493 3HMA HEC 93 3HMA HEC 93 3.334 -0.611 3.141 494 1HAA HEC 93 1HAA HEC 93 6.792 -1.786 3.171 495 2HAA HEC 93 2HAA HEC 93 7.905 -0.590 2.630 496 1HBA HEC 93 1HBA HEC 93 7.875 -2.062 0.454 497 2HBA HEC 93 2HBA HEC 93 7.246 -3.331 1.504 498 1HMB HEC 93 1HMB HEC 93 -0.946 1.310 -0.958 499 2HMB HEC 93 2HMB HEC 93 0.076 -0.114 -1.063 500 3HMB HEC 93 3HMB HEC 93 -0.008 0.800 0.452 501 HAB HEC 93 HAB HEC 93 0.267 4.186 -3.327 502 1HBB HEC 93 1HBB HEC 93 -1.817 4.488 -2.051 503 2HBB HEC 93 2HBB HEC 93 -1.175 3.470 -0.754 504 3HBB HEC 93 3HBB HEC 93 -0.362 4.983 -1.166 505 1HMC HEC 93 1HMC HEC 93 3.098 6.118 -5.348 506 2HMC HEC 93 2HMC HEC 93 4.243 6.054 -6.692 507 3HMC HEC 93 3HMC HEC 93 3.063 4.757 -6.487 508 HAC HEC 93 HAC HEC 93 7.817 4.480 -6.479 509 1HBC HEC 93 1HBC HEC 93 7.912 6.664 -5.912 510 2HBC HEC 93 2HBC HEC 93 7.267 6.747 -7.549 511 3HBC HEC 93 3HBC HEC 93 6.182 6.981 -6.160 512 1HMD HEC 93 1HMD HEC 93 11.178 0.941 -3.957 513 2HMD HEC 93 2HMD HEC 93 10.115 1.893 -4.974 514 3HMD HEC 93 3HMD HEC 93 11.175 2.718 -3.803 515 1HAD HEC 93 1HAD HEC 93 10.847 -0.557 -1.229 516 2HAD HEC 93 2HAD HEC 93 10.458 0.411 0.063 517 1HBD HEC 93 1HBD HEC 93 12.624 0.840 -0.043 518 2HBD HEC 93 2HBD HEC 93 11.776 2.301 -0.537 Start of MODEL 2 1 1H VAL 22 1H VAL 22 -14.406 4.468 -1.058 2 2H VAL 22 2H VAL 22 -13.823 4.657 0.473 3 3H VAL 22 3H VAL 22 -14.513 5.960 -0.317 4 HA VAL 22 HA VAL 22 -12.815 5.782 -2.005 5 HB VAL 22 HB VAL 22 -11.362 5.971 0.672 6 1HG1 VAL 22 1HG1 VAL 22 -10.941 7.210 -2.094 7 2HG1 VAL 22 2HG1 VAL 22 -9.932 7.499 -0.668 8 3HG1 VAL 22 3HG1 VAL 22 -9.990 5.888 -1.394 9 1HG2 VAL 22 1HG2 VAL 22 -13.246 7.501 0.890 10 2HG2 VAL 22 2HG2 VAL 22 -11.774 8.417 0.541 11 3HG2 VAL 22 3HG2 VAL 22 -12.961 8.144 -0.751 12 H ASP 23 H ASP 23 -12.289 4.007 -3.039 13 HA ASP 23 HA ASP 23 -12.704 1.708 -1.430 14 1HB ASP 23 1HB ASP 23 -12.782 2.213 -4.410 15 2HB ASP 23 2HB ASP 23 -13.352 0.755 -3.594 16 H ALA 24 H ALA 24 -11.181 0.503 -0.657 17 HA ALA 24 HA ALA 24 -8.648 1.251 -0.643 18 1HB ALA 24 1HB ALA 24 -8.073 -0.762 0.443 19 2HB ALA 24 2HB ALA 24 -9.718 -0.336 0.949 20 3HB ALA 24 3HB ALA 24 -9.478 -1.634 -0.237 21 H GLU 25 H GLU 25 -9.651 -1.606 -2.632 22 HA GLU 25 HA GLU 25 -7.023 -1.925 -3.698 23 1HB GLU 25 1HB GLU 25 -7.836 -3.589 -5.041 24 2HB GLU 25 2HB GLU 25 -8.992 -3.621 -3.707 25 1HG GLU 25 1HG GLU 25 -10.538 -2.232 -5.099 26 2HG GLU 25 2HG GLU 25 -9.374 -2.377 -6.470 27 H ALA 26 H ALA 26 -9.863 -0.029 -4.773 28 HA ALA 26 HA ALA 26 -8.915 0.681 -7.345 29 1HB ALA 26 1HB ALA 26 -10.582 2.379 -7.361 30 2HB ALA 26 2HB ALA 26 -11.273 0.974 -6.525 31 3HB ALA 26 3HB ALA 26 -10.718 2.392 -5.601 32 H VAL 27 H VAL 27 -8.449 2.203 -4.135 33 HA VAL 27 HA VAL 27 -6.810 4.412 -4.981 34 HB VAL 27 HB VAL 27 -6.546 2.724 -2.449 35 1HG1 VAL 27 1HG1 VAL 27 -4.460 3.940 -2.873 36 2HG1 VAL 27 2HG1 VAL 27 -5.369 5.438 -3.170 37 3HG1 VAL 27 3HG1 VAL 27 -5.349 4.706 -1.558 38 1HG2 VAL 27 1HG2 VAL 27 -7.925 5.397 -2.930 39 2HG2 VAL 27 2HG2 VAL 27 -8.752 3.854 -2.629 40 3HG2 VAL 27 3HG2 VAL 27 -7.743 4.574 -1.367 41 H VAL 28 H VAL 28 -5.710 1.044 -4.007 42 HA VAL 28 HA VAL 28 -3.108 1.884 -4.712 43 HB VAL 28 HB VAL 28 -4.248 -0.876 -4.188 44 1HG1 VAL 28 1HG1 VAL 28 -1.899 -0.835 -5.323 45 2HG1 VAL 28 2HG1 VAL 28 -1.335 -0.220 -3.741 46 3HG1 VAL 28 3HG1 VAL 28 -2.086 -1.755 -3.840 47 1HG2 VAL 28 1HG2 VAL 28 -2.738 0.045 -1.987 48 2HG2 VAL 28 2HG2 VAL 28 -3.504 1.501 -2.546 49 3HG2 VAL 28 3HG2 VAL 28 -4.514 0.108 -2.138 50 H GLN 29 H GLN 29 -5.426 0.090 -6.476 51 HA GLN 29 HA GLN 29 -4.012 -0.414 -8.887 52 1HB GLN 29 1HB GLN 29 -6.952 -0.234 -8.119 53 2HB GLN 29 2HB GLN 29 -6.475 -0.730 -9.710 54 1HG GLN 29 1HG GLN 29 -5.685 -2.154 -7.147 55 2HG GLN 29 2HG GLN 29 -6.890 -2.682 -8.325 56 1HE2 GLN 29 1HE2 GLN 29 -4.171 -3.858 -7.359 57 2HE2 GLN 29 2HE2 GLN 29 -3.288 -4.126 -8.856 58 H GLN 30 H GLN 30 -4.778 2.622 -7.625 59 HA GLN 30 HA GLN 30 -4.055 3.659 -10.326 60 1HB GLN 30 1HB GLN 30 -6.469 4.199 -9.074 61 2HB GLN 30 2HB GLN 30 -5.477 5.572 -8.566 62 1HG GLN 30 1HG GLN 30 -4.810 5.852 -11.023 63 2HG GLN 30 2HG GLN 30 -6.022 4.622 -11.416 64 1HE2 GLN 30 1HE2 GLN 30 -8.131 5.353 -9.664 65 2HE2 GLN 30 2HE2 GLN 30 -8.702 6.940 -10.156 66 H LYS 31 H LYS 31 -3.341 3.718 -6.895 67 HA LYS 31 HA LYS 31 -1.752 6.191 -7.148 68 1HB LYS 31 1HB LYS 31 -3.629 5.266 -5.273 69 2HB LYS 31 2HB LYS 31 -2.116 4.965 -4.482 70 1HG LYS 31 1HG LYS 31 -2.823 7.082 -3.818 71 2HG LYS 31 2HG LYS 31 -1.567 7.451 -5.007 72 1HD LYS 31 1HD LYS 31 -3.104 8.218 -6.597 73 2HD LYS 31 2HD LYS 31 -4.425 7.208 -5.974 74 1HE LYS 31 1HE LYS 31 -4.600 8.553 -3.943 75 2HE LYS 31 2HE LYS 31 -3.269 9.599 -4.456 76 1HZ LYS 31 1HZ LYS 31 -5.840 9.290 -5.866 77 2HZ LYS 31 2HZ LYS 31 -5.461 10.502 -4.830 78 3HZ LYS 31 3HZ LYS 31 -4.637 10.354 -6.255 79 H CYS 32 H CYS 32 -1.364 2.716 -6.628 80 HA CYS 32 HA CYS 32 1.452 3.138 -5.702 81 1HB CYS 32 1HB CYS 32 -0.222 0.748 -5.217 82 2HB CYS 32 2HB CYS 32 1.159 1.259 -4.275 83 H ILE 33 H ILE 33 -0.701 1.071 -7.680 84 HA ILE 33 HA ILE 33 1.160 -0.756 -8.637 85 HB ILE 33 HB ILE 33 -0.152 -0.838 -10.715 86 1HG1 ILE 33 1HG1 ILE 33 -2.017 1.265 -9.566 87 2HG1 ILE 33 2HG1 ILE 33 -0.779 1.641 -10.765 88 1HG2 ILE 33 1HG2 ILE 33 -2.216 -1.697 -9.675 89 2HG2 ILE 33 2HG2 ILE 33 -0.784 -2.180 -8.795 90 3HG2 ILE 33 3HG2 ILE 33 -1.796 -0.880 -8.157 91 1HD1 ILE 33 1HD1 ILE 33 -1.713 -0.040 -12.318 92 2HD1 ILE 33 2HD1 ILE 33 -3.060 -0.311 -11.195 93 3HD1 ILE 33 3HD1 ILE 33 -2.825 1.281 -11.934 94 H SER 34 H SER 34 0.833 2.649 -9.501 95 HA SER 34 HA SER 34 2.285 3.157 -11.651 96 1HB SER 34 1HB SER 34 2.815 4.570 -9.023 97 2HB SER 34 2HB SER 34 2.600 5.263 -10.644 98 HG SER 34 HG SER 34 0.685 5.488 -9.358 99 H CYS 35 H CYS 35 3.692 2.103 -8.508 100 HA CYS 35 HA CYS 35 6.333 1.796 -9.897 101 1HB CYS 35 1HB CYS 35 6.166 2.199 -6.905 102 2HB CYS 35 2HB CYS 35 7.527 2.343 -7.991 103 H HIS 36 H HIS 36 4.066 0.451 -7.435 104 HA HIS 36 HA HIS 36 5.699 -1.901 -7.038 105 1HB HIS 36 1HB HIS 36 2.876 -1.159 -6.258 106 2HB HIS 36 2HB HIS 36 3.625 -2.713 -5.851 107 HD1 HIS 36 1HD HIS 36 5.722 -2.671 -4.123 108 HD2 HIS 36 2HD HIS 36 3.695 0.986 -4.786 109 HE1 HIS 36 1HE HIS 36 6.392 -1.095 -2.249 110 H GLY 37 H GLY 37 3.488 -1.108 -9.585 111 1HA GLY 37 1HA GLY 37 3.310 -2.333 -11.543 112 2HA GLY 37 2HA GLY 37 3.836 -3.820 -10.736 113 H GLY 38 H GLY 38 1.489 -3.475 -12.418 114 1HA GLY 38 1HA GLY 38 -0.952 -2.931 -11.393 115 2HA GLY 38 2HA GLY 38 -0.661 -4.268 -12.504 116 H ASP 39 H ASP 39 0.551 -6.186 -11.123 117 HA ASP 39 HA ASP 39 -1.544 -7.089 -9.287 118 1HB ASP 39 1HB ASP 39 -0.667 -8.476 -11.176 119 2HB ASP 39 2HB ASP 39 0.893 -8.568 -10.338 120 H LEU 40 H LEU 40 1.085 -5.179 -8.746 121 HA LEU 40 HA LEU 40 2.258 -4.586 -6.854 122 1HB LEU 40 1HB LEU 40 0.044 -6.170 -5.519 123 2HB LEU 40 2HB LEU 40 1.065 -4.972 -4.771 124 HG LEU 40 HG LEU 40 -0.544 -4.239 -7.279 125 1HD1 LEU 40 1HD1 LEU 40 -1.582 -4.448 -4.480 126 2HD1 LEU 40 2HD1 LEU 40 -2.385 -3.521 -5.790 127 3HD1 LEU 40 3HD1 LEU 40 -2.182 -5.280 -5.929 128 1HD2 LEU 40 1HD2 LEU 40 1.224 -2.698 -6.079 129 2HD2 LEU 40 2HD2 LEU 40 -0.305 -2.043 -6.662 130 3HD2 LEU 40 3HD2 LEU 40 -0.130 -2.393 -4.968 131 H THR 41 H THR 41 2.893 -7.096 -8.295 132 HA THR 41 HA THR 41 4.263 -8.830 -6.439 133 HB THR 41 HB THR 41 4.979 -9.684 -8.825 134 HG1 THR 41 1HG THR 41 3.392 -8.896 -10.383 135 1HG2 THR 41 1HG2 THR 41 2.037 -9.608 -7.996 136 2HG2 THR 41 2HG2 THR 41 2.749 -10.744 -9.152 137 3HG2 THR 41 3HG2 THR 41 3.241 -10.788 -7.450 138 H GLY 42 H GLY 42 4.923 -5.704 -7.757 139 1HA GLY 42 1HA GLY 42 6.645 -4.550 -6.854 140 2HA GLY 42 2HA GLY 42 7.622 -6.007 -6.625 141 H ALA 43 H ALA 43 6.381 -3.779 -9.112 142 HA ALA 43 HA ALA 43 8.308 -4.657 -11.128 143 1HB ALA 43 1HB ALA 43 6.177 -3.819 -11.851 144 2HB ALA 43 2HB ALA 43 6.432 -2.262 -11.047 145 3HB ALA 43 3HB ALA 43 7.450 -2.726 -12.427 146 H SER 44 H SER 44 7.940 -1.301 -9.935 147 HA SER 44 HA SER 44 10.880 -0.909 -10.033 148 1HB SER 44 1HB SER 44 8.637 1.123 -9.775 149 2HB SER 44 2HB SER 44 10.339 1.442 -10.134 150 HG SER 44 HG SER 44 9.989 0.081 -12.048 151 H ALA 45 H ALA 45 8.788 -1.967 -7.766 152 HA ALA 45 HA ALA 45 10.212 -0.860 -5.445 153 1HB ALA 45 1HB ALA 45 7.186 -0.778 -5.869 154 2HB ALA 45 2HB ALA 45 8.020 -0.360 -4.368 155 3HB ALA 45 3HB ALA 45 8.237 0.636 -5.818 156 HA PRO 46 HA PRO 46 9.749 -5.171 -4.580 157 1HB PRO 46 1HB PRO 46 9.382 -5.407 -1.860 158 2HB PRO 46 2HB PRO 46 10.918 -4.883 -2.609 159 1HG PRO 46 1HG PRO 46 8.699 -3.128 -1.536 160 2HG PRO 46 2HG PRO 46 10.442 -3.039 -1.139 161 1HD PRO 46 1HD PRO 46 9.346 -1.428 -3.018 162 2HD PRO 46 2HD PRO 46 10.948 -2.159 -3.324 163 H ALA 47 H ALA 47 8.310 -6.889 -3.813 164 HA ALA 47 HA ALA 47 5.635 -6.482 -4.680 165 1HB ALA 47 1HB ALA 47 6.916 -8.632 -4.872 166 2HB ALA 47 2HB ALA 47 6.822 -8.822 -3.119 167 3HB ALA 47 3HB ALA 47 5.334 -8.834 -4.089 168 H ILE 48 H ILE 48 4.065 -5.500 -3.516 169 HA ILE 48 HA ILE 48 4.026 -5.876 -0.547 170 HB ILE 48 HB ILE 48 2.544 -3.891 -0.409 171 1HG1 ILE 48 1HG1 ILE 48 3.161 -2.171 -2.309 172 2HG1 ILE 48 2HG1 ILE 48 3.314 -3.594 -3.327 173 1HG2 ILE 48 1HG2 ILE 48 4.261 -2.340 -0.427 174 2HG2 ILE 48 2HG2 ILE 48 4.940 -3.871 0.154 175 3HG2 ILE 48 3HG2 ILE 48 5.269 -3.335 -1.531 176 1HD1 ILE 48 1HD1 ILE 48 0.945 -2.278 -2.130 177 2HD1 ILE 48 2HD1 ILE 48 1.100 -3.232 -3.593 178 3HD1 ILE 48 3HD1 ILE 48 0.876 -4.070 -2.064 179 H ASP 49 H ASP 49 2.657 -7.096 -3.340 180 HA ASP 49 HA ASP 49 0.110 -7.866 -2.662 181 1HB ASP 49 1HB ASP 49 0.882 -8.762 -4.623 182 2HB ASP 49 2HB ASP 49 2.474 -9.143 -3.975 183 H LYS 50 H LYS 50 3.093 -8.955 -1.031 184 HA LYS 50 HA LYS 50 1.476 -10.503 0.953 185 1HB LYS 50 1HB LYS 50 4.233 -10.880 -0.152 186 2HB LYS 50 2HB LYS 50 4.003 -11.241 1.558 187 1HG LYS 50 1HG LYS 50 3.635 -13.254 0.260 188 2HG LYS 50 2HG LYS 50 2.139 -12.766 1.079 189 1HD LYS 50 1HD LYS 50 1.367 -11.666 -1.003 190 2HD LYS 50 2HD LYS 50 2.875 -12.152 -1.809 191 1HE LYS 50 1HE LYS 50 2.117 -14.515 -1.606 192 2HE LYS 50 2HE LYS 50 0.672 -13.975 -0.718 193 1HZ LYS 50 1HZ LYS 50 0.067 -12.649 -2.663 194 2HZ LYS 50 2HZ LYS 50 1.372 -13.055 -3.431 195 3HZ LYS 50 3HZ LYS 50 0.234 -14.244 -3.130 196 H ALA 51 H ALA 51 2.282 -7.417 0.755 197 HA ALA 51 HA ALA 51 3.840 -6.837 3.018 198 1HB ALA 51 1HB ALA 51 2.669 -4.672 3.056 199 2HB ALA 51 2HB ALA 51 3.195 -5.145 1.434 200 3HB ALA 51 3HB ALA 51 1.481 -5.300 1.892 201 H GLY 52 H GLY 52 0.242 -7.545 2.894 202 1HA GLY 52 1HA GLY 52 -0.218 -7.148 5.647 203 2HA GLY 52 2HA GLY 52 -1.112 -8.232 4.570 204 H ALA 53 H ALA 53 1.375 -9.885 4.018 205 HA ALA 53 HA ALA 53 1.128 -11.693 6.319 206 1HB ALA 53 1HB ALA 53 3.063 -11.874 3.969 207 2HB ALA 53 2HB ALA 53 2.577 -13.150 5.088 208 3HB ALA 53 3HB ALA 53 1.414 -12.510 3.919 209 H ASN 54 H ASN 54 3.562 -9.611 4.782 210 HA ASN 54 HA ASN 54 5.686 -10.343 6.586 211 1HB ASN 54 1HB ASN 54 5.446 -7.956 4.713 212 2HB ASN 54 2HB ASN 54 6.940 -8.540 5.461 213 1HD2 ASN 54 1HD2 ASN 54 6.436 -8.248 2.597 214 2HD2 ASN 54 2HD2 ASN 54 6.577 -9.861 1.922 215 H TYR 55 H TYR 55 3.406 -7.642 6.470 216 HA TYR 55 HA TYR 55 4.442 -6.462 8.982 217 1HB TYR 55 1HB TYR 55 3.477 -4.868 6.593 218 2HB TYR 55 2HB TYR 55 4.360 -4.290 8.002 219 HD1 TYR 55 1HD TYR 55 4.713 -4.620 4.629 220 HD2 TYR 55 2HD TYR 55 6.761 -5.771 8.244 221 HE1 TYR 55 1HE TYR 55 6.851 -4.739 3.381 222 HE2 TYR 55 2HE TYR 55 8.884 -5.952 6.973 223 HH TYR 55 HH TYR 55 9.217 -4.910 3.596 224 H SER 56 H SER 56 2.733 -5.062 9.963 225 HA SER 56 HA SER 56 0.000 -6.199 9.499 226 1HB SER 56 1HB SER 56 1.203 -4.719 11.873 227 2HB SER 56 2HB SER 56 -0.443 -5.381 11.789 228 HG SER 56 HG SER 56 1.997 -6.812 11.513 229 H GLU 57 H GLU 57 -1.853 -4.753 9.560 230 HA GLU 57 HA GLU 57 -1.797 -2.777 7.673 231 1HB GLU 57 1HB GLU 57 -3.959 -1.948 8.665 232 2HB GLU 57 2HB GLU 57 -3.911 -3.617 8.203 233 1HG GLU 57 1HG GLU 57 -4.712 -4.127 10.221 234 2HG GLU 57 2HG GLU 57 -3.161 -3.705 10.949 235 H GLU 58 H GLU 58 -1.717 -2.065 11.195 236 HA GLU 58 HA GLU 58 -1.178 0.548 11.322 237 1HB GLU 58 1HB GLU 58 0.359 -0.026 13.274 238 2HB GLU 58 2HB GLU 58 -1.270 -0.703 13.293 239 1HG GLU 58 1HG GLU 58 -0.365 -2.894 12.458 240 2HG GLU 58 2HG GLU 58 1.268 -2.214 12.572 241 H GLU 59 H GLU 59 1.424 -1.802 10.467 242 HA GLU 59 HA GLU 59 3.509 0.195 10.287 243 1HB GLU 59 1HB GLU 59 3.244 -2.610 9.116 244 2HB GLU 59 2HB GLU 59 4.729 -1.668 9.108 245 1HG GLU 59 1HG GLU 59 4.813 -1.671 11.552 246 2HG GLU 59 2HG GLU 59 3.266 -2.525 11.639 247 H ILE 60 H ILE 60 1.361 -1.434 7.982 248 HA ILE 60 HA ILE 60 2.590 -0.373 5.602 249 HB ILE 60 HB ILE 60 -0.252 -1.359 5.977 250 1HG1 ILE 60 1HG1 ILE 60 2.259 -2.920 5.181 251 2HG1 ILE 60 2HG1 ILE 60 1.428 -3.065 6.725 252 1HG2 ILE 60 1HG2 ILE 60 1.343 -1.606 3.425 253 2HG2 ILE 60 2HG2 ILE 60 -0.411 -1.614 3.661 254 3HG2 ILE 60 3HG2 ILE 60 0.496 -0.103 3.787 255 1HD1 ILE 60 1HD1 ILE 60 0.742 -4.903 5.419 256 2HD1 ILE 60 2HD1 ILE 60 -0.647 -3.804 5.518 257 3HD1 ILE 60 3HD1 ILE 60 0.335 -3.881 4.031 258 H LEU 61 H LEU 61 -0.232 0.566 7.528 259 HA LEU 61 HA LEU 61 -1.181 2.835 6.236 260 1HB LEU 61 1HB LEU 61 -2.169 1.660 8.214 261 2HB LEU 61 2HB LEU 61 -0.910 2.302 9.233 262 HG LEU 61 HG LEU 61 -1.669 4.618 8.780 263 1HD1 LEU 61 1HD1 LEU 61 -3.876 3.171 7.275 264 2HD1 LEU 61 2HD1 LEU 61 -3.975 4.877 7.769 265 3HD1 LEU 61 3HD1 LEU 61 -2.742 4.359 6.611 266 1HD2 LEU 61 1HD2 LEU 61 -3.715 4.463 10.149 267 2HD2 LEU 61 2HD2 LEU 61 -3.799 2.716 9.837 268 3HD2 LEU 61 3HD2 LEU 61 -2.443 3.393 10.764 269 H ASP 62 H ASP 62 1.263 2.612 8.884 270 HA ASP 62 HA ASP 62 1.883 5.374 8.889 271 1HB ASP 62 1HB ASP 62 2.603 3.792 10.661 272 2HB ASP 62 2HB ASP 62 3.774 3.077 9.541 273 H ILE 63 H ILE 63 3.292 2.669 7.017 274 HA ILE 63 HA ILE 63 5.371 4.251 5.800 275 HB ILE 63 HB ILE 63 4.077 1.576 5.263 276 1HG1 ILE 63 1HG1 ILE 63 7.007 2.313 5.583 277 2HG1 ILE 63 2HG1 ILE 63 5.931 2.087 6.970 278 1HG2 ILE 63 1HG2 ILE 63 5.693 1.243 3.349 279 2HG2 ILE 63 2HG2 ILE 63 4.323 2.284 2.999 280 3HG2 ILE 63 3HG2 ILE 63 5.933 2.992 3.311 281 1HD1 ILE 63 1HD1 ILE 63 7.147 0.032 6.551 282 2HD1 ILE 63 2HD1 ILE 63 5.420 -0.218 6.242 283 3HD1 ILE 63 3HD1 ILE 63 6.557 -0.049 4.888 284 H ILE 64 H ILE 64 2.025 3.542 4.745 285 HA ILE 64 HA ILE 64 2.205 4.865 2.213 286 HB ILE 64 HB ILE 64 -0.108 4.388 4.128 287 1HG1 ILE 64 1HG1 ILE 64 0.407 3.030 1.476 288 2HG1 ILE 64 2HG1 ILE 64 1.257 2.463 2.915 289 1HG2 ILE 64 1HG2 ILE 64 -0.143 5.447 1.274 290 2HG2 ILE 64 2HG2 ILE 64 -1.568 4.802 2.111 291 3HG2 ILE 64 3HG2 ILE 64 -0.771 6.243 2.730 292 1HD1 ILE 64 1HD1 ILE 64 -0.792 1.195 2.590 293 2HD1 ILE 64 2HD1 ILE 64 -0.856 2.096 4.105 294 3HD1 ILE 64 3HD1 ILE 64 -1.769 2.673 2.706 295 H LEU 65 H LEU 65 1.174 6.030 5.439 296 HA LEU 65 HA LEU 65 0.669 8.719 4.612 297 1HB LEU 65 1HB LEU 65 1.327 7.482 7.302 298 2HB LEU 65 2HB LEU 65 0.826 9.162 7.105 299 HG LEU 65 HG LEU 65 -0.950 6.852 6.147 300 1HD1 LEU 65 1HD1 LEU 65 -2.138 7.079 8.287 301 2HD1 LEU 65 2HD1 LEU 65 -0.453 6.608 8.586 302 3HD1 LEU 65 3HD1 LEU 65 -0.959 8.286 8.848 303 1HD2 LEU 65 1HD2 LEU 65 -1.431 9.098 5.255 304 2HD2 LEU 65 2HD2 LEU 65 -2.702 8.531 6.358 305 3HD2 LEU 65 3HD2 LEU 65 -1.527 9.745 6.909 306 H ASN 66 H ASN 66 3.604 7.119 5.752 307 HA ASN 66 HA ASN 66 5.063 9.659 6.131 308 1HB ASN 66 1HB ASN 66 5.649 6.742 6.793 309 2HB ASN 66 2HB ASN 66 6.865 7.975 6.904 310 1HD2 ASN 66 1HD2 ASN 66 3.624 7.188 8.031 311 2HD2 ASN 66 2HD2 ASN 66 3.959 7.537 9.689 312 H GLY 67 H GLY 67 5.634 6.528 4.437 313 1HA GLY 67 1HA GLY 67 6.519 6.805 2.063 314 2HA GLY 67 2HA GLY 67 7.822 7.735 2.835 315 H GLN 68 H GLN 68 8.911 5.881 1.669 316 HA GLN 68 HA GLN 68 9.984 4.147 3.676 317 1HB GLN 68 1HB GLN 68 8.384 2.411 2.609 318 2HB GLN 68 2HB GLN 68 8.916 2.989 1.047 319 1HG GLN 68 1HG GLN 68 9.768 0.850 1.766 320 2HG GLN 68 2HG GLN 68 11.054 1.990 1.308 321 1HE2 GLN 68 1HE2 GLN 68 10.603 -0.591 3.109 322 2HE2 GLN 68 2HE2 GLN 68 11.528 -0.132 4.533 323 H GLY 69 H GLY 69 12.241 3.551 2.755 324 1HA GLY 69 1HA GLY 69 13.880 5.410 2.090 325 2HA GLY 69 2HA GLY 69 14.059 3.872 1.246 326 H GLY 70 H GLY 70 13.044 3.726 -1.016 327 1HA GLY 70 1HA GLY 70 13.272 6.289 -2.451 328 2HA GLY 70 2HA GLY 70 13.202 4.660 -3.111 329 H MET 71 H MET 71 10.796 5.825 -0.773 330 HA MET 71 HA MET 71 8.725 5.918 -2.929 331 1HB MET 71 1HB MET 71 8.632 3.921 -1.523 332 2HB MET 71 2HB MET 71 8.589 4.906 -0.089 333 1HG MET 71 1HG MET 71 6.463 5.805 -0.563 334 2HG MET 71 2HG MET 71 6.378 5.053 -2.159 335 1HE MET 71 1HE MET 71 3.882 4.566 -0.524 336 2HE MET 71 2HE MET 71 3.928 3.393 0.802 337 3HE MET 71 3HE MET 71 4.711 4.973 1.002 338 HA PRO 72 HA PRO 72 8.709 10.086 -1.421 339 1HB PRO 72 1HB PRO 72 6.366 11.084 -2.540 340 2HB PRO 72 2HB PRO 72 7.902 10.832 -3.415 341 1HG PRO 72 1HG PRO 72 5.515 8.995 -3.291 342 2HG PRO 72 2HG PRO 72 6.461 9.464 -4.729 343 1HD PRO 72 1HD PRO 72 6.912 7.104 -3.501 344 2HD PRO 72 2HD PRO 72 8.298 8.082 -4.083 345 H GLY 73 H GLY 73 5.683 8.277 -0.966 346 1HA GLY 73 1HA GLY 73 4.583 7.910 1.049 347 2HA GLY 73 2HA GLY 73 5.663 9.064 1.844 348 H GLY 74 H GLY 74 2.959 8.950 2.362 349 1HA GLY 74 1HA GLY 74 1.143 10.327 2.653 350 2HA GLY 74 2HA GLY 74 2.065 11.676 1.960 351 H ILE 75 H ILE 75 1.792 8.684 0.213 352 HA ILE 75 HA ILE 75 0.760 9.936 -2.147 353 HB ILE 75 HB ILE 75 1.255 7.066 -1.292 354 1HG1 ILE 75 1HG1 ILE 75 2.857 8.421 -3.437 355 2HG1 ILE 75 2HG1 ILE 75 3.137 9.006 -1.797 356 1HG2 ILE 75 1HG2 ILE 75 0.473 8.124 -4.031 357 2HG2 ILE 75 2HG2 ILE 75 1.215 6.537 -3.770 358 3HG2 ILE 75 3HG2 ILE 75 -0.360 6.885 -3.054 359 1HD1 ILE 75 1HD1 ILE 75 3.173 6.059 -2.477 360 2HD1 ILE 75 2HD1 ILE 75 4.626 7.063 -2.498 361 3HD1 ILE 75 3HD1 ILE 75 3.720 6.841 -0.985 362 H ALA 76 H ALA 76 -0.709 8.257 0.571 363 HA ALA 76 HA ALA 76 -3.338 9.007 -0.412 364 1HB ALA 76 1HB ALA 76 -2.505 6.190 0.420 365 2HB ALA 76 2HB ALA 76 -4.170 6.746 0.593 366 3HB ALA 76 3HB ALA 76 -3.420 6.678 -1.021 367 H LYS 77 H LYS 77 -4.620 9.699 1.470 368 HA LYS 77 HA LYS 77 -3.290 9.354 4.105 369 1HB LYS 77 1HB LYS 77 -4.026 12.019 2.836 370 2HB LYS 77 2HB LYS 77 -3.565 11.760 4.510 371 1HG LYS 77 1HG LYS 77 -1.363 10.677 3.517 372 2HG LYS 77 2HG LYS 77 -1.909 11.371 1.997 373 1HD LYS 77 1HD LYS 77 -0.503 13.000 2.637 374 2HD LYS 77 2HD LYS 77 -1.973 13.647 3.356 375 1HE LYS 77 1HE LYS 77 0.234 12.011 4.756 376 2HE LYS 77 2HE LYS 77 0.034 13.762 4.861 377 1HZ LYS 77 1HZ LYS 77 -1.892 11.772 5.845 378 2HZ LYS 77 2HZ LYS 77 -0.864 12.663 6.770 379 3HZ LYS 77 3HZ LYS 77 -2.077 13.407 5.942 380 H GLY 78 H GLY 78 -4.507 9.666 5.948 381 1HA GLY 78 1HA GLY 78 -6.364 9.440 7.255 382 2HA GLY 78 2HA GLY 78 -7.243 10.396 6.046 383 H ALA 79 H ALA 79 -9.095 9.191 5.893 384 HA ALA 79 HA ALA 79 -9.646 6.568 6.032 385 1HB ALA 79 1HB ALA 79 -11.324 8.315 5.687 386 2HB ALA 79 2HB ALA 79 -10.818 8.495 3.990 387 3HB ALA 79 3HB ALA 79 -11.560 6.979 4.545 388 H GLU 80 H GLU 80 -8.223 8.167 3.225 389 HA GLU 80 HA GLU 80 -8.339 6.108 1.289 390 1HB GLU 80 1HB GLU 80 -7.657 8.665 1.254 391 2HB GLU 80 2HB GLU 80 -6.060 8.055 1.666 392 1HG GLU 80 1HG GLU 80 -6.075 6.780 -0.505 393 2HG GLU 80 2HG GLU 80 -7.660 7.464 -0.852 394 H ALA 81 H ALA 81 -5.744 6.944 3.706 395 HA ALA 81 HA ALA 81 -4.047 4.747 2.913 396 1HB ALA 81 1HB ALA 81 -3.955 6.456 5.431 397 2HB ALA 81 2HB ALA 81 -2.639 5.495 4.709 398 3HB ALA 81 3HB ALA 81 -3.250 6.919 3.868 399 H GLU 82 H GLU 82 -6.418 5.381 5.527 400 HA GLU 82 HA GLU 82 -6.068 3.026 7.075 401 1HB GLU 82 1HB GLU 82 -8.588 4.596 6.437 402 2HB GLU 82 2HB GLU 82 -8.450 3.394 7.715 403 1HG GLU 82 1HG GLU 82 -6.917 4.707 8.971 404 2HG GLU 82 2HG GLU 82 -6.585 5.805 7.630 405 H ALA 83 H ALA 83 -8.274 3.626 4.326 406 HA ALA 83 HA ALA 83 -9.341 1.056 4.040 407 1HB ALA 83 1HB ALA 83 -10.187 3.071 2.888 408 2HB ALA 83 2HB ALA 83 -8.747 3.104 1.852 409 3HB ALA 83 3HB ALA 83 -9.891 1.758 1.746 410 H VAL 84 H VAL 84 -6.475 2.470 2.323 411 HA VAL 84 HA VAL 84 -5.683 0.137 0.979 412 HB VAL 84 HB VAL 84 -3.922 2.295 2.201 413 1HG1 VAL 84 1HG1 VAL 84 -2.212 1.454 0.626 414 2HG1 VAL 84 2HG1 VAL 84 -2.580 0.218 1.825 415 3HG1 VAL 84 3HG1 VAL 84 -3.256 0.083 0.202 416 1HG2 VAL 84 1HG2 VAL 84 -5.323 3.185 0.380 417 2HG2 VAL 84 2HG2 VAL 84 -3.634 3.019 -0.147 418 3HG2 VAL 84 3HG2 VAL 84 -4.852 1.831 -0.653 419 H ALA 85 H ALA 85 -4.659 1.195 4.279 420 HA ALA 85 HA ALA 85 -2.820 -0.879 4.726 421 1HB ALA 85 1HB ALA 85 -2.961 1.156 6.059 422 2HB ALA 85 2HB ALA 85 -4.523 0.651 6.740 423 3HB ALA 85 3HB ALA 85 -3.057 -0.283 7.097 424 H ALA 86 H ALA 86 -6.256 -0.684 5.759 425 HA ALA 86 HA ALA 86 -6.466 -3.241 6.956 426 1HB ALA 86 1HB ALA 86 -8.209 -1.519 7.126 427 2HB ALA 86 2HB ALA 86 -8.547 -1.644 5.389 428 3HB ALA 86 3HB ALA 86 -8.891 -3.018 6.462 429 H TRP 87 H TRP 87 -7.180 -2.244 3.587 430 HA TRP 87 HA TRP 87 -7.833 -4.791 2.566 431 1HB TRP 87 1HB TRP 87 -8.452 -2.826 1.489 432 2HB TRP 87 2HB TRP 87 -6.794 -2.227 1.426 433 HD1 TRP 87 HD TRP 87 -8.994 -4.774 -0.476 434 HE1 TRP 87 1HE TRP 87 -7.742 -5.484 -2.572 435 HE3 TRP 87 3HE TRP 87 -4.835 -1.880 0.104 436 HZ2 TRP 87 2HZ TRP 87 -4.987 -4.968 -3.733 437 HZ3 TRP 87 3HZ TRP 87 -3.007 -1.980 -1.552 438 HH2 TRP 87 HH TRP 87 -3.203 -3.458 -3.529 439 H LEU 88 H LEU 88 -4.606 -3.200 2.774 440 HA LEU 88 HA LEU 88 -3.381 -5.469 1.492 441 1HB LEU 88 1HB LEU 88 -2.084 -3.139 2.833 442 2HB LEU 88 2HB LEU 88 -1.186 -4.611 2.436 443 HG LEU 88 HG LEU 88 -2.313 -2.602 0.546 444 1HD1 LEU 88 1HD1 LEU 88 0.063 -2.610 1.111 445 2HD1 LEU 88 2HD1 LEU 88 0.152 -4.197 0.267 446 3HD1 LEU 88 3HD1 LEU 88 -0.453 -2.767 -0.599 447 1HD2 LEU 88 1HD2 LEU 88 -1.867 -4.298 -1.348 448 2HD2 LEU 88 2HD2 LEU 88 -1.789 -5.566 -0.129 449 3HD2 LEU 88 3HD2 LEU 88 -3.309 -4.688 -0.421 450 H ALA 89 H ALA 89 -3.937 -4.759 4.855 451 HA ALA 89 HA ALA 89 -2.557 -7.094 5.863 452 1HB ALA 89 1HB ALA 89 -3.148 -5.449 7.405 453 2HB ALA 89 2HB ALA 89 -4.886 -5.533 6.993 454 3HB ALA 89 3HB ALA 89 -4.089 -6.893 7.812 455 H GLU 90 H GLU 90 -5.768 -6.575 4.470 456 HA GLU 90 HA GLU 90 -6.764 -9.226 4.913 457 1HB GLU 90 1HB GLU 90 -8.044 -7.077 4.499 458 2HB GLU 90 2HB GLU 90 -7.531 -7.173 2.815 459 1HG GLU 90 1HG GLU 90 -8.648 -9.461 2.683 460 2HG GLU 90 2HG GLU 90 -9.360 -9.097 4.265 461 H LYS 91 H LYS 91 -4.700 -7.807 2.431 462 HA LYS 91 HA LYS 91 -5.367 -9.485 0.275 463 1HB LYS 91 1HB LYS 91 -3.614 -7.336 0.858 464 2HB LYS 91 2HB LYS 91 -2.569 -8.519 0.175 465 1HG LYS 91 1HG LYS 91 -5.143 -8.013 -1.324 466 2HG LYS 91 2HG LYS 91 -4.095 -6.626 -1.155 467 1HD LYS 91 1HD LYS 91 -3.674 -7.834 -3.245 468 2HD LYS 91 2HD LYS 91 -2.230 -7.721 -2.220 469 1HE LYS 91 1HE LYS 91 -2.393 -10.001 -1.517 470 2HE LYS 91 2HE LYS 91 -4.057 -10.153 -2.141 471 1HZ LYS 91 1HZ LYS 91 -2.899 -9.782 -4.395 472 2HZ LYS 91 2HZ LYS 91 -1.509 -10.154 -3.551 473 3HZ LYS 91 3HZ LYS 91 -2.705 -11.226 -3.619 474 H LYS 92 H LYS 92 -3.482 -10.265 2.985 475 HA LYS 92 HA LYS 92 -1.203 -11.275 1.836 476 1HB LYS 92 1HB LYS 92 -0.710 -12.040 4.089 477 2HB LYS 92 2HB LYS 92 -1.435 -10.422 4.008 478 1HG LYS 92 1HG LYS 92 -3.674 -11.519 4.625 479 2HG LYS 92 2HG LYS 92 -2.783 -13.019 4.895 480 1HD LYS 92 1HD LYS 92 -1.415 -11.928 6.626 481 2HD LYS 92 2HD LYS 92 -2.165 -10.363 6.249 482 1HE LYS 92 1HE LYS 92 -4.397 -11.249 6.909 483 2HE LYS 92 2HE LYS 92 -3.637 -12.779 7.384 484 1HZ LYS 92 1HZ LYS 92 -2.334 -11.537 8.991 485 2HZ LYS 92 2HZ LYS 92 -3.026 -10.124 8.513 486 3HZ LYS 92 3HZ LYS 92 -3.942 -11.279 9.246 487 HHA HEC 93 HHA HEC 93 8.559 -0.178 0.329 488 HHB HEC 93 HHB HEC 93 2.147 0.153 0.741 489 HHC HEC 93 HHC HEC 93 2.275 4.370 -4.109 490 HHD HEC 93 HHD HEC 93 8.520 3.306 -4.978 491 1HMA HEC 93 1HMA HEC 93 3.300 -1.956 2.069 492 2HMA HEC 93 2HMA HEC 93 4.565 -1.709 3.284 493 3HMA HEC 93 3HMA HEC 93 3.331 -0.464 3.051 494 1HAA HEC 93 1HAA HEC 93 6.793 -1.742 3.093 495 2HAA HEC 93 2HAA HEC 93 7.923 -0.580 2.512 496 1HBA HEC 93 1HBA HEC 93 7.831 -2.133 0.360 497 2HBA HEC 93 2HBA HEC 93 7.184 -3.326 1.471 498 1HMB HEC 93 1HMB HEC 93 -0.899 1.316 -1.152 499 2HMB HEC 93 2HMB HEC 93 0.161 -0.075 -0.988 500 3HMB HEC 93 3HMB HEC 93 -0.033 1.033 0.377 501 HAB HEC 93 HAB HEC 93 0.356 4.352 -3.317 502 1HBB HEC 93 1HBB HEC 93 -1.693 4.664 -2.027 503 2HBB HEC 93 2HBB HEC 93 -1.146 3.484 -0.828 504 3HBB HEC 93 3HBB HEC 93 -0.235 4.978 -1.069 505 1HMC HEC 93 1HMC HEC 93 3.236 6.183 -5.454 506 2HMC HEC 93 2HMC HEC 93 4.262 5.961 -6.876 507 3HMC HEC 93 3HMC HEC 93 3.015 4.774 -6.511 508 HAC HEC 93 HAC HEC 93 7.870 4.487 -6.577 509 1HBC HEC 93 1HBC HEC 93 7.512 6.720 -7.588 510 2HBC HEC 93 2HBC HEC 93 6.148 6.974 -6.478 511 3HBC HEC 93 3HBC HEC 93 7.777 6.701 -5.843 512 1HMD HEC 93 1HMD HEC 93 10.134 1.837 -5.116 513 2HMD HEC 93 2HMD HEC 93 11.221 2.607 -3.933 514 3HMD HEC 93 3HMD HEC 93 11.178 0.837 -4.120 515 1HAD HEC 93 1HAD HEC 93 10.868 -0.656 -1.345 516 2HAD HEC 93 2HAD HEC 93 10.481 0.339 -0.087 517 1HBD HEC 93 1HBD HEC 93 12.546 1.042 -0.152 518 2HBD HEC 93 2HBD HEC 93 11.652 2.302 -0.974 Start of MODEL 3 1 1H VAL 22 1H VAL 22 -14.229 4.286 0.182 2 2H VAL 22 2H VAL 22 -12.973 4.388 1.244 3 3H VAL 22 3H VAL 22 -13.829 5.783 0.834 4 HA VAL 22 HA VAL 22 -13.199 5.355 -1.452 5 HB VAL 22 HB VAL 22 -10.643 5.417 0.202 6 1HG1 VAL 22 1HG1 VAL 22 -11.511 6.781 -2.397 7 2HG1 VAL 22 2HG1 VAL 22 -9.896 6.839 -1.671 8 3HG1 VAL 22 3HG1 VAL 22 -10.529 5.311 -2.304 9 1HG2 VAL 22 1HG2 VAL 22 -12.087 7.057 1.299 10 2HG2 VAL 22 2HG2 VAL 22 -10.924 7.903 0.276 11 3HG2 VAL 22 3HG2 VAL 22 -12.599 7.713 -0.278 12 H ASP 23 H ASP 23 -12.856 3.707 -2.690 13 HA ASP 23 HA ASP 23 -12.687 1.039 -1.761 14 1HB ASP 23 1HB ASP 23 -13.796 1.534 -3.837 15 2HB ASP 23 2HB ASP 23 -12.331 2.213 -4.540 16 H ALA 24 H ALA 24 -10.991 0.254 -0.806 17 HA ALA 24 HA ALA 24 -8.449 1.342 -0.753 18 1HB ALA 24 1HB ALA 24 -7.805 -0.682 0.356 19 2HB ALA 24 2HB ALA 24 -9.428 -0.243 0.934 20 3HB ALA 24 3HB ALA 24 -9.249 -1.538 -0.260 21 H GLU 25 H GLU 25 -9.767 -1.265 -2.866 22 HA GLU 25 HA GLU 25 -7.044 -1.987 -3.668 23 1HB GLU 25 1HB GLU 25 -7.811 -3.833 -4.580 24 2HB GLU 25 2HB GLU 25 -9.220 -3.543 -3.553 25 1HG GLU 25 1HG GLU 25 -10.420 -2.614 -5.428 26 2HG GLU 25 2HG GLU 25 -8.972 -2.751 -6.487 27 H ALA 26 H ALA 26 -9.893 -0.199 -4.942 28 HA ALA 26 HA ALA 26 -8.783 0.557 -7.417 29 1HB ALA 26 1HB ALA 26 -11.110 1.071 -6.737 30 2HB ALA 26 2HB ALA 26 -10.471 2.353 -5.663 31 3HB ALA 26 3HB ALA 26 -10.245 2.465 -7.413 32 H VAL 27 H VAL 27 -8.426 2.251 -4.241 33 HA VAL 27 HA VAL 27 -6.567 4.289 -5.060 34 HB VAL 27 HB VAL 27 -6.681 2.709 -2.450 35 1HG1 VAL 27 1HG1 VAL 27 -5.364 4.587 -1.507 36 2HG1 VAL 27 2HG1 VAL 27 -4.431 3.717 -2.723 37 3HG1 VAL 27 3HG1 VAL 27 -5.177 5.279 -3.125 38 1HG2 VAL 27 1HG2 VAL 27 -8.692 4.173 -3.050 39 2HG2 VAL 27 2HG2 VAL 27 -7.864 4.575 -1.535 40 3HG2 VAL 27 3HG2 VAL 27 -7.598 5.559 -2.991 41 H VAL 28 H VAL 28 -5.742 0.795 -3.936 42 HA VAL 28 HA VAL 28 -3.109 1.672 -4.381 43 HB VAL 28 HB VAL 28 -4.408 -0.965 -3.845 44 1HG1 VAL 28 1HG1 VAL 28 -2.445 -1.998 -4.221 45 2HG1 VAL 28 2HG1 VAL 28 -1.627 -0.472 -4.497 46 3HG1 VAL 28 3HG1 VAL 28 -1.746 -1.106 -2.856 47 1HG2 VAL 28 1HG2 VAL 28 -2.938 1.104 -2.119 48 2HG2 VAL 28 2HG2 VAL 28 -4.670 0.795 -2.110 49 3HG2 VAL 28 3HG2 VAL 28 -3.568 -0.404 -1.507 50 H GLN 29 H GLN 29 -5.318 -0.094 -6.308 51 HA GLN 29 HA GLN 29 -3.803 -0.673 -8.645 52 1HB GLN 29 1HB GLN 29 -6.769 -0.336 -8.095 53 2HB GLN 29 2HB GLN 29 -6.151 -0.884 -9.629 54 1HG GLN 29 1HG GLN 29 -5.622 -2.322 -7.001 55 2HG GLN 29 2HG GLN 29 -6.856 -2.754 -8.187 56 1HE2 GLN 29 1HE2 GLN 29 -3.923 -3.741 -7.153 57 2HE2 GLN 29 2HE2 GLN 29 -3.176 -4.222 -8.671 58 H GLN 30 H GLN 30 -4.557 2.424 -7.432 59 HA GLN 30 HA GLN 30 -3.736 3.443 -10.108 60 1HB GLN 30 1HB GLN 30 -6.309 3.872 -8.849 61 2HB GLN 30 2HB GLN 30 -5.452 5.404 -8.886 62 1HG GLN 30 1HG GLN 30 -4.981 4.954 -11.361 63 2HG GLN 30 2HG GLN 30 -5.963 3.487 -11.217 64 1HE2 GLN 30 1HE2 GLN 30 -6.038 7.056 -10.951 65 2HE2 GLN 30 2HE2 GLN 30 -7.762 7.192 -11.277 66 H LYS 31 H LYS 31 -3.126 3.562 -6.745 67 HA LYS 31 HA LYS 31 -1.547 6.069 -7.034 68 1HB LYS 31 1HB LYS 31 -3.468 5.138 -5.080 69 2HB LYS 31 2HB LYS 31 -1.926 5.200 -4.306 70 1HG LYS 31 1HG LYS 31 -3.009 7.288 -3.986 71 2HG LYS 31 2HG LYS 31 -1.738 7.615 -5.177 72 1HD LYS 31 1HD LYS 31 -3.338 7.591 -6.998 73 2HD LYS 31 2HD LYS 31 -4.618 6.963 -5.937 74 1HE LYS 31 1HE LYS 31 -4.622 9.006 -4.596 75 2HE LYS 31 2HE LYS 31 -3.244 9.659 -5.496 76 1HZ LYS 31 1HZ LYS 31 -5.341 10.563 -6.213 77 2HZ LYS 31 2HZ LYS 31 -4.622 9.740 -7.446 78 3HZ LYS 31 3HZ LYS 31 -5.897 9.075 -6.633 79 H CYS 32 H CYS 32 -1.289 2.585 -6.386 80 HA CYS 32 HA CYS 32 1.548 3.002 -5.545 81 1HB CYS 32 1HB CYS 32 0.051 0.501 -5.103 82 2HB CYS 32 2HB CYS 32 1.349 1.142 -4.149 83 H ILE 33 H ILE 33 -0.573 0.958 -7.582 84 HA ILE 33 HA ILE 33 1.318 -0.769 -8.603 85 HB ILE 33 HB ILE 33 0.006 -0.860 -10.667 86 1HG1 ILE 33 1HG1 ILE 33 -1.899 1.211 -9.543 87 2HG1 ILE 33 2HG1 ILE 33 -0.622 1.661 -10.668 88 1HG2 ILE 33 1HG2 ILE 33 -1.653 -0.861 -8.121 89 2HG2 ILE 33 2HG2 ILE 33 -2.048 -1.721 -9.627 90 3HG2 ILE 33 3HG2 ILE 33 -0.627 -2.160 -8.685 91 1HD1 ILE 33 1HD1 ILE 33 -2.618 1.293 -11.933 92 2HD1 ILE 33 2HD1 ILE 33 -1.405 0.074 -12.349 93 3HD1 ILE 33 3HD1 ILE 33 -2.778 -0.361 -11.309 94 H SER 34 H SER 34 0.944 2.597 -9.336 95 HA SER 34 HA SER 34 2.376 3.155 -11.565 96 1HB SER 34 1HB SER 34 1.319 4.759 -9.931 97 2HB SER 34 2HB SER 34 2.746 4.571 -8.890 98 HG SER 34 HG SER 34 2.850 6.392 -10.320 99 H CYS 35 H CYS 35 3.769 2.139 -8.413 100 HA CYS 35 HA CYS 35 6.403 1.761 -9.783 101 1HB CYS 35 1HB CYS 35 6.222 2.147 -6.792 102 2HB CYS 35 2HB CYS 35 7.581 2.329 -7.874 103 H HIS 36 H HIS 36 4.097 0.448 -7.343 104 HA HIS 36 HA HIS 36 5.679 -1.937 -6.944 105 1HB HIS 36 1HB HIS 36 2.873 -1.136 -6.168 106 2HB HIS 36 2HB HIS 36 3.587 -2.702 -5.755 107 HD1 HIS 36 1HD HIS 36 5.741 -2.683 -4.076 108 HD2 HIS 36 2HD HIS 36 3.689 0.968 -4.653 109 HE1 HIS 36 1HE HIS 36 6.431 -1.127 -2.181 110 H GLY 37 H GLY 37 3.604 -1.093 -9.565 111 1HA GLY 37 1HA GLY 37 3.355 -2.329 -11.491 112 2HA GLY 37 2HA GLY 37 3.903 -3.808 -10.684 113 H GLY 38 H GLY 38 1.544 -3.530 -12.355 114 1HA GLY 38 1HA GLY 38 -0.901 -2.980 -11.395 115 2HA GLY 38 2HA GLY 38 -0.589 -4.390 -12.405 116 H ASP 39 H ASP 39 0.341 -6.354 -11.078 117 HA ASP 39 HA ASP 39 -1.630 -7.079 -9.160 118 1HB ASP 39 1HB ASP 39 0.939 -8.439 -10.049 119 2HB ASP 39 2HB ASP 39 -0.358 -9.208 -9.118 120 H LEU 40 H LEU 40 0.997 -5.113 -8.595 121 HA LEU 40 HA LEU 40 2.182 -4.430 -6.829 122 1HB LEU 40 1HB LEU 40 0.152 -5.927 -5.146 123 2HB LEU 40 2HB LEU 40 1.260 -4.684 -4.599 124 HG LEU 40 HG LEU 40 -0.286 -3.806 -6.986 125 1HD1 LEU 40 1HD1 LEU 40 -1.823 -4.452 -4.454 126 2HD1 LEU 40 2HD1 LEU 40 -2.399 -3.511 -5.854 127 3HD1 LEU 40 3HD1 LEU 40 -2.018 -5.228 -6.046 128 1HD2 LEU 40 1HD2 LEU 40 -0.140 -2.576 -4.256 129 2HD2 LEU 40 2HD2 LEU 40 1.167 -2.430 -5.443 130 3HD2 LEU 40 3HD2 LEU 40 -0.436 -1.799 -5.835 131 H THR 41 H THR 41 2.787 -6.883 -8.233 132 HA THR 41 HA THR 41 4.107 -8.751 -6.495 133 HB THR 41 HB THR 41 4.870 -9.409 -8.949 134 HG1 THR 41 1HG THR 41 3.381 -8.468 -10.474 135 1HG2 THR 41 1HG2 THR 41 3.151 -10.654 -7.722 136 2HG2 THR 41 2HG2 THR 41 1.942 -9.406 -8.067 137 3HG2 THR 41 3HG2 THR 41 2.601 -10.394 -9.389 138 H GLY 42 H GLY 42 4.912 -5.579 -7.660 139 1HA GLY 42 1HA GLY 42 6.689 -4.499 -6.726 140 2HA GLY 42 2HA GLY 42 7.607 -6.000 -6.533 141 H ALA 43 H ALA 43 6.583 -3.535 -8.858 142 HA ALA 43 HA ALA 43 8.470 -4.515 -10.921 143 1HB ALA 43 1HB ALA 43 6.371 -3.755 -11.737 144 2HB ALA 43 2HB ALA 43 6.485 -2.214 -10.881 145 3HB ALA 43 3HB ALA 43 7.596 -2.566 -12.220 146 H SER 44 H SER 44 8.027 -1.125 -9.911 147 HA SER 44 HA SER 44 10.949 -0.699 -9.876 148 1HB SER 44 1HB SER 44 8.644 1.250 -9.575 149 2HB SER 44 2HB SER 44 10.346 1.657 -9.838 150 HG SER 44 HG SER 44 9.057 1.659 -11.784 151 H ALA 45 H ALA 45 8.874 -1.888 -7.650 152 HA ALA 45 HA ALA 45 10.190 -0.758 -5.271 153 1HB ALA 45 1HB ALA 45 7.181 -0.775 -5.796 154 2HB ALA 45 2HB ALA 45 7.963 -0.304 -4.281 155 3HB ALA 45 3HB ALA 45 8.184 0.674 -5.740 156 HA PRO 46 HA PRO 46 9.877 -5.080 -4.371 157 1HB PRO 46 1HB PRO 46 9.276 -5.268 -1.678 158 2HB PRO 46 2HB PRO 46 10.865 -4.743 -2.308 159 1HG PRO 46 1HG PRO 46 8.542 -3.000 -1.468 160 2HG PRO 46 2HG PRO 46 10.247 -2.875 -0.931 161 1HD PRO 46 1HD PRO 46 9.296 -1.315 -2.916 162 2HD PRO 46 2HD PRO 46 10.914 -2.047 -3.102 163 H ALA 47 H ALA 47 8.391 -6.839 -3.693 164 HA ALA 47 HA ALA 47 5.729 -6.426 -4.679 165 1HB ALA 47 1HB ALA 47 5.396 -8.762 -4.096 166 2HB ALA 47 2HB ALA 47 7.026 -8.601 -4.786 167 3HB ALA 47 3HB ALA 47 6.821 -8.758 -3.035 168 H ILE 48 H ILE 48 4.000 -5.655 -3.551 169 HA ILE 48 HA ILE 48 4.031 -5.989 -0.591 170 HB ILE 48 HB ILE 48 3.116 -3.866 -0.109 171 1HG1 ILE 48 1HG1 ILE 48 3.262 -2.006 -1.800 172 2HG1 ILE 48 2HG1 ILE 48 3.295 -3.232 -3.056 173 1HG2 ILE 48 1HG2 ILE 48 5.567 -4.197 -0.160 174 2HG2 ILE 48 2HG2 ILE 48 5.591 -3.583 -1.827 175 3HG2 ILE 48 3HG2 ILE 48 5.095 -2.527 -0.500 176 1HD1 ILE 48 1HD1 ILE 48 0.988 -3.911 -2.371 177 2HD1 ILE 48 2HD1 ILE 48 1.125 -2.935 -0.890 178 3HD1 ILE 48 3HD1 ILE 48 1.040 -2.136 -2.458 179 H ASP 49 H ASP 49 2.540 -7.003 -3.339 180 HA ASP 49 HA ASP 49 -0.145 -7.205 -2.679 181 1HB ASP 49 1HB ASP 49 -0.103 -9.303 -3.852 182 2HB ASP 49 2HB ASP 49 1.049 -8.235 -4.647 183 H LYS 50 H LYS 50 2.579 -8.935 -1.272 184 HA LYS 50 HA LYS 50 0.884 -10.172 0.855 185 1HB LYS 50 1HB LYS 50 3.442 -10.874 -0.536 186 2HB LYS 50 2HB LYS 50 3.249 -11.431 1.127 187 1HG LYS 50 1HG LYS 50 1.687 -12.946 0.661 188 2HG LYS 50 2HG LYS 50 0.783 -11.896 -0.424 189 1HD LYS 50 1HD LYS 50 1.690 -12.635 -2.274 190 2HD LYS 50 2HD LYS 50 3.329 -12.776 -1.636 191 1HE LYS 50 1HE LYS 50 2.896 -14.909 -0.663 192 2HE LYS 50 2HE LYS 50 1.136 -14.735 -0.819 193 1HZ LYS 50 1HZ LYS 50 1.299 -14.921 -3.137 194 2HZ LYS 50 2HZ LYS 50 2.942 -14.880 -3.132 195 3HZ LYS 50 3HZ LYS 50 2.147 -16.181 -2.498 196 H ALA 51 H ALA 51 2.210 -7.289 0.679 197 HA ALA 51 HA ALA 51 3.821 -7.112 3.026 198 1HB ALA 51 1HB ALA 51 2.896 -4.731 3.052 199 2HB ALA 51 2HB ALA 51 3.771 -5.277 1.594 200 3HB ALA 51 3HB ALA 51 2.000 -5.186 1.613 201 H GLY 52 H GLY 52 0.144 -7.404 2.673 202 1HA GLY 52 1HA GLY 52 -0.391 -6.938 5.393 203 2HA GLY 52 2HA GLY 52 -1.289 -7.988 4.285 204 H ALA 53 H ALA 53 0.988 -9.827 3.782 205 HA ALA 53 HA ALA 53 0.614 -11.580 6.077 206 1HB ALA 53 1HB ALA 53 0.951 -12.390 3.664 207 2HB ALA 53 2HB ALA 53 2.642 -11.909 3.828 208 3HB ALA 53 3HB ALA 53 1.970 -13.144 4.896 209 H ASN 54 H ASN 54 3.267 -9.697 4.673 210 HA ASN 54 HA ASN 54 5.232 -10.636 6.595 211 1HB ASN 54 1HB ASN 54 5.323 -8.389 4.532 212 2HB ASN 54 2HB ASN 54 6.685 -8.895 5.534 213 1HD2 ASN 54 1HD2 ASN 54 4.408 -10.105 2.998 214 2HD2 ASN 54 2HD2 ASN 54 5.541 -11.321 2.428 215 H TYR 55 H TYR 55 3.299 -7.707 6.240 216 HA TYR 55 HA TYR 55 4.421 -6.541 8.762 217 1HB TYR 55 1HB TYR 55 3.322 -4.920 6.475 218 2HB TYR 55 2HB TYR 55 4.363 -4.400 7.801 219 HD1 TYR 55 1HD TYR 55 4.468 -4.372 4.511 220 HD2 TYR 55 2HD TYR 55 6.658 -6.232 7.713 221 HE1 TYR 55 1HE TYR 55 6.335 -4.847 2.951 222 HE2 TYR 55 2HE TYR 55 8.564 -6.619 6.172 223 HH TYR 55 HH TYR 55 8.877 -5.242 3.069 224 H SER 56 H SER 56 2.588 -4.687 9.378 225 HA SER 56 HA SER 56 -0.091 -6.032 9.219 226 1HB SER 56 1HB SER 56 1.235 -4.721 11.626 227 2HB SER 56 2HB SER 56 -0.468 -5.202 11.547 228 HG SER 56 HG SER 56 1.712 -6.958 11.058 229 H GLU 57 H GLU 57 -1.902 -4.503 9.608 230 HA GLU 57 HA GLU 57 -1.856 -2.501 7.714 231 1HB GLU 57 1HB GLU 57 -3.971 -1.681 8.703 232 2HB GLU 57 2HB GLU 57 -3.928 -3.394 8.366 233 1HG GLU 57 1HG GLU 57 -4.883 -3.519 10.414 234 2HG GLU 57 2HG GLU 57 -3.213 -3.520 10.994 235 H GLU 58 H GLU 58 -1.709 -1.789 11.298 236 HA GLU 58 HA GLU 58 -0.842 0.657 11.438 237 1HB GLU 58 1HB GLU 58 0.870 -0.090 13.192 238 2HB GLU 58 2HB GLU 58 -0.818 -0.569 13.393 239 1HG GLU 58 1HG GLU 58 -0.322 -2.843 12.582 240 2HG GLU 58 2HG GLU 58 1.386 -2.399 12.372 241 H GLU 59 H GLU 59 1.649 -1.794 10.512 242 HA GLU 59 HA GLU 59 3.741 0.077 10.067 243 1HB GLU 59 1HB GLU 59 3.274 -2.601 8.689 244 2HB GLU 59 2HB GLU 59 4.804 -1.746 8.774 245 1HG GLU 59 1HG GLU 59 3.466 -2.596 11.367 246 2HG GLU 59 2HG GLU 59 4.350 -3.759 10.374 247 H ILE 60 H ILE 60 1.473 -1.511 7.810 248 HA ILE 60 HA ILE 60 2.664 -0.413 5.447 249 HB ILE 60 HB ILE 60 -0.173 -1.399 5.833 250 1HG1 ILE 60 1HG1 ILE 60 2.278 -2.959 4.885 251 2HG1 ILE 60 2HG1 ILE 60 1.613 -3.065 6.506 252 1HG2 ILE 60 1HG2 ILE 60 1.113 -1.876 3.204 253 2HG2 ILE 60 2HG2 ILE 60 -0.507 -1.290 3.596 254 3HG2 ILE 60 3HG2 ILE 60 0.871 -0.173 3.559 255 1HD1 ILE 60 1HD1 ILE 60 0.766 -4.916 5.397 256 2HD1 ILE 60 2HD1 ILE 60 -0.593 -3.786 5.513 257 3HD1 ILE 60 3HD1 ILE 60 0.285 -3.983 3.969 258 H LEU 61 H LEU 61 -0.116 0.554 7.414 259 HA LEU 61 HA LEU 61 -1.019 2.834 6.070 260 1HB LEU 61 1HB LEU 61 -2.067 1.675 8.065 261 2HB LEU 61 2HB LEU 61 -0.853 2.415 9.087 262 HG LEU 61 HG LEU 61 -1.652 4.681 8.277 263 1HD1 LEU 61 1HD1 LEU 61 -3.924 2.996 7.169 264 2HD1 LEU 61 2HD1 LEU 61 -3.947 4.769 7.307 265 3HD1 LEU 61 3HD1 LEU 61 -2.811 3.980 6.209 266 1HD2 LEU 61 1HD2 LEU 61 -3.658 4.684 9.715 267 2HD2 LEU 61 2HD2 LEU 61 -3.682 2.907 9.692 268 3HD2 LEU 61 3HD2 LEU 61 -2.330 3.773 10.458 269 H ASP 62 H ASP 62 1.418 2.529 8.709 270 HA ASP 62 HA ASP 62 2.087 5.259 8.749 271 1HB ASP 62 1HB ASP 62 3.089 2.898 10.012 272 2HB ASP 62 2HB ASP 62 4.470 3.597 9.188 273 H ILE 63 H ILE 63 3.377 2.584 6.743 274 HA ILE 63 HA ILE 63 5.365 4.247 5.459 275 HB ILE 63 HB ILE 63 4.140 1.548 4.831 276 1HG1 ILE 63 1HG1 ILE 63 6.907 1.439 4.418 277 2HG1 ILE 63 2HG1 ILE 63 6.778 2.577 5.750 278 1HG2 ILE 63 1HG2 ILE 63 5.539 1.473 2.746 279 2HG2 ILE 63 2HG2 ILE 63 4.056 2.397 2.656 280 3HG2 ILE 63 3HG2 ILE 63 5.642 3.225 2.809 281 1HD1 ILE 63 1HD1 ILE 63 5.655 0.932 7.101 282 2HD1 ILE 63 2HD1 ILE 63 5.444 -0.167 5.710 283 3HD1 ILE 63 3HD1 ILE 63 7.060 0.156 6.366 284 H ILE 64 H ILE 64 1.984 3.500 4.537 285 HA ILE 64 HA ILE 64 2.055 4.848 2.026 286 HB ILE 64 HB ILE 64 -0.185 4.331 4.010 287 1HG1 ILE 64 1HG1 ILE 64 0.209 2.951 1.358 288 2HG1 ILE 64 2HG1 ILE 64 1.244 2.457 2.698 289 1HG2 ILE 64 1HG2 ILE 64 -1.701 4.649 2.006 290 2HG2 ILE 64 2HG2 ILE 64 -0.964 6.136 2.612 291 3HG2 ILE 64 3HG2 ILE 64 -0.318 5.365 1.152 292 1HD1 ILE 64 1HD1 ILE 64 -1.785 2.500 2.833 293 2HD1 ILE 64 2HD1 ILE 64 -0.730 1.070 2.623 294 3HD1 ILE 64 3HD1 ILE 64 -0.700 1.987 4.114 295 H LEU 65 H LEU 65 1.154 5.991 5.282 296 HA LEU 65 HA LEU 65 0.612 8.696 4.477 297 1HB LEU 65 1HB LEU 65 1.259 7.418 7.150 298 2HB LEU 65 2HB LEU 65 0.715 9.087 6.959 299 HG LEU 65 HG LEU 65 -0.992 6.690 6.043 300 1HD1 LEU 65 1HD1 LEU 65 -0.527 6.668 8.520 301 2HD1 LEU 65 2HD1 LEU 65 -1.119 8.335 8.620 302 3HD1 LEU 65 3HD1 LEU 65 -2.224 7.032 8.139 303 1HD2 LEU 65 1HD2 LEU 65 -2.793 8.363 6.167 304 2HD2 LEU 65 2HD2 LEU 65 -1.600 9.637 6.491 305 3HD2 LEU 65 3HD2 LEU 65 -1.571 8.758 4.944 306 H ASN 66 H ASN 66 3.558 7.061 5.587 307 HA ASN 66 HA ASN 66 5.017 9.600 6.007 308 1HB ASN 66 1HB ASN 66 5.692 6.668 6.527 309 2HB ASN 66 2HB ASN 66 6.866 7.934 6.666 310 1HD2 ASN 66 1HD2 ASN 66 3.615 7.126 7.809 311 2HD2 ASN 66 2HD2 ASN 66 3.953 7.376 9.483 312 H GLY 67 H GLY 67 5.535 6.534 4.231 313 1HA GLY 67 1HA GLY 67 6.449 6.733 1.888 314 2HA GLY 67 2HA GLY 67 7.724 7.732 2.621 315 H GLN 68 H GLN 68 8.993 5.939 1.662 316 HA GLN 68 HA GLN 68 10.054 4.274 3.690 317 1HB GLN 68 1HB GLN 68 8.372 2.490 2.742 318 2HB GLN 68 2HB GLN 68 8.939 2.948 1.155 319 1HG GLN 68 1HG GLN 68 9.759 0.831 2.038 320 2HG GLN 68 2HG GLN 68 11.065 1.921 1.547 321 1HE2 GLN 68 1HE2 GLN 68 10.534 -0.492 3.532 322 2HE2 GLN 68 2HE2 GLN 68 11.403 0.069 4.962 323 H GLY 69 H GLY 69 12.255 3.566 2.740 324 1HA GLY 69 1HA GLY 69 14.063 4.991 1.828 325 2HA GLY 69 2HA GLY 69 13.803 3.545 0.852 326 H GLY 70 H GLY 70 12.950 3.804 -1.364 327 1HA GLY 70 1HA GLY 70 13.240 6.493 -2.494 328 2HA GLY 70 2HA GLY 70 13.025 4.949 -3.317 329 H MET 71 H MET 71 10.667 5.518 -0.868 330 HA MET 71 HA MET 71 8.569 5.826 -2.931 331 1HB MET 71 1HB MET 71 8.543 3.898 -1.388 332 2HB MET 71 2HB MET 71 8.492 4.969 -0.029 333 1HG MET 71 1HG MET 71 6.370 5.806 -0.509 334 2HG MET 71 2HG MET 71 6.279 5.028 -2.085 335 1HE MET 71 1HE MET 71 4.499 5.036 0.924 336 2HE MET 71 2HE MET 71 3.837 4.622 -0.675 337 3HE MET 71 3HE MET 71 3.696 3.474 0.663 338 HA PRO 72 HA PRO 72 8.575 10.049 -1.501 339 1HB PRO 72 1HB PRO 72 6.252 11.035 -2.634 340 2HB PRO 72 2HB PRO 72 7.756 10.700 -3.539 341 1HG PRO 72 1HG PRO 72 5.343 8.923 -3.245 342 2HG PRO 72 2HG PRO 72 6.219 9.324 -4.746 343 1HD PRO 72 1HD PRO 72 6.728 7.003 -3.466 344 2HD PRO 72 2HD PRO 72 8.088 7.970 -4.123 345 H GLY 73 H GLY 73 5.532 8.255 -1.070 346 1HA GLY 73 1HA GLY 73 4.390 7.887 0.919 347 2HA GLY 73 2HA GLY 73 5.490 8.998 1.748 348 H GLY 74 H GLY 74 2.778 8.962 2.233 349 1HA GLY 74 1HA GLY 74 1.005 10.404 2.523 350 2HA GLY 74 2HA GLY 74 1.979 11.724 1.847 351 H ILE 75 H ILE 75 1.687 8.787 0.044 352 HA ILE 75 HA ILE 75 0.650 10.050 -2.305 353 HB ILE 75 HB ILE 75 1.096 7.174 -1.436 354 1HG1 ILE 75 1HG1 ILE 75 2.674 8.532 -3.611 355 2HG1 ILE 75 2HG1 ILE 75 3.039 9.012 -1.951 356 1HG2 ILE 75 1HG2 ILE 75 -0.562 7.028 -3.165 357 2HG2 ILE 75 2HG2 ILE 75 0.288 8.234 -4.167 358 3HG2 ILE 75 3HG2 ILE 75 0.982 6.623 -3.910 359 1HD1 ILE 75 1HD1 ILE 75 4.335 6.961 -2.951 360 2HD1 ILE 75 2HD1 ILE 75 3.690 6.866 -1.296 361 3HD1 ILE 75 3HD1 ILE 75 2.833 6.091 -2.631 362 H ALA 76 H ALA 76 -0.776 8.286 0.410 363 HA ALA 76 HA ALA 76 -3.424 9.040 -0.523 364 1HB ALA 76 1HB ALA 76 -2.566 6.223 0.302 365 2HB ALA 76 2HB ALA 76 -4.246 6.757 0.376 366 3HB ALA 76 3HB ALA 76 -3.402 6.705 -1.189 367 H LYS 77 H LYS 77 -4.741 9.631 1.376 368 HA LYS 77 HA LYS 77 -3.610 8.965 3.985 369 1HB LYS 77 1HB LYS 77 -3.915 11.559 4.527 370 2HB LYS 77 2HB LYS 77 -2.391 10.783 4.062 371 1HG LYS 77 1HG LYS 77 -2.623 11.549 1.777 372 2HG LYS 77 2HG LYS 77 -4.190 12.310 2.164 373 1HD LYS 77 1HD LYS 77 -3.123 13.935 3.603 374 2HD LYS 77 2HD LYS 77 -1.684 12.935 3.788 375 1HE LYS 77 1HE LYS 77 -1.121 14.819 2.389 376 2HE LYS 77 2HE LYS 77 -0.990 13.307 1.486 377 1HZ LYS 77 1HZ LYS 77 -3.222 15.221 1.325 378 2HZ LYS 77 2HZ LYS 77 -2.062 14.959 0.184 379 3HZ LYS 77 3HZ LYS 77 -3.154 13.779 0.525 380 H GLY 78 H GLY 78 -4.814 9.648 5.846 381 1HA GLY 78 1HA GLY 78 -6.728 9.370 7.054 382 2HA GLY 78 2HA GLY 78 -7.563 10.312 5.802 383 H ALA 79 H ALA 79 -9.387 9.037 5.647 384 HA ALA 79 HA ALA 79 -9.905 6.425 5.663 385 1HB ALA 79 1HB ALA 79 -11.728 6.820 4.074 386 2HB ALA 79 2HB ALA 79 -11.585 8.153 5.237 387 3HB ALA 79 3HB ALA 79 -10.980 8.354 3.574 388 H GLU 80 H GLU 80 -8.302 8.067 2.967 389 HA GLU 80 HA GLU 80 -8.348 6.013 1.012 390 1HB GLU 80 1HB GLU 80 -7.656 8.586 1.034 391 2HB GLU 80 2HB GLU 80 -6.069 7.935 1.423 392 1HG GLU 80 1HG GLU 80 -6.183 6.647 -0.754 393 2HG GLU 80 2HG GLU 80 -7.725 7.446 -1.076 394 H ALA 81 H ALA 81 -5.747 6.883 3.451 395 HA ALA 81 HA ALA 81 -4.132 4.610 2.726 396 1HB ALA 81 1HB ALA 81 -2.698 5.388 4.518 397 2HB ALA 81 2HB ALA 81 -3.219 6.751 3.535 398 3HB ALA 81 3HB ALA 81 -3.975 6.474 5.123 399 H GLU 82 H GLU 82 -6.494 5.403 5.302 400 HA GLU 82 HA GLU 82 -6.129 3.137 6.983 401 1HB GLU 82 1HB GLU 82 -8.643 4.675 6.258 402 2HB GLU 82 2HB GLU 82 -8.513 3.543 7.600 403 1HG GLU 82 1HG GLU 82 -7.008 4.928 8.803 404 2HG GLU 82 2HG GLU 82 -6.636 5.935 7.406 405 H ALA 83 H ALA 83 -8.363 3.630 4.228 406 HA ALA 83 HA ALA 83 -9.386 1.018 4.070 407 1HB ALA 83 1HB ALA 83 -10.075 1.632 1.807 408 2HB ALA 83 2HB ALA 83 -10.344 2.976 2.906 409 3HB ALA 83 3HB ALA 83 -8.954 3.006 1.795 410 H VAL 84 H VAL 84 -6.578 2.480 2.271 411 HA VAL 84 HA VAL 84 -5.693 0.176 0.957 412 HB VAL 84 HB VAL 84 -3.968 2.304 2.288 413 1HG1 VAL 84 1HG1 VAL 84 -3.221 -0.010 0.477 414 2HG1 VAL 84 2HG1 VAL 84 -2.182 1.391 0.809 415 3HG1 VAL 84 3HG1 VAL 84 -2.634 0.277 2.093 416 1HG2 VAL 84 1HG2 VAL 84 -4.786 3.506 0.544 417 2HG2 VAL 84 2HG2 VAL 84 -3.543 2.632 -0.342 418 3HG2 VAL 84 3HG2 VAL 84 -5.236 2.074 -0.399 419 H ALA 85 H ALA 85 -4.518 1.202 4.210 420 HA ALA 85 HA ALA 85 -2.840 -1.000 4.631 421 1HB ALA 85 1HB ALA 85 -2.870 -0.318 6.961 422 2HB ALA 85 2HB ALA 85 -2.803 1.100 5.893 423 3HB ALA 85 3HB ALA 85 -4.329 0.661 6.700 424 H ALA 86 H ALA 86 -6.256 -0.545 5.698 425 HA ALA 86 HA ALA 86 -6.540 -3.039 7.019 426 1HB ALA 86 1HB ALA 86 -8.614 -1.380 5.516 427 2HB ALA 86 2HB ALA 86 -8.965 -2.701 6.653 428 3HB ALA 86 3HB ALA 86 -8.168 -1.221 7.229 429 H TRP 87 H TRP 87 -7.397 -2.149 3.627 430 HA TRP 87 HA TRP 87 -8.202 -4.723 2.753 431 1HB TRP 87 1HB TRP 87 -8.723 -2.781 1.517 432 2HB TRP 87 2HB TRP 87 -7.008 -2.320 1.421 433 HD1 TRP 87 HD TRP 87 -9.483 -4.639 -0.366 434 HE1 TRP 87 1HE TRP 87 -8.339 -5.638 -2.434 435 HE3 TRP 87 3HE TRP 87 -4.948 -2.264 -0.038 436 HZ2 TRP 87 2HZ TRP 87 -4.813 -5.217 -2.514 437 HZ3 TRP 87 3HZ TRP 87 -3.494 -2.350 -2.093 438 HH2 TRP 87 HH TRP 87 -4.263 -3.476 -4.120 439 H LEU 88 H LEU 88 -4.975 -3.203 2.819 440 HA LEU 88 HA LEU 88 -3.631 -5.259 1.383 441 1HB LEU 88 1HB LEU 88 -2.953 -2.722 2.459 442 2HB LEU 88 2HB LEU 88 -1.936 -3.846 3.311 443 HG LEU 88 HG LEU 88 -1.026 -2.848 1.241 444 1HD1 LEU 88 1HD1 LEU 88 0.186 -4.597 0.682 445 2HD1 LEU 88 2HD1 LEU 88 -0.506 -5.326 2.145 446 3HD1 LEU 88 3HD1 LEU 88 -1.161 -5.756 0.542 447 1HD2 LEU 88 1HD2 LEU 88 -2.750 -2.533 -0.074 448 2HD2 LEU 88 2HD2 LEU 88 -1.505 -3.451 -0.934 449 3HD2 LEU 88 3HD2 LEU 88 -2.976 -4.293 -0.412 450 H ALA 89 H ALA 89 -3.917 -4.610 4.884 451 HA ALA 89 HA ALA 89 -2.621 -6.964 5.822 452 1HB ALA 89 1HB ALA 89 -4.864 -5.344 7.060 453 2HB ALA 89 2HB ALA 89 -3.918 -6.602 7.886 454 3HB ALA 89 3HB ALA 89 -3.104 -5.142 7.290 455 H GLU 90 H GLU 90 -5.993 -6.388 4.760 456 HA GLU 90 HA GLU 90 -6.926 -9.027 5.429 457 1HB GLU 90 1HB GLU 90 -8.286 -6.891 5.086 458 2HB GLU 90 2HB GLU 90 -7.963 -7.067 3.361 459 1HG GLU 90 1HG GLU 90 -9.032 -9.546 3.915 460 2HG GLU 90 2HG GLU 90 -9.870 -8.539 5.096 461 H LYS 91 H LYS 91 -4.879 -7.842 2.803 462 HA LYS 91 HA LYS 91 -6.100 -9.313 0.700 463 1HB LYS 91 1HB LYS 91 -4.570 -7.176 0.826 464 2HB LYS 91 2HB LYS 91 -3.224 -8.292 0.773 465 1HG LYS 91 1HG LYS 91 -5.522 -8.102 -1.252 466 2HG LYS 91 2HG LYS 91 -3.974 -7.250 -1.364 467 1HD LYS 91 1HD LYS 91 -3.213 -9.904 -0.808 468 2HD LYS 91 2HD LYS 91 -4.553 -10.131 -1.948 469 1HE LYS 91 1HE LYS 91 -2.170 -8.284 -2.085 470 2HE LYS 91 2HE LYS 91 -2.110 -9.946 -2.664 471 1HZ LYS 91 1HZ LYS 91 -3.895 -9.323 -4.271 472 2HZ LYS 91 2HZ LYS 91 -3.882 -7.780 -3.715 473 3HZ LYS 91 3HZ LYS 91 -2.574 -8.372 -4.520 474 H LYS 92 H LYS 92 -3.862 -10.083 3.117 475 HA LYS 92 HA LYS 92 -1.807 -11.383 1.834 476 1HB LYS 92 1HB LYS 92 -1.044 -11.669 3.978 477 2HB LYS 92 2HB LYS 92 -1.864 -10.113 3.725 478 1HG LYS 92 1HG LYS 92 -3.951 -11.198 4.866 479 2HG LYS 92 2HG LYS 92 -3.015 -12.657 5.122 480 1HD LYS 92 1HD LYS 92 -1.624 -11.612 6.771 481 2HD LYS 92 2HD LYS 92 -2.315 -10.018 6.406 482 1HE LYS 92 1HE LYS 92 -4.552 -10.759 7.154 483 2HE LYS 92 2HE LYS 92 -3.932 -12.371 7.497 484 1HZ LYS 92 1HZ LYS 92 -2.584 -11.450 9.213 485 2HZ LYS 92 2HZ LYS 92 -2.962 -9.904 8.788 486 3HZ LYS 92 3HZ LYS 92 -4.117 -10.888 9.425 487 HHA HEC 93 HHA HEC 93 8.577 -0.119 0.533 488 HHB HEC 93 HHB HEC 93 2.161 -0.058 0.775 489 HHC HEC 93 HHC HEC 93 2.280 4.297 -3.971 490 HHD HEC 93 HHD HEC 93 8.529 3.251 -4.831 491 1HMA HEC 93 1HMA HEC 93 3.256 -0.694 3.027 492 2HMA HEC 93 2HMA HEC 93 3.401 -2.224 2.120 493 3HMA HEC 93 3HMA HEC 93 4.575 -1.811 3.384 494 1HAA HEC 93 1HAA HEC 93 6.803 -1.816 3.212 495 2HAA HEC 93 2HAA HEC 93 7.883 -0.579 2.689 496 1HBA HEC 93 1HBA HEC 93 8.024 -2.097 0.536 497 2HBA HEC 93 2HBA HEC 93 7.342 -3.343 1.558 498 1HMB HEC 93 1HMB HEC 93 0.126 -0.199 -1.009 499 2HMB HEC 93 2HMB HEC 93 0.025 0.776 0.463 500 3HMB HEC 93 3HMB HEC 93 -0.904 1.223 -0.978 501 HAB HEC 93 HAB HEC 93 0.327 4.134 -3.307 502 1HBB HEC 93 1HBB HEC 93 -1.769 4.415 -2.059 503 2HBB HEC 93 2HBB HEC 93 -1.151 3.375 -0.768 504 3HBB HEC 93 3HBB HEC 93 -0.331 4.893 -1.143 505 1HMC HEC 93 1HMC HEC 93 3.171 6.043 -5.331 506 2HMC HEC 93 2HMC HEC 93 4.315 5.979 -6.676 507 3HMC HEC 93 3HMC HEC 93 3.121 4.692 -6.482 508 HAC HEC 93 HAC HEC 93 7.882 4.388 -6.452 509 1HBC HEC 93 1HBC HEC 93 7.445 6.657 -7.487 510 2HBC HEC 93 2HBC HEC 93 6.261 6.912 -6.184 511 3HBC HEC 93 3HBC HEC 93 7.962 6.569 -5.805 512 1HMD HEC 93 1HMD HEC 93 10.159 1.801 -4.929 513 2HMD HEC 93 2HMD HEC 93 11.217 2.643 -3.766 514 3HMD HEC 93 3HMD HEC 93 11.229 0.864 -3.900 515 1HAD HEC 93 1HAD HEC 93 10.902 -0.599 -1.164 516 2HAD HEC 93 2HAD HEC 93 10.492 0.356 0.122 517 1HBD HEC 93 1HBD HEC 93 12.606 0.942 0.059 518 2HBD HEC 93 2HBD HEC 93 11.721 2.330 -0.593 Start of MODEL 4 1 1H VAL 22 1H VAL 22 -14.371 4.333 -0.025 2 2H VAL 22 2H VAL 22 -13.187 4.464 1.117 3 3H VAL 22 3H VAL 22 -14.022 5.832 0.621 4 HA VAL 22 HA VAL 22 -13.211 5.424 -1.607 5 HB VAL 22 HB VAL 22 -10.842 5.579 0.307 6 1HG1 VAL 22 1HG1 VAL 22 -9.882 6.929 -1.526 7 2HG1 VAL 22 2HG1 VAL 22 -10.372 5.345 -2.141 8 3HG1 VAL 22 3HG1 VAL 22 -11.379 6.766 -2.461 9 1HG2 VAL 22 1HG2 VAL 22 -12.445 7.243 1.111 10 2HG2 VAL 22 2HG2 VAL 22 -11.167 8.057 0.205 11 3HG2 VAL 22 3HG2 VAL 22 -12.751 7.802 -0.553 12 H ASP 23 H ASP 23 -13.018 3.695 -2.755 13 HA ASP 23 HA ASP 23 -12.855 1.167 -1.846 14 1HB ASP 23 1HB ASP 23 -12.357 2.216 -4.659 15 2HB ASP 23 2HB ASP 23 -12.849 0.566 -4.248 16 H ALA 24 H ALA 24 -11.145 0.486 -0.746 17 HA ALA 24 HA ALA 24 -8.634 1.387 -0.746 18 1HB ALA 24 1HB ALA 24 -9.406 -1.506 -0.247 19 2HB ALA 24 2HB ALA 24 -7.976 -0.637 0.377 20 3HB ALA 24 3HB ALA 24 -9.607 -0.195 0.924 21 H GLU 25 H GLU 25 -9.627 -1.564 -2.573 22 HA GLU 25 HA GLU 25 -7.041 -1.955 -3.647 23 1HB GLU 25 1HB GLU 25 -7.853 -3.723 -4.790 24 2HB GLU 25 2HB GLU 25 -9.162 -3.549 -3.610 25 1HG GLU 25 1HG GLU 25 -10.477 -2.322 -5.257 26 2HG GLU 25 2HG GLU 25 -9.165 -2.551 -6.476 27 H ALA 26 H ALA 26 -9.781 0.050 -4.782 28 HA ALA 26 HA ALA 26 -8.731 0.639 -7.359 29 1HB ALA 26 1HB ALA 26 -10.414 2.535 -5.709 30 2HB ALA 26 2HB ALA 26 -10.258 2.441 -7.462 31 3HB ALA 26 3HB ALA 26 -11.083 1.132 -6.590 32 H VAL 27 H VAL 27 -8.325 2.247 -4.170 33 HA VAL 27 HA VAL 27 -6.422 4.291 -4.991 34 HB VAL 27 HB VAL 27 -6.472 2.726 -2.374 35 1HG1 VAL 27 1HG1 VAL 27 -5.152 5.362 -3.125 36 2HG1 VAL 27 2HG1 VAL 27 -5.221 4.664 -1.507 37 3HG1 VAL 27 3HG1 VAL 27 -4.304 3.841 -2.768 38 1HG2 VAL 27 1HG2 VAL 27 -7.697 5.418 -3.105 39 2HG2 VAL 27 2HG2 VAL 27 -8.600 3.925 -2.760 40 3HG2 VAL 27 3HG2 VAL 27 -7.650 4.696 -1.482 41 H VAL 28 H VAL 28 -5.658 0.767 -3.907 42 HA VAL 28 HA VAL 28 -3.016 1.561 -4.461 43 HB VAL 28 HB VAL 28 -4.117 -1.199 -4.165 44 1HG1 VAL 28 1HG1 VAL 28 -1.903 -1.875 -3.442 45 2HG1 VAL 28 2HG1 VAL 28 -1.714 -0.956 -4.936 46 3HG1 VAL 28 3HG1 VAL 28 -1.354 -0.213 -3.355 47 1HG2 VAL 28 1HG2 VAL 28 -4.789 -0.096 -2.157 48 2HG2 VAL 28 2HG2 VAL 28 -3.138 -0.537 -1.699 49 3HG2 VAL 28 3HG2 VAL 28 -3.465 1.085 -2.255 50 H GLN 29 H GLN 29 -5.316 -0.108 -6.367 51 HA GLN 29 HA GLN 29 -3.868 -0.621 -8.753 52 1HB GLN 29 1HB GLN 29 -6.815 -0.317 -8.101 53 2HB GLN 29 2HB GLN 29 -6.270 -0.834 -9.665 54 1HG GLN 29 1HG GLN 29 -5.661 -2.315 -7.083 55 2HG GLN 29 2HG GLN 29 -6.865 -2.761 -8.296 56 1HE2 GLN 29 1HE2 GLN 29 -4.099 -3.942 -7.256 57 2HE2 GLN 29 2HE2 GLN 29 -3.245 -4.267 -8.761 58 H GLN 30 H GLN 30 -4.580 2.457 -7.495 59 HA GLN 30 HA GLN 30 -3.808 3.469 -10.186 60 1HB GLN 30 1HB GLN 30 -6.394 3.789 -9.086 61 2HB GLN 30 2HB GLN 30 -5.602 5.342 -8.818 62 1HG GLN 30 1HG GLN 30 -5.007 5.455 -11.225 63 2HG GLN 30 2HG GLN 30 -5.675 3.831 -11.477 64 1HE2 GLN 30 1HE2 GLN 30 -6.766 6.969 -10.021 65 2HE2 GLN 30 2HE2 GLN 30 -8.353 6.900 -10.776 66 H LYS 31 H LYS 31 -3.169 3.621 -6.836 67 HA LYS 31 HA LYS 31 -1.615 6.155 -7.112 68 1HB LYS 31 1HB LYS 31 -3.115 4.759 -4.872 69 2HB LYS 31 2HB LYS 31 -1.869 5.855 -4.485 70 1HG LYS 31 1HG LYS 31 -3.700 7.003 -6.509 71 2HG LYS 31 2HG LYS 31 -4.503 6.541 -5.002 72 1HD LYS 31 1HD LYS 31 -2.867 7.766 -3.672 73 2HD LYS 31 2HD LYS 31 -1.979 8.243 -5.138 74 1HE LYS 31 1HE LYS 31 -3.495 9.852 -5.727 75 2HE LYS 31 2HE LYS 31 -4.882 8.981 -5.032 76 1HZ LYS 31 1HZ LYS 31 -4.355 9.628 -2.934 77 2HZ LYS 31 2HZ LYS 31 -2.858 10.172 -3.272 78 3HZ LYS 31 3HZ LYS 31 -4.202 11.012 -3.789 79 H CYS 32 H CYS 32 -1.309 2.685 -6.613 80 HA CYS 32 HA CYS 32 1.473 3.082 -5.577 81 1HB CYS 32 1HB CYS 32 -0.308 0.747 -5.099 82 2HB CYS 32 2HB CYS 32 1.099 1.204 -4.163 83 H ILE 33 H ILE 33 -0.637 1.013 -7.620 84 HA ILE 33 HA ILE 33 1.248 -0.744 -8.623 85 HB ILE 33 HB ILE 33 -0.037 -0.775 -10.718 86 1HG1 ILE 33 1HG1 ILE 33 -1.947 1.268 -9.550 87 2HG1 ILE 33 2HG1 ILE 33 -0.661 1.741 -10.655 88 1HG2 ILE 33 1HG2 ILE 33 -2.104 -1.665 -9.725 89 2HG2 ILE 33 2HG2 ILE 33 -0.689 -2.148 -8.798 90 3HG2 ILE 33 3HG2 ILE 33 -1.714 -0.867 -8.187 91 1HD1 ILE 33 1HD1 ILE 33 -2.659 1.415 -11.934 92 2HD1 ILE 33 2HD1 ILE 33 -1.450 0.203 -12.381 93 3HD1 ILE 33 3HD1 ILE 33 -2.827 -0.255 -11.356 94 H SER 34 H SER 34 0.942 2.693 -9.359 95 HA SER 34 HA SER 34 2.373 3.161 -11.576 96 1HB SER 34 1HB SER 34 2.815 4.602 -8.935 97 2HB SER 34 2HB SER 34 2.825 5.298 -10.567 98 HG SER 34 HG SER 34 0.582 4.822 -10.680 99 H CYS 35 H CYS 35 3.728 2.065 -8.447 100 HA CYS 35 HA CYS 35 6.364 1.742 -9.821 101 1HB CYS 35 1HB CYS 35 6.205 2.157 -6.831 102 2HB CYS 35 2HB CYS 35 7.573 2.284 -7.918 103 H HIS 36 H HIS 36 4.096 0.440 -7.336 104 HA HIS 36 HA HIS 36 5.672 -1.954 -6.980 105 1HB HIS 36 1HB HIS 36 2.869 -1.160 -6.182 106 2HB HIS 36 2HB HIS 36 3.607 -2.723 -5.771 107 HD1 HIS 36 1HD HIS 36 5.749 -2.676 -4.084 108 HD2 HIS 36 2HD HIS 36 3.684 0.970 -4.706 109 HE1 HIS 36 1HE HIS 36 6.440 -1.089 -2.218 110 H GLY 37 H GLY 37 3.533 -1.073 -9.549 111 1HA GLY 37 1HA GLY 37 3.300 -2.264 -11.506 112 2HA GLY 37 2HA GLY 37 3.856 -3.759 -10.734 113 H GLY 38 H GLY 38 1.503 -3.456 -12.397 114 1HA GLY 38 1HA GLY 38 -0.945 -2.947 -11.404 115 2HA GLY 38 2HA GLY 38 -0.628 -4.309 -12.477 116 H ASP 39 H ASP 39 0.527 -6.226 -11.099 117 HA ASP 39 HA ASP 39 -1.576 -7.121 -9.302 118 1HB ASP 39 1HB ASP 39 1.016 -8.437 -10.188 119 2HB ASP 39 2HB ASP 39 -0.308 -9.234 -9.323 120 H LEU 40 H LEU 40 0.974 -5.110 -8.653 121 HA LEU 40 HA LEU 40 2.145 -4.488 -6.848 122 1HB LEU 40 1HB LEU 40 0.014 -6.020 -5.311 123 2HB LEU 40 2HB LEU 40 1.094 -4.807 -4.653 124 HG LEU 40 HG LEU 40 -0.473 -3.982 -7.110 125 1HD1 LEU 40 1HD1 LEU 40 -2.414 -3.349 -5.782 126 2HD1 LEU 40 2HD1 LEU 40 -2.220 -5.106 -5.924 127 3HD1 LEU 40 3HD1 LEU 40 -1.787 -4.288 -4.403 128 1HD2 LEU 40 1HD2 LEU 40 -0.248 -1.860 -6.221 129 2HD2 LEU 40 2HD2 LEU 40 0.009 -2.482 -4.568 130 3HD2 LEU 40 3HD2 LEU 40 1.268 -2.641 -5.788 131 H THR 41 H THR 41 2.785 -6.927 -8.273 132 HA THR 41 HA THR 41 4.108 -8.781 -6.516 133 HB THR 41 HB THR 41 4.873 -9.468 -8.950 134 HG1 THR 41 1HG THR 41 3.390 -8.537 -10.499 135 1HG2 THR 41 1HG2 THR 41 2.613 -10.452 -9.407 136 2HG2 THR 41 2HG2 THR 41 3.124 -10.682 -7.724 137 3HG2 THR 41 3HG2 THR 41 1.928 -9.438 -8.122 138 H GLY 42 H GLY 42 4.870 -5.611 -7.734 139 1HA GLY 42 1HA GLY 42 6.614 -4.501 -6.781 140 2HA GLY 42 2HA GLY 42 7.552 -5.987 -6.567 141 H ALA 43 H ALA 43 6.432 -3.658 -9.006 142 HA ALA 43 HA ALA 43 8.374 -4.601 -11.000 143 1HB ALA 43 1HB ALA 43 6.249 -3.823 -11.780 144 2HB ALA 43 2HB ALA 43 6.450 -2.246 -11.005 145 3HB ALA 43 3HB ALA 43 7.508 -2.714 -12.354 146 H SER 44 H SER 44 7.956 -1.213 -9.949 147 HA SER 44 HA SER 44 10.897 -0.796 -9.941 148 1HB SER 44 1HB SER 44 8.515 1.086 -9.932 149 2HB SER 44 2HB SER 44 10.191 1.621 -9.757 150 HG SER 44 HG SER 44 9.639 1.697 -11.926 151 H ALA 45 H ALA 45 8.775 -1.919 -7.728 152 HA ALA 45 HA ALA 45 10.165 -0.812 -5.378 153 1HB ALA 45 1HB ALA 45 7.146 -0.775 -5.820 154 2HB ALA 45 2HB ALA 45 7.978 -0.332 -4.321 155 3HB ALA 45 3HB ALA 45 8.177 0.653 -5.776 156 HA PRO 46 HA PRO 46 9.850 -5.128 -4.523 157 1HB PRO 46 1HB PRO 46 9.324 -5.362 -1.817 158 2HB PRO 46 2HB PRO 46 10.893 -4.826 -2.484 159 1HG PRO 46 1HG PRO 46 8.598 -3.094 -1.551 160 2HG PRO 46 2HG PRO 46 10.316 -2.981 -1.059 161 1HD PRO 46 1HD PRO 46 9.322 -1.389 -3.001 162 2HD PRO 46 2HD PRO 46 10.929 -2.131 -3.241 163 H ALA 47 H ALA 47 8.416 -6.890 -3.846 164 HA ALA 47 HA ALA 47 5.731 -6.552 -4.760 165 1HB ALA 47 1HB ALA 47 6.916 -8.824 -3.093 166 2HB ALA 47 2HB ALA 47 5.465 -8.889 -4.114 167 3HB ALA 47 3HB ALA 47 7.073 -8.705 -4.849 168 H ILE 48 H ILE 48 4.019 -5.769 -3.627 169 HA ILE 48 HA ILE 48 4.097 -6.063 -0.663 170 HB ILE 48 HB ILE 48 3.047 -3.967 -0.247 171 1HG1 ILE 48 1HG1 ILE 48 3.274 -2.148 -2.017 172 2HG1 ILE 48 2HG1 ILE 48 3.306 -3.433 -3.206 173 1HG2 ILE 48 1HG2 ILE 48 5.510 -4.245 -0.188 174 2HG2 ILE 48 2HG2 ILE 48 5.589 -3.647 -1.858 175 3HG2 ILE 48 3HG2 ILE 48 5.007 -2.591 -0.563 176 1HD1 ILE 48 1HD1 ILE 48 0.981 -4.068 -2.436 177 2HD1 ILE 48 2HD1 ILE 48 1.137 -2.949 -1.063 178 3HD1 ILE 48 3HD1 ILE 48 1.054 -2.307 -2.697 179 H ASP 49 H ASP 49 2.575 -7.212 -3.382 180 HA ASP 49 HA ASP 49 -0.051 -7.422 -2.481 181 1HB ASP 49 1HB ASP 49 -0.329 -9.117 -3.944 182 2HB ASP 49 2HB ASP 49 1.174 -8.473 -4.591 183 H LYS 50 H LYS 50 2.805 -9.024 -1.148 184 HA LYS 50 HA LYS 50 1.161 -10.385 0.941 185 1HB LYS 50 1HB LYS 50 3.812 -10.988 -0.301 186 2HB LYS 50 2HB LYS 50 3.694 -11.268 1.431 187 1HG LYS 50 1HG LYS 50 3.100 -13.306 0.395 188 2HG LYS 50 2HG LYS 50 1.628 -12.630 1.121 189 1HD LYS 50 1HD LYS 50 1.030 -11.652 -1.103 190 2HD LYS 50 2HD LYS 50 2.497 -12.376 -1.790 191 1HE LYS 50 1HE LYS 50 1.482 -14.648 -1.093 192 2HE LYS 50 2HE LYS 50 0.007 -13.744 -0.685 193 1HZ LYS 50 1HZ LYS 50 -0.238 -14.417 -2.923 194 2HZ LYS 50 2HZ LYS 50 0.222 -12.817 -3.013 195 3HZ LYS 50 3HZ LYS 50 1.307 -13.967 -3.320 196 H ALA 51 H ALA 51 2.270 -7.365 0.688 197 HA ALA 51 HA ALA 51 3.898 -7.026 2.994 198 1HB ALA 51 1HB ALA 51 1.961 -5.161 1.623 199 2HB ALA 51 2HB ALA 51 3.000 -4.680 2.969 200 3HB ALA 51 3HB ALA 51 3.728 -5.269 1.460 201 H GLY 52 H GLY 52 0.321 -7.448 2.686 202 1HA GLY 52 1HA GLY 52 -0.332 -6.929 5.391 203 2HA GLY 52 2HA GLY 52 -1.178 -8.033 4.282 204 H ALA 53 H ALA 53 1.117 -9.816 3.872 205 HA ALA 53 HA ALA 53 0.764 -11.489 6.253 206 1HB ALA 53 1HB ALA 53 2.130 -13.095 5.054 207 2HB ALA 53 2HB ALA 53 0.866 -12.470 3.977 208 3HB ALA 53 3HB ALA 53 2.542 -11.900 3.814 209 H ASN 54 H ASN 54 3.353 -9.577 4.717 210 HA ASN 54 HA ASN 54 5.399 -10.405 6.608 211 1HB ASN 54 1HB ASN 54 5.312 -8.103 4.610 212 2HB ASN 54 2HB ASN 54 6.706 -8.504 5.611 213 1HD2 ASN 54 1HD2 ASN 54 4.610 -9.797 3.001 214 2HD2 ASN 54 2HD2 ASN 54 5.855 -10.878 2.389 215 H TYR 55 H TYR 55 3.219 -7.617 6.374 216 HA TYR 55 HA TYR 55 4.267 -6.454 8.906 217 1HB TYR 55 1HB TYR 55 3.388 -4.844 6.499 218 2HB TYR 55 2HB TYR 55 4.277 -4.299 7.916 219 HD1 TYR 55 1HD TYR 55 4.644 -4.719 4.542 220 HD2 TYR 55 2HD TYR 55 6.639 -5.747 8.218 221 HE1 TYR 55 1HE TYR 55 6.803 -4.844 3.331 222 HE2 TYR 55 2HE TYR 55 8.792 -5.903 6.995 223 HH TYR 55 HH TYR 55 9.191 -4.906 3.627 224 H SER 56 H SER 56 2.593 -5.050 9.935 225 HA SER 56 HA SER 56 -0.145 -6.147 9.448 226 1HB SER 56 1HB SER 56 1.074 -4.678 11.816 227 2HB SER 56 2HB SER 56 -0.623 -5.179 11.697 228 HG SER 56 HG SER 56 1.568 -6.955 11.363 229 H GLU 57 H GLU 57 -1.979 -4.604 9.615 230 HA GLU 57 HA GLU 57 -1.898 -2.656 7.663 231 1HB GLU 57 1HB GLU 57 -3.950 -1.709 8.881 232 2HB GLU 57 2HB GLU 57 -4.071 -3.335 8.239 233 1HG GLU 57 1HG GLU 57 -4.010 -4.347 10.356 234 2HG GLU 57 2HG GLU 57 -3.212 -2.970 11.134 235 H GLU 58 H GLU 58 -1.451 -2.101 11.186 236 HA GLU 58 HA GLU 58 -0.998 0.604 11.265 237 1HB GLU 58 1HB GLU 58 0.651 0.037 13.142 238 2HB GLU 58 2HB GLU 58 -1.018 -0.505 13.298 239 1HG GLU 58 1HG GLU 58 -0.370 -2.817 12.675 240 2HG GLU 58 2HG GLU 58 1.316 -2.287 12.484 241 H GLU 59 H GLU 59 1.594 -1.794 10.553 242 HA GLU 59 HA GLU 59 3.702 0.065 10.165 243 1HB GLU 59 1HB GLU 59 3.156 -2.677 8.961 244 2HB GLU 59 2HB GLU 59 4.705 -1.843 8.830 245 1HG GLU 59 1HG GLU 59 3.584 -2.282 11.609 246 2HG GLU 59 2HG GLU 59 4.259 -3.659 10.725 247 H ILE 60 H ILE 60 1.431 -1.451 7.885 248 HA ILE 60 HA ILE 60 2.658 -0.369 5.515 249 HB ILE 60 HB ILE 60 -0.181 -1.352 5.887 250 1HG1 ILE 60 1HG1 ILE 60 2.284 -2.930 5.001 251 2HG1 ILE 60 2HG1 ILE 60 1.562 -3.036 6.600 252 1HG2 ILE 60 1HG2 ILE 60 -0.465 -1.330 3.627 253 2HG2 ILE 60 2HG2 ILE 60 0.827 -0.115 3.641 254 3HG2 ILE 60 3HG2 ILE 60 1.205 -1.795 3.286 255 1HD1 ILE 60 1HD1 ILE 60 -0.608 -3.753 5.542 256 2HD1 ILE 60 2HD1 ILE 60 0.298 -3.917 4.012 257 3HD1 ILE 60 3HD1 ILE 60 0.753 -4.881 5.429 258 H LEU 61 H LEU 61 -0.144 0.568 7.490 259 HA LEU 61 HA LEU 61 -1.078 2.835 6.163 260 1HB LEU 61 1HB LEU 61 -2.124 1.720 8.104 261 2HB LEU 61 2HB LEU 61 -0.871 2.317 9.165 262 HG LEU 61 HG LEU 61 -1.530 4.635 8.756 263 1HD1 LEU 61 1HD1 LEU 61 -3.666 3.366 7.005 264 2HD1 LEU 61 2HD1 LEU 61 -3.749 5.046 7.581 265 3HD1 LEU 61 3HD1 LEU 61 -2.434 4.547 6.510 266 1HD2 LEU 61 1HD2 LEU 61 -3.664 4.573 9.960 267 2HD2 LEU 61 2HD2 LEU 61 -3.865 2.854 9.555 268 3HD2 LEU 61 3HD2 LEU 61 -2.535 3.373 10.617 269 H ASP 62 H ASP 62 1.373 2.596 8.800 270 HA ASP 62 HA ASP 62 2.022 5.354 8.764 271 1HB ASP 62 1HB ASP 62 3.135 2.959 10.012 272 2HB ASP 62 2HB ASP 62 4.436 3.950 9.362 273 H ILE 63 H ILE 63 3.375 2.618 6.877 274 HA ILE 63 HA ILE 63 5.405 4.222 5.604 275 HB ILE 63 HB ILE 63 4.104 1.556 5.025 276 1HG1 ILE 63 1HG1 ILE 63 7.055 2.196 5.180 277 2HG1 ILE 63 2HG1 ILE 63 6.091 2.118 6.664 278 1HG2 ILE 63 1HG2 ILE 63 5.723 1.324 3.078 279 2HG2 ILE 63 2HG2 ILE 63 4.276 2.284 2.784 280 3HG2 ILE 63 3HG2 ILE 63 5.852 3.081 3.063 281 1HD1 ILE 63 1HD1 ILE 63 5.414 -0.165 6.218 282 2HD1 ILE 63 2HD1 ILE 63 6.242 -0.162 4.651 283 3HD1 ILE 63 3HD1 ILE 63 7.182 -0.045 6.147 284 H ILE 64 H ILE 64 2.037 3.526 4.626 285 HA ILE 64 HA ILE 64 2.153 4.893 2.115 286 HB ILE 64 HB ILE 64 -0.117 4.371 4.070 287 1HG1 ILE 64 1HG1 ILE 64 0.331 3.003 1.415 288 2HG1 ILE 64 2HG1 ILE 64 1.281 2.472 2.805 289 1HG2 ILE 64 1HG2 ILE 64 -1.593 4.732 2.037 290 2HG2 ILE 64 2HG2 ILE 64 -0.850 6.200 2.682 291 3HG2 ILE 64 3HG2 ILE 64 -0.181 5.440 1.227 292 1HD1 ILE 64 1HD1 ILE 64 -1.753 2.584 2.774 293 2HD1 ILE 64 2HD1 ILE 64 -0.727 1.135 2.617 294 3HD1 ILE 64 3HD1 ILE 64 -0.746 2.051 4.118 295 H LEU 65 H LEU 65 1.178 5.986 5.376 296 HA LEU 65 HA LEU 65 0.608 8.682 4.599 297 1HB LEU 65 1HB LEU 65 1.272 7.414 7.270 298 2HB LEU 65 2HB LEU 65 0.682 9.066 7.082 299 HG LEU 65 HG LEU 65 -0.968 6.629 6.197 300 1HD1 LEU 65 1HD1 LEU 65 -2.183 6.970 8.310 301 2HD1 LEU 65 2HD1 LEU 65 -0.473 6.660 8.677 302 3HD1 LEU 65 3HD1 LEU 65 -1.109 8.311 8.753 303 1HD2 LEU 65 1HD2 LEU 65 -1.654 9.551 6.579 304 2HD2 LEU 65 2HD2 LEU 65 -1.590 8.588 5.070 305 3HD2 LEU 65 3HD2 LEU 65 -2.809 8.235 6.307 306 H ASN 66 H ASN 66 3.583 7.098 5.576 307 HA ASN 66 HA ASN 66 5.025 9.644 6.088 308 1HB ASN 66 1HB ASN 66 5.659 6.706 6.628 309 2HB ASN 66 2HB ASN 66 6.851 7.952 6.771 310 1HD2 ASN 66 1HD2 ASN 66 3.620 7.103 7.913 311 2HD2 ASN 66 2HD2 ASN 66 3.939 7.405 9.586 312 H GLY 67 H GLY 67 5.600 6.544 4.345 313 1HA GLY 67 1HA GLY 67 6.530 6.787 2.001 314 2HA GLY 67 2HA GLY 67 7.789 7.781 2.768 315 H GLN 68 H GLN 68 9.022 6.021 1.723 316 HA GLN 68 HA GLN 68 10.104 4.242 3.667 317 1HB GLN 68 1HB GLN 68 8.480 2.505 2.605 318 2HB GLN 68 2HB GLN 68 8.968 3.119 1.043 319 1HG GLN 68 1HG GLN 68 9.848 0.989 1.727 320 2HG GLN 68 2HG GLN 68 11.129 2.130 1.253 321 1HE2 GLN 68 1HE2 GLN 68 10.424 -0.397 3.235 322 2HE2 GLN 68 2HE2 GLN 68 11.393 0.063 4.625 323 H GLY 69 H GLY 69 12.373 3.707 2.694 324 1HA GLY 69 1HA GLY 69 13.859 5.731 1.988 325 2HA GLY 69 2HA GLY 69 14.196 4.159 1.264 326 H GLY 70 H GLY 70 13.026 3.740 -0.920 327 1HA GLY 70 1HA GLY 70 13.295 6.099 -2.652 328 2HA GLY 70 2HA GLY 70 13.110 4.411 -3.120 329 H MET 71 H MET 71 10.801 5.707 -0.819 330 HA MET 71 HA MET 71 8.690 5.766 -2.935 331 1HB MET 71 1HB MET 71 8.626 3.888 -1.324 332 2HB MET 71 2HB MET 71 8.560 5.037 -0.010 333 1HG MET 71 1HG MET 71 6.441 5.823 -0.548 334 2HG MET 71 2HG MET 71 6.395 5.011 -2.112 335 1HE MET 71 1HE MET 71 4.624 5.032 0.968 336 2HE MET 71 2HE MET 71 3.914 4.694 -0.629 337 3HE MET 71 3HE MET 71 3.786 3.494 0.676 338 HA PRO 72 HA PRO 72 8.624 10.037 -1.745 339 1HB PRO 72 1HB PRO 72 6.215 10.905 -2.781 340 2HB PRO 72 2HB PRO 72 7.654 10.521 -3.767 341 1HG PRO 72 1HG PRO 72 5.314 8.706 -3.156 342 2HG PRO 72 2HG PRO 72 6.042 9.046 -4.751 343 1HD PRO 72 1HD PRO 72 6.709 6.833 -3.385 344 2HD PRO 72 2HD PRO 72 7.997 7.778 -4.194 345 H GLY 73 H GLY 73 5.672 8.202 -1.025 346 1HA GLY 73 1HA GLY 73 4.653 7.915 1.043 347 2HA GLY 73 2HA GLY 73 5.791 9.079 1.747 348 H GLY 74 H GLY 74 2.985 8.913 2.292 349 1HA GLY 74 1HA GLY 74 1.196 10.297 2.579 350 2HA GLY 74 2HA GLY 74 2.158 11.667 1.978 351 H ILE 75 H ILE 75 2.003 8.854 -0.033 352 HA ILE 75 HA ILE 75 0.812 10.154 -2.253 353 HB ILE 75 HB ILE 75 1.427 7.295 -1.464 354 1HG1 ILE 75 1HG1 ILE 75 3.171 8.968 -2.271 355 2HG1 ILE 75 2HG1 ILE 75 3.114 7.397 -3.086 356 1HG2 ILE 75 1HG2 ILE 75 0.820 6.565 -3.774 357 2HG2 ILE 75 2HG2 ILE 75 -0.561 6.921 -2.728 358 3HG2 ILE 75 3HG2 ILE 75 -0.066 8.088 -3.974 359 1HD1 ILE 75 1HD1 ILE 75 3.444 9.289 -4.666 360 2HD1 ILE 75 2HD1 ILE 75 1.986 8.366 -5.025 361 3HD1 ILE 75 3HD1 ILE 75 1.865 9.944 -4.219 362 H ALA 76 H ALA 76 -0.550 8.305 0.452 363 HA ALA 76 HA ALA 76 -3.213 9.136 -0.418 364 1HB ALA 76 1HB ALA 76 -3.257 6.810 -1.064 365 2HB ALA 76 2HB ALA 76 -2.352 6.320 0.381 366 3HB ALA 76 3HB ALA 76 -4.024 6.862 0.541 367 H LYS 77 H LYS 77 -4.541 9.726 1.426 368 HA LYS 77 HA LYS 77 -3.336 9.320 4.081 369 1HB LYS 77 1HB LYS 77 -3.713 12.037 2.766 370 2HB LYS 77 2HB LYS 77 -3.724 11.801 4.509 371 1HG LYS 77 1HG LYS 77 -1.458 10.626 4.254 372 2HG LYS 77 2HG LYS 77 -1.423 11.211 2.598 373 1HD LYS 77 1HD LYS 77 -1.089 13.393 3.192 374 2HD LYS 77 2HD LYS 77 -1.913 13.271 4.745 375 1HE LYS 77 1HE LYS 77 0.800 11.968 4.157 376 2HE LYS 77 2HE LYS 77 0.622 13.580 4.852 377 1HZ LYS 77 1HZ LYS 77 0.986 11.870 6.492 378 2HZ LYS 77 2HZ LYS 77 -0.459 12.629 6.736 379 3HZ LYS 77 3HZ LYS 77 -0.409 11.118 6.086 380 H GLY 78 H GLY 78 -4.618 9.734 5.877 381 1HA GLY 78 1HA GLY 78 -6.548 9.514 7.080 382 2HA GLY 78 2HA GLY 78 -7.369 10.418 5.792 383 H ALA 79 H ALA 79 -9.191 9.176 5.625 384 HA ALA 79 HA ALA 79 -9.669 6.527 5.808 385 1HB ALA 79 1HB ALA 79 -11.403 8.226 5.402 386 2HB ALA 79 2HB ALA 79 -10.866 8.389 3.713 387 3HB ALA 79 3HB ALA 79 -11.570 6.860 4.281 388 H GLU 80 H GLU 80 -8.211 8.147 3.031 389 HA GLU 80 HA GLU 80 -8.251 6.090 1.100 390 1HB GLU 80 1HB GLU 80 -7.564 8.643 1.074 391 2HB GLU 80 2HB GLU 80 -5.985 8.038 1.565 392 1HG GLU 80 1HG GLU 80 -5.987 6.647 -0.555 393 2HG GLU 80 2HG GLU 80 -7.492 7.458 -1.008 394 H ALA 81 H ALA 81 -5.655 6.946 3.534 395 HA ALA 81 HA ALA 81 -4.010 4.716 2.743 396 1HB ALA 81 1HB ALA 81 -3.852 6.485 5.205 397 2HB ALA 81 2HB ALA 81 -2.554 5.487 4.498 398 3HB ALA 81 3HB ALA 81 -3.160 6.895 3.618 399 H GLU 82 H GLU 82 -6.354 5.413 5.365 400 HA GLU 82 HA GLU 82 -5.923 3.068 6.942 401 1HB GLU 82 1HB GLU 82 -8.411 4.732 6.404 402 2HB GLU 82 2HB GLU 82 -8.326 3.457 7.621 403 1HG GLU 82 1HG GLU 82 -6.597 4.613 8.849 404 2HG GLU 82 2HG GLU 82 -6.419 5.842 7.589 405 H ALA 83 H ALA 83 -8.221 3.679 4.263 406 HA ALA 83 HA ALA 83 -9.325 1.106 4.068 407 1HB ALA 83 1HB ALA 83 -10.241 3.093 2.936 408 2HB ALA 83 2HB ALA 83 -8.844 3.137 1.839 409 3HB ALA 83 3HB ALA 83 -9.980 1.780 1.793 410 H VAL 84 H VAL 84 -6.510 2.513 2.259 411 HA VAL 84 HA VAL 84 -5.688 0.171 0.936 412 HB VAL 84 HB VAL 84 -3.952 2.348 2.179 413 1HG1 VAL 84 1HG1 VAL 84 -2.175 1.430 0.719 414 2HG1 VAL 84 2HG1 VAL 84 -2.609 0.274 1.974 415 3HG1 VAL 84 3HG1 VAL 84 -3.213 0.039 0.342 416 1HG2 VAL 84 1HG2 VAL 84 -5.160 3.278 0.338 417 2HG2 VAL 84 2HG2 VAL 84 -3.552 2.864 -0.278 418 3HG2 VAL 84 3HG2 VAL 84 -4.945 1.817 -0.637 419 H ALA 85 H ALA 85 -4.462 1.262 4.152 420 HA ALA 85 HA ALA 85 -2.798 -0.889 4.676 421 1HB ALA 85 1HB ALA 85 -4.442 0.755 6.646 422 2HB ALA 85 2HB ALA 85 -3.027 -0.243 7.031 423 3HB ALA 85 3HB ALA 85 -2.852 1.169 5.964 424 H ALA 86 H ALA 86 -6.257 -0.582 5.662 425 HA ALA 86 HA ALA 86 -6.461 -3.118 6.929 426 1HB ALA 86 1HB ALA 86 -8.149 -1.362 7.163 427 2HB ALA 86 2HB ALA 86 -8.576 -1.493 5.444 428 3HB ALA 86 3HB ALA 86 -8.895 -2.851 6.547 429 H TRP 87 H TRP 87 -7.351 -2.181 3.562 430 HA TRP 87 HA TRP 87 -8.067 -4.766 2.634 431 1HB TRP 87 1HB TRP 87 -8.674 -2.746 1.522 432 2HB TRP 87 2HB TRP 87 -6.971 -2.288 1.325 433 HD1 TRP 87 HD TRP 87 -9.569 -4.585 -0.319 434 HE1 TRP 87 1HE TRP 87 -8.573 -5.591 -2.430 435 HE3 TRP 87 3HE TRP 87 -4.970 -2.307 -0.215 436 HZ2 TRP 87 2HZ TRP 87 -4.990 -5.283 -2.605 437 HZ3 TRP 87 3HZ TRP 87 -3.592 -2.466 -2.310 438 HH2 TRP 87 HH TRP 87 -4.433 -3.627 -4.284 439 H LEU 88 H LEU 88 -4.920 -3.175 2.904 440 HA LEU 88 HA LEU 88 -3.556 -5.148 1.349 441 1HB LEU 88 1HB LEU 88 -2.917 -2.588 2.174 442 2HB LEU 88 2HB LEU 88 -1.841 -3.585 3.129 443 HG LEU 88 HG LEU 88 -1.001 -2.815 0.914 444 1HD1 LEU 88 1HD1 LEU 88 -1.213 -5.831 0.736 445 2HD1 LEU 88 2HD1 LEU 88 0.117 -4.714 0.342 446 3HD1 LEU 88 3HD1 LEU 88 -0.277 -5.058 2.039 447 1HD2 LEU 88 1HD2 LEU 88 -3.002 -4.408 -0.535 448 2HD2 LEU 88 2HD2 LEU 88 -2.771 -2.634 -0.340 449 3HD2 LEU 88 3HD2 LEU 88 -1.550 -3.614 -1.162 450 H ALA 89 H ALA 89 -3.932 -4.566 4.851 451 HA ALA 89 HA ALA 89 -2.509 -6.873 5.768 452 1HB ALA 89 1HB ALA 89 -3.155 -5.134 7.281 453 2HB ALA 89 2HB ALA 89 -4.888 -5.422 6.971 454 3HB ALA 89 3HB ALA 89 -3.906 -6.658 7.788 455 H GLU 90 H GLU 90 -5.779 -6.435 4.464 456 HA GLU 90 HA GLU 90 -6.670 -9.113 4.967 457 1HB GLU 90 1HB GLU 90 -7.985 -6.955 4.566 458 2HB GLU 90 2HB GLU 90 -7.623 -7.173 2.852 459 1HG GLU 90 1HG GLU 90 -8.691 -9.561 3.171 460 2HG GLU 90 2HG GLU 90 -9.419 -8.829 4.610 461 H LYS 91 H LYS 91 -4.583 -7.784 2.529 462 HA LYS 91 HA LYS 91 -5.347 -9.123 0.259 463 1HB LYS 91 1HB LYS 91 -3.717 -7.132 0.876 464 2HB LYS 91 2HB LYS 91 -2.450 -8.314 0.630 465 1HG LYS 91 1HG LYS 91 -4.520 -7.124 -1.267 466 2HG LYS 91 2HG LYS 91 -2.794 -6.786 -1.189 467 1HD LYS 91 1HD LYS 91 -2.938 -8.083 -3.068 468 2HD LYS 91 2HD LYS 91 -2.382 -9.235 -1.848 469 1HE LYS 91 1HE LYS 91 -4.703 -10.066 -1.553 470 2HE LYS 91 2HE LYS 91 -5.308 -8.804 -2.623 471 1HZ LYS 91 1HZ LYS 91 -3.730 -11.160 -3.319 472 2HZ LYS 91 2HZ LYS 91 -5.161 -10.649 -3.964 473 3HZ LYS 91 3HZ LYS 91 -3.766 -9.858 -4.329 474 H LYS 92 H LYS 92 -4.465 -11.069 2.631 475 HA LYS 92 HA LYS 92 -1.627 -11.288 1.866 476 1HB LYS 92 1HB LYS 92 -1.271 -11.241 4.107 477 2HB LYS 92 2HB LYS 92 -2.497 -10.030 3.605 478 1HG LYS 92 1HG LYS 92 -4.244 -11.152 4.741 479 2HG LYS 92 2HG LYS 92 -3.401 -12.701 4.771 480 1HD LYS 92 1HD LYS 92 -1.912 -12.054 6.469 481 2HD LYS 92 2HD LYS 92 -2.331 -10.339 6.331 482 1HE LYS 92 1HE LYS 92 -4.529 -10.664 7.248 483 2HE LYS 92 2HE LYS 92 -4.409 -12.424 7.129 484 1HZ LYS 92 1HZ LYS 92 -2.767 -12.403 8.826 485 2HZ LYS 92 2HZ LYS 92 -2.714 -10.756 8.867 486 3HZ LYS 92 3HZ LYS 92 -4.068 -11.551 9.365 487 HHA HEC 93 HHA HEC 93 8.578 -0.123 0.431 488 HHB HEC 93 HHB HEC 93 2.153 0.020 0.664 489 HHC HEC 93 HHC HEC 93 2.334 4.456 -4.020 490 HHD HEC 93 HHD HEC 93 8.561 3.285 -4.913 491 1HMA HEC 93 1HMA HEC 93 3.359 -0.646 3.046 492 2HMA HEC 93 2HMA HEC 93 3.216 -2.034 1.932 493 3HMA HEC 93 3HMA HEC 93 4.521 -1.979 3.124 494 1HAA HEC 93 1HAA HEC 93 6.741 -1.875 3.063 495 2HAA HEC 93 2HAA HEC 93 7.845 -0.623 2.609 496 1HBA HEC 93 1HBA HEC 93 7.974 -2.083 0.399 497 2HBA HEC 93 2HBA HEC 93 7.312 -3.356 1.413 498 1HMB HEC 93 1HMB HEC 93 0.000 0.942 0.358 499 2HMB HEC 93 2HMB HEC 93 -0.904 1.354 -1.115 500 3HMB HEC 93 3HMB HEC 93 0.122 -0.074 -1.085 501 HAB HEC 93 HAB HEC 93 0.403 4.377 -3.270 502 1HBB HEC 93 1HBB HEC 93 -1.074 3.542 -0.755 503 2HBB HEC 93 2HBB HEC 93 -0.141 5.023 -1.020 504 3HBB HEC 93 3HBB HEC 93 -1.623 4.730 -1.950 505 1HMC HEC 93 1HMC HEC 93 4.350 5.996 -6.810 506 2HMC HEC 93 2HMC HEC 93 3.092 4.805 -6.470 507 3HMC HEC 93 3HMC HEC 93 3.298 6.207 -5.404 508 HAC HEC 93 HAC HEC 93 7.922 4.433 -6.540 509 1HBC HEC 93 1HBC HEC 93 7.376 6.671 -7.674 510 2HBC HEC 93 2HBC HEC 93 6.289 6.945 -6.295 511 3HBC HEC 93 3HBC HEC 93 8.020 6.638 -6.036 512 1HMD HEC 93 1HMD HEC 93 11.185 0.793 -4.040 513 2HMD HEC 93 2HMD HEC 93 10.165 1.813 -5.035 514 3HMD HEC 93 3HMD HEC 93 11.274 2.561 -3.858 515 1HAD HEC 93 1HAD HEC 93 10.839 -0.701 -1.321 516 2HAD HEC 93 2HAD HEC 93 10.534 0.265 -0.024 517 1HBD HEC 93 1HBD HEC 93 12.599 0.947 -0.131 518 2HBD HEC 93 2HBD HEC 93 11.761 2.209 -1.000 Start of MODEL 5 1 1H VAL 22 1H VAL 22 -12.998 3.782 1.491 2 2H VAL 22 2H VAL 22 -11.583 4.565 1.914 3 3H VAL 22 3H VAL 22 -13.034 5.413 1.880 4 HA VAL 22 HA VAL 22 -13.290 5.046 -0.386 5 HB VAL 22 HB VAL 22 -10.371 5.771 0.116 6 1HG1 VAL 22 1HG1 VAL 22 -10.769 5.269 -2.250 7 2HG1 VAL 22 2HG1 VAL 22 -12.207 6.311 -2.258 8 3HG1 VAL 22 3HG1 VAL 22 -10.589 7.011 -2.037 9 1HG2 VAL 22 1HG2 VAL 22 -11.796 7.266 1.412 10 2HG2 VAL 22 2HG2 VAL 22 -11.246 8.135 -0.025 11 3HG2 VAL 22 3HG2 VAL 22 -12.897 7.482 0.030 12 H ASP 23 H ASP 23 -13.163 3.591 -1.797 13 HA ASP 23 HA ASP 23 -12.616 1.056 -1.342 14 1HB ASP 23 1HB ASP 23 -12.751 2.325 -4.111 15 2HB ASP 23 2HB ASP 23 -13.087 0.631 -3.726 16 H ALA 24 H ALA 24 -10.676 0.593 -0.604 17 HA ALA 24 HA ALA 24 -8.272 1.630 -1.180 18 1HB ALA 24 1HB ALA 24 -8.578 0.397 0.771 19 2HB ALA 24 2HB ALA 24 -9.029 -1.066 -0.127 20 3HB ALA 24 3HB ALA 24 -7.342 -0.482 -0.164 21 H GLU 25 H GLU 25 -9.541 -1.379 -2.700 22 HA GLU 25 HA GLU 25 -7.136 -1.881 -4.114 23 1HB GLU 25 1HB GLU 25 -8.167 -3.622 -5.019 24 2HB GLU 25 2HB GLU 25 -9.467 -3.274 -3.876 25 1HG GLU 25 1HG GLU 25 -10.631 -1.980 -5.594 26 2HG GLU 25 2HG GLU 25 -9.342 -2.386 -6.783 27 H ALA 26 H ALA 26 -9.935 0.228 -4.895 28 HA ALA 26 HA ALA 26 -9.079 0.861 -7.538 29 1HB ALA 26 1HB ALA 26 -11.382 1.293 -6.357 30 2HB ALA 26 2HB ALA 26 -10.632 2.802 -5.794 31 3HB ALA 26 3HB ALA 26 -10.776 2.478 -7.528 32 H VAL 27 H VAL 27 -8.458 2.384 -4.370 33 HA VAL 27 HA VAL 27 -6.605 4.486 -5.260 34 HB VAL 27 HB VAL 27 -6.453 2.867 -2.679 35 1HG1 VAL 27 1HG1 VAL 27 -5.532 5.690 -3.331 36 2HG1 VAL 27 2HG1 VAL 27 -5.311 4.807 -1.807 37 3HG1 VAL 27 3HG1 VAL 27 -4.466 4.267 -3.252 38 1HG2 VAL 27 1HG2 VAL 27 -8.073 5.377 -3.278 39 2HG2 VAL 27 2HG2 VAL 27 -8.712 3.798 -2.781 40 3HG2 VAL 27 3HG2 VAL 27 -7.741 4.741 -1.653 41 H VAL 28 H VAL 28 -5.759 1.032 -4.164 42 HA VAL 28 HA VAL 28 -3.113 1.791 -4.759 43 HB VAL 28 HB VAL 28 -4.537 -0.811 -4.314 44 1HG1 VAL 28 1HG1 VAL 28 -1.626 -0.719 -3.660 45 2HG1 VAL 28 2HG1 VAL 28 -2.602 -2.051 -4.197 46 3HG1 VAL 28 3HG1 VAL 28 -2.084 -0.881 -5.382 47 1HG2 VAL 28 1HG2 VAL 28 -2.947 -0.011 -2.040 48 2HG2 VAL 28 2HG2 VAL 28 -3.712 1.454 -2.617 49 3HG2 VAL 28 3HG2 VAL 28 -4.707 0.073 -2.212 50 H GLN 29 H GLN 29 -5.469 0.023 -6.612 51 HA GLN 29 HA GLN 29 -4.009 -0.543 -8.973 52 1HB GLN 29 1HB GLN 29 -6.979 -0.131 -8.432 53 2HB GLN 29 2HB GLN 29 -6.382 -0.718 -9.934 54 1HG GLN 29 1HG GLN 29 -6.942 -2.228 -7.558 55 2HG GLN 29 2HG GLN 29 -6.614 -2.772 -9.180 56 1HE2 GLN 29 1HE2 GLN 29 -4.531 -3.566 -9.711 57 2HE2 GLN 29 2HE2 GLN 29 -3.294 -3.852 -8.510 58 H GLN 30 H GLN 30 -4.739 2.559 -7.797 59 HA GLN 30 HA GLN 30 -3.796 3.571 -10.411 60 1HB GLN 30 1HB GLN 30 -6.423 4.014 -9.367 61 2HB GLN 30 2HB GLN 30 -5.550 5.517 -9.109 62 1HG GLN 30 1HG GLN 30 -4.821 5.477 -11.522 63 2HG GLN 30 2HG GLN 30 -5.712 3.960 -11.742 64 1HE2 GLN 30 1HE2 GLN 30 -6.275 7.313 -10.500 65 2HE2 GLN 30 2HE2 GLN 30 -7.861 7.460 -11.247 66 H LYS 31 H LYS 31 -2.993 3.299 -7.233 67 HA LYS 31 HA LYS 31 -1.459 5.882 -7.229 68 1HB LYS 31 1HB LYS 31 -3.303 4.706 -5.223 69 2HB LYS 31 2HB LYS 31 -1.795 5.022 -4.560 70 1HG LYS 31 1HG LYS 31 -2.923 6.933 -4.149 71 2HG LYS 31 2HG LYS 31 -1.989 7.421 -5.570 72 1HD LYS 31 1HD LYS 31 -3.977 7.127 -7.012 73 2HD LYS 31 2HD LYS 31 -4.820 6.278 -5.718 74 1HE LYS 31 1HE LYS 31 -5.809 8.358 -5.517 75 2HE LYS 31 2HE LYS 31 -4.535 8.426 -4.291 76 1HZ LYS 31 1HZ LYS 31 -3.185 9.653 -5.792 77 2HZ LYS 31 2HZ LYS 31 -4.341 9.590 -6.975 78 3HZ LYS 31 3HZ LYS 31 -4.635 10.395 -5.565 79 H CYS 32 H CYS 32 -1.497 2.494 -5.979 80 HA CYS 32 HA CYS 32 1.336 2.820 -5.224 81 1HB CYS 32 1HB CYS 32 -0.325 0.381 -4.875 82 2HB CYS 32 2HB CYS 32 1.037 0.877 -3.900 83 H ILE 33 H ILE 33 -0.729 0.827 -7.348 84 HA ILE 33 HA ILE 33 1.256 -0.871 -8.351 85 HB ILE 33 HB ILE 33 -0.062 -1.128 -10.321 86 1HG1 ILE 33 1HG1 ILE 33 -2.061 0.968 -9.468 87 2HG1 ILE 33 2HG1 ILE 33 -0.738 1.370 -10.548 88 1HG2 ILE 33 1HG2 ILE 33 -2.134 -1.932 -9.280 89 2HG2 ILE 33 2HG2 ILE 33 -0.733 -2.289 -8.269 90 3HG2 ILE 33 3HG2 ILE 33 -1.818 -0.978 -7.833 91 1HD1 ILE 33 1HD1 ILE 33 -1.383 -0.406 -12.117 92 2HD1 ILE 33 2HD1 ILE 33 -2.821 -0.749 -11.127 93 3HD1 ILE 33 3HD1 ILE 33 -2.619 0.837 -11.900 94 H SER 34 H SER 34 0.735 2.510 -8.938 95 HA SER 34 HA SER 34 2.036 3.039 -11.300 96 1HB SER 34 1HB SER 34 0.872 4.681 -9.734 97 2HB SER 34 2HB SER 34 2.363 4.704 -8.774 98 HG SER 34 HG SER 34 3.392 5.231 -10.897 99 H CYS 35 H CYS 35 3.529 1.994 -8.240 100 HA CYS 35 HA CYS 35 6.113 1.848 -9.734 101 1HB CYS 35 1HB CYS 35 6.100 2.229 -6.732 102 2HB CYS 35 2HB CYS 35 7.411 2.376 -7.874 103 H HIS 36 H HIS 36 4.005 0.405 -7.188 104 HA HIS 36 HA HIS 36 5.677 -1.919 -6.922 105 1HB HIS 36 1HB HIS 36 2.845 -1.296 -6.054 106 2HB HIS 36 2HB HIS 36 3.689 -2.803 -5.674 107 HD1 HIS 36 1HD HIS 36 5.862 -2.651 -4.042 108 HD2 HIS 36 2HD HIS 36 3.603 0.892 -4.580 109 HE1 HIS 36 1HE HIS 36 6.539 -1.037 -2.199 110 H GLY 37 H GLY 37 3.391 -1.113 -9.403 111 1HA GLY 37 1HA GLY 37 3.064 -2.306 -11.344 112 2HA GLY 37 2HA GLY 37 3.735 -3.779 -10.626 113 H GLY 38 H GLY 38 1.228 -3.477 -12.111 114 1HA GLY 38 1HA GLY 38 -1.158 -3.087 -10.996 115 2HA GLY 38 2HA GLY 38 -0.851 -4.458 -12.051 116 H ASP 39 H ASP 39 0.263 -6.377 -10.854 117 HA ASP 39 HA ASP 39 -1.582 -7.389 -8.978 118 1HB ASP 39 1HB ASP 39 1.155 -8.397 -9.854 119 2HB ASP 39 2HB ASP 39 -0.100 -9.367 -9.057 120 H LEU 40 H LEU 40 1.127 -5.406 -8.438 121 HA LEU 40 HA LEU 40 2.228 -4.614 -6.679 122 1HB LEU 40 1HB LEU 40 0.310 -6.189 -4.934 123 2HB LEU 40 2HB LEU 40 1.399 -4.918 -4.419 124 HG LEU 40 HG LEU 40 -0.214 -4.074 -6.762 125 1HD1 LEU 40 1HD1 LEU 40 -2.342 -3.871 -5.673 126 2HD1 LEU 40 2HD1 LEU 40 -1.886 -5.574 -5.778 127 3HD1 LEU 40 3HD1 LEU 40 -1.739 -4.715 -4.224 128 1HD2 LEU 40 1HD2 LEU 40 1.225 -2.718 -5.068 129 2HD2 LEU 40 2HD2 LEU 40 -0.277 -2.065 -5.713 130 3HD2 LEU 40 3HD2 LEU 40 -0.258 -2.777 -4.083 131 H THR 41 H THR 41 2.884 -7.110 -8.093 132 HA THR 41 HA THR 41 4.385 -8.824 -6.354 133 HB THR 41 HB THR 41 5.181 -9.535 -8.742 134 HG1 THR 41 1HG THR 41 4.691 -7.710 -9.906 135 1HG2 THR 41 1HG2 THR 41 3.415 -10.758 -7.570 136 2HG2 THR 41 2HG2 THR 41 2.214 -9.531 -8.011 137 3HG2 THR 41 3HG2 THR 41 2.955 -10.536 -9.271 138 H GLY 42 H GLY 42 4.992 -5.612 -7.577 139 1HA GLY 42 1HA GLY 42 6.730 -4.423 -6.683 140 2HA GLY 42 2HA GLY 42 7.719 -5.875 -6.474 141 H ALA 43 H ALA 43 6.470 -3.592 -8.883 142 HA ALA 43 HA ALA 43 8.362 -4.498 -10.947 143 1HB ALA 43 1HB ALA 43 6.199 -3.768 -11.662 144 2HB ALA 43 2HB ALA 43 6.378 -2.194 -10.874 145 3HB ALA 43 3HB ALA 43 7.409 -2.615 -12.259 146 H SER 44 H SER 44 7.874 -1.158 -9.783 147 HA SER 44 HA SER 44 10.792 -0.626 -9.970 148 1HB SER 44 1HB SER 44 9.181 0.846 -11.198 149 2HB SER 44 2HB SER 44 8.457 1.291 -9.641 150 HG SER 44 HG SER 44 10.666 1.922 -9.036 151 H ALA 45 H ALA 45 8.870 -1.862 -7.659 152 HA ALA 45 HA ALA 45 10.229 -0.667 -5.348 153 1HB ALA 45 1HB ALA 45 7.202 -0.761 -5.758 154 2HB ALA 45 2HB ALA 45 8.026 -0.271 -4.269 155 3HB ALA 45 3HB ALA 45 8.170 0.713 -5.732 156 HA PRO 46 HA PRO 46 10.030 -4.997 -4.427 157 1HB PRO 46 1HB PRO 46 9.518 -5.210 -1.720 158 2HB PRO 46 2HB PRO 46 11.073 -4.641 -2.394 159 1HG PRO 46 1HG PRO 46 8.730 -2.957 -1.483 160 2HG PRO 46 2HG PRO 46 10.443 -2.797 -0.986 161 1HD PRO 46 1HD PRO 46 9.416 -1.250 -2.945 162 2HD PRO 46 2HD PRO 46 11.041 -1.952 -3.173 163 H ALA 47 H ALA 47 8.627 -6.780 -3.680 164 HA ALA 47 HA ALA 47 5.946 -6.494 -4.616 165 1HB ALA 47 1HB ALA 47 7.153 -8.735 -2.926 166 2HB ALA 47 2HB ALA 47 5.699 -8.823 -3.941 167 3HB ALA 47 3HB ALA 47 7.301 -8.627 -4.685 168 H ILE 48 H ILE 48 4.254 -5.658 -3.515 169 HA ILE 48 HA ILE 48 4.251 -5.956 -0.550 170 HB ILE 48 HB ILE 48 3.234 -3.850 -0.148 171 1HG1 ILE 48 1HG1 ILE 48 3.429 -2.042 -1.915 172 2HG1 ILE 48 2HG1 ILE 48 3.434 -3.338 -3.110 173 1HG2 ILE 48 1HG2 ILE 48 5.687 -4.128 -0.104 174 2HG2 ILE 48 2HG2 ILE 48 5.762 -3.558 -1.785 175 3HG2 ILE 48 3HG2 ILE 48 5.189 -2.478 -0.507 176 1HD1 ILE 48 1HD1 ILE 48 1.143 -3.968 -2.324 177 2HD1 ILE 48 2HD1 ILE 48 1.300 -2.869 -0.936 178 3HD1 ILE 48 3HD1 ILE 48 1.205 -2.202 -2.563 179 H ASP 49 H ASP 49 2.838 -7.100 -3.301 180 HA ASP 49 HA ASP 49 0.164 -7.368 -2.598 181 1HB ASP 49 1HB ASP 49 0.117 -9.199 -3.986 182 2HB ASP 49 2HB ASP 49 1.597 -8.466 -4.575 183 H LYS 50 H LYS 50 2.977 -8.931 -1.186 184 HA LYS 50 HA LYS 50 1.385 -10.525 0.731 185 1HB LYS 50 1HB LYS 50 4.325 -10.437 -0.031 186 2HB LYS 50 2HB LYS 50 3.743 -11.413 1.326 187 1HG LYS 50 1HG LYS 50 2.527 -11.659 -1.402 188 2HG LYS 50 2HG LYS 50 3.990 -12.534 -1.021 189 1HD LYS 50 1HD LYS 50 2.913 -13.842 0.648 190 2HD LYS 50 2HD LYS 50 1.497 -12.791 0.741 191 1HE LYS 50 1HE LYS 50 2.251 -14.368 -1.766 192 2HE LYS 50 2HE LYS 50 1.124 -14.939 -0.519 193 1HZ LYS 50 1HZ LYS 50 -0.074 -13.915 -2.286 194 2HZ LYS 50 2HZ LYS 50 -0.252 -13.053 -0.914 195 3HZ LYS 50 3HZ LYS 50 0.719 -12.484 -2.143 196 H ALA 51 H ALA 51 2.237 -7.349 0.725 197 HA ALA 51 HA ALA 51 3.774 -7.043 3.075 198 1HB ALA 51 1HB ALA 51 2.975 -4.753 3.109 199 2HB ALA 51 2HB ALA 51 3.376 -5.284 1.459 200 3HB ALA 51 3HB ALA 51 1.676 -5.149 1.979 201 H GLY 52 H GLY 52 0.186 -7.540 2.675 202 1HA GLY 52 1HA GLY 52 -0.433 -7.138 5.408 203 2HA GLY 52 2HA GLY 52 -1.292 -8.180 4.255 204 H ALA 53 H ALA 53 1.097 -9.938 3.780 205 HA ALA 53 HA ALA 53 0.831 -11.673 6.155 206 1HB ALA 53 1HB ALA 53 2.468 -11.992 3.608 207 2HB ALA 53 2HB ALA 53 2.365 -13.167 4.925 208 3HB ALA 53 3HB ALA 53 0.921 -12.777 3.994 209 H ASN 54 H ASN 54 3.366 -9.740 4.578 210 HA ASN 54 HA ASN 54 5.429 -10.584 6.411 211 1HB ASN 54 1HB ASN 54 5.323 -8.210 4.506 212 2HB ASN 54 2HB ASN 54 6.776 -8.808 5.316 213 1HD2 ASN 54 1HD2 ASN 54 6.238 -8.598 2.389 214 2HD2 ASN 54 2HD2 ASN 54 6.436 -10.236 1.793 215 H TYR 55 H TYR 55 3.298 -7.788 6.256 216 HA TYR 55 HA TYR 55 4.319 -6.632 8.817 217 1HB TYR 55 1HB TYR 55 3.416 -5.087 6.369 218 2HB TYR 55 2HB TYR 55 4.057 -4.432 7.875 219 HD1 TYR 55 1HD TYR 55 4.967 -4.077 4.857 220 HD2 TYR 55 2HD TYR 55 6.475 -6.259 8.263 221 HE1 TYR 55 1HE TYR 55 7.248 -4.013 3.907 222 HE2 TYR 55 2HE TYR 55 8.730 -6.247 7.268 223 HH TYR 55 HH TYR 55 9.464 -4.632 4.162 224 H SER 56 H SER 56 2.433 -4.801 9.314 225 HA SER 56 HA SER 56 -0.208 -6.155 8.952 226 1HB SER 56 1HB SER 56 0.934 -5.027 11.539 227 2HB SER 56 2HB SER 56 -0.753 -5.506 11.299 228 HG SER 56 HG SER 56 1.136 -7.366 10.487 229 H GLU 57 H GLU 57 -2.004 -4.603 9.586 230 HA GLU 57 HA GLU 57 -2.001 -2.736 7.537 231 1HB GLU 57 1HB GLU 57 -4.210 -2.159 8.265 232 2HB GLU 57 2HB GLU 57 -3.979 -3.872 8.437 233 1HG GLU 57 1HG GLU 57 -4.944 -3.539 10.443 234 2HG GLU 57 2HG GLU 57 -3.334 -3.074 10.996 235 H GLU 58 H GLU 58 -1.443 -2.156 11.042 236 HA GLU 58 HA GLU 58 -1.178 0.582 11.058 237 1HB GLU 58 1HB GLU 58 0.389 0.162 12.986 238 2HB GLU 58 2HB GLU 58 -1.170 -0.656 13.047 239 1HG GLU 58 1HG GLU 58 0.679 -2.507 11.803 240 2HG GLU 58 2HG GLU 58 1.455 -1.826 13.230 241 H GLU 59 H GLU 59 1.509 -1.703 10.399 242 HA GLU 59 HA GLU 59 3.572 0.162 9.976 243 1HB GLU 59 1HB GLU 59 3.065 -2.611 8.803 244 2HB GLU 59 2HB GLU 59 4.627 -1.799 8.743 245 1HG GLU 59 1HG GLU 59 3.211 -2.514 11.360 246 2HG GLU 59 2HG GLU 59 4.442 -3.499 10.563 247 H ILE 60 H ILE 60 1.269 -1.375 7.757 248 HA ILE 60 HA ILE 60 2.395 -0.314 5.327 249 HB ILE 60 HB ILE 60 -0.334 -1.427 6.002 250 1HG1 ILE 60 1HG1 ILE 60 1.842 -2.714 4.316 251 2HG1 ILE 60 2HG1 ILE 60 1.825 -2.894 6.071 252 1HG2 ILE 60 1HG2 ILE 60 -0.681 -0.016 4.090 253 2HG2 ILE 60 2HG2 ILE 60 0.788 -0.620 3.293 254 3HG2 ILE 60 3HG2 ILE 60 -0.626 -1.671 3.495 255 1HD1 ILE 60 1HD1 ILE 60 0.744 -4.801 5.076 256 2HD1 ILE 60 2HD1 ILE 60 -0.441 -3.864 5.996 257 3HD1 ILE 60 3HD1 ILE 60 -0.421 -3.777 4.224 258 H LEU 61 H LEU 61 -0.396 0.664 7.356 259 HA LEU 61 HA LEU 61 -1.273 2.898 5.956 260 1HB LEU 61 1HB LEU 61 -2.350 1.918 7.961 261 2HB LEU 61 2HB LEU 61 -1.062 2.484 8.987 262 HG LEU 61 HG LEU 61 -1.620 4.808 8.630 263 1HD1 LEU 61 1HD1 LEU 61 -2.297 4.919 6.352 264 2HD1 LEU 61 2HD1 LEU 61 -3.584 3.721 6.609 265 3HD1 LEU 61 3HD1 LEU 61 -3.730 5.359 7.290 266 1HD2 LEU 61 1HD2 LEU 61 -3.878 4.832 9.629 267 2HD2 LEU 61 2HD2 LEU 61 -4.111 3.133 9.167 268 3HD2 LEU 61 3HD2 LEU 61 -2.868 3.570 10.359 269 H ASP 62 H ASP 62 1.154 2.713 8.608 270 HA ASP 62 HA ASP 62 1.661 5.522 8.527 271 1HB ASP 62 1HB ASP 62 2.232 3.950 10.436 272 2HB ASP 62 2HB ASP 62 3.647 3.442 9.499 273 H ILE 63 H ILE 63 3.144 2.755 6.852 274 HA ILE 63 HA ILE 63 5.277 4.284 5.646 275 HB ILE 63 HB ILE 63 4.036 1.570 5.219 276 1HG1 ILE 63 1HG1 ILE 63 6.894 2.553 5.668 277 2HG1 ILE 63 2HG1 ILE 63 5.773 2.056 6.942 278 1HG2 ILE 63 1HG2 ILE 63 5.890 2.876 3.202 279 2HG2 ILE 63 2HG2 ILE 63 5.600 1.137 3.353 280 3HG2 ILE 63 3HG2 ILE 63 4.260 2.186 2.937 281 1HD1 ILE 63 1HD1 ILE 63 5.651 -0.226 5.831 282 2HD1 ILE 63 2HD1 ILE 63 7.013 0.293 4.803 283 3HD1 ILE 63 3HD1 ILE 63 7.211 0.212 6.553 284 H ILE 64 H ILE 64 1.913 3.619 4.551 285 HA ILE 64 HA ILE 64 2.239 4.838 1.972 286 HB ILE 64 HB ILE 64 -0.171 4.606 3.810 287 1HG1 ILE 64 1HG1 ILE 64 0.520 3.130 1.243 288 2HG1 ILE 64 2HG1 ILE 64 0.956 2.512 2.832 289 1HG2 ILE 64 1HG2 ILE 64 -1.517 5.127 1.745 290 2HG2 ILE 64 2HG2 ILE 64 -0.589 6.494 2.335 291 3HG2 ILE 64 3HG2 ILE 64 -0.006 5.584 0.930 292 1HD1 ILE 64 1HD1 ILE 64 -1.510 2.696 3.491 293 2HD1 ILE 64 2HD1 ILE 64 -1.835 2.960 1.759 294 3HD1 ILE 64 3HD1 ILE 64 -1.092 1.451 2.311 295 H LEU 65 H LEU 65 1.215 6.174 5.115 296 HA LEU 65 HA LEU 65 0.889 8.851 4.180 297 1HB LEU 65 1HB LEU 65 1.467 7.709 6.924 298 2HB LEU 65 2HB LEU 65 1.006 9.388 6.633 299 HG LEU 65 HG LEU 65 -0.837 7.117 5.686 300 1HD1 LEU 65 1HD1 LEU 65 -2.008 7.321 7.835 301 2HD1 LEU 65 2HD1 LEU 65 -0.354 6.736 8.080 302 3HD1 LEU 65 3HD1 LEU 65 -0.752 8.425 8.442 303 1HD2 LEU 65 1HD2 LEU 65 -1.309 10.007 6.542 304 2HD2 LEU 65 2HD2 LEU 65 -1.264 9.412 4.867 305 3HD2 LEU 65 3HD2 LEU 65 -2.530 8.852 5.979 306 H ASN 66 H ASN 66 3.697 7.159 5.564 307 HA ASN 66 HA ASN 66 5.286 9.629 5.763 308 1HB ASN 66 1HB ASN 66 5.735 6.739 6.606 309 2HB ASN 66 2HB ASN 66 7.008 7.922 6.656 310 1HD2 ASN 66 1HD2 ASN 66 3.767 7.243 7.870 311 2HD2 ASN 66 2HD2 ASN 66 3.981 7.925 9.435 312 H GLY 67 H GLY 67 5.583 6.471 4.081 313 1HA GLY 67 1HA GLY 67 6.597 6.472 1.813 314 2HA GLY 67 2HA GLY 67 7.882 7.496 2.475 315 H GLN 68 H GLN 68 9.201 5.691 1.712 316 HA GLN 68 HA GLN 68 10.214 4.076 3.792 317 1HB GLN 68 1HB GLN 68 8.465 2.267 3.116 318 2HB GLN 68 2HB GLN 68 8.822 2.667 1.454 319 1HG GLN 68 1HG GLN 68 9.801 0.603 2.125 320 2HG GLN 68 2HG GLN 68 11.092 1.716 1.693 321 1HE2 GLN 68 1HE2 GLN 68 10.851 -0.808 3.372 322 2HE2 GLN 68 2HE2 GLN 68 11.719 -0.346 4.838 323 H GLY 69 H GLY 69 12.467 4.037 3.161 324 1HA GLY 69 1HA GLY 69 14.295 4.604 1.836 325 2HA GLY 69 2HA GLY 69 13.588 3.379 0.781 326 H GLY 70 H GLY 70 13.128 4.056 -1.340 327 1HA GLY 70 1HA GLY 70 13.426 6.879 -2.040 328 2HA GLY 70 2HA GLY 70 13.204 5.489 -3.103 329 H MET 71 H MET 71 10.718 4.999 -1.088 330 HA MET 71 HA MET 71 8.723 5.872 -2.922 331 1HB MET 71 1HB MET 71 8.605 3.930 -1.351 332 2HB MET 71 2HB MET 71 8.494 5.034 -0.018 333 1HG MET 71 1HG MET 71 6.417 5.863 -0.582 334 2HG MET 71 2HG MET 71 6.366 5.057 -2.141 335 1HE MET 71 1HE MET 71 3.846 3.505 0.791 336 2HE MET 71 2HE MET 71 4.633 5.091 0.959 337 3HE MET 71 3HE MET 71 3.861 4.637 -0.577 338 HA PRO 72 HA PRO 72 8.836 10.083 -1.436 339 1HB PRO 72 1HB PRO 72 6.568 11.141 -2.618 340 2HB PRO 72 2HB PRO 72 8.086 10.776 -3.486 341 1HG PRO 72 1HG PRO 72 5.612 9.056 -3.282 342 2HG PRO 72 2HG PRO 72 6.550 9.454 -4.749 343 1HD PRO 72 1HD PRO 72 6.939 7.110 -3.468 344 2HD PRO 72 2HD PRO 72 8.350 8.029 -4.092 345 H GLY 73 H GLY 73 5.835 8.247 -1.005 346 1HA GLY 73 1HA GLY 73 4.639 7.976 0.984 347 2HA GLY 73 2HA GLY 73 5.578 9.269 1.741 348 H GLY 74 H GLY 74 2.848 9.099 2.036 349 1HA GLY 74 1HA GLY 74 1.042 10.517 2.116 350 2HA GLY 74 2HA GLY 74 2.044 11.783 1.386 351 H ILE 75 H ILE 75 1.796 8.785 -0.319 352 HA ILE 75 HA ILE 75 0.666 9.916 -2.687 353 HB ILE 75 HB ILE 75 1.080 7.077 -1.690 354 1HG1 ILE 75 1HG1 ILE 75 2.694 7.930 -3.964 355 2HG1 ILE 75 2HG1 ILE 75 2.887 9.082 -2.648 356 1HG2 ILE 75 1HG2 ILE 75 0.893 6.361 -4.078 357 2HG2 ILE 75 2HG2 ILE 75 -0.629 6.901 -3.378 358 3HG2 ILE 75 3HG2 ILE 75 0.270 7.975 -4.478 359 1HD1 ILE 75 1HD1 ILE 75 4.525 7.173 -2.523 360 2HD1 ILE 75 2HD1 ILE 75 3.492 7.306 -1.080 361 3HD1 ILE 75 3HD1 ILE 75 3.156 6.076 -2.306 362 H ALA 76 H ALA 76 -0.738 8.440 0.188 363 HA ALA 76 HA ALA 76 -3.375 9.195 -0.721 364 1HB ALA 76 1HB ALA 76 -2.583 6.342 0.046 365 2HB ALA 76 2HB ALA 76 -4.244 6.919 0.174 366 3HB ALA 76 3HB ALA 76 -3.445 6.872 -1.414 367 H LYS 77 H LYS 77 -4.738 9.592 1.215 368 HA LYS 77 HA LYS 77 -3.450 9.083 3.823 369 1HB LYS 77 1HB LYS 77 -4.042 11.599 4.339 370 2HB LYS 77 2HB LYS 77 -2.459 11.127 3.707 371 1HG LYS 77 1HG LYS 77 -2.968 11.874 1.516 372 2HG LYS 77 2HG LYS 77 -4.706 12.020 1.877 373 1HD LYS 77 1HD LYS 77 -4.296 13.826 3.442 374 2HD LYS 77 2HD LYS 77 -2.535 13.649 3.287 375 1HE LYS 77 1HE LYS 77 -2.492 14.493 1.079 376 2HE LYS 77 2HE LYS 77 -4.218 14.197 0.817 377 1HZ LYS 77 1HZ LYS 77 -3.742 16.519 1.130 378 2HZ LYS 77 2HZ LYS 77 -4.733 15.960 2.314 379 3HZ LYS 77 3HZ LYS 77 -3.143 16.246 2.637 380 H GLY 78 H GLY 78 -4.763 9.573 5.700 381 1HA GLY 78 1HA GLY 78 -6.676 9.320 6.888 382 2HA GLY 78 2HA GLY 78 -7.484 10.261 5.626 383 H ALA 79 H ALA 79 -9.365 9.070 5.422 384 HA ALA 79 HA ALA 79 -9.814 6.351 5.428 385 1HB ALA 79 1HB ALA 79 -11.259 8.459 3.788 386 2HB ALA 79 2HB ALA 79 -11.904 6.874 4.266 387 3HB ALA 79 3HB ALA 79 -11.546 8.089 5.506 388 H GLU 80 H GLU 80 -7.933 7.889 3.080 389 HA GLU 80 HA GLU 80 -8.337 5.987 0.897 390 1HB GLU 80 1HB GLU 80 -7.643 8.573 0.960 391 2HB GLU 80 2HB GLU 80 -6.048 7.901 1.271 392 1HG GLU 80 1HG GLU 80 -6.213 6.721 -0.937 393 2HG GLU 80 2HG GLU 80 -7.778 7.511 -1.189 394 H ALA 81 H ALA 81 -5.588 6.903 3.129 395 HA ALA 81 HA ALA 81 -4.089 4.562 2.433 396 1HB ALA 81 1HB ALA 81 -3.777 6.510 4.756 397 2HB ALA 81 2HB ALA 81 -2.559 5.360 4.149 398 3HB ALA 81 3HB ALA 81 -3.083 6.705 3.132 399 H GLU 82 H GLU 82 -6.251 5.460 5.120 400 HA GLU 82 HA GLU 82 -5.799 3.274 6.892 401 1HB GLU 82 1HB GLU 82 -8.278 4.906 6.234 402 2HB GLU 82 2HB GLU 82 -8.178 3.782 7.585 403 1HG GLU 82 1HG GLU 82 -6.554 5.095 8.723 404 2HG GLU 82 2HG GLU 82 -6.213 6.088 7.302 405 H ALA 83 H ALA 83 -8.074 3.689 4.152 406 HA ALA 83 HA ALA 83 -9.228 1.083 4.371 407 1HB ALA 83 1HB ALA 83 -10.061 1.449 2.138 408 2HB ALA 83 2HB ALA 83 -10.273 2.914 3.106 409 3HB ALA 83 3HB ALA 83 -8.964 2.833 1.898 410 H VAL 84 H VAL 84 -6.422 2.356 2.430 411 HA VAL 84 HA VAL 84 -5.769 -0.137 1.252 412 HB VAL 84 HB VAL 84 -3.729 1.882 2.208 413 1HG1 VAL 84 1HG1 VAL 84 -3.669 -0.522 0.331 414 2HG1 VAL 84 2HG1 VAL 84 -2.425 0.698 0.339 415 3HG1 VAL 84 3HG1 VAL 84 -2.673 -0.266 1.783 416 1HG2 VAL 84 1HG2 VAL 84 -3.596 2.532 -0.193 417 2HG2 VAL 84 2HG2 VAL 84 -5.078 1.591 -0.502 418 3HG2 VAL 84 3HG2 VAL 84 -5.126 3.010 0.561 419 H ALA 85 H ALA 85 -4.755 1.139 4.471 420 HA ALA 85 HA ALA 85 -3.051 -0.915 5.200 421 1HB ALA 85 1HB ALA 85 -3.475 -0.203 7.467 422 2HB ALA 85 2HB ALA 85 -3.759 1.224 6.458 423 3HB ALA 85 3HB ALA 85 -5.119 0.301 7.115 424 H ALA 86 H ALA 86 -6.584 -0.840 5.831 425 HA ALA 86 HA ALA 86 -6.776 -3.500 6.818 426 1HB ALA 86 1HB ALA 86 -8.506 -1.811 7.180 427 2HB ALA 86 2HB ALA 86 -8.881 -1.776 5.442 428 3HB ALA 86 3HB ALA 86 -9.197 -3.246 6.392 429 H TRP 87 H TRP 87 -7.511 -2.251 3.521 430 HA TRP 87 HA TRP 87 -8.338 -4.709 2.383 431 1HB TRP 87 1HB TRP 87 -8.832 -2.605 1.388 432 2HB TRP 87 2HB TRP 87 -7.099 -2.196 1.285 433 HD1 TRP 87 HD TRP 87 -9.719 -4.253 -0.639 434 HE1 TRP 87 1HE TRP 87 -8.642 -5.182 -2.764 435 HE3 TRP 87 3HE TRP 87 -5.083 -2.155 -0.182 436 HZ2 TRP 87 2HZ TRP 87 -5.138 -5.027 -2.966 437 HZ3 TRP 87 3HZ TRP 87 -3.720 -2.000 -2.257 438 HH2 TRP 87 HH TRP 87 -4.391 -3.215 -4.303 439 H LEU 88 H LEU 88 -5.152 -3.138 2.320 440 HA LEU 88 HA LEU 88 -3.862 -5.106 0.767 441 1HB LEU 88 1HB LEU 88 -3.209 -2.624 1.376 442 2HB LEU 88 2HB LEU 88 -2.325 -3.384 2.689 443 HG LEU 88 HG LEU 88 -1.114 -2.835 0.678 444 1HD1 LEU 88 1HD1 LEU 88 -1.160 -5.866 0.784 445 2HD1 LEU 88 2HD1 LEU 88 0.184 -4.725 0.537 446 3HD1 LEU 88 3HD1 LEU 88 -0.559 -4.880 2.150 447 1HD2 LEU 88 1HD2 LEU 88 -2.364 -2.826 -1.018 448 2HD2 LEU 88 2HD2 LEU 88 -1.160 -4.038 -1.401 449 3HD2 LEU 88 3HD2 LEU 88 -2.813 -4.560 -1.007 450 H ALA 89 H ALA 89 -4.123 -4.570 4.300 451 HA ALA 89 HA ALA 89 -2.642 -6.815 5.186 452 1HB ALA 89 1HB ALA 89 -3.986 -6.728 7.214 453 2HB ALA 89 2HB ALA 89 -3.339 -5.155 6.720 454 3HB ALA 89 3HB ALA 89 -5.060 -5.534 6.462 455 H GLU 90 H GLU 90 -6.027 -6.524 4.097 456 HA GLU 90 HA GLU 90 -6.660 -9.295 4.524 457 1HB GLU 90 1HB GLU 90 -8.209 -7.490 4.713 458 2HB GLU 90 2HB GLU 90 -8.025 -7.022 3.038 459 1HG GLU 90 1HG GLU 90 -8.986 -9.825 3.698 460 2HG GLU 90 2HG GLU 90 -10.089 -8.449 3.822 461 H LYS 91 H LYS 91 -4.747 -7.828 2.047 462 HA LYS 91 HA LYS 91 -5.764 -9.339 -0.188 463 1HB LYS 91 1HB LYS 91 -4.364 -7.047 0.209 464 2HB LYS 91 2HB LYS 91 -3.028 -8.073 -0.274 465 1HG LYS 91 1HG LYS 91 -5.650 -7.626 -1.788 466 2HG LYS 91 2HG LYS 91 -4.185 -6.676 -2.013 467 1HD LYS 91 1HD LYS 91 -4.278 -9.667 -2.595 468 2HD LYS 91 2HD LYS 91 -4.664 -8.406 -3.757 469 1HE LYS 91 1HE LYS 91 -2.369 -7.365 -3.166 470 2HE LYS 91 2HE LYS 91 -1.988 -8.912 -2.383 471 1HZ LYS 91 1HZ LYS 91 -1.395 -8.501 -4.897 472 2HZ LYS 91 2HZ LYS 91 -2.082 -9.941 -4.498 473 3HZ LYS 91 3HZ LYS 91 -2.973 -8.742 -5.193 474 H LYS 92 H LYS 92 -3.642 -10.110 2.293 475 HA LYS 92 HA LYS 92 -1.296 -10.775 1.031 476 1HB LYS 92 1HB LYS 92 -0.607 -11.482 3.132 477 2HB LYS 92 2HB LYS 92 -1.586 -10.008 3.139 478 1HG LYS 92 1HG LYS 92 -3.597 -11.525 3.805 479 2HG LYS 92 2HG LYS 92 -2.421 -12.813 4.068 480 1HD LYS 92 1HD LYS 92 -1.416 -11.609 5.919 481 2HD LYS 92 2HD LYS 92 -2.207 -10.117 5.429 482 1HE LYS 92 1HE LYS 92 -3.356 -10.843 7.349 483 2HE LYS 92 2HE LYS 92 -4.435 -11.044 5.967 484 1HZ LYS 92 1HZ LYS 92 -4.514 -12.945 7.359 485 2HZ LYS 92 2HZ LYS 92 -3.831 -13.371 5.920 486 3HZ LYS 92 3HZ LYS 92 -2.885 -13.177 7.261 487 HHA HEC 93 HHA HEC 93 8.618 -0.105 0.458 488 HHB HEC 93 HHB HEC 93 2.217 -0.020 0.822 489 HHC HEC 93 HHC HEC 93 2.225 4.365 -3.903 490 HHD HEC 93 HHD HEC 93 8.463 3.352 -4.867 491 1HMA HEC 93 1HMA HEC 93 4.619 -1.544 3.495 492 2HMA HEC 93 2HMA HEC 93 3.149 -0.822 2.851 493 3HMA HEC 93 3HMA HEC 93 3.742 -2.365 2.187 494 1HAA HEC 93 1HAA HEC 93 6.860 -1.745 3.202 495 2HAA HEC 93 2HAA HEC 93 7.976 -0.566 2.636 496 1HBA HEC 93 1HBA HEC 93 8.093 -2.112 0.536 497 2HBA HEC 93 2HBA HEC 93 7.364 -3.335 1.569 498 1HMB HEC 93 1HMB HEC 93 -0.228 0.131 -1.006 499 2HMB HEC 93 2HMB HEC 93 0.201 0.718 0.613 500 3HMB HEC 93 3HMB HEC 93 -0.808 1.706 -0.435 501 HAB HEC 93 HAB HEC 93 0.245 3.976 -3.416 502 1HBB HEC 93 1HBB HEC 93 -1.133 3.756 -0.719 503 2HBB HEC 93 2HBB HEC 93 -0.221 5.119 -1.361 504 3HBB HEC 93 3HBB HEC 93 -1.724 4.607 -2.145 505 1HMC HEC 93 1HMC HEC 93 4.187 6.088 -6.605 506 2HMC HEC 93 2HMC HEC 93 3.124 4.682 -6.533 507 3HMC HEC 93 3HMC HEC 93 2.974 5.981 -5.333 508 HAC HEC 93 HAC HEC 93 7.782 4.501 -6.475 509 1HBC HEC 93 1HBC HEC 93 7.298 6.757 -7.505 510 2HBC HEC 93 2HBC HEC 93 6.111 7.003 -6.205 511 3HBC HEC 93 3HBC HEC 93 7.812 6.700 -5.819 512 1HMD HEC 93 1HMD HEC 93 10.104 1.919 -4.996 513 2HMD HEC 93 2HMD HEC 93 11.163 2.780 -3.848 514 3HMD HEC 93 3HMD HEC 93 11.211 1.003 -3.986 515 1HAD HEC 93 1HAD HEC 93 10.917 -0.498 -1.201 516 2HAD HEC 93 2HAD HEC 93 10.494 0.497 0.057 517 1HBD HEC 93 1HBD HEC 93 12.658 0.956 -0.042 518 2HBD HEC 93 2HBD HEC 93 11.756 2.394 -0.518 Start of MODEL 6 1 1H VAL 22 1H VAL 22 -13.921 3.989 0.987 2 2H VAL 22 2H VAL 22 -12.524 4.137 1.848 3 3H VAL 22 3H VAL 22 -13.601 5.434 1.777 4 HA VAL 22 HA VAL 22 -13.329 5.377 -0.617 5 HB VAL 22 HB VAL 22 -10.618 5.664 0.749 6 1HG1 VAL 22 1HG1 VAL 22 -10.545 5.676 -1.730 7 2HG1 VAL 22 2HG1 VAL 22 -11.848 6.878 -1.778 8 3HG1 VAL 22 3HG1 VAL 22 -10.261 7.309 -1.117 9 1HG2 VAL 22 1HG2 VAL 22 -12.213 7.058 1.983 10 2HG2 VAL 22 2HG2 VAL 22 -11.214 8.085 0.950 11 3HG2 VAL 22 3HG2 VAL 22 -12.877 7.699 0.462 12 H ASP 23 H ASP 23 -12.967 4.036 -2.088 13 HA ASP 23 HA ASP 23 -12.762 1.431 -1.775 14 1HB ASP 23 1HB ASP 23 -12.239 3.028 -4.310 15 2HB ASP 23 2HB ASP 23 -12.757 1.334 -4.264 16 H ALA 24 H ALA 24 -11.017 0.692 -0.717 17 HA ALA 24 HA ALA 24 -8.470 1.491 -0.750 18 1HB ALA 24 1HB ALA 24 -7.874 -0.604 0.241 19 2HB ALA 24 2HB ALA 24 -9.465 -0.125 0.857 20 3HB ALA 24 3HB ALA 24 -9.354 -1.385 -0.379 21 H GLU 25 H GLU 25 -9.673 -1.294 -2.692 22 HA GLU 25 HA GLU 25 -7.138 -1.729 -3.890 23 1HB GLU 25 1HB GLU 25 -8.070 -3.396 -5.121 24 2HB GLU 25 2HB GLU 25 -9.233 -3.299 -3.793 25 1HG GLU 25 1HG GLU 25 -10.671 -1.876 -5.203 26 2HG GLU 25 2HG GLU 25 -9.521 -2.112 -6.578 27 H ALA 26 H ALA 26 -9.918 0.331 -4.858 28 HA ALA 26 HA ALA 26 -8.989 0.975 -7.446 29 1HB ALA 26 1HB ALA 26 -10.531 2.860 -5.655 30 2HB ALA 26 2HB ALA 26 -10.498 2.809 -7.418 31 3HB ALA 26 3HB ALA 26 -11.280 1.491 -6.520 32 H VAL 27 H VAL 27 -8.422 2.579 -4.305 33 HA VAL 27 HA VAL 27 -6.502 4.624 -5.109 34 HB VAL 27 HB VAL 27 -6.610 2.896 -2.588 35 1HG1 VAL 27 1HG1 VAL 27 -4.402 4.067 -2.937 36 2HG1 VAL 27 2HG1 VAL 27 -5.302 5.607 -2.913 37 3HG1 VAL 27 3HG1 VAL 27 -5.292 4.570 -1.496 38 1HG2 VAL 27 1HG2 VAL 27 -8.703 4.282 -2.977 39 2HG2 VAL 27 2HG2 VAL 27 -7.797 4.697 -1.519 40 3HG2 VAL 27 3HG2 VAL 27 -7.676 5.720 -2.965 41 H VAL 28 H VAL 28 -5.738 1.097 -4.090 42 HA VAL 28 HA VAL 28 -3.096 1.841 -4.746 43 HB VAL 28 HB VAL 28 -4.509 -0.764 -4.356 44 1HG1 VAL 28 1HG1 VAL 28 -1.988 -0.683 -5.430 45 2HG1 VAL 28 2HG1 VAL 28 -1.625 -0.828 -3.695 46 3HG1 VAL 28 3HG1 VAL 28 -2.628 -2.011 -4.503 47 1HG2 VAL 28 1HG2 VAL 28 -2.910 -0.121 -2.067 48 2HG2 VAL 28 2HG2 VAL 28 -3.589 1.411 -2.579 49 3HG2 VAL 28 3HG2 VAL 28 -4.662 0.065 -2.241 50 H GLN 29 H GLN 29 -5.487 0.153 -6.557 51 HA GLN 29 HA GLN 29 -4.147 -0.510 -8.952 52 1HB GLN 29 1HB GLN 29 -7.050 0.035 -8.225 53 2HB GLN 29 2HB GLN 29 -6.603 -0.520 -9.807 54 1HG GLN 29 1HG GLN 29 -5.894 -2.056 -7.281 55 2HG GLN 29 2HG GLN 29 -7.347 -2.312 -8.247 56 1HE2 GLN 29 1HE2 GLN 29 -4.223 -3.450 -7.794 57 2HE2 GLN 29 2HE2 GLN 29 -3.932 -4.151 -9.363 58 H GLN 30 H GLN 30 -4.693 2.650 -7.722 59 HA GLN 30 HA GLN 30 -3.799 3.640 -10.359 60 1HB GLN 30 1HB GLN 30 -6.378 4.123 -9.219 61 2HB GLN 30 2HB GLN 30 -5.476 5.612 -8.982 62 1HG GLN 30 1HG GLN 30 -4.974 5.756 -11.375 63 2HG GLN 30 2HG GLN 30 -5.547 4.102 -11.648 64 1HE2 GLN 30 1HE2 GLN 30 -7.150 6.756 -9.794 65 2HE2 GLN 30 2HE2 GLN 30 -8.582 6.740 -10.813 66 H LYS 31 H LYS 31 -2.827 3.206 -7.312 67 HA LYS 31 HA LYS 31 -1.366 5.825 -7.136 68 1HB LYS 31 1HB LYS 31 -2.782 4.204 -4.978 69 2HB LYS 31 2HB LYS 31 -1.737 5.500 -4.599 70 1HG LYS 31 1HG LYS 31 -4.090 6.000 -6.417 71 2HG LYS 31 2HG LYS 31 -4.170 6.097 -4.661 72 1HD LYS 31 1HD LYS 31 -2.318 7.733 -4.618 73 2HD LYS 31 2HD LYS 31 -2.285 7.725 -6.399 74 1HE LYS 31 1HE LYS 31 -4.837 8.351 -6.136 75 2HE LYS 31 2HE LYS 31 -4.389 8.721 -4.450 76 1HZ LYS 31 1HZ LYS 31 -2.806 10.287 -5.259 77 2HZ LYS 31 2HZ LYS 31 -3.163 9.930 -6.836 78 3HZ LYS 31 3HZ LYS 31 -4.292 10.642 -5.870 79 H CYS 32 H CYS 32 -1.386 2.396 -6.048 80 HA CYS 32 HA CYS 32 1.479 2.691 -5.324 81 1HB CYS 32 1HB CYS 32 -0.100 0.219 -4.876 82 2HB CYS 32 2HB CYS 32 1.188 0.860 -3.907 83 H ILE 33 H ILE 33 -0.734 0.777 -7.385 84 HA ILE 33 HA ILE 33 1.152 -1.005 -8.425 85 HB ILE 33 HB ILE 33 -0.217 -1.199 -10.371 86 1HG1 ILE 33 1HG1 ILE 33 -2.111 0.970 -9.464 87 2HG1 ILE 33 2HG1 ILE 33 -0.806 1.302 -10.592 88 1HG2 ILE 33 1HG2 ILE 33 -2.294 -1.965 -9.296 89 2HG2 ILE 33 2HG2 ILE 33 -0.895 -2.348 -8.299 90 3HG2 ILE 33 3HG2 ILE 33 -1.935 -0.998 -7.861 91 1HD1 ILE 33 1HD1 ILE 33 -1.590 -0.462 -12.117 92 2HD1 ILE 33 2HD1 ILE 33 -3.009 -0.718 -11.078 93 3HD1 ILE 33 3HD1 ILE 33 -2.753 0.845 -11.879 94 H SER 34 H SER 34 0.747 2.383 -9.038 95 HA SER 34 HA SER 34 2.065 2.862 -11.401 96 1HB SER 34 1HB SER 34 0.968 4.540 -9.841 97 2HB SER 34 2HB SER 34 2.440 4.488 -8.854 98 HG SER 34 HG SER 34 3.523 4.997 -10.965 99 H CYS 35 H CYS 35 3.534 1.774 -8.344 100 HA CYS 35 HA CYS 35 6.179 1.667 -9.745 101 1HB CYS 35 1HB CYS 35 6.020 2.105 -6.755 102 2HB CYS 35 2HB CYS 35 7.349 2.336 -7.862 103 H HIS 36 H HIS 36 3.983 0.213 -7.319 104 HA HIS 36 HA HIS 36 5.668 -2.128 -6.984 105 1HB HIS 36 1HB HIS 36 2.862 -1.429 -6.089 106 2HB HIS 36 2HB HIS 36 3.708 -2.922 -5.665 107 HD1 HIS 36 1HD HIS 36 5.943 -2.685 -4.095 108 HD2 HIS 36 2HD HIS 36 3.540 0.767 -4.629 109 HE1 HIS 36 1HE HIS 36 6.562 -1.038 -2.263 110 H GLY 37 H GLY 37 3.479 -1.212 -9.490 111 1HA GLY 37 1HA GLY 37 3.124 -2.390 -11.429 112 2HA GLY 37 2HA GLY 37 3.660 -3.902 -10.682 113 H GLY 38 H GLY 38 1.253 -3.496 -12.263 114 1HA GLY 38 1HA GLY 38 -1.185 -3.036 -11.169 115 2HA GLY 38 2HA GLY 38 -0.868 -4.354 -12.287 116 H ASP 39 H ASP 39 0.545 -6.141 -10.889 117 HA ASP 39 HA ASP 39 -1.465 -7.351 -9.185 118 1HB ASP 39 1HB ASP 39 1.284 -8.302 -10.082 119 2HB ASP 39 2HB ASP 39 0.018 -9.303 -9.348 120 H LEU 40 H LEU 40 1.109 -5.256 -8.534 121 HA LEU 40 HA LEU 40 2.233 -4.567 -6.744 122 1HB LEU 40 1HB LEU 40 0.289 -6.193 -5.087 123 2HB LEU 40 2HB LEU 40 1.364 -4.939 -4.514 124 HG LEU 40 HG LEU 40 -0.214 -4.032 -6.857 125 1HD1 LEU 40 1HD1 LEU 40 -1.764 -4.708 -4.345 126 2HD1 LEU 40 2HD1 LEU 40 -2.357 -3.875 -5.808 127 3HD1 LEU 40 3HD1 LEU 40 -1.879 -5.574 -5.899 128 1HD2 LEU 40 1HD2 LEU 40 -0.267 -2.816 -4.131 129 2HD2 LEU 40 2HD2 LEU 40 1.211 -2.723 -5.116 130 3HD2 LEU 40 3HD2 LEU 40 -0.292 -2.054 -5.741 131 H THR 41 H THR 41 2.918 -7.053 -8.190 132 HA THR 41 HA THR 41 4.385 -8.804 -6.452 133 HB THR 41 HB THR 41 5.208 -9.477 -8.842 134 HG1 THR 41 1HG THR 41 4.758 -7.607 -9.957 135 1HG2 THR 41 1HG2 THR 41 2.981 -10.444 -9.435 136 2HG2 THR 41 2HG2 THR 41 3.411 -10.714 -7.734 137 3HG2 THR 41 3HG2 THR 41 2.227 -9.465 -8.162 138 H GLY 42 H GLY 42 4.974 -5.584 -7.570 139 1HA GLY 42 1HA GLY 42 6.786 -4.365 -6.824 140 2HA GLY 42 2HA GLY 42 7.785 -5.818 -6.681 141 H ALA 43 H ALA 43 7.222 -3.099 -8.593 142 HA ALA 43 HA ALA 43 8.653 -4.316 -10.940 143 1HB ALA 43 1HB ALA 43 6.600 -2.081 -10.836 144 2HB ALA 43 2HB ALA 43 7.693 -2.354 -12.206 145 3HB ALA 43 3HB ALA 43 6.538 -3.609 -11.719 146 H SER 44 H SER 44 8.171 -1.023 -9.630 147 HA SER 44 HA SER 44 11.098 -0.507 -9.827 148 1HB SER 44 1HB SER 44 9.142 1.017 -10.777 149 2HB SER 44 2HB SER 44 9.040 1.561 -9.092 150 HG SER 44 HG SER 44 10.503 2.850 -10.211 151 H ALA 45 H ALA 45 9.162 -1.926 -7.633 152 HA ALA 45 HA ALA 45 10.428 -0.865 -5.205 153 1HB ALA 45 1HB ALA 45 8.329 0.485 -5.629 154 2HB ALA 45 2HB ALA 45 7.418 -1.023 -5.730 155 3HB ALA 45 3HB ALA 45 8.179 -0.547 -4.199 156 HA PRO 46 HA PRO 46 10.108 -5.259 -4.428 157 1HB PRO 46 1HB PRO 46 9.498 -5.474 -1.741 158 2HB PRO 46 2HB PRO 46 11.105 -4.998 -2.358 159 1HG PRO 46 1HG PRO 46 8.861 -3.187 -1.452 160 2HG PRO 46 2HG PRO 46 10.580 -3.124 -0.958 161 1HD PRO 46 1HD PRO 46 9.615 -1.510 -2.906 162 2HD PRO 46 2HD PRO 46 11.227 -2.250 -3.097 163 H ALA 47 H ALA 47 8.584 -6.954 -3.812 164 HA ALA 47 HA ALA 47 5.917 -6.484 -4.722 165 1HB ALA 47 1HB ALA 47 7.213 -8.695 -4.820 166 2HB ALA 47 2HB ALA 47 6.964 -8.841 -3.077 167 3HB ALA 47 3HB ALA 47 5.568 -8.819 -4.171 168 H ILE 48 H ILE 48 4.249 -5.652 -3.559 169 HA ILE 48 HA ILE 48 4.368 -5.948 -0.592 170 HB ILE 48 HB ILE 48 3.360 -3.837 -0.164 171 1HG1 ILE 48 1HG1 ILE 48 3.395 -2.059 -1.968 172 2HG1 ILE 48 2HG1 ILE 48 3.449 -3.360 -3.145 173 1HG2 ILE 48 1HG2 ILE 48 5.280 -2.441 -0.638 174 2HG2 ILE 48 2HG2 ILE 48 5.803 -4.075 -0.202 175 3HG2 ILE 48 3HG2 ILE 48 5.825 -3.557 -1.898 176 1HD1 ILE 48 1HD1 ILE 48 1.184 -4.057 -2.381 177 2HD1 ILE 48 2HD1 ILE 48 1.325 -3.019 -0.945 178 3HD1 ILE 48 3HD1 ILE 48 1.185 -2.288 -2.542 179 H ASP 49 H ASP 49 2.809 -7.006 -3.291 180 HA ASP 49 HA ASP 49 0.140 -7.281 -2.659 181 1HB ASP 49 1HB ASP 49 0.324 -9.482 -3.686 182 2HB ASP 49 2HB ASP 49 1.345 -8.359 -4.597 183 H LYS 50 H LYS 50 2.881 -8.969 -1.248 184 HA LYS 50 HA LYS 50 1.223 -10.348 0.786 185 1HB LYS 50 1HB LYS 50 3.994 -10.718 -0.368 186 2HB LYS 50 2HB LYS 50 3.559 -11.517 1.146 187 1HG LYS 50 1HG LYS 50 1.734 -11.740 -1.266 188 2HG LYS 50 2HG LYS 50 3.166 -12.759 -1.139 189 1HD LYS 50 1HD LYS 50 2.438 -13.708 0.963 190 2HD LYS 50 2HD LYS 50 1.082 -12.576 1.097 191 1HE LYS 50 1HE LYS 50 -0.016 -13.517 -0.851 192 2HE LYS 50 2HE LYS 50 1.352 -14.605 -1.169 193 1HZ LYS 50 1HZ LYS 50 -0.505 -15.672 -0.011 194 2HZ LYS 50 2HZ LYS 50 0.853 -15.699 0.934 195 3HZ LYS 50 3HZ LYS 50 -0.360 -14.632 1.226 196 H ALA 51 H ALA 51 2.467 -7.358 0.698 197 HA ALA 51 HA ALA 51 4.015 -7.162 3.064 198 1HB ALA 51 1HB ALA 51 3.822 -5.378 1.455 199 2HB ALA 51 2HB ALA 51 2.104 -5.138 1.862 200 3HB ALA 51 3HB ALA 51 3.358 -4.821 3.077 201 H GLY 52 H GLY 52 0.401 -7.479 2.600 202 1HA GLY 52 1HA GLY 52 -0.281 -6.996 5.296 203 2HA GLY 52 2HA GLY 52 -1.121 -8.045 4.144 204 H ALA 53 H ALA 53 1.278 -9.844 3.811 205 HA ALA 53 HA ALA 53 0.844 -11.566 6.154 206 1HB ALA 53 1HB ALA 53 2.314 -13.123 5.045 207 2HB ALA 53 2HB ALA 53 1.159 -12.539 3.844 208 3HB ALA 53 3HB ALA 53 2.819 -11.921 3.855 209 H ASN 54 H ASN 54 3.427 -9.632 4.670 210 HA ASN 54 HA ASN 54 5.452 -10.445 6.535 211 1HB ASN 54 1HB ASN 54 5.400 -7.969 4.766 212 2HB ASN 54 2HB ASN 54 6.828 -8.710 5.492 213 1HD2 ASN 54 1HD2 ASN 54 6.318 -8.207 2.625 214 2HD2 ASN 54 2HD2 ASN 54 6.363 -9.784 1.862 215 H TYR 55 H TYR 55 3.296 -7.648 6.386 216 HA TYR 55 HA TYR 55 4.277 -6.545 8.970 217 1HB TYR 55 1HB TYR 55 3.460 -4.901 6.557 218 2HB TYR 55 2HB TYR 55 4.227 -4.341 8.042 219 HD1 TYR 55 1HD TYR 55 4.936 -4.074 4.909 220 HD2 TYR 55 2HD TYR 55 6.558 -6.201 8.290 221 HE1 TYR 55 1HE TYR 55 7.153 -4.143 3.810 222 HE2 TYR 55 2HE TYR 55 8.752 -6.324 7.152 223 HH TYR 55 HH TYR 55 9.390 -4.743 4.011 224 H SER 56 H SER 56 2.530 -5.014 9.847 225 HA SER 56 HA SER 56 -0.164 -6.182 9.266 226 1HB SER 56 1HB SER 56 0.861 -4.816 11.776 227 2HB SER 56 2HB SER 56 -0.729 -5.565 11.542 228 HG SER 56 HG SER 56 0.482 -7.529 11.002 229 H GLU 57 H GLU 57 -2.004 -4.596 9.792 230 HA GLU 57 HA GLU 57 -1.892 -2.759 7.687 231 1HB GLU 57 1HB GLU 57 -4.122 -2.224 8.159 232 2HB GLU 57 2HB GLU 57 -3.930 -3.912 8.555 233 1HG GLU 57 1HG GLU 57 -5.093 -3.306 10.396 234 2HG GLU 57 2HG GLU 57 -3.513 -2.851 11.040 235 H GLU 58 H GLU 58 -1.374 -2.226 11.218 236 HA GLU 58 HA GLU 58 -1.211 0.559 11.180 237 1HB GLU 58 1HB GLU 58 0.395 0.240 13.098 238 2HB GLU 58 2HB GLU 58 -1.177 -0.549 13.246 239 1HG GLU 58 1HG GLU 58 0.945 -2.307 12.091 240 2HG GLU 58 2HG GLU 58 1.223 -1.789 13.745 241 H GLU 59 H GLU 59 1.358 -1.773 10.302 242 HA GLU 59 HA GLU 59 3.494 0.148 10.080 243 1HB GLU 59 1HB GLU 59 3.086 -2.602 8.840 244 2HB GLU 59 2HB GLU 59 4.628 -1.749 8.906 245 1HG GLU 59 1HG GLU 59 3.131 -2.458 11.472 246 2HG GLU 59 2HG GLU 59 4.162 -3.620 10.635 247 H ILE 60 H ILE 60 1.260 -1.464 7.846 248 HA ILE 60 HA ILE 60 2.402 -0.390 5.432 249 HB ILE 60 HB ILE 60 -0.341 -1.540 6.012 250 1HG1 ILE 60 1HG1 ILE 60 2.076 -2.830 4.677 251 2HG1 ILE 60 2HG1 ILE 60 1.680 -3.019 6.388 252 1HG2 ILE 60 1HG2 ILE 60 -0.191 -1.968 3.404 253 2HG2 ILE 60 2HG2 ILE 60 -0.740 -0.426 4.052 254 3HG2 ILE 60 3HG2 ILE 60 0.919 -0.589 3.445 255 1HD1 ILE 60 1HD1 ILE 60 0.834 -4.932 5.433 256 2HD1 ILE 60 2HD1 ILE 60 -0.597 -3.917 5.673 257 3HD1 ILE 60 3HD1 ILE 60 0.120 -4.096 4.050 258 H LEU 61 H LEU 61 -0.364 0.565 7.477 259 HA LEU 61 HA LEU 61 -1.252 2.842 6.134 260 1HB LEU 61 1HB LEU 61 -2.301 1.753 8.069 261 2HB LEU 61 2HB LEU 61 -1.052 2.335 9.140 262 HG LEU 61 HG LEU 61 -1.704 4.631 8.853 263 1HD1 LEU 61 1HD1 LEU 61 -3.783 5.179 7.470 264 2HD1 LEU 61 2HD1 LEU 61 -2.343 4.768 6.532 265 3HD1 LEU 61 3HD1 LEU 61 -3.623 3.558 6.759 266 1HD2 LEU 61 1HD2 LEU 61 -3.965 4.547 9.803 267 2HD2 LEU 61 2HD2 LEU 61 -4.162 2.874 9.235 268 3HD2 LEU 61 3HD2 LEU 61 -2.952 3.256 10.480 269 H ASP 62 H ASP 62 1.182 2.585 8.766 270 HA ASP 62 HA ASP 62 2.013 5.273 8.848 271 1HB ASP 62 1HB ASP 62 3.088 4.124 10.504 272 2HB ASP 62 2HB ASP 62 3.216 2.634 9.576 273 H ILE 63 H ILE 63 3.203 2.610 6.808 274 HA ILE 63 HA ILE 63 5.224 4.234 5.572 275 HB ILE 63 HB ILE 63 4.014 1.519 5.146 276 1HG1 ILE 63 1HG1 ILE 63 6.922 2.405 5.283 277 2HG1 ILE 63 2HG1 ILE 63 5.922 2.169 6.723 278 1HG2 ILE 63 1HG2 ILE 63 5.534 1.173 3.170 279 2HG2 ILE 63 2HG2 ILE 63 4.083 2.114 2.854 280 3HG2 ILE 63 3HG2 ILE 63 5.672 2.924 3.018 281 1HD1 ILE 63 1HD1 ILE 63 6.609 0.014 4.693 282 2HD1 ILE 63 2HD1 ILE 63 7.209 0.173 6.346 283 3HD1 ILE 63 3HD1 ILE 63 5.494 -0.184 6.064 284 H ILE 64 H ILE 64 1.871 3.507 4.581 285 HA ILE 64 HA ILE 64 2.027 4.799 2.016 286 HB ILE 64 HB ILE 64 -0.273 4.393 3.960 287 1HG1 ILE 64 1HG1 ILE 64 0.170 2.953 1.341 288 2HG1 ILE 64 2HG1 ILE 64 1.084 2.423 2.754 289 1HG2 ILE 64 1HG2 ILE 64 -0.281 5.369 1.072 290 2HG2 ILE 64 2HG2 ILE 64 -1.722 4.757 1.907 291 3HG2 ILE 64 3HG2 ILE 64 -0.921 6.216 2.492 292 1HD1 ILE 64 1HD1 ILE 64 -0.987 2.119 4.050 293 2HD1 ILE 64 2HD1 ILE 64 -1.940 2.641 2.661 294 3HD1 ILE 64 3HD1 ILE 64 -0.958 1.157 2.575 295 H LEU 65 H LEU 65 1.090 5.979 5.261 296 HA LEU 65 HA LEU 65 0.574 8.669 4.414 297 1HB LEU 65 1HB LEU 65 1.248 7.470 7.115 298 2HB LEU 65 2HB LEU 65 0.680 9.125 6.879 299 HG LEU 65 HG LEU 65 -1.014 6.714 6.002 300 1HD1 LEU 65 1HD1 LEU 65 -2.207 7.023 8.144 301 2HD1 LEU 65 2HD1 LEU 65 -0.509 6.610 8.458 302 3HD1 LEU 65 3HD1 LEU 65 -1.060 8.287 8.628 303 1HD2 LEU 65 1HD2 LEU 65 -1.589 8.805 4.977 304 2HD2 LEU 65 2HD2 LEU 65 -2.828 8.314 6.148 305 3HD2 LEU 65 3HD2 LEU 65 -1.687 9.607 6.567 306 H ASN 66 H ASN 66 3.505 7.042 5.534 307 HA ASN 66 HA ASN 66 4.981 9.585 5.841 308 1HB ASN 66 1HB ASN 66 5.505 6.704 6.681 309 2HB ASN 66 2HB ASN 66 6.739 7.927 6.747 310 1HD2 ASN 66 1HD2 ASN 66 3.683 6.929 8.091 311 2HD2 ASN 66 2HD2 ASN 66 3.678 8.019 9.471 312 H GLY 67 H GLY 67 5.507 6.412 4.211 313 1HA GLY 67 1HA GLY 67 6.438 6.588 1.879 314 2HA GLY 67 2HA GLY 67 7.710 7.596 2.593 315 H GLN 68 H GLN 68 9.031 5.868 1.665 316 HA GLN 68 HA GLN 68 10.172 4.220 3.637 317 1HB GLN 68 1HB GLN 68 8.447 2.420 2.849 318 2HB GLN 68 2HB GLN 68 8.869 2.867 1.213 319 1HG GLN 68 1HG GLN 68 9.785 0.766 1.997 320 2HG GLN 68 2HG GLN 68 11.046 1.876 1.443 321 1HE2 GLN 68 1HE2 GLN 68 10.724 -0.572 3.381 322 2HE2 GLN 68 2HE2 GLN 68 11.679 -0.031 4.762 323 H GLY 69 H GLY 69 12.317 3.538 2.643 324 1HA GLY 69 1HA GLY 69 14.157 4.649 1.545 325 2HA GLY 69 2HA GLY 69 13.590 3.348 0.503 326 H GLY 70 H GLY 70 12.872 3.888 -1.633 327 1HA GLY 70 1HA GLY 70 13.068 6.727 -2.461 328 2HA GLY 70 2HA GLY 70 13.040 5.277 -3.464 329 H MET 71 H MET 71 10.590 5.449 -1.021 330 HA MET 71 HA MET 71 8.477 5.716 -3.049 331 1HB MET 71 1HB MET 71 8.465 3.884 -1.380 332 2HB MET 71 2HB MET 71 8.419 5.045 -0.088 333 1HG MET 71 1HG MET 71 6.294 5.799 -0.537 334 2HG MET 71 2HG MET 71 6.187 5.019 -2.108 335 1HE MET 71 1HE MET 71 3.684 3.425 0.726 336 2HE MET 71 2HE MET 71 4.485 4.991 0.968 337 3HE MET 71 3HE MET 71 3.753 4.604 -0.604 338 HA PRO 72 HA PRO 72 8.377 10.040 -1.895 339 1HB PRO 72 1HB PRO 72 5.891 10.806 -2.866 340 2HB PRO 72 2HB PRO 72 7.339 10.534 -3.877 341 1HG PRO 72 1HG PRO 72 5.112 8.573 -3.290 342 2HG PRO 72 2HG PRO 72 5.812 8.988 -4.881 343 1HD PRO 72 1HD PRO 72 6.603 6.785 -3.577 344 2HD PRO 72 2HD PRO 72 7.846 7.828 -4.344 345 H GLY 73 H GLY 73 5.496 8.109 -1.132 346 1HA GLY 73 1HA GLY 73 4.457 7.826 0.927 347 2HA GLY 73 2HA GLY 73 5.568 9.005 1.644 348 H GLY 74 H GLY 74 2.785 8.875 2.161 349 1HA GLY 74 1HA GLY 74 0.985 10.269 2.407 350 2HA GLY 74 2HA GLY 74 1.961 11.612 1.785 351 H ILE 75 H ILE 75 1.712 8.730 -0.145 352 HA ILE 75 HA ILE 75 0.572 10.064 -2.400 353 HB ILE 75 HB ILE 75 1.231 7.211 -1.633 354 1HG1 ILE 75 1HG1 ILE 75 2.955 8.906 -2.372 355 2HG1 ILE 75 2HG1 ILE 75 2.923 7.363 -3.246 356 1HG2 ILE 75 1HG2 ILE 75 0.679 6.437 -3.923 357 2HG2 ILE 75 2HG2 ILE 75 -0.736 6.833 -2.945 358 3HG2 ILE 75 3HG2 ILE 75 -0.174 7.968 -4.201 359 1HD1 ILE 75 1HD1 ILE 75 3.278 9.337 -4.733 360 2HD1 ILE 75 2HD1 ILE 75 1.859 8.387 -5.175 361 3HD1 ILE 75 3HD1 ILE 75 1.668 9.933 -4.318 362 H ALA 76 H ALA 76 -0.816 8.399 0.346 363 HA ALA 76 HA ALA 76 -3.453 9.202 -0.555 364 1HB ALA 76 1HB ALA 76 -3.514 6.848 -1.177 365 2HB ALA 76 2HB ALA 76 -2.646 6.374 0.299 366 3HB ALA 76 3HB ALA 76 -4.310 6.944 0.412 367 H LYS 77 H LYS 77 -4.758 9.773 1.376 368 HA LYS 77 HA LYS 77 -3.456 9.296 3.984 369 1HB LYS 77 1HB LYS 77 -4.116 12.057 2.875 370 2HB LYS 77 2HB LYS 77 -3.876 11.683 4.569 371 1HG LYS 77 1HG LYS 77 -1.544 10.651 3.672 372 2HG LYS 77 2HG LYS 77 -1.874 11.730 2.323 373 1HD LYS 77 1HD LYS 77 -0.549 13.020 3.760 374 2HD LYS 77 2HD LYS 77 -2.191 13.570 4.150 375 1HE LYS 77 1HE LYS 77 -2.170 11.893 6.097 376 2HE LYS 77 2HE LYS 77 -0.487 11.520 5.681 377 1HZ LYS 77 1HZ LYS 77 -0.606 13.072 7.453 378 2HZ LYS 77 2HZ LYS 77 0.052 13.819 6.149 379 3HZ LYS 77 3HZ LYS 77 -1.511 14.128 6.577 380 H GLY 78 H GLY 78 -4.719 9.672 5.835 381 1HA GLY 78 1HA GLY 78 -6.609 9.356 7.073 382 2HA GLY 78 2HA GLY 78 -7.480 10.290 5.842 383 H ALA 79 H ALA 79 -9.288 8.983 5.759 384 HA ALA 79 HA ALA 79 -9.693 6.341 5.815 385 1HB ALA 79 1HB ALA 79 -11.478 7.982 5.582 386 2HB ALA 79 2HB ALA 79 -11.040 8.255 3.879 387 3HB ALA 79 3HB ALA 79 -11.669 6.675 4.401 388 H GLU 80 H GLU 80 -8.332 8.056 3.046 389 HA GLU 80 HA GLU 80 -8.392 6.049 1.046 390 1HB GLU 80 1HB GLU 80 -7.731 8.622 1.105 391 2HB GLU 80 2HB GLU 80 -6.134 7.997 1.488 392 1HG GLU 80 1HG GLU 80 -6.255 6.708 -0.707 393 2HG GLU 80 2HG GLU 80 -7.778 7.549 -1.027 394 H ALA 81 H ALA 81 -5.752 6.887 3.424 395 HA ALA 81 HA ALA 81 -4.127 4.647 2.598 396 1HB ALA 81 1HB ALA 81 -3.917 6.477 5.020 397 2HB ALA 81 2HB ALA 81 -2.648 5.413 4.364 398 3HB ALA 81 3HB ALA 81 -3.209 6.802 3.422 399 H GLU 82 H GLU 82 -6.396 5.380 5.268 400 HA GLU 82 HA GLU 82 -5.873 3.094 6.897 401 1HB GLU 82 1HB GLU 82 -8.457 4.618 6.418 402 2HB GLU 82 2HB GLU 82 -8.178 3.496 7.745 403 1HG GLU 82 1HG GLU 82 -6.553 4.907 8.768 404 2HG GLU 82 2HG GLU 82 -6.399 5.943 7.351 405 H ALA 83 H ALA 83 -8.258 3.605 4.251 406 HA ALA 83 HA ALA 83 -9.305 0.978 4.251 407 1HB ALA 83 1HB ALA 83 -9.070 2.891 1.892 408 2HB ALA 83 2HB ALA 83 -10.191 1.521 2.073 409 3HB ALA 83 3HB ALA 83 -10.355 2.921 3.127 410 H VAL 84 H VAL 84 -6.586 2.420 2.303 411 HA VAL 84 HA VAL 84 -5.798 0.046 0.990 412 HB VAL 84 HB VAL 84 -4.019 2.221 2.129 413 1HG1 VAL 84 1HG1 VAL 84 -3.336 -0.058 0.209 414 2HG1 VAL 84 2HG1 VAL 84 -2.291 1.294 0.694 415 3HG1 VAL 84 3HG1 VAL 84 -2.724 0.066 1.862 416 1HG2 VAL 84 1HG2 VAL 84 -5.309 3.092 0.279 417 2HG2 VAL 84 2HG2 VAL 84 -3.658 2.737 -0.291 418 3HG2 VAL 84 3HG2 VAL 84 -4.999 1.635 -0.676 419 H ALA 85 H ALA 85 -4.734 1.170 4.271 420 HA ALA 85 HA ALA 85 -2.944 -0.894 4.810 421 1HB ALA 85 1HB ALA 85 -4.807 0.475 6.812 422 2HB ALA 85 2HB ALA 85 -3.264 -0.311 7.143 423 3HB ALA 85 3HB ALA 85 -3.309 1.160 6.152 424 H ALA 86 H ALA 86 -6.414 -0.792 5.756 425 HA ALA 86 HA ALA 86 -6.536 -3.429 6.787 426 1HB ALA 86 1HB ALA 86 -8.974 -3.216 6.488 427 2HB ALA 86 2HB ALA 86 -8.268 -1.742 7.184 428 3HB ALA 86 3HB ALA 86 -8.734 -1.780 5.467 429 H TRP 87 H TRP 87 -7.255 -2.234 3.465 430 HA TRP 87 HA TRP 87 -8.079 -4.732 2.386 431 1HB TRP 87 1HB TRP 87 -8.605 -2.651 1.372 432 2HB TRP 87 2HB TRP 87 -6.878 -2.244 1.216 433 HD1 TRP 87 HD TRP 87 -9.506 -4.486 -0.499 434 HE1 TRP 87 1HE TRP 87 -8.532 -5.367 -2.687 435 HE3 TRP 87 3HE TRP 87 -4.962 -2.107 -0.388 436 HZ2 TRP 87 2HZ TRP 87 -5.092 -5.033 -3.151 437 HZ3 TRP 87 3HZ TRP 87 -3.637 -2.091 -2.495 438 HH2 TRP 87 HH TRP 87 -4.484 -3.183 -4.535 439 H LEU 88 H LEU 88 -4.841 -3.203 2.471 440 HA LEU 88 HA LEU 88 -3.597 -5.234 0.910 441 1HB LEU 88 1HB LEU 88 -2.797 -2.705 1.849 442 2HB LEU 88 2HB LEU 88 -1.722 -3.837 2.644 443 HG LEU 88 HG LEU 88 -0.957 -2.971 0.425 444 1HD1 LEU 88 1HD1 LEU 88 -1.405 -5.993 0.569 445 2HD1 LEU 88 2HD1 LEU 88 -0.362 -5.172 -0.595 446 3HD1 LEU 88 3HD1 LEU 88 0.002 -5.082 1.150 447 1HD2 LEU 88 1HD2 LEU 88 -1.718 -3.545 -1.631 448 2HD2 LEU 88 2HD2 LEU 88 -3.150 -4.345 -0.951 449 3HD2 LEU 88 3HD2 LEU 88 -2.814 -2.604 -0.611 450 H ALA 89 H ALA 89 -3.889 -4.627 4.401 451 HA ALA 89 HA ALA 89 -2.560 -6.934 5.376 452 1HB ALA 89 1HB ALA 89 -5.036 -5.587 6.478 453 2HB ALA 89 2HB ALA 89 -4.008 -6.766 7.315 454 3HB ALA 89 3HB ALA 89 -3.338 -5.195 6.827 455 H GLU 90 H GLU 90 -5.950 -6.525 4.222 456 HA GLU 90 HA GLU 90 -6.609 -9.287 4.600 457 1HB GLU 90 1HB GLU 90 -8.157 -7.450 4.728 458 2HB GLU 90 2HB GLU 90 -7.916 -7.025 3.044 459 1HG GLU 90 1HG GLU 90 -8.890 -9.819 3.711 460 2HG GLU 90 2HG GLU 90 -10.006 -8.458 3.860 461 H LYS 91 H LYS 91 -4.568 -7.903 2.201 462 HA LYS 91 HA LYS 91 -5.541 -9.528 -0.021 463 1HB LYS 91 1HB LYS 91 -4.263 -7.103 0.342 464 2HB LYS 91 2HB LYS 91 -2.933 -8.080 -0.218 465 1HG LYS 91 1HG LYS 91 -5.692 -7.711 -1.522 466 2HG LYS 91 2HG LYS 91 -4.252 -6.781 -1.934 467 1HD LYS 91 1HD LYS 91 -4.552 -9.801 -2.310 468 2HD LYS 91 2HD LYS 91 -4.676 -8.551 -3.561 469 1HE LYS 91 1HE LYS 91 -2.305 -7.803 -2.761 470 2HE LYS 91 2HE LYS 91 -2.199 -9.362 -1.936 471 1HZ LYS 91 1HZ LYS 91 -2.272 -10.446 -4.000 472 2HZ LYS 91 2HZ LYS 91 -2.903 -9.154 -4.808 473 3HZ LYS 91 3HZ LYS 91 -1.347 -9.128 -4.344 474 H LYS 92 H LYS 92 -3.711 -10.186 2.636 475 HA LYS 92 HA LYS 92 -1.292 -11.247 1.597 476 1HB LYS 92 1HB LYS 92 -0.814 -11.623 3.849 477 2HB LYS 92 2HB LYS 92 -1.693 -10.095 3.626 478 1HG LYS 92 1HG LYS 92 -3.810 -11.384 4.327 479 2HG LYS 92 2HG LYS 92 -2.778 -12.759 4.722 480 1HD LYS 92 1HD LYS 92 -1.721 -11.572 6.552 481 2HD LYS 92 2HD LYS 92 -2.253 -10.027 5.924 482 1HE LYS 92 1HE LYS 92 -3.608 -10.399 7.813 483 2HE LYS 92 2HE LYS 92 -4.638 -10.582 6.394 484 1HZ LYS 92 1HZ LYS 92 -5.085 -12.297 7.908 485 2HZ LYS 92 2HZ LYS 92 -4.368 -12.963 6.584 486 3HZ LYS 92 3HZ LYS 92 -3.507 -12.768 7.981 487 HHA HEC 93 HHA HEC 93 8.543 -0.062 0.470 488 HHB HEC 93 HHB HEC 93 2.112 -0.121 0.735 489 HHC HEC 93 HHC HEC 93 2.112 4.368 -3.834 490 HHD HEC 93 HHD HEC 93 8.346 3.287 -4.930 491 1HMA HEC 93 1HMA HEC 93 3.934 -2.538 2.252 492 2HMA HEC 93 2HMA HEC 93 4.501 -1.418 3.511 493 3HMA HEC 93 3HMA HEC 93 3.001 -1.080 2.651 494 1HAA HEC 93 1HAA HEC 93 6.791 -1.832 3.122 495 2HAA HEC 93 2HAA HEC 93 7.880 -0.579 2.633 496 1HBA HEC 93 1HBA HEC 93 8.107 -2.081 0.483 497 2HBA HEC 93 2HBA HEC 93 7.407 -3.343 1.487 498 1HMB HEC 93 1HMB HEC 93 -0.008 0.752 0.543 499 2HMB HEC 93 2HMB HEC 93 -0.959 1.119 -0.902 500 3HMB HEC 93 3HMB HEC 93 0.095 -0.282 -0.890 501 HAB HEC 93 HAB HEC 93 0.136 3.942 -3.359 502 1HBB HEC 93 1HBB HEC 93 -0.493 4.839 -1.209 503 2HBB HEC 93 2HBB HEC 93 -1.929 4.274 -2.081 504 3HBB HEC 93 3HBB HEC 93 -1.271 3.321 -0.739 505 1HMC HEC 93 1HMC HEC 93 2.729 5.836 -5.276 506 2HMC HEC 93 2HMC HEC 93 4.111 6.489 -6.115 507 3HMC HEC 93 3HMC HEC 93 3.318 5.034 -6.735 508 HAC HEC 93 HAC HEC 93 7.628 4.351 -6.562 509 1HBC HEC 93 1HBC HEC 93 7.857 6.545 -6.092 510 2HBC HEC 93 2HBC HEC 93 7.205 6.548 -7.726 511 3HBC HEC 93 3HBC HEC 93 6.154 6.959 -6.361 512 1HMD HEC 93 1HMD HEC 93 11.071 2.774 -3.849 513 2HMD HEC 93 2HMD HEC 93 11.131 1.003 -4.046 514 3HMD HEC 93 3HMD HEC 93 10.038 1.944 -5.040 515 1HAD HEC 93 1HAD HEC 93 10.835 -0.544 -1.281 516 2HAD HEC 93 2HAD HEC 93 10.434 0.431 -0.011 517 1HBD HEC 93 1HBD HEC 93 12.559 0.994 -0.118 518 2HBD HEC 93 2HBD HEC 93 11.658 2.387 -0.737 Start of MODEL 7 1 1H VAL 22 1H VAL 22 -14.512 4.085 0.219 2 2H VAL 22 2H VAL 22 -13.493 3.997 1.514 3 3H VAL 22 3H VAL 22 -14.254 5.440 1.148 4 HA VAL 22 HA VAL 22 -13.128 5.444 -0.969 5 HB VAL 22 HB VAL 22 -11.090 5.191 1.291 6 1HG1 VAL 22 1HG1 VAL 22 -11.168 6.749 -1.340 7 2HG1 VAL 22 2HG1 VAL 22 -9.906 6.894 -0.110 8 3HG1 VAL 22 3HG1 VAL 22 -10.127 5.360 -0.968 9 1HG2 VAL 22 1HG2 VAL 22 -11.399 7.647 1.576 10 2HG2 VAL 22 2HG2 VAL 22 -12.819 7.582 0.512 11 3HG2 VAL 22 3HG2 VAL 22 -12.821 6.734 2.080 12 H ASP 23 H ASP 23 -12.927 3.889 -2.384 13 HA ASP 23 HA ASP 23 -12.828 1.248 -1.776 14 1HB ASP 23 1HB ASP 23 -12.347 2.644 -4.431 15 2HB ASP 23 2HB ASP 23 -12.886 0.968 -4.221 16 H ALA 24 H ALA 24 -11.114 0.533 -0.689 17 HA ALA 24 HA ALA 24 -8.570 1.362 -0.689 18 1HB ALA 24 1HB ALA 24 -9.426 -1.484 -0.167 19 2HB ALA 24 2HB ALA 24 -7.975 -0.628 0.433 20 3HB ALA 24 3HB ALA 24 -9.589 -0.133 0.976 21 H GLU 25 H GLU 25 -9.602 -1.555 -2.568 22 HA GLU 25 HA GLU 25 -6.983 -1.927 -3.625 23 1HB GLU 25 1HB GLU 25 -7.784 -3.653 -4.863 24 2HB GLU 25 2HB GLU 25 -8.975 -3.589 -3.562 25 1HG GLU 25 1HG GLU 25 -10.499 -2.331 -5.098 26 2HG GLU 25 2HG GLU 25 -9.276 -2.504 -6.404 27 H ALA 26 H ALA 26 -9.834 -0.109 -4.833 28 HA ALA 26 HA ALA 26 -8.845 0.555 -7.372 29 1HB ALA 26 1HB ALA 26 -10.545 2.396 -5.677 30 2HB ALA 26 2HB ALA 26 -10.445 2.313 -7.436 31 3HB ALA 26 3HB ALA 26 -11.187 0.972 -6.537 32 H VAL 27 H VAL 27 -8.420 2.272 -4.241 33 HA VAL 27 HA VAL 27 -6.727 4.391 -5.126 34 HB VAL 27 HB VAL 27 -6.620 2.793 -2.531 35 1HG1 VAL 27 1HG1 VAL 27 -4.437 3.878 -2.889 36 2HG1 VAL 27 2HG1 VAL 27 -5.258 5.411 -3.257 37 3HG1 VAL 27 3HG1 VAL 27 -5.347 4.712 -1.633 38 1HG2 VAL 27 1HG2 VAL 27 -8.739 4.080 -2.914 39 2HG2 VAL 27 2HG2 VAL 27 -7.776 4.712 -1.572 40 3HG2 VAL 27 3HG2 VAL 27 -7.769 5.549 -3.137 41 H VAL 28 H VAL 28 -5.686 1.026 -4.038 42 HA VAL 28 HA VAL 28 -3.055 1.849 -4.682 43 HB VAL 28 HB VAL 28 -4.216 -0.866 -4.026 44 1HG1 VAL 28 1HG1 VAL 28 -1.895 -0.990 -5.075 45 2HG1 VAL 28 2HG1 VAL 28 -1.296 -0.153 -3.618 46 3HG1 VAL 28 3HG1 VAL 28 -2.034 -1.691 -3.461 47 1HG2 VAL 28 1HG2 VAL 28 -3.478 1.594 -2.502 48 2HG2 VAL 28 2HG2 VAL 28 -4.527 0.245 -2.052 49 3HG2 VAL 28 3HG2 VAL 28 -2.757 0.150 -1.849 50 H GLN 29 H GLN 29 -5.337 -0.011 -6.402 51 HA GLN 29 HA GLN 29 -3.917 -0.612 -8.788 52 1HB GLN 29 1HB GLN 29 -6.861 -0.363 -8.069 53 2HB GLN 29 2HB GLN 29 -6.346 -0.927 -9.630 54 1HG GLN 29 1HG GLN 29 -5.640 -2.270 -6.998 55 2HG GLN 29 2HG GLN 29 -6.830 -2.816 -8.182 56 1HE2 GLN 29 1HE2 GLN 29 -3.904 -3.705 -7.107 57 2HE2 GLN 29 2HE2 GLN 29 -3.114 -4.138 -8.618 58 H GLN 30 H GLN 30 -4.635 2.493 -7.638 59 HA GLN 30 HA GLN 30 -3.927 3.385 -10.391 60 1HB GLN 30 1HB GLN 30 -6.406 3.897 -9.187 61 2HB GLN 30 2HB GLN 30 -5.495 5.385 -8.909 62 1HG GLN 30 1HG GLN 30 -4.977 5.478 -11.357 63 2HG GLN 30 2HG GLN 30 -5.824 3.937 -11.585 64 1HE2 GLN 30 1HE2 GLN 30 -6.452 7.211 -10.161 65 2HE2 GLN 30 2HE2 GLN 30 -8.094 7.296 -10.785 66 H LYS 31 H LYS 31 -3.238 3.700 -6.989 67 HA LYS 31 HA LYS 31 -1.524 6.075 -7.504 68 1HB LYS 31 1HB LYS 31 -3.601 5.465 -5.647 69 2HB LYS 31 2HB LYS 31 -2.146 5.529 -4.697 70 1HG LYS 31 1HG LYS 31 -1.880 7.831 -5.120 71 2HG LYS 31 2HG LYS 31 -2.704 7.750 -6.692 72 1HD LYS 31 1HD LYS 31 -4.853 7.407 -5.683 73 2HD LYS 31 2HD LYS 31 -4.168 7.299 -4.065 74 1HE LYS 31 1HE LYS 31 -3.585 9.843 -5.566 75 2HE LYS 31 2HE LYS 31 -5.282 9.542 -5.157 76 1HZ LYS 31 1HZ LYS 31 -4.230 10.741 -3.390 77 2HZ LYS 31 2HZ LYS 31 -4.707 9.258 -2.895 78 3HZ LYS 31 3HZ LYS 31 -3.117 9.546 -3.162 79 H CYS 32 H CYS 32 -1.310 2.697 -6.731 80 HA CYS 32 HA CYS 32 1.463 3.107 -5.666 81 1HB CYS 32 1HB CYS 32 -0.304 0.768 -5.222 82 2HB CYS 32 2HB CYS 32 1.104 1.206 -4.269 83 H ILE 33 H ILE 33 -0.636 0.995 -7.660 84 HA ILE 33 HA ILE 33 1.256 -0.774 -8.632 85 HB ILE 33 HB ILE 33 -0.052 -0.881 -10.705 86 1HG1 ILE 33 1HG1 ILE 33 -1.944 1.210 -9.586 87 2HG1 ILE 33 2HG1 ILE 33 -0.690 1.609 -10.759 88 1HG2 ILE 33 1HG2 ILE 33 -2.107 -1.755 -9.673 89 2HG2 ILE 33 2HG2 ILE 33 -0.691 -2.184 -8.729 90 3HG2 ILE 33 3HG2 ILE 33 -1.735 -0.884 -8.175 91 1HD1 ILE 33 1HD1 ILE 33 -2.725 1.226 -11.956 92 2HD1 ILE 33 2HD1 ILE 33 -1.561 -0.048 -12.352 93 3HD1 ILE 33 3HD1 ILE 33 -2.913 -0.391 -11.254 94 H SER 34 H SER 34 0.908 2.588 -9.425 95 HA SER 34 HA SER 34 2.346 3.094 -11.660 96 1HB SER 34 1HB SER 34 1.326 4.738 -10.044 97 2HB SER 34 2HB SER 34 2.760 4.545 -9.011 98 HG SER 34 HG SER 34 2.871 6.337 -10.490 99 H CYS 35 H CYS 35 3.781 2.166 -8.482 100 HA CYS 35 HA CYS 35 6.396 1.751 -9.893 101 1HB CYS 35 1HB CYS 35 6.256 2.162 -6.904 102 2HB CYS 35 2HB CYS 35 7.604 2.302 -8.007 103 H HIS 36 H HIS 36 4.087 0.449 -7.456 104 HA HIS 36 HA HIS 36 5.681 -1.920 -7.028 105 1HB HIS 36 1HB HIS 36 2.861 -1.135 -6.260 106 2HB HIS 36 2HB HIS 36 3.588 -2.692 -5.842 107 HD1 HIS 36 1HD HIS 36 5.779 -2.639 -4.196 108 HD2 HIS 36 2HD HIS 36 3.661 0.983 -4.748 109 HE1 HIS 36 1HE HIS 36 6.488 -1.064 -2.329 110 H GLY 37 H GLY 37 3.574 -1.114 -9.641 111 1HA GLY 37 1HA GLY 37 3.349 -2.364 -11.572 112 2HA GLY 37 2HA GLY 37 3.859 -3.846 -10.746 113 H GLY 38 H GLY 38 1.489 -3.502 -12.419 114 1HA GLY 38 1HA GLY 38 -0.954 -2.942 -11.387 115 2HA GLY 38 2HA GLY 38 -0.655 -4.316 -12.451 116 H ASP 39 H ASP 39 0.404 -6.267 -11.213 117 HA ASP 39 HA ASP 39 -1.484 -7.221 -9.361 118 1HB ASP 39 1HB ASP 39 1.243 -8.385 -10.011 119 2HB ASP 39 2HB ASP 39 -0.214 -9.256 -9.516 120 H LEU 40 H LEU 40 1.059 -5.120 -8.691 121 HA LEU 40 HA LEU 40 2.197 -4.452 -6.893 122 1HB LEU 40 1HB LEU 40 0.168 -6.028 -5.274 123 2HB LEU 40 2HB LEU 40 1.180 -4.710 -4.698 124 HG LEU 40 HG LEU 40 -0.778 -4.300 -7.011 125 1HD1 LEU 40 1HD1 LEU 40 -2.358 -3.411 -5.381 126 2HD1 LEU 40 2HD1 LEU 40 -2.081 -5.146 -5.171 127 3HD1 LEU 40 3HD1 LEU 40 -1.311 -3.996 -4.055 128 1HD2 LEU 40 1HD2 LEU 40 0.429 -2.342 -5.019 129 2HD2 LEU 40 2HD2 LEU 40 1.047 -2.606 -6.660 130 3HD2 LEU 40 3HD2 LEU 40 -0.570 -1.972 -6.433 131 H THR 41 H THR 41 2.782 -7.079 -8.212 132 HA THR 41 HA THR 41 4.205 -8.666 -6.272 133 HB THR 41 HB THR 41 4.909 -9.751 -8.516 134 HG1 THR 41 1HG THR 41 4.579 -8.028 -9.900 135 1HG2 THR 41 1HG2 THR 41 3.030 -10.630 -7.192 136 2HG2 THR 41 2HG2 THR 41 1.935 -9.420 -7.881 137 3HG2 THR 41 3HG2 THR 41 2.637 -10.668 -8.924 138 H GLY 42 H GLY 42 4.900 -5.595 -7.595 139 1HA GLY 42 1HA GLY 42 6.681 -4.465 -6.776 140 2HA GLY 42 2HA GLY 42 7.609 -5.952 -6.532 141 H ALA 43 H ALA 43 6.459 -3.692 -9.025 142 HA ALA 43 HA ALA 43 8.394 -4.667 -11.008 143 1HB ALA 43 1HB ALA 43 6.511 -2.277 -11.030 144 2HB ALA 43 2HB ALA 43 7.560 -2.777 -12.374 145 3HB ALA 43 3HB ALA 43 6.277 -3.856 -11.794 146 H SER 44 H SER 44 8.009 -1.267 -9.949 147 HA SER 44 HA SER 44 10.951 -0.891 -10.003 148 1HB SER 44 1HB SER 44 8.682 1.123 -9.812 149 2HB SER 44 2HB SER 44 10.393 1.479 -10.082 150 HG SER 44 HG SER 44 10.199 0.179 -12.027 151 H ALA 45 H ALA 45 8.852 -1.920 -7.736 152 HA ALA 45 HA ALA 45 10.237 -0.754 -5.405 153 1HB ALA 45 1HB ALA 45 8.231 0.674 -5.841 154 2HB ALA 45 2HB ALA 45 7.221 -0.771 -5.883 155 3HB ALA 45 3HB ALA 45 8.027 -0.302 -4.378 156 HA PRO 46 HA PRO 46 9.914 -5.066 -4.455 157 1HB PRO 46 1HB PRO 46 9.343 -5.232 -1.753 158 2HB PRO 46 2HB PRO 46 10.930 -4.731 -2.406 159 1HG PRO 46 1HG PRO 46 8.637 -2.952 -1.558 160 2HG PRO 46 2HG PRO 46 10.346 -2.849 -1.031 161 1HD PRO 46 1HD PRO 46 9.411 -1.286 -3.027 162 2HD PRO 46 2HD PRO 46 11.012 -2.053 -3.220 163 H ALA 47 H ALA 47 8.462 -6.777 -3.741 164 HA ALA 47 HA ALA 47 5.800 -6.399 -4.746 165 1HB ALA 47 1HB ALA 47 7.046 -8.716 -3.221 166 2HB ALA 47 2HB ALA 47 5.589 -8.777 -4.254 167 3HB ALA 47 3HB ALA 47 7.195 -8.489 -4.954 168 H ILE 48 H ILE 48 4.187 -5.484 -3.599 169 HA ILE 48 HA ILE 48 4.195 -5.845 -0.629 170 HB ILE 48 HB ILE 48 3.127 -3.749 -0.261 171 1HG1 ILE 48 1HG1 ILE 48 3.279 -1.986 -2.092 172 2HG1 ILE 48 2HG1 ILE 48 3.337 -3.312 -3.251 173 1HG2 ILE 48 1HG2 ILE 48 5.583 -4.000 -0.220 174 2HG2 ILE 48 2HG2 ILE 48 5.650 -3.493 -1.919 175 3HG2 ILE 48 3HG2 ILE 48 5.080 -2.367 -0.682 176 1HD1 ILE 48 1HD1 ILE 48 1.053 -4.009 -2.461 177 2HD1 ILE 48 2HD1 ILE 48 1.141 -2.797 -1.162 178 3HD1 ILE 48 3HD1 ILE 48 1.055 -2.278 -2.846 179 H ASP 49 H ASP 49 2.730 -6.863 -3.406 180 HA ASP 49 HA ASP 49 0.122 -7.416 -2.968 181 1HB ASP 49 1HB ASP 49 0.644 -9.681 -3.795 182 2HB ASP 49 2HB ASP 49 1.467 -8.437 -4.721 183 H LYS 50 H LYS 50 2.759 -8.984 -1.316 184 HA LYS 50 HA LYS 50 0.977 -10.414 0.538 185 1HB LYS 50 1HB LYS 50 2.540 -12.009 0.681 186 2HB LYS 50 2HB LYS 50 2.974 -11.377 -0.898 187 1HG LYS 50 1HG LYS 50 4.371 -10.941 1.782 188 2HG LYS 50 2HG LYS 50 4.939 -11.866 0.433 189 1HD LYS 50 1HD LYS 50 4.482 -9.030 -0.350 190 2HD LYS 50 2HD LYS 50 5.511 -9.156 1.046 191 1HE LYS 50 1HE LYS 50 6.877 -9.202 -0.931 192 2HE LYS 50 2HE LYS 50 6.950 -10.803 -0.212 193 1HZ LYS 50 1HZ LYS 50 6.537 -10.778 -2.654 194 2HZ LYS 50 2HZ LYS 50 5.355 -11.567 -1.828 195 3HZ LYS 50 3HZ LYS 50 5.066 -10.065 -2.392 196 H ALA 51 H ALA 51 2.132 -7.388 0.677 197 HA ALA 51 HA ALA 51 3.835 -7.216 2.879 198 1HB ALA 51 1HB ALA 51 3.075 -4.891 3.062 199 2HB ALA 51 2HB ALA 51 3.324 -5.382 1.370 200 3HB ALA 51 3HB ALA 51 1.685 -5.264 2.028 201 H GLY 52 H GLY 52 0.226 -7.491 2.862 202 1HA GLY 52 1HA GLY 52 -0.215 -7.127 5.596 203 2HA GLY 52 2HA GLY 52 -1.171 -8.163 4.515 204 H ALA 53 H ALA 53 1.168 -9.983 3.983 205 HA ALA 53 HA ALA 53 0.976 -11.716 6.340 206 1HB ALA 53 1HB ALA 53 1.178 -12.668 4.040 207 2HB ALA 53 2HB ALA 53 2.794 -11.942 3.902 208 3HB ALA 53 3HB ALA 53 2.479 -13.181 5.122 209 H ASN 54 H ASN 54 3.409 -9.585 4.844 210 HA ASN 54 HA ASN 54 5.534 -10.380 6.657 211 1HB ASN 54 1HB ASN 54 5.269 -7.980 4.792 212 2HB ASN 54 2HB ASN 54 6.727 -8.407 5.695 213 1HD2 ASN 54 1HD2 ASN 54 7.336 -8.212 3.215 214 2HD2 ASN 54 2HD2 ASN 54 7.444 -9.780 2.432 215 H TYR 55 H TYR 55 3.167 -7.762 6.579 216 HA TYR 55 HA TYR 55 4.134 -6.587 9.124 217 1HB TYR 55 1HB TYR 55 3.441 -5.033 6.600 218 2HB TYR 55 2HB TYR 55 4.051 -4.373 8.111 219 HD1 TYR 55 1HD TYR 55 5.007 -4.392 4.983 220 HD2 TYR 55 2HD TYR 55 6.417 -5.954 8.747 221 HE1 TYR 55 1HE TYR 55 7.344 -4.316 4.148 222 HE2 TYR 55 2HE TYR 55 8.728 -5.950 7.883 223 HH TYR 55 HH TYR 55 10.117 -5.359 6.134 224 H SER 56 H SER 56 2.468 -5.134 10.017 225 HA SER 56 HA SER 56 -0.294 -6.112 9.392 226 1HB SER 56 1HB SER 56 1.013 -4.818 11.793 227 2HB SER 56 2HB SER 56 -0.748 -4.803 11.595 228 HG SER 56 HG SER 56 -0.031 -6.578 12.764 229 H GLU 57 H GLU 57 -2.071 -4.521 9.548 230 HA GLU 57 HA GLU 57 -1.909 -2.520 7.616 231 1HB GLU 57 1HB GLU 57 -4.019 -1.616 8.700 232 2HB GLU 57 2HB GLU 57 -4.089 -3.269 8.136 233 1HG GLU 57 1HG GLU 57 -3.824 -4.120 10.440 234 2HG GLU 57 2HG GLU 57 -3.665 -2.456 11.042 235 H GLU 58 H GLU 58 -1.522 -2.176 11.171 236 HA GLU 58 HA GLU 58 -1.207 0.563 11.372 237 1HB GLU 58 1HB GLU 58 0.100 0.047 13.416 238 2HB GLU 58 2HB GLU 58 -1.357 -0.928 13.246 239 1HG GLU 58 1HG GLU 58 0.385 -2.662 12.107 240 2HG GLU 58 2HG GLU 58 1.511 -1.772 13.133 241 H GLU 59 H GLU 59 1.379 -1.781 10.541 242 HA GLU 59 HA GLU 59 3.494 0.137 10.281 243 1HB GLU 59 1HB GLU 59 3.045 -2.657 9.150 244 2HB GLU 59 2HB GLU 59 4.581 -1.812 9.046 245 1HG GLU 59 1HG GLU 59 4.783 -1.761 11.483 246 2HG GLU 59 2HG GLU 59 3.185 -2.507 11.665 247 H ILE 60 H ILE 60 1.344 -1.475 7.940 248 HA ILE 60 HA ILE 60 2.562 -0.393 5.585 249 HB ILE 60 HB ILE 60 -0.211 -1.493 6.108 250 1HG1 ILE 60 1HG1 ILE 60 2.013 -2.839 4.558 251 2HG1 ILE 60 2HG1 ILE 60 1.963 -2.960 6.320 252 1HG2 ILE 60 1HG2 ILE 60 -0.243 -1.829 3.561 253 2HG2 ILE 60 2HG2 ILE 60 -0.470 -0.192 4.165 254 3HG2 ILE 60 3HG2 ILE 60 1.105 -0.681 3.495 255 1HD1 ILE 60 1HD1 ILE 60 0.903 -4.900 5.344 256 2HD1 ILE 60 2HD1 ILE 60 -0.289 -3.942 6.237 257 3HD1 ILE 60 3HD1 ILE 60 -0.261 -3.892 4.465 258 H LEU 61 H LEU 61 -0.244 0.600 7.489 259 HA LEU 61 HA LEU 61 -1.137 2.897 6.201 260 1HB LEU 61 1HB LEU 61 -2.163 1.805 8.176 261 2HB LEU 61 2HB LEU 61 -0.839 2.317 9.190 262 HG LEU 61 HG LEU 61 -1.434 4.687 8.849 263 1HD1 LEU 61 1HD1 LEU 61 -2.472 4.648 6.669 264 2HD1 LEU 61 2HD1 LEU 61 -3.685 3.475 7.214 265 3HD1 LEU 61 3HD1 LEU 61 -3.721 5.148 7.819 266 1HD2 LEU 61 1HD2 LEU 61 -3.727 2.921 9.791 267 2HD2 LEU 61 2HD2 LEU 61 -2.331 3.441 10.762 268 3HD2 LEU 61 3HD2 LEU 61 -3.502 4.641 10.184 269 H ASP 62 H ASP 62 1.343 2.600 8.814 270 HA ASP 62 HA ASP 62 1.970 5.369 8.837 271 1HB ASP 62 1HB ASP 62 2.692 3.812 10.618 272 2HB ASP 62 2HB ASP 62 3.840 3.057 9.495 273 H ILE 63 H ILE 63 3.339 2.656 6.966 274 HA ILE 63 HA ILE 63 5.426 4.206 5.719 275 HB ILE 63 HB ILE 63 4.062 1.560 5.216 276 1HG1 ILE 63 1HG1 ILE 63 7.028 2.123 5.326 277 2HG1 ILE 63 2HG1 ILE 63 6.067 2.114 6.812 278 1HG2 ILE 63 1HG2 ILE 63 4.215 2.202 2.950 279 2HG2 ILE 63 2HG2 ILE 63 5.831 2.939 3.170 280 3HG2 ILE 63 3HG2 ILE 63 5.620 1.189 3.261 281 1HD1 ILE 63 1HD1 ILE 63 5.319 -0.164 6.421 282 2HD1 ILE 63 2HD1 ILE 63 6.176 -0.233 4.871 283 3HD1 ILE 63 3HD1 ILE 63 7.089 -0.091 6.380 284 H ILE 64 H ILE 64 2.062 3.526 4.660 285 HA ILE 64 HA ILE 64 2.275 4.894 2.153 286 HB ILE 64 HB ILE 64 -0.077 4.420 4.018 287 1HG1 ILE 64 1HG1 ILE 64 0.511 3.044 1.386 288 2HG1 ILE 64 2HG1 ILE 64 1.307 2.479 2.857 289 1HG2 ILE 64 1HG2 ILE 64 -0.023 5.467 1.157 290 2HG2 ILE 64 2HG2 ILE 64 -1.480 4.834 1.949 291 3HG2 ILE 64 3HG2 ILE 64 -0.695 6.276 2.586 292 1HD1 ILE 64 1HD1 ILE 64 -0.853 2.168 3.984 293 2HD1 ILE 64 2HD1 ILE 64 -1.700 2.708 2.528 294 3HD1 ILE 64 3HD1 ILE 64 -0.724 1.223 2.492 295 H LEU 65 H LEU 65 1.199 6.005 5.381 296 HA LEU 65 HA LEU 65 0.649 8.687 4.607 297 1HB LEU 65 1HB LEU 65 1.434 7.446 7.267 298 2HB LEU 65 2HB LEU 65 0.910 9.122 7.093 299 HG LEU 65 HG LEU 65 -0.898 6.776 6.290 300 1HD1 LEU 65 1HD1 LEU 65 -1.992 7.123 8.462 301 2HD1 LEU 65 2HD1 LEU 65 -0.287 6.708 8.738 302 3HD1 LEU 65 3HD1 LEU 65 -0.823 8.391 8.888 303 1HD2 LEU 65 1HD2 LEU 65 -1.400 9.728 6.812 304 2HD2 LEU 65 2HD2 LEU 65 -1.420 8.849 5.267 305 3HD2 LEU 65 3HD2 LEU 65 -2.637 8.483 6.505 306 H ASN 66 H ASN 66 3.618 7.142 5.714 307 HA ASN 66 HA ASN 66 5.076 9.677 6.052 308 1HB ASN 66 1HB ASN 66 5.678 6.752 6.675 309 2HB ASN 66 2HB ASN 66 6.903 7.970 6.762 310 1HD2 ASN 66 1HD2 ASN 66 3.709 7.167 7.984 311 2HD2 ASN 66 2HD2 ASN 66 4.082 7.527 9.629 312 H GLY 67 H GLY 67 5.696 6.547 4.368 313 1HA GLY 67 1HA GLY 67 6.583 6.843 1.979 314 2HA GLY 67 2HA GLY 67 7.868 7.776 2.777 315 H GLN 68 H GLN 68 9.002 5.925 1.632 316 HA GLN 68 HA GLN 68 10.071 4.233 3.646 317 1HB GLN 68 1HB GLN 68 8.382 2.484 2.652 318 2HB GLN 68 2HB GLN 68 8.975 2.957 1.078 319 1HG GLN 68 1HG GLN 68 9.765 0.829 1.951 320 2HG GLN 68 2HG GLN 68 11.083 1.914 1.483 321 1HE2 GLN 68 1HE2 GLN 68 10.484 -0.488 3.470 322 2HE2 GLN 68 2HE2 GLN 68 11.399 0.044 4.869 323 H GLY 69 H GLY 69 12.256 3.505 2.705 324 1HA GLY 69 1HA GLY 69 14.127 4.872 1.843 325 2HA GLY 69 2HA GLY 69 13.815 3.459 0.836 326 H GLY 70 H GLY 70 13.048 3.784 -1.378 327 1HA GLY 70 1HA GLY 70 13.209 6.558 -2.403 328 2HA GLY 70 2HA GLY 70 13.272 5.038 -3.294 329 H MET 71 H MET 71 10.799 5.766 -0.866 330 HA MET 71 HA MET 71 8.695 5.870 -2.980 331 1HB MET 71 1HB MET 71 8.654 3.918 -1.502 332 2HB MET 71 2HB MET 71 8.613 4.942 -0.103 333 1HG MET 71 1HG MET 71 6.479 5.797 -0.559 334 2HG MET 71 2HG MET 71 6.386 5.045 -2.152 335 1HE MET 71 1HE MET 71 4.724 4.956 1.001 336 2HE MET 71 2HE MET 71 3.912 4.567 -0.539 337 3HE MET 71 3HE MET 71 3.934 3.381 0.779 338 HA PRO 72 HA PRO 72 8.697 10.091 -1.568 339 1HB PRO 72 1HB PRO 72 6.328 11.044 -2.666 340 2HB PRO 72 2HB PRO 72 7.840 10.767 -3.575 341 1HG PRO 72 1HG PRO 72 5.472 8.913 -3.319 342 2HG PRO 72 2HG PRO 72 6.353 9.363 -4.805 343 1HD PRO 72 1HD PRO 72 6.891 7.041 -3.556 344 2HD PRO 72 2HD PRO 72 8.246 8.039 -4.181 345 H GLY 73 H GLY 73 5.709 8.237 -1.061 346 1HA GLY 73 1HA GLY 73 4.608 7.888 0.957 347 2HA GLY 73 2HA GLY 73 5.706 9.034 1.737 348 H GLY 74 H GLY 74 2.983 8.931 2.253 349 1HA GLY 74 1HA GLY 74 1.186 10.345 2.537 350 2HA GLY 74 2HA GLY 74 2.158 11.676 1.854 351 H ILE 75 H ILE 75 1.860 8.740 0.050 352 HA ILE 75 HA ILE 75 0.770 9.991 -2.271 353 HB ILE 75 HB ILE 75 1.137 7.110 -1.391 354 1HG1 ILE 75 1HG1 ILE 75 2.798 8.264 -3.583 355 2HG1 ILE 75 2HG1 ILE 75 3.095 8.993 -2.006 356 1HG2 ILE 75 1HG2 ILE 75 -0.525 7.021 -3.139 357 2HG2 ILE 75 2HG2 ILE 75 0.386 8.179 -4.138 358 3HG2 ILE 75 3HG2 ILE 75 1.025 6.554 -3.846 359 1HD1 ILE 75 1HD1 ILE 75 3.603 6.892 -0.990 360 2HD1 ILE 75 2HD1 ILE 75 3.018 5.998 -2.398 361 3HD1 ILE 75 3HD1 ILE 75 4.513 6.942 -2.518 362 H ALA 76 H ALA 76 -0.648 8.376 0.533 363 HA ALA 76 HA ALA 76 -3.286 9.288 -0.278 364 1HB ALA 76 1HB ALA 76 -4.211 7.054 0.619 365 2HB ALA 76 2HB ALA 76 -3.428 6.942 -0.975 366 3HB ALA 76 3HB ALA 76 -2.577 6.404 0.488 367 H LYS 77 H LYS 77 -4.485 9.858 1.735 368 HA LYS 77 HA LYS 77 -3.177 9.206 4.238 369 1HB LYS 77 1HB LYS 77 -3.659 12.079 3.324 370 2HB LYS 77 2HB LYS 77 -3.300 11.558 4.960 371 1HG LYS 77 1HG LYS 77 -1.090 10.544 3.933 372 2HG LYS 77 2HG LYS 77 -1.479 11.576 2.552 373 1HD LYS 77 1HD LYS 77 -1.667 13.492 4.221 374 2HD LYS 77 2HD LYS 77 -1.011 12.434 5.466 375 1HE LYS 77 1HE LYS 77 0.473 12.931 2.838 376 2HE LYS 77 2HE LYS 77 0.518 14.117 4.132 377 1HZ LYS 77 1HZ LYS 77 1.492 12.519 5.601 378 2HZ LYS 77 2HZ LYS 77 1.558 11.348 4.463 379 3HZ LYS 77 3HZ LYS 77 2.401 12.710 4.263 380 H GLY 78 H GLY 78 -4.444 9.867 6.128 381 1HA GLY 78 1HA GLY 78 -6.370 9.632 7.336 382 2HA GLY 78 2HA GLY 78 -7.177 10.534 6.038 383 H ALA 79 H ALA 79 -9.034 9.310 5.961 384 HA ALA 79 HA ALA 79 -9.515 6.653 6.116 385 1HB ALA 79 1HB ALA 79 -11.482 7.029 4.703 386 2HB ALA 79 2HB ALA 79 -11.253 8.355 5.858 387 3HB ALA 79 3HB ALA 79 -10.807 8.577 4.148 388 H GLU 80 H GLU 80 -8.076 8.293 3.315 389 HA GLU 80 HA GLU 80 -8.322 6.159 1.440 390 1HB GLU 80 1HB GLU 80 -7.673 8.679 1.116 391 2HB GLU 80 2HB GLU 80 -6.045 8.159 1.548 392 1HG GLU 80 1HG GLU 80 -6.221 6.460 -0.351 393 2HG GLU 80 2HG GLU 80 -7.745 7.230 -0.803 394 H ALA 81 H ALA 81 -5.638 7.063 3.744 395 HA ALA 81 HA ALA 81 -4.011 4.825 2.890 396 1HB ALA 81 1HB ALA 81 -3.065 6.946 3.724 397 2HB ALA 81 2HB ALA 81 -3.749 6.611 5.334 398 3HB ALA 81 3HB ALA 81 -2.506 5.542 4.631 399 H GLU 82 H GLU 82 -6.263 5.521 5.604 400 HA GLU 82 HA GLU 82 -5.866 3.127 7.100 401 1HB GLU 82 1HB GLU 82 -8.366 4.796 6.648 402 2HB GLU 82 2HB GLU 82 -8.210 3.526 7.861 403 1HG GLU 82 1HG GLU 82 -6.393 4.716 8.976 404 2HG GLU 82 2HG GLU 82 -6.401 5.986 7.746 405 H ALA 83 H ALA 83 -8.199 3.818 4.463 406 HA ALA 83 HA ALA 83 -9.318 1.258 4.237 407 1HB ALA 83 1HB ALA 83 -9.924 1.929 1.947 408 2HB ALA 83 2HB ALA 83 -10.244 3.225 3.107 409 3HB ALA 83 3HB ALA 83 -8.826 3.317 2.037 410 H VAL 84 H VAL 84 -6.493 2.641 2.415 411 HA VAL 84 HA VAL 84 -5.786 0.300 1.048 412 HB VAL 84 HB VAL 84 -3.913 2.380 2.246 413 1HG1 VAL 84 1HG1 VAL 84 -3.399 0.068 0.323 414 2HG1 VAL 84 2HG1 VAL 84 -2.268 1.397 0.614 415 3HG1 VAL 84 3HG1 VAL 84 -2.654 0.271 1.909 416 1HG2 VAL 84 1HG2 VAL 84 -4.904 1.947 -0.592 417 2HG2 VAL 84 2HG2 VAL 84 -5.247 3.346 0.434 418 3HG2 VAL 84 3HG2 VAL 84 -3.587 3.043 -0.121 419 H ALA 85 H ALA 85 -4.503 1.359 4.252 420 HA ALA 85 HA ALA 85 -2.796 -0.780 4.698 421 1HB ALA 85 1HB ALA 85 -2.949 -0.157 7.054 422 2HB ALA 85 2HB ALA 85 -2.851 1.274 6.005 423 3HB ALA 85 3HB ALA 85 -4.402 0.812 6.743 424 H ALA 86 H ALA 86 -6.221 -0.527 5.832 425 HA ALA 86 HA ALA 86 -6.316 -3.082 7.075 426 1HB ALA 86 1HB ALA 86 -8.015 -1.359 7.418 427 2HB ALA 86 2HB ALA 86 -8.536 -1.485 5.723 428 3HB ALA 86 3HB ALA 86 -8.767 -2.858 6.834 429 H TRP 87 H TRP 87 -7.375 -2.130 3.777 430 HA TRP 87 HA TRP 87 -8.115 -4.692 2.822 431 1HB TRP 87 1HB TRP 87 -8.769 -2.754 1.657 432 2HB TRP 87 2HB TRP 87 -7.105 -2.146 1.636 433 HD1 TRP 87 HD TRP 87 -9.211 -4.682 -0.331 434 HE1 TRP 87 1HE TRP 87 -7.861 -5.422 -2.373 435 HE3 TRP 87 3HE TRP 87 -5.146 -1.716 0.343 436 HZ2 TRP 87 2HZ TRP 87 -4.979 -4.980 -3.300 437 HZ3 TRP 87 3HZ TRP 87 -3.264 -1.787 -1.230 438 HH2 TRP 87 HH TRP 87 -3.364 -3.268 -3.232 439 H LEU 88 H LEU 88 -4.933 -3.085 2.861 440 HA LEU 88 HA LEU 88 -3.720 -5.216 1.338 441 1HB LEU 88 1HB LEU 88 -3.158 -2.627 1.489 442 2HB LEU 88 2HB LEU 88 -2.052 -3.175 2.708 443 HG LEU 88 HG LEU 88 -1.264 -2.838 0.342 444 1HD1 LEU 88 1HD1 LEU 88 -0.223 -4.356 2.099 445 2HD1 LEU 88 2HD1 LEU 88 -0.874 -5.715 1.124 446 3HD1 LEU 88 3HD1 LEU 88 0.226 -4.528 0.374 447 1HD2 LEU 88 1HD2 LEU 88 -1.853 -5.502 -0.730 448 2HD2 LEU 88 2HD2 LEU 88 -3.305 -4.545 -0.584 449 3HD2 LEU 88 3HD2 LEU 88 -1.882 -3.930 -1.477 450 H ALA 89 H ALA 89 -4.051 -4.489 4.715 451 HA ALA 89 HA ALA 89 -2.342 -6.612 5.681 452 1HB ALA 89 1HB ALA 89 -2.949 -4.826 7.116 453 2HB ALA 89 2HB ALA 89 -4.686 -5.230 6.996 454 3HB ALA 89 3HB ALA 89 -3.557 -6.352 7.785 455 H GLU 90 H GLU 90 -5.659 -6.403 4.479 456 HA GLU 90 HA GLU 90 -6.319 -9.181 5.015 457 1HB GLU 90 1HB GLU 90 -8.016 -7.549 4.861 458 2HB GLU 90 2HB GLU 90 -7.559 -7.023 3.268 459 1HG GLU 90 1HG GLU 90 -8.354 -9.912 3.569 460 2HG GLU 90 2HG GLU 90 -9.592 -8.657 3.636 461 H LYS 91 H LYS 91 -4.683 -7.459 2.431 462 HA LYS 91 HA LYS 91 -5.258 -9.090 0.488 463 1HB LYS 91 1HB LYS 91 -4.497 -6.809 0.292 464 2HB LYS 91 2HB LYS 91 -2.811 -7.345 0.430 465 1HG LYS 91 1HG LYS 91 -3.512 -6.806 -1.862 466 2HG LYS 91 2HG LYS 91 -3.080 -8.496 -1.801 467 1HD LYS 91 1HD LYS 91 -5.926 -7.429 -1.498 468 2HD LYS 91 2HD LYS 91 -5.225 -7.826 -3.066 469 1HE LYS 91 1HE LYS 91 -5.583 -10.038 -2.847 470 2HE LYS 91 2HE LYS 91 -4.925 -10.129 -1.239 471 1HZ LYS 91 1HZ LYS 91 -7.685 -9.254 -1.893 472 2HZ LYS 91 2HZ LYS 91 -7.243 -10.673 -1.185 473 3HZ LYS 91 3HZ LYS 91 -7.068 -9.268 -0.386 474 H LYS 92 H LYS 92 -3.976 -10.834 2.483 475 HA LYS 92 HA LYS 92 -1.229 -11.338 1.453 476 1HB LYS 92 1HB LYS 92 -0.734 -11.633 3.625 477 2HB LYS 92 2HB LYS 92 -1.812 -10.223 3.409 478 1HG LYS 92 1HG LYS 92 -3.733 -11.595 4.286 479 2HG LYS 92 2HG LYS 92 -2.646 -12.974 4.530 480 1HD LYS 92 1HD LYS 92 -1.320 -11.733 6.137 481 2HD LYS 92 2HD LYS 92 -2.094 -10.230 5.615 482 1HE LYS 92 1HE LYS 92 -4.289 -11.275 6.563 483 2HE LYS 92 2HE LYS 92 -3.176 -12.291 7.501 484 1HZ LYS 92 1HZ LYS 92 -2.084 -10.118 8.118 485 2HZ LYS 92 2HZ LYS 92 -3.320 -9.366 7.331 486 3HZ LYS 92 3HZ LYS 92 -3.642 -10.253 8.688 487 HHA HEC 93 HHA HEC 93 8.582 -0.118 0.396 488 HHB HEC 93 HHB HEC 93 2.145 0.094 0.666 489 HHC HEC 93 HHC HEC 93 2.348 4.382 -4.133 490 HHD HEC 93 HHD HEC 93 8.587 3.286 -4.954 491 1HMA HEC 93 1HMA HEC 93 3.059 -1.790 1.962 492 2HMA HEC 93 2HMA HEC 93 4.517 -2.195 2.872 493 3HMA HEC 93 3HMA HEC 93 3.644 -0.692 3.238 494 1HAA HEC 93 1HAA HEC 93 6.784 -1.772 3.094 495 2HAA HEC 93 2HAA HEC 93 7.879 -0.545 2.576 496 1HBA HEC 93 1HBA HEC 93 7.960 -2.087 0.419 497 2HBA HEC 93 2HBA HEC 93 7.350 -3.332 1.504 498 1HMB HEC 93 1HMB HEC 93 0.000 1.013 0.336 499 2HMB HEC 93 2HMB HEC 93 -0.890 1.421 -1.142 500 3HMB HEC 93 3HMB HEC 93 0.107 -0.029 -1.091 501 HAB HEC 93 HAB HEC 93 0.428 4.367 -3.368 502 1HBB HEC 93 1HBB HEC 93 -0.136 5.062 -1.140 503 2HBB HEC 93 2HBB HEC 93 -1.607 4.746 -2.077 504 3HBB HEC 93 3HBB HEC 93 -1.071 3.590 -0.847 505 1HMC HEC 93 1HMC HEC 93 3.086 4.780 -6.516 506 2HMC HEC 93 2HMC HEC 93 3.335 6.193 -5.470 507 3HMC HEC 93 3HMC HEC 93 4.355 5.943 -6.895 508 HAC HEC 93 HAC HEC 93 7.946 4.431 -6.584 509 1HBC HEC 93 1HBC HEC 93 7.917 6.643 -5.895 510 2HBC HEC 93 2HBC HEC 93 7.578 6.666 -7.627 511 3HBC HEC 93 3HBC HEC 93 6.264 6.940 -6.462 512 1HMD HEC 93 1HMD HEC 93 10.199 1.799 -5.047 513 2HMD HEC 93 2HMD HEC 93 11.255 2.650 -3.890 514 3HMD HEC 93 3HMD HEC 93 11.268 0.871 -4.005 515 1HAD HEC 93 1HAD HEC 93 10.933 -0.566 -1.240 516 2HAD HEC 93 2HAD HEC 93 10.489 0.403 0.024 517 1HBD HEC 93 1HBD HEC 93 12.593 1.039 -0.008 518 2HBD HEC 93 2HBD HEC 93 11.694 2.381 -0.681 Start of MODEL 8 1 1H VAL 22 1H VAL 22 -14.450 4.372 -0.160 2 2H VAL 22 2H VAL 22 -13.426 4.530 1.123 3 3H VAL 22 3H VAL 22 -14.185 5.885 0.497 4 HA VAL 22 HA VAL 22 -13.076 5.474 -1.591 5 HB VAL 22 HB VAL 22 -11.146 5.708 0.767 6 1HG1 VAL 22 1HG1 VAL 22 -9.698 5.294 -0.954 7 2HG1 VAL 22 2HG1 VAL 22 -10.816 5.815 -2.229 8 3HG1 VAL 22 3HG1 VAL 22 -9.957 7.020 -1.274 9 1HG2 VAL 22 1HG2 VAL 22 -12.492 7.843 -0.952 10 2HG2 VAL 22 2HG2 VAL 22 -12.836 7.519 0.766 11 3HG2 VAL 22 3HG2 VAL 22 -11.251 8.126 0.286 12 H ASP 23 H ASP 23 -12.820 3.733 -2.730 13 HA ASP 23 HA ASP 23 -12.663 1.131 -1.643 14 1HB ASP 23 1HB ASP 23 -12.445 2.240 -4.469 15 2HB ASP 23 2HB ASP 23 -12.367 0.508 -4.121 16 H ALA 24 H ALA 24 -10.927 0.661 -0.529 17 HA ALA 24 HA ALA 24 -8.405 1.530 -0.642 18 1HB ALA 24 1HB ALA 24 -9.287 -1.309 -0.059 19 2HB ALA 24 2HB ALA 24 -7.757 -0.544 0.449 20 3HB ALA 24 3HB ALA 24 -9.307 0.036 1.091 21 H GLU 25 H GLU 25 -9.548 -1.377 -2.447 22 HA GLU 25 HA GLU 25 -7.018 -1.815 -3.667 23 1HB GLU 25 1HB GLU 25 -7.916 -3.539 -4.790 24 2HB GLU 25 2HB GLU 25 -9.140 -3.392 -3.522 25 1HG GLU 25 1HG GLU 25 -10.564 -2.112 -5.040 26 2HG GLU 25 2HG GLU 25 -9.345 -2.317 -6.357 27 H ALA 26 H ALA 26 -9.832 0.184 -4.685 28 HA ALA 26 HA ALA 26 -8.818 0.805 -7.270 29 1HB ALA 26 1HB ALA 26 -10.384 2.606 -7.323 30 2HB ALA 26 2HB ALA 26 -11.172 1.239 -6.509 31 3HB ALA 26 3HB ALA 26 -10.545 2.620 -5.566 32 H VAL 27 H VAL 27 -8.293 2.334 -4.071 33 HA VAL 27 HA VAL 27 -6.520 4.467 -4.944 34 HB VAL 27 HB VAL 27 -6.193 2.787 -2.413 35 1HG1 VAL 27 1HG1 VAL 27 -5.348 5.633 -3.045 36 2HG1 VAL 27 2HG1 VAL 27 -5.042 4.734 -1.549 37 3HG1 VAL 27 3HG1 VAL 27 -4.254 4.233 -3.044 38 1HG2 VAL 27 1HG2 VAL 27 -8.469 3.699 -2.402 39 2HG2 VAL 27 2HG2 VAL 27 -7.442 4.566 -1.262 40 3HG2 VAL 27 3HG2 VAL 27 -7.845 5.306 -2.831 41 H VAL 28 H VAL 28 -5.661 0.991 -3.920 42 HA VAL 28 HA VAL 28 -3.032 1.776 -4.585 43 HB VAL 28 HB VAL 28 -4.459 -0.756 -3.865 44 1HG1 VAL 28 1HG1 VAL 28 -2.051 -1.660 -3.286 45 2HG1 VAL 28 2HG1 VAL 28 -2.742 -1.793 -4.914 46 3HG1 VAL 28 3HG1 VAL 28 -1.581 -0.536 -4.560 47 1HG2 VAL 28 1HG2 VAL 28 -2.645 0.022 -1.826 48 2HG2 VAL 28 2HG2 VAL 28 -3.291 1.546 -2.426 49 3HG2 VAL 28 3HG2 VAL 28 -4.398 0.308 -1.887 50 H GLN 29 H GLN 29 -5.348 -0.047 -6.341 51 HA GLN 29 HA GLN 29 -3.920 -0.622 -8.736 52 1HB GLN 29 1HB GLN 29 -6.839 -0.402 -7.990 53 2HB GLN 29 2HB GLN 29 -6.380 -0.825 -9.591 54 1HG GLN 29 1HG GLN 29 -6.880 -2.685 -7.790 55 2HG GLN 29 2HG GLN 29 -5.746 -2.927 -9.117 56 1HE2 GLN 29 1HE2 GLN 29 -3.525 -3.454 -8.625 57 2HE2 GLN 29 2HE2 GLN 29 -2.963 -3.452 -6.992 58 H GLN 30 H GLN 30 -4.676 2.482 -7.553 59 HA GLN 30 HA GLN 30 -3.977 3.421 -10.302 60 1HB GLN 30 1HB GLN 30 -6.354 4.057 -9.044 61 2HB GLN 30 2HB GLN 30 -5.323 5.411 -8.566 62 1HG GLN 30 1HG GLN 30 -4.650 5.612 -11.035 63 2HG GLN 30 2HG GLN 30 -5.908 4.418 -11.396 64 1HE2 GLN 30 1HE2 GLN 30 -7.986 5.283 -9.659 65 2HE2 GLN 30 2HE2 GLN 30 -8.491 6.877 -10.200 66 H LYS 31 H LYS 31 -3.184 3.568 -6.898 67 HA LYS 31 HA LYS 31 -1.341 5.854 -7.361 68 1HB LYS 31 1HB LYS 31 -3.387 5.184 -5.325 69 2HB LYS 31 2HB LYS 31 -1.897 5.719 -4.639 70 1HG LYS 31 1HG LYS 31 -1.970 7.762 -6.032 71 2HG LYS 31 2HG LYS 31 -3.443 7.169 -6.835 72 1HD LYS 31 1HD LYS 31 -4.652 7.176 -4.678 73 2HD LYS 31 2HD LYS 31 -3.170 7.654 -3.835 74 1HE LYS 31 1HE LYS 31 -3.176 9.773 -5.297 75 2HE LYS 31 2HE LYS 31 -4.801 9.287 -5.821 76 1HZ LYS 31 1HZ LYS 31 -3.937 9.818 -3.038 77 2HZ LYS 31 2HZ LYS 31 -4.938 10.779 -3.947 78 3HZ LYS 31 3HZ LYS 31 -5.426 9.292 -3.458 79 H CYS 32 H CYS 32 -1.294 2.465 -6.461 80 HA CYS 32 HA CYS 32 1.544 2.863 -5.561 81 1HB CYS 32 1HB CYS 32 0.172 0.316 -5.062 82 2HB CYS 32 2HB CYS 32 1.417 1.074 -4.133 83 H ILE 33 H ILE 33 -0.647 0.877 -7.577 84 HA ILE 33 HA ILE 33 1.215 -0.882 -8.606 85 HB ILE 33 HB ILE 33 -0.129 -0.984 -10.642 86 1HG1 ILE 33 1HG1 ILE 33 -1.983 1.140 -9.520 87 2HG1 ILE 33 2HG1 ILE 33 -0.725 1.531 -10.690 88 1HG2 ILE 33 1HG2 ILE 33 -1.776 -0.925 -8.086 89 2HG2 ILE 33 2HG2 ILE 33 -2.173 -1.813 -9.569 90 3HG2 ILE 33 3HG2 ILE 33 -0.757 -2.243 -8.615 91 1HD1 ILE 33 1HD1 ILE 33 -2.754 1.170 -11.898 92 2HD1 ILE 33 2HD1 ILE 33 -1.601 -0.113 -12.292 93 3HD1 ILE 33 3HD1 ILE 33 -2.961 -0.448 -11.199 94 H SER 34 H SER 34 0.906 2.509 -9.330 95 HA SER 34 HA SER 34 2.321 2.853 -11.654 96 1HB SER 34 1HB SER 34 1.215 4.636 -10.231 97 2HB SER 34 2HB SER 34 2.650 4.601 -9.183 98 HG SER 34 HG SER 34 3.816 4.958 -11.289 99 H CYS 35 H CYS 35 3.661 1.866 -8.514 100 HA CYS 35 HA CYS 35 6.318 1.583 -9.844 101 1HB CYS 35 1HB CYS 35 6.134 2.084 -6.865 102 2HB CYS 35 2HB CYS 35 7.506 2.207 -7.939 103 H HIS 36 H HIS 36 4.027 0.319 -7.368 104 HA HIS 36 HA HIS 36 5.586 -2.086 -6.973 105 1HB HIS 36 1HB HIS 36 2.786 -1.300 -6.101 106 2HB HIS 36 2HB HIS 36 3.592 -2.803 -5.671 107 HD1 HIS 36 1HD HIS 36 5.780 -2.689 -4.081 108 HD2 HIS 36 2HD HIS 36 3.667 0.922 -4.691 109 HE1 HIS 36 1HE HIS 36 6.502 -1.078 -2.247 110 H GLY 37 H GLY 37 3.505 -1.216 -9.569 111 1HA GLY 37 1HA GLY 37 3.151 -2.466 -11.459 112 2HA GLY 37 2HA GLY 37 3.696 -3.945 -10.651 113 H GLY 38 H GLY 38 1.302 -3.625 -12.276 114 1HA GLY 38 1HA GLY 38 -1.127 -3.067 -11.266 115 2HA GLY 38 2HA GLY 38 -0.830 -4.475 -12.282 116 H ASP 39 H ASP 39 0.168 -6.395 -11.007 117 HA ASP 39 HA ASP 39 -1.686 -7.286 -9.085 118 1HB ASP 39 1HB ASP 39 0.996 -8.456 -9.926 119 2HB ASP 39 2HB ASP 39 -0.358 -9.337 -9.202 120 H LEU 40 H LEU 40 0.937 -5.249 -8.531 121 HA LEU 40 HA LEU 40 2.070 -4.538 -6.753 122 1HB LEU 40 1HB LEU 40 0.258 -6.228 -5.020 123 2HB LEU 40 2HB LEU 40 1.192 -4.823 -4.539 124 HG LEU 40 HG LEU 40 -0.886 -4.542 -6.747 125 1HD1 LEU 40 1HD1 LEU 40 -2.000 -5.704 -4.901 126 2HD1 LEU 40 2HD1 LEU 40 -1.461 -4.442 -3.770 127 3HD1 LEU 40 3HD1 LEU 40 -2.581 -4.055 -5.097 128 1HD2 LEU 40 1HD2 LEU 40 -0.917 -2.270 -6.134 129 2HD2 LEU 40 2HD2 LEU 40 0.036 -2.565 -4.664 130 3HD2 LEU 40 3HD2 LEU 40 0.778 -2.721 -6.269 131 H THR 41 H THR 41 2.708 -7.095 -8.161 132 HA THR 41 HA THR 41 4.163 -8.810 -6.385 133 HB THR 41 HB THR 41 4.978 -9.548 -8.768 134 HG1 THR 41 1HG THR 41 4.492 -7.682 -9.904 135 1HG2 THR 41 1HG2 THR 41 3.210 -10.763 -7.602 136 2HG2 THR 41 2HG2 THR 41 2.012 -9.529 -8.032 137 3HG2 THR 41 3HG2 THR 41 2.740 -10.536 -9.299 138 H GLY 42 H GLY 42 4.812 -5.629 -7.588 139 1HA GLY 42 1HA GLY 42 6.597 -4.428 -6.833 140 2HA GLY 42 2HA GLY 42 7.571 -5.884 -6.589 141 H ALA 43 H ALA 43 6.797 -3.330 -8.798 142 HA ALA 43 HA ALA 43 8.401 -4.589 -10.992 143 1HB ALA 43 1HB ALA 43 7.485 -2.747 -12.376 144 2HB ALA 43 2HB ALA 43 6.248 -3.841 -11.726 145 3HB ALA 43 3HB ALA 43 6.469 -2.239 -11.010 146 H SER 44 H SER 44 7.976 -1.201 -9.937 147 HA SER 44 HA SER 44 10.909 -0.756 -10.022 148 1HB SER 44 1HB SER 44 8.639 1.239 -9.725 149 2HB SER 44 2HB SER 44 10.333 1.583 -10.099 150 HG SER 44 HG SER 44 9.967 0.227 -12.023 151 H ALA 45 H ALA 45 8.842 -1.910 -7.785 152 HA ALA 45 HA ALA 45 10.180 -0.773 -5.423 153 1HB ALA 45 1HB ALA 45 7.973 -0.320 -4.405 154 2HB ALA 45 2HB ALA 45 8.149 0.641 -5.879 155 3HB ALA 45 3HB ALA 45 7.162 -0.823 -5.899 156 HA PRO 46 HA PRO 46 9.899 -5.099 -4.527 157 1HB PRO 46 1HB PRO 46 9.403 -5.281 -1.814 158 2HB PRO 46 2HB PRO 46 10.962 -4.741 -2.502 159 1HG PRO 46 1HG PRO 46 8.651 -3.018 -1.592 160 2HG PRO 46 2HG PRO 46 10.370 -2.877 -1.108 161 1HD PRO 46 1HD PRO 46 9.356 -1.332 -3.074 162 2HD PRO 46 2HD PRO 46 10.967 -2.068 -3.306 163 H ALA 47 H ALA 47 8.468 -6.848 -3.744 164 HA ALA 47 HA ALA 47 5.791 -6.518 -4.680 165 1HB ALA 47 1HB ALA 47 5.525 -8.849 -4.022 166 2HB ALA 47 2HB ALA 47 7.142 -8.667 -4.734 167 3HB ALA 47 3HB ALA 47 6.960 -8.773 -2.979 168 H ILE 48 H ILE 48 4.086 -5.690 -3.567 169 HA ILE 48 HA ILE 48 4.121 -5.960 -0.602 170 HB ILE 48 HB ILE 48 3.131 -3.838 -0.197 171 1HG1 ILE 48 1HG1 ILE 48 3.278 -2.034 -1.945 172 2HG1 ILE 48 2HG1 ILE 48 3.338 -3.307 -3.161 173 1HG2 ILE 48 1HG2 ILE 48 5.587 -4.140 -0.190 174 2HG2 ILE 48 2HG2 ILE 48 5.641 -3.579 -1.873 175 3HG2 ILE 48 3HG2 ILE 48 5.102 -2.486 -0.592 176 1HD1 ILE 48 1HD1 ILE 48 1.061 -2.273 -2.704 177 2HD1 ILE 48 2HD1 ILE 48 1.041 -4.022 -2.403 178 3HD1 ILE 48 3HD1 ILE 48 1.144 -2.877 -1.049 179 H ASP 49 H ASP 49 2.651 -7.083 -3.320 180 HA ASP 49 HA ASP 49 -0.027 -7.343 -2.573 181 1HB ASP 49 1HB ASP 49 -0.035 -9.368 -3.793 182 2HB ASP 49 2HB ASP 49 1.149 -8.350 -4.610 183 H LYS 50 H LYS 50 2.826 -8.991 -1.294 184 HA LYS 50 HA LYS 50 1.237 -10.350 0.811 185 1HB LYS 50 1HB LYS 50 4.098 -10.694 -0.150 186 2HB LYS 50 2HB LYS 50 3.450 -11.572 1.242 187 1HG LYS 50 1HG LYS 50 2.184 -11.651 -1.495 188 2HG LYS 50 2HG LYS 50 3.414 -12.802 -0.981 189 1HD LYS 50 1HD LYS 50 1.962 -13.775 0.680 190 2HD LYS 50 2HD LYS 50 0.858 -12.415 0.668 191 1HE LYS 50 1HE LYS 50 -0.227 -14.181 -0.493 192 2HE LYS 50 2HE LYS 50 0.146 -12.880 -1.630 193 1HZ LYS 50 1HZ LYS 50 2.024 -14.147 -2.379 194 2HZ LYS 50 2HZ LYS 50 1.696 -15.358 -1.293 195 3HZ LYS 50 3HZ LYS 50 0.645 -15.034 -2.520 196 H ALA 51 H ALA 51 2.362 -7.348 0.670 197 HA ALA 51 HA ALA 51 3.918 -7.019 3.032 198 1HB ALA 51 1HB ALA 51 3.593 -5.257 1.450 199 2HB ALA 51 2HB ALA 51 1.834 -5.270 1.723 200 3HB ALA 51 3HB ALA 51 2.904 -4.724 3.008 201 H GLY 52 H GLY 52 0.345 -7.512 2.557 202 1HA GLY 52 1HA GLY 52 -0.363 -7.039 5.250 203 2HA GLY 52 2HA GLY 52 -1.214 -8.100 4.103 204 H ALA 53 H ALA 53 1.188 -9.869 3.750 205 HA ALA 53 HA ALA 53 0.753 -11.585 6.098 206 1HB ALA 53 1HB ALA 53 0.922 -12.557 3.810 207 2HB ALA 53 2HB ALA 53 2.597 -11.979 3.705 208 3HB ALA 53 3HB ALA 53 2.149 -13.179 4.926 209 H ASN 54 H ASN 54 3.418 -9.757 4.583 210 HA ASN 54 HA ASN 54 5.384 -10.628 6.522 211 1HB ASN 54 1HB ASN 54 5.437 -8.333 4.518 212 2HB ASN 54 2HB ASN 54 6.828 -8.910 5.444 213 1HD2 ASN 54 1HD2 ASN 54 6.021 -8.923 2.411 214 2HD2 ASN 54 2HD2 ASN 54 6.428 -10.567 1.955 215 H TYR 55 H TYR 55 3.460 -7.694 6.140 216 HA TYR 55 HA TYR 55 4.503 -6.507 8.684 217 1HB TYR 55 1HB TYR 55 3.311 -4.902 6.440 218 2HB TYR 55 2HB TYR 55 4.367 -4.383 7.750 219 HD1 TYR 55 1HD TYR 55 4.436 -4.136 4.515 220 HD2 TYR 55 2HD TYR 55 6.678 -6.240 7.526 221 HE1 TYR 55 1HE TYR 55 6.241 -4.563 2.866 222 HE2 TYR 55 2HE TYR 55 8.493 -6.645 5.884 223 HH TYR 55 HH TYR 55 8.794 -5.158 2.895 224 H SER 56 H SER 56 2.572 -4.740 9.255 225 HA SER 56 HA SER 56 -0.057 -6.138 8.924 226 1HB SER 56 1HB SER 56 0.891 -6.602 11.180 227 2HB SER 56 2HB SER 56 0.902 -4.858 11.503 228 HG SER 56 HG SER 56 -1.174 -4.930 11.795 229 H GLU 57 H GLU 57 -1.840 -4.547 9.703 230 HA GLU 57 HA GLU 57 -1.873 -2.622 7.622 231 1HB GLU 57 1HB GLU 57 -3.982 -1.798 8.591 232 2HB GLU 57 2HB GLU 57 -3.985 -3.524 8.300 233 1HG GLU 57 1HG GLU 57 -3.763 -3.980 10.685 234 2HG GLU 57 2HG GLU 57 -3.502 -2.262 11.037 235 H GLU 58 H GLU 58 -1.220 -2.204 11.146 236 HA GLU 58 HA GLU 58 -1.019 0.594 11.154 237 1HB GLU 58 1HB GLU 58 0.535 0.281 13.065 238 2HB GLU 58 2HB GLU 58 -1.024 -0.524 13.228 239 1HG GLU 58 1HG GLU 58 1.362 -2.150 12.281 240 2HG GLU 58 2HG GLU 58 1.200 -1.698 13.967 241 H GLU 59 H GLU 59 1.505 -1.799 10.287 242 HA GLU 59 HA GLU 59 3.592 0.143 9.951 243 1HB GLU 59 1HB GLU 59 3.325 -2.627 8.700 244 2HB GLU 59 2HB GLU 59 4.804 -1.694 8.900 245 1HG GLU 59 1HG GLU 59 3.947 -1.736 11.499 246 2HG GLU 59 2HG GLU 59 3.247 -3.259 10.926 247 H ILE 60 H ILE 60 1.387 -1.530 7.698 248 HA ILE 60 HA ILE 60 2.501 -0.402 5.311 249 HB ILE 60 HB ILE 60 -0.269 -1.478 5.881 250 1HG1 ILE 60 1HG1 ILE 60 2.067 -2.853 4.499 251 2HG1 ILE 60 2HG1 ILE 60 1.746 -3.012 6.227 252 1HG2 ILE 60 1HG2 ILE 60 -0.668 -0.391 3.922 253 2HG2 ILE 60 2HG2 ILE 60 1.004 -0.519 3.333 254 3HG2 ILE 60 3HG2 ILE 60 -0.081 -1.915 3.258 255 1HD1 ILE 60 1HD1 ILE 60 -0.615 -3.810 5.592 256 2HD1 ILE 60 2HD1 ILE 60 0.084 -4.067 3.972 257 3HD1 ILE 60 3HD1 ILE 60 0.761 -4.901 5.373 258 H LEU 61 H LEU 61 -0.245 0.565 7.367 259 HA LEU 61 HA LEU 61 -1.112 2.885 6.077 260 1HB LEU 61 1HB LEU 61 -2.083 1.783 8.166 261 2HB LEU 61 2HB LEU 61 -0.784 2.485 9.092 262 HG LEU 61 HG LEU 61 -1.542 4.779 8.224 263 1HD1 LEU 61 1HD1 LEU 61 -4.002 3.140 7.537 264 2HD1 LEU 61 2HD1 LEU 61 -3.912 4.918 7.518 265 3HD1 LEU 61 3HD1 LEU 61 -2.966 3.967 6.363 266 1HD2 LEU 61 1HD2 LEU 61 -3.404 3.159 10.002 267 2HD2 LEU 61 2HD2 LEU 61 -1.946 4.036 10.521 268 3HD2 LEU 61 3HD2 LEU 61 -3.346 4.933 9.903 269 H ASP 62 H ASP 62 1.385 2.507 8.645 270 HA ASP 62 HA ASP 62 2.093 5.219 8.760 271 1HB ASP 62 1HB ASP 62 2.825 3.449 10.388 272 2HB ASP 62 2HB ASP 62 3.999 2.881 9.191 273 H ILE 63 H ILE 63 3.347 2.589 6.690 274 HA ILE 63 HA ILE 63 5.363 4.228 5.440 275 HB ILE 63 HB ILE 63 4.066 1.570 4.807 276 1HG1 ILE 63 1HG1 ILE 63 6.605 1.072 4.318 277 2HG1 ILE 63 2HG1 ILE 63 6.911 2.595 5.146 278 1HG2 ILE 63 1HG2 ILE 63 3.849 2.420 2.637 279 2HG2 ILE 63 2HG2 ILE 63 5.442 3.255 2.695 280 3HG2 ILE 63 3HG2 ILE 63 5.343 1.510 2.632 281 1HD1 ILE 63 1HD1 ILE 63 7.069 0.609 6.621 282 2HD1 ILE 63 2HD1 ILE 63 5.747 1.667 7.152 283 3HD1 ILE 63 3HD1 ILE 63 5.397 0.175 6.236 284 H ILE 64 H ILE 64 1.961 3.541 4.481 285 HA ILE 64 HA ILE 64 2.105 4.952 2.015 286 HB ILE 64 HB ILE 64 -0.201 4.433 3.922 287 1HG1 ILE 64 1HG1 ILE 64 0.283 3.087 1.257 288 2HG1 ILE 64 2HG1 ILE 64 1.210 2.538 2.653 289 1HG2 ILE 64 1HG2 ILE 64 -0.895 6.280 2.522 290 2HG2 ILE 64 2HG2 ILE 64 -0.258 5.490 1.065 291 3HG2 ILE 64 3HG2 ILE 64 -1.670 4.821 1.909 292 1HD1 ILE 64 1HD1 ILE 64 -0.805 1.223 2.446 293 2HD1 ILE 64 2HD1 ILE 64 -0.865 2.159 3.939 294 3HD1 ILE 64 3HD1 ILE 64 -1.810 2.686 2.546 295 H LEU 65 H LEU 65 1.158 6.059 5.266 296 HA LEU 65 HA LEU 65 0.642 8.779 4.487 297 1HB LEU 65 1HB LEU 65 1.341 7.488 7.143 298 2HB LEU 65 2HB LEU 65 0.817 9.167 6.965 299 HG LEU 65 HG LEU 65 -0.939 6.797 6.103 300 1HD1 LEU 65 1HD1 LEU 65 -0.425 6.767 8.568 301 2HD1 LEU 65 2HD1 LEU 65 -0.991 8.442 8.681 302 3HD1 LEU 65 3HD1 LEU 65 -2.124 7.154 8.223 303 1HD2 LEU 65 1HD2 LEU 65 -2.710 8.508 6.265 304 2HD2 LEU 65 2HD2 LEU 65 -1.489 9.757 6.581 305 3HD2 LEU 65 3HD2 LEU 65 -1.496 8.898 5.026 306 H ASN 66 H ASN 66 3.545 7.131 5.701 307 HA ASN 66 HA ASN 66 5.020 9.639 6.132 308 1HB ASN 66 1HB ASN 66 5.684 6.686 6.535 309 2HB ASN 66 2HB ASN 66 6.889 7.914 6.669 310 1HD2 ASN 66 1HD2 ASN 66 3.706 7.060 7.929 311 2HD2 ASN 66 2HD2 ASN 66 4.128 7.292 9.589 312 H GLY 67 H GLY 67 5.474 6.673 4.203 313 1HA GLY 67 1HA GLY 67 6.375 6.912 1.866 314 2HA GLY 67 2HA GLY 67 7.633 7.934 2.601 315 H GLN 68 H GLN 68 9.109 6.336 1.846 316 HA GLN 68 HA GLN 68 9.958 4.432 3.824 317 1HB GLN 68 1HB GLN 68 8.747 2.534 2.734 318 2HB GLN 68 2HB GLN 68 8.614 3.481 1.304 319 1HG GLN 68 1HG GLN 68 9.843 1.700 0.947 320 2HG GLN 68 2HG GLN 68 11.009 2.978 0.772 321 1HE2 GLN 68 1HE2 GLN 68 9.803 0.351 2.952 322 2HE2 GLN 68 2HE2 GLN 68 11.301 0.142 3.808 323 H GLY 69 H GLY 69 12.314 3.850 3.008 324 1HA GLY 69 1HA GLY 69 13.868 5.994 2.540 325 2HA GLY 69 2HA GLY 69 14.273 4.372 1.965 326 H GLY 70 H GLY 70 12.754 3.876 -0.176 327 1HA GLY 70 1HA GLY 70 13.454 6.022 -2.140 328 2HA GLY 70 2HA GLY 70 13.258 4.302 -2.459 329 H MET 71 H MET 71 10.885 6.097 -0.484 330 HA MET 71 HA MET 71 8.948 6.039 -2.762 331 1HB MET 71 1HB MET 71 8.798 4.007 -1.303 332 2HB MET 71 2HB MET 71 8.539 5.109 0.055 333 1HG MET 71 1HG MET 71 6.463 5.873 -0.791 334 2HG MET 71 2HG MET 71 6.629 4.954 -2.282 335 1HE MET 71 1HE MET 71 4.002 4.754 -0.800 336 2HE MET 71 2HE MET 71 3.842 3.634 0.563 337 3HE MET 71 3HE MET 71 4.693 5.175 0.788 338 HA PRO 72 HA PRO 72 8.684 10.179 -1.262 339 1HB PRO 72 1HB PRO 72 6.395 11.114 -2.504 340 2HB PRO 72 2HB PRO 72 7.955 10.831 -3.329 341 1HG PRO 72 1HG PRO 72 5.573 8.980 -3.191 342 2HG PRO 72 2HG PRO 72 6.531 9.424 -4.630 343 1HD PRO 72 1HD PRO 72 6.992 7.107 -3.317 344 2HD PRO 72 2HD PRO 72 8.367 8.073 -3.937 345 H GLY 73 H GLY 73 5.631 8.360 -1.001 346 1HA GLY 73 1HA GLY 73 4.387 7.992 0.937 347 2HA GLY 73 2HA GLY 73 5.387 9.167 1.807 348 H GLY 74 H GLY 74 2.707 9.110 2.153 349 1HA GLY 74 1HA GLY 74 0.942 10.574 2.359 350 2HA GLY 74 2HA GLY 74 1.936 11.852 1.635 351 H ILE 75 H ILE 75 1.633 8.890 -0.099 352 HA ILE 75 HA ILE 75 0.468 9.998 -2.460 353 HB ILE 75 HB ILE 75 1.005 7.216 -1.369 354 1HG1 ILE 75 1HG1 ILE 75 2.382 8.297 -3.801 355 2HG1 ILE 75 2HG1 ILE 75 2.802 9.090 -2.281 356 1HG2 ILE 75 1HG2 ILE 75 0.697 6.353 -3.682 357 2HG2 ILE 75 2HG2 ILE 75 -0.806 6.877 -2.917 358 3HG2 ILE 75 3HG2 ILE 75 -0.029 7.906 -4.143 359 1HD1 ILE 75 1HD1 ILE 75 3.538 7.069 -1.271 360 2HD1 ILE 75 2HD1 ILE 75 2.836 6.083 -2.562 361 3HD1 ILE 75 3HD1 ILE 75 4.253 7.090 -2.898 362 H ALA 76 H ALA 76 -0.822 8.385 0.423 363 HA ALA 76 HA ALA 76 -3.524 9.177 -0.320 364 1HB ALA 76 1HB ALA 76 -3.581 6.858 -1.035 365 2HB ALA 76 2HB ALA 76 -2.645 6.333 0.377 366 3HB ALA 76 3HB ALA 76 -4.304 6.891 0.592 367 H LYS 77 H LYS 77 -4.704 9.747 1.626 368 HA LYS 77 HA LYS 77 -3.490 9.141 4.163 369 1HB LYS 77 1HB LYS 77 -3.591 11.619 4.768 370 2HB LYS 77 2HB LYS 77 -2.198 10.991 3.893 371 1HG LYS 77 1HG LYS 77 -4.058 11.956 1.916 372 2HG LYS 77 2HG LYS 77 -4.023 13.158 3.181 373 1HD LYS 77 1HD LYS 77 -1.579 11.918 1.822 374 2HD LYS 77 2HD LYS 77 -2.281 13.446 1.323 375 1HE LYS 77 1HE LYS 77 -1.029 12.884 4.075 376 2HE LYS 77 2HE LYS 77 -0.243 13.712 2.733 377 1HZ LYS 77 1HZ LYS 77 -1.141 15.249 4.307 378 2HZ LYS 77 2HZ LYS 77 -1.919 15.419 2.870 379 3HZ LYS 77 3HZ LYS 77 -2.660 14.650 4.126 380 H GLY 78 H GLY 78 -4.732 9.949 6.003 381 1HA GLY 78 1HA GLY 78 -6.667 9.767 7.181 382 2HA GLY 78 2HA GLY 78 -7.463 10.641 5.858 383 H ALA 79 H ALA 79 -9.302 9.389 5.803 384 HA ALA 79 HA ALA 79 -9.878 6.789 5.854 385 1HB ALA 79 1HB ALA 79 -11.674 7.212 4.233 386 2HB ALA 79 2HB ALA 79 -11.519 8.536 5.402 387 3HB ALA 79 3HB ALA 79 -10.891 8.731 3.747 388 H GLU 80 H GLU 80 -8.191 8.351 3.119 389 HA GLU 80 HA GLU 80 -8.404 6.187 1.284 390 1HB GLU 80 1HB GLU 80 -7.733 8.690 0.931 391 2HB GLU 80 2HB GLU 80 -6.108 8.167 1.368 392 1HG GLU 80 1HG GLU 80 -6.200 6.504 -0.511 393 2HG GLU 80 2HG GLU 80 -7.820 7.066 -0.893 394 H ALA 81 H ALA 81 -5.686 7.118 3.553 395 HA ALA 81 HA ALA 81 -4.134 4.780 2.873 396 1HB ALA 81 1HB ALA 81 -3.125 6.873 3.687 397 2HB ALA 81 2HB ALA 81 -3.945 6.666 5.255 398 3HB ALA 81 3HB ALA 81 -2.708 5.505 4.716 399 H GLU 82 H GLU 82 -6.393 5.690 5.508 400 HA GLU 82 HA GLU 82 -6.131 3.440 7.195 401 1HB GLU 82 1HB GLU 82 -8.563 5.090 6.469 402 2HB GLU 82 2HB GLU 82 -8.489 3.976 7.831 403 1HG GLU 82 1HG GLU 82 -6.914 5.291 9.009 404 2HG GLU 82 2HG GLU 82 -6.446 6.223 7.589 405 H ALA 83 H ALA 83 -8.337 3.922 4.403 406 HA ALA 83 HA ALA 83 -9.418 1.318 4.364 407 1HB ALA 83 1HB ALA 83 -8.997 3.216 2.016 408 2HB ALA 83 2HB ALA 83 -10.130 1.851 2.095 409 3HB ALA 83 3HB ALA 83 -10.367 3.243 3.149 410 H VAL 84 H VAL 84 -6.571 2.653 2.510 411 HA VAL 84 HA VAL 84 -5.854 0.269 1.208 412 HB VAL 84 HB VAL 84 -3.927 2.279 2.405 413 1HG1 VAL 84 1HG1 VAL 84 -2.337 1.182 0.732 414 2HG1 VAL 84 2HG1 VAL 84 -2.757 0.127 2.069 415 3HG1 VAL 84 3HG1 VAL 84 -3.541 -0.084 0.497 416 1HG2 VAL 84 1HG2 VAL 84 -3.517 2.912 0.045 417 2HG2 VAL 84 2HG2 VAL 84 -4.904 1.914 -0.443 418 3HG2 VAL 84 3HG2 VAL 84 -5.158 3.337 0.583 419 H ALA 85 H ALA 85 -4.649 1.334 4.436 420 HA ALA 85 HA ALA 85 -2.910 -0.757 4.939 421 1HB ALA 85 1HB ALA 85 -3.186 -0.153 7.287 422 2HB ALA 85 2HB ALA 85 -3.156 1.285 6.249 423 3HB ALA 85 3HB ALA 85 -4.693 0.710 6.935 424 H ALA 86 H ALA 86 -6.344 -0.662 6.046 425 HA ALA 86 HA ALA 86 -6.401 -3.270 7.161 426 1HB ALA 86 1HB ALA 86 -8.135 -1.598 7.583 427 2HB ALA 86 2HB ALA 86 -8.637 -1.634 5.879 428 3HB ALA 86 3HB ALA 86 -8.863 -3.068 6.906 429 H TRP 87 H TRP 87 -7.396 -2.155 3.889 430 HA TRP 87 HA TRP 87 -8.147 -4.688 2.841 431 1HB TRP 87 1HB TRP 87 -8.791 -2.612 1.828 432 2HB TRP 87 2HB TRP 87 -7.085 -2.143 1.673 433 HD1 TRP 87 HD TRP 87 -9.615 -4.408 -0.144 434 HE1 TRP 87 1HE TRP 87 -8.511 -5.312 -2.254 435 HE3 TRP 87 3HE TRP 87 -5.128 -1.958 0.193 436 HZ2 TRP 87 2HZ TRP 87 -5.058 -5.039 -2.576 437 HZ3 TRP 87 3HZ TRP 87 -3.780 -1.816 -1.874 438 HH2 TRP 87 HH TRP 87 -4.211 -3.231 -3.778 439 H LEU 88 H LEU 88 -4.983 -3.080 3.055 440 HA LEU 88 HA LEU 88 -3.687 -4.919 1.307 441 1HB LEU 88 1HB LEU 88 -2.990 -2.454 2.207 442 2HB LEU 88 2HB LEU 88 -1.953 -3.457 3.183 443 HG LEU 88 HG LEU 88 -1.098 -2.605 1.016 444 1HD1 LEU 88 1HD1 LEU 88 0.276 -4.324 0.630 445 2HD1 LEU 88 2HD1 LEU 88 -0.489 -5.071 2.056 446 3HD1 LEU 88 3HD1 LEU 88 -1.021 -5.519 0.423 447 1HD2 LEU 88 1HD2 LEU 88 -1.537 -3.323 -1.100 448 2HD2 LEU 88 2HD2 LEU 88 -2.982 -4.196 -0.548 449 3HD2 LEU 88 3HD2 LEU 88 -2.789 -2.439 -0.214 450 H ALA 89 H ALA 89 -3.925 -4.566 4.845 451 HA ALA 89 HA ALA 89 -2.500 -6.916 5.608 452 1HB ALA 89 1HB ALA 89 -4.900 -5.608 6.917 453 2HB ALA 89 2HB ALA 89 -3.870 -6.862 7.634 454 3HB ALA 89 3HB ALA 89 -3.176 -5.285 7.223 455 H GLU 90 H GLU 90 -5.832 -6.451 4.412 456 HA GLU 90 HA GLU 90 -6.539 -9.221 4.695 457 1HB GLU 90 1HB GLU 90 -8.022 -7.252 4.741 458 2HB GLU 90 2HB GLU 90 -7.801 -7.033 3.016 459 1HG GLU 90 1HG GLU 90 -8.622 -9.802 3.648 460 2HG GLU 90 2HG GLU 90 -9.744 -8.610 4.309 461 H LYS 91 H LYS 91 -4.590 -7.621 2.338 462 HA LYS 91 HA LYS 91 -5.263 -8.998 0.002 463 1HB LYS 91 1HB LYS 91 -3.936 -6.809 0.630 464 2HB LYS 91 2HB LYS 91 -2.515 -7.798 0.349 465 1HG LYS 91 1HG LYS 91 -4.813 -7.066 -1.537 466 2HG LYS 91 2HG LYS 91 -3.203 -6.343 -1.490 467 1HD LYS 91 1HD LYS 91 -3.025 -7.704 -3.310 468 2HD LYS 91 2HD LYS 91 -2.263 -8.671 -2.037 469 1HE LYS 91 1HE LYS 91 -4.372 -9.986 -1.772 470 2HE LYS 91 2HE LYS 91 -5.190 -8.924 -2.905 471 1HZ LYS 91 1HZ LYS 91 -3.618 -9.663 -4.606 472 2HZ LYS 91 2HZ LYS 91 -2.931 -10.701 -3.525 473 3HZ LYS 91 3HZ LYS 91 -4.499 -10.913 -3.994 474 H LYS 92 H LYS 92 -4.309 -10.819 2.377 475 HA LYS 92 HA LYS 92 -1.469 -11.271 1.579 476 1HB LYS 92 1HB LYS 92 -1.056 -11.404 3.768 477 2HB LYS 92 2HB LYS 92 -2.201 -10.063 3.436 478 1HG LYS 92 1HG LYS 92 -4.039 -11.328 4.397 479 2HG LYS 92 2HG LYS 92 -3.055 -12.804 4.507 480 1HD LYS 92 1HD LYS 92 -1.693 -11.917 6.277 481 2HD LYS 92 2HD LYS 92 -2.310 -10.292 6.030 482 1HE LYS 92 1HE LYS 92 -3.330 -11.280 8.022 483 2HE LYS 92 2HE LYS 92 -4.534 -10.883 6.790 484 1HZ LYS 92 1HZ LYS 92 -4.936 -13.039 7.716 485 2HZ LYS 92 2HZ LYS 92 -4.544 -13.181 6.123 486 3HZ LYS 92 3HZ LYS 92 -3.436 -13.569 7.278 487 HHA HEC 93 HHA HEC 93 8.706 -0.028 0.408 488 HHB HEC 93 HHB HEC 93 2.237 -0.014 0.744 489 HHC HEC 93 HHC HEC 93 2.246 4.286 -4.025 490 HHD HEC 93 HHD HEC 93 8.494 3.260 -4.998 491 1HMA HEC 93 1HMA HEC 93 4.110 -2.502 2.243 492 2HMA HEC 93 2HMA HEC 93 4.601 -1.330 3.485 493 3HMA HEC 93 3HMA HEC 93 3.106 -1.077 2.586 494 1HAA HEC 93 1HAA HEC 93 6.905 -1.921 3.005 495 2HAA HEC 93 2HAA HEC 93 8.028 -0.671 2.575 496 1HBA HEC 93 1HBA HEC 93 8.085 -1.967 0.318 497 2HBA HEC 93 2HBA HEC 93 7.429 -3.325 1.232 498 1HMB HEC 93 1HMB HEC 93 0.162 -0.169 -0.995 499 2HMB HEC 93 2HMB HEC 93 0.136 0.771 0.505 500 3HMB HEC 93 3HMB HEC 93 -0.851 1.264 -0.873 501 HAB HEC 93 HAB HEC 93 0.283 3.977 -3.442 502 1HBB HEC 93 1HBB HEC 93 -1.229 3.367 -0.881 503 2HBB HEC 93 2HBB HEC 93 -0.396 4.863 -1.302 504 3HBB HEC 93 3HBB HEC 93 -1.796 4.333 -2.251 505 1HMC HEC 93 1HMC HEC 93 4.153 5.778 -6.915 506 2HMC HEC 93 2HMC HEC 93 2.982 4.526 -6.537 507 3HMC HEC 93 3HMC HEC 93 3.092 5.977 -5.515 508 HAC HEC 93 HAC HEC 93 7.817 4.440 -6.574 509 1HBC HEC 93 1HBC HEC 93 7.533 6.625 -7.551 510 2HBC HEC 93 2HBC HEC 93 5.998 6.860 -6.696 511 3HBC HEC 93 3HBC HEC 93 7.500 6.678 -5.782 512 1HMD HEC 93 1HMD HEC 93 11.195 0.841 -4.105 513 2HMD HEC 93 2HMD HEC 93 10.122 1.795 -5.121 514 3HMD HEC 93 3HMD HEC 93 11.240 2.613 -3.998 515 1HAD HEC 93 1HAD HEC 93 10.895 -0.613 -1.446 516 2HAD HEC 93 2HAD HEC 93 10.727 0.301 -0.116 517 1HBD HEC 93 1HBD HEC 93 12.649 1.288 -0.358 518 2HBD HEC 93 2HBD HEC 93 11.869 2.289 -1.568 Start of MODEL 9 1 1H VAL 22 1H VAL 22 -14.494 4.269 -0.118 2 2H VAL 22 2H VAL 22 -13.411 4.350 1.124 3 3H VAL 22 3H VAL 22 -14.186 5.739 0.601 4 HA VAL 22 HA VAL 22 -13.174 5.420 -1.553 5 HB VAL 22 HB VAL 22 -11.010 5.467 0.599 6 1HG1 VAL 22 1HG1 VAL 22 -11.240 6.685 -2.198 7 2HG1 VAL 22 2HG1 VAL 22 -9.884 6.906 -1.084 8 3HG1 VAL 22 3HG1 VAL 22 -10.228 5.300 -1.746 9 1HG2 VAL 22 1HG2 VAL 22 -12.763 7.753 -0.412 10 2HG2 VAL 22 2HG2 VAL 22 -12.687 7.135 1.258 11 3HG2 VAL 22 3HG2 VAL 22 -11.286 7.942 0.553 12 H ASP 23 H ASP 23 -12.999 3.704 -2.746 13 HA ASP 23 HA ASP 23 -12.892 1.147 -1.850 14 1HB ASP 23 1HB ASP 23 -12.368 2.219 -4.647 15 2HB ASP 23 2HB ASP 23 -12.919 0.585 -4.248 16 H ALA 24 H ALA 24 -11.170 0.499 -0.721 17 HA ALA 24 HA ALA 24 -8.657 1.369 -0.714 18 1HB ALA 24 1HB ALA 24 -9.673 -0.222 0.931 19 2HB ALA 24 2HB ALA 24 -9.399 -1.525 -0.233 20 3HB ALA 24 3HB ALA 24 -8.015 -0.604 0.431 21 H GLU 25 H GLU 25 -9.646 -1.551 -2.611 22 HA GLU 25 HA GLU 25 -7.040 -1.892 -3.680 23 1HB GLU 25 1HB GLU 25 -7.840 -3.581 -4.992 24 2HB GLU 25 2HB GLU 25 -9.011 -3.569 -3.669 25 1HG GLU 25 1HG GLU 25 -10.570 -2.290 -5.068 26 2HG GLU 25 2HG GLU 25 -9.387 -2.350 -6.433 27 H ALA 26 H ALA 26 -9.844 0.025 -4.841 28 HA ALA 26 HA ALA 26 -8.790 0.687 -7.383 29 1HB ALA 26 1HB ALA 26 -11.161 1.103 -6.581 30 2HB ALA 26 2HB ALA 26 -10.513 2.542 -5.740 31 3HB ALA 26 3HB ALA 26 -10.387 2.417 -7.494 32 H VAL 27 H VAL 27 -8.382 2.242 -4.176 33 HA VAL 27 HA VAL 27 -6.598 4.382 -4.982 34 HB VAL 27 HB VAL 27 -6.378 2.682 -2.452 35 1HG1 VAL 27 1HG1 VAL 27 -5.197 4.596 -1.544 36 2HG1 VAL 27 2HG1 VAL 27 -4.352 4.023 -2.975 37 3HG1 VAL 27 3HG1 VAL 27 -5.365 5.480 -3.074 38 1HG2 VAL 27 1HG2 VAL 27 -8.619 3.675 -2.556 39 2HG2 VAL 27 2HG2 VAL 27 -7.628 4.501 -1.351 40 3HG2 VAL 27 3HG2 VAL 27 -7.915 5.261 -2.937 41 H VAL 28 H VAL 28 -5.682 0.917 -3.960 42 HA VAL 28 HA VAL 28 -3.058 1.806 -4.527 43 HB VAL 28 HB VAL 28 -4.352 -0.823 -3.922 44 1HG1 VAL 28 1HG1 VAL 28 -1.560 -0.346 -4.586 45 2HG1 VAL 28 2HG1 VAL 28 -1.740 -1.207 -3.059 46 3HG1 VAL 28 3HG1 VAL 28 -2.475 -1.833 -4.544 47 1HG2 VAL 28 1HG2 VAL 28 -3.014 -0.123 -1.641 48 2HG2 VAL 28 2HG2 VAL 28 -3.199 1.470 -2.328 49 3HG2 VAL 28 3HG2 VAL 28 -4.629 0.458 -2.040 50 H GLN 29 H GLN 29 -5.300 -0.060 -6.321 51 HA GLN 29 HA GLN 29 -3.913 -0.671 -8.707 52 1HB GLN 29 1HB GLN 29 -6.852 -0.280 -8.022 53 2HB GLN 29 2HB GLN 29 -6.340 -0.854 -9.576 54 1HG GLN 29 1HG GLN 29 -5.716 -2.263 -6.959 55 2HG GLN 29 2HG GLN 29 -6.961 -2.716 -8.128 56 1HE2 GLN 29 1HE2 GLN 29 -4.139 -3.854 -7.114 57 2HE2 GLN 29 2HE2 GLN 29 -3.348 -4.269 -8.632 58 H GLN 30 H GLN 30 -4.543 2.452 -7.560 59 HA GLN 30 HA GLN 30 -3.782 3.342 -10.311 60 1HB GLN 30 1HB GLN 30 -6.165 4.082 -9.072 61 2HB GLN 30 2HB GLN 30 -5.084 5.411 -8.642 62 1HG GLN 30 1HG GLN 30 -4.394 5.470 -11.129 63 2HG GLN 30 2HG GLN 30 -5.751 4.371 -11.431 64 1HE2 GLN 30 1HE2 GLN 30 -7.776 5.393 -9.814 65 2HE2 GLN 30 2HE2 GLN 30 -8.134 7.035 -10.329 66 H LYS 31 H LYS 31 -3.280 3.736 -6.834 67 HA LYS 31 HA LYS 31 -1.607 6.095 -7.205 68 1HB LYS 31 1HB LYS 31 -3.430 5.108 -5.212 69 2HB LYS 31 2HB LYS 31 -1.883 5.115 -4.464 70 1HG LYS 31 1HG LYS 31 -2.666 7.206 -3.972 71 2HG LYS 31 2HG LYS 31 -1.786 7.616 -5.459 72 1HD LYS 31 1HD LYS 31 -3.998 7.378 -6.695 73 2HD LYS 31 2HD LYS 31 -4.757 6.971 -5.140 74 1HE LYS 31 1HE LYS 31 -3.653 9.281 -4.354 75 2HE LYS 31 2HE LYS 31 -3.696 9.645 -6.087 76 1HZ LYS 31 1HZ LYS 31 -5.930 8.892 -4.314 77 2HZ LYS 31 2HZ LYS 31 -5.667 10.376 -4.916 78 3HZ LYS 31 3HZ LYS 31 -6.119 9.151 -5.933 79 H CYS 32 H CYS 32 -1.277 2.639 -6.415 80 HA CYS 32 HA CYS 32 1.582 3.072 -5.666 81 1HB CYS 32 1HB CYS 32 0.120 0.557 -5.194 82 2HB CYS 32 2HB CYS 32 1.420 1.211 -4.263 83 H ILE 33 H ILE 33 -0.607 1.082 -7.672 84 HA ILE 33 HA ILE 33 1.260 -0.745 -8.631 85 HB ILE 33 HB ILE 33 -0.084 -0.909 -10.668 86 1HG1 ILE 33 1HG1 ILE 33 -1.971 1.193 -9.577 87 2HG1 ILE 33 2HG1 ILE 33 -0.710 1.607 -10.733 88 1HG2 ILE 33 1HG2 ILE 33 -2.108 -1.758 -9.574 89 2HG2 ILE 33 2HG2 ILE 33 -0.674 -2.149 -8.629 90 3HG2 ILE 33 3HG2 ILE 33 -1.714 -0.842 -8.105 91 1HD1 ILE 33 1HD1 ILE 33 -1.530 -0.043 -12.348 92 2HD1 ILE 33 2HD1 ILE 33 -2.885 -0.433 -11.267 93 3HD1 ILE 33 3HD1 ILE 33 -2.730 1.198 -11.956 94 H SER 34 H SER 34 0.928 2.602 -9.480 95 HA SER 34 HA SER 34 2.362 3.072 -11.732 96 1HB SER 34 1HB SER 34 1.382 4.750 -10.148 97 2HB SER 34 2HB SER 34 2.774 4.505 -9.074 98 HG SER 34 HG SER 34 3.018 6.297 -10.508 99 H CYS 35 H CYS 35 3.794 2.146 -8.549 100 HA CYS 35 HA CYS 35 6.396 1.679 -9.962 101 1HB CYS 35 1HB CYS 35 6.229 2.074 -6.974 102 2HB CYS 35 2HB CYS 35 7.604 2.164 -8.052 103 H HIS 36 H HIS 36 4.074 0.381 -7.527 104 HA HIS 36 HA HIS 36 5.642 -2.017 -7.150 105 1HB HIS 36 1HB HIS 36 2.858 -1.192 -6.317 106 2HB HIS 36 2HB HIS 36 3.571 -2.762 -5.916 107 HD1 HIS 36 1HD HIS 36 5.835 -2.731 -4.354 108 HD2 HIS 36 2HD HIS 36 3.688 0.891 -4.785 109 HE1 HIS 36 1HE HIS 36 6.604 -1.175 -2.496 110 H GLY 37 H GLY 37 3.473 -1.189 -9.710 111 1HA GLY 37 1HA GLY 37 3.161 -2.445 -11.621 112 2HA GLY 37 2HA GLY 37 3.720 -3.921 -10.815 113 H GLY 38 H GLY 38 1.316 -3.637 -12.407 114 1HA GLY 38 1HA GLY 38 -1.082 -3.044 -11.349 115 2HA GLY 38 2HA GLY 38 -0.834 -4.447 -12.386 116 H ASP 39 H ASP 39 0.302 -6.358 -10.994 117 HA ASP 39 HA ASP 39 -1.761 -7.133 -9.107 118 1HB ASP 39 1HB ASP 39 0.787 -8.546 -9.966 119 2HB ASP 39 2HB ASP 39 -0.561 -9.276 -9.079 120 H LEU 40 H LEU 40 0.854 -5.166 -8.599 121 HA LEU 40 HA LEU 40 2.074 -4.479 -6.870 122 1HB LEU 40 1HB LEU 40 0.061 -5.988 -5.171 123 2HB LEU 40 2HB LEU 40 1.165 -4.743 -4.611 124 HG LEU 40 HG LEU 40 -0.433 -3.905 -7.000 125 1HD1 LEU 40 1HD1 LEU 40 -2.503 -3.585 -5.856 126 2HD1 LEU 40 2HD1 LEU 40 -2.111 -5.304 -5.897 127 3HD1 LEU 40 3HD1 LEU 40 -1.884 -4.387 -4.388 128 1HD2 LEU 40 1HD2 LEU 40 -0.485 -1.849 -5.925 129 2HD2 LEU 40 2HD2 LEU 40 -0.157 -2.575 -4.329 130 3HD2 LEU 40 3HD2 LEU 40 1.116 -2.503 -5.562 131 H THR 41 H THR 41 2.619 -7.023 -8.240 132 HA THR 41 HA THR 41 3.984 -8.810 -6.453 133 HB THR 41 HB THR 41 4.638 -9.635 -8.877 134 HG1 THR 41 1HG THR 41 3.099 -8.747 -10.405 135 1HG2 THR 41 1HG2 THR 41 2.922 -10.747 -7.520 136 2HG2 THR 41 2HG2 THR 41 1.734 -9.497 -7.925 137 3HG2 THR 41 3HG2 THR 41 2.340 -10.589 -9.187 138 H GLY 42 H GLY 42 4.784 -5.710 -7.792 139 1HA GLY 42 1HA GLY 42 6.597 -4.635 -6.920 140 2HA GLY 42 2HA GLY 42 7.505 -6.142 -6.727 141 H ALA 43 H ALA 43 6.300 -3.838 -9.149 142 HA ALA 43 HA ALA 43 8.098 -4.844 -11.235 143 1HB ALA 43 1HB ALA 43 5.962 -3.980 -11.891 144 2HB ALA 43 2HB ALA 43 6.276 -2.410 -11.135 145 3HB ALA 43 3HB ALA 43 7.227 -2.924 -12.545 146 H SER 44 H SER 44 7.850 -1.475 -10.073 147 HA SER 44 HA SER 44 10.792 -1.129 -10.342 148 1HB SER 44 1HB SER 44 9.225 0.389 -11.609 149 2HB SER 44 2HB SER 44 8.612 0.966 -10.044 150 HG SER 44 HG SER 44 10.876 1.443 -9.558 151 H ALA 45 H ALA 45 8.801 -2.119 -7.970 152 HA ALA 45 HA ALA 45 10.258 -0.940 -5.699 153 1HB ALA 45 1HB ALA 45 8.086 -0.394 -4.621 154 2HB ALA 45 2HB ALA 45 8.298 0.557 -6.096 155 3HB ALA 45 3HB ALA 45 7.230 -0.848 -6.101 156 HA PRO 46 HA PRO 46 9.885 -5.220 -4.701 157 1HB PRO 46 1HB PRO 46 9.356 -5.364 -1.986 158 2HB PRO 46 2HB PRO 46 10.935 -4.887 -2.675 159 1HG PRO 46 1HG PRO 46 8.687 -3.069 -1.783 160 2HG PRO 46 2HG PRO 46 10.412 -2.990 -1.308 161 1HD PRO 46 1HD PRO 46 9.446 -1.428 -3.287 162 2HD PRO 46 2HD PRO 46 11.028 -2.221 -3.515 163 H ALA 47 H ALA 47 8.432 -6.950 -3.938 164 HA ALA 47 HA ALA 47 5.734 -6.597 -4.833 165 1HB ALA 47 1HB ALA 47 5.451 -8.917 -4.123 166 2HB ALA 47 2HB ALA 47 7.032 -8.765 -4.919 167 3HB ALA 47 3HB ALA 47 6.940 -8.851 -3.157 168 H ILE 48 H ILE 48 4.123 -5.635 -3.684 169 HA ILE 48 HA ILE 48 4.223 -5.905 -0.711 170 HB ILE 48 HB ILE 48 3.291 -3.773 -0.316 171 1HG1 ILE 48 1HG1 ILE 48 3.405 -2.013 -2.151 172 2HG1 ILE 48 2HG1 ILE 48 3.276 -3.344 -3.309 173 1HG2 ILE 48 1HG2 ILE 48 5.723 -4.087 -0.370 174 2HG2 ILE 48 2HG2 ILE 48 5.747 -3.587 -2.070 175 3HG2 ILE 48 3HG2 ILE 48 5.245 -2.447 -0.816 176 1HD1 ILE 48 1HD1 ILE 48 1.055 -3.892 -2.358 177 2HD1 ILE 48 2HD1 ILE 48 1.335 -2.776 -1.000 178 3HD1 ILE 48 3HD1 ILE 48 1.139 -2.135 -2.627 179 H ASP 49 H ASP 49 2.608 -7.016 -3.409 180 HA ASP 49 HA ASP 49 -0.005 -7.057 -2.493 181 1HB ASP 49 1HB ASP 49 -0.402 -8.594 -4.077 182 2HB ASP 49 2HB ASP 49 1.231 -8.264 -4.593 183 H LYS 50 H LYS 50 2.742 -8.843 -1.260 184 HA LYS 50 HA LYS 50 1.065 -10.271 0.729 185 1HB LYS 50 1HB LYS 50 3.471 -10.997 -0.732 186 2HB LYS 50 2HB LYS 50 3.820 -11.007 0.984 187 1HG LYS 50 1HG LYS 50 3.012 -13.191 0.574 188 2HG LYS 50 2HG LYS 50 1.696 -12.342 1.375 189 1HD LYS 50 1HD LYS 50 0.658 -13.512 -0.386 190 2HD LYS 50 2HD LYS 50 0.740 -11.841 -0.961 191 1HE LYS 50 1HE LYS 50 2.850 -12.421 -2.239 192 2HE LYS 50 2HE LYS 50 2.683 -14.092 -1.702 193 1HZ LYS 50 1HZ LYS 50 0.763 -12.525 -3.313 194 2HZ LYS 50 2HZ LYS 50 1.780 -13.695 -3.888 195 3HZ LYS 50 3HZ LYS 50 0.558 -14.120 -2.861 196 H ALA 51 H ALA 51 2.232 -7.261 0.650 197 HA ALA 51 HA ALA 51 3.926 -7.094 2.898 198 1HB ALA 51 1HB ALA 51 3.448 -5.254 1.308 199 2HB ALA 51 2HB ALA 51 1.879 -5.014 2.111 200 3HB ALA 51 3HB ALA 51 3.373 -4.782 3.018 201 H GLY 52 H GLY 52 0.279 -7.374 2.733 202 1HA GLY 52 1HA GLY 52 -0.211 -6.998 5.457 203 2HA GLY 52 2HA GLY 52 -1.101 -8.061 4.341 204 H ALA 53 H ALA 53 1.235 -9.851 3.849 205 HA ALA 53 HA ALA 53 0.964 -11.570 6.219 206 1HB ALA 53 1HB ALA 53 2.725 -11.888 3.745 207 2HB ALA 53 2HB ALA 53 2.444 -13.092 5.009 208 3HB ALA 53 3HB ALA 53 1.113 -12.597 3.959 209 H ASN 54 H ASN 54 3.458 -9.610 4.597 210 HA ASN 54 HA ASN 54 5.572 -10.435 6.380 211 1HB ASN 54 1HB ASN 54 5.403 -8.048 4.500 212 2HB ASN 54 2HB ASN 54 6.876 -8.626 5.287 213 1HD2 ASN 54 1HD2 ASN 54 6.621 -8.386 2.452 214 2HD2 ASN 54 2HD2 ASN 54 6.714 -10.011 1.797 215 H TYR 55 H TYR 55 3.364 -7.682 6.365 216 HA TYR 55 HA TYR 55 4.459 -6.581 8.891 217 1HB TYR 55 1HB TYR 55 3.727 -4.968 6.413 218 2HB TYR 55 2HB TYR 55 4.350 -4.337 7.935 219 HD1 TYR 55 1HD TYR 55 5.331 -4.098 4.898 220 HD2 TYR 55 2HD TYR 55 6.691 -6.143 8.444 221 HE1 TYR 55 1HE TYR 55 7.667 -4.046 4.051 222 HE2 TYR 55 2HE TYR 55 8.988 -6.155 7.560 223 HH TYR 55 HH TYR 55 10.391 -5.466 5.864 224 H SER 56 H SER 56 2.837 -5.093 9.882 225 HA SER 56 HA SER 56 0.112 -6.191 9.429 226 1HB SER 56 1HB SER 56 1.235 -4.595 11.742 227 2HB SER 56 2HB SER 56 -0.348 -5.407 11.665 228 HG SER 56 HG SER 56 1.226 -6.657 12.735 229 H GLU 57 H GLU 57 -1.705 -4.504 9.963 230 HA GLU 57 HA GLU 57 -1.673 -2.786 7.719 231 1HB GLU 57 1HB GLU 57 -3.876 -2.260 8.205 232 2HB GLU 57 2HB GLU 57 -3.678 -3.904 8.751 233 1HG GLU 57 1HG GLU 57 -4.858 -3.067 10.505 234 2HG GLU 57 2HG GLU 57 -3.241 -2.730 11.128 235 H GLU 58 H GLU 58 -1.106 -2.137 11.189 236 HA GLU 58 HA GLU 58 -0.906 0.623 11.121 237 1HB GLU 58 1HB GLU 58 0.613 0.362 13.064 238 2HB GLU 58 2HB GLU 58 -0.934 -0.470 13.197 239 1HG GLU 58 1HG GLU 58 1.542 -2.046 12.389 240 2HG GLU 58 2HG GLU 58 1.254 -1.586 14.051 241 H GLU 59 H GLU 59 1.736 -1.709 10.473 242 HA GLU 59 HA GLU 59 3.833 0.158 10.034 243 1HB GLU 59 1HB GLU 59 3.264 -2.618 8.918 244 2HB GLU 59 2HB GLU 59 4.801 -1.795 8.681 245 1HG GLU 59 1HG GLU 59 3.788 -2.169 11.515 246 2HG GLU 59 2HG GLU 59 4.487 -3.536 10.638 247 H ILE 60 H ILE 60 1.520 -1.394 7.839 248 HA ILE 60 HA ILE 60 2.591 -0.327 5.399 249 HB ILE 60 HB ILE 60 -0.139 -1.441 6.128 250 1HG1 ILE 60 1HG1 ILE 60 1.961 -2.758 4.398 251 2HG1 ILE 60 2HG1 ILE 60 2.060 -2.891 6.159 252 1HG2 ILE 60 1HG2 ILE 60 0.976 -0.543 3.453 253 2HG2 ILE 60 2HG2 ILE 60 -0.312 -1.755 3.562 254 3HG2 ILE 60 3HG2 ILE 60 -0.580 -0.144 4.223 255 1HD1 ILE 60 1HD1 ILE 60 0.925 -4.823 5.223 256 2HD1 ILE 60 2HD1 ILE 60 -0.158 -3.906 6.275 257 3HD1 ILE 60 3HD1 ILE 60 -0.336 -3.796 4.518 258 H LEU 61 H LEU 61 -0.168 0.636 7.446 259 HA LEU 61 HA LEU 61 -1.076 2.886 6.104 260 1HB LEU 61 1HB LEU 61 -2.029 1.749 8.188 261 2HB LEU 61 2HB LEU 61 -0.810 2.564 9.135 262 HG LEU 61 HG LEU 61 -1.708 4.774 8.313 263 1HD1 LEU 61 1HD1 LEU 61 -4.011 4.813 7.416 264 2HD1 LEU 61 2HD1 LEU 61 -2.930 3.974 6.297 265 3HD1 LEU 61 3HD1 LEU 61 -4.009 3.039 7.349 266 1HD2 LEU 61 1HD2 LEU 61 -2.271 3.901 10.532 267 2HD2 LEU 61 2HD2 LEU 61 -3.678 4.716 9.825 268 3HD2 LEU 61 3HD2 LEU 61 -3.599 2.941 9.844 269 H ASP 62 H ASP 62 1.401 2.676 8.709 270 HA ASP 62 HA ASP 62 1.896 5.476 8.639 271 1HB ASP 62 1HB ASP 62 2.746 3.395 10.293 272 2HB ASP 62 2HB ASP 62 4.242 3.925 9.517 273 H ILE 63 H ILE 63 3.413 2.750 6.899 274 HA ILE 63 HA ILE 63 5.488 4.361 5.683 275 HB ILE 63 HB ILE 63 4.336 1.625 5.259 276 1HG1 ILE 63 1HG1 ILE 63 7.210 2.652 5.147 277 2HG1 ILE 63 2HG1 ILE 63 6.359 2.279 6.659 278 1HG2 ILE 63 1HG2 ILE 63 5.828 3.014 3.003 279 2HG2 ILE 63 2HG2 ILE 63 5.566 1.271 3.137 280 3HG2 ILE 63 3HG2 ILE 63 4.181 2.323 2.958 281 1HD1 ILE 63 1HD1 ILE 63 6.021 -0.065 5.871 282 2HD1 ILE 63 2HD1 ILE 63 7.024 0.299 4.445 283 3HD1 ILE 63 3HD1 ILE 63 7.724 0.396 6.061 284 H ILE 64 H ILE 64 2.136 3.649 4.641 285 HA ILE 64 HA ILE 64 2.360 4.998 2.115 286 HB ILE 64 HB ILE 64 0.011 4.471 3.965 287 1HG1 ILE 64 1HG1 ILE 64 0.615 3.122 1.320 288 2HG1 ILE 64 2HG1 ILE 64 1.433 2.570 2.783 289 1HG2 ILE 64 1HG2 ILE 64 0.015 5.533 1.112 290 2HG2 ILE 64 2HG2 ILE 64 -1.411 4.864 1.934 291 3HG2 ILE 64 3HG2 ILE 64 -0.654 6.328 2.553 292 1HD1 ILE 64 1HD1 ILE 64 -1.575 2.717 2.436 293 2HD1 ILE 64 2HD1 ILE 64 -0.559 1.260 2.472 294 3HD1 ILE 64 3HD1 ILE 64 -0.741 2.249 3.923 295 H LEU 65 H LEU 65 1.238 6.112 5.330 296 HA LEU 65 HA LEU 65 0.657 8.783 4.489 297 1HB LEU 65 1HB LEU 65 1.304 7.581 7.191 298 2HB LEU 65 2HB LEU 65 0.722 9.233 6.962 299 HG LEU 65 HG LEU 65 -0.950 6.811 6.045 300 1HD1 LEU 65 1HD1 LEU 65 -2.163 7.123 8.172 301 2HD1 LEU 65 2HD1 LEU 65 -0.467 6.720 8.511 302 3HD1 LEU 65 3HD1 LEU 65 -1.026 8.394 8.666 303 1HD2 LEU 65 1HD2 LEU 65 -2.765 8.464 6.246 304 2HD2 LEU 65 2HD2 LEU 65 -1.561 9.744 6.507 305 3HD2 LEU 65 3HD2 LEU 65 -1.573 8.810 4.983 306 H ASN 66 H ASN 66 3.607 7.300 5.766 307 HA ASN 66 HA ASN 66 5.046 9.846 6.103 308 1HB ASN 66 1HB ASN 66 5.739 6.911 6.582 309 2HB ASN 66 2HB ASN 66 6.943 8.149 6.661 310 1HD2 ASN 66 1HD2 ASN 66 3.853 7.177 8.038 311 2HD2 ASN 66 2HD2 ASN 66 4.325 7.501 9.674 312 H GLY 67 H GLY 67 5.550 6.802 4.283 313 1HA GLY 67 1HA GLY 67 6.500 6.802 2.029 314 2HA GLY 67 2HA GLY 67 7.562 8.133 2.520 315 H GLN 68 H GLN 68 7.451 4.825 2.155 316 HA GLN 68 HA GLN 68 9.420 3.927 4.097 317 1HB GLN 68 1HB GLN 68 8.813 1.951 2.889 318 2HB GLN 68 2HB GLN 68 8.126 2.962 1.658 319 1HG GLN 68 1HG GLN 68 9.642 1.681 0.685 320 2HG GLN 68 2HG GLN 68 10.384 3.236 0.602 321 1HE2 GLN 68 1HE2 GLN 68 10.540 0.022 2.419 322 2HE2 GLN 68 2HE2 GLN 68 12.150 0.323 2.979 323 H GLY 69 H GLY 69 11.765 4.003 3.756 324 1HA GLY 69 1HA GLY 69 13.152 6.164 3.094 325 2HA GLY 69 2HA GLY 69 13.756 4.556 2.719 326 H GLY 70 H GLY 70 12.781 3.719 0.471 327 1HA GLY 70 1HA GLY 70 13.589 5.761 -1.515 328 2HA GLY 70 2HA GLY 70 13.347 4.044 -1.789 329 H MET 71 H MET 71 10.784 5.789 -0.159 330 HA MET 71 HA MET 71 9.122 5.844 -2.644 331 1HB MET 71 1HB MET 71 8.814 3.768 -1.434 332 2HB MET 71 2HB MET 71 8.603 4.645 0.078 333 1HG MET 71 1HG MET 71 6.555 5.634 -0.641 334 2HG MET 71 2HG MET 71 6.639 4.870 -2.224 335 1HE MET 71 1HE MET 71 4.792 4.885 0.872 336 2HE MET 71 2HE MET 71 4.059 4.584 -0.720 337 3HE MET 71 3HE MET 71 3.915 3.372 0.577 338 HA PRO 72 HA PRO 72 8.065 9.787 -0.531 339 1HB PRO 72 1HB PRO 72 6.328 10.800 -2.392 340 2HB PRO 72 2HB PRO 72 8.105 10.878 -2.567 341 1HG PRO 72 1HG PRO 72 6.196 8.940 -3.852 342 2HG PRO 72 2HG PRO 72 7.599 9.752 -4.586 343 1HD PRO 72 1HD PRO 72 7.592 7.158 -3.591 344 2HD PRO 72 2HD PRO 72 9.079 8.158 -3.691 345 H GLY 73 H GLY 73 6.312 10.127 0.887 346 1HA GLY 73 1HA GLY 73 4.058 8.161 0.774 347 2HA GLY 73 2HA GLY 73 4.693 8.951 2.208 348 H GLY 74 H GLY 74 2.311 9.266 2.312 349 1HA GLY 74 1HA GLY 74 0.528 10.709 2.360 350 2HA GLY 74 2HA GLY 74 1.538 12.005 1.677 351 H ILE 75 H ILE 75 1.617 9.070 -0.098 352 HA ILE 75 HA ILE 75 0.353 10.090 -2.441 353 HB ILE 75 HB ILE 75 1.172 7.302 -1.509 354 1HG1 ILE 75 1HG1 ILE 75 2.431 9.424 -3.310 355 2HG1 ILE 75 2HG1 ILE 75 3.036 8.824 -1.760 356 1HG2 ILE 75 1HG2 ILE 75 0.942 6.570 -3.866 357 2HG2 ILE 75 2HG2 ILE 75 -0.586 7.019 -3.161 358 3HG2 ILE 75 3HG2 ILE 75 0.231 8.148 -4.275 359 1HD1 ILE 75 1HD1 ILE 75 3.254 6.530 -2.865 360 2HD1 ILE 75 2HD1 ILE 75 2.932 7.379 -4.410 361 3HD1 ILE 75 3HD1 ILE 75 4.349 7.788 -3.461 362 H ALA 76 H ALA 76 -0.826 8.409 0.430 363 HA ALA 76 HA ALA 76 -3.558 8.985 -0.431 364 1HB ALA 76 1HB ALA 76 -3.437 6.614 -0.950 365 2HB ALA 76 2HB ALA 76 -2.547 6.274 0.544 366 3HB ALA 76 3HB ALA 76 -4.242 6.752 0.631 367 H LYS 77 H LYS 77 -4.766 9.704 1.436 368 HA LYS 77 HA LYS 77 -3.533 9.392 4.075 369 1HB LYS 77 1HB LYS 77 -4.105 12.075 2.723 370 2HB LYS 77 2HB LYS 77 -4.013 11.841 4.467 371 1HG LYS 77 1HG LYS 77 -1.703 10.738 4.003 372 2HG LYS 77 2HG LYS 77 -1.791 11.502 2.422 373 1HD LYS 77 1HD LYS 77 -1.517 13.638 3.315 374 2HD LYS 77 2HD LYS 77 -2.289 13.220 4.857 375 1HE LYS 77 1HE LYS 77 -0.328 11.849 5.521 376 2HE LYS 77 2HE LYS 77 0.493 12.264 4.012 377 1HZ LYS 77 1HZ LYS 77 -0.290 14.173 6.106 378 2HZ LYS 77 2HZ LYS 77 1.223 13.595 5.827 379 3HZ LYS 77 3HZ LYS 77 0.495 14.549 4.704 380 H GLY 78 H GLY 78 -4.938 10.019 5.819 381 1HA GLY 78 1HA GLY 78 -6.872 9.620 6.960 382 2HA GLY 78 2HA GLY 78 -7.674 10.541 5.671 383 H ALA 79 H ALA 79 -9.470 9.288 5.406 384 HA ALA 79 HA ALA 79 -9.987 6.669 5.470 385 1HB ALA 79 1HB ALA 79 -11.659 8.376 4.939 386 2HB ALA 79 2HB ALA 79 -10.980 8.560 3.303 387 3HB ALA 79 3HB ALA 79 -11.740 7.028 3.789 388 H GLU 80 H GLU 80 -8.195 8.246 2.822 389 HA GLU 80 HA GLU 80 -8.291 6.058 0.988 390 1HB GLU 80 1HB GLU 80 -7.703 8.585 0.663 391 2HB GLU 80 2HB GLU 80 -6.077 8.115 1.145 392 1HG GLU 80 1HG GLU 80 -5.999 6.533 -0.766 393 2HG GLU 80 2HG GLU 80 -7.659 6.956 -1.182 394 H ALA 81 H ALA 81 -5.685 7.096 3.387 395 HA ALA 81 HA ALA 81 -4.051 4.805 2.785 396 1HB ALA 81 1HB ALA 81 -3.163 6.944 3.653 397 2HB ALA 81 2HB ALA 81 -4.043 6.687 5.178 398 3HB ALA 81 3HB ALA 81 -2.739 5.578 4.687 399 H GLU 82 H GLU 82 -6.461 5.649 5.305 400 HA GLU 82 HA GLU 82 -6.181 3.394 6.993 401 1HB GLU 82 1HB GLU 82 -8.622 5.042 6.254 402 2HB GLU 82 2HB GLU 82 -8.556 3.891 7.590 403 1HG GLU 82 1HG GLU 82 -6.865 5.164 8.740 404 2HG GLU 82 2HG GLU 82 -6.634 6.257 7.377 405 H ALA 83 H ALA 83 -8.338 3.864 4.157 406 HA ALA 83 HA ALA 83 -9.376 1.246 4.042 407 1HB ALA 83 1HB ALA 83 -8.855 3.198 1.757 408 2HB ALA 83 2HB ALA 83 -9.932 1.794 1.712 409 3HB ALA 83 3HB ALA 83 -10.306 3.137 2.785 410 H VAL 84 H VAL 84 -6.459 2.635 2.352 411 HA VAL 84 HA VAL 84 -5.668 0.264 1.082 412 HB VAL 84 HB VAL 84 -3.790 2.315 2.335 413 1HG1 VAL 84 1HG1 VAL 84 -3.331 -0.100 0.538 414 2HG1 VAL 84 2HG1 VAL 84 -2.162 1.218 0.683 415 3HG1 VAL 84 3HG1 VAL 84 -2.557 0.245 2.087 416 1HG2 VAL 84 1HG2 VAL 84 -4.881 3.445 0.558 417 2HG2 VAL 84 2HG2 VAL 84 -3.370 2.850 -0.128 418 3HG2 VAL 84 3HG2 VAL 84 -4.898 2.001 -0.464 419 H ALA 85 H ALA 85 -4.586 1.339 4.369 420 HA ALA 85 HA ALA 85 -2.856 -0.794 4.849 421 1HB ALA 85 1HB ALA 85 -4.580 0.732 6.850 422 2HB ALA 85 2HB ALA 85 -3.137 -0.223 7.226 423 3HB ALA 85 3HB ALA 85 -2.994 1.220 6.199 424 H ALA 86 H ALA 86 -6.296 -0.564 5.887 425 HA ALA 86 HA ALA 86 -6.520 -3.133 7.014 426 1HB ALA 86 1HB ALA 86 -8.225 -1.392 7.258 427 2HB ALA 86 2HB ALA 86 -8.617 -1.485 5.527 428 3HB ALA 86 3HB ALA 86 -8.952 -2.869 6.592 429 H TRP 87 H TRP 87 -7.286 -2.111 3.642 430 HA TRP 87 HA TRP 87 -8.032 -4.693 2.706 431 1HB TRP 87 1HB TRP 87 -8.693 -2.688 1.615 432 2HB TRP 87 2HB TRP 87 -6.993 -2.183 1.443 433 HD1 TRP 87 HD TRP 87 -9.448 -4.629 -0.247 434 HE1 TRP 87 1HE TRP 87 -8.372 -5.493 -2.385 435 HE3 TRP 87 3HE TRP 87 -5.080 -1.983 -0.044 436 HZ2 TRP 87 2HZ TRP 87 -4.986 -5.152 -2.861 437 HZ3 TRP 87 3HZ TRP 87 -3.565 -2.059 -2.001 438 HH2 TRP 87 HH TRP 87 -4.187 -3.268 -4.048 439 H LEU 88 H LEU 88 -4.871 -3.064 2.798 440 HA LEU 88 HA LEU 88 -3.662 -5.008 1.063 441 1HB LEU 88 1HB LEU 88 -3.015 -2.496 1.474 442 2HB LEU 88 2HB LEU 88 -2.034 -3.139 2.764 443 HG LEU 88 HG LEU 88 -1.066 -2.677 0.464 444 1HD1 LEU 88 1HD1 LEU 88 -0.181 -4.371 2.272 445 2HD1 LEU 88 2HD1 LEU 88 -0.683 -5.610 1.087 446 3HD1 LEU 88 3HD1 LEU 88 0.485 -4.348 0.615 447 1HD2 LEU 88 1HD2 LEU 88 -1.293 -3.971 -1.403 448 2HD2 LEU 88 2HD2 LEU 88 -2.059 -5.326 -0.554 449 3HD2 LEU 88 3HD2 LEU 88 -2.951 -3.840 -0.789 450 H ALA 89 H ALA 89 -3.889 -4.467 4.555 451 HA ALA 89 HA ALA 89 -2.412 -6.753 5.428 452 1HB ALA 89 1HB ALA 89 -3.841 -6.734 7.385 453 2HB ALA 89 2HB ALA 89 -3.166 -5.142 6.991 454 3HB ALA 89 3HB ALA 89 -4.873 -5.497 6.648 455 H GLU 90 H GLU 90 -5.897 -6.372 4.484 456 HA GLU 90 HA GLU 90 -6.361 -9.161 4.818 457 1HB GLU 90 1HB GLU 90 -8.515 -8.588 4.665 458 2HB GLU 90 2HB GLU 90 -7.924 -6.935 4.698 459 1HG GLU 90 1HG GLU 90 -7.880 -7.127 2.096 460 2HG GLU 90 2HG GLU 90 -8.811 -8.607 2.327 461 H LYS 91 H LYS 91 -4.690 -7.649 2.293 462 HA LYS 91 HA LYS 91 -5.500 -9.218 0.050 463 1HB LYS 91 1HB LYS 91 -3.810 -7.075 0.606 464 2HB LYS 91 2HB LYS 91 -2.659 -8.292 0.154 465 1HG LYS 91 1HG LYS 91 -5.061 -7.814 -1.649 466 2HG LYS 91 2HG LYS 91 -3.894 -6.520 -1.458 467 1HD LYS 91 1HD LYS 91 -3.368 -7.780 -3.434 468 2HD LYS 91 2HD LYS 91 -2.062 -7.846 -2.245 469 1HE LYS 91 1HE LYS 91 -2.533 -10.086 -1.633 470 2HE LYS 91 2HE LYS 91 -4.129 -10.060 -2.434 471 1HZ LYS 91 1HZ LYS 91 -2.683 -9.756 -4.528 472 2HZ LYS 91 2HZ LYS 91 -1.451 -10.340 -3.587 473 3HZ LYS 91 3HZ LYS 91 -2.779 -11.240 -3.824 474 H LYS 92 H LYS 92 -3.577 -9.901 2.837 475 HA LYS 92 HA LYS 92 -1.436 -11.255 1.740 476 1HB LYS 92 1HB LYS 92 -0.926 -11.818 4.020 477 2HB LYS 92 2HB LYS 92 -1.558 -10.174 3.840 478 1HG LYS 92 1HG LYS 92 -3.854 -11.225 4.511 479 2HG LYS 92 2HG LYS 92 -2.918 -12.622 5.032 480 1HD LYS 92 1HD LYS 92 -1.789 -11.349 6.753 481 2HD LYS 92 2HD LYS 92 -2.197 -9.827 5.990 482 1HE LYS 92 1HE LYS 92 -3.598 -9.973 7.889 483 2HE LYS 92 2HE LYS 92 -4.617 -10.132 6.451 484 1HZ LYS 92 1HZ LYS 92 -3.656 -12.377 8.093 485 2HZ LYS 92 2HZ LYS 92 -5.174 -11.735 8.134 486 3HZ LYS 92 3HZ LYS 92 -4.635 -12.489 6.769 487 HHA HEC 93 HHA HEC 93 8.747 -0.380 0.152 488 HHB HEC 93 HHB HEC 93 2.314 -0.021 0.677 489 HHC HEC 93 HHC HEC 93 2.400 4.321 -4.070 490 HHD HEC 93 HHD HEC 93 8.621 3.185 -5.066 491 1HMA HEC 93 1HMA HEC 93 4.651 -1.279 3.437 492 2HMA HEC 93 2HMA HEC 93 3.155 -1.071 2.522 493 3HMA HEC 93 3HMA HEC 93 4.163 -2.509 2.252 494 1HAA HEC 93 1HAA HEC 93 6.983 -1.873 2.999 495 2HAA HEC 93 2HAA HEC 93 8.080 -0.677 2.419 496 1HBA HEC 93 1HBA HEC 93 7.994 -2.356 0.295 497 2HBA HEC 93 2HBA HEC 93 7.582 -3.525 1.547 498 1HMB HEC 93 1HMB HEC 93 0.251 -0.156 -0.984 499 2HMB HEC 93 2HMB HEC 93 0.160 0.925 0.415 500 3HMB HEC 93 3HMB HEC 93 -0.772 1.270 -1.053 501 HAB HEC 93 HAB HEC 93 0.448 4.160 -3.392 502 1HBB HEC 93 1HBB HEC 93 -0.997 3.427 -0.827 503 2HBB HEC 93 2HBB HEC 93 -0.146 4.928 -1.206 504 3HBB HEC 93 3HBB HEC 93 -1.608 4.489 -2.106 505 1HMC HEC 93 1HMC HEC 93 4.311 5.745 -6.988 506 2HMC HEC 93 2HMC HEC 93 3.317 4.297 -6.807 507 3HMC HEC 93 3HMC HEC 93 3.068 5.686 -5.747 508 HAC HEC 93 HAC HEC 93 7.984 4.405 -6.628 509 1HBC HEC 93 1HBC HEC 93 7.602 6.624 -7.617 510 2HBC HEC 93 2HBC HEC 93 6.163 6.824 -6.596 511 3HBC HEC 93 3HBC HEC 93 7.756 6.626 -5.855 512 1HMD HEC 93 1HMD HEC 93 11.264 0.692 -4.261 513 2HMD HEC 93 2HMD HEC 93 10.218 1.708 -5.235 514 3HMD HEC 93 3HMD HEC 93 11.349 2.464 -4.080 515 1HAD HEC 93 1HAD HEC 93 11.016 -0.742 -1.466 516 2HAD HEC 93 2HAD HEC 93 10.726 0.237 -0.184 517 1HBD HEC 93 1HBD HEC 93 12.752 1.044 -0.397 518 2HBD HEC 93 2HBD HEC 93 11.918 2.239 -1.338 Start of MODEL 10 1 1H VAL 22 1H VAL 22 -14.198 4.093 0.290 2 2H VAL 22 2H VAL 22 -12.902 4.253 1.297 3 3H VAL 22 3H VAL 22 -13.862 5.593 0.951 4 HA VAL 22 HA VAL 22 -13.304 5.254 -1.371 5 HB VAL 22 HB VAL 22 -10.740 5.540 0.260 6 1HG1 VAL 22 1HG1 VAL 22 -10.478 5.332 -2.205 7 2HG1 VAL 22 2HG1 VAL 22 -11.658 6.633 -2.447 8 3HG1 VAL 22 3HG1 VAL 22 -10.101 6.976 -1.674 9 1HG2 VAL 22 1HG2 VAL 22 -12.870 7.634 -0.373 10 2HG2 VAL 22 2HG2 VAL 22 -12.333 7.109 1.243 11 3HG2 VAL 22 3HG2 VAL 22 -11.229 8.001 0.193 12 H ASP 23 H ASP 23 -13.000 3.651 -2.608 13 HA ASP 23 HA ASP 23 -12.810 1.098 -1.893 14 1HB ASP 23 1HB ASP 23 -12.236 2.324 -4.618 15 2HB ASP 23 2HB ASP 23 -12.729 0.647 -4.337 16 H ALA 24 H ALA 24 -11.111 0.381 -0.777 17 HA ALA 24 HA ALA 24 -8.604 1.307 -0.698 18 1HB ALA 24 1HB ALA 24 -9.334 -1.598 -0.258 19 2HB ALA 24 2HB ALA 24 -7.963 -0.676 0.428 20 3HB ALA 24 3HB ALA 24 -9.629 -0.302 0.914 21 H GLU 25 H GLU 25 -9.547 -1.596 -2.628 22 HA GLU 25 HA GLU 25 -6.937 -1.946 -3.693 23 1HB GLU 25 1HB GLU 25 -7.760 -3.567 -5.069 24 2HB GLU 25 2HB GLU 25 -8.931 -3.607 -3.746 25 1HG GLU 25 1HG GLU 25 -10.453 -2.187 -5.147 26 2HG GLU 25 2HG GLU 25 -9.261 -2.298 -6.491 27 H ALA 26 H ALA 26 -9.718 0.088 -4.781 28 HA ALA 26 HA ALA 26 -8.659 0.770 -7.319 29 1HB ALA 26 1HB ALA 26 -10.331 2.641 -5.645 30 2HB ALA 26 2HB ALA 26 -10.195 2.546 -7.399 31 3HB ALA 26 3HB ALA 26 -11.012 1.237 -6.519 32 H VAL 27 H VAL 27 -8.261 2.315 -4.100 33 HA VAL 27 HA VAL 27 -6.411 4.413 -4.862 34 HB VAL 27 HB VAL 27 -6.279 2.701 -2.335 35 1HG1 VAL 27 1HG1 VAL 27 -4.239 4.043 -2.792 36 2HG1 VAL 27 2HG1 VAL 27 -5.246 5.501 -2.926 37 3HG1 VAL 27 3HG1 VAL 27 -5.122 4.627 -1.386 38 1HG2 VAL 27 1HG2 VAL 27 -8.514 3.690 -2.456 39 2HG2 VAL 27 2HG2 VAL 27 -7.544 4.547 -1.258 40 3HG2 VAL 27 3HG2 VAL 27 -7.816 5.275 -2.857 41 H VAL 28 H VAL 28 -5.657 0.944 -3.892 42 HA VAL 28 HA VAL 28 -2.982 1.632 -4.420 43 HB VAL 28 HB VAL 28 -4.339 -1.017 -3.896 44 1HG1 VAL 28 1HG1 VAL 28 -1.380 -0.366 -3.931 45 2HG1 VAL 28 2HG1 VAL 28 -2.039 -1.811 -3.231 46 3HG1 VAL 28 3HG1 VAL 28 -2.268 -1.515 -4.964 47 1HG2 VAL 28 1HG2 VAL 28 -3.365 1.328 -2.301 48 2HG2 VAL 28 2HG2 VAL 28 -4.559 0.078 -1.908 49 3HG2 VAL 28 3HG2 VAL 28 -2.814 -0.197 -1.696 50 H GLN 29 H GLN 29 -5.252 0.002 -6.337 51 HA GLN 29 HA GLN 29 -3.837 -0.524 -8.735 52 1HB GLN 29 1HB GLN 29 -6.772 -0.150 -8.044 53 2HB GLN 29 2HB GLN 29 -6.258 -0.671 -9.617 54 1HG GLN 29 1HG GLN 29 -5.666 -2.175 -7.044 55 2HG GLN 29 2HG GLN 29 -6.899 -2.582 -8.239 56 1HE2 GLN 29 1HE2 GLN 29 -4.165 -3.828 -7.219 57 2HE2 GLN 29 2HE2 GLN 29 -3.320 -4.183 -8.722 58 H GLN 30 H GLN 30 -4.455 2.551 -7.421 59 HA GLN 30 HA GLN 30 -3.688 3.573 -10.110 60 1HB GLN 30 1HB GLN 30 -6.231 4.009 -8.951 61 2HB GLN 30 2HB GLN 30 -5.353 5.516 -8.683 62 1HG GLN 30 1HG GLN 30 -4.765 5.547 -11.130 63 2HG GLN 30 2HG GLN 30 -5.623 4.009 -11.335 64 1HE2 GLN 30 1HE2 GLN 30 -6.125 7.423 -10.296 65 2HE2 GLN 30 2HE2 GLN 30 -7.801 7.471 -10.828 66 H LYS 31 H LYS 31 -3.084 3.735 -6.710 67 HA LYS 31 HA LYS 31 -1.456 6.193 -7.020 68 1HB LYS 31 1HB LYS 31 -3.285 5.172 -4.991 69 2HB LYS 31 2HB LYS 31 -1.718 5.295 -4.301 70 1HG LYS 31 1HG LYS 31 -2.611 7.366 -3.875 71 2HG LYS 31 2HG LYS 31 -1.738 7.737 -5.373 72 1HD LYS 31 1HD LYS 31 -3.886 7.370 -6.641 73 2HD LYS 31 2HD LYS 31 -4.683 7.000 -5.099 74 1HE LYS 31 1HE LYS 31 -3.538 9.431 -4.480 75 2HE LYS 31 2HE LYS 31 -3.821 9.651 -6.213 76 1HZ LYS 31 1HZ LYS 31 -6.170 9.038 -5.721 77 2HZ LYS 31 2HZ LYS 31 -5.779 8.934 -4.123 78 3HZ LYS 31 3HZ LYS 31 -5.680 10.369 -4.870 79 H CYS 32 H CYS 32 -1.203 2.703 -6.480 80 HA CYS 32 HA CYS 32 1.629 3.039 -5.583 81 1HB CYS 32 1HB CYS 32 -0.072 0.642 -5.182 82 2HB CYS 32 2HB CYS 32 1.310 1.129 -4.226 83 H ILE 33 H ILE 33 -0.551 1.031 -7.602 84 HA ILE 33 HA ILE 33 1.297 -0.737 -8.657 85 HB ILE 33 HB ILE 33 -0.046 -0.780 -10.709 86 1HG1 ILE 33 1HG1 ILE 33 -1.903 1.296 -9.512 87 2HG1 ILE 33 2HG1 ILE 33 -0.642 1.746 -10.655 88 1HG2 ILE 33 1HG2 ILE 33 -2.084 -1.648 -9.661 89 2HG2 ILE 33 2HG2 ILE 33 -0.656 -2.110 -8.742 90 3HG2 ILE 33 3HG2 ILE 33 -1.675 -0.817 -8.145 91 1HD1 ILE 33 1HD1 ILE 33 -2.850 -0.225 -11.280 92 2HD1 ILE 33 2HD1 ILE 33 -2.659 1.432 -11.891 93 3HD1 ILE 33 3HD1 ILE 33 -1.486 0.187 -12.341 94 H SER 34 H SER 34 0.965 2.642 -9.359 95 HA SER 34 HA SER 34 2.378 3.239 -11.580 96 1HB SER 34 1HB SER 34 1.419 4.813 -9.825 97 2HB SER 34 2HB SER 34 2.884 4.535 -8.864 98 HG SER 34 HG SER 34 2.791 5.572 -11.514 99 H CYS 35 H CYS 35 3.814 2.101 -8.485 100 HA CYS 35 HA CYS 35 6.395 1.685 -9.935 101 1HB CYS 35 1HB CYS 35 6.300 2.004 -6.933 102 2HB CYS 35 2HB CYS 35 7.637 2.157 -8.056 103 H HIS 36 H HIS 36 4.153 0.378 -7.425 104 HA HIS 36 HA HIS 36 5.698 -2.036 -7.122 105 1HB HIS 36 1HB HIS 36 2.915 -1.225 -6.281 106 2HB HIS 36 2HB HIS 36 3.618 -2.808 -5.908 107 HD1 HIS 36 1HD HIS 36 5.770 -2.846 -4.215 108 HD2 HIS 36 2HD HIS 36 3.779 0.849 -4.758 109 HE1 HIS 36 1HE HIS 36 6.492 -1.320 -2.316 110 H GLY 37 H GLY 37 3.492 -1.131 -9.641 111 1HA GLY 37 1HA GLY 37 3.178 -2.310 -11.593 112 2HA GLY 37 2HA GLY 37 3.775 -3.806 -10.858 113 H GLY 38 H GLY 38 1.368 -3.552 -12.418 114 1HA GLY 38 1HA GLY 38 -1.036 -3.003 -11.394 115 2HA GLY 38 2HA GLY 38 -0.765 -4.418 -12.409 116 H ASP 39 H ASP 39 0.235 -6.373 -11.046 117 HA ASP 39 HA ASP 39 -1.768 -7.044 -9.077 118 1HB ASP 39 1HB ASP 39 0.678 -8.498 -10.149 119 2HB ASP 39 2HB ASP 39 -0.464 -9.198 -8.990 120 H LEU 40 H LEU 40 0.964 -5.177 -8.662 121 HA LEU 40 HA LEU 40 2.207 -4.491 -6.888 122 1HB LEU 40 1HB LEU 40 0.132 -5.903 -5.198 123 2HB LEU 40 2HB LEU 40 1.249 -4.646 -4.697 124 HG LEU 40 HG LEU 40 -0.282 -3.837 -7.131 125 1HD1 LEU 40 1HD1 LEU 40 -1.795 -4.482 -4.605 126 2HD1 LEU 40 2HD1 LEU 40 -2.418 -3.523 -5.977 127 3HD1 LEU 40 3HD1 LEU 40 -2.016 -5.233 -6.197 128 1HD2 LEU 40 1HD2 LEU 40 -0.175 -2.526 -4.464 129 2HD2 LEU 40 2HD2 LEU 40 1.179 -2.445 -5.601 130 3HD2 LEU 40 3HD2 LEU 40 -0.389 -1.785 -6.071 131 H THR 41 H THR 41 2.658 -7.023 -8.272 132 HA THR 41 HA THR 41 4.008 -8.864 -6.535 133 HB THR 41 HB THR 41 4.673 -9.588 -9.001 134 HG1 THR 41 1HG THR 41 3.119 -8.671 -10.484 135 1HG2 THR 41 1HG2 THR 41 2.384 -10.566 -9.325 136 2HG2 THR 41 2HG2 THR 41 2.984 -10.777 -7.669 137 3HG2 THR 41 3HG2 THR 41 1.776 -9.528 -8.018 138 H GLY 42 H GLY 42 4.806 -5.723 -7.811 139 1HA GLY 42 1HA GLY 42 6.574 -4.655 -6.859 140 2HA GLY 42 2HA GLY 42 7.482 -6.158 -6.653 141 H ALA 43 H ALA 43 6.344 -3.855 -9.116 142 HA ALA 43 HA ALA 43 8.266 -4.802 -11.113 143 1HB ALA 43 1HB ALA 43 7.406 -2.904 -12.461 144 2HB ALA 43 2HB ALA 43 6.143 -3.995 -11.862 145 3HB ALA 43 3HB ALA 43 6.378 -2.419 -11.096 146 H SER 44 H SER 44 7.914 -1.425 -10.021 147 HA SER 44 HA SER 44 10.865 -1.021 -10.073 148 1HB SER 44 1HB SER 44 8.449 0.792 -10.244 149 2HB SER 44 2HB SER 44 10.017 1.441 -9.765 150 HG SER 44 HG SER 44 9.655 -0.133 -12.094 151 H ALA 45 H ALA 45 8.781 -2.152 -7.830 152 HA ALA 45 HA ALA 45 10.232 -1.045 -5.524 153 1HB ALA 45 1HB ALA 45 8.273 0.467 -5.871 154 2HB ALA 45 2HB ALA 45 7.205 -0.934 -5.906 155 3HB ALA 45 3HB ALA 45 8.064 -0.520 -4.416 156 HA PRO 46 HA PRO 46 9.829 -5.333 -4.572 157 1HB PRO 46 1HB PRO 46 9.338 -5.502 -1.852 158 2HB PRO 46 2HB PRO 46 10.912 -5.038 -2.559 159 1HG PRO 46 1HG PRO 46 8.705 -3.206 -1.605 160 2HG PRO 46 2HG PRO 46 10.440 -3.145 -1.167 161 1HD PRO 46 1HD PRO 46 9.442 -1.555 -3.106 162 2HD PRO 46 2HD PRO 46 11.017 -2.350 -3.369 163 H ALA 47 H ALA 47 8.365 -7.056 -3.901 164 HA ALA 47 HA ALA 47 5.695 -6.635 -4.801 165 1HB ALA 47 1HB ALA 47 5.372 -8.980 -4.211 166 2HB ALA 47 2HB ALA 47 6.976 -8.803 -4.953 167 3HB ALA 47 3HB ALA 47 6.832 -8.977 -3.202 168 H ILE 48 H ILE 48 4.101 -5.650 -3.650 169 HA ILE 48 HA ILE 48 4.103 -6.038 -0.681 170 HB ILE 48 HB ILE 48 2.784 -4.049 -0.377 171 1HG1 ILE 48 1HG1 ILE 48 3.304 -2.214 -2.239 172 2HG1 ILE 48 2HG1 ILE 48 3.211 -3.582 -3.339 173 1HG2 ILE 48 1HG2 ILE 48 5.429 -3.553 -1.666 174 2HG2 ILE 48 2HG2 ILE 48 4.531 -2.548 -0.479 175 3HG2 ILE 48 3HG2 ILE 48 5.149 -4.135 0.015 176 1HD1 ILE 48 1HD1 ILE 48 1.209 -2.779 -1.178 177 2HD1 ILE 48 2HD1 ILE 48 1.099 -2.192 -2.826 178 3HD1 ILE 48 3HD1 ILE 48 0.862 -3.941 -2.488 179 H ASP 49 H ASP 49 2.667 -7.213 -3.441 180 HA ASP 49 HA ASP 49 0.068 -7.488 -2.577 181 1HB ASP 49 1HB ASP 49 -0.124 -8.909 -4.296 182 2HB ASP 49 2HB ASP 49 1.546 -8.563 -4.635 183 H LYS 50 H LYS 50 2.930 -9.087 -1.236 184 HA LYS 50 HA LYS 50 1.273 -10.585 0.746 185 1HB LYS 50 1HB LYS 50 4.010 -10.960 -0.383 186 2HB LYS 50 2HB LYS 50 3.855 -11.278 1.340 187 1HG LYS 50 1HG LYS 50 3.441 -13.336 0.177 188 2HG LYS 50 2HG LYS 50 1.928 -12.798 0.934 189 1HD LYS 50 1HD LYS 50 1.270 -11.751 -1.255 190 2HD LYS 50 2HD LYS 50 2.777 -12.374 -1.956 191 1HE LYS 50 1HE LYS 50 1.898 -14.701 -1.506 192 2HE LYS 50 2HE LYS 50 0.400 -13.960 -0.893 193 1HZ LYS 50 1HZ LYS 50 0.080 -14.451 -3.192 194 2HZ LYS 50 2HZ LYS 50 0.268 -12.806 -3.077 195 3HZ LYS 50 3HZ LYS 50 1.496 -13.696 -3.618 196 H ALA 51 H ALA 51 2.183 -7.482 0.633 197 HA ALA 51 HA ALA 51 3.787 -7.190 2.933 198 1HB ALA 51 1HB ALA 51 2.971 -4.850 2.983 199 2HB ALA 51 2HB ALA 51 3.588 -5.404 1.409 200 3HB ALA 51 3HB ALA 51 1.844 -5.297 1.686 201 H GLY 52 H GLY 52 0.048 -7.462 2.794 202 1HA GLY 52 1HA GLY 52 -0.253 -7.024 5.539 203 2HA GLY 52 2HA GLY 52 -1.237 -8.073 4.507 204 H ALA 53 H ALA 53 1.088 -9.892 3.876 205 HA ALA 53 HA ALA 53 0.902 -11.621 6.228 206 1HB ALA 53 1HB ALA 53 2.724 -11.932 3.803 207 2HB ALA 53 2HB ALA 53 2.281 -13.153 4.995 208 3HB ALA 53 3HB ALA 53 1.058 -12.533 3.879 209 H ASN 54 H ASN 54 3.370 -9.622 4.623 210 HA ASN 54 HA ASN 54 5.503 -10.400 6.403 211 1HB ASN 54 1HB ASN 54 5.308 -7.972 4.579 212 2HB ASN 54 2HB ASN 54 6.785 -8.609 5.309 213 1HD2 ASN 54 1HD2 ASN 54 6.384 -8.235 2.474 214 2HD2 ASN 54 2HD2 ASN 54 6.460 -9.830 1.751 215 H TYR 55 H TYR 55 3.224 -7.697 6.382 216 HA TYR 55 HA TYR 55 4.299 -6.567 8.906 217 1HB TYR 55 1HB TYR 55 3.632 -4.991 6.383 218 2HB TYR 55 2HB TYR 55 4.191 -4.329 7.915 219 HD1 TYR 55 1HD TYR 55 5.272 -4.354 4.821 220 HD2 TYR 55 2HD TYR 55 6.526 -5.910 8.645 221 HE1 TYR 55 1HE TYR 55 7.651 -4.211 4.114 222 HE2 TYR 55 2HE TYR 55 8.877 -5.794 7.923 223 HH TYR 55 HH TYR 55 10.339 -5.140 6.266 224 H SER 56 H SER 56 2.675 -5.052 9.856 225 HA SER 56 HA SER 56 -0.066 -6.114 9.369 226 1HB SER 56 1HB SER 56 1.170 -4.604 11.689 227 2HB SER 56 2HB SER 56 -0.536 -5.097 11.595 228 HG SER 56 HG SER 56 0.777 -6.577 12.710 229 H GLU 57 H GLU 57 -1.867 -4.558 9.641 230 HA GLU 57 HA GLU 57 -1.924 -2.601 7.667 231 1HB GLU 57 1HB GLU 57 -3.944 -1.732 8.963 232 2HB GLU 57 2HB GLU 57 -4.021 -3.380 8.372 233 1HG GLU 57 1HG GLU 57 -3.116 -2.924 11.228 234 2HG GLU 57 2HG GLU 57 -4.812 -2.772 10.788 235 H GLU 58 H GLU 58 -1.176 -2.167 11.140 236 HA GLU 58 HA GLU 58 -0.965 0.615 11.236 237 1HB GLU 58 1HB GLU 58 0.474 0.213 13.212 238 2HB GLU 58 2HB GLU 58 -0.958 -0.817 13.179 239 1HG GLU 58 1HG GLU 58 0.713 -2.545 12.012 240 2HG GLU 58 2HG GLU 58 1.931 -1.572 12.847 241 H GLU 59 H GLU 59 1.687 -1.696 10.525 242 HA GLU 59 HA GLU 59 3.760 0.152 10.015 243 1HB GLU 59 1HB GLU 59 3.154 -2.611 8.884 244 2HB GLU 59 2HB GLU 59 4.689 -1.790 8.632 245 1HG GLU 59 1HG GLU 59 3.740 -2.215 11.476 246 2HG GLU 59 2HG GLU 59 4.406 -3.569 10.554 247 H ILE 60 H ILE 60 1.416 -1.405 7.832 248 HA ILE 60 HA ILE 60 2.487 -0.318 5.406 249 HB ILE 60 HB ILE 60 -0.239 -1.467 6.108 250 1HG1 ILE 60 1HG1 ILE 60 1.924 -2.692 4.368 251 2HG1 ILE 60 2HG1 ILE 60 1.989 -2.862 6.125 252 1HG2 ILE 60 1HG2 ILE 60 -0.622 -0.063 4.190 253 2HG2 ILE 60 2HG2 ILE 60 0.880 -0.599 3.406 254 3HG2 ILE 60 3HG2 ILE 60 -0.491 -1.709 3.578 255 1HD1 ILE 60 1HD1 ILE 60 -0.236 -3.917 6.149 256 2HD1 ILE 60 2HD1 ILE 60 -0.291 -3.839 4.376 257 3HD1 ILE 60 3HD1 ILE 60 0.948 -4.810 5.183 258 H LEU 61 H LEU 61 -0.239 0.665 7.466 259 HA LEU 61 HA LEU 61 -1.168 2.903 6.084 260 1HB LEU 61 1HB LEU 61 -2.186 1.844 8.090 261 2HB LEU 61 2HB LEU 61 -0.915 2.452 9.108 262 HG LEU 61 HG LEU 61 -1.594 4.730 8.825 263 1HD1 LEU 61 1HD1 LEU 61 -3.682 5.279 7.482 264 2HD1 LEU 61 2HD1 LEU 61 -2.276 4.831 6.510 265 3HD1 LEU 61 3HD1 LEU 61 -3.574 3.647 6.790 266 1HD2 LEU 61 1HD2 LEU 61 -3.837 4.641 9.816 267 2HD2 LEU 61 2HD2 LEU 61 -4.036 2.964 9.263 268 3HD2 LEU 61 3HD2 LEU 61 -2.807 3.360 10.486 269 H ASP 62 H ASP 62 1.293 2.674 8.698 270 HA ASP 62 HA ASP 62 1.884 5.460 8.699 271 1HB ASP 62 1HB ASP 62 2.497 3.923 10.543 272 2HB ASP 62 2HB ASP 62 3.728 3.178 9.504 273 H ILE 63 H ILE 63 3.314 2.717 6.926 274 HA ILE 63 HA ILE 63 5.430 4.228 5.696 275 HB ILE 63 HB ILE 63 4.176 1.537 5.342 276 1HG1 ILE 63 1HG1 ILE 63 7.079 2.299 4.961 277 2HG1 ILE 63 2HG1 ILE 63 6.370 2.286 6.583 278 1HG2 ILE 63 1HG2 ILE 63 5.606 2.821 2.990 279 2HG2 ILE 63 2HG2 ILE 63 5.359 1.092 3.207 280 3HG2 ILE 63 3HG2 ILE 63 3.957 2.136 3.037 281 1HD1 ILE 63 1HD1 ILE 63 7.513 0.156 6.011 282 2HD1 ILE 63 2HD1 ILE 63 5.804 -0.045 6.442 283 3HD1 ILE 63 3HD1 ILE 63 6.316 -0.145 4.744 284 H ILE 64 H ILE 64 2.052 3.663 4.642 285 HA ILE 64 HA ILE 64 2.361 4.981 2.102 286 HB ILE 64 HB ILE 64 -0.027 4.566 3.934 287 1HG1 ILE 64 1HG1 ILE 64 0.712 3.240 1.302 288 2HG1 ILE 64 2HG1 ILE 64 1.240 2.590 2.847 289 1HG2 ILE 64 1HG2 ILE 64 -1.390 5.080 1.864 290 2HG2 ILE 64 2HG2 ILE 64 -0.594 6.474 2.580 291 3HG2 ILE 64 3HG2 ILE 64 0.092 5.731 1.126 292 1HD1 ILE 64 1HD1 ILE 64 -0.728 1.405 2.344 293 2HD1 ILE 64 2HD1 ILE 64 -1.181 2.546 3.616 294 3HD1 ILE 64 3HD1 ILE 64 -1.624 2.881 1.926 295 H LEU 65 H LEU 65 1.280 6.159 5.299 296 HA LEU 65 HA LEU 65 0.830 8.850 4.443 297 1HB LEU 65 1HB LEU 65 1.418 7.643 7.155 298 2HB LEU 65 2HB LEU 65 0.864 9.302 6.910 299 HG LEU 65 HG LEU 65 -0.838 6.945 5.898 300 1HD1 LEU 65 1HD1 LEU 65 -2.040 7.106 8.050 301 2HD1 LEU 65 2HD1 LEU 65 -0.353 6.628 8.328 302 3HD1 LEU 65 3HD1 LEU 65 -0.863 8.295 8.644 303 1HD2 LEU 65 1HD2 LEU 65 -2.627 8.561 6.158 304 2HD2 LEU 65 2HD2 LEU 65 -1.472 9.803 6.691 305 3HD2 LEU 65 3HD2 LEU 65 -1.376 9.136 5.037 306 H ASN 66 H ASN 66 3.698 7.214 5.700 307 HA ASN 66 HA ASN 66 5.228 9.693 6.104 308 1HB ASN 66 1HB ASN 66 5.750 6.739 6.638 309 2HB ASN 66 2HB ASN 66 7.007 7.927 6.781 310 1HD2 ASN 66 1HD2 ASN 66 3.725 7.258 7.894 311 2HD2 ASN 66 2HD2 ASN 66 4.039 7.596 9.561 312 H GLY 67 H GLY 67 5.398 6.783 4.046 313 1HA GLY 67 1HA GLY 67 6.388 6.653 1.900 314 2HA GLY 67 2HA GLY 67 7.425 8.036 2.261 315 H GLN 68 H GLN 68 7.345 4.662 2.114 316 HA GLN 68 HA GLN 68 9.550 3.982 3.849 317 1HB GLN 68 1HB GLN 68 8.271 2.123 2.665 318 2HB GLN 68 2HB GLN 68 8.598 2.931 1.150 319 1HG GLN 68 1HG GLN 68 9.791 0.939 1.574 320 2HG GLN 68 2HG GLN 68 10.892 2.278 1.180 321 1HE2 GLN 68 1HE2 GLN 68 10.833 -0.542 2.745 322 2HE2 GLN 68 2HE2 GLN 68 11.802 -0.115 4.143 323 H GLY 69 H GLY 69 11.860 3.940 3.129 324 1HA GLY 69 1HA GLY 69 13.038 6.214 2.645 325 2HA GLY 69 2HA GLY 69 13.737 4.741 1.971 326 H GLY 70 H GLY 70 12.654 4.158 -0.324 327 1HA GLY 70 1HA GLY 70 13.225 6.490 -2.036 328 2HA GLY 70 2HA GLY 70 13.021 4.806 -2.523 329 H MET 71 H MET 71 10.433 5.587 -0.543 330 HA MET 71 HA MET 71 8.645 5.670 -2.888 331 1HB MET 71 1HB MET 71 8.498 3.791 -1.399 332 2HB MET 71 2HB MET 71 8.374 4.842 0.000 333 1HG MET 71 1HG MET 71 6.255 5.591 -0.464 334 2HG MET 71 2HG MET 71 6.196 4.875 -2.072 335 1HE MET 71 1HE MET 71 4.613 4.630 1.091 336 2HE MET 71 2HE MET 71 3.828 4.303 -0.465 337 3HE MET 71 3HE MET 71 3.857 3.054 0.801 338 HA PRO 72 HA PRO 72 7.543 9.857 -1.507 339 1HB PRO 72 1HB PRO 72 5.219 10.208 -2.974 340 2HB PRO 72 2HB PRO 72 6.872 10.410 -3.616 341 1HG PRO 72 1HG PRO 72 5.093 7.980 -3.867 342 2HG PRO 72 2HG PRO 72 6.087 8.761 -5.124 343 1HD PRO 72 1HD PRO 72 6.847 6.538 -3.753 344 2HD PRO 72 2HD PRO 72 8.060 7.780 -4.228 345 H GLY 73 H GLY 73 6.309 10.569 0.211 346 1HA GLY 73 1HA GLY 73 4.573 8.616 1.569 347 2HA GLY 73 2HA GLY 73 5.446 10.004 2.258 348 H GLY 74 H GLY 74 2.615 9.253 2.255 349 1HA GLY 74 1HA GLY 74 0.644 10.483 2.468 350 2HA GLY 74 2HA GLY 74 1.499 11.941 1.919 351 H ILE 75 H ILE 75 1.813 9.126 -0.059 352 HA ILE 75 HA ILE 75 0.571 10.165 -2.382 353 HB ILE 75 HB ILE 75 1.416 7.431 -1.380 354 1HG1 ILE 75 1HG1 ILE 75 3.058 9.214 -2.172 355 2HG1 ILE 75 2HG1 ILE 75 3.174 7.601 -2.890 356 1HG2 ILE 75 1HG2 ILE 75 1.042 6.498 -3.657 357 2HG2 ILE 75 2HG2 ILE 75 -0.442 6.808 -2.748 358 3HG2 ILE 75 3HG2 ILE 75 0.058 7.925 -4.038 359 1HD1 ILE 75 1HD1 ILE 75 1.726 9.922 -4.259 360 2HD1 ILE 75 2HD1 ILE 75 3.419 9.516 -4.539 361 3HD1 ILE 75 3HD1 ILE 75 2.163 8.351 -4.961 362 H ALA 76 H ALA 76 -0.728 8.418 0.403 363 HA ALA 76 HA ALA 76 -3.400 9.120 -0.512 364 1HB ALA 76 1HB ALA 76 -3.408 6.794 -1.149 365 2HB ALA 76 2HB ALA 76 -2.514 6.316 0.306 366 3HB ALA 76 3HB ALA 76 -4.192 6.849 0.446 367 H LYS 77 H LYS 77 -4.732 9.602 1.351 368 HA LYS 77 HA LYS 77 -3.421 9.404 4.006 369 1HB LYS 77 1HB LYS 77 -3.847 11.932 2.449 370 2HB LYS 77 2HB LYS 77 -4.280 11.981 4.162 371 1HG LYS 77 1HG LYS 77 -2.106 11.298 4.864 372 2HG LYS 77 2HG LYS 77 -1.575 10.983 3.200 373 1HD LYS 77 1HD LYS 77 -1.647 13.315 2.644 374 2HD LYS 77 2HD LYS 77 -2.440 13.722 4.186 375 1HE LYS 77 1HE LYS 77 -0.431 12.936 5.441 376 2HE LYS 77 2HE LYS 77 0.370 12.517 3.925 377 1HZ LYS 77 1HZ LYS 77 0.306 14.844 3.322 378 2HZ LYS 77 2HZ LYS 77 -0.433 15.228 4.745 379 3HZ LYS 77 3HZ LYS 77 1.095 14.623 4.747 380 H GLY 78 H GLY 78 -4.734 9.847 5.813 381 1HA GLY 78 1HA GLY 78 -6.588 9.392 7.059 382 2HA GLY 78 2HA GLY 78 -7.474 10.351 5.858 383 H ALA 79 H ALA 79 -9.283 9.106 5.640 384 HA ALA 79 HA ALA 79 -9.799 6.480 5.663 385 1HB ALA 79 1HB ALA 79 -11.635 6.889 4.078 386 2HB ALA 79 2HB ALA 79 -11.499 8.199 5.266 387 3HB ALA 79 3HB ALA 79 -10.899 8.436 3.606 388 H GLU 80 H GLU 80 -8.163 8.133 2.970 389 HA GLU 80 HA GLU 80 -8.322 6.033 1.043 390 1HB GLU 80 1HB GLU 80 -7.682 8.584 0.893 391 2HB GLU 80 2HB GLU 80 -6.065 8.017 1.302 392 1HG GLU 80 1HG GLU 80 -6.118 6.579 -0.742 393 2HG GLU 80 2HG GLU 80 -7.731 7.208 -1.110 394 H ALA 81 H ALA 81 -5.635 6.976 3.375 395 HA ALA 81 HA ALA 81 -4.042 4.692 2.623 396 1HB ALA 81 1HB ALA 81 -3.107 6.849 3.426 397 2HB ALA 81 2HB ALA 81 -3.807 6.539 5.030 398 3HB ALA 81 3HB ALA 81 -2.558 5.456 4.361 399 H GLU 82 H GLU 82 -6.334 5.478 5.266 400 HA GLU 82 HA GLU 82 -5.889 3.183 6.890 401 1HB GLU 82 1HB GLU 82 -8.381 4.852 6.380 402 2HB GLU 82 2HB GLU 82 -8.229 3.661 7.673 403 1HG GLU 82 1HG GLU 82 -6.474 4.901 8.753 404 2HG GLU 82 2HG GLU 82 -6.313 6.024 7.400 405 H ALA 83 H ALA 83 -8.228 3.746 4.212 406 HA ALA 83 HA ALA 83 -9.363 1.168 4.111 407 1HB ALA 83 1HB ALA 83 -10.269 3.069 2.849 408 2HB ALA 83 2HB ALA 83 -8.822 3.108 1.815 409 3HB ALA 83 3HB ALA 83 -9.917 1.720 1.773 410 H VAL 84 H VAL 84 -6.453 2.495 2.376 411 HA VAL 84 HA VAL 84 -5.712 0.074 1.171 412 HB VAL 84 HB VAL 84 -3.739 2.099 2.335 413 1HG1 VAL 84 1HG1 VAL 84 -3.557 -0.304 0.520 414 2HG1 VAL 84 2HG1 VAL 84 -2.289 0.913 0.549 415 3HG1 VAL 84 3HG1 VAL 84 -2.621 -0.018 2.006 416 1HG2 VAL 84 1HG2 VAL 84 -4.940 3.244 0.592 417 2HG2 VAL 84 2HG2 VAL 84 -3.420 2.674 -0.102 418 3HG2 VAL 84 3HG2 VAL 84 -4.937 1.804 -0.441 419 H ALA 85 H ALA 85 -4.584 1.258 4.391 420 HA ALA 85 HA ALA 85 -2.942 -0.829 5.102 421 1HB ALA 85 1HB ALA 85 -3.335 1.285 6.326 422 2HB ALA 85 2HB ALA 85 -4.863 0.650 6.963 423 3HB ALA 85 3HB ALA 85 -3.338 -0.138 7.392 424 H ALA 86 H ALA 86 -6.452 -0.619 5.875 425 HA ALA 86 HA ALA 86 -6.682 -3.191 7.058 426 1HB ALA 86 1HB ALA 86 -8.761 -1.552 5.545 427 2HB ALA 86 2HB ALA 86 -9.102 -2.939 6.605 428 3HB ALA 86 3HB ALA 86 -8.394 -1.457 7.282 429 H TRP 87 H TRP 87 -7.274 -2.183 3.644 430 HA TRP 87 HA TRP 87 -8.060 -4.781 2.740 431 1HB TRP 87 1HB TRP 87 -8.738 -2.900 1.526 432 2HB TRP 87 2HB TRP 87 -7.083 -2.262 1.493 433 HD1 TRP 87 HD TRP 87 -9.243 -4.730 -0.472 434 HE1 TRP 87 1HE TRP 87 -7.920 -5.546 -2.499 435 HE3 TRP 87 3HE TRP 87 -4.992 -2.074 0.309 436 HZ2 TRP 87 2HZ TRP 87 -5.049 -5.112 -3.550 437 HZ3 TRP 87 3HZ TRP 87 -3.152 -2.172 -1.327 438 HH2 TRP 87 HH TRP 87 -3.289 -3.595 -3.318 439 H LEU 88 H LEU 88 -4.921 -3.079 2.289 440 HA LEU 88 HA LEU 88 -3.584 -5.204 1.021 441 1HB LEU 88 1HB LEU 88 -2.968 -2.570 1.805 442 2HB LEU 88 2HB LEU 88 -1.805 -3.532 2.677 443 HG LEU 88 HG LEU 88 -2.182 -4.031 -0.324 444 1HD1 LEU 88 1HD1 LEU 88 -0.216 -2.018 0.657 445 2HD1 LEU 88 2HD1 LEU 88 -0.882 -2.358 -0.990 446 3HD1 LEU 88 3HD1 LEU 88 -1.843 -1.525 0.199 447 1HD2 LEU 88 1HD2 LEU 88 0.194 -4.195 1.324 448 2HD2 LEU 88 2HD2 LEU 88 -0.900 -5.589 0.976 449 3HD2 LEU 88 3HD2 LEU 88 -0.134 -4.725 -0.373 450 H ALA 89 H ALA 89 -4.034 -4.454 4.474 451 HA ALA 89 HA ALA 89 -2.471 -6.603 5.517 452 1HB ALA 89 1HB ALA 89 -3.197 -4.911 6.983 453 2HB ALA 89 2HB ALA 89 -4.915 -5.281 6.697 454 3HB ALA 89 3HB ALA 89 -3.871 -6.459 7.509 455 H GLU 90 H GLU 90 -6.037 -6.455 4.732 456 HA GLU 90 HA GLU 90 -6.315 -9.221 5.412 457 1HB GLU 90 1HB GLU 90 -8.560 -8.928 5.125 458 2HB GLU 90 2HB GLU 90 -8.016 -7.281 5.456 459 1HG GLU 90 1HG GLU 90 -9.464 -6.943 3.684 460 2HG GLU 90 2HG GLU 90 -7.934 -7.098 2.817 461 H LYS 91 H LYS 91 -5.015 -7.804 2.569 462 HA LYS 91 HA LYS 91 -6.151 -9.492 0.585 463 1HB LYS 91 1HB LYS 91 -5.031 -7.238 0.379 464 2HB LYS 91 2HB LYS 91 -3.475 -8.003 0.633 465 1HG LYS 91 1HG LYS 91 -5.444 -8.646 -1.625 466 2HG LYS 91 2HG LYS 91 -4.122 -7.472 -1.735 467 1HD LYS 91 1HD LYS 91 -2.906 -9.826 -0.729 468 2HD LYS 91 2HD LYS 91 -3.995 -10.421 -1.996 469 1HE LYS 91 1HE LYS 91 -1.930 -8.217 -2.097 470 2HE LYS 91 2HE LYS 91 -1.599 -9.913 -2.482 471 1HZ LYS 91 1HZ LYS 91 -3.063 -9.811 -4.338 472 2HZ LYS 91 2HZ LYS 91 -3.573 -8.286 -3.979 473 3HZ LYS 91 3HZ LYS 91 -2.036 -8.547 -4.502 474 H LYS 92 H LYS 92 -3.781 -10.001 2.970 475 HA LYS 92 HA LYS 92 -1.655 -11.180 1.723 476 1HB LYS 92 1HB LYS 92 -0.958 -11.598 3.942 477 2HB LYS 92 2HB LYS 92 -1.754 -10.029 3.706 478 1HG LYS 92 1HG LYS 92 -3.916 -11.164 4.643 479 2HG LYS 92 2HG LYS 92 -2.950 -12.574 5.005 480 1HD LYS 92 1HD LYS 92 -1.882 -11.566 6.808 481 2HD LYS 92 2HD LYS 92 -2.221 -9.923 6.247 482 1HE LYS 92 1HE LYS 92 -4.529 -10.002 6.793 483 2HE LYS 92 2HE LYS 92 -4.536 -11.754 6.945 484 1HZ LYS 92 1HZ LYS 92 -3.291 -11.565 8.940 485 2HZ LYS 92 2HZ LYS 92 -3.091 -9.937 8.763 486 3HZ LYS 92 3HZ LYS 92 -4.587 -10.558 9.050 487 HHA HEC 93 HHA HEC 93 8.730 -0.429 0.298 488 HHB HEC 93 HHB HEC 93 2.306 -0.105 0.737 489 HHC HEC 93 HHC HEC 93 2.475 4.325 -3.982 490 HHD HEC 93 HHD HEC 93 8.668 3.089 -4.942 491 1HMA HEC 93 1HMA HEC 93 4.681 -1.779 3.373 492 2HMA HEC 93 2HMA HEC 93 3.244 -0.933 2.798 493 3HMA HEC 93 3HMA HEC 93 3.724 -2.477 2.051 494 1HAA HEC 93 1HAA HEC 93 6.917 -1.998 3.091 495 2HAA HEC 93 2HAA HEC 93 8.058 -0.819 2.540 496 1HBA HEC 93 1HBA HEC 93 7.850 -2.402 0.347 497 2HBA HEC 93 2HBA HEC 93 7.473 -3.605 1.576 498 1HMB HEC 93 1HMB HEC 93 -0.333 1.701 0.107 499 2HMB HEC 93 2HMB HEC 93 -0.605 0.730 -1.355 500 3HMB HEC 93 3HMB HEC 93 0.329 0.078 -0.028 501 HAB HEC 93 HAB HEC 93 0.535 4.223 -3.265 502 1HBB HEC 93 1HBB HEC 93 -1.221 3.330 -0.975 503 2HBB HEC 93 2HBB HEC 93 -0.051 4.664 -0.869 504 3HBB HEC 93 3HBB HEC 93 -1.400 4.731 -2.017 505 1HMC HEC 93 1HMC HEC 93 3.472 6.099 -5.305 506 2HMC HEC 93 2HMC HEC 93 4.529 5.948 -6.715 507 3HMC HEC 93 3HMC HEC 93 3.244 4.767 -6.456 508 HAC HEC 93 HAC HEC 93 8.017 4.151 -6.595 509 1HBC HEC 93 1HBC HEC 93 7.814 6.399 -7.613 510 2HBC HEC 93 2HBC HEC 93 6.553 6.779 -6.424 511 3HBC HEC 93 3HBC HEC 93 8.198 6.344 -5.893 512 1HMD HEC 93 1HMD HEC 93 11.272 0.572 -4.130 513 2HMD HEC 93 2HMD HEC 93 10.245 1.592 -5.119 514 3HMD HEC 93 3HMD HEC 93 11.376 2.341 -3.960 515 1HAD HEC 93 1HAD HEC 93 10.982 -0.844 -1.294 516 2HAD HEC 93 2HAD HEC 93 10.731 0.274 -0.076 517 1HBD HEC 93 1HBD HEC 93 12.752 1.009 -0.342 518 2HBD HEC 93 2HBD HEC 93 11.964 2.074 -1.466 Start of MODEL 11 1 1H VAL 22 1H VAL 22 -14.102 3.728 0.830 2 2H VAL 22 2H VAL 22 -12.749 3.921 1.753 3 3H VAL 22 3H VAL 22 -13.853 5.188 1.617 4 HA VAL 22 HA VAL 22 -13.469 5.109 -0.763 5 HB VAL 22 HB VAL 22 -10.833 5.515 0.727 6 1HG1 VAL 22 1HG1 VAL 22 -11.984 6.644 -1.875 7 2HG1 VAL 22 2HG1 VAL 22 -10.437 7.124 -1.150 8 3HG1 VAL 22 3HG1 VAL 22 -10.656 5.475 -1.748 9 1HG2 VAL 22 1HG2 VAL 22 -12.511 6.868 1.868 10 2HG2 VAL 22 2HG2 VAL 22 -11.565 7.926 0.816 11 3HG2 VAL 22 3HG2 VAL 22 -13.189 7.416 0.316 12 H ASP 23 H ASP 23 -13.047 3.730 -2.196 13 HA ASP 23 HA ASP 23 -12.704 1.127 -1.754 14 1HB ASP 23 1HB ASP 23 -12.305 2.634 -4.368 15 2HB ASP 23 2HB ASP 23 -12.734 0.920 -4.222 16 H ALA 24 H ALA 24 -10.924 0.549 -0.679 17 HA ALA 24 HA ALA 24 -8.413 1.484 -0.783 18 1HB ALA 24 1HB ALA 24 -7.702 -0.551 0.289 19 2HB ALA 24 2HB ALA 24 -9.276 -0.054 0.937 20 3HB ALA 24 3HB ALA 24 -9.197 -1.380 -0.235 21 H GLU 25 H GLU 25 -9.530 -1.441 -2.579 22 HA GLU 25 HA GLU 25 -6.995 -1.823 -3.789 23 1HB GLU 25 1HB GLU 25 -7.858 -3.556 -4.960 24 2HB GLU 25 2HB GLU 25 -9.039 -3.464 -3.647 25 1HG GLU 25 1HG GLU 25 -10.521 -2.154 -5.111 26 2HG GLU 25 2HG GLU 25 -9.328 -2.342 -6.462 27 H ALA 26 H ALA 26 -9.857 0.105 -4.849 28 HA ALA 26 HA ALA 26 -8.899 0.724 -7.425 29 1HB ALA 26 1HB ALA 26 -11.212 1.210 -6.574 30 2HB ALA 26 2HB ALA 26 -10.527 2.600 -5.691 31 3HB ALA 26 3HB ALA 26 -10.440 2.546 -7.454 32 H VAL 27 H VAL 27 -8.421 2.462 -4.336 33 HA VAL 27 HA VAL 27 -6.526 4.511 -5.199 34 HB VAL 27 HB VAL 27 -6.673 2.889 -2.607 35 1HG1 VAL 27 1HG1 VAL 27 -5.361 4.584 -1.562 36 2HG1 VAL 27 2HG1 VAL 27 -4.446 4.036 -2.966 37 3HG1 VAL 27 3HG1 VAL 27 -5.340 5.576 -3.022 38 1HG2 VAL 27 1HG2 VAL 27 -7.760 5.667 -3.212 39 2HG2 VAL 27 2HG2 VAL 27 -8.753 4.210 -3.055 40 3HG2 VAL 27 3HG2 VAL 27 -7.843 4.804 -1.661 41 H VAL 28 H VAL 28 -5.705 1.041 -4.027 42 HA VAL 28 HA VAL 28 -3.080 1.907 -4.636 43 HB VAL 28 HB VAL 28 -4.363 -0.716 -3.993 44 1HG1 VAL 28 1HG1 VAL 28 -1.753 -0.493 -4.960 45 2HG1 VAL 28 2HG1 VAL 28 -1.551 -0.723 -3.212 46 3HG1 VAL 28 3HG1 VAL 28 -2.457 -1.880 -4.179 47 1HG2 VAL 28 1HG2 VAL 28 -4.649 0.613 -2.122 48 2HG2 VAL 28 2HG2 VAL 28 -3.052 0.013 -1.693 49 3HG2 VAL 28 3HG2 VAL 28 -3.216 1.596 -2.410 50 H GLN 29 H GLN 29 -5.355 0.036 -6.391 51 HA GLN 29 HA GLN 29 -3.940 -0.695 -8.734 52 1HB GLN 29 1HB GLN 29 -6.884 -0.204 -8.138 53 2HB GLN 29 2HB GLN 29 -6.333 -0.841 -9.657 54 1HG GLN 29 1HG GLN 29 -5.810 -2.213 -6.994 55 2HG GLN 29 2HG GLN 29 -7.089 -2.605 -8.142 56 1HE2 GLN 29 1HE2 GLN 29 -3.732 -3.044 -7.355 57 2HE2 GLN 29 2HE2 GLN 29 -3.298 -3.972 -8.780 58 H GLN 30 H GLN 30 -4.664 2.492 -7.648 59 HA GLN 30 HA GLN 30 -3.657 3.360 -10.309 60 1HB GLN 30 1HB GLN 30 -6.268 3.882 -9.282 61 2HB GLN 30 2HB GLN 30 -5.381 5.384 -9.073 62 1HG GLN 30 1HG GLN 30 -4.679 5.295 -11.478 63 2HG GLN 30 2HG GLN 30 -5.490 3.728 -11.655 64 1HE2 GLN 30 1HE2 GLN 30 -6.228 7.114 -10.617 65 2HE2 GLN 30 2HE2 GLN 30 -7.823 7.122 -11.361 66 H LYS 31 H LYS 31 -3.036 3.383 -7.015 67 HA LYS 31 HA LYS 31 -1.461 5.916 -7.160 68 1HB LYS 31 1HB LYS 31 -2.896 4.451 -4.908 69 2HB LYS 31 2HB LYS 31 -1.857 5.777 -4.605 70 1HG LYS 31 1HG LYS 31 -4.253 6.065 -6.423 71 2HG LYS 31 2HG LYS 31 -4.213 6.428 -4.693 72 1HD LYS 31 1HD LYS 31 -2.276 7.991 -5.090 73 2HD LYS 31 2HD LYS 31 -2.566 7.816 -6.839 74 1HE LYS 31 1HE LYS 31 -4.860 8.675 -6.554 75 2HE LYS 31 2HE LYS 31 -4.642 8.743 -4.790 76 1HZ LYS 31 1HZ LYS 31 -2.983 10.378 -5.054 77 2HZ LYS 31 2HZ LYS 31 -3.080 10.328 -6.705 78 3HZ LYS 31 3HZ LYS 31 -4.354 10.873 -5.813 79 H CYS 32 H CYS 32 -1.238 2.446 -6.514 80 HA CYS 32 HA CYS 32 1.602 2.841 -5.667 81 1HB CYS 32 1HB CYS 32 0.138 0.319 -5.181 82 2HB CYS 32 2HB CYS 32 1.414 1.020 -4.240 83 H ILE 33 H ILE 33 -0.576 0.947 -7.760 84 HA ILE 33 HA ILE 33 1.275 -0.852 -8.753 85 HB ILE 33 HB ILE 33 -0.039 -0.959 -10.793 86 1HG1 ILE 33 1HG1 ILE 33 -1.889 1.202 -9.744 87 2HG1 ILE 33 2HG1 ILE 33 -0.585 1.583 -10.868 88 1HG2 ILE 33 1HG2 ILE 33 -2.126 -1.721 -9.740 89 2HG2 ILE 33 2HG2 ILE 33 -0.739 -2.165 -8.749 90 3HG2 ILE 33 3HG2 ILE 33 -1.736 -0.807 -8.271 91 1HD1 ILE 33 1HD1 ILE 33 -1.407 -0.022 -12.513 92 2HD1 ILE 33 2HD1 ILE 33 -2.789 -0.409 -11.468 93 3HD1 ILE 33 3HD1 ILE 33 -2.601 1.227 -12.130 94 H SER 34 H SER 34 0.988 2.556 -9.527 95 HA SER 34 HA SER 34 2.565 3.035 -11.666 96 1HB SER 34 1HB SER 34 2.304 4.369 -8.966 97 2HB SER 34 2HB SER 34 3.541 4.958 -10.085 98 HG SER 34 HG SER 34 1.948 5.314 -11.618 99 H CYS 35 H CYS 35 3.810 1.905 -8.496 100 HA CYS 35 HA CYS 35 6.460 1.497 -9.819 101 1HB CYS 35 1HB CYS 35 6.258 2.000 -6.844 102 2HB CYS 35 2HB CYS 35 7.636 2.115 -7.916 103 H HIS 36 H HIS 36 4.096 0.285 -7.406 104 HA HIS 36 HA HIS 36 5.595 -2.161 -6.980 105 1HB HIS 36 1HB HIS 36 2.836 -1.231 -6.160 106 2HB HIS 36 2HB HIS 36 3.526 -2.796 -5.713 107 HD1 HIS 36 1HD HIS 36 5.745 -2.755 -4.111 108 HD2 HIS 36 2HD HIS 36 3.698 0.891 -4.711 109 HE1 HIS 36 1HE HIS 36 6.465 -1.177 -2.244 110 H GLY 37 H GLY 37 3.594 -1.215 -9.617 111 1HA GLY 37 1HA GLY 37 3.214 -2.445 -11.506 112 2HA GLY 37 2HA GLY 37 3.763 -3.929 -10.710 113 H GLY 38 H GLY 38 1.417 -3.671 -12.356 114 1HA GLY 38 1HA GLY 38 -1.025 -3.092 -11.396 115 2HA GLY 38 2HA GLY 38 -0.725 -4.503 -12.408 116 H ASP 39 H ASP 39 0.379 -6.382 -10.956 117 HA ASP 39 HA ASP 39 -1.734 -7.153 -9.112 118 1HB ASP 39 1HB ASP 39 0.810 -8.556 -10.015 119 2HB ASP 39 2HB ASP 39 -0.466 -9.294 -9.035 120 H LEU 40 H LEU 40 0.902 -5.209 -8.574 121 HA LEU 40 HA LEU 40 2.023 -4.485 -6.776 122 1HB LEU 40 1HB LEU 40 0.055 -6.095 -5.129 123 2HB LEU 40 2HB LEU 40 1.084 -4.789 -4.568 124 HG LEU 40 HG LEU 40 -0.656 -4.143 -6.959 125 1HD1 LEU 40 1HD1 LEU 40 -2.602 -3.714 -5.640 126 2HD1 LEU 40 2HD1 LEU 40 -2.207 -5.436 -5.621 127 3HD1 LEU 40 3HD1 LEU 40 -1.843 -4.433 -4.194 128 1HD2 LEU 40 1HD2 LEU 40 0.990 -2.585 -5.805 129 2HD2 LEU 40 2HD2 LEU 40 -0.650 -2.005 -6.089 130 3HD2 LEU 40 3HD2 LEU 40 -0.166 -2.551 -4.462 131 H THR 41 H THR 41 2.667 -6.988 -8.205 132 HA THR 41 HA THR 41 4.072 -8.771 -6.447 133 HB THR 41 HB THR 41 4.774 -9.511 -8.885 134 HG1 THR 41 1HG THR 41 3.256 -8.635 -10.416 135 1HG2 THR 41 1HG2 THR 41 1.854 -9.483 -7.970 136 2HG2 THR 41 2HG2 THR 41 2.509 -10.525 -9.249 137 3HG2 THR 41 3HG2 THR 41 3.071 -10.710 -7.577 138 H GLY 42 H GLY 42 4.772 -5.634 -7.721 139 1HA GLY 42 1HA GLY 42 6.564 -4.468 -6.924 140 2HA GLY 42 2HA GLY 42 7.524 -5.937 -6.712 141 H ALA 43 H ALA 43 6.825 -3.300 -8.851 142 HA ALA 43 HA ALA 43 8.439 -4.533 -11.053 143 1HB ALA 43 1HB ALA 43 7.551 -2.676 -12.425 144 2HB ALA 43 2HB ALA 43 6.300 -3.771 -11.806 145 3HB ALA 43 3HB ALA 43 6.515 -2.178 -11.072 146 H SER 44 H SER 44 8.036 -1.143 -10.012 147 HA SER 44 HA SER 44 10.984 -0.755 -9.981 148 1HB SER 44 1HB SER 44 8.694 1.238 -9.857 149 2HB SER 44 2HB SER 44 10.412 1.635 -9.950 150 HG SER 44 HG SER 44 10.451 0.516 -11.973 151 H ALA 45 H ALA 45 8.756 -1.833 -7.826 152 HA ALA 45 HA ALA 45 10.137 -0.779 -5.441 153 1HB ALA 45 1HB ALA 45 7.120 -0.751 -5.919 154 2HB ALA 45 2HB ALA 45 7.936 -0.308 -4.410 155 3HB ALA 45 3HB ALA 45 8.152 0.682 -5.857 156 HA PRO 46 HA PRO 46 9.866 -5.088 -4.594 157 1HB PRO 46 1HB PRO 46 9.324 -5.325 -1.890 158 2HB PRO 46 2HB PRO 46 10.890 -4.768 -2.548 159 1HG PRO 46 1HG PRO 46 8.566 -3.060 -1.623 160 2HG PRO 46 2HG PRO 46 10.283 -2.932 -1.132 161 1HD PRO 46 1HD PRO 46 9.284 -1.350 -3.074 162 2HD PRO 46 2HD PRO 46 10.894 -2.081 -3.307 163 H ALA 47 H ALA 47 8.452 -6.889 -3.908 164 HA ALA 47 HA ALA 47 5.749 -6.567 -4.779 165 1HB ALA 47 1HB ALA 47 6.972 -8.829 -3.125 166 2HB ALA 47 2HB ALA 47 5.502 -8.904 -4.117 167 3HB ALA 47 3HB ALA 47 7.093 -8.718 -4.885 168 H ILE 48 H ILE 48 4.068 -5.756 -3.612 169 HA ILE 48 HA ILE 48 4.159 -6.099 -0.649 170 HB ILE 48 HB ILE 48 3.138 -4.010 -0.191 171 1HG1 ILE 48 1HG1 ILE 48 3.291 -2.165 -1.943 172 2HG1 ILE 48 2HG1 ILE 48 3.295 -3.441 -3.160 173 1HG2 ILE 48 1HG2 ILE 48 5.626 -3.671 -1.884 174 2HG2 ILE 48 2HG2 ILE 48 5.086 -2.619 -0.566 175 3HG2 ILE 48 3HG2 ILE 48 5.601 -4.275 -0.214 176 1HD1 ILE 48 1HD1 ILE 48 1.020 -4.125 -2.335 177 2HD1 ILE 48 2HD1 ILE 48 1.172 -2.981 -0.983 178 3HD1 ILE 48 3HD1 ILE 48 1.055 -2.373 -2.634 179 H ASP 49 H ASP 49 2.635 -7.155 -3.401 180 HA ASP 49 HA ASP 49 0.010 -7.346 -2.476 181 1HB ASP 49 1HB ASP 49 -0.279 -8.679 -4.284 182 2HB ASP 49 2HB ASP 49 1.386 -8.333 -4.664 183 H LYS 50 H LYS 50 2.842 -8.874 -1.163 184 HA LYS 50 HA LYS 50 1.212 -10.543 0.704 185 1HB LYS 50 1HB LYS 50 3.884 -10.848 -0.544 186 2HB LYS 50 2HB LYS 50 3.890 -11.090 1.197 187 1HG LYS 50 1HG LYS 50 3.510 -13.200 0.234 188 2HG LYS 50 2HG LYS 50 2.031 -12.692 1.039 189 1HD LYS 50 1HD LYS 50 1.989 -11.788 -1.741 190 2HD LYS 50 2HD LYS 50 2.505 -13.454 -1.730 191 1HE LYS 50 1HE LYS 50 0.325 -14.018 -1.681 192 2HE LYS 50 2HE LYS 50 0.310 -13.539 0.010 193 1HZ LYS 50 1HZ LYS 50 -0.467 -11.935 -2.339 194 2HZ LYS 50 2HZ LYS 50 -1.393 -12.468 -1.019 195 3HZ LYS 50 3HZ LYS 50 -0.297 -11.248 -0.875 196 H ALA 51 H ALA 51 2.230 -7.392 0.700 197 HA ALA 51 HA ALA 51 3.752 -7.262 3.072 198 1HB ALA 51 1HB ALA 51 1.970 -5.108 1.912 199 2HB ALA 51 2HB ALA 51 3.190 -4.902 3.179 200 3HB ALA 51 3HB ALA 51 3.692 -5.401 1.559 201 H GLY 52 H GLY 52 0.117 -7.518 2.714 202 1HA GLY 52 1HA GLY 52 -0.418 -6.985 5.432 203 2HA GLY 52 2HA GLY 52 -1.339 -8.049 4.346 204 H ALA 53 H ALA 53 0.958 -9.888 3.877 205 HA ALA 53 HA ALA 53 0.779 -11.512 6.351 206 1HB ALA 53 1HB ALA 53 2.216 -11.995 3.714 207 2HB ALA 53 2HB ALA 53 2.247 -13.081 5.110 208 3HB ALA 53 3HB ALA 53 0.717 -12.756 4.299 209 H ASN 54 H ASN 54 3.335 -9.720 4.567 210 HA ASN 54 HA ASN 54 5.393 -10.582 6.409 211 1HB ASN 54 1HB ASN 54 5.303 -8.240 4.459 212 2HB ASN 54 2HB ASN 54 6.726 -8.682 5.397 213 1HD2 ASN 54 1HD2 ASN 54 7.751 -10.785 5.045 214 2HD2 ASN 54 2HD2 ASN 54 7.549 -11.553 3.480 215 H TYR 55 H TYR 55 3.339 -7.704 6.236 216 HA TYR 55 HA TYR 55 4.482 -6.602 8.778 217 1HB TYR 55 1HB TYR 55 3.606 -5.051 6.323 218 2HB TYR 55 2HB TYR 55 4.258 -4.378 7.809 219 HD1 TYR 55 1HD TYR 55 5.193 -3.875 4.946 220 HD2 TYR 55 2HD TYR 55 6.632 -6.420 8.117 221 HE1 TYR 55 1HE TYR 55 7.462 -3.838 3.970 222 HE2 TYR 55 2HE TYR 55 8.865 -6.456 7.072 223 HH TYR 55 HH TYR 55 9.608 -4.642 4.067 224 H SER 56 H SER 56 2.847 -4.955 9.656 225 HA SER 56 HA SER 56 0.074 -6.065 9.251 226 1HB SER 56 1HB SER 56 1.146 -6.129 11.549 227 2HB SER 56 2HB SER 56 0.948 -4.368 11.582 228 HG SER 56 HG SER 56 -1.022 -6.406 11.401 229 H GLU 57 H GLU 57 -1.625 -4.398 9.956 230 HA GLU 57 HA GLU 57 -1.828 -2.670 7.679 231 1HB GLU 57 1HB GLU 57 -4.008 -2.166 8.367 232 2HB GLU 57 2HB GLU 57 -3.743 -3.833 8.807 233 1HG GLU 57 1HG GLU 57 -4.788 -3.164 10.678 234 2HG GLU 57 2HG GLU 57 -3.154 -2.768 11.209 235 H GLU 58 H GLU 58 -1.205 -2.042 11.153 236 HA GLU 58 HA GLU 58 -0.918 0.700 11.099 237 1HB GLU 58 1HB GLU 58 0.754 0.326 12.987 238 2HB GLU 58 2HB GLU 58 -0.872 -0.333 13.189 239 1HG GLU 58 1HG GLU 58 -0.113 -2.597 12.768 240 2HG GLU 58 2HG GLU 58 1.507 -2.022 12.320 241 H GLU 59 H GLU 59 1.647 -1.690 10.354 242 HA GLU 59 HA GLU 59 3.739 0.177 9.903 243 1HB GLU 59 1HB GLU 59 3.260 -2.607 8.748 244 2HB GLU 59 2HB GLU 59 4.805 -1.762 8.702 245 1HG GLU 59 1HG GLU 59 4.780 -1.676 11.224 246 2HG GLU 59 2HG GLU 59 3.325 -2.687 11.196 247 H ILE 60 H ILE 60 1.487 -1.447 7.681 248 HA ILE 60 HA ILE 60 2.530 -0.356 5.245 249 HB ILE 60 HB ILE 60 -0.173 -1.461 6.040 250 1HG1 ILE 60 1HG1 ILE 60 1.867 -2.728 4.196 251 2HG1 ILE 60 2HG1 ILE 60 2.011 -2.925 5.942 252 1HG2 ILE 60 1HG2 ILE 60 0.794 -0.593 3.296 253 2HG2 ILE 60 2HG2 ILE 60 -0.530 -1.749 3.519 254 3HG2 ILE 60 3HG2 ILE 60 -0.686 -0.114 4.160 255 1HD1 ILE 60 1HD1 ILE 60 0.427 -4.502 6.008 256 2HD1 ILE 60 2HD1 ILE 60 -0.721 -3.531 5.076 257 3HD1 ILE 60 3HD1 ILE 60 0.490 -4.523 4.239 258 H LEU 61 H LEU 61 -0.202 0.613 7.326 259 HA LEU 61 HA LEU 61 -1.084 2.901 6.028 260 1HB LEU 61 1HB LEU 61 -2.040 1.788 8.125 261 2HB LEU 61 2HB LEU 61 -0.782 2.547 9.054 262 HG LEU 61 HG LEU 61 -1.585 4.793 8.165 263 1HD1 LEU 61 1HD1 LEU 61 -2.960 3.952 6.274 264 2HD1 LEU 61 2HD1 LEU 61 -4.026 3.146 7.441 265 3HD1 LEU 61 3HD1 LEU 61 -3.922 4.920 7.400 266 1HD2 LEU 61 1HD2 LEU 61 -3.456 3.147 9.906 267 2HD2 LEU 61 2HD2 LEU 61 -2.028 4.054 10.455 268 3HD2 LEU 61 3HD2 LEU 61 -3.432 4.921 9.804 269 H ASP 62 H ASP 62 1.397 2.616 8.619 270 HA ASP 62 HA ASP 62 1.967 5.392 8.715 271 1HB ASP 62 1HB ASP 62 2.671 3.796 10.473 272 2HB ASP 62 2HB ASP 62 3.853 3.083 9.357 273 H ILE 63 H ILE 63 3.438 2.735 6.863 274 HA ILE 63 HA ILE 63 5.530 4.286 5.657 275 HB ILE 63 HB ILE 63 4.178 1.635 5.158 276 1HG1 ILE 63 1HG1 ILE 63 7.141 2.199 5.121 277 2HG1 ILE 63 2HG1 ILE 63 6.272 2.247 6.662 278 1HG2 ILE 63 1HG2 ILE 63 4.225 2.254 2.896 279 2HG2 ILE 63 2HG2 ILE 63 5.845 3.001 3.031 280 3HG2 ILE 63 3HG2 ILE 63 5.647 1.252 3.158 281 1HD1 ILE 63 1HD1 ILE 63 7.316 0.013 6.099 282 2HD1 ILE 63 2HD1 ILE 63 5.593 -0.025 6.511 283 3HD1 ILE 63 3HD1 ILE 63 6.101 -0.167 4.821 284 H ILE 64 H ILE 64 2.176 3.636 4.548 285 HA ILE 64 HA ILE 64 2.447 5.084 2.077 286 HB ILE 64 HB ILE 64 0.030 4.539 3.828 287 1HG1 ILE 64 1HG1 ILE 64 0.717 3.136 1.229 288 2HG1 ILE 64 2HG1 ILE 64 1.480 2.596 2.724 289 1HG2 ILE 64 1HG2 ILE 64 -1.275 4.929 1.716 290 2HG2 ILE 64 2HG2 ILE 64 -0.512 6.388 2.341 291 3HG2 ILE 64 3HG2 ILE 64 0.208 5.543 0.954 292 1HD1 ILE 64 1HD1 ILE 64 -1.518 2.792 2.276 293 2HD1 ILE 64 2HD1 ILE 64 -0.532 1.317 2.385 294 3HD1 ILE 64 3HD1 ILE 64 -0.744 2.345 3.803 295 H LEU 65 H LEU 65 1.232 6.051 5.304 296 HA LEU 65 HA LEU 65 0.629 8.744 4.557 297 1HB LEU 65 1HB LEU 65 1.164 7.425 7.227 298 2HB LEU 65 2HB LEU 65 0.587 9.085 7.048 299 HG LEU 65 HG LEU 65 -1.030 6.661 6.084 300 1HD1 LEU 65 1HD1 LEU 65 -2.343 7.053 8.133 301 2HD1 LEU 65 2HD1 LEU 65 -0.652 6.783 8.609 302 3HD1 LEU 65 3HD1 LEU 65 -1.313 8.424 8.581 303 1HD2 LEU 65 1HD2 LEU 65 -1.664 9.606 6.328 304 2HD2 LEU 65 2HD2 LEU 65 -1.633 8.545 4.881 305 3HD2 LEU 65 3HD2 LEU 65 -2.864 8.319 6.135 306 H ASN 66 H ASN 66 3.617 7.221 5.550 307 HA ASN 66 HA ASN 66 4.984 9.785 6.160 308 1HB ASN 66 1HB ASN 66 5.652 6.849 6.641 309 2HB ASN 66 2HB ASN 66 6.845 8.086 6.791 310 1HD2 ASN 66 1HD2 ASN 66 3.634 7.222 7.927 311 2HD2 ASN 66 2HD2 ASN 66 3.982 7.509 9.599 312 H GLY 67 H GLY 67 5.692 6.775 4.306 313 1HA GLY 67 1HA GLY 67 6.643 6.952 2.033 314 2HA GLY 67 2HA GLY 67 7.658 8.278 2.615 315 H GLN 68 H GLN 68 7.411 4.866 2.282 316 HA GLN 68 HA GLN 68 9.594 4.067 3.988 317 1HB GLN 68 1HB GLN 68 8.195 2.284 2.817 318 2HB GLN 68 2HB GLN 68 8.581 3.056 1.292 319 1HG GLN 68 1HG GLN 68 9.665 0.989 1.769 320 2HG GLN 68 2HG GLN 68 10.841 2.266 1.385 321 1HE2 GLN 68 1HE2 GLN 68 10.593 -0.507 3.008 322 2HE2 GLN 68 2HE2 GLN 68 11.529 -0.097 4.432 323 H GLY 69 H GLY 69 11.885 3.903 3.276 324 1HA GLY 69 1HA GLY 69 13.162 6.120 2.616 325 2HA GLY 69 2HA GLY 69 13.804 4.554 2.114 326 H GLY 70 H GLY 70 12.673 3.759 -0.092 327 1HA GLY 70 1HA GLY 70 13.292 5.845 -2.075 328 2HA GLY 70 2HA GLY 70 13.021 4.130 -2.360 329 H MET 71 H MET 71 10.612 5.824 -0.469 330 HA MET 71 HA MET 71 8.724 5.838 -2.781 331 1HB MET 71 1HB MET 71 8.546 3.929 -1.203 332 2HB MET 71 2HB MET 71 8.322 5.059 0.125 333 1HG MET 71 1HG MET 71 6.246 5.790 -0.630 334 2HG MET 71 2HG MET 71 6.365 4.939 -2.170 335 1HE MET 71 1HE MET 71 3.802 4.533 -0.632 336 2HE MET 71 2HE MET 71 3.758 3.359 0.701 337 3HE MET 71 3HE MET 71 4.540 4.936 0.938 338 HA PRO 72 HA PRO 72 8.650 10.085 -1.562 339 1HB PRO 72 1HB PRO 72 6.343 11.040 -2.744 340 2HB PRO 72 2HB PRO 72 7.837 10.630 -3.635 341 1HG PRO 72 1HG PRO 72 5.403 8.904 -3.210 342 2HG PRO 72 2HG PRO 72 6.253 9.213 -4.749 343 1HD PRO 72 1HD PRO 72 6.768 6.953 -3.364 344 2HD PRO 72 2HD PRO 72 8.126 7.876 -4.079 345 H GLY 73 H GLY 73 5.681 8.245 -0.959 346 1HA GLY 73 1HA GLY 73 4.536 8.042 1.051 347 2HA GLY 73 2HA GLY 73 5.568 9.291 1.768 348 H GLY 74 H GLY 74 2.825 9.149 2.178 349 1HA GLY 74 1HA GLY 74 0.936 10.397 2.180 350 2HA GLY 74 2HA GLY 74 1.885 11.805 1.615 351 H ILE 75 H ILE 75 1.780 8.774 -0.117 352 HA ILE 75 HA ILE 75 0.686 9.867 -2.545 353 HB ILE 75 HB ILE 75 1.266 7.088 -1.473 354 1HG1 ILE 75 1HG1 ILE 75 2.557 8.349 -3.885 355 2HG1 ILE 75 2HG1 ILE 75 3.051 8.952 -2.300 356 1HG2 ILE 75 1HG2 ILE 75 0.961 6.303 -3.863 357 2HG2 ILE 75 2HG2 ILE 75 -0.533 6.719 -3.020 358 3HG2 ILE 75 3HG2 ILE 75 0.163 7.846 -4.209 359 1HD1 ILE 75 1HD1 ILE 75 4.354 6.912 -3.325 360 2HD1 ILE 75 2HD1 ILE 75 3.923 6.903 -1.596 361 3HD1 ILE 75 3HD1 ILE 75 2.962 5.985 -2.757 362 H ALA 76 H ALA 76 -0.673 8.384 0.386 363 HA ALA 76 HA ALA 76 -3.316 9.072 -0.569 364 1HB ALA 76 1HB ALA 76 -2.441 6.276 0.284 365 2HB ALA 76 2HB ALA 76 -4.109 6.811 0.504 366 3HB ALA 76 3HB ALA 76 -3.406 6.735 -1.131 367 H LYS 77 H LYS 77 -4.634 9.739 1.295 368 HA LYS 77 HA LYS 77 -3.441 9.346 3.948 369 1HB LYS 77 1HB LYS 77 -3.676 12.067 2.602 370 2HB LYS 77 2HB LYS 77 -3.742 11.851 4.344 371 1HG LYS 77 1HG LYS 77 -1.511 10.565 4.123 372 2HG LYS 77 2HG LYS 77 -1.422 11.209 2.491 373 1HD LYS 77 1HD LYS 77 -1.226 13.434 3.252 374 2HD LYS 77 2HD LYS 77 -1.772 13.067 4.891 375 1HE LYS 77 1HE LYS 77 0.805 11.924 3.714 376 2HE LYS 77 2HE LYS 77 0.776 13.471 4.541 377 1HZ LYS 77 1HZ LYS 77 -0.195 11.030 5.844 378 2HZ LYS 77 2HZ LYS 77 1.396 11.407 5.807 379 3HZ LYS 77 3HZ LYS 77 0.320 12.432 6.539 380 H GLY 78 H GLY 78 -4.742 9.880 5.728 381 1HA GLY 78 1HA GLY 78 -6.709 9.780 6.884 382 2HA GLY 78 2HA GLY 78 -7.483 10.628 5.533 383 H ALA 79 H ALA 79 -9.325 9.355 5.542 384 HA ALA 79 HA ALA 79 -9.869 6.757 5.735 385 1HB ALA 79 1HB ALA 79 -11.746 7.078 4.218 386 2HB ALA 79 2HB ALA 79 -11.531 8.487 5.270 387 3HB ALA 79 3HB ALA 79 -11.003 8.560 3.572 388 H GLU 80 H GLU 80 -8.335 8.218 2.916 389 HA GLU 80 HA GLU 80 -8.397 6.089 1.063 390 1HB GLU 80 1HB GLU 80 -7.718 8.620 0.913 391 2HB GLU 80 2HB GLU 80 -6.144 8.068 1.475 392 1HG GLU 80 1HG GLU 80 -6.052 6.591 -0.581 393 2HG GLU 80 2HG GLU 80 -7.578 7.320 -1.100 394 H ALA 81 H ALA 81 -5.721 7.026 3.399 395 HA ALA 81 HA ALA 81 -4.168 4.688 2.770 396 1HB ALA 81 1HB ALA 81 -4.006 6.623 5.105 397 2HB ALA 81 2HB ALA 81 -2.739 5.493 4.573 398 3HB ALA 81 3HB ALA 81 -3.206 6.842 3.530 399 H GLU 82 H GLU 82 -6.471 5.651 5.343 400 HA GLU 82 HA GLU 82 -6.183 3.466 7.124 401 1HB GLU 82 1HB GLU 82 -8.657 5.004 6.294 402 2HB GLU 82 2HB GLU 82 -8.563 3.955 7.701 403 1HG GLU 82 1HG GLU 82 -7.053 5.375 8.844 404 2HG GLU 82 2HG GLU 82 -6.607 6.270 7.393 405 H ALA 83 H ALA 83 -8.337 3.808 4.266 406 HA ALA 83 HA ALA 83 -9.322 1.154 4.317 407 1HB ALA 83 1HB ALA 83 -10.125 1.590 2.103 408 2HB ALA 83 2HB ALA 83 -10.333 3.051 3.065 409 3HB ALA 83 3HB ALA 83 -9.006 2.955 1.883 410 H VAL 84 H VAL 84 -6.515 2.571 2.479 411 HA VAL 84 HA VAL 84 -5.704 0.215 1.185 412 HB VAL 84 HB VAL 84 -3.830 2.287 2.410 413 1HG1 VAL 84 1HG1 VAL 84 -2.577 0.245 2.095 414 2HG1 VAL 84 2HG1 VAL 84 -3.384 -0.085 0.555 415 3HG1 VAL 84 3HG1 VAL 84 -2.242 1.256 0.696 416 1HG2 VAL 84 1HG2 VAL 84 -4.968 1.959 -0.384 417 2HG2 VAL 84 2HG2 VAL 84 -5.062 3.384 0.662 418 3HG2 VAL 84 3HG2 VAL 84 -3.505 2.904 -0.022 419 H ALA 85 H ALA 85 -4.670 1.303 4.459 420 HA ALA 85 HA ALA 85 -2.907 -0.766 5.032 421 1HB ALA 85 1HB ALA 85 -3.207 1.266 6.334 422 2HB ALA 85 2HB ALA 85 -4.784 0.710 6.938 423 3HB ALA 85 3HB ALA 85 -3.309 -0.163 7.388 424 H ALA 86 H ALA 86 -6.375 -0.630 5.982 425 HA ALA 86 HA ALA 86 -6.517 -3.242 7.055 426 1HB ALA 86 1HB ALA 86 -8.958 -3.020 6.727 427 2HB ALA 86 2HB ALA 86 -8.243 -1.550 7.425 428 3HB ALA 86 3HB ALA 86 -8.694 -1.588 5.704 429 H TRP 87 H TRP 87 -7.356 -2.105 3.732 430 HA TRP 87 HA TRP 87 -8.166 -4.594 2.677 431 1HB TRP 87 1HB TRP 87 -8.616 -2.568 1.561 432 2HB TRP 87 2HB TRP 87 -6.888 -2.147 1.495 433 HD1 TRP 87 HD TRP 87 -9.364 -4.513 -0.279 434 HE1 TRP 87 1HE TRP 87 -8.217 -5.487 -2.357 435 HE3 TRP 87 3HE TRP 87 -4.884 -1.999 -0.038 436 HZ2 TRP 87 2HZ TRP 87 -4.881 -5.018 -2.836 437 HZ3 TRP 87 3HZ TRP 87 -3.524 -1.933 -2.123 438 HH2 TRP 87 HH TRP 87 -4.262 -3.107 -4.155 439 H LEU 88 H LEU 88 -4.912 -3.079 2.509 440 HA LEU 88 HA LEU 88 -3.642 -5.235 1.199 441 1HB LEU 88 1HB LEU 88 -2.917 -2.675 2.050 442 2HB LEU 88 2HB LEU 88 -1.931 -3.713 3.056 443 HG LEU 88 HG LEU 88 -0.952 -2.928 0.936 444 1HD1 LEU 88 1HD1 LEU 88 -1.134 -5.916 0.593 445 2HD1 LEU 88 2HD1 LEU 88 0.239 -4.779 0.500 446 3HD1 LEU 88 3HD1 LEU 88 -0.408 -5.250 2.080 447 1HD2 LEU 88 1HD2 LEU 88 -1.405 -3.729 -1.208 448 2HD2 LEU 88 2HD2 LEU 88 -2.941 -4.428 -0.648 449 3HD2 LEU 88 3HD2 LEU 88 -2.589 -2.682 -0.421 450 H ALA 89 H ALA 89 -4.000 -4.511 4.670 451 HA ALA 89 HA ALA 89 -2.639 -6.816 5.656 452 1HB ALA 89 1HB ALA 89 -3.766 -6.353 7.752 453 2HB ALA 89 2HB ALA 89 -3.070 -4.900 7.004 454 3HB ALA 89 3HB ALA 89 -4.830 -5.184 6.937 455 H GLU 90 H GLU 90 -5.861 -6.447 4.305 456 HA GLU 90 HA GLU 90 -6.725 -9.148 5.091 457 1HB GLU 90 1HB GLU 90 -8.251 -7.257 5.119 458 2HB GLU 90 2HB GLU 90 -7.932 -6.905 3.436 459 1HG GLU 90 1HG GLU 90 -8.883 -9.670 3.724 460 2HG GLU 90 2HG GLU 90 -9.996 -8.505 4.446 461 H LYS 91 H LYS 91 -4.910 -7.646 2.473 462 HA LYS 91 HA LYS 91 -6.072 -9.068 0.318 463 1HB LYS 91 1HB LYS 91 -4.839 -6.870 0.360 464 2HB LYS 91 2HB LYS 91 -3.325 -7.756 0.529 465 1HG LYS 91 1HG LYS 91 -5.262 -7.754 -1.835 466 2HG LYS 91 2HG LYS 91 -3.679 -6.962 -1.712 467 1HD LYS 91 1HD LYS 91 -2.929 -9.459 -1.061 468 2HD LYS 91 2HD LYS 91 -4.319 -9.885 -2.108 469 1HE LYS 91 1HE LYS 91 -2.052 -8.050 -2.845 470 2HE LYS 91 2HE LYS 91 -1.904 -9.814 -2.871 471 1HZ LYS 91 1HZ LYS 91 -3.861 -8.244 -4.462 472 2HZ LYS 91 2HZ LYS 91 -2.520 -8.985 -5.066 473 3HZ LYS 91 3HZ LYS 91 -3.748 -9.885 -4.451 474 H LYS 92 H LYS 92 -3.658 -9.893 2.614 475 HA LYS 92 HA LYS 92 -1.586 -10.815 1.167 476 1HB LYS 92 1HB LYS 92 -0.735 -11.608 3.100 477 2HB LYS 92 2HB LYS 92 -1.578 -10.063 3.242 478 1HG LYS 92 1HG LYS 92 -3.644 -11.645 4.032 479 2HG LYS 92 2HG LYS 92 -2.375 -12.799 4.400 480 1HD LYS 92 1HD LYS 92 -1.409 -11.324 6.032 481 2HD LYS 92 2HD LYS 92 -2.421 -9.973 5.461 482 1HE LYS 92 1HE LYS 92 -4.439 -11.440 6.185 483 2HE LYS 92 2HE LYS 92 -3.251 -12.415 7.071 484 1HZ LYS 92 1HZ LYS 92 -4.187 -10.692 8.454 485 2HZ LYS 92 2HZ LYS 92 -2.601 -10.290 8.166 486 3HZ LYS 92 3HZ LYS 92 -3.817 -9.549 7.328 487 HHA HEC 93 HHA HEC 93 8.605 -0.274 0.390 488 HHB HEC 93 HHB HEC 93 2.176 -0.044 0.718 489 HHC HEC 93 HHC HEC 93 2.301 4.189 -4.130 490 HHD HEC 93 HHD HEC 93 8.597 3.266 -4.849 491 1HMA HEC 93 1HMA HEC 93 4.511 -1.587 3.435 492 2HMA HEC 93 2HMA HEC 93 3.046 -0.933 2.709 493 3HMA HEC 93 3HMA HEC 93 3.734 -2.456 2.095 494 1HAA HEC 93 1HAA HEC 93 6.770 -1.787 3.187 495 2HAA HEC 93 2HAA HEC 93 7.909 -0.623 2.610 496 1HBA HEC 93 1HBA HEC 93 7.932 -2.253 0.511 497 2HBA HEC 93 2HBA HEC 93 7.361 -3.444 1.673 498 1HMB HEC 93 1HMB HEC 93 -0.888 1.156 -1.083 499 2HMB HEC 93 2HMB HEC 93 0.165 -0.250 -1.099 500 3HMB HEC 93 3HMB HEC 93 0.043 0.739 0.360 501 HAB HEC 93 HAB HEC 93 0.333 3.998 -3.497 502 1HBB HEC 93 1HBB HEC 93 -1.768 4.313 -2.302 503 2HBB HEC 93 2HBB HEC 93 -1.200 3.290 -0.972 504 3HBB HEC 93 3HBB HEC 93 -0.365 4.800 -1.332 505 1HMC HEC 93 1HMC HEC 93 3.150 4.493 -6.638 506 2HMC HEC 93 2HMC HEC 93 3.186 5.900 -5.554 507 3HMC HEC 93 3HMC HEC 93 4.329 5.778 -6.894 508 HAC HEC 93 HAC HEC 93 7.935 4.289 -6.538 509 1HBC HEC 93 1HBC HEC 93 6.230 6.788 -6.544 510 2HBC HEC 93 2HBC HEC 93 7.835 6.519 -5.845 511 3HBC HEC 93 3HBC HEC 93 7.630 6.494 -7.599 512 1HMD HEC 93 1HMD HEC 93 11.223 0.769 -3.966 513 2HMD HEC 93 2HMD HEC 93 10.195 1.766 -4.981 514 3HMD HEC 93 3HMD HEC 93 11.306 2.539 -3.818 515 1HAD HEC 93 1HAD HEC 93 10.874 -0.688 -1.185 516 2HAD HEC 93 2HAD HEC 93 10.562 0.375 0.061 517 1HBD HEC 93 1HBD HEC 93 12.591 1.102 -0.069 518 2HBD HEC 93 2HBD HEC 93 11.808 2.238 -1.127 Start of MODEL 12 1 1H VAL 22 1H VAL 22 -14.356 4.159 0.227 2 2H VAL 22 2H VAL 22 -13.219 4.107 1.422 3 3H VAL 22 3H VAL 22 -13.996 5.554 1.077 4 HA VAL 22 HA VAL 22 -13.101 5.396 -1.158 5 HB VAL 22 HB VAL 22 -10.863 5.254 0.923 6 1HG1 VAL 22 1HG1 VAL 22 -9.741 6.742 -0.744 7 2HG1 VAL 22 2HG1 VAL 22 -10.097 5.142 -1.414 8 3HG1 VAL 22 3HG1 VAL 22 -11.107 6.537 -1.845 9 1HG2 VAL 22 1HG2 VAL 22 -12.539 7.643 0.023 10 2HG2 VAL 22 2HG2 VAL 22 -12.470 6.962 1.668 11 3HG2 VAL 22 3HG2 VAL 22 -11.043 7.738 0.971 12 H ASP 23 H ASP 23 -12.894 3.787 -2.521 13 HA ASP 23 HA ASP 23 -12.710 1.139 -1.844 14 1HB ASP 23 1HB ASP 23 -12.207 2.508 -4.513 15 2HB ASP 23 2HB ASP 23 -12.583 0.786 -4.299 16 H ALA 24 H ALA 24 -11.005 0.596 -0.658 17 HA ALA 24 HA ALA 24 -8.469 1.425 -0.660 18 1HB ALA 24 1HB ALA 24 -9.324 -1.455 -0.213 19 2HB ALA 24 2HB ALA 24 -7.860 -0.644 0.410 20 3HB ALA 24 3HB ALA 24 -9.470 -0.159 0.983 21 H GLU 25 H GLU 25 -9.560 -1.478 -2.494 22 HA GLU 25 HA GLU 25 -7.010 -1.927 -3.617 23 1HB GLU 25 1HB GLU 25 -7.890 -3.691 -4.711 24 2HB GLU 25 2HB GLU 25 -9.162 -3.451 -3.502 25 1HG GLU 25 1HG GLU 25 -10.458 -2.179 -5.173 26 2HG GLU 25 2HG GLU 25 -9.201 -2.574 -6.401 27 H ALA 26 H ALA 26 -9.768 0.066 -4.797 28 HA ALA 26 HA ALA 26 -8.718 0.704 -7.336 29 1HB ALA 26 1HB ALA 26 -10.242 2.654 -5.594 30 2HB ALA 26 2HB ALA 26 -10.110 2.620 -7.351 31 3HB ALA 26 3HB ALA 26 -11.007 1.333 -6.519 32 H VAL 27 H VAL 27 -8.205 2.294 -4.150 33 HA VAL 27 HA VAL 27 -6.289 4.231 -5.016 34 HB VAL 27 HB VAL 27 -6.357 2.773 -2.339 35 1HG1 VAL 27 1HG1 VAL 27 -4.204 3.909 -2.682 36 2HG1 VAL 27 2HG1 VAL 27 -5.051 5.392 -3.168 37 3HG1 VAL 27 3HG1 VAL 27 -5.187 4.795 -1.508 38 1HG2 VAL 27 1HG2 VAL 27 -7.646 4.605 -1.512 39 2HG2 VAL 27 2HG2 VAL 27 -7.540 5.481 -3.060 40 3HG2 VAL 27 3HG2 VAL 27 -8.503 4.000 -2.927 41 H VAL 28 H VAL 28 -5.615 0.738 -3.822 42 HA VAL 28 HA VAL 28 -2.884 1.298 -4.632 43 HB VAL 28 HB VAL 28 -3.957 -1.316 -3.889 44 1HG1 VAL 28 1HG1 VAL 28 -1.308 -0.068 -3.022 45 2HG1 VAL 28 2HG1 VAL 28 -1.742 -1.763 -2.913 46 3HG1 VAL 28 3HG1 VAL 28 -1.494 -1.030 -4.482 47 1HG2 VAL 28 1HG2 VAL 28 -4.797 -0.037 -2.028 48 2HG2 VAL 28 2HG2 VAL 28 -3.202 -0.500 -1.446 49 3HG2 VAL 28 3HG2 VAL 28 -3.427 1.109 -2.117 50 H GLN 29 H GLN 29 -5.524 0.531 -6.450 51 HA GLN 29 HA GLN 29 -3.957 -0.768 -8.588 52 1HB GLN 29 1HB GLN 29 -6.900 -0.312 -8.086 53 2HB GLN 29 2HB GLN 29 -6.322 -0.887 -9.625 54 1HG GLN 29 1HG GLN 29 -5.744 -2.314 -7.002 55 2HG GLN 29 2HG GLN 29 -7.022 -2.729 -8.147 56 1HE2 GLN 29 1HE2 GLN 29 -3.719 -3.242 -7.329 57 2HE2 GLN 29 2HE2 GLN 29 -3.226 -4.018 -8.823 58 H GLN 30 H GLN 30 -4.456 2.382 -7.531 59 HA GLN 30 HA GLN 30 -3.725 3.299 -10.277 60 1HB GLN 30 1HB GLN 30 -6.256 3.721 -9.091 61 2HB GLN 30 2HB GLN 30 -5.413 5.259 -8.900 62 1HG GLN 30 1HG GLN 30 -4.882 5.219 -11.355 63 2HG GLN 30 2HG GLN 30 -5.686 3.644 -11.486 64 1HE2 GLN 30 1HE2 GLN 30 -6.323 7.060 -10.498 65 2HE2 GLN 30 2HE2 GLN 30 -7.998 7.029 -11.029 66 H LYS 31 H LYS 31 -3.214 3.747 -6.846 67 HA LYS 31 HA LYS 31 -1.506 6.136 -7.369 68 1HB LYS 31 1HB LYS 31 -3.392 5.307 -5.248 69 2HB LYS 31 2HB LYS 31 -1.838 5.796 -4.607 70 1HG LYS 31 1HG LYS 31 -1.960 7.922 -5.802 71 2HG LYS 31 2HG LYS 31 -3.470 7.431 -6.600 72 1HD LYS 31 1HD LYS 31 -4.640 7.349 -4.442 73 2HD LYS 31 2HD LYS 31 -3.122 7.661 -3.580 74 1HE LYS 31 1HE LYS 31 -2.998 9.876 -4.918 75 2HE LYS 31 2HE LYS 31 -4.679 9.558 -5.401 76 1HZ LYS 31 1HZ LYS 31 -4.574 10.955 -3.449 77 2HZ LYS 31 2HZ LYS 31 -5.221 9.527 -3.016 78 3HZ LYS 31 3HZ LYS 31 -3.651 9.847 -2.654 79 H CYS 32 H CYS 32 -1.317 2.783 -6.734 80 HA CYS 32 HA CYS 32 1.411 3.037 -5.559 81 1HB CYS 32 1HB CYS 32 -0.567 0.830 -5.209 82 2HB CYS 32 2HB CYS 32 0.870 1.105 -4.231 83 H ILE 33 H ILE 33 -0.627 1.037 -7.751 84 HA ILE 33 HA ILE 33 1.288 -0.707 -8.706 85 HB ILE 33 HB ILE 33 0.124 -0.720 -10.854 86 1HG1 ILE 33 1HG1 ILE 33 -1.750 1.443 -9.806 87 2HG1 ILE 33 2HG1 ILE 33 -0.443 1.787 -10.940 88 1HG2 ILE 33 1HG2 ILE 33 -1.823 -0.560 -8.611 89 2HG2 ILE 33 2HG2 ILE 33 -1.983 -1.608 -10.010 90 3HG2 ILE 33 3HG2 ILE 33 -0.735 -1.937 -8.791 91 1HD1 ILE 33 1HD1 ILE 33 -2.697 -0.152 -11.526 92 2HD1 ILE 33 2HD1 ILE 33 -2.508 1.493 -12.151 93 3HD1 ILE 33 3HD1 ILE 33 -1.331 0.240 -12.587 94 H SER 34 H SER 34 1.001 2.686 -9.357 95 HA SER 34 HA SER 34 2.477 3.243 -11.552 96 1HB SER 34 1HB SER 34 1.390 4.793 -9.772 97 2HB SER 34 2HB SER 34 2.967 4.741 -8.954 98 HG SER 34 HG SER 34 2.645 6.491 -10.498 99 H CYS 35 H CYS 35 3.802 2.161 -8.398 100 HA CYS 35 HA CYS 35 6.449 1.778 -9.755 101 1HB CYS 35 1HB CYS 35 6.212 2.180 -6.778 102 2HB CYS 35 2HB CYS 35 7.624 2.260 -7.801 103 H HIS 36 H HIS 36 4.090 0.447 -7.351 104 HA HIS 36 HA HIS 36 5.687 -1.937 -6.994 105 1HB HIS 36 1HB HIS 36 2.878 -1.174 -6.214 106 2HB HIS 36 2HB HIS 36 3.608 -2.748 -5.824 107 HD1 HIS 36 1HD HIS 36 5.792 -2.714 -4.149 108 HD2 HIS 36 2HD HIS 36 3.653 0.904 -4.691 109 HE1 HIS 36 1HE HIS 36 6.493 -1.136 -2.283 110 H GLY 37 H GLY 37 3.556 -1.072 -9.570 111 1HA GLY 37 1HA GLY 37 3.337 -2.286 -11.525 112 2HA GLY 37 2HA GLY 37 3.848 -3.783 -10.725 113 H GLY 38 H GLY 38 1.553 -3.512 -12.415 114 1HA GLY 38 1HA GLY 38 -0.914 -2.935 -11.497 115 2HA GLY 38 2HA GLY 38 -0.587 -4.336 -12.513 116 H ASP 39 H ASP 39 0.513 -6.210 -11.091 117 HA ASP 39 HA ASP 39 -1.569 -7.052 -9.266 118 1HB ASP 39 1HB ASP 39 1.010 -8.403 -10.137 119 2HB ASP 39 2HB ASP 39 -0.350 -9.178 -9.307 120 H LEU 40 H LEU 40 0.972 -5.028 -8.630 121 HA LEU 40 HA LEU 40 2.151 -4.408 -6.827 122 1HB LEU 40 1HB LEU 40 0.056 -5.973 -5.268 123 2HB LEU 40 2HB LEU 40 1.124 -4.748 -4.625 124 HG LEU 40 HG LEU 40 -0.505 -3.937 -7.050 125 1HD1 LEU 40 1HD1 LEU 40 -1.726 -4.287 -4.299 126 2HD1 LEU 40 2HD1 LEU 40 -2.403 -3.308 -5.623 127 3HD1 LEU 40 3HD1 LEU 40 -2.222 -5.062 -5.823 128 1HD2 LEU 40 1HD2 LEU 40 -0.304 -1.812 -6.095 129 2HD2 LEU 40 2HD2 LEU 40 0.098 -2.498 -4.488 130 3HD2 LEU 40 3HD2 LEU 40 1.255 -2.579 -5.812 131 H THR 41 H THR 41 2.787 -6.896 -8.233 132 HA THR 41 HA THR 41 4.097 -8.712 -6.435 133 HB THR 41 HB THR 41 4.868 -9.466 -8.843 134 HG1 THR 41 1HG THR 41 3.416 -8.544 -10.428 135 1HG2 THR 41 1HG2 THR 41 1.914 -9.374 -8.057 136 2HG2 THR 41 2HG2 THR 41 2.606 -10.431 -9.304 137 3HG2 THR 41 3HG2 THR 41 3.086 -10.622 -7.606 138 H GLY 42 H GLY 42 4.908 -5.567 -7.641 139 1HA GLY 42 1HA GLY 42 6.703 -4.488 -6.712 140 2HA GLY 42 2HA GLY 42 7.603 -6.000 -6.516 141 H ALA 43 H ALA 43 6.423 -3.709 -8.970 142 HA ALA 43 HA ALA 43 8.305 -4.666 -10.998 143 1HB ALA 43 1HB ALA 43 6.451 -2.254 -10.927 144 2HB ALA 43 2HB ALA 43 7.453 -2.734 -12.312 145 3HB ALA 43 3HB ALA 43 6.182 -3.816 -11.712 146 H SER 44 H SER 44 7.975 -1.341 -9.748 147 HA SER 44 HA SER 44 10.897 -0.896 -10.004 148 1HB SER 44 1HB SER 44 8.931 0.564 -11.058 149 2HB SER 44 2HB SER 44 8.860 1.254 -9.432 150 HG SER 44 HG SER 44 11.163 1.106 -11.101 151 H ALA 45 H ALA 45 8.944 -2.067 -7.680 152 HA ALA 45 HA ALA 45 10.315 -0.903 -5.345 153 1HB ALA 45 1HB ALA 45 8.272 0.496 -5.769 154 2HB ALA 45 2HB ALA 45 7.297 -0.973 -5.815 155 3HB ALA 45 3HB ALA 45 8.088 -0.492 -4.310 156 HA PRO 46 HA PRO 46 9.944 -5.240 -4.372 157 1HB PRO 46 1HB PRO 46 9.306 -5.361 -1.681 158 2HB PRO 46 2HB PRO 46 10.923 -4.930 -2.308 159 1HG PRO 46 1HG PRO 46 8.701 -3.054 -1.480 160 2HG PRO 46 2HG PRO 46 10.418 -3.003 -0.976 161 1HD PRO 46 1HD PRO 46 9.499 -1.440 -2.980 162 2HD PRO 46 2HD PRO 46 11.090 -2.225 -3.152 163 H ALA 47 H ALA 47 8.410 -6.927 -3.765 164 HA ALA 47 HA ALA 47 5.747 -6.457 -4.707 165 1HB ALA 47 1HB ALA 47 6.787 -8.798 -3.039 166 2HB ALA 47 2HB ALA 47 5.378 -8.780 -4.117 167 3HB ALA 47 3HB ALA 47 7.017 -8.669 -4.789 168 H ILE 48 H ILE 48 4.024 -5.693 -3.570 169 HA ILE 48 HA ILE 48 4.121 -5.978 -0.609 170 HB ILE 48 HB ILE 48 3.154 -3.848 -0.168 171 1HG1 ILE 48 1HG1 ILE 48 3.302 -2.058 -1.985 172 2HG1 ILE 48 2HG1 ILE 48 3.299 -3.364 -3.152 173 1HG2 ILE 48 1HG2 ILE 48 5.601 -4.144 -0.184 174 2HG2 ILE 48 2HG2 ILE 48 5.642 -3.593 -1.871 175 3HG2 ILE 48 3HG2 ILE 48 5.114 -2.493 -0.593 176 1HD1 ILE 48 1HD1 ILE 48 1.003 -3.968 -2.372 177 2HD1 ILE 48 2HD1 ILE 48 1.187 -2.905 -0.957 178 3HD1 ILE 48 3HD1 ILE 48 1.071 -2.203 -2.567 179 H ASP 49 H ASP 49 2.513 -6.959 -3.341 180 HA ASP 49 HA ASP 49 -0.147 -7.222 -2.641 181 1HB ASP 49 1HB ASP 49 -0.066 -9.323 -3.785 182 2HB ASP 49 2HB ASP 49 1.069 -8.258 -4.617 183 H LYS 50 H LYS 50 2.635 -8.950 -1.312 184 HA LYS 50 HA LYS 50 0.962 -10.366 0.661 185 1HB LYS 50 1HB LYS 50 3.303 -11.048 -0.862 186 2HB LYS 50 2HB LYS 50 3.795 -11.015 0.831 187 1HG LYS 50 1HG LYS 50 3.013 -13.216 0.463 188 2HG LYS 50 2HG LYS 50 1.719 -12.383 1.347 189 1HD LYS 50 1HD LYS 50 1.029 -11.844 -1.300 190 2HD LYS 50 2HD LYS 50 1.811 -13.397 -1.501 191 1HE LYS 50 1HE LYS 50 -0.597 -12.651 0.217 192 2HE LYS 50 2HE LYS 50 -0.600 -13.722 -1.181 193 1HZ LYS 50 1HZ LYS 50 -0.691 -14.696 1.107 194 2HZ LYS 50 2HZ LYS 50 0.447 -15.396 0.104 195 3HZ LYS 50 3HZ LYS 50 0.855 -14.329 1.307 196 H ALA 51 H ALA 51 2.207 -7.376 0.728 197 HA ALA 51 HA ALA 51 3.827 -7.289 3.040 198 1HB ALA 51 1HB ALA 51 3.280 -4.932 3.122 199 2HB ALA 51 2HB ALA 51 3.540 -5.457 1.442 200 3HB ALA 51 3HB ALA 51 1.891 -5.175 2.050 201 H GLY 52 H GLY 52 0.280 -7.629 2.711 202 1HA GLY 52 1HA GLY 52 -0.345 -7.079 5.440 203 2HA GLY 52 2HA GLY 52 -1.288 -8.090 4.316 204 H ALA 53 H ALA 53 1.032 -9.954 3.889 205 HA ALA 53 HA ALA 53 0.564 -11.686 6.222 206 1HB ALA 53 1HB ALA 53 1.936 -13.289 5.030 207 2HB ALA 53 2HB ALA 53 0.725 -12.626 3.916 208 3HB ALA 53 3HB ALA 53 2.413 -12.076 3.831 209 H ASN 54 H ASN 54 3.200 -9.805 4.730 210 HA ASN 54 HA ASN 54 5.200 -10.686 6.626 211 1HB ASN 54 1HB ASN 54 5.204 -8.294 4.744 212 2HB ASN 54 2HB ASN 54 6.612 -8.930 5.601 213 1HD2 ASN 54 1HD2 ASN 54 5.954 -8.704 2.616 214 2HD2 ASN 54 2HD2 ASN 54 6.241 -10.332 2.029 215 H TYR 55 H TYR 55 3.187 -7.786 6.382 216 HA TYR 55 HA TYR 55 4.228 -6.668 8.938 217 1HB TYR 55 1HB TYR 55 3.399 -5.103 6.474 218 2HB TYR 55 2HB TYR 55 4.108 -4.472 7.950 219 HD1 TYR 55 1HD TYR 55 4.948 -4.010 5.023 220 HD2 TYR 55 2HD TYR 55 6.444 -6.488 8.216 221 HE1 TYR 55 1HE TYR 55 7.214 -3.920 4.039 222 HE2 TYR 55 2HE TYR 55 8.691 -6.455 7.182 223 HH TYR 55 HH TYR 55 9.417 -4.578 4.212 224 H SER 56 H SER 56 2.608 -5.151 9.885 225 HA SER 56 HA SER 56 -0.193 -6.129 9.405 226 1HB SER 56 1HB SER 56 1.048 -4.644 11.741 227 2HB SER 56 2HB SER 56 -0.662 -5.128 11.613 228 HG SER 56 HG SER 56 0.682 -6.639 12.747 229 H GLU 57 H GLU 57 -1.963 -4.555 9.628 230 HA GLU 57 HA GLU 57 -1.912 -2.595 7.659 231 1HB GLU 57 1HB GLU 57 -3.941 -1.641 8.872 232 2HB GLU 57 2HB GLU 57 -4.072 -3.275 8.270 233 1HG GLU 57 1HG GLU 57 -3.292 -2.842 11.174 234 2HG GLU 57 2HG GLU 57 -4.956 -2.665 10.635 235 H GLU 58 H GLU 58 -1.388 -2.114 11.172 236 HA GLU 58 HA GLU 58 -1.040 0.640 11.240 237 1HB GLU 58 1HB GLU 58 0.454 0.191 13.207 238 2HB GLU 58 2HB GLU 58 -1.120 -0.604 13.258 239 1HG GLU 58 1HG GLU 58 -0.021 -2.744 12.478 240 2HG GLU 58 2HG GLU 58 1.541 -1.911 12.620 241 H GLU 59 H GLU 59 1.442 -1.797 10.361 242 HA GLU 59 HA GLU 59 3.591 0.091 10.070 243 1HB GLU 59 1HB GLU 59 3.187 -2.686 8.876 244 2HB GLU 59 2HB GLU 59 4.725 -1.852 8.967 245 1HG GLU 59 1HG GLU 59 4.504 -1.791 11.484 246 2HG GLU 59 2HG GLU 59 3.044 -2.787 11.326 247 H ILE 60 H ILE 60 1.406 -1.543 7.770 248 HA ILE 60 HA ILE 60 2.608 -0.439 5.409 249 HB ILE 60 HB ILE 60 -0.231 -1.403 5.816 250 1HG1 ILE 60 1HG1 ILE 60 2.182 -2.986 4.810 251 2HG1 ILE 60 2HG1 ILE 60 1.582 -3.079 6.458 252 1HG2 ILE 60 1HG2 ILE 60 0.956 -1.894 3.163 253 2HG2 ILE 60 2HG2 ILE 60 -0.607 -1.196 3.603 254 3HG2 ILE 60 3HG2 ILE 60 0.843 -0.178 3.529 255 1HD1 ILE 60 1HD1 ILE 60 0.686 -4.933 5.355 256 2HD1 ILE 60 2HD1 ILE 60 -0.658 -3.802 5.585 257 3HD1 ILE 60 3HD1 ILE 60 0.118 -3.961 3.988 258 H LEU 61 H LEU 61 -0.186 0.540 7.372 259 HA LEU 61 HA LEU 61 -1.045 2.869 6.117 260 1HB LEU 61 1HB LEU 61 -2.041 1.749 8.121 261 2HB LEU 61 2HB LEU 61 -0.745 2.359 9.115 262 HG LEU 61 HG LEU 61 -1.420 4.702 8.520 263 1HD1 LEU 61 1HD1 LEU 61 -3.784 3.238 7.307 264 2HD1 LEU 61 2HD1 LEU 61 -3.762 4.987 7.634 265 3HD1 LEU 61 3HD1 LEU 61 -2.653 4.291 6.448 266 1HD2 LEU 61 1HD2 LEU 61 -2.093 3.693 10.641 267 2HD2 LEU 61 2HD2 LEU 61 -3.394 4.720 10.010 268 3HD2 LEU 61 3HD2 LEU 61 -3.512 2.951 9.866 269 H ASP 62 H ASP 62 1.445 2.501 8.705 270 HA ASP 62 HA ASP 62 2.154 5.222 8.798 271 1HB ASP 62 1HB ASP 62 2.888 3.498 10.453 272 2HB ASP 62 2HB ASP 62 4.034 2.868 9.261 273 H ILE 63 H ILE 63 3.456 2.563 6.796 274 HA ILE 63 HA ILE 63 5.499 4.166 5.535 275 HB ILE 63 HB ILE 63 4.147 1.528 4.899 276 1HG1 ILE 63 1HG1 ILE 63 6.651 0.901 4.548 277 2HG1 ILE 63 2HG1 ILE 63 7.018 2.447 5.316 278 1HG2 ILE 63 1HG2 ILE 63 5.525 1.416 2.780 279 2HG2 ILE 63 2HG2 ILE 63 4.072 2.388 2.710 280 3HG2 ILE 63 3HG2 ILE 63 5.690 3.157 2.851 281 1HD1 ILE 63 1HD1 ILE 63 5.760 1.652 7.330 282 2HD1 ILE 63 2HD1 ILE 63 5.378 0.138 6.458 283 3HD1 ILE 63 3HD1 ILE 63 7.054 0.524 6.875 284 H ILE 64 H ILE 64 2.079 3.557 4.585 285 HA ILE 64 HA ILE 64 2.286 4.975 2.101 286 HB ILE 64 HB ILE 64 -0.058 4.473 3.966 287 1HG1 ILE 64 1HG1 ILE 64 0.452 3.092 1.329 288 2HG1 ILE 64 2HG1 ILE 64 1.355 2.544 2.740 289 1HG2 ILE 64 1HG2 ILE 64 0.054 5.614 1.157 290 2HG2 ILE 64 2HG2 ILE 64 -1.384 4.797 1.801 291 3HG2 ILE 64 3HG2 ILE 64 -0.769 6.265 2.586 292 1HD1 ILE 64 1HD1 ILE 64 -0.652 1.239 2.566 293 2HD1 ILE 64 2HD1 ILE 64 -0.746 2.231 4.014 294 3HD1 ILE 64 3HD1 ILE 64 -1.676 2.700 2.588 295 H LEU 65 H LEU 65 1.358 6.019 5.379 296 HA LEU 65 HA LEU 65 0.744 8.702 4.616 297 1HB LEU 65 1HB LEU 65 1.453 7.416 7.272 298 2HB LEU 65 2HB LEU 65 0.887 9.080 7.128 299 HG LEU 65 HG LEU 65 -0.828 6.686 6.224 300 1HD1 LEU 65 1HD1 LEU 65 -0.885 8.330 8.810 301 2HD1 LEU 65 2HD1 LEU 65 -1.997 7.020 8.366 302 3HD1 LEU 65 3HD1 LEU 65 -0.287 6.666 8.703 303 1HD2 LEU 65 1HD2 LEU 65 -1.402 8.751 5.175 304 2HD2 LEU 65 2HD2 LEU 65 -2.631 8.287 6.370 305 3HD2 LEU 65 3HD2 LEU 65 -1.493 9.590 6.752 306 H ASN 66 H ASN 66 3.692 7.158 5.738 307 HA ASN 66 HA ASN 66 5.180 9.654 6.199 308 1HB ASN 66 1HB ASN 66 5.751 6.685 6.601 309 2HB ASN 66 2HB ASN 66 6.994 7.870 6.767 310 1HD2 ASN 66 1HD2 ASN 66 3.812 7.006 7.980 311 2HD2 ASN 66 2HD2 ASN 66 4.205 7.279 9.639 312 H GLY 67 H GLY 67 5.167 6.934 3.948 313 1HA GLY 67 1HA GLY 67 6.167 6.942 1.765 314 2HA GLY 67 2HA GLY 67 7.440 8.026 2.355 315 H GLN 68 H GLN 68 8.605 6.103 1.342 316 HA GLN 68 HA GLN 68 9.750 4.503 3.486 317 1HB GLN 68 1HB GLN 68 8.283 2.615 2.490 318 2HB GLN 68 2HB GLN 68 8.711 3.200 0.913 319 1HG GLN 68 1HG GLN 68 9.733 1.179 1.642 320 2HG GLN 68 2HG GLN 68 10.921 2.398 1.123 321 1HE2 GLN 68 1HE2 GLN 68 9.538 0.478 3.778 322 2HE2 GLN 68 2HE2 GLN 68 10.962 0.673 4.779 323 H GLY 69 H GLY 69 12.087 3.964 2.617 324 1HA GLY 69 1HA GLY 69 13.585 5.983 1.947 325 2HA GLY 69 2HA GLY 69 13.939 4.385 1.285 326 H GLY 70 H GLY 70 12.836 3.889 -0.919 327 1HA GLY 70 1HA GLY 70 13.123 6.200 -2.717 328 2HA GLY 70 2HA GLY 70 12.960 4.500 -3.139 329 H MET 71 H MET 71 10.672 6.015 -0.932 330 HA MET 71 HA MET 71 8.559 6.079 -3.055 331 1HB MET 71 1HB MET 71 8.557 4.006 -1.803 332 2HB MET 71 2HB MET 71 8.585 4.889 -0.306 333 1HG MET 71 1HG MET 71 6.412 5.767 -0.587 334 2HG MET 71 2HG MET 71 6.220 5.078 -2.190 335 1HE MET 71 1HE MET 71 3.829 3.405 0.638 336 2HE MET 71 2HE MET 71 4.633 4.969 0.894 337 3HE MET 71 3HE MET 71 3.897 4.587 -0.680 338 HA PRO 72 HA PRO 72 7.925 10.055 -0.887 339 1HB PRO 72 1HB PRO 72 5.810 11.021 -2.351 340 2HB PRO 72 2HB PRO 72 7.498 11.032 -2.938 341 1HG PRO 72 1HG PRO 72 5.327 9.038 -3.575 342 2HG PRO 72 2HG PRO 72 6.466 9.817 -4.705 343 1HD PRO 72 1HD PRO 72 6.832 7.302 -3.678 344 2HD PRO 72 2HD PRO 72 8.224 8.373 -4.061 345 H GLY 73 H GLY 73 6.126 10.973 0.459 346 1HA GLY 73 1HA GLY 73 4.476 8.784 1.610 347 2HA GLY 73 2HA GLY 73 5.284 10.106 2.483 348 H GLY 74 H GLY 74 2.452 9.286 2.215 349 1HA GLY 74 1HA GLY 74 0.516 10.579 2.556 350 2HA GLY 74 2HA GLY 74 1.339 12.029 1.934 351 H ILE 75 H ILE 75 1.692 9.213 -0.008 352 HA ILE 75 HA ILE 75 0.317 10.106 -2.303 353 HB ILE 75 HB ILE 75 0.932 7.326 -1.229 354 1HG1 ILE 75 1HG1 ILE 75 2.377 8.696 -3.516 355 2HG1 ILE 75 2HG1 ILE 75 2.837 9.075 -1.852 356 1HG2 ILE 75 1HG2 ILE 75 0.676 6.599 -3.649 357 2HG2 ILE 75 2HG2 ILE 75 -0.830 7.055 -2.859 358 3HG2 ILE 75 3HG2 ILE 75 -0.041 8.178 -3.990 359 1HD1 ILE 75 1HD1 ILE 75 2.758 6.264 -2.981 360 2HD1 ILE 75 2HD1 ILE 75 4.214 7.232 -2.754 361 3HD1 ILE 75 3HD1 ILE 75 3.255 6.735 -1.347 362 H ALA 76 H ALA 76 -0.773 8.296 0.584 363 HA ALA 76 HA ALA 76 -3.584 8.939 -0.071 364 1HB ALA 76 1HB ALA 76 -2.793 6.350 1.288 365 2HB ALA 76 2HB ALA 76 -4.307 6.721 0.505 366 3HB ALA 76 3HB ALA 76 -2.878 6.396 -0.483 367 H LYS 77 H LYS 77 -4.635 9.681 1.861 368 HA LYS 77 HA LYS 77 -3.295 9.360 4.416 369 1HB LYS 77 1HB LYS 77 -3.826 12.027 3.053 370 2HB LYS 77 2HB LYS 77 -3.840 11.876 4.797 371 1HG LYS 77 1HG LYS 77 -1.444 10.601 3.810 372 2HG LYS 77 2HG LYS 77 -1.562 12.171 3.031 373 1HD LYS 77 1HD LYS 77 -1.374 13.310 5.125 374 2HD LYS 77 2HD LYS 77 -1.996 11.915 6.006 375 1HE LYS 77 1HE LYS 77 0.238 11.936 6.664 376 2HE LYS 77 2HE LYS 77 0.101 10.643 5.485 377 1HZ LYS 77 1HZ LYS 77 0.974 12.339 3.858 378 2HZ LYS 77 2HZ LYS 77 1.449 13.199 5.180 379 3HZ LYS 77 3HZ LYS 77 2.001 11.653 4.943 380 H GLY 78 H GLY 78 -4.709 9.831 6.197 381 1HA GLY 78 1HA GLY 78 -6.641 9.355 7.305 382 2HA GLY 78 2HA GLY 78 -7.455 10.330 6.067 383 H ALA 79 H ALA 79 -9.241 9.065 5.786 384 HA ALA 79 HA ALA 79 -9.721 6.439 5.754 385 1HB ALA 79 1HB ALA 79 -11.441 8.128 5.357 386 2HB ALA 79 2HB ALA 79 -10.814 8.414 3.714 387 3HB ALA 79 3HB ALA 79 -11.530 6.844 4.137 388 H GLU 80 H GLU 80 -8.067 8.156 3.119 389 HA GLU 80 HA GLU 80 -8.173 6.060 1.204 390 1HB GLU 80 1HB GLU 80 -7.517 8.647 1.146 391 2HB GLU 80 2HB GLU 80 -5.887 8.049 1.328 392 1HG GLU 80 1HG GLU 80 -5.870 7.266 -0.890 393 2HG GLU 80 2HG GLU 80 -7.536 6.725 -0.802 394 H ALA 81 H ALA 81 -5.564 6.979 3.610 395 HA ALA 81 HA ALA 81 -3.911 4.733 2.860 396 1HB ALA 81 1HB ALA 81 -3.098 6.923 3.801 397 2HB ALA 81 2HB ALA 81 -3.788 6.446 5.365 398 3HB ALA 81 3HB ALA 81 -2.480 5.489 4.615 399 H GLU 82 H GLU 82 -6.312 5.438 5.430 400 HA GLU 82 HA GLU 82 -5.927 3.100 7.013 401 1HB GLU 82 1HB GLU 82 -8.398 4.773 6.475 402 2HB GLU 82 2HB GLU 82 -8.267 3.554 7.744 403 1HG GLU 82 1HG GLU 82 -6.535 4.772 8.885 404 2HG GLU 82 2HG GLU 82 -6.350 5.926 7.562 405 H ALA 83 H ALA 83 -8.219 3.704 4.317 406 HA ALA 83 HA ALA 83 -9.334 1.116 4.213 407 1HB ALA 83 1HB ALA 83 -10.051 1.728 1.953 408 2HB ALA 83 2HB ALA 83 -10.289 3.076 3.061 409 3HB ALA 83 3HB ALA 83 -8.917 3.094 1.926 410 H VAL 84 H VAL 84 -6.538 2.517 2.362 411 HA VAL 84 HA VAL 84 -5.736 0.159 1.047 412 HB VAL 84 HB VAL 84 -3.996 2.362 2.239 413 1HG1 VAL 84 1HG1 VAL 84 -2.239 1.315 0.734 414 2HG1 VAL 84 2HG1 VAL 84 -2.612 0.375 2.176 415 3HG1 VAL 84 3HG1 VAL 84 -3.284 -0.116 0.631 416 1HG2 VAL 84 1HG2 VAL 84 -5.204 3.214 0.342 417 2HG2 VAL 84 2HG2 VAL 84 -3.582 2.790 -0.231 418 3HG2 VAL 84 3HG2 VAL 84 -4.967 1.720 -0.559 419 H ALA 85 H ALA 85 -4.544 1.270 4.262 420 HA ALA 85 HA ALA 85 -2.864 -0.860 4.805 421 1HB ALA 85 1HB ALA 85 -2.976 1.211 6.085 422 2HB ALA 85 2HB ALA 85 -4.551 0.748 6.771 423 3HB ALA 85 3HB ALA 85 -3.104 -0.205 7.149 424 H ALA 86 H ALA 86 -6.335 -0.589 5.766 425 HA ALA 86 HA ALA 86 -6.508 -3.144 7.012 426 1HB ALA 86 1HB ALA 86 -8.657 -1.545 5.551 427 2HB ALA 86 2HB ALA 86 -8.941 -2.906 6.658 428 3HB ALA 86 3HB ALA 86 -8.218 -1.403 7.266 429 H TRP 87 H TRP 87 -7.357 -2.177 3.643 430 HA TRP 87 HA TRP 87 -8.129 -4.750 2.719 431 1HB TRP 87 1HB TRP 87 -8.705 -2.726 1.590 432 2HB TRP 87 2HB TRP 87 -6.982 -2.308 1.411 433 HD1 TRP 87 HD TRP 87 -9.622 -4.521 -0.271 434 HE1 TRP 87 1HE TRP 87 -8.646 -5.472 -2.432 435 HE3 TRP 87 3HE TRP 87 -4.969 -2.382 -0.068 436 HZ2 TRP 87 2HZ TRP 87 -5.025 -5.304 -2.523 437 HZ3 TRP 87 3HZ TRP 87 -3.604 -2.484 -2.162 438 HH2 TRP 87 HH TRP 87 -4.433 -3.619 -4.161 439 H LEU 88 H LEU 88 -4.943 -3.177 2.880 440 HA LEU 88 HA LEU 88 -3.612 -5.174 1.318 441 1HB LEU 88 1HB LEU 88 -2.967 -2.612 2.058 442 2HB LEU 88 2HB LEU 88 -1.957 -3.535 3.141 443 HG LEU 88 HG LEU 88 -0.996 -2.857 0.977 444 1HD1 LEU 88 1HD1 LEU 88 -0.470 -5.210 2.207 445 2HD1 LEU 88 2HD1 LEU 88 -1.036 -5.828 0.635 446 3HD1 LEU 88 3HD1 LEU 88 0.286 -4.631 0.710 447 1HD2 LEU 88 1HD2 LEU 88 -2.673 -2.730 -0.357 448 2HD2 LEU 88 2HD2 LEU 88 -1.403 -3.702 -1.117 449 3HD2 LEU 88 3HD2 LEU 88 -2.881 -4.509 -0.557 450 H ALA 89 H ALA 89 -3.898 -4.497 4.795 451 HA ALA 89 HA ALA 89 -2.449 -6.733 5.794 452 1HB ALA 89 1HB ALA 89 -4.801 -5.246 6.986 453 2HB ALA 89 2HB ALA 89 -3.768 -6.411 7.841 454 3HB ALA 89 3HB ALA 89 -3.061 -4.917 7.207 455 H GLU 90 H GLU 90 -5.777 -6.408 4.590 456 HA GLU 90 HA GLU 90 -6.571 -9.111 5.223 457 1HB GLU 90 1HB GLU 90 -8.165 -7.382 5.006 458 2HB GLU 90 2HB GLU 90 -7.622 -6.917 3.414 459 1HG GLU 90 1HG GLU 90 -8.627 -9.731 3.633 460 2HG GLU 90 2HG GLU 90 -9.800 -8.427 3.818 461 H LYS 91 H LYS 91 -4.555 -7.765 2.724 462 HA LYS 91 HA LYS 91 -5.482 -9.204 0.719 463 1HB LYS 91 1HB LYS 91 -4.199 -7.067 0.673 464 2HB LYS 91 2HB LYS 91 -2.700 -7.993 0.680 465 1HG LYS 91 1HG LYS 91 -3.389 -7.144 -1.534 466 2HG LYS 91 2HG LYS 91 -3.262 -8.894 -1.563 467 1HD LYS 91 1HD LYS 91 -5.895 -7.479 -0.977 468 2HD LYS 91 2HD LYS 91 -5.360 -7.713 -2.644 469 1HE LYS 91 1HE LYS 91 -5.739 -9.958 -2.668 470 2HE LYS 91 2HE LYS 91 -5.272 -10.224 -1.007 471 1HZ LYS 91 1HZ LYS 91 -7.390 -9.292 -0.290 472 2HZ LYS 91 2HZ LYS 91 -7.844 -8.989 -1.826 473 3HZ LYS 91 3HZ LYS 91 -7.645 -10.536 -1.298 474 H LYS 92 H LYS 92 -4.505 -11.146 2.748 475 HA LYS 92 HA LYS 92 -1.684 -11.567 1.987 476 1HB LYS 92 1HB LYS 92 -1.373 -11.634 4.268 477 2HB LYS 92 2HB LYS 92 -2.456 -10.282 3.777 478 1HG LYS 92 1HG LYS 92 -4.350 -11.271 4.767 479 2HG LYS 92 2HG LYS 92 -3.623 -12.882 4.878 480 1HD LYS 92 1HD LYS 92 -2.200 -12.271 6.672 481 2HD LYS 92 2HD LYS 92 -2.398 -10.555 6.341 482 1HE LYS 92 1HE LYS 92 -5.026 -11.566 6.917 483 2HE LYS 92 2HE LYS 92 -3.945 -12.230 8.147 484 1HZ LYS 92 1HZ LYS 92 -4.145 -9.404 7.382 485 2HZ LYS 92 2HZ LYS 92 -4.858 -10.038 8.726 486 3HZ LYS 92 3HZ LYS 92 -3.210 -9.971 8.603 487 HHA HEC 93 HHA HEC 93 8.587 -0.170 0.416 488 HHB HEC 93 HHB HEC 93 2.149 -0.016 0.686 489 HHC HEC 93 HHC HEC 93 2.335 4.321 -4.083 490 HHD HEC 93 HHD HEC 93 8.563 3.165 -4.946 491 1HMA HEC 93 1HMA HEC 93 3.155 -0.707 2.861 492 2HMA HEC 93 2HMA HEC 93 3.515 -2.276 2.094 493 3HMA HEC 93 3HMA HEC 93 4.558 -1.640 3.381 494 1HAA HEC 93 1HAA HEC 93 6.819 -1.698 3.194 495 2HAA HEC 93 2HAA HEC 93 7.921 -0.537 2.560 496 1HBA HEC 93 1HBA HEC 93 7.944 -2.118 0.510 497 2HBA HEC 93 2HBA HEC 93 7.322 -3.349 1.617 498 1HMB HEC 93 1HMB HEC 93 0.081 -0.117 -0.974 499 2HMB HEC 93 2HMB HEC 93 -0.013 1.003 0.390 500 3HMB HEC 93 3HMB HEC 93 -0.914 1.333 -1.109 501 HAB HEC 93 HAB HEC 93 0.444 4.348 -3.255 502 1HBB HEC 93 1HBB HEC 93 -1.538 4.766 -1.913 503 2HBB HEC 93 2HBB HEC 93 -1.047 3.520 -0.755 504 3HBB HEC 93 3HBB HEC 93 -0.029 4.950 -0.997 505 1HMC HEC 93 1HMC HEC 93 3.337 6.151 -5.434 506 2HMC HEC 93 2HMC HEC 93 4.347 5.860 -6.859 507 3HMC HEC 93 3HMC HEC 93 3.076 4.713 -6.444 508 HAC HEC 93 HAC HEC 93 7.986 4.500 -6.429 509 1HBC HEC 93 1HBC HEC 93 7.584 6.720 -7.455 510 2HBC HEC 93 2HBC HEC 93 6.197 6.932 -6.364 511 3HBC HEC 93 3HBC HEC 93 7.827 6.695 -5.707 512 1HMD HEC 93 1HMD HEC 93 11.255 0.758 -4.000 513 2HMD HEC 93 2HMD HEC 93 10.195 1.699 -5.045 514 3HMD HEC 93 3HMD HEC 93 11.237 2.531 -3.863 515 1HAD HEC 93 1HAD HEC 93 10.942 -0.656 -1.221 516 2HAD HEC 93 2HAD HEC 93 10.534 0.317 0.026 517 1HBD HEC 93 1HBD HEC 93 12.497 1.271 -0.030 518 2HBD HEC 93 2HBD HEC 93 11.583 2.345 -1.018 Start of MODEL 13 1 1H VAL 22 1H VAL 22 -14.016 3.990 0.627 2 2H VAL 22 2H VAL 22 -12.632 4.235 1.494 3 3H VAL 22 3H VAL 22 -13.689 5.522 1.231 4 HA VAL 22 HA VAL 22 -13.375 5.136 -1.126 5 HB VAL 22 HB VAL 22 -10.683 5.659 0.219 6 1HG1 VAL 22 1HG1 VAL 22 -10.369 7.028 -1.859 7 2HG1 VAL 22 2HG1 VAL 22 -10.635 5.330 -2.238 8 3HG1 VAL 22 3HG1 VAL 22 -11.951 6.504 -2.438 9 1HG2 VAL 22 1HG2 VAL 22 -13.069 7.509 -0.242 10 2HG2 VAL 22 2HG2 VAL 22 -12.251 7.153 1.302 11 3HG2 VAL 22 3HG2 VAL 22 -11.423 8.087 0.057 12 H ASP 23 H ASP 23 -13.010 3.595 -2.392 13 HA ASP 23 HA ASP 23 -12.687 1.046 -1.714 14 1HB ASP 23 1HB ASP 23 -12.260 2.313 -4.451 15 2HB ASP 23 2HB ASP 23 -12.678 0.616 -4.170 16 H ALA 24 H ALA 24 -10.890 0.557 -0.598 17 HA ALA 24 HA ALA 24 -8.405 1.462 -0.708 18 1HB ALA 24 1HB ALA 24 -9.288 -0.122 0.990 19 2HB ALA 24 2HB ALA 24 -9.138 -1.431 -0.189 20 3HB ALA 24 3HB ALA 24 -7.680 -0.569 0.382 21 H GLU 25 H GLU 25 -9.471 -1.450 -2.510 22 HA GLU 25 HA GLU 25 -6.936 -1.876 -3.695 23 1HB GLU 25 1HB GLU 25 -7.815 -3.637 -4.786 24 2HB GLU 25 2HB GLU 25 -9.062 -3.452 -3.544 25 1HG GLU 25 1HG GLU 25 -10.429 -2.173 -5.139 26 2HG GLU 25 2HG GLU 25 -9.194 -2.484 -6.416 27 H ALA 26 H ALA 26 -9.767 0.061 -4.785 28 HA ALA 26 HA ALA 26 -8.779 0.679 -7.372 29 1HB ALA 26 1HB ALA 26 -10.346 2.450 -7.435 30 2HB ALA 26 2HB ALA 26 -11.121 1.132 -6.530 31 3HB ALA 26 3HB ALA 26 -10.445 2.549 -5.677 32 H VAL 27 H VAL 27 -8.360 2.320 -4.206 33 HA VAL 27 HA VAL 27 -6.564 4.420 -5.068 34 HB VAL 27 HB VAL 27 -6.348 2.873 -2.445 35 1HG1 VAL 27 1HG1 VAL 27 -4.450 4.389 -3.031 36 2HG1 VAL 27 2HG1 VAL 27 -5.608 5.733 -3.159 37 3HG1 VAL 27 3HG1 VAL 27 -5.352 4.904 -1.609 38 1HG2 VAL 27 1HG2 VAL 27 -8.234 5.109 -3.267 39 2HG2 VAL 27 2HG2 VAL 27 -8.609 3.588 -2.428 40 3HG2 VAL 27 3HG2 VAL 27 -7.750 4.862 -1.577 41 H VAL 28 H VAL 28 -5.608 0.987 -3.927 42 HA VAL 28 HA VAL 28 -3.019 1.889 -4.583 43 HB VAL 28 HB VAL 28 -4.229 -0.787 -4.018 44 1HG1 VAL 28 1HG1 VAL 28 -2.290 -1.941 -3.984 45 2HG1 VAL 28 2HG1 VAL 28 -1.762 -0.696 -5.095 46 3HG1 VAL 28 3HG1 VAL 28 -1.328 -0.613 -3.375 47 1HG2 VAL 28 1HG2 VAL 28 -2.770 -0.031 -1.749 48 2HG2 VAL 28 2HG2 VAL 28 -3.260 1.528 -2.380 49 3HG2 VAL 28 3HG2 VAL 28 -4.485 0.305 -2.027 50 H GLN 29 H GLN 29 -5.288 0.036 -6.346 51 HA GLN 29 HA GLN 29 -3.898 -0.547 -8.746 52 1HB GLN 29 1HB GLN 29 -6.837 -0.221 -8.054 53 2HB GLN 29 2HB GLN 29 -6.307 -0.780 -9.610 54 1HG GLN 29 1HG GLN 29 -5.615 -2.179 -6.998 55 2HG GLN 29 2HG GLN 29 -6.902 -2.645 -8.115 56 1HE2 GLN 29 1HE2 GLN 29 -4.086 -3.822 -7.196 57 2HE2 GLN 29 2HE2 GLN 29 -3.342 -4.239 -8.733 58 H GLN 30 H GLN 30 -4.599 2.563 -7.537 59 HA GLN 30 HA GLN 30 -3.707 3.467 -10.217 60 1HB GLN 30 1HB GLN 30 -6.265 4.060 -9.165 61 2HB GLN 30 2HB GLN 30 -5.312 5.507 -8.844 62 1HG GLN 30 1HG GLN 30 -4.495 5.214 -11.350 63 2HG GLN 30 2HG GLN 30 -5.892 4.138 -11.502 64 1HE2 GLN 30 1HE2 GLN 30 -7.735 5.625 -9.824 65 2HE2 GLN 30 2HE2 GLN 30 -8.048 7.148 -10.644 66 H LYS 31 H LYS 31 -3.115 3.620 -6.835 67 HA LYS 31 HA LYS 31 -1.441 6.060 -7.131 68 1HB LYS 31 1HB LYS 31 -3.379 5.146 -5.164 69 2HB LYS 31 2HB LYS 31 -1.861 5.253 -4.400 70 1HG LYS 31 1HG LYS 31 -2.622 7.342 -4.035 71 2HG LYS 31 2HG LYS 31 -1.817 7.690 -5.571 72 1HD LYS 31 1HD LYS 31 -3.990 7.569 -6.746 73 2HD LYS 31 2HD LYS 31 -4.748 6.825 -5.341 74 1HE LYS 31 1HE LYS 31 -5.546 9.009 -5.253 75 2HE LYS 31 2HE LYS 31 -4.325 8.907 -3.987 76 1HZ LYS 31 1HZ LYS 31 -2.779 9.979 -5.515 77 2HZ LYS 31 2HZ LYS 31 -3.971 10.112 -6.652 78 3HZ LYS 31 3HZ LYS 31 -4.101 10.908 -5.218 79 H CYS 32 H CYS 32 -1.224 2.589 -6.595 80 HA CYS 32 HA CYS 32 1.613 2.916 -5.698 81 1HB CYS 32 1HB CYS 32 0.065 0.426 -5.240 82 2HB CYS 32 2HB CYS 32 1.399 1.052 -4.314 83 H ILE 33 H ILE 33 -0.593 0.991 -7.734 84 HA ILE 33 HA ILE 33 1.226 -0.844 -8.708 85 HB ILE 33 HB ILE 33 -0.124 -0.949 -10.754 86 1HG1 ILE 33 1HG1 ILE 33 -1.936 1.211 -9.631 87 2HG1 ILE 33 2HG1 ILE 33 -0.678 1.576 -10.810 88 1HG2 ILE 33 1HG2 ILE 33 -0.757 -2.186 -8.716 89 2HG2 ILE 33 2HG2 ILE 33 -1.740 -0.838 -8.178 90 3HG2 ILE 33 3HG2 ILE 33 -2.178 -1.736 -9.647 91 1HD1 ILE 33 1HD1 ILE 33 -2.944 -0.378 -11.295 92 2HD1 ILE 33 2HD1 ILE 33 -2.735 1.239 -11.994 93 3HD1 ILE 33 3HD1 ILE 33 -1.595 -0.050 -12.403 94 H SER 34 H SER 34 1.007 2.566 -9.560 95 HA SER 34 HA SER 34 2.432 2.904 -11.808 96 1HB SER 34 1HB SER 34 2.947 4.434 -9.232 97 2HB SER 34 2HB SER 34 2.941 5.065 -10.890 98 HG SER 34 HG SER 34 0.683 4.625 -10.941 99 H CYS 35 H CYS 35 3.786 1.934 -8.630 100 HA CYS 35 HA CYS 35 6.440 1.534 -9.961 101 1HB CYS 35 1HB CYS 35 6.218 1.982 -6.982 102 2HB CYS 35 2HB CYS 35 7.602 2.107 -8.046 103 H HIS 36 H HIS 36 4.101 0.286 -7.513 104 HA HIS 36 HA HIS 36 5.654 -2.125 -7.109 105 1HB HIS 36 1HB HIS 36 2.885 -1.260 -6.270 106 2HB HIS 36 2HB HIS 36 3.587 -2.830 -5.852 107 HD1 HIS 36 1HD HIS 36 5.809 -2.795 -4.236 108 HD2 HIS 36 2HD HIS 36 3.722 0.841 -4.795 109 HE1 HIS 36 1HE HIS 36 6.526 -1.224 -2.367 110 H GLY 37 H GLY 37 3.531 -1.250 -9.683 111 1HA GLY 37 1HA GLY 37 3.237 -2.492 -11.603 112 2HA GLY 37 2HA GLY 37 3.716 -3.989 -10.782 113 H GLY 38 H GLY 38 1.361 -3.605 -12.444 114 1HA GLY 38 1HA GLY 38 -1.065 -2.996 -11.391 115 2HA GLY 38 2HA GLY 38 -0.806 -4.359 -12.477 116 H ASP 39 H ASP 39 0.392 -6.278 -11.112 117 HA ASP 39 HA ASP 39 -1.669 -7.180 -9.284 118 1HB ASP 39 1HB ASP 39 0.934 -8.493 -10.132 119 2HB ASP 39 2HB ASP 39 -0.446 -9.286 -9.356 120 H LEU 40 H LEU 40 0.911 -5.163 -8.687 121 HA LEU 40 HA LEU 40 2.079 -4.504 -6.894 122 1HB LEU 40 1HB LEU 40 0.041 -6.078 -5.285 123 2HB LEU 40 2HB LEU 40 1.072 -4.789 -4.696 124 HG LEU 40 HG LEU 40 -0.675 -4.166 -7.104 125 1HD1 LEU 40 1HD1 LEU 40 -2.238 -5.309 -5.683 126 2HD1 LEU 40 2HD1 LEU 40 -1.753 -4.322 -4.286 127 3HD1 LEU 40 3HD1 LEU 40 -2.536 -3.565 -5.700 128 1HD2 LEU 40 1HD2 LEU 40 1.068 -2.614 -6.105 129 2HD2 LEU 40 2HD2 LEU 40 -0.559 -1.981 -6.307 130 3HD2 LEU 40 3HD2 LEU 40 0.003 -2.492 -4.695 131 H THR 41 H THR 41 2.674 -7.056 -8.278 132 HA THR 41 HA THR 41 3.997 -8.835 -6.459 133 HB THR 41 HB THR 41 4.738 -9.646 -8.857 134 HG1 THR 41 1HG THR 41 3.255 -8.736 -10.441 135 1HG2 THR 41 1HG2 THR 41 2.456 -10.589 -9.278 136 2HG2 THR 41 2HG2 THR 41 2.950 -10.752 -7.581 137 3HG2 THR 41 3HG2 THR 41 1.791 -9.497 -8.046 138 H GLY 42 H GLY 42 4.818 -5.724 -7.736 139 1HA GLY 42 1HA GLY 42 6.622 -4.624 -6.859 140 2HA GLY 42 2HA GLY 42 7.522 -6.129 -6.626 141 H ALA 43 H ALA 43 6.484 -3.749 -9.036 142 HA ALA 43 HA ALA 43 8.275 -4.861 -11.102 143 1HB ALA 43 1HB ALA 43 7.432 -2.961 -12.462 144 2HB ALA 43 2HB ALA 43 6.155 -4.018 -11.828 145 3HB ALA 43 3HB ALA 43 6.437 -2.436 -11.087 146 H SER 44 H SER 44 7.984 -1.487 -9.968 147 HA SER 44 HA SER 44 10.933 -1.130 -10.150 148 1HB SER 44 1HB SER 44 9.407 0.395 -11.452 149 2HB SER 44 2HB SER 44 8.738 0.957 -9.905 150 HG SER 44 HG SER 44 10.992 1.431 -9.342 151 H ALA 45 H ALA 45 8.881 -2.150 -7.840 152 HA ALA 45 HA ALA 45 10.259 -0.949 -5.532 153 1HB ALA 45 1HB ALA 45 8.273 0.505 -5.996 154 2HB ALA 45 2HB ALA 45 7.241 -0.927 -6.007 155 3HB ALA 45 3HB ALA 45 8.055 -0.434 -4.513 156 HA PRO 46 HA PRO 46 9.924 -5.232 -4.508 157 1HB PRO 46 1HB PRO 46 9.317 -5.342 -1.804 158 2HB PRO 46 2HB PRO 46 10.916 -4.882 -2.458 159 1HG PRO 46 1HG PRO 46 8.656 -3.047 -1.640 160 2HG PRO 46 2HG PRO 46 10.373 -2.957 -1.137 161 1HD PRO 46 1HD PRO 46 9.435 -1.423 -3.149 162 2HD PRO 46 2HD PRO 46 11.024 -2.210 -3.337 163 H ALA 47 H ALA 47 8.447 -6.968 -3.824 164 HA ALA 47 HA ALA 47 5.775 -6.596 -4.787 165 1HB ALA 47 1HB ALA 47 7.097 -8.765 -4.832 166 2HB ALA 47 2HB ALA 47 6.889 -8.869 -3.078 167 3HB ALA 47 3HB ALA 47 5.470 -8.916 -4.141 168 H ILE 48 H ILE 48 4.053 -5.788 -3.682 169 HA ILE 48 HA ILE 48 4.093 -6.066 -0.721 170 HB ILE 48 HB ILE 48 3.119 -3.929 -0.308 171 1HG1 ILE 48 1HG1 ILE 48 3.319 -2.138 -2.112 172 2HG1 ILE 48 2HG1 ILE 48 3.306 -3.447 -3.284 173 1HG2 ILE 48 1HG2 ILE 48 5.093 -2.584 -0.699 174 2HG2 ILE 48 2HG2 ILE 48 5.574 -4.235 -0.288 175 3HG2 ILE 48 3HG2 ILE 48 5.634 -3.682 -1.974 176 1HD1 ILE 48 1HD1 ILE 48 1.081 -2.300 -2.774 177 2HD1 ILE 48 2HD1 ILE 48 1.001 -4.045 -2.455 178 3HD1 ILE 48 3HD1 ILE 48 1.189 -2.888 -1.117 179 H ASP 49 H ASP 49 2.584 -7.107 -3.457 180 HA ASP 49 HA ASP 49 -0.082 -7.420 -2.824 181 1HB ASP 49 1HB ASP 49 0.081 -9.566 -3.897 182 2HB ASP 49 2HB ASP 49 1.131 -8.441 -4.754 183 H LYS 50 H LYS 50 2.665 -9.070 -1.333 184 HA LYS 50 HA LYS 50 0.943 -10.325 0.762 185 1HB LYS 50 1HB LYS 50 3.508 -11.015 -0.582 186 2HB LYS 50 2HB LYS 50 3.510 -11.288 1.156 187 1HG LYS 50 1HG LYS 50 2.792 -13.275 0.040 188 2HG LYS 50 2HG LYS 50 1.463 -12.636 1.024 189 1HD LYS 50 1HD LYS 50 0.398 -11.630 -0.972 190 2HD LYS 50 2HD LYS 50 1.757 -12.139 -1.973 191 1HE LYS 50 1HE LYS 50 -0.101 -14.030 -0.445 192 2HE LYS 50 2HE LYS 50 -0.324 -13.553 -2.136 193 1HZ LYS 50 1HZ LYS 50 2.019 -14.970 -1.076 194 2HZ LYS 50 2HZ LYS 50 0.828 -15.619 -2.010 195 3HZ LYS 50 3HZ LYS 50 1.829 -14.463 -2.635 196 H ALA 51 H ALA 51 2.283 -7.389 0.580 197 HA ALA 51 HA ALA 51 3.915 -7.146 2.862 198 1HB ALA 51 1HB ALA 51 3.056 -4.761 2.864 199 2HB ALA 51 2HB ALA 51 3.731 -5.368 1.338 200 3HB ALA 51 3HB ALA 51 1.974 -5.233 1.563 201 H GLY 52 H GLY 52 0.363 -7.525 2.650 202 1HA GLY 52 1HA GLY 52 -0.232 -6.880 5.359 203 2HA GLY 52 2HA GLY 52 -1.161 -7.952 4.280 204 H ALA 53 H ALA 53 1.056 -9.856 3.892 205 HA ALA 53 HA ALA 53 0.718 -11.454 6.348 206 1HB ALA 53 1HB ALA 53 2.299 -13.009 5.095 207 2HB ALA 53 2HB ALA 53 0.711 -12.753 4.358 208 3HB ALA 53 3HB ALA 53 2.139 -11.930 3.700 209 H ASN 54 H ASN 54 3.305 -9.683 4.601 210 HA ASN 54 HA ASN 54 5.342 -10.460 6.483 211 1HB ASN 54 1HB ASN 54 5.267 -8.204 4.446 212 2HB ASN 54 2HB ASN 54 6.686 -8.653 5.394 213 1HD2 ASN 54 1HD2 ASN 54 8.011 -10.311 4.683 214 2HD2 ASN 54 2HD2 ASN 54 7.601 -11.329 3.312 215 H TYR 55 H TYR 55 3.191 -7.630 6.338 216 HA TYR 55 HA TYR 55 4.293 -6.582 8.885 217 1HB TYR 55 1HB TYR 55 3.403 -4.688 6.747 218 2HB TYR 55 2HB TYR 55 4.551 -4.429 8.045 219 HD1 TYR 55 1HD TYR 55 4.255 -4.456 4.652 220 HD2 TYR 55 2HD TYR 55 6.805 -6.059 7.716 221 HE1 TYR 55 1HE TYR 55 5.987 -4.952 2.936 222 HE2 TYR 55 2HE TYR 55 8.583 -6.449 6.026 223 HH TYR 55 HH TYR 55 9.219 -5.987 3.699 224 H SER 56 H SER 56 2.690 -5.179 9.965 225 HA SER 56 HA SER 56 -0.097 -6.106 9.454 226 1HB SER 56 1HB SER 56 1.278 -4.766 11.805 227 2HB SER 56 2HB SER 56 -0.480 -4.990 11.721 228 HG SER 56 HG SER 56 1.444 -7.050 11.400 229 H GLU 57 H GLU 57 -1.874 -4.534 9.787 230 HA GLU 57 HA GLU 57 -1.864 -2.664 7.736 231 1HB GLU 57 1HB GLU 57 -4.020 -1.921 8.572 232 2HB GLU 57 2HB GLU 57 -3.907 -3.654 8.592 233 1HG GLU 57 1HG GLU 57 -4.744 -3.555 10.637 234 2HG GLU 57 2HG GLU 57 -3.148 -3.075 11.204 235 H GLU 58 H GLU 58 -1.428 -2.022 11.234 236 HA GLU 58 HA GLU 58 -1.027 0.691 11.209 237 1HB GLU 58 1HB GLU 58 0.489 0.282 13.187 238 2HB GLU 58 2HB GLU 58 -1.120 -0.437 13.274 239 1HG GLU 58 1HG GLU 58 -0.193 -2.667 12.718 240 2HG GLU 58 2HG GLU 58 1.426 -1.952 12.587 241 H GLU 59 H GLU 59 1.463 -1.788 10.436 242 HA GLU 59 HA GLU 59 3.627 0.063 10.158 243 1HB GLU 59 1HB GLU 59 3.233 -2.694 8.899 244 2HB GLU 59 2HB GLU 59 4.763 -1.836 9.069 245 1HG GLU 59 1HG GLU 59 4.513 -1.904 11.554 246 2HG GLU 59 2HG GLU 59 3.027 -2.849 11.358 247 H ILE 60 H ILE 60 1.409 -1.494 7.841 248 HA ILE 60 HA ILE 60 2.604 -0.376 5.493 249 HB ILE 60 HB ILE 60 -0.199 -1.449 5.983 250 1HG1 ILE 60 1HG1 ILE 60 2.259 -2.755 4.728 251 2HG1 ILE 60 2HG1 ILE 60 1.745 -2.995 6.399 252 1HG2 ILE 60 1HG2 ILE 60 -0.141 -1.787 3.434 253 2HG2 ILE 60 2HG2 ILE 60 -0.355 -0.145 4.022 254 3HG2 ILE 60 3HG2 ILE 60 1.236 -0.668 3.414 255 1HD1 ILE 60 1HD1 ILE 60 0.342 -3.939 3.925 256 2HD1 ILE 60 2HD1 ILE 60 0.923 -4.846 5.325 257 3HD1 ILE 60 3HD1 ILE 60 -0.500 -3.806 5.494 258 H LEU 61 H LEU 61 -0.183 0.653 7.457 259 HA LEU 61 HA LEU 61 -0.917 3.010 6.168 260 1HB LEU 61 1HB LEU 61 -2.033 1.894 8.184 261 2HB LEU 61 2HB LEU 61 -0.736 2.517 9.181 262 HG LEU 61 HG LEU 61 -1.392 4.841 8.530 263 1HD1 LEU 61 1HD1 LEU 61 -2.576 4.374 6.420 264 2HD1 LEU 61 2HD1 LEU 61 -3.754 3.381 7.292 265 3HD1 LEU 61 3HD1 LEU 61 -3.692 5.136 7.560 266 1HD2 LEU 61 1HD2 LEU 61 -2.143 3.871 10.644 267 2HD2 LEU 61 2HD2 LEU 61 -3.444 4.856 9.949 268 3HD2 LEU 61 3HD2 LEU 61 -3.515 3.085 9.831 269 H ASP 62 H ASP 62 1.512 2.516 8.771 270 HA ASP 62 HA ASP 62 2.413 5.210 8.730 271 1HB ASP 62 1HB ASP 62 2.537 3.480 10.620 272 2HB ASP 62 2HB ASP 62 3.972 2.846 9.815 273 H ILE 63 H ILE 63 2.934 2.911 6.349 274 HA ILE 63 HA ILE 63 5.512 4.202 5.504 275 HB ILE 63 HB ILE 63 4.171 1.559 5.112 276 1HG1 ILE 63 1HG1 ILE 63 7.127 2.059 4.915 277 2HG1 ILE 63 2HG1 ILE 63 6.346 2.269 6.489 278 1HG2 ILE 63 1HG2 ILE 63 5.617 1.165 3.059 279 2HG2 ILE 63 2HG2 ILE 63 4.183 2.160 2.793 280 3HG2 ILE 63 3HG2 ILE 63 5.797 2.913 2.914 281 1HD1 ILE 63 1HD1 ILE 63 7.249 -0.039 6.113 282 2HD1 ILE 63 2HD1 ILE 63 5.528 0.022 6.523 283 3HD1 ILE 63 3HD1 ILE 63 6.026 -0.274 4.846 284 H ILE 64 H ILE 64 2.099 3.631 4.508 285 HA ILE 64 HA ILE 64 2.378 5.073 2.019 286 HB ILE 64 HB ILE 64 -0.023 4.585 3.807 287 1HG1 ILE 64 1HG1 ILE 64 0.485 3.162 1.194 288 2HG1 ILE 64 2HG1 ILE 64 1.401 2.623 2.600 289 1HG2 ILE 64 1HG2 ILE 64 -1.344 4.973 1.693 290 2HG2 ILE 64 2HG2 ILE 64 -0.572 6.429 2.326 291 3HG2 ILE 64 3HG2 ILE 64 0.140 5.591 0.935 292 1HD1 ILE 64 1HD1 ILE 64 -0.635 1.357 2.455 293 2HD1 ILE 64 2HD1 ILE 64 -0.671 2.353 3.912 294 3HD1 ILE 64 3HD1 ILE 64 -1.621 2.839 2.497 295 H LEU 65 H LEU 65 1.210 6.038 5.275 296 HA LEU 65 HA LEU 65 0.727 8.771 4.572 297 1HB LEU 65 1HB LEU 65 1.342 7.437 7.229 298 2HB LEU 65 2HB LEU 65 0.817 9.116 7.056 299 HG LEU 65 HG LEU 65 -0.913 6.729 6.175 300 1HD1 LEU 65 1HD1 LEU 65 -2.155 7.150 8.233 301 2HD1 LEU 65 2HD1 LEU 65 -0.456 6.872 8.679 302 3HD1 LEU 65 3HD1 LEU 65 -1.106 8.518 8.651 303 1HD2 LEU 65 1HD2 LEU 65 -2.688 8.426 6.207 304 2HD2 LEU 65 2HD2 LEU 65 -1.479 9.696 6.484 305 3HD2 LEU 65 3HD2 LEU 65 -1.447 8.742 4.978 306 H ASN 66 H ASN 66 3.622 7.089 5.737 307 HA ASN 66 HA ASN 66 5.074 9.592 6.277 308 1HB ASN 66 1HB ASN 66 5.768 6.660 6.506 309 2HB ASN 66 2HB ASN 66 6.939 7.897 6.802 310 1HD2 ASN 66 1HD2 ASN 66 3.669 6.960 7.903 311 2HD2 ASN 66 2HD2 ASN 66 4.003 7.206 9.580 312 H GLY 67 H GLY 67 5.405 6.796 4.062 313 1HA GLY 67 1HA GLY 67 6.394 6.879 1.883 314 2HA GLY 67 2HA GLY 67 7.399 8.244 2.382 315 H GLN 68 H GLN 68 7.287 4.820 2.108 316 HA GLN 68 HA GLN 68 9.429 4.116 3.902 317 1HB GLN 68 1HB GLN 68 8.168 2.254 2.687 318 2HB GLN 68 2HB GLN 68 8.595 3.024 1.174 319 1HG GLN 68 1HG GLN 68 9.776 1.015 1.718 320 2HG GLN 68 2HG GLN 68 10.887 2.354 1.380 321 1HE2 GLN 68 1HE2 GLN 68 10.731 -0.394 3.028 322 2HE2 GLN 68 2HE2 GLN 68 11.583 0.080 4.490 323 H GLY 69 H GLY 69 11.742 4.140 3.365 324 1HA GLY 69 1HA GLY 69 13.089 6.226 2.838 325 2HA GLY 69 2HA GLY 69 13.650 4.745 2.065 326 H GLY 70 H GLY 70 12.688 4.376 -0.249 327 1HA GLY 70 1HA GLY 70 13.302 6.786 -1.809 328 2HA GLY 70 2HA GLY 70 13.050 5.140 -2.397 329 H MET 71 H MET 71 10.423 5.475 -0.581 330 HA MET 71 HA MET 71 8.691 5.928 -2.903 331 1HB MET 71 1HB MET 71 8.499 3.927 -1.527 332 2HB MET 71 2HB MET 71 8.313 4.899 -0.080 333 1HG MET 71 1HG MET 71 6.215 5.720 -0.676 334 2HG MET 71 2HG MET 71 6.232 4.942 -2.256 335 1HE MET 71 1HE MET 71 3.781 4.406 -0.664 336 2HE MET 71 2HE MET 71 3.800 3.228 0.663 337 3HE MET 71 3HE MET 71 4.544 4.826 0.883 338 HA PRO 72 HA PRO 72 7.882 10.029 -1.089 339 1HB PRO 72 1HB PRO 72 5.719 10.781 -2.650 340 2HB PRO 72 2HB PRO 72 7.429 10.910 -3.147 341 1HG PRO 72 1HG PRO 72 5.424 8.821 -3.917 342 2HG PRO 72 2HG PRO 72 6.706 9.548 -4.913 343 1HD PRO 72 1HD PRO 72 6.881 7.065 -3.672 344 2HD PRO 72 2HD PRO 72 8.316 8.062 -4.085 345 H GLY 73 H GLY 73 6.403 10.733 0.549 346 1HA GLY 73 1HA GLY 73 4.532 8.684 1.535 347 2HA GLY 73 2HA GLY 73 5.198 10.093 2.385 348 H GLY 74 H GLY 74 2.580 9.511 2.417 349 1HA GLY 74 1HA GLY 74 0.600 10.726 2.444 350 2HA GLY 74 2HA GLY 74 1.467 12.102 1.737 351 H ILE 75 H ILE 75 1.707 9.124 -0.002 352 HA ILE 75 HA ILE 75 0.473 9.972 -2.397 353 HB ILE 75 HB ILE 75 1.080 7.251 -1.184 354 1HG1 ILE 75 1HG1 ILE 75 2.400 8.699 -3.526 355 2HG1 ILE 75 2HG1 ILE 75 2.951 8.880 -1.857 356 1HG2 ILE 75 1HG2 ILE 75 0.063 7.845 -3.993 357 2HG2 ILE 75 2HG2 ILE 75 0.737 6.294 -3.475 358 3HG2 ILE 75 3HG2 ILE 75 -0.744 6.860 -2.744 359 1HD1 ILE 75 1HD1 ILE 75 4.303 7.174 -2.947 360 2HD1 ILE 75 2HD1 ILE 75 3.297 6.421 -1.701 361 3HD1 ILE 75 3HD1 ILE 75 2.874 6.281 -3.419 362 H ALA 76 H ALA 76 -0.833 8.457 0.523 363 HA ALA 76 HA ALA 76 -3.580 9.079 -0.281 364 1HB ALA 76 1HB ALA 76 -4.025 6.664 0.870 365 2HB ALA 76 2HB ALA 76 -3.759 6.828 -0.877 366 3HB ALA 76 3HB ALA 76 -2.441 6.316 0.180 367 H LYS 77 H LYS 77 -4.770 9.627 1.661 368 HA LYS 77 HA LYS 77 -3.388 9.446 4.238 369 1HB LYS 77 1HB LYS 77 -4.037 11.996 2.726 370 2HB LYS 77 2HB LYS 77 -4.106 11.958 4.493 371 1HG LYS 77 1HG LYS 77 -1.793 11.156 4.612 372 2HG LYS 77 2HG LYS 77 -1.657 11.190 2.851 373 1HD LYS 77 1HD LYS 77 -1.426 13.446 2.748 374 2HD LYS 77 2HD LYS 77 -2.582 13.744 4.061 375 1HE LYS 77 1HE LYS 77 -0.926 13.073 5.753 376 2HE LYS 77 2HE LYS 77 0.265 12.698 4.495 377 1HZ LYS 77 1HZ LYS 77 -0.888 15.373 4.959 378 2HZ LYS 77 2HZ LYS 77 0.561 14.865 5.541 379 3HZ LYS 77 3HZ LYS 77 0.334 14.995 3.920 380 H GLY 78 H GLY 78 -4.746 9.776 6.053 381 1HA GLY 78 1HA GLY 78 -6.671 9.422 7.238 382 2HA GLY 78 2HA GLY 78 -7.499 10.355 5.974 383 H ALA 79 H ALA 79 -9.300 9.129 5.630 384 HA ALA 79 HA ALA 79 -9.746 6.443 5.756 385 1HB ALA 79 1HB ALA 79 -11.501 8.119 5.348 386 2HB ALA 79 2HB ALA 79 -10.910 8.350 3.683 387 3HB ALA 79 3HB ALA 79 -11.595 6.788 4.179 388 H GLU 80 H GLU 80 -8.248 8.182 3.028 389 HA GLU 80 HA GLU 80 -8.170 6.144 1.106 390 1HB GLU 80 1HB GLU 80 -7.270 8.754 1.300 391 2HB GLU 80 2HB GLU 80 -5.764 7.875 1.449 392 1HG GLU 80 1HG GLU 80 -5.889 8.307 -0.815 393 2HG GLU 80 2HG GLU 80 -6.554 6.669 -0.754 394 H ALA 81 H ALA 81 -5.666 6.968 3.625 395 HA ALA 81 HA ALA 81 -4.018 4.728 2.856 396 1HB ALA 81 1HB ALA 81 -2.534 5.539 4.552 397 2HB ALA 81 2HB ALA 81 -3.185 6.936 3.699 398 3HB ALA 81 3HB ALA 81 -3.825 6.516 5.303 399 H GLU 82 H GLU 82 -6.401 5.420 5.431 400 HA GLU 82 HA GLU 82 -5.927 3.099 7.057 401 1HB GLU 82 1HB GLU 82 -8.389 4.797 6.538 402 2HB GLU 82 2HB GLU 82 -8.345 3.494 7.725 403 1HG GLU 82 1HG GLU 82 -6.620 4.580 9.008 404 2HG GLU 82 2HG GLU 82 -6.364 5.811 7.761 405 H ALA 83 H ALA 83 -8.210 3.687 4.355 406 HA ALA 83 HA ALA 83 -9.280 1.081 4.232 407 1HB ALA 83 1HB ALA 83 -8.875 3.046 1.935 408 2HB ALA 83 2HB ALA 83 -10.010 1.681 1.994 409 3HB ALA 83 3HB ALA 83 -10.240 3.048 3.078 410 H VAL 84 H VAL 84 -6.455 2.523 2.434 411 HA VAL 84 HA VAL 84 -5.628 0.145 1.171 412 HB VAL 84 HB VAL 84 -3.809 2.280 2.350 413 1HG1 VAL 84 1HG1 VAL 84 -2.545 0.192 2.100 414 2HG1 VAL 84 2HG1 VAL 84 -3.290 -0.110 0.522 415 3HG1 VAL 84 3HG1 VAL 84 -2.162 1.234 0.734 416 1HG2 VAL 84 1HG2 VAL 84 -3.453 2.809 -0.099 417 2HG2 VAL 84 2HG2 VAL 84 -4.879 1.808 -0.451 418 3HG2 VAL 84 3HG2 VAL 84 -5.044 3.273 0.523 419 H ALA 85 H ALA 85 -4.516 1.294 4.416 420 HA ALA 85 HA ALA 85 -2.824 -0.794 5.047 421 1HB ALA 85 1HB ALA 85 -3.197 -0.141 7.377 422 2HB ALA 85 2HB ALA 85 -3.107 1.279 6.317 423 3HB ALA 85 3HB ALA 85 -4.676 0.725 6.941 424 H ALA 86 H ALA 86 -6.324 -0.618 5.907 425 HA ALA 86 HA ALA 86 -6.491 -3.206 7.073 426 1HB ALA 86 1HB ALA 86 -8.232 -1.505 7.344 427 2HB ALA 86 2HB ALA 86 -8.627 -1.588 5.613 428 3HB ALA 86 3HB ALA 86 -8.923 -2.992 6.664 429 H TRP 87 H TRP 87 -7.264 -2.162 3.712 430 HA TRP 87 HA TRP 87 -8.027 -4.706 2.710 431 1HB TRP 87 1HB TRP 87 -8.579 -2.670 1.612 432 2HB TRP 87 2HB TRP 87 -6.861 -2.218 1.503 433 HD1 TRP 87 HD TRP 87 -9.364 -4.520 -0.279 434 HE1 TRP 87 1HE TRP 87 -8.300 -5.377 -2.434 435 HE3 TRP 87 3HE TRP 87 -4.863 -2.071 0.002 436 HZ2 TRP 87 2HZ TRP 87 -4.793 -5.033 -2.687 437 HZ3 TRP 87 3HZ TRP 87 -3.520 -1.961 -2.089 438 HH2 TRP 87 HH TRP 87 -4.219 -3.164 -4.115 439 H LEU 88 H LEU 88 -4.840 -3.141 2.904 440 HA LEU 88 HA LEU 88 -3.499 -5.105 1.313 441 1HB LEU 88 1HB LEU 88 -2.862 -2.550 2.168 442 2HB LEU 88 2HB LEU 88 -1.817 -3.548 3.153 443 HG LEU 88 HG LEU 88 -0.886 -2.760 1.013 444 1HD1 LEU 88 1HD1 LEU 88 0.212 -4.637 0.392 445 2HD1 LEU 88 2HD1 LEU 88 -0.266 -5.091 2.044 446 3HD1 LEU 88 3HD1 LEU 88 -1.155 -5.750 0.647 447 1HD2 LEU 88 1HD2 LEU 88 -2.591 -2.480 -0.284 448 2HD2 LEU 88 2HD2 LEU 88 -1.404 -3.483 -1.125 449 3HD2 LEU 88 3HD2 LEU 88 -2.902 -4.236 -0.543 450 H ALA 89 H ALA 89 -3.824 -4.492 4.814 451 HA ALA 89 HA ALA 89 -2.384 -6.767 5.752 452 1HB ALA 89 1HB ALA 89 -2.943 -4.972 7.181 453 2HB ALA 89 2HB ALA 89 -4.696 -5.268 6.988 454 3HB ALA 89 3HB ALA 89 -3.669 -6.463 7.816 455 H GLU 90 H GLU 90 -5.715 -6.418 4.562 456 HA GLU 90 HA GLU 90 -6.495 -9.136 5.162 457 1HB GLU 90 1HB GLU 90 -8.075 -7.355 4.939 458 2HB GLU 90 2HB GLU 90 -7.580 -6.989 3.299 459 1HG GLU 90 1HG GLU 90 -8.574 -9.779 3.759 460 2HG GLU 90 2HG GLU 90 -9.743 -8.463 3.883 461 H LYS 91 H LYS 91 -4.458 -7.739 2.709 462 HA LYS 91 HA LYS 91 -5.420 -9.120 0.682 463 1HB LYS 91 1HB LYS 91 -4.132 -6.982 0.668 464 2HB LYS 91 2HB LYS 91 -2.637 -7.915 0.609 465 1HG LYS 91 1HG LYS 91 -3.375 -6.996 -1.557 466 2HG LYS 91 2HG LYS 91 -3.267 -8.746 -1.641 467 1HD LYS 91 1HD LYS 91 -5.868 -7.316 -0.950 468 2HD LYS 91 2HD LYS 91 -5.379 -7.517 -2.636 469 1HE LYS 91 1HE LYS 91 -5.829 -9.749 -2.704 470 2HE LYS 91 2HE LYS 91 -5.251 -10.068 -1.088 471 1HZ LYS 91 1HZ LYS 91 -7.877 -8.837 -1.714 472 2HZ LYS 91 2HZ LYS 91 -7.623 -10.371 -1.174 473 3HZ LYS 91 3HZ LYS 91 -7.313 -9.098 -0.212 474 H LYS 92 H LYS 92 -4.354 -11.089 2.658 475 HA LYS 92 HA LYS 92 -1.556 -11.379 1.781 476 1HB LYS 92 1HB LYS 92 -1.158 -11.462 4.047 477 2HB LYS 92 2HB LYS 92 -2.315 -10.158 3.611 478 1HG LYS 92 1HG LYS 92 -4.134 -11.255 4.664 479 2HG LYS 92 2HG LYS 92 -3.301 -12.815 4.756 480 1HD LYS 92 1HD LYS 92 -1.828 -12.072 6.470 481 2HD LYS 92 2HD LYS 92 -2.257 -10.376 6.206 482 1HE LYS 92 1HE LYS 92 -4.598 -10.847 6.965 483 2HE LYS 92 2HE LYS 92 -4.137 -12.516 7.318 484 1HZ LYS 92 1HZ LYS 92 -2.583 -11.673 8.935 485 2HZ LYS 92 2HZ LYS 92 -2.922 -10.114 8.525 486 3HZ LYS 92 3HZ LYS 92 -4.075 -11.044 9.246 487 HHA HEC 93 HHA HEC 93 8.699 -0.274 0.287 488 HHB HEC 93 HHB HEC 93 2.254 -0.118 0.659 489 HHC HEC 93 HHC HEC 93 2.317 4.201 -4.114 490 HHD HEC 93 HHD HEC 93 8.555 3.150 -5.038 491 1HMA HEC 93 1HMA HEC 93 3.834 -0.881 3.254 492 2HMA HEC 93 2HMA HEC 93 3.152 -1.915 1.974 493 3HMA HEC 93 3HMA HEC 93 4.636 -2.398 2.800 494 1HAA HEC 93 1HAA HEC 93 6.869 -1.895 3.074 495 2HAA HEC 93 2HAA HEC 93 7.977 -0.665 2.561 496 1HBA HEC 93 1HBA HEC 93 7.964 -2.286 0.386 497 2HBA HEC 93 2HBA HEC 93 7.589 -3.489 1.614 498 1HMB HEC 93 1HMB HEC 93 0.225 -0.278 -0.945 499 2HMB HEC 93 2HMB HEC 93 0.098 0.856 0.408 500 3HMB HEC 93 3HMB HEC 93 -0.825 1.123 -1.082 501 HAB HEC 93 HAB HEC 93 0.377 4.033 -3.428 502 1HBB HEC 93 1HBB HEC 93 -1.104 3.254 -0.893 503 2HBB HEC 93 2HBB HEC 93 -0.316 4.789 -1.264 504 3HBB HEC 93 3HBB HEC 93 -1.733 4.272 -2.196 505 1HMC HEC 93 1HMC HEC 93 4.281 5.705 -6.993 506 2HMC HEC 93 2HMC HEC 93 3.105 4.434 -6.687 507 3HMC HEC 93 3HMC HEC 93 3.164 5.866 -5.642 508 HAC HEC 93 HAC HEC 93 7.908 4.289 -6.642 509 1HBC HEC 93 1HBC HEC 93 7.594 6.550 -5.838 510 2HBC HEC 93 2HBC HEC 93 7.754 6.459 -7.594 511 3HBC HEC 93 3HBC HEC 93 6.166 6.753 -6.867 512 1HMD HEC 93 1HMD HEC 93 11.300 2.489 -4.011 513 2HMD HEC 93 2HMD HEC 93 11.208 0.715 -4.164 514 3HMD HEC 93 3HMD HEC 93 10.172 1.715 -5.158 515 1HAD HEC 93 1HAD HEC 93 10.938 -0.663 -1.280 516 2HAD HEC 93 2HAD HEC 93 10.629 0.469 -0.068 517 1HBD HEC 93 1HBD HEC 93 12.755 0.931 -0.297 518 2HBD HEC 93 2HBD HEC 93 11.955 2.254 -1.118 Start of MODEL 14 1 1H VAL 22 1H VAL 22 -14.853 5.221 -0.841 2 2H VAL 22 2H VAL 22 -14.379 5.227 0.740 3 3H VAL 22 3H VAL 22 -14.640 6.678 -0.057 4 HA VAL 22 HA VAL 22 -12.900 6.050 -1.607 5 HB VAL 22 HB VAL 22 -12.043 6.180 1.318 6 1HG1 VAL 22 1HG1 VAL 22 -10.466 6.255 -1.294 7 2HG1 VAL 22 2HG1 VAL 22 -9.877 6.990 0.203 8 3HG1 VAL 22 3HG1 VAL 22 -10.182 5.241 0.137 9 1HG2 VAL 22 1HG2 VAL 22 -11.544 8.536 0.738 10 2HG2 VAL 22 2HG2 VAL 22 -12.149 8.277 -0.908 11 3HG2 VAL 22 3HG2 VAL 22 -13.259 8.202 0.480 12 H ASP 23 H ASP 23 -12.496 4.298 -2.609 13 HA ASP 23 HA ASP 23 -12.962 1.691 -1.757 14 1HB ASP 23 1HB ASP 23 -11.245 2.751 -4.025 15 2HB ASP 23 2HB ASP 23 -12.094 1.191 -4.026 16 H ALA 24 H ALA 24 -11.291 -0.057 -1.832 17 HA ALA 24 HA ALA 24 -8.826 0.923 -0.500 18 1HB ALA 24 1HB ALA 24 -9.850 -1.928 -0.436 19 2HB ALA 24 2HB ALA 24 -8.668 -1.064 0.587 20 3HB ALA 24 3HB ALA 24 -10.384 -0.666 0.699 21 H GLU 25 H GLU 25 -9.590 -1.978 -2.570 22 HA GLU 25 HA GLU 25 -6.954 -2.080 -3.509 23 1HB GLU 25 1HB GLU 25 -7.569 -3.780 -4.942 24 2HB GLU 25 2HB GLU 25 -8.793 -3.894 -3.668 25 1HG GLU 25 1HG GLU 25 -10.361 -2.660 -5.079 26 2HG GLU 25 2HG GLU 25 -9.129 -2.627 -6.406 27 H ALA 26 H ALA 26 -9.780 -0.367 -4.891 28 HA ALA 26 HA ALA 26 -8.654 0.341 -7.327 29 1HB ALA 26 1HB ALA 26 -11.055 0.760 -6.518 30 2HB ALA 26 2HB ALA 26 -10.409 2.305 -5.899 31 3HB ALA 26 3HB ALA 26 -10.296 1.935 -7.612 32 H VAL 27 H VAL 27 -8.196 1.927 -4.145 33 HA VAL 27 HA VAL 27 -6.523 4.125 -5.087 34 HB VAL 27 HB VAL 27 -6.627 2.657 -2.419 35 1HG1 VAL 27 1HG1 VAL 27 -5.303 4.543 -1.559 36 2HG1 VAL 27 2HG1 VAL 27 -4.376 3.647 -2.754 37 3HG1 VAL 27 3HG1 VAL 27 -5.126 5.197 -3.194 38 1HG2 VAL 27 1HG2 VAL 27 -7.587 5.443 -3.201 39 2HG2 VAL 27 2HG2 VAL 27 -8.654 4.035 -3.087 40 3HG2 VAL 27 3HG2 VAL 27 -7.810 4.618 -1.641 41 H VAL 28 H VAL 28 -5.665 0.623 -4.008 42 HA VAL 28 HA VAL 28 -3.019 1.513 -4.367 43 HB VAL 28 HB VAL 28 -3.987 -1.312 -4.194 44 1HG1 VAL 28 1HG1 VAL 28 -1.454 -0.056 -3.047 45 2HG1 VAL 28 2HG1 VAL 28 -1.804 -1.762 -3.157 46 3HG1 VAL 28 3HG1 VAL 28 -1.554 -0.841 -4.638 47 1HG2 VAL 28 1HG2 VAL 28 -3.735 0.967 -2.183 48 2HG2 VAL 28 2HG2 VAL 28 -5.021 -0.262 -2.289 49 3HG2 VAL 28 3HG2 VAL 28 -3.437 -0.656 -1.617 50 H GLN 29 H GLN 29 -5.223 -0.226 -6.312 51 HA GLN 29 HA GLN 29 -3.812 -0.665 -8.725 52 1HB GLN 29 1HB GLN 29 -6.735 -0.411 -7.980 53 2HB GLN 29 2HB GLN 29 -6.247 -0.882 -9.579 54 1HG GLN 29 1HG GLN 29 -5.549 -2.401 -7.044 55 2HG GLN 29 2HG GLN 29 -6.776 -2.845 -8.236 56 1HE2 GLN 29 1HE2 GLN 29 -4.088 -4.137 -7.304 57 2HE2 GLN 29 2HE2 GLN 29 -3.194 -4.351 -8.804 58 H GLN 30 H GLN 30 -4.514 2.402 -7.425 59 HA GLN 30 HA GLN 30 -3.750 3.376 -10.115 60 1HB GLN 30 1HB GLN 30 -6.351 3.757 -9.191 61 2HB GLN 30 2HB GLN 30 -5.554 5.234 -8.662 62 1HG GLN 30 1HG GLN 30 -4.601 4.955 -11.289 63 2HG GLN 30 2HG GLN 30 -6.228 4.286 -11.403 64 1HE2 GLN 30 1HE2 GLN 30 -7.856 5.857 -9.970 65 2HE2 GLN 30 2HE2 GLN 30 -7.684 7.544 -10.442 66 H LYS 31 H LYS 31 -3.159 3.615 -6.746 67 HA LYS 31 HA LYS 31 -1.647 6.150 -7.063 68 1HB LYS 31 1HB LYS 31 -3.461 5.091 -5.061 69 2HB LYS 31 2HB LYS 31 -1.905 5.208 -4.338 70 1HG LYS 31 1HG LYS 31 -2.915 7.259 -3.906 71 2HG LYS 31 2HG LYS 31 -1.880 7.661 -5.290 72 1HD LYS 31 1HD LYS 31 -3.867 7.354 -6.802 73 2HD LYS 31 2HD LYS 31 -4.831 6.886 -5.388 74 1HE LYS 31 1HE LYS 31 -3.844 9.303 -4.513 75 2HE LYS 31 2HE LYS 31 -3.925 9.609 -6.256 76 1HZ LYS 31 1HZ LYS 31 -5.958 10.198 -5.128 77 2HZ LYS 31 2HZ LYS 31 -6.290 8.882 -6.076 78 3HZ LYS 31 3HZ LYS 31 -6.076 8.729 -4.444 79 H CYS 32 H CYS 32 -1.286 2.681 -6.575 80 HA CYS 32 HA CYS 32 1.514 3.081 -5.617 81 1HB CYS 32 1HB CYS 32 -0.236 0.735 -5.107 82 2HB CYS 32 2HB CYS 32 1.158 1.214 -4.175 83 H ILE 33 H ILE 33 -0.605 1.028 -7.645 84 HA ILE 33 HA ILE 33 1.280 -0.737 -8.641 85 HB ILE 33 HB ILE 33 -0.008 -0.768 -10.738 86 1HG1 ILE 33 1HG1 ILE 33 -1.915 1.266 -9.546 87 2HG1 ILE 33 2HG1 ILE 33 -0.642 1.742 -10.668 88 1HG2 ILE 33 1HG2 ILE 33 -1.665 -0.861 -8.192 89 2HG2 ILE 33 2HG2 ILE 33 -2.059 -1.674 -9.726 90 3HG2 ILE 33 3HG2 ILE 33 -0.636 -2.136 -8.801 91 1HD1 ILE 33 1HD1 ILE 33 -2.814 -0.263 -11.337 92 2HD1 ILE 33 2HD1 ILE 33 -2.665 1.406 -11.918 93 3HD1 ILE 33 3HD1 ILE 33 -1.455 0.200 -12.383 94 H SER 34 H SER 34 0.967 2.695 -9.395 95 HA SER 34 HA SER 34 2.466 3.198 -11.552 96 1HB SER 34 1HB SER 34 2.783 4.516 -8.825 97 2HB SER 34 2HB SER 34 3.063 5.277 -10.402 98 HG SER 34 HG SER 34 0.838 5.013 -10.832 99 H CYS 35 H CYS 35 3.765 2.059 -8.405 100 HA CYS 35 HA CYS 35 6.421 1.718 -9.738 101 1HB CYS 35 1HB CYS 35 6.216 2.136 -6.757 102 2HB CYS 35 2HB CYS 35 7.598 2.260 -7.827 103 H HIS 36 H HIS 36 4.106 0.416 -7.286 104 HA HIS 36 HA HIS 36 5.666 -1.985 -6.929 105 1HB HIS 36 1HB HIS 36 2.845 -1.205 -6.190 106 2HB HIS 36 2HB HIS 36 3.579 -2.768 -5.776 107 HD1 HIS 36 1HD HIS 36 5.763 -2.705 -4.125 108 HD2 HIS 36 2HD HIS 36 3.620 0.904 -4.651 109 HE1 HIS 36 1HE HIS 36 6.488 -1.124 -2.266 110 H GLY 37 H GLY 37 3.563 -1.074 -9.525 111 1HA GLY 37 1HA GLY 37 3.376 -2.236 -11.512 112 2HA GLY 37 2HA GLY 37 3.907 -3.746 -10.748 113 H GLY 38 H GLY 38 1.562 -3.418 -12.427 114 1HA GLY 38 1HA GLY 38 -0.897 -2.907 -11.456 115 2HA GLY 38 2HA GLY 38 -0.565 -4.286 -12.504 116 H ASP 39 H ASP 39 0.417 -6.257 -11.239 117 HA ASP 39 HA ASP 39 -1.525 -7.108 -9.367 118 1HB ASP 39 1HB ASP 39 1.117 -8.396 -10.117 119 2HB ASP 39 2HB ASP 39 -0.329 -9.210 -9.495 120 H LEU 40 H LEU 40 1.049 -5.094 -8.706 121 HA LEU 40 HA LEU 40 2.220 -4.461 -6.910 122 1HB LEU 40 1HB LEU 40 0.101 -5.978 -5.349 123 2HB LEU 40 2HB LEU 40 1.212 -4.790 -4.698 124 HG LEU 40 HG LEU 40 -0.186 -3.789 -7.136 125 1HD1 LEU 40 1HD1 LEU 40 -1.852 -4.478 -4.698 126 2HD1 LEU 40 2HD1 LEU 40 -2.337 -3.405 -6.033 127 3HD1 LEU 40 3HD1 LEU 40 -2.034 -5.127 -6.345 128 1HD2 LEU 40 1HD2 LEU 40 1.256 -2.565 -5.398 129 2HD2 LEU 40 2HD2 LEU 40 -0.236 -1.814 -5.973 130 3HD2 LEU 40 3HD2 LEU 40 -0.189 -2.650 -4.387 131 H THR 41 H THR 41 2.830 -6.950 -8.309 132 HA THR 41 HA THR 41 4.139 -8.789 -6.539 133 HB THR 41 HB THR 41 4.936 -9.480 -8.963 134 HG1 THR 41 1HG THR 41 3.486 -8.522 -10.535 135 1HG2 THR 41 1HG2 THR 41 1.983 -9.424 -8.166 136 2HG2 THR 41 2HG2 THR 41 2.665 -10.433 -9.459 137 3HG2 THR 41 3HG2 THR 41 3.161 -10.685 -7.775 138 H GLY 42 H GLY 42 4.943 -5.625 -7.736 139 1HA GLY 42 1HA GLY 42 6.681 -4.539 -6.740 140 2HA GLY 42 2HA GLY 42 7.621 -6.027 -6.556 141 H ALA 43 H ALA 43 6.439 -3.710 -8.984 142 HA ALA 43 HA ALA 43 8.394 -4.586 -10.988 143 1HB ALA 43 1HB ALA 43 6.415 -2.275 -10.943 144 2HB ALA 43 2HB ALA 43 7.475 -2.685 -12.309 145 3HB ALA 43 3HB ALA 43 6.254 -3.841 -11.747 146 H SER 44 H SER 44 7.912 -1.237 -9.932 147 HA SER 44 HA SER 44 10.829 -0.699 -9.953 148 1HB SER 44 1HB SER 44 8.353 0.833 -10.517 149 2HB SER 44 2HB SER 44 9.487 1.712 -9.493 150 HG SER 44 HG SER 44 11.071 1.399 -11.053 151 H ALA 45 H ALA 45 8.764 -1.881 -7.720 152 HA ALA 45 HA ALA 45 10.142 -0.738 -5.379 153 1HB ALA 45 1HB ALA 45 7.955 -0.278 -4.326 154 2HB ALA 45 2HB ALA 45 8.145 0.703 -5.784 155 3HB ALA 45 3HB ALA 45 7.124 -0.734 -5.820 156 HA PRO 46 HA PRO 46 9.886 -5.053 -4.503 157 1HB PRO 46 1HB PRO 46 9.347 -5.297 -1.801 158 2HB PRO 46 2HB PRO 46 10.909 -4.728 -2.458 159 1HG PRO 46 1HG PRO 46 8.573 -3.047 -1.535 160 2HG PRO 46 2HG PRO 46 10.286 -2.901 -1.037 161 1HD PRO 46 1HD PRO 46 9.261 -1.326 -2.977 162 2HD PRO 46 2HD PRO 46 10.887 -2.022 -3.209 163 H ALA 47 H ALA 47 8.463 -6.849 -3.779 164 HA ALA 47 HA ALA 47 5.784 -6.530 -4.747 165 1HB ALA 47 1HB ALA 47 5.531 -8.867 -4.141 166 2HB ALA 47 2HB ALA 47 7.154 -8.664 -4.836 167 3HB ALA 47 3HB ALA 47 6.958 -8.809 -3.085 168 H ILE 48 H ILE 48 4.121 -5.632 -3.619 169 HA ILE 48 HA ILE 48 4.166 -5.961 -0.654 170 HB ILE 48 HB ILE 48 3.156 -3.848 -0.235 171 1HG1 ILE 48 1HG1 ILE 48 3.304 -2.063 -2.058 172 2HG1 ILE 48 2HG1 ILE 48 3.304 -3.383 -3.216 173 1HG2 ILE 48 1HG2 ILE 48 5.603 -4.103 -0.216 174 2HG2 ILE 48 2HG2 ILE 48 5.660 -3.584 -1.912 175 3HG2 ILE 48 3HG2 ILE 48 5.102 -2.465 -0.661 176 1HD1 ILE 48 1HD1 ILE 48 1.077 -2.241 -2.671 177 2HD1 ILE 48 2HD1 ILE 48 1.012 -3.997 -2.393 178 3HD1 ILE 48 3HD1 ILE 48 1.196 -2.864 -1.031 179 H ASP 49 H ASP 49 2.607 -6.948 -3.415 180 HA ASP 49 HA ASP 49 -0.056 -7.210 -2.744 181 1HB ASP 49 1HB ASP 49 0.020 -9.334 -3.875 182 2HB ASP 49 2HB ASP 49 1.067 -8.202 -4.728 183 H LYS 50 H LYS 50 2.658 -9.001 -1.372 184 HA LYS 50 HA LYS 50 0.932 -10.271 0.712 185 1HB LYS 50 1HB LYS 50 3.637 -10.902 -0.463 186 2HB LYS 50 2HB LYS 50 3.104 -11.658 1.046 187 1HG LYS 50 1HG LYS 50 1.579 -13.016 0.054 188 2HG LYS 50 2HG LYS 50 1.000 -11.737 -1.015 189 1HD LYS 50 1HD LYS 50 1.923 -13.396 -2.422 190 2HD LYS 50 2HD LYS 50 2.949 -11.958 -2.447 191 1HE LYS 50 1HE LYS 50 4.506 -13.066 -0.804 192 2HE LYS 50 2HE LYS 50 3.556 -14.552 -0.979 193 1HZ LYS 50 1HZ LYS 50 4.065 -14.502 -3.328 194 2HZ LYS 50 2HZ LYS 50 4.874 -13.081 -3.172 195 3HZ LYS 50 3HZ LYS 50 5.475 -14.449 -2.469 196 H ALA 51 H ALA 51 2.340 -7.383 0.616 197 HA ALA 51 HA ALA 51 4.102 -7.245 2.807 198 1HB ALA 51 1HB ALA 51 3.692 -5.386 1.371 199 2HB ALA 51 2HB ALA 51 1.992 -5.282 1.869 200 3HB ALA 51 3HB ALA 51 3.280 -4.910 3.035 201 H GLY 52 H GLY 52 0.455 -7.286 2.809 202 1HA GLY 52 1HA GLY 52 -0.067 -7.000 5.508 203 2HA GLY 52 2HA GLY 52 -0.953 -8.045 4.399 204 H ALA 53 H ALA 53 1.401 -9.837 3.922 205 HA ALA 53 HA ALA 53 0.898 -11.689 6.098 206 1HB ALA 53 1HB ALA 53 1.331 -12.358 3.689 207 2HB ALA 53 2HB ALA 53 3.025 -11.879 3.928 208 3HB ALA 53 3HB ALA 53 2.331 -13.186 4.897 209 H ASN 54 H ASN 54 3.516 -9.489 5.128 210 HA ASN 54 HA ASN 54 5.379 -10.569 7.164 211 1HB ASN 54 1HB ASN 54 5.652 -8.304 5.143 212 2HB ASN 54 2HB ASN 54 6.931 -8.873 6.221 213 1HD2 ASN 54 1HD2 ASN 54 6.363 -8.942 3.104 214 2HD2 ASN 54 2HD2 ASN 54 6.850 -10.582 2.719 215 H TYR 55 H TYR 55 3.478 -7.666 6.498 216 HA TYR 55 HA TYR 55 4.257 -6.393 9.083 217 1HB TYR 55 1HB TYR 55 3.624 -4.989 6.466 218 2HB TYR 55 2HB TYR 55 4.246 -4.268 7.950 219 HD1 TYR 55 1HD TYR 55 5.285 -3.873 5.119 220 HD2 TYR 55 2HD TYR 55 6.530 -6.407 8.379 221 HE1 TYR 55 1HE TYR 55 7.602 -3.914 4.222 222 HE2 TYR 55 2HE TYR 55 8.796 -6.523 7.427 223 HH TYR 55 HH TYR 55 10.219 -5.785 5.761 224 H SER 56 H SER 56 2.510 -4.999 9.912 225 HA SER 56 HA SER 56 -0.170 -6.131 9.228 226 1HB SER 56 1HB SER 56 1.003 -4.780 11.668 227 2HB SER 56 2HB SER 56 -0.748 -4.969 11.457 228 HG SER 56 HG SER 56 0.197 -6.660 12.603 229 H GLU 57 H GLU 57 -2.041 -4.534 9.499 230 HA GLU 57 HA GLU 57 -1.874 -2.552 7.536 231 1HB GLU 57 1HB GLU 57 -3.982 -1.675 8.476 232 2HB GLU 57 2HB GLU 57 -4.044 -3.370 8.085 233 1HG GLU 57 1HG GLU 57 -4.533 -3.967 10.211 234 2HG GLU 57 2HG GLU 57 -3.291 -2.934 10.923 235 H GLU 58 H GLU 58 -1.450 -2.209 11.087 236 HA GLU 58 HA GLU 58 -1.157 0.525 11.307 237 1HB GLU 58 1HB GLU 58 0.222 -0.013 13.310 238 2HB GLU 58 2HB GLU 58 -1.256 -0.962 13.174 239 1HG GLU 58 1HG GLU 58 0.448 -2.697 11.967 240 2HG GLU 58 2HG GLU 58 1.592 -1.854 13.014 241 H GLU 59 H GLU 59 1.458 -1.794 10.491 242 HA GLU 59 HA GLU 59 3.532 0.117 10.116 243 1HB GLU 59 1HB GLU 59 3.091 -2.606 8.818 244 2HB GLU 59 2HB GLU 59 4.626 -1.739 8.860 245 1HG GLU 59 1HG GLU 59 3.175 -2.688 11.379 246 2HG GLU 59 2HG GLU 59 4.434 -3.591 10.533 247 H ILE 60 H ILE 60 1.329 -1.509 7.815 248 HA ILE 60 HA ILE 60 2.528 -0.391 5.477 249 HB ILE 60 HB ILE 60 -0.235 -1.556 5.929 250 1HG1 ILE 60 1HG1 ILE 60 2.201 -2.820 4.623 251 2HG1 ILE 60 2HG1 ILE 60 1.869 -2.975 6.350 252 1HG2 ILE 60 1HG2 ILE 60 0.041 -1.987 3.333 253 2HG2 ILE 60 2HG2 ILE 60 -0.551 -0.442 3.938 254 3HG2 ILE 60 3HG2 ILE 60 1.142 -0.603 3.416 255 1HD1 ILE 60 1HD1 ILE 60 -0.394 -3.957 5.757 256 2HD1 ILE 60 2HD1 ILE 60 0.238 -4.114 4.099 257 3HD1 ILE 60 3HD1 ILE 60 1.051 -4.933 5.433 258 H LEU 61 H LEU 61 -0.307 0.562 7.354 259 HA LEU 61 HA LEU 61 -1.199 2.861 6.069 260 1HB LEU 61 1HB LEU 61 -2.204 1.756 8.063 261 2HB LEU 61 2HB LEU 61 -0.904 2.344 9.068 262 HG LEU 61 HG LEU 61 -1.561 4.678 8.613 263 1HD1 LEU 61 1HD1 LEU 61 -2.604 4.488 6.428 264 2HD1 LEU 61 2HD1 LEU 61 -3.818 3.362 7.062 265 3HD1 LEU 61 3HD1 LEU 61 -3.832 5.069 7.557 266 1HD2 LEU 61 1HD2 LEU 61 -2.451 3.509 10.580 267 2HD2 LEU 61 2HD2 LEU 61 -3.640 4.654 9.933 268 3HD2 LEU 61 3HD2 LEU 61 -3.826 2.914 9.621 269 H ASP 62 H ASP 62 1.292 2.545 8.675 270 HA ASP 62 HA ASP 62 1.938 5.291 8.697 271 1HB ASP 62 1HB ASP 62 2.668 3.609 10.418 272 2HB ASP 62 2HB ASP 62 3.891 3.030 9.280 273 H ILE 63 H ILE 63 3.293 2.594 6.776 274 HA ILE 63 HA ILE 63 5.347 4.182 5.527 275 HB ILE 63 HB ILE 63 4.017 1.538 4.917 276 1HG1 ILE 63 1HG1 ILE 63 6.596 1.024 4.490 277 2HG1 ILE 63 2HG1 ILE 63 6.850 2.510 5.400 278 1HG2 ILE 63 1HG2 ILE 63 3.900 2.372 2.715 279 2HG2 ILE 63 2HG2 ILE 63 5.526 3.126 2.816 280 3HG2 ILE 63 3HG2 ILE 63 5.337 1.380 2.778 281 1HD1 ILE 63 1HD1 ILE 63 5.246 0.071 6.309 282 2HD1 ILE 63 2HD1 ILE 63 6.917 0.435 6.773 283 3HD1 ILE 63 3HD1 ILE 63 5.610 1.513 7.300 284 H ILE 64 H ILE 64 1.965 3.517 4.510 285 HA ILE 64 HA ILE 64 2.121 4.952 2.049 286 HB ILE 64 HB ILE 64 -0.185 4.432 3.955 287 1HG1 ILE 64 1HG1 ILE 64 0.294 3.081 1.297 288 2HG1 ILE 64 2HG1 ILE 64 1.236 2.540 2.686 289 1HG2 ILE 64 1HG2 ILE 64 -1.604 4.807 1.861 290 2HG2 ILE 64 2HG2 ILE 64 -0.918 6.255 2.606 291 3HG2 ILE 64 3HG2 ILE 64 -0.173 5.583 1.148 292 1HD1 ILE 64 1HD1 ILE 64 -0.733 1.212 2.520 293 2HD1 ILE 64 2HD1 ILE 64 -0.813 2.162 3.999 294 3HD1 ILE 64 3HD1 ILE 64 -1.789 2.651 2.615 295 H LEU 65 H LEU 65 1.193 6.004 5.323 296 HA LEU 65 HA LEU 65 0.665 8.727 4.581 297 1HB LEU 65 1HB LEU 65 1.275 7.399 7.235 298 2HB LEU 65 2HB LEU 65 0.710 9.065 7.063 299 HG LEU 65 HG LEU 65 -0.961 6.658 6.141 300 1HD1 LEU 65 1HD1 LEU 65 -1.141 8.356 8.681 301 2HD1 LEU 65 2HD1 LEU 65 -2.211 7.016 8.220 302 3HD1 LEU 65 3HD1 LEU 65 -0.511 6.701 8.634 303 1HD2 LEU 65 1HD2 LEU 65 -1.561 9.601 6.500 304 2HD2 LEU 65 2HD2 LEU 65 -1.518 8.639 4.995 305 3HD2 LEU 65 3HD2 LEU 65 -2.765 8.327 6.222 306 H ASN 66 H ASN 66 3.617 7.056 5.474 307 HA ASN 66 HA ASN 66 5.088 9.589 6.030 308 1HB ASN 66 1HB ASN 66 5.642 6.649 6.614 309 2HB ASN 66 2HB ASN 66 6.865 7.867 6.753 310 1HD2 ASN 66 1HD2 ASN 66 3.605 7.117 7.839 311 2HD2 ASN 66 2HD2 ASN 66 3.916 7.438 9.507 312 H GLY 67 H GLY 67 5.637 6.490 4.310 313 1HA GLY 67 1HA GLY 67 6.471 6.739 1.929 314 2HA GLY 67 2HA GLY 67 7.786 7.688 2.659 315 H GLN 68 H GLN 68 9.056 5.957 1.696 316 HA GLN 68 HA GLN 68 10.052 4.192 3.655 317 1HB GLN 68 1HB GLN 68 8.362 2.470 2.592 318 2HB GLN 68 2HB GLN 68 9.007 2.956 1.039 319 1HG GLN 68 1HG GLN 68 9.768 0.825 1.946 320 2HG GLN 68 2HG GLN 68 11.107 1.900 1.523 321 1HE2 GLN 68 1HE2 GLN 68 10.177 -0.390 3.639 322 2HE2 GLN 68 2HE2 GLN 68 11.029 0.168 5.071 323 H GLY 69 H GLY 69 12.280 3.493 2.686 324 1HA GLY 69 1HA GLY 69 14.027 5.140 1.904 325 2HA GLY 69 2HA GLY 69 13.976 3.637 0.984 326 H GLY 70 H GLY 70 13.029 3.709 -1.270 327 1HA GLY 70 1HA GLY 70 13.279 6.346 -2.532 328 2HA GLY 70 2HA GLY 70 13.117 4.760 -3.279 329 H MET 71 H MET 71 10.753 5.504 -0.836 330 HA MET 71 HA MET 71 8.648 5.704 -2.926 331 1HB MET 71 1HB MET 71 8.606 3.825 -1.317 332 2HB MET 71 2HB MET 71 8.539 4.956 -0.002 333 1HG MET 71 1HG MET 71 6.423 5.753 -0.519 334 2HG MET 71 2HG MET 71 6.361 4.967 -2.092 335 1HE MET 71 1HE MET 71 3.737 3.431 0.651 336 2HE MET 71 2HE MET 71 4.555 4.983 0.929 337 3HE MET 71 3HE MET 71 3.884 4.594 -0.673 338 HA PRO 72 HA PRO 72 8.631 9.973 -1.654 339 1HB PRO 72 1HB PRO 72 6.262 10.884 -2.762 340 2HB PRO 72 2HB PRO 72 7.751 10.543 -3.689 341 1HG PRO 72 1HG PRO 72 5.373 8.735 -3.293 342 2HG PRO 72 2HG PRO 72 6.222 9.104 -4.817 343 1HD PRO 72 1HD PRO 72 6.772 6.835 -3.463 344 2HD PRO 72 2HD PRO 72 8.114 7.782 -4.181 345 H GLY 73 H GLY 73 5.623 8.161 -1.104 346 1HA GLY 73 1HA GLY 73 4.485 7.867 0.906 347 2HA GLY 73 2HA GLY 73 5.606 8.984 1.697 348 H GLY 74 H GLY 74 2.844 8.973 2.133 349 1HA GLY 74 1HA GLY 74 1.090 10.416 2.337 350 2HA GLY 74 2HA GLY 74 2.111 11.752 1.754 351 H ILE 75 H ILE 75 1.789 8.843 -0.104 352 HA ILE 75 HA ILE 75 0.696 10.047 -2.451 353 HB ILE 75 HB ILE 75 1.027 7.203 -1.442 354 1HG1 ILE 75 1HG1 ILE 75 2.671 8.250 -3.712 355 2HG1 ILE 75 2HG1 ILE 75 3.038 8.970 -2.143 356 1HG2 ILE 75 1HG2 ILE 75 0.880 6.522 -3.861 357 2HG2 ILE 75 2HG2 ILE 75 -0.646 7.037 -3.139 358 3HG2 ILE 75 3HG2 ILE 75 0.246 8.137 -4.224 359 1HD1 ILE 75 1HD1 ILE 75 3.546 6.894 -1.140 360 2HD1 ILE 75 2HD1 ILE 75 2.771 5.981 -2.439 361 3HD1 ILE 75 3HD1 ILE 75 4.312 6.798 -2.744 362 H ALA 76 H ALA 76 -0.713 8.559 0.449 363 HA ALA 76 HA ALA 76 -3.407 9.290 -0.408 364 1HB ALA 76 1HB ALA 76 -3.371 6.983 -1.167 365 2HB ALA 76 2HB ALA 76 -2.457 6.457 0.260 366 3HB ALA 76 3HB ALA 76 -4.140 6.946 0.435 367 H LYS 77 H LYS 77 -4.572 9.906 1.540 368 HA LYS 77 HA LYS 77 -3.361 9.258 4.118 369 1HB LYS 77 1HB LYS 77 -3.861 12.095 3.109 370 2HB LYS 77 2HB LYS 77 -3.728 11.659 4.803 371 1HG LYS 77 1HG LYS 77 -1.470 10.478 3.710 372 2HG LYS 77 2HG LYS 77 -1.591 11.956 2.771 373 1HD LYS 77 1HD LYS 77 -1.481 13.276 4.882 374 2HD LYS 77 2HD LYS 77 -1.582 11.781 5.826 375 1HE LYS 77 1HE LYS 77 0.539 11.109 4.308 376 2HE LYS 77 2HE LYS 77 0.753 12.853 4.196 377 1HZ LYS 77 1HZ LYS 77 1.925 11.524 5.928 378 2HZ LYS 77 2HZ LYS 77 1.149 12.870 6.526 379 3HZ LYS 77 3HZ LYS 77 0.520 11.354 6.734 380 H GLY 78 H GLY 78 -4.757 9.889 5.932 381 1HA GLY 78 1HA GLY 78 -6.705 9.498 7.052 382 2HA GLY 78 2HA GLY 78 -7.491 10.409 5.749 383 H ALA 79 H ALA 79 -9.265 9.207 5.324 384 HA ALA 79 HA ALA 79 -9.751 6.519 5.497 385 1HB ALA 79 1HB ALA 79 -10.816 8.437 3.385 386 2HB ALA 79 2HB ALA 79 -11.533 6.877 3.838 387 3HB ALA 79 3HB ALA 79 -11.473 8.196 5.022 388 H GLU 80 H GLU 80 -8.020 8.185 2.855 389 HA GLU 80 HA GLU 80 -8.109 6.000 0.996 390 1HB GLU 80 1HB GLU 80 -7.566 8.564 0.694 391 2HB GLU 80 2HB GLU 80 -5.922 8.093 1.088 392 1HG GLU 80 1HG GLU 80 -6.006 6.486 -0.846 393 2HG GLU 80 2HG GLU 80 -7.676 6.983 -1.157 394 H ALA 81 H ALA 81 -5.604 7.013 3.428 395 HA ALA 81 HA ALA 81 -3.922 4.774 2.740 396 1HB ALA 81 1HB ALA 81 -3.854 6.505 5.230 397 2HB ALA 81 2HB ALA 81 -2.532 5.535 4.520 398 3HB ALA 81 3HB ALA 81 -3.132 6.954 3.667 399 H GLU 82 H GLU 82 -6.354 5.443 5.315 400 HA GLU 82 HA GLU 82 -6.011 3.039 6.807 401 1HB GLU 82 1HB GLU 82 -8.369 4.877 6.312 402 2HB GLU 82 2HB GLU 82 -8.532 3.396 7.254 403 1HG GLU 82 1HG GLU 82 -6.780 4.123 8.808 404 2HG GLU 82 2HG GLU 82 -6.557 5.625 7.889 405 H ALA 83 H ALA 83 -8.258 3.694 4.071 406 HA ALA 83 HA ALA 83 -9.363 1.122 3.887 407 1HB ALA 83 1HB ALA 83 -8.800 3.099 1.630 408 2HB ALA 83 2HB ALA 83 -9.912 1.717 1.562 409 3HB ALA 83 3HB ALA 83 -10.251 3.062 2.659 410 H VAL 84 H VAL 84 -6.482 2.482 2.166 411 HA VAL 84 HA VAL 84 -5.664 0.100 0.904 412 HB VAL 84 HB VAL 84 -3.939 2.298 2.122 413 1HG1 VAL 84 1HG1 VAL 84 -3.191 -0.077 0.377 414 2HG1 VAL 84 2HG1 VAL 84 -2.162 1.333 0.689 415 3HG1 VAL 84 3HG1 VAL 84 -2.597 0.238 1.996 416 1HG2 VAL 84 1HG2 VAL 84 -4.958 3.311 0.309 417 2HG2 VAL 84 2HG2 VAL 84 -3.527 2.623 -0.449 418 3HG2 VAL 84 3HG2 VAL 84 -5.104 1.807 -0.609 419 H ALA 85 H ALA 85 -4.513 1.261 4.128 420 HA ALA 85 HA ALA 85 -2.824 -0.857 4.748 421 1HB ALA 85 1HB ALA 85 -3.102 -0.152 7.045 422 2HB ALA 85 2HB ALA 85 -3.065 1.265 5.979 423 3HB ALA 85 3HB ALA 85 -4.605 0.710 6.670 424 H ALA 86 H ALA 86 -6.316 -0.592 5.636 425 HA ALA 86 HA ALA 86 -6.547 -3.114 6.908 426 1HB ALA 86 1HB ALA 86 -8.267 -1.379 7.054 427 2HB ALA 86 2HB ALA 86 -8.619 -1.535 5.319 428 3HB ALA 86 3HB ALA 86 -8.968 -2.884 6.424 429 H TRP 87 H TRP 87 -7.263 -2.234 3.477 430 HA TRP 87 HA TRP 87 -7.957 -4.871 2.647 431 1HB TRP 87 1HB TRP 87 -8.630 -3.020 1.431 432 2HB TRP 87 2HB TRP 87 -6.965 -2.412 1.225 433 HD1 TRP 87 HD TRP 87 -9.336 -5.071 -0.265 434 HE1 TRP 87 1HE TRP 87 -8.312 -5.998 -2.383 435 HE3 TRP 87 3HE TRP 87 -4.926 -2.421 -0.277 436 HZ2 TRP 87 2HZ TRP 87 -4.788 -5.405 -2.628 437 HZ3 TRP 87 3HZ TRP 87 -3.517 -2.593 -2.356 438 HH2 TRP 87 HH TRP 87 -4.332 -3.753 -4.329 439 H LEU 88 H LEU 88 -4.835 -3.192 2.767 440 HA LEU 88 HA LEU 88 -3.401 -5.214 1.338 441 1HB LEU 88 1HB LEU 88 -2.832 -2.601 2.179 442 2HB LEU 88 2HB LEU 88 -1.753 -3.591 3.119 443 HG LEU 88 HG LEU 88 -0.958 -2.735 0.909 444 1HD1 LEU 88 1HD1 LEU 88 -0.899 -5.713 0.564 445 2HD1 LEU 88 2HD1 LEU 88 0.390 -4.478 0.525 446 3HD1 LEU 88 3HD1 LEU 88 -0.245 -5.053 2.079 447 1HD2 LEU 88 1HD2 LEU 88 -1.426 -3.585 -1.168 448 2HD2 LEU 88 2HD2 LEU 88 -2.838 -4.460 -0.551 449 3HD2 LEU 88 3HD2 LEU 88 -2.713 -2.674 -0.369 450 H ALA 89 H ALA 89 -3.907 -4.583 4.791 451 HA ALA 89 HA ALA 89 -2.440 -6.847 5.784 452 1HB ALA 89 1HB ALA 89 -3.155 -5.224 7.331 453 2HB ALA 89 2HB ALA 89 -4.871 -5.399 6.874 454 3HB ALA 89 3HB ALA 89 -4.029 -6.716 7.714 455 H GLU 90 H GLU 90 -5.767 -6.487 4.494 456 HA GLU 90 HA GLU 90 -6.426 -9.277 4.857 457 1HB GLU 90 1HB GLU 90 -8.041 -7.498 4.851 458 2HB GLU 90 2HB GLU 90 -7.665 -7.055 3.200 459 1HG GLU 90 1HG GLU 90 -8.591 -9.882 3.732 460 2HG GLU 90 2HG GLU 90 -9.768 -8.567 3.828 461 H LYS 91 H LYS 91 -4.482 -7.617 2.487 462 HA LYS 91 HA LYS 91 -5.105 -9.219 0.325 463 1HB LYS 91 1HB LYS 91 -4.235 -6.884 0.309 464 2HB LYS 91 2HB LYS 91 -2.614 -7.506 0.633 465 1HG LYS 91 1HG LYS 91 -3.024 -6.876 -1.701 466 2HG LYS 91 2HG LYS 91 -2.593 -8.571 -1.594 467 1HD LYS 91 1HD LYS 91 -5.505 -7.689 -1.597 468 2HD LYS 91 2HD LYS 91 -4.608 -7.829 -3.108 469 1HE LYS 91 1HE LYS 91 -4.206 -10.238 -1.443 470 2HE LYS 91 2HE LYS 91 -5.911 -9.926 -1.647 471 1HZ LYS 91 1HZ LYS 91 -5.545 -9.895 -4.032 472 2HZ LYS 91 2HZ LYS 91 -3.925 -10.138 -3.819 473 3HZ LYS 91 3HZ LYS 91 -4.999 -11.305 -3.380 474 H LYS 92 H LYS 92 -4.030 -10.767 2.703 475 HA LYS 92 HA LYS 92 -1.231 -11.405 1.884 476 1HB LYS 92 1HB LYS 92 -0.825 -11.587 4.111 477 2HB LYS 92 2HB LYS 92 -1.819 -10.130 3.771 478 1HG LYS 92 1HG LYS 92 -3.807 -11.230 4.700 479 2HG LYS 92 2HG LYS 92 -2.942 -12.760 4.891 480 1HD LYS 92 1HD LYS 92 -1.503 -11.871 6.584 481 2HD LYS 92 2HD LYS 92 -2.054 -10.214 6.279 482 1HE LYS 92 1HE LYS 92 -4.229 -10.611 7.172 483 2HE LYS 92 2HE LYS 92 -3.983 -12.361 7.231 484 1HZ LYS 92 1HZ LYS 92 -2.388 -12.056 8.943 485 2HZ LYS 92 2HZ LYS 92 -2.422 -10.415 8.802 486 3HZ LYS 92 3HZ LYS 92 -3.740 -11.222 9.376 487 HHA HEC 93 HHA HEC 93 8.571 -0.183 0.457 488 HHB HEC 93 HHB HEC 93 2.152 -0.079 0.697 489 HHC HEC 93 HHC HEC 93 2.309 4.303 -4.025 490 HHD HEC 93 HHD HEC 93 8.557 3.279 -4.857 491 1HMA HEC 93 1HMA HEC 93 4.043 -1.020 3.449 492 2HMA HEC 93 2HMA HEC 93 2.946 -1.632 2.188 493 3HMA HEC 93 3HMA HEC 93 4.413 -2.531 2.592 494 1HAA HEC 93 1HAA HEC 93 6.763 -1.848 3.141 495 2HAA HEC 93 2HAA HEC 93 7.842 -0.591 2.653 496 1HBA HEC 93 1HBA HEC 93 7.934 -2.159 0.471 497 2HBA HEC 93 2HBA HEC 93 7.434 -3.407 1.609 498 1HMB HEC 93 1HMB HEC 93 -0.897 1.262 -1.108 499 2HMB HEC 93 2HMB HEC 93 0.127 -0.169 -1.036 500 3HMB HEC 93 3HMB HEC 93 -0.009 0.870 0.388 501 HAB HEC 93 HAB HEC 93 0.429 4.345 -3.175 502 1HBB HEC 93 1HBB HEC 93 -0.196 4.936 -0.975 503 2HBB HEC 93 2HBB HEC 93 -1.658 4.608 -1.918 504 3HBB HEC 93 3HBB HEC 93 -1.092 3.429 -0.725 505 1HMC HEC 93 1HMC HEC 93 4.312 5.935 -6.758 506 2HMC HEC 93 2HMC HEC 93 3.078 4.715 -6.451 507 3HMC HEC 93 3HMC HEC 93 3.242 6.103 -5.359 508 HAC HEC 93 HAC HEC 93 7.922 4.483 -6.456 509 1HBC HEC 93 1HBC HEC 93 7.127 6.715 -7.611 510 2HBC HEC 93 2HBC HEC 93 6.204 6.904 -6.105 511 3HBC HEC 93 3HBC HEC 93 7.965 6.689 -6.064 512 1HMD HEC 93 1HMD HEC 93 11.259 2.617 -3.783 513 2HMD HEC 93 2HMD HEC 93 11.231 0.842 -3.947 514 3HMD HEC 93 3HMD HEC 93 10.183 1.819 -4.961 515 1HAD HEC 93 1HAD HEC 93 10.880 -0.656 -1.227 516 2HAD HEC 93 2HAD HEC 93 10.488 0.284 0.073 517 1HBD HEC 93 1HBD HEC 93 12.610 0.812 0.029 518 2HBD HEC 93 2HBD HEC 93 11.758 2.232 -0.550 Start of MODEL 15 1 1H VAL 22 1H VAL 22 -14.564 3.832 0.212 2 2H VAL 22 2H VAL 22 -13.514 3.734 1.480 3 3H VAL 22 3H VAL 22 -14.317 5.171 1.172 4 HA VAL 22 HA VAL 22 -13.252 5.219 -0.988 5 HB VAL 22 HB VAL 22 -11.231 5.053 1.300 6 1HG1 VAL 22 1HG1 VAL 22 -11.150 6.277 -1.499 7 2HG1 VAL 22 2HG1 VAL 22 -9.972 6.647 -0.236 8 3HG1 VAL 22 3HG1 VAL 22 -10.103 4.995 -0.856 9 1HG2 VAL 22 1HG2 VAL 22 -11.499 7.526 1.364 10 2HG2 VAL 22 2HG2 VAL 22 -12.828 7.412 0.194 11 3HG2 VAL 22 3HG2 VAL 22 -12.994 6.705 1.819 12 H ASP 23 H ASP 23 -12.954 3.756 -2.428 13 HA ASP 23 HA ASP 23 -12.796 1.089 -1.996 14 1HB ASP 23 1HB ASP 23 -12.208 2.698 -4.505 15 2HB ASP 23 2HB ASP 23 -12.684 0.987 -4.468 16 H ALA 24 H ALA 24 -11.115 0.389 -0.838 17 HA ALA 24 HA ALA 24 -8.571 1.265 -0.714 18 1HB ALA 24 1HB ALA 24 -7.992 -0.735 0.358 19 2HB ALA 24 2HB ALA 24 -9.628 -0.282 0.878 20 3HB ALA 24 3HB ALA 24 -9.416 -1.596 -0.301 21 H GLU 25 H GLU 25 -9.551 -1.614 -2.652 22 HA GLU 25 HA GLU 25 -6.924 -1.941 -3.698 23 1HB GLU 25 1HB GLU 25 -7.700 -3.648 -4.995 24 2HB GLU 25 2HB GLU 25 -8.867 -3.659 -3.670 25 1HG GLU 25 1HG GLU 25 -10.413 -2.324 -5.091 26 2HG GLU 25 2HG GLU 25 -9.245 -2.484 -6.459 27 H ALA 26 H ALA 26 -9.781 -0.108 -4.889 28 HA ALA 26 HA ALA 26 -8.779 0.570 -7.412 29 1HB ALA 26 1HB ALA 26 -10.455 2.428 -5.732 30 2HB ALA 26 2HB ALA 26 -10.358 2.331 -7.490 31 3HB ALA 26 3HB ALA 26 -11.116 1.004 -6.583 32 H VAL 27 H VAL 27 -8.364 2.308 -4.296 33 HA VAL 27 HA VAL 27 -6.495 4.375 -5.128 34 HB VAL 27 HB VAL 27 -6.628 2.763 -2.546 35 1HG1 VAL 27 1HG1 VAL 27 -5.286 4.602 -1.591 36 2HG1 VAL 27 2HG1 VAL 27 -4.374 3.734 -2.829 37 3HG1 VAL 27 3HG1 VAL 27 -5.098 5.315 -3.194 38 1HG2 VAL 27 1HG2 VAL 27 -8.653 4.166 -3.009 39 2HG2 VAL 27 2HG2 VAL 27 -7.705 4.765 -1.639 40 3HG2 VAL 27 3HG2 VAL 27 -7.596 5.576 -3.213 41 H VAL 28 H VAL 28 -5.599 0.889 -4.057 42 HA VAL 28 HA VAL 28 -3.008 1.814 -4.720 43 HB VAL 28 HB VAL 28 -4.207 -0.851 -4.081 44 1HG1 VAL 28 1HG1 VAL 28 -2.178 -1.923 -3.702 45 2HG1 VAL 28 2HG1 VAL 28 -1.879 -0.993 -5.165 46 3HG1 VAL 28 3HG1 VAL 28 -1.254 -0.460 -3.584 47 1HG2 VAL 28 1HG2 VAL 28 -3.338 1.546 -2.523 48 2HG2 VAL 28 2HG2 VAL 28 -4.466 0.256 -2.104 49 3HG2 VAL 28 3HG2 VAL 28 -2.712 0.050 -1.871 50 H GLN 29 H GLN 29 -5.293 -0.020 -6.444 51 HA GLN 29 HA GLN 29 -3.898 -0.682 -8.832 52 1HB GLN 29 1HB GLN 29 -6.825 -0.281 -8.107 53 2HB GLN 29 2HB GLN 29 -6.337 -0.872 -9.671 54 1HG GLN 29 1HG GLN 29 -5.692 -2.256 -7.040 55 2HG GLN 29 2HG GLN 29 -6.989 -2.686 -8.157 56 1HE2 GLN 29 1HE2 GLN 29 -3.928 -3.586 -7.249 57 2HE2 GLN 29 2HE2 GLN 29 -3.326 -4.178 -8.791 58 H GLN 30 H GLN 30 -4.639 2.452 -7.650 59 HA GLN 30 HA GLN 30 -3.775 3.413 -10.328 60 1HB GLN 30 1HB GLN 30 -6.353 3.852 -9.210 61 2HB GLN 30 2HB GLN 30 -5.487 5.371 -8.983 62 1HG GLN 30 1HG GLN 30 -4.863 5.336 -11.415 63 2HG GLN 30 2HG GLN 30 -5.733 3.802 -11.595 64 1HE2 GLN 30 1HE2 GLN 30 -6.203 7.239 -10.621 65 2HE2 GLN 30 2HE2 GLN 30 -7.874 7.303 -11.167 66 H LYS 31 H LYS 31 -3.095 3.462 -7.004 67 HA LYS 31 HA LYS 31 -1.535 6.003 -7.188 68 1HB LYS 31 1HB LYS 31 -3.040 4.568 -4.970 69 2HB LYS 31 2HB LYS 31 -1.842 5.700 -4.588 70 1HG LYS 31 1HG LYS 31 -3.626 6.845 -6.619 71 2HG LYS 31 2HG LYS 31 -4.490 6.302 -5.176 72 1HD LYS 31 1HD LYS 31 -2.879 7.523 -3.731 73 2HD LYS 31 2HD LYS 31 -2.040 8.128 -5.182 74 1HE LYS 31 1HE LYS 31 -3.775 9.558 -5.762 75 2HE LYS 31 2HE LYS 31 -4.993 8.624 -4.846 76 1HZ LYS 31 1HZ LYS 31 -4.175 9.361 -2.859 77 2HZ LYS 31 2HZ LYS 31 -2.879 10.125 -3.455 78 3HZ LYS 31 3HZ LYS 31 -4.433 10.699 -3.737 79 H CYS 32 H CYS 32 -1.248 2.528 -6.612 80 HA CYS 32 HA CYS 32 1.546 2.960 -5.614 81 1HB CYS 32 1HB CYS 32 -0.068 0.502 -5.188 82 2HB CYS 32 2HB CYS 32 1.286 1.076 -4.235 83 H ILE 33 H ILE 33 -0.554 0.939 -7.695 84 HA ILE 33 HA ILE 33 1.344 -0.779 -8.754 85 HB ILE 33 HB ILE 33 0.008 -0.819 -10.809 86 1HG1 ILE 33 1HG1 ILE 33 -1.915 1.184 -9.601 87 2HG1 ILE 33 2HG1 ILE 33 -0.661 1.676 -10.737 88 1HG2 ILE 33 1HG2 ILE 33 -1.625 -0.944 -8.244 89 2HG2 ILE 33 2HG2 ILE 33 -2.015 -1.749 -9.769 90 3HG2 ILE 33 3HG2 ILE 33 -0.555 -2.195 -8.879 91 1HD1 ILE 33 1HD1 ILE 33 -1.460 0.073 -12.421 92 2HD1 ILE 33 2HD1 ILE 33 -2.816 -0.362 -11.359 93 3HD1 ILE 33 3HD1 ILE 33 -2.666 1.292 -11.986 94 H SER 34 H SER 34 0.935 2.657 -9.468 95 HA SER 34 HA SER 34 2.363 3.203 -11.655 96 1HB SER 34 1HB SER 34 2.804 4.604 -8.997 97 2HB SER 34 2HB SER 34 2.728 5.328 -10.614 98 HG SER 34 HG SER 34 0.502 4.779 -10.654 99 H CYS 35 H CYS 35 3.758 2.075 -8.560 100 HA CYS 35 HA CYS 35 6.403 1.806 -9.932 101 1HB CYS 35 1HB CYS 35 6.219 2.182 -6.935 102 2HB CYS 35 2HB CYS 35 7.588 2.363 -8.014 103 H HIS 36 H HIS 36 4.121 0.457 -7.511 104 HA HIS 36 HA HIS 36 5.681 -1.948 -7.138 105 1HB HIS 36 1HB HIS 36 2.931 -1.058 -6.304 106 2HB HIS 36 2HB HIS 36 3.601 -2.640 -5.868 107 HD1 HIS 36 1HD HIS 36 5.747 -2.643 -4.162 108 HD2 HIS 36 2HD HIS 36 3.756 1.037 -4.821 109 HE1 HIS 36 1HE HIS 36 6.394 -1.084 -2.261 110 H GLY 37 H GLY 37 3.675 -1.080 -9.768 111 1HA GLY 37 1HA GLY 37 4.181 -2.423 -11.638 112 2HA GLY 37 2HA GLY 37 3.926 -3.906 -10.719 113 H GLY 38 H GLY 38 1.714 -4.451 -10.128 114 1HA GLY 38 1HA GLY 38 -0.552 -3.118 -11.454 115 2HA GLY 38 2HA GLY 38 -0.022 -4.626 -12.218 116 H ASP 39 H ASP 39 0.341 -6.494 -10.570 117 HA ASP 39 HA ASP 39 -1.935 -6.730 -8.742 118 1HB ASP 39 1HB ASP 39 0.287 -8.585 -9.651 119 2HB ASP 39 2HB ASP 39 -0.880 -9.024 -8.389 120 H LEU 40 H LEU 40 0.807 -5.062 -8.373 121 HA LEU 40 HA LEU 40 2.177 -4.380 -6.743 122 1HB LEU 40 1HB LEU 40 0.293 -5.669 -4.729 123 2HB LEU 40 2HB LEU 40 1.562 -4.490 -4.443 124 HG LEU 40 HG LEU 40 -0.420 -3.306 -4.322 125 1HD1 LEU 40 1HD1 LEU 40 1.209 -2.029 -5.460 126 2HD1 LEU 40 2HD1 LEU 40 0.846 -2.763 -7.048 127 3HD1 LEU 40 3HD1 LEU 40 -0.307 -1.703 -6.299 128 1HD2 LEU 40 1HD2 LEU 40 -1.407 -4.223 -7.012 129 2HD2 LEU 40 2HD2 LEU 40 -1.876 -4.957 -5.452 130 3HD2 LEU 40 3HD2 LEU 40 -2.229 -3.254 -5.790 131 H THR 41 H THR 41 2.487 -6.922 -8.089 132 HA THR 41 HA THR 41 3.909 -8.718 -6.379 133 HB THR 41 HB THR 41 4.612 -9.462 -8.799 134 HG1 THR 41 1HG THR 41 4.173 -7.599 -9.931 135 1HG2 THR 41 1HG2 THR 41 2.296 -10.333 -9.232 136 2HG2 THR 41 2HG2 THR 41 2.833 -10.594 -7.559 137 3HG2 THR 41 3HG2 THR 41 1.686 -9.296 -7.925 138 H GLY 42 H GLY 42 4.696 -5.561 -7.646 139 1HA GLY 42 1HA GLY 42 6.516 -4.430 -6.851 140 2HA GLY 42 2HA GLY 42 7.418 -5.926 -6.571 141 H ALA 43 H ALA 43 6.941 -3.317 -8.731 142 HA ALA 43 HA ALA 43 8.553 -4.659 -10.881 143 1HB ALA 43 1HB ALA 43 7.689 -2.884 -12.360 144 2HB ALA 43 2HB ALA 43 6.415 -3.928 -11.705 145 3HB ALA 43 3HB ALA 43 6.641 -2.300 -11.050 146 H SER 44 H SER 44 8.077 -1.248 -9.917 147 HA SER 44 HA SER 44 11.019 -0.798 -9.943 148 1HB SER 44 1HB SER 44 8.697 1.159 -9.823 149 2HB SER 44 2HB SER 44 10.411 1.570 -9.978 150 HG SER 44 HG SER 44 9.005 -0.091 -11.811 151 H ALA 45 H ALA 45 8.886 -1.918 -7.746 152 HA ALA 45 HA ALA 45 10.203 -0.788 -5.381 153 1HB ALA 45 1HB ALA 45 7.986 -0.314 -4.378 154 2HB ALA 45 2HB ALA 45 8.224 0.680 -5.826 155 3HB ALA 45 3HB ALA 45 7.195 -0.751 -5.904 156 HA PRO 46 HA PRO 46 9.858 -5.104 -4.518 157 1HB PRO 46 1HB PRO 46 9.363 -5.285 -1.800 158 2HB PRO 46 2HB PRO 46 10.934 -4.799 -2.498 159 1HG PRO 46 1HG PRO 46 8.696 -3.002 -1.552 160 2HG PRO 46 2HG PRO 46 10.426 -2.913 -1.100 161 1HD PRO 46 1HD PRO 46 9.409 -1.334 -3.045 162 2HD PRO 46 2HD PRO 46 11.004 -2.097 -3.297 163 H ALA 47 H ALA 47 8.407 -6.834 -3.774 164 HA ALA 47 HA ALA 47 5.724 -6.479 -4.663 165 1HB ALA 47 1HB ALA 47 5.417 -8.782 -3.926 166 2HB ALA 47 2HB ALA 47 7.012 -8.656 -4.695 167 3HB ALA 47 3HB ALA 47 6.884 -8.711 -2.930 168 H ILE 48 H ILE 48 4.028 -5.657 -3.552 169 HA ILE 48 HA ILE 48 4.070 -5.920 -0.595 170 HB ILE 48 HB ILE 48 3.015 -3.787 -0.222 171 1HG1 ILE 48 1HG1 ILE 48 3.270 -2.020 -2.087 172 2HG1 ILE 48 2HG1 ILE 48 3.315 -3.367 -3.200 173 1HG2 ILE 48 1HG2 ILE 48 4.995 -2.416 -0.572 174 2HG2 ILE 48 2HG2 ILE 48 5.446 -4.045 -0.056 175 3HG2 ILE 48 3HG2 ILE 48 5.628 -3.562 -1.755 176 1HD1 ILE 48 1HD1 ILE 48 1.057 -2.283 -2.877 177 2HD1 ILE 48 2HD1 ILE 48 0.973 -3.967 -2.318 178 3HD1 ILE 48 3HD1 ILE 48 1.127 -2.646 -1.149 179 H ASP 49 H ASP 49 2.547 -6.963 -3.350 180 HA ASP 49 HA ASP 49 -0.142 -7.110 -2.723 181 1HB ASP 49 1HB ASP 49 -0.143 -9.155 -3.959 182 2HB ASP 49 2HB ASP 49 1.125 -8.174 -4.674 183 H LYS 50 H LYS 50 2.528 -8.950 -1.323 184 HA LYS 50 HA LYS 50 0.744 -10.178 0.699 185 1HB LYS 50 1HB LYS 50 3.445 -10.885 -0.458 186 2HB LYS 50 2HB LYS 50 2.982 -11.564 1.109 187 1HG LYS 50 1HG LYS 50 1.173 -11.695 -1.312 188 2HG LYS 50 2HG LYS 50 2.368 -12.937 -1.000 189 1HD LYS 50 1HD LYS 50 0.469 -12.196 1.272 190 2HD LYS 50 2HD LYS 50 -0.189 -13.036 -0.111 191 1HE LYS 50 1HE LYS 50 2.115 -14.547 0.545 192 2HE LYS 50 2HE LYS 50 1.516 -13.984 2.109 193 1HZ LYS 50 1HZ LYS 50 -0.062 -15.430 0.091 194 2HZ LYS 50 2HZ LYS 50 0.450 -16.031 1.544 195 3HZ LYS 50 3HZ LYS 50 -0.664 -14.813 1.476 196 H ALA 51 H ALA 51 2.198 -7.338 0.635 197 HA ALA 51 HA ALA 51 3.823 -7.220 2.921 198 1HB ALA 51 1HB ALA 51 3.059 -4.849 3.059 199 2HB ALA 51 2HB ALA 51 3.636 -5.367 1.462 200 3HB ALA 51 3HB ALA 51 1.898 -5.196 1.767 201 H GLY 52 H GLY 52 0.134 -7.381 2.761 202 1HA GLY 52 1HA GLY 52 -0.339 -6.938 5.467 203 2HA GLY 52 2HA GLY 52 -1.242 -8.031 4.410 204 H ALA 53 H ALA 53 0.992 -9.892 3.924 205 HA ALA 53 HA ALA 53 0.756 -11.580 6.292 206 1HB ALA 53 1HB ALA 53 2.681 -11.849 3.944 207 2HB ALA 53 2HB ALA 53 2.289 -13.067 5.162 208 3HB ALA 53 3HB ALA 53 1.058 -12.554 4.008 209 H ASN 54 H ASN 54 3.410 -9.748 4.771 210 HA ASN 54 HA ASN 54 5.310 -10.560 6.775 211 1HB ASN 54 1HB ASN 54 5.432 -8.358 4.673 212 2HB ASN 54 2HB ASN 54 6.795 -8.895 5.661 213 1HD2 ASN 54 1HD2 ASN 54 8.011 -10.643 4.959 214 2HD2 ASN 54 2HD2 ASN 54 7.531 -11.667 3.615 215 H TYR 55 H TYR 55 3.258 -7.716 6.397 216 HA TYR 55 HA TYR 55 4.360 -6.475 8.867 217 1HB TYR 55 1HB TYR 55 3.484 -4.823 6.507 218 2HB TYR 55 2HB TYR 55 4.513 -4.360 7.856 219 HD1 TYR 55 1HD TYR 55 4.684 -4.277 4.595 220 HD2 TYR 55 2HD TYR 55 6.715 -6.318 7.797 221 HE1 TYR 55 1HE TYR 55 6.647 -4.618 3.129 222 HE2 TYR 55 2HE TYR 55 8.661 -6.704 6.305 223 HH TYR 55 HH TYR 55 9.032 -5.143 3.196 224 H SER 56 H SER 56 2.725 -5.148 9.950 225 HA SER 56 HA SER 56 -0.028 -6.121 9.299 226 1HB SER 56 1HB SER 56 1.338 -5.724 11.761 227 2HB SER 56 2HB SER 56 0.031 -4.536 11.707 228 HG SER 56 HG SER 56 -1.443 -6.170 11.293 229 H GLU 57 H GLU 57 -1.815 -4.586 9.693 230 HA GLU 57 HA GLU 57 -1.893 -2.614 7.732 231 1HB GLU 57 1HB GLU 57 -3.885 -1.721 9.094 232 2HB GLU 57 2HB GLU 57 -4.006 -3.323 8.397 233 1HG GLU 57 1HG GLU 57 -3.129 -2.994 11.294 234 2HG GLU 57 2HG GLU 57 -4.821 -2.951 10.811 235 H GLU 58 H GLU 58 -1.211 -2.145 11.249 236 HA GLU 58 HA GLU 58 -1.006 0.645 11.201 237 1HB GLU 58 1HB GLU 58 0.362 0.429 13.219 238 2HB GLU 58 2HB GLU 58 -1.046 -0.634 13.254 239 1HG GLU 58 1HG GLU 58 0.508 -2.533 12.517 240 2HG GLU 58 2HG GLU 58 1.856 -1.419 12.802 241 H GLU 59 H GLU 59 1.519 -1.764 10.402 242 HA GLU 59 HA GLU 59 3.645 0.120 10.055 243 1HB GLU 59 1HB GLU 59 3.298 -2.633 8.792 244 2HB GLU 59 2HB GLU 59 4.806 -1.781 9.018 245 1HG GLU 59 1HG GLU 59 4.524 -1.869 11.486 246 2HG GLU 59 2HG GLU 59 3.037 -2.812 11.277 247 H ILE 60 H ILE 60 1.458 -1.558 7.779 248 HA ILE 60 HA ILE 60 2.614 -0.416 5.412 249 HB ILE 60 HB ILE 60 -0.197 -1.469 5.829 250 1HG1 ILE 60 1HG1 ILE 60 2.284 -2.914 4.790 251 2HG1 ILE 60 2HG1 ILE 60 1.655 -3.083 6.427 252 1HG2 ILE 60 1HG2 ILE 60 0.932 -1.892 3.154 253 2HG2 ILE 60 2HG2 ILE 60 -0.597 -1.148 3.633 254 3HG2 ILE 60 3HG2 ILE 60 0.884 -0.180 3.542 255 1HD1 ILE 60 1HD1 ILE 60 0.893 -4.944 5.246 256 2HD1 ILE 60 2HD1 ILE 60 -0.518 -3.901 5.502 257 3HD1 ILE 60 3HD1 ILE 60 0.276 -3.969 3.905 258 H LEU 61 H LEU 61 -0.195 0.496 7.397 259 HA LEU 61 HA LEU 61 -1.088 2.795 6.095 260 1HB LEU 61 1HB LEU 61 -2.118 1.662 8.070 261 2HB LEU 61 2HB LEU 61 -0.857 2.296 9.102 262 HG LEU 61 HG LEU 61 -1.577 4.618 8.549 263 1HD1 LEU 61 1HD1 LEU 61 -3.867 4.879 7.511 264 2HD1 LEU 61 2HD1 LEU 61 -2.648 4.279 6.383 265 3HD1 LEU 61 3HD1 LEU 61 -3.808 3.150 7.101 266 1HD2 LEU 61 1HD2 LEU 61 -3.631 4.564 9.904 267 2HD2 LEU 61 2HD2 LEU 61 -3.757 2.809 9.659 268 3HD2 LEU 61 3HD2 LEU 61 -2.392 3.488 10.575 269 H ASP 62 H ASP 62 1.383 2.487 8.710 270 HA ASP 62 HA ASP 62 2.019 5.232 8.796 271 1HB ASP 62 1HB ASP 62 2.793 3.561 10.477 272 2HB ASP 62 2HB ASP 62 3.948 2.927 9.294 273 H ILE 63 H ILE 63 3.375 2.588 6.803 274 HA ILE 63 HA ILE 63 5.390 4.249 5.569 275 HB ILE 63 HB ILE 63 4.140 1.567 4.954 276 1HG1 ILE 63 1HG1 ILE 63 6.890 1.391 4.508 277 2HG1 ILE 63 2HG1 ILE 63 6.811 2.581 5.799 278 1HG2 ILE 63 1HG2 ILE 63 5.484 1.413 2.852 279 2HG2 ILE 63 2HG2 ILE 63 4.056 2.416 2.740 280 3HG2 ILE 63 3HG2 ILE 63 5.678 3.164 2.882 281 1HD1 ILE 63 1HD1 ILE 63 7.065 0.187 6.500 282 2HD1 ILE 63 2HD1 ILE 63 5.687 1.014 7.234 283 3HD1 ILE 63 3HD1 ILE 63 5.433 -0.135 5.888 284 H ILE 64 H ILE 64 2.038 3.477 4.555 285 HA ILE 64 HA ILE 64 2.136 4.898 2.088 286 HB ILE 64 HB ILE 64 -0.151 4.328 4.005 287 1HG1 ILE 64 1HG1 ILE 64 0.356 2.991 1.341 288 2HG1 ILE 64 2HG1 ILE 64 1.279 2.450 2.742 289 1HG2 ILE 64 1HG2 ILE 64 -0.865 6.170 2.596 290 2HG2 ILE 64 2HG2 ILE 64 -0.209 5.380 1.148 291 3HG2 ILE 64 3HG2 ILE 64 -1.618 4.696 1.987 292 1HD1 ILE 64 1HD1 ILE 64 -1.754 2.548 2.628 293 2HD1 ILE 64 2HD1 ILE 64 -0.725 1.101 2.513 294 3HD1 ILE 64 3HD1 ILE 64 -0.792 2.024 4.009 295 H LEU 65 H LEU 65 1.182 5.956 5.366 296 HA LEU 65 HA LEU 65 0.594 8.665 4.609 297 1HB LEU 65 1HB LEU 65 1.250 7.344 7.257 298 2HB LEU 65 2HB LEU 65 0.709 9.017 7.102 299 HG LEU 65 HG LEU 65 -1.016 6.643 6.182 300 1HD1 LEU 65 1HD1 LEU 65 -1.131 8.294 8.756 301 2HD1 LEU 65 2HD1 LEU 65 -2.225 6.978 8.286 302 3HD1 LEU 65 3HD1 LEU 65 -0.523 6.633 8.664 303 1HD2 LEU 65 1HD2 LEU 65 -1.579 9.588 6.630 304 2HD2 LEU 65 2HD2 LEU 65 -1.574 8.683 5.091 305 3HD2 LEU 65 3HD2 LEU 65 -2.801 8.336 6.323 306 H ASN 66 H ASN 66 3.571 7.065 5.607 307 HA ASN 66 HA ASN 66 4.996 9.619 6.106 308 1HB ASN 66 1HB ASN 66 5.627 6.695 6.712 309 2HB ASN 66 2HB ASN 66 6.809 7.949 6.854 310 1HD2 ASN 66 1HD2 ASN 66 3.596 7.063 7.964 311 2HD2 ASN 66 2HD2 ASN 66 3.951 7.357 9.630 312 H GLY 67 H GLY 67 5.660 6.508 4.417 313 1HA GLY 67 1HA GLY 67 6.565 6.811 2.049 314 2HA GLY 67 2HA GLY 67 7.843 7.756 2.846 315 H GLN 68 H GLN 68 9.040 5.967 1.732 316 HA GLN 68 HA GLN 68 10.094 4.227 3.716 317 1HB GLN 68 1HB GLN 68 8.471 2.486 2.676 318 2HB GLN 68 2HB GLN 68 9.018 3.027 1.107 319 1HG GLN 68 1HG GLN 68 9.856 0.887 1.870 320 2HG GLN 68 2HG GLN 68 11.152 2.007 1.409 321 1HE2 GLN 68 1HE2 GLN 68 10.640 -0.508 3.286 322 2HE2 GLN 68 2HE2 GLN 68 11.543 -0.023 4.720 323 H GLY 69 H GLY 69 12.331 3.587 2.766 324 1HA GLY 69 1HA GLY 69 14.047 5.303 2.024 325 2HA GLY 69 2HA GLY 69 14.069 3.790 1.121 326 H GLY 70 H GLY 70 13.081 3.799 -1.140 327 1HA GLY 70 1HA GLY 70 13.323 6.441 -2.425 328 2HA GLY 70 2HA GLY 70 13.240 4.849 -3.168 329 H MET 71 H MET 71 10.821 5.745 -0.760 330 HA MET 71 HA MET 71 8.751 5.846 -2.902 331 1HB MET 71 1HB MET 71 8.671 3.905 -1.400 332 2HB MET 71 2HB MET 71 8.591 4.965 -0.016 333 1HG MET 71 1HG MET 71 6.482 5.830 -0.584 334 2HG MET 71 2HG MET 71 6.449 5.038 -2.158 335 1HE MET 71 1HE MET 71 3.937 4.762 -0.730 336 2HE MET 71 2HE MET 71 3.752 3.562 0.567 337 3HE MET 71 3HE MET 71 4.611 5.081 0.888 338 HA PRO 72 HA PRO 72 8.637 10.097 -1.570 339 1HB PRO 72 1HB PRO 72 6.202 10.931 -2.616 340 2HB PRO 72 2HB PRO 72 7.692 10.687 -3.571 341 1HG PRO 72 1HG PRO 72 5.416 8.730 -3.176 342 2HG PRO 72 2HG PRO 72 6.203 9.200 -4.711 343 1HD PRO 72 1HD PRO 72 6.909 6.939 -3.464 344 2HD PRO 72 2HD PRO 72 8.199 7.994 -4.131 345 H GLY 73 H GLY 73 5.703 8.180 -1.008 346 1HA GLY 73 1HA GLY 73 4.599 7.828 1.007 347 2HA GLY 73 2HA GLY 73 5.678 8.994 1.794 348 H GLY 74 H GLY 74 2.939 8.846 2.266 349 1HA GLY 74 1HA GLY 74 1.089 10.124 2.462 350 2HA GLY 74 2HA GLY 74 2.028 11.552 1.944 351 H ILE 75 H ILE 75 1.845 8.652 -0.012 352 HA ILE 75 HA ILE 75 0.695 9.984 -2.280 353 HB ILE 75 HB ILE 75 1.329 7.121 -1.518 354 1HG1 ILE 75 1HG1 ILE 75 3.087 8.772 -2.282 355 2HG1 ILE 75 2HG1 ILE 75 2.987 7.245 -3.179 356 1HG2 ILE 75 1HG2 ILE 75 -0.134 7.947 -4.035 357 2HG2 ILE 75 2HG2 ILE 75 0.730 6.413 -3.829 358 3HG2 ILE 75 3HG2 ILE 75 -0.661 6.780 -2.802 359 1HD1 ILE 75 1HD1 ILE 75 1.814 9.877 -4.180 360 2HD1 ILE 75 2HD1 ILE 75 3.379 9.201 -4.646 361 3HD1 ILE 75 3HD1 ILE 75 1.899 8.335 -5.061 362 H ALA 76 H ALA 76 -0.635 8.189 0.474 363 HA ALA 76 HA ALA 76 -3.286 9.043 -0.382 364 1HB ALA 76 1HB ALA 76 -2.479 6.210 0.421 365 2HB ALA 76 2HB ALA 76 -4.133 6.788 0.620 366 3HB ALA 76 3HB ALA 76 -3.406 6.711 -1.004 367 H LYS 77 H LYS 77 -4.616 9.597 1.428 368 HA LYS 77 HA LYS 77 -3.383 9.348 4.105 369 1HB LYS 77 1HB LYS 77 -3.359 11.829 2.495 370 2HB LYS 77 2HB LYS 77 -4.006 12.056 4.120 371 1HG LYS 77 1HG LYS 77 -2.040 11.368 5.181 372 2HG LYS 77 2HG LYS 77 -1.425 10.525 3.750 373 1HD LYS 77 1HD LYS 77 -1.046 12.590 2.571 374 2HD LYS 77 2HD LYS 77 -1.599 13.551 3.948 375 1HE LYS 77 1HE LYS 77 0.709 11.525 4.087 376 2HE LYS 77 2HE LYS 77 0.962 13.218 3.654 377 1HZ LYS 77 1HZ LYS 77 1.387 12.718 5.949 378 2HZ LYS 77 2HZ LYS 77 0.176 13.828 5.813 379 3HZ LYS 77 3HZ LYS 77 -0.166 12.258 6.200 380 H GLY 78 H GLY 78 -4.623 9.799 5.899 381 1HA GLY 78 1HA GLY 78 -6.530 9.598 7.141 382 2HA GLY 78 2HA GLY 78 -7.382 10.460 5.848 383 H ALA 79 H ALA 79 -9.199 9.214 5.697 384 HA ALA 79 HA ALA 79 -9.597 6.527 5.984 385 1HB ALA 79 1HB ALA 79 -11.600 6.811 4.590 386 2HB ALA 79 2HB ALA 79 -11.393 8.169 5.713 387 3HB ALA 79 3HB ALA 79 -10.981 8.366 3.992 388 H GLU 80 H GLU 80 -8.264 8.160 3.149 389 HA GLU 80 HA GLU 80 -8.362 6.065 1.241 390 1HB GLU 80 1HB GLU 80 -7.717 8.615 1.096 391 2HB GLU 80 2HB GLU 80 -6.134 8.063 1.636 392 1HG GLU 80 1HG GLU 80 -6.095 6.592 -0.462 393 2HG GLU 80 2HG GLU 80 -7.553 7.453 -0.976 394 H ALA 81 H ALA 81 -5.784 6.949 3.668 395 HA ALA 81 HA ALA 81 -4.092 4.764 2.840 396 1HB ALA 81 1HB ALA 81 -3.957 6.479 5.346 397 2HB ALA 81 2HB ALA 81 -2.643 5.542 4.585 398 3HB ALA 81 3HB ALA 81 -3.304 6.955 3.764 399 H GLU 82 H GLU 82 -6.435 5.393 5.494 400 HA GLU 82 HA GLU 82 -6.024 2.985 6.981 401 1HB GLU 82 1HB GLU 82 -8.527 4.638 6.494 402 2HB GLU 82 2HB GLU 82 -8.452 3.268 7.598 403 1HG GLU 82 1HG GLU 82 -6.673 4.355 8.904 404 2HG GLU 82 2HG GLU 82 -6.720 5.764 7.827 405 H ALA 83 H ALA 83 -8.301 3.667 4.301 406 HA ALA 83 HA ALA 83 -9.386 1.105 4.023 407 1HB ALA 83 1HB ALA 83 -10.284 3.082 2.884 408 2HB ALA 83 2HB ALA 83 -8.846 3.173 1.843 409 3HB ALA 83 3HB ALA 83 -9.943 1.787 1.730 410 H VAL 84 H VAL 84 -6.531 2.520 2.276 411 HA VAL 84 HA VAL 84 -5.745 0.187 0.931 412 HB VAL 84 HB VAL 84 -3.939 2.287 2.198 413 1HG1 VAL 84 1HG1 VAL 84 -3.348 -0.007 0.275 414 2HG1 VAL 84 2HG1 VAL 84 -2.243 1.341 0.612 415 3HG1 VAL 84 3HG1 VAL 84 -2.650 0.197 1.882 416 1HG2 VAL 84 1HG2 VAL 84 -3.559 2.960 -0.168 417 2HG2 VAL 84 2HG2 VAL 84 -4.890 1.886 -0.654 418 3HG2 VAL 84 3HG2 VAL 84 -5.215 3.277 0.387 419 H ALA 85 H ALA 85 -4.480 1.242 4.149 420 HA ALA 85 HA ALA 85 -2.810 -0.953 4.594 421 1HB ALA 85 1HB ALA 85 -2.775 1.119 5.871 422 2HB ALA 85 2HB ALA 85 -4.333 0.719 6.633 423 3HB ALA 85 3HB ALA 85 -2.908 -0.298 6.940 424 H ALA 86 H ALA 86 -6.224 -0.544 5.669 425 HA ALA 86 HA ALA 86 -6.468 -3.038 7.005 426 1HB ALA 86 1HB ALA 86 -8.093 -1.213 7.239 427 2HB ALA 86 2HB ALA 86 -8.574 -1.387 5.538 428 3HB ALA 86 3HB ALA 86 -8.899 -2.699 6.693 429 H TRP 87 H TRP 87 -7.384 -2.136 3.633 430 HA TRP 87 HA TRP 87 -8.197 -4.704 2.752 431 1HB TRP 87 1HB TRP 87 -8.747 -2.787 1.518 432 2HB TRP 87 2HB TRP 87 -7.053 -2.257 1.472 433 HD1 TRP 87 HD TRP 87 -9.282 -4.804 -0.329 434 HE1 TRP 87 1HE TRP 87 -7.958 -5.748 -2.331 435 HE3 TRP 87 3HE TRP 87 -5.078 -1.910 0.028 436 HZ2 TRP 87 2HZ TRP 87 -4.772 -5.169 -2.912 437 HZ3 TRP 87 3HZ TRP 87 -3.562 -1.834 -1.906 438 HH2 TRP 87 HH TRP 87 -3.919 -3.220 -3.890 439 H LEU 88 H LEU 88 -4.969 -3.197 2.805 440 HA LEU 88 HA LEU 88 -3.639 -5.299 1.395 441 1HB LEU 88 1HB LEU 88 -2.967 -2.733 2.436 442 2HB LEU 88 2HB LEU 88 -1.904 -3.851 3.244 443 HG LEU 88 HG LEU 88 -1.131 -2.825 1.075 444 1HD1 LEU 88 1HD1 LEU 88 0.110 -4.560 0.449 445 2HD1 LEU 88 2HD1 LEU 88 -0.373 -5.182 2.040 446 3HD1 LEU 88 3HD1 LEU 88 -1.185 -5.786 0.574 447 1HD2 LEU 88 1HD2 LEU 88 -2.887 -2.598 -0.058 448 2HD2 LEU 88 2HD2 LEU 88 -1.695 -3.482 -1.029 449 3HD2 LEU 88 3HD2 LEU 88 -3.131 -4.344 -0.426 450 H ALA 89 H ALA 89 -3.957 -4.605 4.864 451 HA ALA 89 HA ALA 89 -2.605 -6.908 5.866 452 1HB ALA 89 1HB ALA 89 -4.886 -5.309 7.064 453 2HB ALA 89 2HB ALA 89 -3.908 -6.521 7.917 454 3HB ALA 89 3HB ALA 89 -3.134 -5.058 7.286 455 H GLU 90 H GLU 90 -5.952 -6.396 4.770 456 HA GLU 90 HA GLU 90 -6.902 -9.033 5.416 457 1HB GLU 90 1HB GLU 90 -8.250 -6.908 5.102 458 2HB GLU 90 2HB GLU 90 -7.888 -7.012 3.382 459 1HG GLU 90 1HG GLU 90 -8.988 -9.505 3.796 460 2HG GLU 90 2HG GLU 90 -9.857 -8.537 4.987 461 H LYS 91 H LYS 91 -4.881 -7.801 2.767 462 HA LYS 91 HA LYS 91 -6.035 -9.279 0.653 463 1HB LYS 91 1HB LYS 91 -4.541 -7.193 0.699 464 2HB LYS 91 2HB LYS 91 -3.169 -8.263 0.917 465 1HG LYS 91 1HG LYS 91 -5.071 -8.148 -1.474 466 2HG LYS 91 2HG LYS 91 -3.423 -7.501 -1.356 467 1HD LYS 91 1HD LYS 91 -2.894 -10.013 -0.584 468 2HD LYS 91 2HD LYS 91 -4.322 -10.383 -1.591 469 1HE LYS 91 1HE LYS 91 -2.012 -8.716 -2.556 470 2HE LYS 91 2HE LYS 91 -1.831 -10.464 -2.350 471 1HZ LYS 91 1HZ LYS 91 -3.723 -10.716 -3.895 472 2HZ LYS 91 2HZ LYS 91 -3.850 -9.084 -4.057 473 3HZ LYS 91 3HZ LYS 91 -2.518 -9.864 -4.625 474 H LYS 92 H LYS 92 -3.755 -10.063 3.090 475 HA LYS 92 HA LYS 92 -1.753 -11.266 1.735 476 1HB LYS 92 1HB LYS 92 -0.926 -11.785 3.820 477 2HB LYS 92 2HB LYS 92 -1.697 -10.195 3.718 478 1HG LYS 92 1HG LYS 92 -3.808 -11.326 4.799 479 2HG LYS 92 2HG LYS 92 -2.820 -12.754 5.070 480 1HD LYS 92 1HD LYS 92 -1.388 -11.534 6.607 481 2HD LYS 92 2HD LYS 92 -2.160 -10.008 6.127 482 1HE LYS 92 1HE LYS 92 -4.344 -10.917 7.058 483 2HE LYS 92 2HE LYS 92 -3.423 -12.259 7.739 484 1HZ LYS 92 1HZ LYS 92 -2.146 -10.648 8.993 485 2HZ LYS 92 2HZ LYS 92 -2.907 -9.394 8.254 486 3HZ LYS 92 3HZ LYS 92 -3.750 -10.374 9.266 487 HHA HEC 93 HHA HEC 93 8.583 -0.049 0.405 488 HHB HEC 93 HHB HEC 93 2.159 0.005 0.637 489 HHC HEC 93 HHC HEC 93 2.271 4.426 -4.040 490 HHD HEC 93 HHD HEC 93 8.500 3.305 -4.987 491 1HMA HEC 93 1HMA HEC 93 4.553 -1.564 3.347 492 2HMA HEC 93 2HMA HEC 93 3.114 -0.749 2.743 493 3HMA HEC 93 3HMA HEC 93 3.614 -2.307 2.036 494 1HAA HEC 93 1HAA HEC 93 6.790 -1.796 3.052 495 2HAA HEC 93 2HAA HEC 93 7.890 -0.555 2.567 496 1HBA HEC 93 1HBA HEC 93 8.001 -2.038 0.369 497 2HBA HEC 93 2HBA HEC 93 7.343 -3.294 1.392 498 1HMB HEC 93 1HMB HEC 93 0.016 0.891 0.358 499 2HMB HEC 93 2HMB HEC 93 -0.893 1.252 -1.118 500 3HMB HEC 93 3HMB HEC 93 0.162 -0.151 -1.065 501 HAB HEC 93 HAB HEC 93 0.307 4.176 -3.435 502 1HBB HEC 93 1HBB HEC 93 -1.210 3.387 -0.922 503 2HBB HEC 93 2HBB HEC 93 -0.381 4.913 -1.229 504 3HBB HEC 93 3HBB HEC 93 -1.788 4.454 -2.210 505 1HMC HEC 93 1HMC HEC 93 3.042 4.699 -6.546 506 2HMC HEC 93 2HMC HEC 93 3.146 6.120 -5.489 507 3HMC HEC 93 3HMC HEC 93 4.233 5.956 -6.872 508 HAC HEC 93 HAC HEC 93 7.859 4.506 -6.568 509 1HBC HEC 93 1HBC HEC 93 7.437 6.727 -7.618 510 2HBC HEC 93 2HBC HEC 93 6.115 6.972 -6.456 511 3HBC HEC 93 3HBC HEC 93 7.771 6.713 -5.886 512 1HMD HEC 93 1HMD HEC 93 10.154 1.891 -5.082 513 2HMD HEC 93 2HMD HEC 93 11.225 2.686 -3.899 514 3HMD HEC 93 3HMD HEC 93 11.198 0.912 -4.072 515 1HAD HEC 93 1HAD HEC 93 10.880 -0.566 -1.327 516 2HAD HEC 93 2HAD HEC 93 10.498 0.407 -0.043 517 1HBD HEC 93 1HBD HEC 93 12.602 0.992 -0.116 518 2HBD HEC 93 2HBD HEC 93 11.725 2.361 -0.797 Start of MODEL 16 1 1H VAL 22 1H VAL 22 -14.321 4.028 0.437 2 2H VAL 22 2H VAL 22 -13.090 4.108 1.532 3 3H VAL 22 3H VAL 22 -14.000 5.480 1.205 4 HA VAL 22 HA VAL 22 -13.284 5.302 -1.088 5 HB VAL 22 HB VAL 22 -10.831 5.350 0.729 6 1HG1 VAL 22 1HG1 VAL 22 -10.427 5.355 -1.725 7 2HG1 VAL 22 2HG1 VAL 22 -11.531 6.731 -1.910 8 3HG1 VAL 22 3HG1 VAL 22 -10.017 6.922 -1.014 9 1HG2 VAL 22 1HG2 VAL 22 -12.424 6.888 1.756 10 2HG2 VAL 22 2HG2 VAL 22 -11.219 7.821 0.866 11 3HG2 VAL 22 3HG2 VAL 22 -12.833 7.585 0.169 12 H ASP 23 H ASP 23 -13.054 3.671 -2.425 13 HA ASP 23 HA ASP 23 -12.668 1.033 -1.628 14 1HB ASP 23 1HB ASP 23 -12.662 2.368 -4.357 15 2HB ASP 23 2HB ASP 23 -12.545 0.612 -4.145 16 H ALA 24 H ALA 24 -10.841 0.682 -0.593 17 HA ALA 24 HA ALA 24 -8.375 1.591 -0.815 18 1HB ALA 24 1HB ALA 24 -9.103 -0.005 0.901 19 2HB ALA 24 2HB ALA 24 -9.160 -1.296 -0.304 20 3HB ALA 24 3HB ALA 24 -7.599 -0.554 0.133 21 H GLU 25 H GLU 25 -9.514 -1.282 -2.670 22 HA GLU 25 HA GLU 25 -7.019 -1.605 -4.002 23 1HB GLU 25 1HB GLU 25 -7.898 -3.364 -5.076 24 2HB GLU 25 2HB GLU 25 -9.061 -3.243 -3.751 25 1HG GLU 25 1HG GLU 25 -10.597 -2.020 -5.221 26 2HG GLU 25 2HG GLU 25 -9.438 -2.233 -6.592 27 H ALA 26 H ALA 26 -9.955 0.320 -4.860 28 HA ALA 26 HA ALA 26 -9.118 0.978 -7.500 29 1HB ALA 26 1HB ALA 26 -10.679 2.807 -7.390 30 2HB ALA 26 2HB ALA 26 -11.413 1.399 -6.594 31 3HB ALA 26 3HB ALA 26 -10.744 2.738 -5.627 32 H VAL 27 H VAL 27 -8.406 2.446 -4.339 33 HA VAL 27 HA VAL 27 -6.609 4.575 -5.318 34 HB VAL 27 HB VAL 27 -6.344 2.995 -2.702 35 1HG1 VAL 27 1HG1 VAL 27 -5.692 5.886 -3.280 36 2HG1 VAL 27 2HG1 VAL 27 -5.290 4.936 -1.838 37 3HG1 VAL 27 3HG1 VAL 27 -4.498 4.559 -3.360 38 1HG2 VAL 27 1HG2 VAL 27 -8.185 5.350 -3.268 39 2HG2 VAL 27 2HG2 VAL 27 -8.639 3.747 -2.651 40 3HG2 VAL 27 3HG2 VAL 27 -7.692 4.828 -1.640 41 H VAL 28 H VAL 28 -5.806 1.118 -4.160 42 HA VAL 28 HA VAL 28 -3.158 1.867 -4.779 43 HB VAL 28 HB VAL 28 -4.637 -0.662 -4.123 44 1HG1 VAL 28 1HG1 VAL 28 -1.785 -0.415 -4.907 45 2HG1 VAL 28 2HG1 VAL 28 -2.165 -1.545 -3.605 46 3HG1 VAL 28 3HG1 VAL 28 -2.929 -1.693 -5.205 47 1HG2 VAL 28 1HG2 VAL 28 -2.758 0.140 -2.110 48 2HG2 VAL 28 2HG2 VAL 28 -3.559 1.614 -2.643 49 3HG2 VAL 28 3HG2 VAL 28 -4.529 0.272 -2.092 50 H GLN 29 H GLN 29 -5.448 0.000 -6.562 51 HA GLN 29 HA GLN 29 -4.042 -0.654 -8.927 52 1HB GLN 29 1HB GLN 29 -6.963 -0.169 -8.278 53 2HB GLN 29 2HB GLN 29 -6.487 -0.676 -9.842 54 1HG GLN 29 1HG GLN 29 -7.208 -2.434 -8.035 55 2HG GLN 29 2HG GLN 29 -6.045 -2.801 -9.305 56 1HE2 GLN 29 1HE2 GLN 29 -3.841 -3.332 -8.744 57 2HE2 GLN 29 2HE2 GLN 29 -3.376 -3.474 -7.079 58 H GLN 30 H GLN 30 -4.698 2.519 -7.781 59 HA GLN 30 HA GLN 30 -3.659 3.440 -10.389 60 1HB GLN 30 1HB GLN 30 -6.318 3.930 -9.425 61 2HB GLN 30 2HB GLN 30 -5.451 5.435 -9.209 62 1HG GLN 30 1HG GLN 30 -4.681 5.363 -11.583 63 2HG GLN 30 2HG GLN 30 -5.406 3.759 -11.786 64 1HE2 GLN 30 1HE2 GLN 30 -6.565 6.947 -10.509 65 2HE2 GLN 30 2HE2 GLN 30 -8.021 6.937 -11.496 66 H LYS 31 H LYS 31 -2.994 3.300 -7.174 67 HA LYS 31 HA LYS 31 -1.474 5.885 -7.199 68 1HB LYS 31 1HB LYS 31 -3.017 4.440 -5.020 69 2HB LYS 31 2HB LYS 31 -1.932 5.709 -4.654 70 1HG LYS 31 1HG LYS 31 -4.350 6.111 -6.417 71 2HG LYS 31 2HG LYS 31 -4.147 6.573 -4.722 72 1HD LYS 31 1HD LYS 31 -1.989 7.832 -5.589 73 2HD LYS 31 2HD LYS 31 -2.842 7.784 -7.147 74 1HE LYS 31 1HE LYS 31 -4.810 8.889 -6.052 75 2HE LYS 31 2HE LYS 31 -3.952 8.880 -4.496 76 1HZ LYS 31 1HZ LYS 31 -2.326 10.323 -5.383 77 2HZ LYS 31 2HZ LYS 31 -3.028 10.327 -6.881 78 3HZ LYS 31 3HZ LYS 31 -3.812 10.988 -5.591 79 H CYS 32 H CYS 32 -1.329 2.407 -6.471 80 HA CYS 32 HA CYS 32 1.504 2.802 -5.581 81 1HB CYS 32 1HB CYS 32 0.127 0.236 -5.156 82 2HB CYS 32 2HB CYS 32 1.339 0.993 -4.183 83 H ILE 33 H ILE 33 -0.658 0.927 -7.731 84 HA ILE 33 HA ILE 33 1.211 -0.858 -8.702 85 HB ILE 33 HB ILE 33 -0.073 -1.016 -10.736 86 1HG1 ILE 33 1HG1 ILE 33 -1.902 1.224 -9.824 87 2HG1 ILE 33 2HG1 ILE 33 -0.589 1.491 -10.972 88 1HG2 ILE 33 1HG2 ILE 33 -0.828 -2.140 -8.662 89 2HG2 ILE 33 2HG2 ILE 33 -1.855 -0.773 -8.283 90 3HG2 ILE 33 3HG2 ILE 33 -2.180 -1.753 -9.721 91 1HD1 ILE 33 1HD1 ILE 33 -2.867 -0.453 -11.432 92 2HD1 ILE 33 2HD1 ILE 33 -2.598 1.111 -12.221 93 3HD1 ILE 33 3HD1 ILE 33 -1.463 -0.219 -12.494 94 H SER 34 H SER 34 0.945 2.562 -9.455 95 HA SER 34 HA SER 34 2.441 3.067 -11.616 96 1HB SER 34 1HB SER 34 2.864 4.398 -8.919 97 2HB SER 34 2HB SER 34 2.904 5.156 -10.520 98 HG SER 34 HG SER 34 0.655 4.740 -10.671 99 H CYS 35 H CYS 35 3.717 1.893 -8.479 100 HA CYS 35 HA CYS 35 6.396 1.549 -9.762 101 1HB CYS 35 1HB CYS 35 6.121 2.089 -6.801 102 2HB CYS 35 2HB CYS 35 7.529 2.218 -7.832 103 H HIS 36 H HIS 36 4.007 0.292 -7.392 104 HA HIS 36 HA HIS 36 5.558 -2.124 -6.940 105 1HB HIS 36 1HB HIS 36 2.760 -1.299 -6.103 106 2HB HIS 36 2HB HIS 36 3.553 -2.803 -5.649 107 HD1 HIS 36 1HD HIS 36 5.793 -2.651 -4.099 108 HD2 HIS 36 2HD HIS 36 3.570 0.902 -4.665 109 HE1 HIS 36 1HE HIS 36 6.488 -1.029 -2.265 110 H GLY 37 H GLY 37 3.535 -1.203 -9.566 111 1HA GLY 37 1HA GLY 37 3.143 -2.441 -11.452 112 2HA GLY 37 2HA GLY 37 3.683 -3.927 -10.652 113 H GLY 38 H GLY 38 1.334 -3.699 -12.272 114 1HA GLY 38 1HA GLY 38 -1.110 -3.090 -11.324 115 2HA GLY 38 2HA GLY 38 -0.805 -4.533 -12.285 116 H ASP 39 H ASP 39 0.263 -6.362 -10.857 117 HA ASP 39 HA ASP 39 -1.710 -7.117 -8.891 118 1HB ASP 39 1HB ASP 39 0.769 -8.520 -9.965 119 2HB ASP 39 2HB ASP 39 -0.477 -9.264 -8.949 120 H LEU 40 H LEU 40 0.888 -5.125 -8.447 121 HA LEU 40 HA LEU 40 2.076 -4.430 -6.670 122 1HB LEU 40 1HB LEU 40 0.259 -6.139 -4.965 123 2HB LEU 40 2HB LEU 40 1.170 -4.717 -4.476 124 HG LEU 40 HG LEU 40 -0.924 -4.527 -6.690 125 1HD1 LEU 40 1HD1 LEU 40 -1.495 -4.179 -3.744 126 2HD1 LEU 40 2HD1 LEU 40 -2.601 -4.010 -5.135 127 3HD1 LEU 40 3HD1 LEU 40 -1.960 -5.594 -4.716 128 1HD2 LEU 40 1HD2 LEU 40 0.029 -2.430 -4.733 129 2HD2 LEU 40 2HD2 LEU 40 0.732 -2.660 -6.347 130 3HD2 LEU 40 3HD2 LEU 40 -0.963 -2.229 -6.197 131 H THR 41 H THR 41 2.705 -6.983 -8.093 132 HA THR 41 HA THR 41 4.171 -8.708 -6.332 133 HB THR 41 HB THR 41 4.898 -9.483 -8.733 134 HG1 THR 41 1HG THR 41 4.412 -7.611 -9.867 135 1HG2 THR 41 1HG2 THR 41 2.637 -10.442 -9.184 136 2HG2 THR 41 2HG2 THR 41 3.129 -10.640 -7.489 137 3HG2 THR 41 3HG2 THR 41 1.948 -9.393 -7.931 138 H GLY 42 H GLY 42 4.804 -5.555 -7.551 139 1HA GLY 42 1HA GLY 42 6.620 -4.354 -6.866 140 2HA GLY 42 2HA GLY 42 7.621 -5.805 -6.705 141 H ALA 43 H ALA 43 7.112 -3.098 -8.644 142 HA ALA 43 HA ALA 43 8.514 -4.381 -10.971 143 1HB ALA 43 1HB ALA 43 7.563 -2.547 -12.338 144 2HB ALA 43 2HB ALA 43 6.343 -3.661 -11.690 145 3HB ALA 43 3HB ALA 43 6.544 -2.061 -10.967 146 H SER 44 H SER 44 8.060 -1.008 -9.896 147 HA SER 44 HA SER 44 11.002 -0.562 -9.940 148 1HB SER 44 1HB SER 44 8.708 1.409 -9.676 149 2HB SER 44 2HB SER 44 10.421 1.793 -9.898 150 HG SER 44 HG SER 44 9.228 1.824 -11.884 151 H ALA 45 H ALA 45 8.866 -1.741 -7.765 152 HA ALA 45 HA ALA 45 10.171 -0.650 -5.354 153 1HB ALA 45 1HB ALA 45 7.164 -0.753 -5.878 154 2HB ALA 45 2HB ALA 45 7.952 -0.268 -4.365 155 3HB ALA 45 3HB ALA 45 8.125 0.729 -5.817 156 HA PRO 46 HA PRO 46 9.956 -4.993 -4.550 157 1HB PRO 46 1HB PRO 46 9.414 -5.196 -1.830 158 2HB PRO 46 2HB PRO 46 10.995 -4.732 -2.521 159 1HG PRO 46 1HG PRO 46 8.806 -2.917 -1.505 160 2HG PRO 46 2HG PRO 46 10.560 -2.842 -1.158 161 1HD PRO 46 1HD PRO 46 9.404 -1.257 -3.032 162 2HD PRO 46 2HD PRO 46 11.022 -1.953 -3.322 163 H ALA 47 H ALA 47 8.543 -6.775 -3.842 164 HA ALA 47 HA ALA 47 5.836 -6.453 -4.706 165 1HB ALA 47 1HB ALA 47 5.598 -8.793 -4.040 166 2HB ALA 47 2HB ALA 47 7.189 -8.606 -4.811 167 3HB ALA 47 3HB ALA 47 7.071 -8.713 -3.052 168 H ILE 48 H ILE 48 4.174 -5.613 -3.524 169 HA ILE 48 HA ILE 48 4.336 -5.908 -0.560 170 HB ILE 48 HB ILE 48 3.268 -3.820 -0.133 171 1HG1 ILE 48 1HG1 ILE 48 3.338 -2.024 -1.914 172 2HG1 ILE 48 2HG1 ILE 48 3.410 -3.319 -3.110 173 1HG2 ILE 48 1HG2 ILE 48 5.724 -4.027 -0.147 174 2HG2 ILE 48 2HG2 ILE 48 5.749 -3.516 -1.847 175 3HG2 ILE 48 3HG2 ILE 48 5.189 -2.403 -0.594 176 1HD1 ILE 48 1HD1 ILE 48 1.226 -2.897 -0.987 177 2HD1 ILE 48 2HD1 ILE 48 1.107 -2.366 -2.670 178 3HD1 ILE 48 3HD1 ILE 48 1.154 -4.095 -2.294 179 H ASP 49 H ASP 49 2.751 -7.032 -3.236 180 HA ASP 49 HA ASP 49 0.108 -7.225 -2.445 181 1HB ASP 49 1HB ASP 49 -0.041 -9.166 -3.739 182 2HB ASP 49 2HB ASP 49 1.226 -8.223 -4.514 183 H LYS 50 H LYS 50 2.871 -9.003 -1.129 184 HA LYS 50 HA LYS 50 1.170 -10.299 0.952 185 1HB LYS 50 1HB LYS 50 3.831 -10.958 -0.256 186 2HB LYS 50 2HB LYS 50 3.628 -11.335 1.450 187 1HG LYS 50 1HG LYS 50 2.961 -13.269 0.222 188 2HG LYS 50 2HG LYS 50 1.509 -12.575 0.971 189 1HD LYS 50 1HD LYS 50 0.993 -11.403 -1.190 190 2HD LYS 50 2HD LYS 50 2.501 -12.061 -1.847 191 1HE LYS 50 1HE LYS 50 1.245 -14.388 -1.232 192 2HE LYS 50 2HE LYS 50 -0.177 -13.333 -1.349 193 1HZ LYS 50 1HZ LYS 50 1.859 -13.826 -3.415 194 2HZ LYS 50 2HZ LYS 50 0.233 -14.124 -3.527 195 3HZ LYS 50 3HZ LYS 50 0.842 -12.572 -3.511 196 H ALA 51 H ALA 51 2.431 -7.333 0.794 197 HA ALA 51 HA ALA 51 3.994 -7.144 3.149 198 1HB ALA 51 1HB ALA 51 3.433 -4.790 3.136 199 2HB ALA 51 2HB ALA 51 3.829 -5.388 1.510 200 3HB ALA 51 3HB ALA 51 2.137 -5.075 1.954 201 H GLY 52 H GLY 52 0.460 -7.644 2.760 202 1HA GLY 52 1HA GLY 52 -0.208 -7.045 5.481 203 2HA GLY 52 2HA GLY 52 -1.103 -8.087 4.352 204 H ALA 53 H ALA 53 1.141 -9.941 3.900 205 HA ALA 53 HA ALA 53 0.797 -11.649 6.259 206 1HB ALA 53 1HB ALA 53 2.525 -12.004 3.770 207 2HB ALA 53 2HB ALA 53 2.205 -13.220 5.017 208 3HB ALA 53 3HB ALA 53 0.879 -12.635 3.996 209 H ASN 54 H ASN 54 3.351 -9.724 4.699 210 HA ASN 54 HA ASN 54 5.435 -10.555 6.506 211 1HB ASN 54 1HB ASN 54 5.342 -8.086 4.732 212 2HB ASN 54 2HB ASN 54 6.782 -8.812 5.447 213 1HD2 ASN 54 1HD2 ASN 54 6.167 -8.324 2.569 214 2HD2 ASN 54 2HD2 ASN 54 6.273 -9.907 1.823 215 H TYR 55 H TYR 55 3.309 -7.708 6.363 216 HA TYR 55 HA TYR 55 4.350 -6.628 8.946 217 1HB TYR 55 1HB TYR 55 3.587 -4.993 6.508 218 2HB TYR 55 2HB TYR 55 4.273 -4.412 8.019 219 HD1 TYR 55 1HD TYR 55 5.179 -4.004 5.032 220 HD2 TYR 55 2HD TYR 55 6.580 -6.369 8.353 221 HE1 TYR 55 1HE TYR 55 7.471 -4.028 4.070 222 HE2 TYR 55 2HE TYR 55 8.814 -6.497 7.326 223 HH TYR 55 HH TYR 55 10.172 -5.772 5.601 224 H SER 56 H SER 56 2.733 -5.114 9.894 225 HA SER 56 HA SER 56 -0.009 -6.188 9.451 226 1HB SER 56 1HB SER 56 1.460 -5.904 11.762 227 2HB SER 56 2HB SER 56 0.493 -4.428 11.786 228 HG SER 56 HG SER 56 -0.401 -7.117 11.541 229 H GLU 57 H GLU 57 -1.829 -4.606 9.966 230 HA GLU 57 HA GLU 57 -1.888 -2.809 7.818 231 1HB GLU 57 1HB GLU 57 -4.063 -2.178 8.491 232 2HB GLU 57 2HB GLU 57 -3.895 -3.879 8.830 233 1HG GLU 57 1HG GLU 57 -4.867 -3.362 10.760 234 2HG GLU 57 2HG GLU 57 -3.245 -2.924 11.298 235 H GLU 58 H GLU 58 -1.345 -2.082 11.284 236 HA GLU 58 HA GLU 58 -1.057 0.654 11.156 237 1HB GLU 58 1HB GLU 58 0.596 0.326 13.078 238 2HB GLU 58 2HB GLU 58 -1.048 -0.282 13.278 239 1HG GLU 58 1HG GLU 58 -0.365 -2.573 12.952 240 2HG GLU 58 2HG GLU 58 1.281 -2.086 12.496 241 H GLU 59 H GLU 59 1.553 -1.732 10.533 242 HA GLU 59 HA GLU 59 3.644 0.151 10.093 243 1HB GLU 59 1HB GLU 59 3.190 -2.675 9.035 244 2HB GLU 59 2HB GLU 59 4.722 -1.812 8.903 245 1HG GLU 59 1HG GLU 59 4.922 -1.699 11.347 246 2HG GLU 59 2HG GLU 59 3.355 -2.495 11.545 247 H ILE 60 H ILE 60 1.363 -1.474 7.903 248 HA ILE 60 HA ILE 60 2.514 -0.433 5.479 249 HB ILE 60 HB ILE 60 -0.257 -1.529 6.026 250 1HG1 ILE 60 1HG1 ILE 60 2.147 -2.931 4.790 251 2HG1 ILE 60 2HG1 ILE 60 1.720 -3.048 6.494 252 1HG2 ILE 60 1HG2 ILE 60 -0.733 -0.770 3.962 253 2HG2 ILE 60 2HG2 ILE 60 0.965 -0.441 3.559 254 3HG2 ILE 60 3HG2 ILE 60 0.302 -2.062 3.352 255 1HD1 ILE 60 1HD1 ILE 60 0.771 -4.944 5.672 256 2HD1 ILE 60 2HD1 ILE 60 -0.614 -3.847 5.701 257 3HD1 ILE 60 3HD1 ILE 60 0.226 -4.197 4.166 258 H LEU 61 H LEU 61 -0.307 0.516 7.447 259 HA LEU 61 HA LEU 61 -1.245 2.755 6.110 260 1HB LEU 61 1HB LEU 61 -2.211 1.713 8.150 261 2HB LEU 61 2HB LEU 61 -0.928 2.344 9.128 262 HG LEU 61 HG LEU 61 -1.623 4.598 8.870 263 1HD1 LEU 61 1HD1 LEU 61 -3.670 5.192 7.500 264 2HD1 LEU 61 2HD1 LEU 61 -2.262 4.733 6.537 265 3HD1 LEU 61 3HD1 LEU 61 -3.580 3.568 6.790 266 1HD2 LEU 61 1HD2 LEU 61 -2.890 3.200 10.483 267 2HD2 LEU 61 2HD2 LEU 61 -3.884 4.512 9.819 268 3HD2 LEU 61 3HD2 LEU 61 -4.095 2.851 9.225 269 H ASP 62 H ASP 62 1.247 2.611 8.710 270 HA ASP 62 HA ASP 62 1.759 5.403 8.613 271 1HB ASP 62 1HB ASP 62 2.417 3.867 10.484 272 2HB ASP 62 2HB ASP 62 3.741 3.263 9.473 273 H ILE 63 H ILE 63 3.259 2.646 6.890 274 HA ILE 63 HA ILE 63 5.310 4.235 5.624 275 HB ILE 63 HB ILE 63 4.103 1.506 5.214 276 1HG1 ILE 63 1HG1 ILE 63 7.017 2.333 5.251 277 2HG1 ILE 63 2HG1 ILE 63 6.094 2.223 6.755 278 1HG2 ILE 63 1HG2 ILE 63 5.655 1.199 3.229 279 2HG2 ILE 63 2HG2 ILE 63 4.181 2.108 2.915 280 3HG2 ILE 63 3HG2 ILE 63 5.748 2.950 3.098 281 1HD1 ILE 63 1HD1 ILE 63 6.259 -0.133 4.835 282 2HD1 ILE 63 2HD1 ILE 63 7.421 0.154 6.138 283 3HD1 ILE 63 3HD1 ILE 63 5.706 -0.104 6.517 284 H ILE 64 H ILE 64 1.964 3.443 4.591 285 HA ILE 64 HA ILE 64 2.143 4.695 2.025 286 HB ILE 64 HB ILE 64 -0.190 4.279 3.925 287 1HG1 ILE 64 1HG1 ILE 64 0.344 2.801 1.348 288 2HG1 ILE 64 2HG1 ILE 64 1.238 2.317 2.790 289 1HG2 ILE 64 1HG2 ILE 64 -0.183 5.174 1.013 290 2HG2 ILE 64 2HG2 ILE 64 -1.616 4.577 1.871 291 3HG2 ILE 64 3HG2 ILE 64 -0.835 6.066 2.403 292 1HD1 ILE 64 1HD1 ILE 64 -0.798 0.999 2.555 293 2HD1 ILE 64 2HD1 ILE 64 -0.838 1.951 4.041 294 3HD1 ILE 64 3HD1 ILE 64 -1.787 2.476 2.651 295 H LEU 65 H LEU 65 1.163 5.941 5.222 296 HA LEU 65 HA LEU 65 0.641 8.615 4.348 297 1HB LEU 65 1HB LEU 65 1.335 7.437 7.053 298 2HB LEU 65 2HB LEU 65 0.784 9.094 6.818 299 HG LEU 65 HG LEU 65 -0.952 6.701 5.955 300 1HD1 LEU 65 1HD1 LEU 65 -2.106 7.029 8.120 301 2HD1 LEU 65 2HD1 LEU 65 -0.417 6.564 8.391 302 3HD1 LEU 65 3HD1 LEU 65 -0.912 8.254 8.593 303 1HD2 LEU 65 1HD2 LEU 65 -1.517 9.634 6.436 304 2HD2 LEU 65 2HD2 LEU 65 -1.567 8.695 4.914 305 3HD2 LEU 65 3HD2 LEU 65 -2.740 8.364 6.197 306 H ASN 66 H ASN 66 3.604 7.023 5.442 307 HA ASN 66 HA ASN 66 5.053 9.588 5.781 308 1HB ASN 66 1HB ASN 66 5.614 6.712 6.614 309 2HB ASN 66 2HB ASN 66 6.816 7.959 6.712 310 1HD2 ASN 66 1HD2 ASN 66 3.516 7.249 7.723 311 2HD2 ASN 66 2HD2 ASN 66 3.739 7.703 9.371 312 H GLY 67 H GLY 67 5.587 6.406 4.178 313 1HA GLY 67 1HA GLY 67 6.604 6.518 1.881 314 2HA GLY 67 2HA GLY 67 7.868 7.521 2.618 315 H GLN 68 H GLN 68 9.129 5.658 1.711 316 HA GLN 68 HA GLN 68 10.170 4.062 3.800 317 1HB GLN 68 1HB GLN 68 8.431 2.278 3.147 318 2HB GLN 68 2HB GLN 68 8.770 2.648 1.470 319 1HG GLN 68 1HG GLN 68 9.771 0.561 2.192 320 2HG GLN 68 2HG GLN 68 11.017 1.690 1.674 321 1HE2 GLN 68 1HE2 GLN 68 10.559 -0.730 3.761 322 2HE2 GLN 68 2HE2 GLN 68 11.641 -0.168 5.003 323 H GLY 69 H GLY 69 12.406 3.817 3.130 324 1HA GLY 69 1HA GLY 69 14.256 4.533 1.874 325 2HA GLY 69 2HA GLY 69 13.567 3.344 0.769 326 H GLY 70 H GLY 70 13.083 4.082 -1.322 327 1HA GLY 70 1HA GLY 70 13.397 6.935 -1.941 328 2HA GLY 70 2HA GLY 70 13.237 5.569 -3.046 329 H MET 71 H MET 71 10.707 4.998 -1.090 330 HA MET 71 HA MET 71 8.733 5.870 -2.946 331 1HB MET 71 1HB MET 71 8.589 3.917 -1.380 332 2HB MET 71 2HB MET 71 8.444 5.021 -0.044 333 1HG MET 71 1HG MET 71 6.388 5.869 -0.692 334 2HG MET 71 2HG MET 71 6.381 5.023 -2.234 335 1HE MET 71 1HE MET 71 3.701 3.593 0.576 336 2HE MET 71 2HE MET 71 4.532 5.141 0.831 337 3HE MET 71 3HE MET 71 3.846 4.751 -0.767 338 HA PRO 72 HA PRO 72 8.734 10.097 -1.431 339 1HB PRO 72 1HB PRO 72 6.403 11.062 -2.552 340 2HB PRO 72 2HB PRO 72 7.896 10.744 -3.483 341 1HG PRO 72 1HG PRO 72 5.518 8.908 -3.126 342 2HG PRO 72 2HG PRO 72 6.316 9.365 -4.663 343 1HD PRO 72 1HD PRO 72 6.911 7.050 -3.440 344 2HD PRO 72 2HD PRO 72 8.247 8.038 -4.120 345 H GLY 73 H GLY 73 5.784 8.157 -1.072 346 1HA GLY 73 1HA GLY 73 4.583 7.734 0.867 347 2HA GLY 73 2HA GLY 73 5.584 8.907 1.738 348 H GLY 74 H GLY 74 2.875 8.757 2.109 349 1HA GLY 74 1HA GLY 74 1.054 10.133 2.337 350 2HA GLY 74 2HA GLY 74 2.017 11.480 1.682 351 H ILE 75 H ILE 75 1.733 8.485 -0.082 352 HA ILE 75 HA ILE 75 0.672 9.743 -2.435 353 HB ILE 75 HB ILE 75 1.123 6.861 -1.559 354 1HG1 ILE 75 1HG1 ILE 75 3.175 8.130 -1.969 355 2HG1 ILE 75 2HG1 ILE 75 2.927 6.876 -3.182 356 1HG2 ILE 75 1HG2 ILE 75 -0.066 7.852 -4.157 357 2HG2 ILE 75 2HG2 ILE 75 0.823 6.322 -4.036 358 3HG2 ILE 75 3HG2 ILE 75 -0.627 6.574 -3.058 359 1HD1 ILE 75 1HD1 ILE 75 2.651 9.879 -3.515 360 2HD1 ILE 75 2HD1 ILE 75 3.669 8.747 -4.414 361 3HD1 ILE 75 3HD1 ILE 75 1.932 8.752 -4.688 362 H ALA 76 H ALA 76 -0.767 8.108 0.321 363 HA ALA 76 HA ALA 76 -3.396 8.964 -0.605 364 1HB ALA 76 1HB ALA 76 -3.512 6.594 -1.100 365 2HB ALA 76 2HB ALA 76 -2.644 6.172 0.391 366 3HB ALA 76 3HB ALA 76 -4.291 6.789 0.490 367 H LYS 77 H LYS 77 -4.718 9.619 1.279 368 HA LYS 77 HA LYS 77 -3.426 9.338 3.920 369 1HB LYS 77 1HB LYS 77 -3.871 11.981 2.478 370 2HB LYS 77 2HB LYS 77 -3.870 11.851 4.233 371 1HG LYS 77 1HG LYS 77 -1.619 10.659 4.029 372 2HG LYS 77 2HG LYS 77 -1.577 11.176 2.340 373 1HD LYS 77 1HD LYS 77 -1.595 13.534 3.083 374 2HD LYS 77 2HD LYS 77 -1.786 13.006 4.769 375 1HE LYS 77 1HE LYS 77 0.440 11.560 4.161 376 2HE LYS 77 2HE LYS 77 0.636 12.839 2.954 377 1HZ LYS 77 1HZ LYS 77 0.629 14.415 4.779 378 2HZ LYS 77 2HZ LYS 77 0.389 13.198 5.871 379 3HZ LYS 77 3HZ LYS 77 1.780 13.258 5.007 380 H GLY 78 H GLY 78 -4.657 9.763 5.735 381 1HA GLY 78 1HA GLY 78 -6.540 9.536 7.002 382 2HA GLY 78 2HA GLY 78 -7.418 10.415 5.737 383 H ALA 79 H ALA 79 -9.233 9.108 5.763 384 HA ALA 79 HA ALA 79 -9.684 6.477 5.898 385 1HB ALA 79 1HB ALA 79 -10.995 8.343 3.892 386 2HB ALA 79 2HB ALA 79 -11.646 6.791 4.467 387 3HB ALA 79 3HB ALA 79 -11.442 8.137 5.604 388 H GLU 80 H GLU 80 -8.333 8.089 3.057 389 HA GLU 80 HA GLU 80 -8.446 6.005 1.145 390 1HB GLU 80 1HB GLU 80 -7.814 8.556 1.019 391 2HB GLU 80 2HB GLU 80 -6.214 8.007 1.505 392 1HG GLU 80 1HG GLU 80 -6.228 6.542 -0.574 393 2HG GLU 80 2HG GLU 80 -7.728 7.346 -1.044 394 H ALA 81 H ALA 81 -5.740 6.930 3.441 395 HA ALA 81 HA ALA 81 -4.125 4.676 2.660 396 1HB ALA 81 1HB ALA 81 -2.642 5.462 4.403 397 2HB ALA 81 2HB ALA 81 -3.212 6.845 3.462 398 3HB ALA 81 3HB ALA 81 -3.908 6.526 5.067 399 H GLU 82 H GLU 82 -6.376 5.457 5.340 400 HA GLU 82 HA GLU 82 -5.889 3.196 6.996 401 1HB GLU 82 1HB GLU 82 -8.465 4.699 6.424 402 2HB GLU 82 2HB GLU 82 -8.226 3.610 7.783 403 1HG GLU 82 1HG GLU 82 -6.716 5.056 8.872 404 2HG GLU 82 2HG GLU 82 -6.365 5.990 7.418 405 H ALA 83 H ALA 83 -8.242 3.654 4.317 406 HA ALA 83 HA ALA 83 -9.291 1.035 4.318 407 1HB ALA 83 1HB ALA 83 -10.116 1.548 2.097 408 2HB ALA 83 2HB ALA 83 -10.301 2.962 3.129 409 3HB ALA 83 3HB ALA 83 -8.985 2.910 1.933 410 H VAL 84 H VAL 84 -6.532 2.433 2.396 411 HA VAL 84 HA VAL 84 -5.734 0.031 1.154 412 HB VAL 84 HB VAL 84 -3.904 2.191 2.230 413 1HG1 VAL 84 1HG1 VAL 84 -3.393 -0.081 0.247 414 2HG1 VAL 84 2HG1 VAL 84 -2.269 1.222 0.670 415 3HG1 VAL 84 3HG1 VAL 84 -2.693 0.014 1.870 416 1HG2 VAL 84 1HG2 VAL 84 -5.215 3.178 0.463 417 2HG2 VAL 84 2HG2 VAL 84 -3.645 2.721 -0.221 418 3HG2 VAL 84 3HG2 VAL 84 -5.081 1.715 -0.523 419 H ALA 85 H ALA 85 -4.625 1.237 4.372 420 HA ALA 85 HA ALA 85 -2.863 -0.797 5.048 421 1HB ALA 85 1HB ALA 85 -3.283 1.284 6.296 422 2HB ALA 85 2HB ALA 85 -4.805 0.628 6.927 423 3HB ALA 85 3HB ALA 85 -3.282 -0.157 7.347 424 H ALA 86 H ALA 86 -6.385 -0.716 5.878 425 HA ALA 86 HA ALA 86 -6.415 -3.343 7.000 426 1HB ALA 86 1HB ALA 86 -8.675 -1.779 5.684 427 2HB ALA 86 2HB ALA 86 -8.858 -3.210 6.724 428 3HB ALA 86 3HB ALA 86 -8.191 -1.707 7.393 429 H TRP 87 H TRP 87 -7.245 -2.203 3.702 430 HA TRP 87 HA TRP 87 -8.001 -4.718 2.611 431 1HB TRP 87 1HB TRP 87 -8.653 -2.597 1.692 432 2HB TRP 87 2HB TRP 87 -6.955 -2.152 1.484 433 HD1 TRP 87 HD TRP 87 -9.562 -4.342 -0.356 434 HE1 TRP 87 1HE TRP 87 -8.515 -5.112 -2.549 435 HE3 TRP 87 3HE TRP 87 -5.055 -1.954 0.036 436 HZ2 TRP 87 2HZ TRP 87 -5.168 -4.978 -3.082 437 HZ3 TRP 87 3HZ TRP 87 -3.650 -1.799 -1.980 438 HH2 TRP 87 HH TRP 87 -4.176 -3.071 -3.993 439 H LEU 88 H LEU 88 -4.853 -3.233 3.027 440 HA LEU 88 HA LEU 88 -3.524 -5.240 1.359 441 1HB LEU 88 1HB LEU 88 -2.755 -2.646 2.179 442 2HB LEU 88 2HB LEU 88 -1.638 -3.752 2.947 443 HG LEU 88 HG LEU 88 -1.039 -2.948 0.611 444 1HD1 LEU 88 1HD1 LEU 88 0.033 -5.010 1.411 445 2HD1 LEU 88 2HD1 LEU 88 -1.372 -5.975 0.930 446 3HD1 LEU 88 3HD1 LEU 88 -0.405 -5.167 -0.310 447 1HD2 LEU 88 1HD2 LEU 88 -3.271 -4.429 -0.545 448 2HD2 LEU 88 2HD2 LEU 88 -2.948 -2.690 -0.212 449 3HD2 LEU 88 3HD2 LEU 88 -1.906 -3.595 -1.325 450 H ALA 89 H ALA 89 -3.853 -4.494 4.832 451 HA ALA 89 HA ALA 89 -2.317 -6.669 5.784 452 1HB ALA 89 1HB ALA 89 -3.696 -6.501 7.819 453 2HB ALA 89 2HB ALA 89 -3.015 -4.968 7.231 454 3HB ALA 89 3HB ALA 89 -4.750 -5.332 6.983 455 H GLU 90 H GLU 90 -5.790 -6.558 4.738 456 HA GLU 90 HA GLU 90 -6.135 -9.349 5.392 457 1HB GLU 90 1HB GLU 90 -8.321 -9.122 4.637 458 2HB GLU 90 2HB GLU 90 -7.864 -7.551 5.329 459 1HG GLU 90 1HG GLU 90 -8.950 -6.887 3.407 460 2HG GLU 90 2HG GLU 90 -7.273 -6.944 2.857 461 H LYS 91 H LYS 91 -4.245 -8.026 2.940 462 HA LYS 91 HA LYS 91 -5.369 -9.257 0.824 463 1HB LYS 91 1HB LYS 91 -3.930 -7.213 0.908 464 2HB LYS 91 2HB LYS 91 -2.496 -8.244 0.844 465 1HG LYS 91 1HG LYS 91 -3.103 -7.168 -1.284 466 2HG LYS 91 2HG LYS 91 -3.144 -8.920 -1.456 467 1HD LYS 91 1HD LYS 91 -5.646 -7.374 -0.669 468 2HD LYS 91 2HD LYS 91 -5.148 -7.391 -2.364 469 1HE LYS 91 1HE LYS 91 -5.529 -9.654 -2.655 470 2HE LYS 91 2HE LYS 91 -5.244 -10.082 -0.983 471 1HZ LYS 91 1HZ LYS 91 -7.635 -8.602 -1.940 472 2HZ LYS 91 2HZ LYS 91 -7.609 -10.201 -1.535 473 3HZ LYS 91 3HZ LYS 91 -7.358 -9.050 -0.401 474 H LYS 92 H LYS 92 -4.397 -11.230 2.851 475 HA LYS 92 HA LYS 92 -1.596 -11.679 2.076 476 1HB LYS 92 1HB LYS 92 -1.233 -11.482 4.307 477 2HB LYS 92 2HB LYS 92 -2.453 -10.271 3.797 478 1HG LYS 92 1HG LYS 92 -4.214 -11.478 4.917 479 2HG LYS 92 2HG LYS 92 -3.204 -12.900 5.210 480 1HD LYS 92 1HD LYS 92 -2.043 -11.952 6.986 481 2HD LYS 92 2HD LYS 92 -2.157 -10.353 6.312 482 1HE LYS 92 1HE LYS 92 -3.529 -10.047 8.099 483 2HE LYS 92 2HE LYS 92 -4.727 -10.460 6.877 484 1HZ LYS 92 1HZ LYS 92 -4.671 -12.726 7.699 485 2HZ LYS 92 2HZ LYS 92 -3.617 -12.278 8.891 486 3HZ LYS 92 3HZ LYS 92 -5.134 -11.643 8.853 487 HHA HEC 93 HHA HEC 93 8.550 -0.038 0.456 488 HHB HEC 93 HHB HEC 93 2.133 -0.043 0.726 489 HHC HEC 93 HHC HEC 93 2.138 4.298 -4.025 490 HHD HEC 93 HHD HEC 93 8.403 3.284 -4.951 491 1HMA HEC 93 1HMA HEC 93 4.553 -1.723 3.356 492 2HMA HEC 93 2HMA HEC 93 3.167 -0.738 2.897 493 3HMA HEC 93 3HMA HEC 93 3.488 -2.269 2.046 494 1HAA HEC 93 1HAA HEC 93 6.760 -1.802 3.127 495 2HAA HEC 93 2HAA HEC 93 7.779 -0.458 2.749 496 1HBA HEC 93 1HBA HEC 93 8.046 -2.064 0.542 497 2HBA HEC 93 2HBA HEC 93 7.754 -3.282 1.778 498 1HMB HEC 93 1HMB HEC 93 -0.015 0.698 0.413 499 2HMB HEC 93 2HMB HEC 93 -0.946 1.072 -1.042 500 3HMB HEC 93 3HMB HEC 93 0.150 -0.299 -1.039 501 HAB HEC 93 HAB HEC 93 0.152 3.907 -3.497 502 1HBB HEC 93 1HBB HEC 93 -1.970 4.157 -2.315 503 2HBB HEC 93 2HBB HEC 93 -1.359 3.194 -0.960 504 3HBB HEC 93 3HBB HEC 93 -0.595 4.733 -1.354 505 1HMC HEC 93 1HMC HEC 93 3.004 5.986 -5.553 506 2HMC HEC 93 2HMC HEC 93 4.080 5.745 -6.937 507 3HMC HEC 93 3HMC HEC 93 2.919 4.497 -6.521 508 HAC HEC 93 HAC HEC 93 7.760 4.507 -6.504 509 1HBC HEC 93 1HBC HEC 93 5.875 6.872 -6.623 510 2HBC HEC 93 2HBC HEC 93 7.448 6.738 -5.835 511 3HBC HEC 93 3HBC HEC 93 7.342 6.657 -7.595 512 1HMD HEC 93 1HMD HEC 93 10.094 1.902 -5.018 513 2HMD HEC 93 2HMD HEC 93 11.125 2.776 -3.856 514 3HMD HEC 93 3HMD HEC 93 11.178 0.998 -3.977 515 1HAD HEC 93 1HAD HEC 93 10.841 -0.491 -1.230 516 2HAD HEC 93 2HAD HEC 93 10.428 0.493 0.038 517 1HBD HEC 93 1HBD HEC 93 12.598 0.905 -0.054 518 2HBD HEC 93 2HBD HEC 93 11.714 2.373 -0.459 Start of MODEL 17 1 1H VAL 22 1H VAL 22 -14.650 4.709 -1.197 2 2H VAL 22 2H VAL 22 -14.074 4.695 0.344 3 3H VAL 22 3H VAL 22 -14.382 6.149 -0.406 4 HA VAL 22 HA VAL 22 -12.679 5.653 -2.025 5 HB VAL 22 HB VAL 22 -11.833 5.621 0.897 6 1HG1 VAL 22 1HG1 VAL 22 -9.605 6.341 -0.051 7 2HG1 VAL 22 2HG1 VAL 22 -9.964 4.623 -0.255 8 3HG1 VAL 22 3HG1 VAL 22 -10.135 5.744 -1.630 9 1HG2 VAL 22 1HG2 VAL 22 -11.240 7.960 0.425 10 2HG2 VAL 22 2HG2 VAL 22 -11.706 7.774 -1.271 11 3HG2 VAL 22 3HG2 VAL 22 -12.941 7.710 0.008 12 H ASP 23 H ASP 23 -12.581 3.879 -3.211 13 HA ASP 23 HA ASP 23 -12.827 1.251 -2.159 14 1HB ASP 23 1HB ASP 23 -12.225 2.398 -4.904 15 2HB ASP 23 2HB ASP 23 -12.445 0.668 -4.595 16 H ALA 24 H ALA 24 -11.189 0.605 -0.883 17 HA ALA 24 HA ALA 24 -8.615 1.344 -0.728 18 1HB ALA 24 1HB ALA 24 -9.505 -1.572 -0.482 19 2HB ALA 24 2HB ALA 24 -8.126 -0.768 0.303 20 3HB ALA 24 3HB ALA 24 -9.794 -0.366 0.767 21 H GLU 25 H GLU 25 -9.722 -1.411 -2.772 22 HA GLU 25 HA GLU 25 -7.119 -1.915 -3.777 23 1HB GLU 25 1HB GLU 25 -8.010 -3.591 -5.019 24 2HB GLU 25 2HB GLU 25 -9.291 -3.392 -3.809 25 1HG GLU 25 1HG GLU 25 -10.568 -2.038 -5.397 26 2HG GLU 25 2HG GLU 25 -9.291 -2.317 -6.642 27 H ALA 26 H ALA 26 -9.783 0.178 -4.975 28 HA ALA 26 HA ALA 26 -8.625 0.839 -7.473 29 1HB ALA 26 1HB ALA 26 -10.285 2.729 -5.809 30 2HB ALA 26 2HB ALA 26 -10.082 2.695 -7.561 31 3HB ALA 26 3HB ALA 26 -10.977 1.382 -6.766 32 H VAL 27 H VAL 27 -8.261 2.331 -4.222 33 HA VAL 27 HA VAL 27 -6.319 4.366 -4.936 34 HB VAL 27 HB VAL 27 -6.440 2.727 -2.364 35 1HG1 VAL 27 1HG1 VAL 27 -5.120 5.387 -3.037 36 2HG1 VAL 27 2HG1 VAL 27 -5.256 4.704 -1.420 37 3HG1 VAL 27 3HG1 VAL 27 -4.279 3.872 -2.639 38 1HG2 VAL 27 1HG2 VAL 27 -7.649 4.659 -1.448 39 2HG2 VAL 27 2HG2 VAL 27 -7.664 5.434 -3.048 40 3HG2 VAL 27 3HG2 VAL 27 -8.576 3.938 -2.767 41 H VAL 28 H VAL 28 -5.613 0.813 -3.936 42 HA VAL 28 HA VAL 28 -2.959 1.554 -4.482 43 HB VAL 28 HB VAL 28 -4.185 -1.159 -4.251 44 1HG1 VAL 28 1HG1 VAL 28 -1.295 -0.418 -3.644 45 2HG1 VAL 28 2HG1 VAL 28 -1.965 -2.023 -3.710 46 3HG1 VAL 28 3HG1 VAL 28 -1.859 -1.095 -5.197 47 1HG2 VAL 28 1HG2 VAL 28 -3.184 0.947 -2.298 48 2HG2 VAL 28 2HG2 VAL 28 -4.638 -0.080 -2.184 49 3HG2 VAL 28 3HG2 VAL 28 -3.026 -0.725 -1.830 50 H GLN 29 H GLN 29 -5.286 0.007 -6.427 51 HA GLN 29 HA GLN 29 -3.835 -0.474 -8.817 52 1HB GLN 29 1HB GLN 29 -6.787 -0.158 -8.164 53 2HB GLN 29 2HB GLN 29 -6.240 -0.693 -9.724 54 1HG GLN 29 1HG GLN 29 -5.655 -2.144 -7.113 55 2HG GLN 29 2HG GLN 29 -6.882 -2.587 -8.303 56 1HE2 GLN 29 1HE2 GLN 29 -4.453 -4.110 -7.311 57 2HE2 GLN 29 2HE2 GLN 29 -3.459 -4.350 -8.746 58 H GLN 30 H GLN 30 -4.539 2.564 -7.476 59 HA GLN 30 HA GLN 30 -3.871 3.682 -10.170 60 1HB GLN 30 1HB GLN 30 -6.315 4.045 -9.058 61 2HB GLN 30 2HB GLN 30 -5.459 5.383 -8.287 62 1HG GLN 30 1HG GLN 30 -4.637 6.053 -10.619 63 2HG GLN 30 2HG GLN 30 -5.700 4.801 -11.280 64 1HE2 GLN 30 1HE2 GLN 30 -8.041 5.050 -9.865 65 2HE2 GLN 30 2HE2 GLN 30 -8.696 6.664 -10.097 66 H LYS 31 H LYS 31 -3.114 3.692 -6.780 67 HA LYS 31 HA LYS 31 -1.463 6.157 -6.994 68 1HB LYS 31 1HB LYS 31 -2.950 4.727 -4.755 69 2HB LYS 31 2HB LYS 31 -1.752 5.883 -4.405 70 1HG LYS 31 1HG LYS 31 -3.648 6.914 -6.426 71 2HG LYS 31 2HG LYS 31 -4.419 6.453 -4.906 72 1HD LYS 31 1HD LYS 31 -2.722 7.774 -3.644 73 2HD LYS 31 2HD LYS 31 -1.999 8.292 -5.184 74 1HE LYS 31 1HE LYS 31 -4.197 9.395 -5.759 75 2HE LYS 31 2HE LYS 31 -4.838 8.862 -4.192 76 1HZ LYS 31 1HZ LYS 31 -3.009 10.128 -3.155 77 2HZ LYS 31 2HZ LYS 31 -2.609 10.737 -4.621 78 3HZ LYS 31 3HZ LYS 31 -4.087 11.077 -3.975 79 H CYS 32 H CYS 32 -1.239 2.668 -6.581 80 HA CYS 32 HA CYS 32 1.553 2.984 -5.551 81 1HB CYS 32 1HB CYS 32 -0.189 0.617 -5.153 82 2HB CYS 32 2HB CYS 32 1.206 1.076 -4.196 83 H ILE 33 H ILE 33 -0.592 0.989 -7.623 84 HA ILE 33 HA ILE 33 1.310 -0.721 -8.692 85 HB ILE 33 HB ILE 33 -0.025 -0.749 -10.753 86 1HG1 ILE 33 1HG1 ILE 33 -1.938 1.237 -9.503 87 2HG1 ILE 33 2HG1 ILE 33 -0.719 1.716 -10.682 88 1HG2 ILE 33 1HG2 ILE 33 -1.608 -0.951 -8.167 89 2HG2 ILE 33 2HG2 ILE 33 -2.035 -1.714 -9.711 90 3HG2 ILE 33 3HG2 ILE 33 -0.551 -2.174 -8.882 91 1HD1 ILE 33 1HD1 ILE 33 -2.726 1.332 -11.899 92 2HD1 ILE 33 2HD1 ILE 33 -1.572 0.059 -12.311 93 3HD1 ILE 33 3HD1 ILE 33 -2.923 -0.293 -11.215 94 H SER 34 H SER 34 0.868 2.711 -9.415 95 HA SER 34 HA SER 34 2.309 3.270 -11.587 96 1HB SER 34 1HB SER 34 2.665 4.631 -8.892 97 2HB SER 34 2HB SER 34 2.768 5.387 -10.494 98 HG SER 34 HG SER 34 0.537 4.947 -10.746 99 H CYS 35 H CYS 35 3.718 2.118 -8.501 100 HA CYS 35 HA CYS 35 6.338 1.839 -9.920 101 1HB CYS 35 1HB CYS 35 6.194 2.177 -6.918 102 2HB CYS 35 2HB CYS 35 7.567 2.310 -7.993 103 H HIS 36 H HIS 36 4.079 0.459 -7.478 104 HA HIS 36 HA HIS 36 5.658 -1.940 -7.181 105 1HB HIS 36 1HB HIS 36 2.918 -1.102 -6.267 106 2HB HIS 36 2HB HIS 36 3.617 -2.688 -5.888 107 HD1 HIS 36 1HD HIS 36 5.809 -2.700 -4.230 108 HD2 HIS 36 2HD HIS 36 3.744 0.957 -4.768 109 HE1 HIS 36 1HE HIS 36 6.492 -1.165 -2.325 110 H GLY 37 H GLY 37 3.562 -1.065 -9.739 111 1HA GLY 37 1HA GLY 37 4.047 -2.374 -11.643 112 2HA GLY 37 2HA GLY 37 3.812 -3.871 -10.745 113 H GLY 38 H GLY 38 1.604 -4.380 -10.058 114 1HA GLY 38 1HA GLY 38 -0.693 -3.073 -11.333 115 2HA GLY 38 2HA GLY 38 -0.168 -4.561 -12.136 116 H ASP 39 H ASP 39 0.254 -6.454 -10.557 117 HA ASP 39 HA ASP 39 -1.969 -6.745 -8.660 118 1HB ASP 39 1HB ASP 39 0.081 -8.595 -9.888 119 2HB ASP 39 2HB ASP 39 -0.825 -9.076 -8.445 120 H LEU 40 H LEU 40 0.779 -5.117 -8.323 121 HA LEU 40 HA LEU 40 2.159 -4.491 -6.666 122 1HB LEU 40 1HB LEU 40 0.256 -5.861 -4.708 123 2HB LEU 40 2HB LEU 40 1.513 -4.681 -4.393 124 HG LEU 40 HG LEU 40 -0.392 -3.427 -4.295 125 1HD1 LEU 40 1HD1 LEU 40 1.243 -2.336 -5.703 126 2HD1 LEU 40 2HD1 LEU 40 0.572 -3.082 -7.173 127 3HD1 LEU 40 3HD1 LEU 40 -0.354 -1.902 -6.293 128 1HD2 LEU 40 1HD2 LEU 40 -2.291 -3.432 -5.675 129 2HD2 LEU 40 2HD2 LEU 40 -1.574 -4.563 -6.820 130 3HD2 LEU 40 3HD2 LEU 40 -1.954 -5.094 -5.159 131 H THR 41 H THR 41 2.496 -6.955 -8.080 132 HA THR 41 HA THR 41 3.888 -8.840 -6.444 133 HB THR 41 HB THR 41 4.578 -9.491 -8.881 134 HG1 THR 41 1HG THR 41 4.236 -7.540 -9.915 135 1HG2 THR 41 1HG2 THR 41 2.710 -10.595 -7.730 136 2HG2 THR 41 2HG2 THR 41 1.634 -9.234 -8.079 137 3HG2 THR 41 3HG2 THR 41 2.238 -10.242 -9.405 138 H GLY 42 H GLY 42 4.678 -5.633 -7.636 139 1HA GLY 42 1HA GLY 42 6.498 -4.505 -6.812 140 2HA GLY 42 2HA GLY 42 7.399 -6.004 -6.551 141 H ALA 43 H ALA 43 6.740 -3.435 -8.767 142 HA ALA 43 HA ALA 43 8.357 -4.725 -10.935 143 1HB ALA 43 1HB ALA 43 7.466 -2.901 -12.352 144 2HB ALA 43 2HB ALA 43 6.211 -3.964 -11.687 145 3HB ALA 43 3HB ALA 43 6.457 -2.353 -10.996 146 H SER 44 H SER 44 7.952 -1.316 -9.923 147 HA SER 44 HA SER 44 10.887 -0.888 -10.083 148 1HB SER 44 1HB SER 44 8.638 1.112 -9.670 149 2HB SER 44 2HB SER 44 10.327 1.461 -10.058 150 HG SER 44 HG SER 44 8.484 0.024 -11.689 151 H ALA 45 H ALA 45 8.876 -2.062 -7.784 152 HA ALA 45 HA ALA 45 10.264 -0.930 -5.460 153 1HB ALA 45 1HB ALA 45 8.062 -0.433 -4.414 154 2HB ALA 45 2HB ALA 45 8.284 0.548 -5.872 155 3HB ALA 45 3HB ALA 45 7.245 -0.875 -5.924 156 HA PRO 46 HA PRO 46 9.853 -5.231 -4.488 157 1HB PRO 46 1HB PRO 46 9.386 -5.335 -1.758 158 2HB PRO 46 2HB PRO 46 10.961 -4.915 -2.492 159 1HG PRO 46 1HG PRO 46 8.800 -3.033 -1.541 160 2HG PRO 46 2HG PRO 46 10.545 -2.980 -1.144 161 1HD PRO 46 1HD PRO 46 9.491 -1.427 -3.093 162 2HD PRO 46 2HD PRO 46 11.075 -2.207 -3.360 163 H ALA 47 H ALA 47 8.376 -6.917 -3.680 164 HA ALA 47 HA ALA 47 5.713 -6.513 -4.618 165 1HB ALA 47 1HB ALA 47 6.972 -8.699 -4.663 166 2HB ALA 47 2HB ALA 47 6.817 -8.785 -2.901 167 3HB ALA 47 3HB ALA 47 5.363 -8.823 -3.921 168 H ILE 48 H ILE 48 3.965 -5.766 -3.528 169 HA ILE 48 HA ILE 48 4.005 -5.878 -0.556 170 HB ILE 48 HB ILE 48 2.870 -3.704 -0.387 171 1HG1 ILE 48 1HG1 ILE 48 3.439 -2.080 -2.345 172 2HG1 ILE 48 2HG1 ILE 48 3.446 -3.513 -3.355 173 1HG2 ILE 48 1HG2 ILE 48 4.924 -2.417 -0.620 174 2HG2 ILE 48 2HG2 ILE 48 5.258 -4.014 0.056 175 3HG2 ILE 48 3HG2 ILE 48 5.635 -3.668 -1.645 176 1HD1 ILE 48 1HD1 ILE 48 1.308 -2.289 -3.357 177 2HD1 ILE 48 2HD1 ILE 48 1.016 -3.810 -2.460 178 3HD1 ILE 48 3HD1 ILE 48 1.272 -2.271 -1.600 179 H ASP 49 H ASP 49 2.481 -7.081 -3.264 180 HA ASP 49 HA ASP 49 -0.170 -7.277 -2.315 181 1HB ASP 49 1HB ASP 49 -0.452 -8.871 -3.892 182 2HB ASP 49 2HB ASP 49 1.087 -8.270 -4.497 183 H LYS 50 H LYS 50 2.772 -8.911 -1.283 184 HA LYS 50 HA LYS 50 1.336 -10.465 0.798 185 1HB LYS 50 1HB LYS 50 3.703 -10.981 -0.828 186 2HB LYS 50 2HB LYS 50 4.116 -11.045 0.875 187 1HG LYS 50 1HG LYS 50 3.523 -13.234 0.221 188 2HG LYS 50 2HG LYS 50 2.232 -12.668 1.277 189 1HD LYS 50 1HD LYS 50 1.838 -12.111 -1.622 190 2HD LYS 50 2HD LYS 50 1.928 -13.827 -1.250 191 1HE LYS 50 1HE LYS 50 0.002 -13.839 0.083 192 2HE LYS 50 2HE LYS 50 0.086 -12.122 0.444 193 1HZ LYS 50 1HZ LYS 50 -0.372 -11.790 -1.994 194 2HZ LYS 50 2HZ LYS 50 -0.905 -13.333 -1.994 195 3HZ LYS 50 3HZ LYS 50 -1.603 -12.210 -0.977 196 H ALA 51 H ALA 51 2.263 -7.409 0.671 197 HA ALA 51 HA ALA 51 3.983 -6.936 2.842 198 1HB ALA 51 1HB ALA 51 2.735 -4.794 3.055 199 2HB ALA 51 2HB ALA 51 3.160 -5.175 1.376 200 3HB ALA 51 3HB ALA 51 1.498 -5.438 1.954 201 H GLY 52 H GLY 52 0.380 -7.298 2.826 202 1HA GLY 52 1HA GLY 52 -0.171 -7.081 5.509 203 2HA GLY 52 2HA GLY 52 -1.028 -8.149 4.375 204 H ALA 53 H ALA 53 1.481 -9.834 3.990 205 HA ALA 53 HA ALA 53 0.892 -11.651 6.238 206 1HB ALA 53 1HB ALA 53 2.172 -13.264 4.969 207 2HB ALA 53 2HB ALA 53 0.997 -12.476 3.899 208 3HB ALA 53 3HB ALA 53 2.713 -12.016 3.829 209 H ASN 54 H ASN 54 3.368 -9.396 5.197 210 HA ASN 54 HA ASN 54 5.447 -10.545 7.006 211 1HB ASN 54 1HB ASN 54 5.506 -8.355 4.877 212 2HB ASN 54 2HB ASN 54 6.850 -8.749 5.950 213 1HD2 ASN 54 1HD2 ASN 54 4.752 -10.132 3.337 214 2HD2 ASN 54 2HD2 ASN 54 5.975 -11.305 2.863 215 H TYR 55 H TYR 55 3.709 -7.547 6.302 216 HA TYR 55 HA TYR 55 4.533 -6.317 8.862 217 1HB TYR 55 1HB TYR 55 3.602 -4.855 6.382 218 2HB TYR 55 2HB TYR 55 4.527 -4.220 7.740 219 HD1 TYR 55 1HD TYR 55 4.817 -4.694 4.401 220 HD2 TYR 55 2HD TYR 55 6.859 -5.868 8.014 221 HE1 TYR 55 1HE TYR 55 6.925 -4.952 3.126 222 HE2 TYR 55 2HE TYR 55 8.954 -6.168 6.717 223 HH TYR 55 HH TYR 55 9.333 -5.073 3.404 224 H SER 56 H SER 56 2.832 -5.210 10.004 225 HA SER 56 HA SER 56 0.110 -6.254 9.401 226 1HB SER 56 1HB SER 56 1.356 -4.877 11.799 227 2HB SER 56 2HB SER 56 -0.390 -5.163 11.670 228 HG SER 56 HG SER 56 0.770 -6.862 12.716 229 H GLU 57 H GLU 57 -1.768 -4.787 9.660 230 HA GLU 57 HA GLU 57 -1.739 -2.885 7.644 231 1HB GLU 57 1HB GLU 57 -3.964 -2.326 8.185 232 2HB GLU 57 2HB GLU 57 -3.801 -4.022 8.516 233 1HG GLU 57 1HG GLU 57 -4.928 -3.488 10.366 234 2HG GLU 57 2HG GLU 57 -3.331 -3.147 11.030 235 H GLU 58 H GLU 58 -1.468 -2.254 11.165 236 HA GLU 58 HA GLU 58 -1.113 0.441 11.258 237 1HB GLU 58 1HB GLU 58 0.316 -0.006 13.258 238 2HB GLU 58 2HB GLU 58 -1.177 -0.947 13.203 239 1HG GLU 58 1HG GLU 58 0.269 -2.869 12.208 240 2HG GLU 58 2HG GLU 58 1.655 -1.901 12.750 241 H GLU 59 H GLU 59 1.530 -1.883 10.506 242 HA GLU 59 HA GLU 59 3.590 0.080 10.240 243 1HB GLU 59 1HB GLU 59 3.326 -2.713 9.026 244 2HB GLU 59 2HB GLU 59 4.822 -1.791 9.140 245 1HG GLU 59 1HG GLU 59 4.609 -1.788 11.637 246 2HG GLU 59 2HG GLU 59 3.165 -2.808 11.479 247 H ILE 60 H ILE 60 1.473 -1.554 7.905 248 HA ILE 60 HA ILE 60 2.711 -0.436 5.553 249 HB ILE 60 HB ILE 60 -0.091 -1.527 5.910 250 1HG1 ILE 60 1HG1 ILE 60 2.416 -2.965 4.922 251 2HG1 ILE 60 2HG1 ILE 60 1.807 -3.112 6.564 252 1HG2 ILE 60 1HG2 ILE 60 1.332 -1.822 3.291 253 2HG2 ILE 60 2HG2 ILE 60 -0.376 -1.529 3.637 254 3HG2 ILE 60 3HG2 ILE 60 0.796 -0.198 3.686 255 1HD1 ILE 60 1HD1 ILE 60 0.319 -3.980 4.084 256 2HD1 ILE 60 2HD1 ILE 60 1.092 -5.007 5.304 257 3HD1 ILE 60 3HD1 ILE 60 -0.323 -4.032 5.748 258 H LEU 61 H LEU 61 -0.132 0.437 7.500 259 HA LEU 61 HA LEU 61 -1.085 2.705 6.195 260 1HB LEU 61 1HB LEU 61 -2.116 1.516 8.131 261 2HB LEU 61 2HB LEU 61 -0.895 2.179 9.195 262 HG LEU 61 HG LEU 61 -1.694 4.477 8.693 263 1HD1 LEU 61 1HD1 LEU 61 -3.933 4.709 7.600 264 2HD1 LEU 61 2HD1 LEU 61 -2.721 4.062 6.486 265 3HD1 LEU 61 3HD1 LEU 61 -3.898 2.969 7.228 266 1HD2 LEU 61 1HD2 LEU 61 -3.806 2.523 9.706 267 2HD2 LEU 61 2HD2 LEU 61 -2.502 3.244 10.672 268 3HD2 LEU 61 3HD2 LEU 61 -3.782 4.275 10.004 269 H ASP 62 H ASP 62 1.334 2.486 8.850 270 HA ASP 62 HA ASP 62 2.000 5.234 8.829 271 1HB ASP 62 1HB ASP 62 3.027 2.873 10.132 272 2HB ASP 62 2HB ASP 62 4.388 3.734 9.417 273 H ILE 63 H ILE 63 3.328 2.524 6.894 274 HA ILE 63 HA ILE 63 5.345 4.165 5.618 275 HB ILE 63 HB ILE 63 4.140 1.452 5.079 276 1HG1 ILE 63 1HG1 ILE 63 7.051 2.263 5.335 277 2HG1 ILE 63 2HG1 ILE 63 6.028 2.082 6.768 278 1HG2 ILE 63 1HG2 ILE 63 4.339 2.162 2.833 279 2HG2 ILE 63 2HG2 ILE 63 5.890 2.995 3.132 280 3HG2 ILE 63 3HG2 ILE 63 5.800 1.238 3.172 281 1HD1 ILE 63 1HD1 ILE 63 7.263 0.021 6.346 282 2HD1 ILE 63 2HD1 ILE 63 5.515 -0.241 6.186 283 3HD1 ILE 63 3HD1 ILE 63 6.539 -0.130 4.739 284 H ILE 64 H ILE 64 1.939 3.519 4.752 285 HA ILE 64 HA ILE 64 2.105 4.809 2.181 286 HB ILE 64 HB ILE 64 -0.194 4.307 4.107 287 1HG1 ILE 64 1HG1 ILE 64 0.253 2.923 1.464 288 2HG1 ILE 64 2HG1 ILE 64 1.251 2.417 2.825 289 1HG2 ILE 64 1HG2 ILE 64 -0.186 5.390 1.276 290 2HG2 ILE 64 2HG2 ILE 64 -1.610 4.609 1.996 291 3HG2 ILE 64 3HG2 ILE 64 -0.957 6.088 2.717 292 1HD1 ILE 64 1HD1 ILE 64 -0.731 1.046 2.708 293 2HD1 ILE 64 2HD1 ILE 64 -0.724 1.966 4.199 294 3HD1 ILE 64 3HD1 ILE 64 -1.786 2.477 2.892 295 H LEU 65 H LEU 65 1.275 5.968 5.444 296 HA LEU 65 HA LEU 65 0.758 8.688 4.648 297 1HB LEU 65 1HB LEU 65 1.465 7.398 7.301 298 2HB LEU 65 2HB LEU 65 0.953 9.078 7.140 299 HG LEU 65 HG LEU 65 -0.840 6.809 6.100 300 1HD1 LEU 65 1HD1 LEU 65 -1.973 6.871 8.282 301 2HD1 LEU 65 2HD1 LEU 65 -0.287 6.360 8.490 302 3HD1 LEU 65 3HD1 LEU 65 -0.765 8.016 8.907 303 1HD2 LEU 65 1HD2 LEU 65 -1.391 9.641 7.082 304 2HD2 LEU 65 2HD2 LEU 65 -1.364 9.103 5.389 305 3HD2 LEU 65 3HD2 LEU 65 -2.586 8.460 6.511 306 H ASN 66 H ASN 66 3.664 7.016 5.796 307 HA ASN 66 HA ASN 66 5.209 9.505 6.154 308 1HB ASN 66 1HB ASN 66 5.782 6.552 6.662 309 2HB ASN 66 2HB ASN 66 7.012 7.775 6.795 310 1HD2 ASN 66 1HD2 ASN 66 3.789 6.973 8.023 311 2HD2 ASN 66 2HD2 ASN 66 4.204 7.234 9.683 312 H GLY 67 H GLY 67 5.142 6.665 4.027 313 1HA GLY 67 1HA GLY 67 6.071 6.597 1.840 314 2HA GLY 67 2HA GLY 67 7.331 7.744 2.321 315 H GLN 68 H GLN 68 8.734 6.081 1.486 316 HA GLN 68 HA GLN 68 9.911 4.404 3.520 317 1HB GLN 68 1HB GLN 68 8.467 2.516 2.540 318 2HB GLN 68 2HB GLN 68 8.731 3.201 0.966 319 1HG GLN 68 1HG GLN 68 9.838 1.180 1.465 320 2HG GLN 68 2HG GLN 68 10.968 2.439 0.911 321 1HE2 GLN 68 1HE2 GLN 68 9.829 0.334 3.550 322 2HE2 GLN 68 2HE2 GLN 68 11.328 0.464 4.445 323 H GLY 69 H GLY 69 12.232 3.949 2.569 324 1HA GLY 69 1HA GLY 69 13.650 6.040 1.906 325 2HA GLY 69 2HA GLY 69 14.039 4.461 1.217 326 H GLY 70 H GLY 70 12.777 3.950 -0.908 327 1HA GLY 70 1HA GLY 70 13.036 6.248 -2.748 328 2HA GLY 70 2HA GLY 70 12.901 4.538 -3.152 329 H MET 71 H MET 71 10.630 6.056 -0.917 330 HA MET 71 HA MET 71 8.491 6.059 -3.009 331 1HB MET 71 1HB MET 71 8.536 4.000 -1.702 332 2HB MET 71 2HB MET 71 8.528 4.934 -0.228 333 1HG MET 71 1HG MET 71 6.340 5.745 -0.552 334 2HG MET 71 2HG MET 71 6.196 5.035 -2.155 335 1HE MET 71 1HE MET 71 3.888 3.270 0.750 336 2HE MET 71 2HE MET 71 4.635 4.864 0.976 337 3HE MET 71 3HE MET 71 3.859 4.458 -0.567 338 HA PRO 72 HA PRO 72 7.770 10.071 -1.029 339 1HB PRO 72 1HB PRO 72 5.381 10.760 -2.241 340 2HB PRO 72 2HB PRO 72 6.979 10.880 -3.032 341 1HG PRO 72 1HG PRO 72 4.954 8.658 -3.270 342 2HG PRO 72 2HG PRO 72 5.859 9.455 -4.582 343 1HD PRO 72 1HD PRO 72 6.601 7.066 -3.526 344 2HD PRO 72 2HD PRO 72 7.837 8.266 -4.036 345 H GLY 73 H GLY 73 6.248 11.017 0.518 346 1HA GLY 73 1HA GLY 73 4.718 8.989 2.034 347 2HA GLY 73 2HA GLY 73 5.479 10.470 2.661 348 H GLY 74 H GLY 74 2.674 9.418 2.546 349 1HA GLY 74 1HA GLY 74 0.632 10.487 2.745 350 2HA GLY 74 2HA GLY 74 1.389 12.011 2.249 351 H ILE 75 H ILE 75 1.736 9.152 0.290 352 HA ILE 75 HA ILE 75 0.582 10.078 -2.122 353 HB ILE 75 HB ILE 75 0.911 7.288 -0.927 354 1HG1 ILE 75 1HG1 ILE 75 2.613 8.757 -2.985 355 2HG1 ILE 75 2HG1 ILE 75 3.010 8.604 -1.266 356 1HG2 ILE 75 1HG2 ILE 75 0.756 6.494 -3.335 357 2HG2 ILE 75 2HG2 ILE 75 -0.749 7.059 -2.631 358 3HG2 ILE 75 3HG2 ILE 75 0.154 8.102 -3.761 359 1HD1 ILE 75 1HD1 ILE 75 4.208 6.803 -2.085 360 2HD1 ILE 75 2HD1 ILE 75 2.668 6.006 -1.726 361 3HD1 ILE 75 3HD1 ILE 75 3.055 6.507 -3.387 362 H ALA 76 H ALA 76 -0.715 8.334 0.654 363 HA ALA 76 HA ALA 76 -3.538 8.869 -0.054 364 1HB ALA 76 1HB ALA 76 -3.644 6.384 1.075 365 2HB ALA 76 2HB ALA 76 -3.516 6.630 -0.692 366 3HB ALA 76 3HB ALA 76 -2.089 6.248 0.261 367 H LYS 77 H LYS 77 -4.685 9.449 1.885 368 HA LYS 77 HA LYS 77 -3.446 9.036 4.472 369 1HB LYS 77 1HB LYS 77 -3.903 11.560 4.898 370 2HB LYS 77 2HB LYS 77 -2.360 11.022 4.219 371 1HG LYS 77 1HG LYS 77 -3.122 11.634 1.949 372 2HG LYS 77 2HG LYS 77 -4.674 12.191 2.625 373 1HD LYS 77 1HD LYS 77 -3.430 13.898 3.972 374 2HD LYS 77 2HD LYS 77 -1.899 13.187 3.458 375 1HE LYS 77 1HE LYS 77 -2.158 15.144 2.146 376 2HE LYS 77 2HE LYS 77 -2.415 13.764 1.075 377 1HZ LYS 77 1HZ LYS 77 -4.050 15.457 0.712 378 2HZ LYS 77 2HZ LYS 77 -4.809 14.141 1.342 379 3HZ LYS 77 3HZ LYS 77 -4.511 15.456 2.288 380 H GLY 78 H GLY 78 -4.954 9.325 6.200 381 1HA GLY 78 1HA GLY 78 -7.023 9.047 7.142 382 2HA GLY 78 2HA GLY 78 -7.679 10.064 5.843 383 H ALA 79 H ALA 79 -9.398 8.928 5.074 384 HA ALA 79 HA ALA 79 -9.959 6.259 5.176 385 1HB ALA 79 1HB ALA 79 -10.710 8.191 2.932 386 2HB ALA 79 2HB ALA 79 -11.516 6.649 3.293 387 3HB ALA 79 3HB ALA 79 -11.579 7.973 4.472 388 H GLU 80 H GLU 80 -8.215 7.859 2.370 389 HA GLU 80 HA GLU 80 -7.782 5.554 0.866 390 1HB GLU 80 1HB GLU 80 -6.078 8.026 1.372 391 2HB GLU 80 2HB GLU 80 -5.630 6.735 0.244 392 1HG GLU 80 1HG GLU 80 -6.505 8.486 -1.034 393 2HG GLU 80 2HG GLU 80 -7.625 7.132 -1.103 394 H ALA 81 H ALA 81 -5.570 6.799 3.479 395 HA ALA 81 HA ALA 81 -3.729 4.671 3.058 396 1HB ALA 81 1HB ALA 81 -3.258 6.895 4.009 397 2HB ALA 81 2HB ALA 81 -4.146 6.461 5.483 398 3HB ALA 81 3HB ALA 81 -2.645 5.597 5.016 399 H GLU 82 H GLU 82 -6.397 5.180 5.372 400 HA GLU 82 HA GLU 82 -6.135 2.833 6.965 401 1HB GLU 82 1HB GLU 82 -8.459 4.599 6.106 402 2HB GLU 82 2HB GLU 82 -8.712 3.198 7.132 403 1HG GLU 82 1HG GLU 82 -7.160 4.084 8.814 404 2HG GLU 82 2HG GLU 82 -6.799 5.482 7.783 405 H ALA 83 H ALA 83 -8.198 3.416 4.123 406 HA ALA 83 HA ALA 83 -9.249 0.846 3.824 407 1HB ALA 83 1HB ALA 83 -8.667 2.932 1.669 408 2HB ALA 83 2HB ALA 83 -9.829 1.604 1.543 409 3HB ALA 83 3HB ALA 83 -10.106 2.876 2.715 410 H VAL 84 H VAL 84 -6.381 2.295 2.181 411 HA VAL 84 HA VAL 84 -5.498 0.010 0.786 412 HB VAL 84 HB VAL 84 -3.911 2.261 2.091 413 1HG1 VAL 84 1HG1 VAL 84 -2.940 0.123 0.142 414 2HG1 VAL 84 2HG1 VAL 84 -2.028 1.523 0.741 415 3HG1 VAL 84 3HG1 VAL 84 -2.458 0.199 1.824 416 1HG2 VAL 84 1HG2 VAL 84 -3.490 2.898 -0.290 417 2HG2 VAL 84 2HG2 VAL 84 -4.671 1.672 -0.788 418 3HG2 VAL 84 3HG2 VAL 84 -5.205 3.046 0.164 419 H ALA 85 H ALA 85 -4.418 1.098 4.075 420 HA ALA 85 HA ALA 85 -2.644 -1.013 4.573 421 1HB ALA 85 1HB ALA 85 -4.374 0.537 6.548 422 2HB ALA 85 2HB ALA 85 -2.932 -0.420 6.928 423 3HB ALA 85 3HB ALA 85 -2.791 1.023 5.902 424 H ALA 86 H ALA 86 -6.110 -0.784 5.549 425 HA ALA 86 HA ALA 86 -6.305 -3.357 6.714 426 1HB ALA 86 1HB ALA 86 -8.424 -1.693 5.284 427 2HB ALA 86 2HB ALA 86 -8.740 -3.073 6.359 428 3HB ALA 86 3HB ALA 86 -7.986 -1.600 7.002 429 H TRP 87 H TRP 87 -7.092 -2.298 3.362 430 HA TRP 87 HA TRP 87 -7.873 -4.860 2.394 431 1HB TRP 87 1HB TRP 87 -8.469 -2.775 1.353 432 2HB TRP 87 2HB TRP 87 -6.752 -2.414 1.064 433 HD1 TRP 87 HD TRP 87 -9.562 -4.509 -0.576 434 HE1 TRP 87 1HE TRP 87 -8.718 -5.283 -2.842 435 HE3 TRP 87 3HE TRP 87 -4.770 -2.701 -0.348 436 HZ2 TRP 87 2HZ TRP 87 -5.035 -5.288 -3.097 437 HZ3 TRP 87 3HZ TRP 87 -3.507 -2.615 -2.492 438 HH2 TRP 87 HH TRP 87 -4.450 -3.514 -4.567 439 H LEU 88 H LEU 88 -4.675 -3.328 2.674 440 HA LEU 88 HA LEU 88 -3.426 -5.437 1.103 441 1HB LEU 88 1HB LEU 88 -2.514 -2.881 2.109 442 2HB LEU 88 2HB LEU 88 -1.483 -4.148 2.780 443 HG LEU 88 HG LEU 88 -1.380 -5.164 0.458 444 1HD1 LEU 88 1HD1 LEU 88 -2.642 -2.588 -0.303 445 2HD1 LEU 88 2HD1 LEU 88 -1.717 -3.594 -1.443 446 3HD1 LEU 88 3HD1 LEU 88 -3.134 -4.297 -0.679 447 1HD2 LEU 88 1HD2 LEU 88 0.458 -3.566 1.351 448 2HD2 LEU 88 2HD2 LEU 88 0.223 -3.808 -0.410 449 3HD2 LEU 88 3HD2 LEU 88 -0.386 -2.323 0.365 450 H ALA 89 H ALA 89 -3.794 -4.709 4.509 451 HA ALA 89 HA ALA 89 -2.442 -6.950 5.588 452 1HB ALA 89 1HB ALA 89 -3.070 -5.219 6.971 453 2HB ALA 89 2HB ALA 89 -4.815 -5.416 6.645 454 3HB ALA 89 3HB ALA 89 -3.924 -6.673 7.535 455 H GLU 90 H GLU 90 -5.792 -6.700 4.220 456 HA GLU 90 HA GLU 90 -6.237 -9.486 4.909 457 1HB GLU 90 1HB GLU 90 -8.390 -9.178 4.352 458 2HB GLU 90 2HB GLU 90 -7.842 -7.556 4.809 459 1HG GLU 90 1HG GLU 90 -9.034 -7.077 2.905 460 2HG GLU 90 2HG GLU 90 -7.411 -7.302 2.241 461 H LYS 91 H LYS 91 -4.318 -8.232 2.455 462 HA LYS 91 HA LYS 91 -5.110 -9.874 0.253 463 1HB LYS 91 1HB LYS 91 -3.763 -7.506 0.551 464 2HB LYS 91 2HB LYS 91 -2.385 -8.546 0.503 465 1HG LYS 91 1HG LYS 91 -3.009 -7.526 -1.690 466 2HG LYS 91 2HG LYS 91 -2.961 -9.286 -1.774 467 1HD LYS 91 1HD LYS 91 -4.962 -8.063 -2.889 468 2HD LYS 91 2HD LYS 91 -5.331 -9.469 -1.888 469 1HE LYS 91 1HE LYS 91 -5.811 -7.906 0.078 470 2HE LYS 91 2HE LYS 91 -5.456 -6.552 -0.995 471 1HZ LYS 91 1HZ LYS 91 -7.427 -7.612 -2.321 472 2HZ LYS 91 2HZ LYS 91 -7.701 -8.405 -0.867 473 3HZ LYS 91 3HZ LYS 91 -7.722 -6.810 -0.898 474 H LYS 92 H LYS 92 -4.130 -11.271 2.715 475 HA LYS 92 HA LYS 92 -1.290 -11.363 2.166 476 1HB LYS 92 1HB LYS 92 -1.132 -11.123 4.443 477 2HB LYS 92 2HB LYS 92 -2.519 -10.142 3.870 478 1HG LYS 92 1HG LYS 92 -4.070 -11.812 4.760 479 2HG LYS 92 2HG LYS 92 -2.763 -12.930 5.167 480 1HD LYS 92 1HD LYS 92 -2.189 -11.885 7.102 481 2HD LYS 92 2HD LYS 92 -2.373 -10.301 6.421 482 1HE LYS 92 1HE LYS 92 -4.108 -10.296 7.976 483 2HE LYS 92 2HE LYS 92 -4.985 -10.725 6.509 484 1HZ LYS 92 1HZ LYS 92 -5.604 -12.152 8.268 485 2HZ LYS 92 2HZ LYS 92 -4.780 -13.039 7.147 486 3HZ LYS 92 3HZ LYS 92 -4.047 -12.605 8.561 487 HHA HEC 93 HHA HEC 93 8.690 -0.162 0.327 488 HHB HEC 93 HHB HEC 93 2.254 -0.047 0.721 489 HHC HEC 93 HHC HEC 93 2.319 4.315 -4.011 490 HHD HEC 93 HHD HEC 93 8.536 3.215 -5.011 491 1HMA HEC 93 1HMA HEC 93 4.736 -1.857 3.267 492 2HMA HEC 93 2HMA HEC 93 3.454 -0.662 3.035 493 3HMA HEC 93 3HMA HEC 93 3.480 -2.151 2.052 494 1HAA HEC 93 1HAA HEC 93 6.981 -1.845 3.061 495 2HAA HEC 93 2HAA HEC 93 8.077 -0.641 2.486 496 1HBA HEC 93 1HBA HEC 93 8.013 -2.099 0.327 497 2HBA HEC 93 2HBA HEC 93 7.400 -3.377 1.375 498 1HMB HEC 93 1HMB HEC 93 0.229 -0.223 -0.992 499 2HMB HEC 93 2HMB HEC 93 0.080 0.834 0.418 500 3HMB HEC 93 3HMB HEC 93 -0.825 1.174 -1.078 501 HAB HEC 93 HAB HEC 93 0.408 4.221 -3.246 502 1HBB HEC 93 1HBB HEC 93 -0.157 4.845 -0.993 503 2HBB HEC 93 2HBB HEC 93 -1.622 4.528 -1.942 504 3HBB HEC 93 3HBB HEC 93 -1.065 3.348 -0.744 505 1HMC HEC 93 1HMC HEC 93 3.117 5.954 -5.545 506 2HMC HEC 93 2HMC HEC 93 4.255 5.829 -6.882 507 3HMC HEC 93 3HMC HEC 93 3.110 4.519 -6.582 508 HAC HEC 93 HAC HEC 93 7.908 4.491 -6.524 509 1HBC HEC 93 1HBC HEC 93 7.718 6.672 -5.710 510 2HBC HEC 93 2HBC HEC 93 7.534 6.736 -7.466 511 3HBC HEC 93 3HBC HEC 93 6.111 6.921 -6.416 512 1HMD HEC 93 1HMD HEC 93 10.168 1.768 -5.159 513 2HMD HEC 93 2HMD HEC 93 11.251 2.564 -3.991 514 3HMD HEC 93 3HMD HEC 93 11.231 0.792 -4.157 515 1HAD HEC 93 1HAD HEC 93 10.993 -0.642 -1.410 516 2HAD HEC 93 2HAD HEC 93 10.651 0.310 -0.126 517 1HBD HEC 93 1HBD HEC 93 12.585 1.326 -0.259 518 2HBD HEC 93 2HBD HEC 93 11.669 2.346 -1.301 Start of MODEL 18 1 1H VAL 22 1H VAL 22 -14.779 3.927 -0.830 2 2H VAL 22 2H VAL 22 -14.074 4.046 0.656 3 3H VAL 22 3H VAL 22 -14.732 5.402 -0.058 4 HA VAL 22 HA VAL 22 -13.161 5.163 -1.847 5 HB VAL 22 HB VAL 22 -12.587 6.102 0.813 6 1HG1 VAL 22 1HG1 VAL 22 -10.136 6.167 0.732 7 2HG1 VAL 22 2HG1 VAL 22 -10.734 4.544 1.051 8 3HG1 VAL 22 3HG1 VAL 22 -10.121 4.968 -0.571 9 1HG2 VAL 22 1HG2 VAL 22 -11.350 6.804 -1.879 10 2HG2 VAL 22 2HG2 VAL 22 -12.882 7.456 -1.252 11 3HG2 VAL 22 3HG2 VAL 22 -11.359 7.817 -0.427 12 H ASP 23 H ASP 23 -12.754 3.477 -2.993 13 HA ASP 23 HA ASP 23 -12.754 0.922 -1.872 14 1HB ASP 23 1HB ASP 23 -12.432 1.974 -4.698 15 2HB ASP 23 2HB ASP 23 -12.655 0.266 -4.288 16 H ALA 24 H ALA 24 -11.039 0.369 -0.713 17 HA ALA 24 HA ALA 24 -8.508 1.213 -0.725 18 1HB ALA 24 1HB ALA 24 -9.507 -0.313 0.940 19 2HB ALA 24 2HB ALA 24 -9.308 -1.648 -0.211 20 3HB ALA 24 3HB ALA 24 -7.878 -0.755 0.395 21 H GLU 25 H GLU 25 -9.494 -1.739 -2.574 22 HA GLU 25 HA GLU 25 -6.902 -2.081 -3.685 23 1HB GLU 25 1HB GLU 25 -7.735 -3.771 -4.983 24 2HB GLU 25 2HB GLU 25 -8.867 -3.770 -3.626 25 1HG GLU 25 1HG GLU 25 -10.455 -2.451 -5.007 26 2HG GLU 25 2HG GLU 25 -9.304 -2.557 -6.396 27 H ALA 26 H ALA 26 -9.772 -0.253 -4.857 28 HA ALA 26 HA ALA 26 -8.808 0.401 -7.414 29 1HB ALA 26 1HB ALA 26 -10.432 2.110 -7.503 30 2HB ALA 26 2HB ALA 26 -11.151 0.774 -6.578 31 3HB ALA 26 3HB ALA 26 -10.532 2.231 -5.748 32 H VAL 27 H VAL 27 -8.430 2.137 -4.297 33 HA VAL 27 HA VAL 27 -6.782 4.331 -5.152 34 HB VAL 27 HB VAL 27 -6.560 2.672 -2.597 35 1HG1 VAL 27 1HG1 VAL 27 -4.497 3.962 -3.002 36 2HG1 VAL 27 2HG1 VAL 27 -5.464 5.427 -3.272 37 3HG1 VAL 27 3HG1 VAL 27 -5.424 4.657 -1.677 38 1HG2 VAL 27 1HG2 VAL 27 -8.799 3.750 -2.871 39 2HG2 VAL 27 2HG2 VAL 27 -7.861 4.448 -1.551 40 3HG2 VAL 27 3HG2 VAL 27 -7.994 5.313 -3.098 41 H VAL 28 H VAL 28 -5.690 0.973 -4.125 42 HA VAL 28 HA VAL 28 -3.070 1.876 -4.779 43 HB VAL 28 HB VAL 28 -4.269 -0.812 -4.097 44 1HG1 VAL 28 1HG1 VAL 28 -1.429 -0.663 -3.391 45 2HG1 VAL 28 2HG1 VAL 28 -2.337 -1.857 -4.303 46 3HG1 VAL 28 3HG1 VAL 28 -1.722 -0.468 -5.132 47 1HG2 VAL 28 1HG2 VAL 28 -2.744 0.261 -1.949 48 2HG2 VAL 28 2HG2 VAL 28 -3.549 1.651 -2.623 49 3HG2 VAL 28 3HG2 VAL 28 -4.513 0.253 -2.147 50 H GLN 29 H GLN 29 -5.324 -0.079 -6.457 51 HA GLN 29 HA GLN 29 -3.957 -0.662 -8.867 52 1HB GLN 29 1HB GLN 29 -6.876 -0.391 -8.057 53 2HB GLN 29 2HB GLN 29 -6.437 -0.928 -9.648 54 1HG GLN 29 1HG GLN 29 -5.599 -2.315 -7.071 55 2HG GLN 29 2HG GLN 29 -6.920 -2.809 -8.137 56 1HE2 GLN 29 1HE2 GLN 29 -4.339 -4.240 -7.353 57 2HE2 GLN 29 2HE2 GLN 29 -3.497 -4.480 -8.884 58 H GLN 30 H GLN 30 -4.707 2.442 -7.663 59 HA GLN 30 HA GLN 30 -3.928 3.398 -10.363 60 1HB GLN 30 1HB GLN 30 -6.481 3.819 -9.209 61 2HB GLN 30 2HB GLN 30 -5.621 5.340 -8.963 62 1HG GLN 30 1HG GLN 30 -5.004 5.277 -11.431 63 2HG GLN 30 2HG GLN 30 -5.970 3.798 -11.579 64 1HE2 GLN 30 1HE2 GLN 30 -6.166 7.262 -10.640 65 2HE2 GLN 30 2HE2 GLN 30 -7.854 7.440 -11.100 66 H LYS 31 H LYS 31 -3.207 3.522 -7.016 67 HA LYS 31 HA LYS 31 -1.564 5.987 -7.380 68 1HB LYS 31 1HB LYS 31 -3.646 5.263 -5.489 69 2HB LYS 31 2HB LYS 31 -2.183 5.533 -4.610 70 1HG LYS 31 1HG LYS 31 -2.052 7.803 -5.450 71 2HG LYS 31 2HG LYS 31 -3.220 7.443 -6.744 72 1HD LYS 31 1HD LYS 31 -5.005 7.090 -5.105 73 2HD LYS 31 2HD LYS 31 -3.892 7.436 -3.763 74 1HE LYS 31 1HE LYS 31 -3.672 9.727 -4.379 75 2HE LYS 31 2HE LYS 31 -4.332 9.452 -6.002 76 1HZ LYS 31 1HZ LYS 31 -5.929 10.520 -4.546 77 2HZ LYS 31 2HZ LYS 31 -6.486 9.058 -5.023 78 3HZ LYS 31 3HZ LYS 31 -5.955 9.262 -3.518 79 H CYS 32 H CYS 32 -1.354 2.572 -6.639 80 HA CYS 32 HA CYS 32 1.458 3.043 -5.710 81 1HB CYS 32 1HB CYS 32 0.087 0.495 -5.155 82 2HB CYS 32 2HB CYS 32 1.357 1.252 -4.266 83 H ILE 33 H ILE 33 -0.668 0.940 -7.694 84 HA ILE 33 HA ILE 33 1.270 -0.756 -8.727 85 HB ILE 33 HB ILE 33 -0.086 -0.911 -10.755 86 1HG1 ILE 33 1HG1 ILE 33 -2.035 1.101 -9.603 87 2HG1 ILE 33 2HG1 ILE 33 -0.827 1.540 -10.809 88 1HG2 ILE 33 1HG2 ILE 33 -1.658 -1.005 -8.153 89 2HG2 ILE 33 2HG2 ILE 33 -2.087 -1.839 -9.652 90 3HG2 ILE 33 3HG2 ILE 33 -0.593 -2.258 -8.810 91 1HD1 ILE 33 1HD1 ILE 33 -1.659 -0.204 -12.350 92 2HD1 ILE 33 2HD1 ILE 33 -2.995 -0.535 -11.227 93 3HD1 ILE 33 3HD1 ILE 33 -2.839 1.060 -11.983 94 H SER 34 H SER 34 0.716 2.631 -9.560 95 HA SER 34 HA SER 34 2.119 3.230 -11.718 96 1HB SER 34 1HB SER 34 2.599 4.679 -9.103 97 2HB SER 34 2HB SER 34 2.303 5.349 -10.722 98 HG SER 34 HG SER 34 0.386 5.481 -9.488 99 H CYS 35 H CYS 35 3.606 2.169 -8.633 100 HA CYS 35 HA CYS 35 6.222 1.934 -10.070 101 1HB CYS 35 1HB CYS 35 6.072 2.286 -7.067 102 2HB CYS 35 2HB CYS 35 7.444 2.431 -8.146 103 H HIS 36 H HIS 36 4.000 0.529 -7.622 104 HA HIS 36 HA HIS 36 5.618 -1.824 -7.253 105 1HB HIS 36 1HB HIS 36 2.848 -1.008 -6.392 106 2HB HIS 36 2HB HIS 36 3.552 -2.579 -5.976 107 HD1 HIS 36 1HD HIS 36 5.739 -2.564 -4.328 108 HD2 HIS 36 2HD HIS 36 3.681 1.090 -4.899 109 HE1 HIS 36 1HE HIS 36 6.441 -1.010 -2.451 110 H GLY 37 H GLY 37 3.533 -1.087 -9.864 111 1HA GLY 37 1HA GLY 37 4.075 -2.505 -11.705 112 2HA GLY 37 2HA GLY 37 3.761 -3.947 -10.740 113 H GLY 38 H GLY 38 1.563 -4.476 -10.251 114 1HA GLY 38 1HA GLY 38 -0.679 -3.070 -11.547 115 2HA GLY 38 2HA GLY 38 -0.170 -4.573 -12.337 116 H ASP 39 H ASP 39 0.260 -6.427 -10.647 117 HA ASP 39 HA ASP 39 -2.029 -6.690 -8.836 118 1HB ASP 39 1HB ASP 39 0.243 -8.553 -9.589 119 2HB ASP 39 2HB ASP 39 -1.121 -8.974 -8.535 120 H LEU 40 H LEU 40 0.690 -4.972 -8.447 121 HA LEU 40 HA LEU 40 2.089 -4.342 -6.810 122 1HB LEU 40 1HB LEU 40 0.149 -5.623 -4.830 123 2HB LEU 40 2HB LEU 40 1.437 -4.480 -4.495 124 HG LEU 40 HG LEU 40 -0.586 -3.320 -4.391 125 1HD1 LEU 40 1HD1 LEU 40 1.163 -1.993 -5.335 126 2HD1 LEU 40 2HD1 LEU 40 0.866 -2.609 -6.983 127 3HD1 LEU 40 3HD1 LEU 40 -0.318 -1.591 -6.214 128 1HD2 LEU 40 1HD2 LEU 40 -2.274 -3.147 -6.039 129 2HD2 LEU 40 2HD2 LEU 40 -1.344 -4.038 -7.222 130 3HD2 LEU 40 3HD2 LEU 40 -1.958 -4.869 -5.765 131 H THR 41 H THR 41 2.360 -6.852 -8.176 132 HA THR 41 HA THR 41 3.747 -8.704 -6.486 133 HB THR 41 HB THR 41 4.287 -9.470 -8.973 134 HG1 THR 41 1HG THR 41 2.672 -8.553 -10.382 135 1HG2 THR 41 1HG2 THR 41 2.677 -10.626 -7.533 136 2HG2 THR 41 2HG2 THR 41 1.467 -9.359 -7.790 137 3HG2 THR 41 3HG2 THR 41 1.956 -10.410 -9.138 138 H GLY 42 H GLY 42 4.606 -5.588 -7.731 139 1HA GLY 42 1HA GLY 42 6.484 -4.583 -6.919 140 2HA GLY 42 2HA GLY 42 7.318 -6.130 -6.719 141 H ALA 43 H ALA 43 6.601 -3.525 -8.925 142 HA ALA 43 HA ALA 43 8.295 -4.744 -11.069 143 1HB ALA 43 1HB ALA 43 6.387 -2.382 -11.128 144 2HB ALA 43 2HB ALA 43 7.391 -2.941 -12.485 145 3HB ALA 43 3HB ALA 43 6.135 -3.999 -11.815 146 H SER 44 H SER 44 7.846 -1.321 -10.092 147 HA SER 44 HA SER 44 10.780 -0.900 -10.262 148 1HB SER 44 1HB SER 44 9.170 0.607 -11.491 149 2HB SER 44 2HB SER 44 8.539 1.124 -9.912 150 HG SER 44 HG SER 44 10.799 1.635 -9.410 151 H ALA 45 H ALA 45 8.771 -2.001 -7.928 152 HA ALA 45 HA ALA 45 10.248 -0.884 -5.669 153 1HB ALA 45 1HB ALA 45 8.086 -0.351 -4.524 154 2HB ALA 45 2HB ALA 45 8.281 0.643 -5.979 155 3HB ALA 45 3HB ALA 45 7.210 -0.757 -6.009 156 HA PRO 46 HA PRO 46 9.755 -5.174 -4.688 157 1HB PRO 46 1HB PRO 46 9.305 -5.251 -1.939 158 2HB PRO 46 2HB PRO 46 10.889 -4.962 -2.713 159 1HG PRO 46 1HG PRO 46 8.943 -2.915 -1.652 160 2HG PRO 46 2HG PRO 46 10.716 -2.994 -1.421 161 1HD PRO 46 1HD PRO 46 9.585 -1.370 -3.284 162 2HD PRO 46 2HD PRO 46 11.119 -2.215 -3.626 163 H ALA 47 H ALA 47 8.242 -6.815 -3.977 164 HA ALA 47 HA ALA 47 5.574 -6.259 -4.842 165 1HB ALA 47 1HB ALA 47 5.181 -8.613 -4.340 166 2HB ALA 47 2HB ALA 47 6.800 -8.466 -5.068 167 3HB ALA 47 3HB ALA 47 6.642 -8.684 -3.329 168 H ILE 48 H ILE 48 3.999 -5.305 -3.622 169 HA ILE 48 HA ILE 48 4.172 -5.647 -0.653 170 HB ILE 48 HB ILE 48 3.021 -3.576 -0.301 171 1HG1 ILE 48 1HG1 ILE 48 3.164 -1.866 -2.239 172 2HG1 ILE 48 2HG1 ILE 48 3.199 -3.251 -3.305 173 1HG2 ILE 48 1HG2 ILE 48 5.602 -3.389 -1.887 174 2HG2 ILE 48 2HG2 ILE 48 4.954 -2.153 -0.804 175 3HG2 ILE 48 3HG2 ILE 48 5.433 -3.723 -0.153 176 1HD1 ILE 48 1HD1 ILE 48 0.915 -2.227 -2.918 177 2HD1 ILE 48 2HD1 ILE 48 0.923 -3.903 -2.335 178 3HD1 ILE 48 3HD1 ILE 48 1.065 -2.560 -1.189 179 H ASP 49 H ASP 49 2.395 -6.666 -3.366 180 HA ASP 49 HA ASP 49 -0.193 -6.960 -2.465 181 1HB ASP 49 1HB ASP 49 0.686 -7.903 -4.567 182 2HB ASP 49 2HB ASP 49 1.622 -9.101 -3.672 183 H LYS 50 H LYS 50 2.634 -8.861 -1.416 184 HA LYS 50 HA LYS 50 0.943 -10.398 0.447 185 1HB LYS 50 1HB LYS 50 2.567 -11.951 0.637 186 2HB LYS 50 2HB LYS 50 2.711 -11.451 -1.044 187 1HG LYS 50 1HG LYS 50 4.537 -10.732 1.300 188 2HG LYS 50 2HG LYS 50 4.853 -11.846 -0.015 189 1HD LYS 50 1HD LYS 50 4.586 -9.735 -1.585 190 2HD LYS 50 2HD LYS 50 4.712 -8.805 -0.084 191 1HE LYS 50 1HE LYS 50 6.941 -8.918 -0.916 192 2HE LYS 50 2HE LYS 50 6.877 -10.067 0.416 193 1HZ LYS 50 1HZ LYS 50 7.976 -10.943 -1.547 194 2HZ LYS 50 2HZ LYS 50 6.628 -11.826 -1.217 195 3HZ LYS 50 3HZ LYS 50 6.619 -10.739 -2.450 196 H ALA 51 H ALA 51 2.114 -7.373 0.701 197 HA ALA 51 HA ALA 51 3.951 -7.378 2.806 198 1HB ALA 51 1HB ALA 51 3.337 -5.046 3.143 199 2HB ALA 51 2HB ALA 51 3.434 -5.436 1.411 200 3HB ALA 51 3HB ALA 51 1.851 -5.288 2.210 201 H GLY 52 H GLY 52 0.346 -7.441 2.963 202 1HA GLY 52 1HA GLY 52 -0.026 -7.120 5.709 203 2HA GLY 52 2HA GLY 52 -1.014 -8.130 4.662 204 H ALA 53 H ALA 53 1.341 -9.954 4.026 205 HA ALA 53 HA ALA 53 1.084 -11.787 6.265 206 1HB ALA 53 1HB ALA 53 1.455 -12.528 3.860 207 2HB ALA 53 2HB ALA 53 3.096 -11.873 3.971 208 3HB ALA 53 3HB ALA 53 2.600 -13.201 5.027 209 H ASN 54 H ASN 54 3.562 -9.562 5.029 210 HA ASN 54 HA ASN 54 5.635 -10.497 6.879 211 1HB ASN 54 1HB ASN 54 5.525 -8.218 4.852 212 2HB ASN 54 2HB ASN 54 6.934 -8.613 5.835 213 1HD2 ASN 54 1HD2 ASN 54 8.437 -9.913 4.879 214 2HD2 ASN 54 2HD2 ASN 54 8.085 -11.047 3.589 215 H TYR 55 H TYR 55 3.478 -7.725 6.535 216 HA TYR 55 HA TYR 55 4.481 -6.449 9.015 217 1HB TYR 55 1HB TYR 55 3.657 -4.958 6.493 218 2HB TYR 55 2HB TYR 55 4.408 -4.285 7.930 219 HD1 TYR 55 1HD TYR 55 5.155 -4.123 4.855 220 HD2 TYR 55 2HD TYR 55 6.730 -6.198 8.289 221 HE1 TYR 55 1HE TYR 55 7.371 -4.298 3.745 222 HE2 TYR 55 2HE TYR 55 8.899 -6.457 7.140 223 HH TYR 55 HH TYR 55 10.158 -5.887 5.269 224 H SER 56 H SER 56 2.801 -4.981 9.906 225 HA SER 56 HA SER 56 0.057 -6.071 9.253 226 1HB SER 56 1HB SER 56 0.928 -6.401 11.538 227 2HB SER 56 2HB SER 56 0.907 -4.643 11.769 228 HG SER 56 HG SER 56 -1.180 -4.753 12.002 229 H GLU 57 H GLU 57 -1.763 -4.434 9.868 230 HA GLU 57 HA GLU 57 -1.681 -2.568 7.714 231 1HB GLU 57 1HB GLU 57 -3.810 -1.711 8.452 232 2HB GLU 57 2HB GLU 57 -3.851 -3.440 8.291 233 1HG GLU 57 1HG GLU 57 -4.506 -3.697 10.436 234 2HG GLU 57 2HG GLU 57 -3.189 -2.703 11.061 235 H GLU 58 H GLU 58 -1.143 -2.086 11.260 236 HA GLU 58 HA GLU 58 -0.969 0.706 11.206 237 1HB GLU 58 1HB GLU 58 0.605 0.443 13.130 238 2HB GLU 58 2HB GLU 58 -0.975 -0.319 13.308 239 1HG GLU 58 1HG GLU 58 1.336 -2.049 12.401 240 2HG GLU 58 2HG GLU 58 1.243 -1.530 14.075 241 H GLU 59 H GLU 59 1.612 -1.659 10.462 242 HA GLU 59 HA GLU 59 3.700 0.267 10.104 243 1HB GLU 59 1HB GLU 59 3.339 -2.547 8.973 244 2HB GLU 59 2HB GLU 59 4.857 -1.653 8.993 245 1HG GLU 59 1HG GLU 59 4.698 -1.542 11.518 246 2HG GLU 59 2HG GLU 59 3.264 -2.581 11.424 247 H ILE 60 H ILE 60 1.458 -1.365 7.877 248 HA ILE 60 HA ILE 60 2.655 -0.283 5.489 249 HB ILE 60 HB ILE 60 -0.096 -1.474 5.942 250 1HG1 ILE 60 1HG1 ILE 60 2.394 -2.728 4.727 251 2HG1 ILE 60 2HG1 ILE 60 1.933 -2.923 6.421 252 1HG2 ILE 60 1HG2 ILE 60 1.215 -0.337 3.512 253 2HG2 ILE 60 2HG2 ILE 60 0.451 -1.912 3.285 254 3HG2 ILE 60 3HG2 ILE 60 -0.500 -0.566 3.910 255 1HD1 ILE 60 1HD1 ILE 60 -0.271 -3.897 5.645 256 2HD1 ILE 60 2HD1 ILE 60 0.471 -4.011 4.026 257 3HD1 ILE 60 3HD1 ILE 60 1.190 -4.868 5.387 258 H LEU 61 H LEU 61 -0.169 0.630 7.455 259 HA LEU 61 HA LEU 61 -1.094 2.900 6.135 260 1HB LEU 61 1HB LEU 61 -2.130 1.800 8.086 261 2HB LEU 61 2HB LEU 61 -0.856 2.368 9.136 262 HG LEU 61 HG LEU 61 -1.529 4.687 8.822 263 1HD1 LEU 61 1HD1 LEU 61 -3.702 5.158 7.594 264 2HD1 LEU 61 2HD1 LEU 61 -2.360 4.677 6.551 265 3HD1 LEU 61 3HD1 LEU 61 -3.622 3.496 6.966 266 1HD2 LEU 61 1HD2 LEU 61 -2.602 3.354 10.598 267 2HD2 LEU 61 2HD2 LEU 61 -3.717 4.569 9.946 268 3HD2 LEU 61 3HD2 LEU 61 -3.885 2.866 9.470 269 H ASP 62 H ASP 62 1.356 2.703 8.776 270 HA ASP 62 HA ASP 62 1.942 5.484 8.695 271 1HB ASP 62 1HB ASP 62 2.991 3.200 10.125 272 2HB ASP 62 2HB ASP 62 4.346 4.087 9.436 273 H ILE 63 H ILE 63 3.359 2.724 6.893 274 HA ILE 63 HA ILE 63 5.402 4.334 5.658 275 HB ILE 63 HB ILE 63 4.193 1.619 5.129 276 1HG1 ILE 63 1HG1 ILE 63 7.029 2.680 5.529 277 2HG1 ILE 63 2HG1 ILE 63 5.989 1.961 6.770 278 1HG2 ILE 63 1HG2 ILE 63 4.283 2.406 2.859 279 2HG2 ILE 63 2HG2 ILE 63 5.937 3.045 3.089 280 3HG2 ILE 63 3HG2 ILE 63 5.609 1.305 3.134 281 1HD1 ILE 63 1HD1 ILE 63 7.260 0.580 4.384 282 2HD1 ILE 63 2HD1 ILE 63 7.526 0.273 6.099 283 3HD1 ILE 63 3HD1 ILE 63 5.971 -0.171 5.363 284 H ILE 64 H ILE 64 2.065 3.585 4.602 285 HA ILE 64 HA ILE 64 2.274 4.858 2.054 286 HB ILE 64 HB ILE 64 -0.074 4.437 3.941 287 1HG1 ILE 64 1HG1 ILE 64 0.457 2.969 1.358 288 2HG1 ILE 64 2HG1 ILE 64 1.350 2.473 2.791 289 1HG2 ILE 64 1HG2 ILE 64 -0.019 5.347 1.036 290 2HG2 ILE 64 2HG2 ILE 64 -1.468 4.718 1.850 291 3HG2 ILE 64 3HG2 ILE 64 -0.716 6.207 2.425 292 1HD1 ILE 64 1HD1 ILE 64 -0.674 1.166 2.564 293 2HD1 ILE 64 2HD1 ILE 64 -0.734 2.120 4.047 294 3HD1 ILE 64 3HD1 ILE 64 -1.684 2.630 2.652 295 H LEU 65 H LEU 65 1.292 6.096 5.255 296 HA LEU 65 HA LEU 65 0.781 8.777 4.384 297 1HB LEU 65 1HB LEU 65 1.526 7.611 7.083 298 2HB LEU 65 2HB LEU 65 0.961 9.266 6.844 299 HG LEU 65 HG LEU 65 -0.774 6.910 5.942 300 1HD1 LEU 65 1HD1 LEU 65 -1.886 7.050 8.146 301 2HD1 LEU 65 2HD1 LEU 65 -0.192 6.559 8.343 302 3HD1 LEU 65 3HD1 LEU 65 -0.676 8.224 8.704 303 1HD2 LEU 65 1HD2 LEU 65 -1.420 9.717 6.889 304 2HD2 LEU 65 2HD2 LEU 65 -1.297 9.202 5.187 305 3HD2 LEU 65 3HD2 LEU 65 -2.554 8.512 6.242 306 H ASN 66 H ASN 66 3.697 7.192 5.639 307 HA ASN 66 HA ASN 66 5.150 9.729 5.998 308 1HB ASN 66 1HB ASN 66 5.765 6.804 6.605 309 2HB ASN 66 2HB ASN 66 6.980 8.036 6.732 310 1HD2 ASN 66 1HD2 ASN 66 3.704 7.297 7.833 311 2HD2 ASN 66 2HD2 ASN 66 3.978 7.650 9.499 312 H GLY 67 H GLY 67 5.587 6.674 4.191 313 1HA GLY 67 1HA GLY 67 6.679 6.820 1.925 314 2HA GLY 67 2HA GLY 67 7.917 7.804 2.741 315 H GLN 68 H GLN 68 9.306 6.027 2.017 316 HA GLN 68 HA GLN 68 9.850 4.112 4.142 317 1HB GLN 68 1HB GLN 68 8.858 2.189 3.006 318 2HB GLN 68 2HB GLN 68 8.444 3.266 1.734 319 1HG GLN 68 1HG GLN 68 9.620 1.666 0.873 320 2HG GLN 68 2HG GLN 68 10.806 2.939 0.795 321 1HE2 GLN 68 1HE2 GLN 68 9.755 0.244 3.072 322 2HE2 GLN 68 2HE2 GLN 68 11.365 -0.332 3.333 323 H GLY 69 H GLY 69 12.209 3.235 3.484 324 1HA GLY 69 1HA GLY 69 13.894 5.437 2.775 325 2HA GLY 69 2HA GLY 69 14.350 3.743 2.978 326 H GLY 70 H GLY 70 12.693 5.883 0.704 327 1HA GLY 70 1HA GLY 70 13.923 5.910 -1.613 328 2HA GLY 70 2HA GLY 70 13.413 4.217 -1.656 329 H MET 71 H MET 71 10.896 5.454 0.026 330 HA MET 71 HA MET 71 9.308 5.941 -2.451 331 1HB MET 71 1HB MET 71 8.900 3.815 -1.244 332 2HB MET 71 2HB MET 71 8.572 4.747 0.215 333 1HG MET 71 1HG MET 71 6.645 5.810 -0.817 334 2HG MET 71 2HG MET 71 6.883 4.886 -2.301 335 1HE MET 71 1HE MET 71 4.782 5.211 0.703 336 2HE MET 71 2HE MET 71 4.092 4.870 -0.908 337 3HE MET 71 3HE MET 71 3.843 3.730 0.433 338 HA PRO 72 HA PRO 72 9.023 9.927 -0.568 339 1HB PRO 72 1HB PRO 72 7.025 11.138 -2.024 340 2HB PRO 72 2HB PRO 72 8.645 10.756 -2.677 341 1HG PRO 72 1HG PRO 72 6.115 9.125 -2.943 342 2HG PRO 72 2HG PRO 72 7.256 9.587 -4.237 343 1HD PRO 72 1HD PRO 72 7.395 7.150 -3.064 344 2HD PRO 72 2HD PRO 72 8.892 8.039 -3.474 345 H GLY 73 H GLY 73 5.900 8.226 -0.831 346 1HA GLY 73 1HA GLY 73 4.388 7.832 0.891 347 2HA GLY 73 2HA GLY 73 5.277 8.944 1.939 348 H GLY 74 H GLY 74 2.695 9.061 2.051 349 1HA GLY 74 1HA GLY 74 1.102 10.744 2.277 350 2HA GLY 74 2HA GLY 74 2.115 11.847 1.333 351 H ILE 75 H ILE 75 1.944 9.107 -0.457 352 HA ILE 75 HA ILE 75 0.454 10.027 -2.615 353 HB ILE 75 HB ILE 75 1.235 7.273 -1.597 354 1HG1 ILE 75 1HG1 ILE 75 2.510 8.543 -4.001 355 2HG1 ILE 75 2HG1 ILE 75 2.902 9.285 -2.452 356 1HG2 ILE 75 1HG2 ILE 75 -0.570 6.869 -3.172 357 2HG2 ILE 75 2HG2 ILE 75 0.163 7.980 -4.356 358 3HG2 ILE 75 3HG2 ILE 75 0.973 6.462 -3.924 359 1HD1 ILE 75 1HD1 ILE 75 3.713 7.207 -1.538 360 2HD1 ILE 75 2HD1 ILE 75 3.176 6.317 -2.974 361 3HD1 ILE 75 3HD1 ILE 75 4.499 7.480 -3.109 362 H ALA 76 H ALA 76 -0.618 8.375 0.328 363 HA ALA 76 HA ALA 76 -3.426 8.844 -0.390 364 1HB ALA 76 1HB ALA 76 -2.133 6.160 0.155 365 2HB ALA 76 2HB ALA 76 -3.768 6.446 0.744 366 3HB ALA 76 3HB ALA 76 -3.410 6.567 -0.990 367 H LYS 77 H LYS 77 -4.513 9.541 1.490 368 HA LYS 77 HA LYS 77 -3.175 9.420 4.102 369 1HB LYS 77 1HB LYS 77 -3.807 11.901 2.474 370 2HB LYS 77 2HB LYS 77 -3.871 11.972 4.229 371 1HG LYS 77 1HG LYS 77 -1.382 10.761 3.093 372 2HG LYS 77 2HG LYS 77 -1.607 12.454 2.723 373 1HD LYS 77 1HD LYS 77 -1.985 11.494 5.572 374 2HD LYS 77 2HD LYS 77 -0.343 11.658 4.918 375 1HE LYS 77 1HE LYS 77 -0.757 14.023 4.368 376 2HE LYS 77 2HE LYS 77 -2.428 13.895 4.946 377 1HZ LYS 77 1HZ LYS 77 -1.572 13.460 7.144 378 2HZ LYS 77 2HZ LYS 77 -0.016 13.528 6.608 379 3HZ LYS 77 3HZ LYS 77 -0.959 14.873 6.573 380 H GLY 78 H GLY 78 -4.655 9.805 5.843 381 1HA GLY 78 1HA GLY 78 -6.645 9.474 6.918 382 2HA GLY 78 2HA GLY 78 -7.385 10.423 5.615 383 H ALA 79 H ALA 79 -9.194 9.224 5.209 384 HA ALA 79 HA ALA 79 -9.757 6.593 5.312 385 1HB ALA 79 1HB ALA 79 -11.383 8.345 4.674 386 2HB ALA 79 2HB ALA 79 -10.637 8.457 3.061 387 3HB ALA 79 3HB ALA 79 -11.446 6.960 3.566 388 H GLU 80 H GLU 80 -8.038 8.178 2.625 389 HA GLU 80 HA GLU 80 -7.888 6.014 0.829 390 1HB GLU 80 1HB GLU 80 -6.982 8.655 0.915 391 2HB GLU 80 2HB GLU 80 -5.492 7.753 1.051 392 1HG GLU 80 1HG GLU 80 -5.560 7.788 -1.206 393 2HG GLU 80 2HG GLU 80 -6.702 6.449 -1.059 394 H ALA 81 H ALA 81 -5.469 7.016 3.344 395 HA ALA 81 HA ALA 81 -3.765 4.771 2.786 396 1HB ALA 81 1HB ALA 81 -2.432 5.599 4.575 397 2HB ALA 81 2HB ALA 81 -3.053 7.003 3.718 398 3HB ALA 81 3HB ALA 81 -3.789 6.536 5.262 399 H GLU 82 H GLU 82 -6.257 5.502 5.231 400 HA GLU 82 HA GLU 82 -5.946 3.253 6.940 401 1HB GLU 82 1HB GLU 82 -8.373 4.892 6.098 402 2HB GLU 82 2HB GLU 82 -8.422 3.681 7.377 403 1HG GLU 82 1HG GLU 82 -6.872 4.902 8.738 404 2HG GLU 82 2HG GLU 82 -6.472 6.025 7.430 405 H ALA 83 H ALA 83 -8.185 3.720 4.176 406 HA ALA 83 HA ALA 83 -9.245 1.117 4.115 407 1HB ALA 83 1HB ALA 83 -9.963 1.679 1.837 408 2HB ALA 83 2HB ALA 83 -10.202 3.053 2.917 409 3HB ALA 83 3HB ALA 83 -8.828 3.042 1.784 410 H VAL 84 H VAL 84 -6.459 2.526 2.269 411 HA VAL 84 HA VAL 84 -5.685 0.214 0.942 412 HB VAL 84 HB VAL 84 -3.906 2.387 2.106 413 1HG1 VAL 84 1HG1 VAL 84 -3.186 0.070 0.255 414 2HG1 VAL 84 2HG1 VAL 84 -2.152 1.459 0.656 415 3HG1 VAL 84 3HG1 VAL 84 -2.565 0.287 1.891 416 1HG2 VAL 84 1HG2 VAL 84 -5.138 3.275 0.227 417 2HG2 VAL 84 2HG2 VAL 84 -3.536 2.829 -0.376 418 3HG2 VAL 84 3HG2 VAL 84 -4.944 1.783 -0.676 419 H ALA 85 H ALA 85 -4.423 1.289 4.146 420 HA ALA 85 HA ALA 85 -2.689 -0.862 4.628 421 1HB ALA 85 1HB ALA 85 -2.742 1.243 5.863 422 2HB ALA 85 2HB ALA 85 -4.283 0.797 6.628 423 3HB ALA 85 3HB ALA 85 -2.823 -0.160 6.947 424 H ALA 86 H ALA 86 -6.109 -0.505 5.742 425 HA ALA 86 HA ALA 86 -6.273 -3.007 7.074 426 1HB ALA 86 1HB ALA 86 -7.941 -1.232 7.332 427 2HB ALA 86 2HB ALA 86 -8.448 -1.415 5.639 428 3HB ALA 86 3HB ALA 86 -8.720 -2.735 6.799 429 H TRP 87 H TRP 87 -7.287 -2.137 3.735 430 HA TRP 87 HA TRP 87 -8.007 -4.712 2.815 431 1HB TRP 87 1HB TRP 87 -8.598 -2.779 1.628 432 2HB TRP 87 2HB TRP 87 -6.921 -2.222 1.578 433 HD1 TRP 87 HD TRP 87 -9.062 -4.841 -0.275 434 HE1 TRP 87 1HE TRP 87 -7.737 -5.627 -2.310 435 HE3 TRP 87 3HE TRP 87 -5.129 -1.642 0.086 436 HZ2 TRP 87 2HZ TRP 87 -4.910 -5.024 -3.383 437 HZ3 TRP 87 3HZ TRP 87 -3.361 -1.668 -1.558 438 HH2 TRP 87 HH TRP 87 -3.274 -3.400 -3.292 439 H LEU 88 H LEU 88 -4.807 -3.141 2.988 440 HA LEU 88 HA LEU 88 -3.516 -5.316 1.656 441 1HB LEU 88 1HB LEU 88 -2.725 -2.686 2.498 442 2HB LEU 88 2HB LEU 88 -1.583 -3.809 3.192 443 HG LEU 88 HG LEU 88 -1.236 -2.836 0.707 444 1HD1 LEU 88 1HD1 LEU 88 -0.709 -5.456 0.044 445 2HD1 LEU 88 2HD1 LEU 88 0.381 -4.361 0.930 446 3HD1 LEU 88 3HD1 LEU 88 -0.636 -5.536 1.816 447 1HD2 LEU 88 1HD2 LEU 88 -2.976 -4.944 -0.261 448 2HD2 LEU 88 2HD2 LEU 88 -3.395 -3.309 0.232 449 3HD2 LEU 88 3HD2 LEU 88 -2.122 -3.600 -1.028 450 H ALA 89 H ALA 89 -3.924 -4.639 5.039 451 HA ALA 89 HA ALA 89 -2.492 -6.966 5.981 452 1HB ALA 89 1HB ALA 89 -3.963 -6.792 7.973 453 2HB ALA 89 2HB ALA 89 -3.096 -5.313 7.540 454 3HB ALA 89 3HB ALA 89 -4.839 -5.466 7.174 455 H GLU 90 H GLU 90 -5.655 -6.510 4.458 456 HA GLU 90 HA GLU 90 -6.390 -9.324 4.821 457 1HB GLU 90 1HB GLU 90 -7.900 -7.261 4.917 458 2HB GLU 90 2HB GLU 90 -7.796 -7.225 3.153 459 1HG GLU 90 1HG GLU 90 -8.705 -9.543 3.050 460 2HG GLU 90 2HG GLU 90 -8.775 -9.589 4.820 461 H LYS 91 H LYS 91 -4.418 -7.646 2.576 462 HA LYS 91 HA LYS 91 -5.162 -9.155 0.191 463 1HB LYS 91 1HB LYS 91 -4.526 -6.772 0.238 464 2HB LYS 91 2HB LYS 91 -2.908 -7.216 0.785 465 1HG LYS 91 1HG LYS 91 -3.115 -6.504 -1.604 466 2HG LYS 91 2HG LYS 91 -2.286 -7.995 -1.349 467 1HD LYS 91 1HD LYS 91 -5.229 -7.970 -2.102 468 2HD LYS 91 2HD LYS 91 -3.941 -7.657 -3.283 469 1HE LYS 91 1HE LYS 91 -2.840 -9.848 -2.186 470 2HE LYS 91 2HE LYS 91 -4.520 -10.249 -1.836 471 1HZ LYS 91 1HZ LYS 91 -3.070 -9.649 -4.315 472 2HZ LYS 91 2HZ LYS 91 -3.749 -11.088 -3.938 473 3HZ LYS 91 3HZ LYS 91 -4.731 -9.811 -4.367 474 H LYS 92 H LYS 92 -3.536 -10.050 2.896 475 HA LYS 92 HA LYS 92 -1.182 -11.375 1.666 476 1HB LYS 92 1HB LYS 92 -0.526 -11.644 3.848 477 2HB LYS 92 2HB LYS 92 -1.070 -10.001 3.444 478 1HG LYS 92 1HG LYS 92 -2.128 -10.129 5.460 479 2HG LYS 92 2HG LYS 92 -3.400 -10.957 4.584 480 1HD LYS 92 1HD LYS 92 -1.277 -12.762 5.635 481 2HD LYS 92 2HD LYS 92 -2.070 -11.761 6.846 482 1HE LYS 92 1HE LYS 92 -3.260 -13.788 6.828 483 2HE LYS 92 2HE LYS 92 -4.319 -12.587 6.078 484 1HZ LYS 92 1HZ LYS 92 -4.010 -13.558 4.004 485 2HZ LYS 92 2HZ LYS 92 -2.637 -14.242 4.330 486 3HZ LYS 92 3HZ LYS 92 -4.039 -14.895 4.964 487 HHA HEC 93 HHA HEC 93 8.686 -0.122 0.101 488 HHB HEC 93 HHB HEC 93 2.249 0.146 0.676 489 HHC HEC 93 HHC HEC 93 2.198 4.398 -4.137 490 HHD HEC 93 HHD HEC 93 8.427 3.403 -5.167 491 1HMA HEC 93 1HMA HEC 93 4.706 -1.860 3.040 492 2HMA HEC 93 2HMA HEC 93 3.540 -0.529 3.008 493 3HMA HEC 93 3HMA HEC 93 3.354 -1.912 1.901 494 1HAA HEC 93 1HAA HEC 93 6.937 -1.618 2.997 495 2HAA HEC 93 2HAA HEC 93 8.016 -0.428 2.359 496 1HBA HEC 93 1HBA HEC 93 7.897 -2.065 0.281 497 2HBA HEC 93 2HBA HEC 93 7.565 -3.271 1.529 498 1HMB HEC 93 1HMB HEC 93 0.210 -0.090 -1.059 499 2HMB HEC 93 2HMB HEC 93 0.082 0.919 0.388 500 3HMB HEC 93 3HMB HEC 93 -0.857 1.302 -1.065 501 HAB HEC 93 HAB HEC 93 0.247 4.159 -3.487 502 1HBB HEC 93 1HBB HEC 93 -1.191 3.449 -0.913 503 2HBB HEC 93 2HBB HEC 93 -0.426 4.980 -1.344 504 3HBB HEC 93 3HBB HEC 93 -1.845 4.416 -2.246 505 1HMC HEC 93 1HMC HEC 93 2.897 4.686 -6.613 506 2HMC HEC 93 2HMC HEC 93 3.042 6.136 -5.597 507 3HMC HEC 93 3HMC HEC 93 4.077 5.926 -7.014 508 HAC HEC 93 HAC HEC 93 7.761 4.656 -6.681 509 1HBC HEC 93 1HBC HEC 93 7.485 6.867 -7.555 510 2HBC HEC 93 2HBC HEC 93 5.906 7.047 -6.774 511 3HBC HEC 93 3HBC HEC 93 7.363 6.868 -5.786 512 1HMD HEC 93 1HMD HEC 93 10.068 2.013 -5.357 513 2HMD HEC 93 2HMD HEC 93 11.224 2.697 -4.184 514 3HMD HEC 93 3HMD HEC 93 11.092 0.938 -4.434 515 1HAD HEC 93 1HAD HEC 93 10.863 -0.562 -1.561 516 2HAD HEC 93 2HAD HEC 93 10.715 0.544 -0.358 517 1HBD HEC 93 1HBD HEC 93 12.733 1.276 -0.732 518 2HBD HEC 93 2HBD HEC 93 11.900 2.336 -1.845 Start of MODEL 19 1 1H VAL 22 1H VAL 22 -14.695 4.197 -0.445 2 2H VAL 22 2H VAL 22 -13.834 4.300 0.957 3 3H VAL 22 3H VAL 22 -14.455 5.678 0.259 4 HA VAL 22 HA VAL 22 -13.055 5.314 -1.659 5 HB VAL 22 HB VAL 22 -11.589 5.481 1.011 6 1HG1 VAL 22 1HG1 VAL 22 -9.949 4.812 -0.630 7 2HG1 VAL 22 2HG1 VAL 22 -10.621 5.920 -1.851 8 3HG1 VAL 22 3HG1 VAL 22 -9.794 6.560 -0.423 9 1HG2 VAL 22 1HG2 VAL 22 -13.197 7.341 0.587 10 2HG2 VAL 22 2HG2 VAL 22 -11.524 7.897 0.477 11 3HG2 VAL 22 3HG2 VAL 22 -12.454 7.610 -1.006 12 H ASP 23 H ASP 23 -12.980 3.494 -2.783 13 HA ASP 23 HA ASP 23 -12.730 0.958 -1.716 14 1HB ASP 23 1HB ASP 23 -12.460 1.914 -4.589 15 2HB ASP 23 2HB ASP 23 -12.919 0.291 -4.053 16 H ALA 24 H ALA 24 -10.919 0.372 -0.738 17 HA ALA 24 HA ALA 24 -8.453 1.427 -0.861 18 1HB ALA 24 1HB ALA 24 -9.201 -0.167 0.848 19 2HB ALA 24 2HB ALA 24 -9.147 -1.474 -0.353 20 3HB ALA 24 3HB ALA 24 -7.643 -0.646 0.138 21 H GLU 25 H GLU 25 -9.404 -1.528 -2.734 22 HA GLU 25 HA GLU 25 -6.859 -1.742 -3.972 23 1HB GLU 25 1HB GLU 25 -7.666 -3.435 -5.242 24 2HB GLU 25 2HB GLU 25 -8.809 -3.474 -3.899 25 1HG GLU 25 1HG GLU 25 -10.404 -2.154 -5.304 26 2HG GLU 25 2HG GLU 25 -9.224 -2.225 -6.666 27 H ALA 26 H ALA 26 -9.777 0.192 -4.852 28 HA ALA 26 HA ALA 26 -8.926 0.830 -7.488 29 1HB ALA 26 1HB ALA 26 -10.640 2.589 -5.714 30 2HB ALA 26 2HB ALA 26 -10.575 2.548 -7.479 31 3HB ALA 26 3HB ALA 26 -11.246 1.160 -6.599 32 H VAL 27 H VAL 27 -8.412 2.482 -4.359 33 HA VAL 27 HA VAL 27 -6.611 4.631 -5.225 34 HB VAL 27 HB VAL 27 -6.485 2.912 -2.701 35 1HG1 VAL 27 1HG1 VAL 27 -5.340 5.654 -3.304 36 2HG1 VAL 27 2HG1 VAL 27 -5.269 4.802 -1.749 37 3HG1 VAL 27 3HG1 VAL 27 -4.398 4.153 -3.136 38 1HG2 VAL 27 1HG2 VAL 27 -7.885 5.573 -3.175 39 2HG2 VAL 27 2HG2 VAL 27 -8.688 4.020 -2.858 40 3HG2 VAL 27 3HG2 VAL 27 -7.680 4.759 -1.609 41 H VAL 28 H VAL 28 -5.721 1.213 -4.200 42 HA VAL 28 HA VAL 28 -3.096 1.963 -4.863 43 HB VAL 28 HB VAL 28 -4.389 -0.739 -4.397 44 1HG1 VAL 28 1HG1 VAL 28 -1.468 -0.336 -3.835 45 2HG1 VAL 28 2HG1 VAL 28 -2.357 -1.769 -4.196 46 3HG1 VAL 28 3HG1 VAL 28 -1.994 -0.695 -5.512 47 1HG2 VAL 28 1HG2 VAL 28 -4.593 0.104 -2.298 48 2HG2 VAL 28 2HG2 VAL 28 -2.821 0.131 -2.168 49 3HG2 VAL 28 3HG2 VAL 28 -3.675 1.559 -2.691 50 H GLN 29 H GLN 29 -5.422 0.254 -6.707 51 HA GLN 29 HA GLN 29 -3.973 -0.363 -9.062 52 1HB GLN 29 1HB GLN 29 -6.932 0.010 -8.405 53 2HB GLN 29 2HB GLN 29 -6.407 -0.568 -9.960 54 1HG GLN 29 1HG GLN 29 -5.845 -1.961 -7.322 55 2HG GLN 29 2HG GLN 29 -7.033 -2.434 -8.540 56 1HE2 GLN 29 1HE2 GLN 29 -4.540 -3.807 -7.385 57 2HE2 GLN 29 2HE2 GLN 29 -3.545 -4.152 -8.793 58 H GLN 30 H GLN 30 -4.739 2.730 -7.854 59 HA GLN 30 HA GLN 30 -3.825 3.759 -10.490 60 1HB GLN 30 1HB GLN 30 -6.378 4.228 -9.323 61 2HB GLN 30 2HB GLN 30 -5.465 5.705 -9.036 62 1HG GLN 30 1HG GLN 30 -4.886 5.799 -11.469 63 2HG GLN 30 2HG GLN 30 -5.722 4.258 -11.725 64 1HE2 GLN 30 1HE2 GLN 30 -6.432 7.492 -10.249 65 2HE2 GLN 30 2HE2 GLN 30 -8.035 7.597 -10.964 66 H LYS 31 H LYS 31 -3.171 3.657 -7.144 67 HA LYS 31 HA LYS 31 -1.515 6.140 -7.250 68 1HB LYS 31 1HB LYS 31 -3.161 4.785 -5.075 69 2HB LYS 31 2HB LYS 31 -1.923 5.868 -4.672 70 1HG LYS 31 1HG LYS 31 -3.263 7.346 -6.618 71 2HG LYS 31 2HG LYS 31 -4.562 6.491 -5.771 72 1HD LYS 31 1HD LYS 31 -3.749 7.347 -3.605 73 2HD LYS 31 2HD LYS 31 -2.310 8.037 -4.382 74 1HE LYS 31 1HE LYS 31 -3.629 9.665 -5.592 75 2HE LYS 31 2HE LYS 31 -5.142 8.963 -4.970 76 1HZ LYS 31 1HZ LYS 31 -4.606 9.587 -2.830 77 2HZ LYS 31 2HZ LYS 31 -3.065 10.022 -3.163 78 3HZ LYS 31 3HZ LYS 31 -4.341 10.935 -3.719 79 H CYS 32 H CYS 32 -1.318 2.666 -6.737 80 HA CYS 32 HA CYS 32 1.461 3.037 -5.668 81 1HB CYS 32 1HB CYS 32 -0.243 0.675 -5.198 82 2HB CYS 32 2HB CYS 32 1.129 1.176 -4.242 83 H ILE 33 H ILE 33 -0.676 0.966 -7.681 84 HA ILE 33 HA ILE 33 1.240 -0.847 -8.571 85 HB ILE 33 HB ILE 33 -0.065 -1.104 -10.595 86 1HG1 ILE 33 1HG1 ILE 33 -1.920 1.132 -9.700 87 2HG1 ILE 33 2HG1 ILE 33 -0.652 1.373 -10.901 88 1HG2 ILE 33 1HG2 ILE 33 -1.821 -0.860 -8.121 89 2HG2 ILE 33 2HG2 ILE 33 -2.123 -1.873 -9.542 90 3HG2 ILE 33 3HG2 ILE 33 -0.740 -2.196 -8.496 91 1HD1 ILE 33 1HD1 ILE 33 -2.955 -0.568 -11.209 92 2HD1 ILE 33 2HD1 ILE 33 -2.664 0.944 -12.086 93 3HD1 ILE 33 3HD1 ILE 33 -1.572 -0.427 -12.313 94 H SER 34 H SER 34 0.838 2.528 -9.475 95 HA SER 34 HA SER 34 2.300 3.069 -11.610 96 1HB SER 34 1HB SER 34 2.796 4.481 -8.977 97 2HB SER 34 2HB SER 34 2.566 5.174 -10.596 98 HG SER 34 HG SER 34 0.643 5.384 -9.363 99 H CYS 35 H CYS 35 3.688 2.001 -8.470 100 HA CYS 35 HA CYS 35 6.323 1.669 -9.850 101 1HB CYS 35 1HB CYS 35 6.175 2.118 -6.863 102 2HB CYS 35 2HB CYS 35 7.531 2.248 -7.959 103 H HIS 36 H HIS 36 4.012 0.363 -7.427 104 HA HIS 36 HA HIS 36 5.627 -2.014 -6.998 105 1HB HIS 36 1HB HIS 36 2.868 -1.148 -6.148 106 2HB HIS 36 2HB HIS 36 3.586 -2.711 -5.701 107 HD1 HIS 36 1HD HIS 36 5.788 -2.648 -4.093 108 HD2 HIS 36 2HD HIS 36 3.664 0.965 -4.687 109 HE1 HIS 36 1HE HIS 36 6.475 -1.054 -2.228 110 H GLY 37 H GLY 37 3.520 -1.242 -9.603 111 1HA GLY 37 1HA GLY 37 3.103 -2.562 -11.417 112 2HA GLY 37 2HA GLY 37 3.786 -3.976 -10.602 113 H GLY 38 H GLY 38 1.462 -4.043 -12.153 114 1HA GLY 38 1HA GLY 38 -0.972 -3.455 -11.460 115 2HA GLY 38 2HA GLY 38 -0.622 -5.047 -12.131 116 H ASP 39 H ASP 39 0.216 -6.656 -10.201 117 HA ASP 39 HA ASP 39 -2.056 -6.657 -8.314 118 1HB ASP 39 1HB ASP 39 -1.285 -8.606 -9.901 119 2HB ASP 39 2HB ASP 39 -0.200 -8.993 -8.565 120 H LEU 40 H LEU 40 0.782 -5.215 -8.148 121 HA LEU 40 HA LEU 40 2.126 -4.450 -6.586 122 1HB LEU 40 1HB LEU 40 0.358 -5.822 -4.511 123 2HB LEU 40 2HB LEU 40 1.644 -4.679 -4.215 124 HG LEU 40 HG LEU 40 -0.472 -3.593 -4.026 125 1HD1 LEU 40 1HD1 LEU 40 0.953 -2.617 -6.540 126 2HD1 LEU 40 2HD1 LEU 40 -0.042 -1.660 -5.458 127 3HD1 LEU 40 3HD1 LEU 40 1.465 -2.329 -4.854 128 1HD2 LEU 40 1HD2 LEU 40 -1.797 -4.981 -5.626 129 2HD2 LEU 40 2HD2 LEU 40 -2.058 -3.241 -5.774 130 3HD2 LEU 40 3HD2 LEU 40 -1.060 -4.046 -6.959 131 H THR 41 H THR 41 2.571 -6.904 -7.987 132 HA THR 41 HA THR 41 4.089 -8.735 -6.394 133 HB THR 41 HB THR 41 4.759 -9.323 -8.895 134 HG1 THR 41 1HG THR 41 4.108 -7.412 -9.864 135 1HG2 THR 41 1HG2 THR 41 3.177 -10.669 -7.644 136 2HG2 THR 41 2HG2 THR 41 1.911 -9.442 -7.813 137 3HG2 THR 41 3HG2 THR 41 2.479 -10.335 -9.242 138 H GLY 42 H GLY 42 4.792 -5.547 -7.547 139 1HA GLY 42 1HA GLY 42 6.619 -4.403 -6.826 140 2HA GLY 42 2HA GLY 42 7.561 -5.887 -6.616 141 H ALA 43 H ALA 43 6.862 -3.266 -8.768 142 HA ALA 43 HA ALA 43 8.468 -4.532 -10.964 143 1HB ALA 43 1HB ALA 43 7.562 -2.728 -12.378 144 2HB ALA 43 2HB ALA 43 6.309 -3.795 -11.715 145 3HB ALA 43 3HB ALA 43 6.540 -2.180 -11.032 146 H SER 44 H SER 44 8.013 -1.158 -9.890 147 HA SER 44 HA SER 44 10.958 -0.697 -9.965 148 1HB SER 44 1HB SER 44 8.648 1.273 -9.837 149 2HB SER 44 2HB SER 44 10.364 1.668 -10.018 150 HG SER 44 HG SER 44 8.913 0.014 -11.822 151 H ALA 45 H ALA 45 8.825 -1.807 -7.768 152 HA ALA 45 HA ALA 45 10.137 -0.664 -5.397 153 1HB ALA 45 1HB ALA 45 7.915 -0.212 -4.405 154 2HB ALA 45 2HB ALA 45 8.122 0.756 -5.870 155 3HB ALA 45 3HB ALA 45 7.125 -0.700 -5.914 156 HA PRO 46 HA PRO 46 9.925 -4.967 -4.529 157 1HB PRO 46 1HB PRO 46 9.373 -5.215 -1.834 158 2HB PRO 46 2HB PRO 46 10.928 -4.604 -2.473 159 1HG PRO 46 1HG PRO 46 8.530 -2.978 -1.589 160 2HG PRO 46 2HG PRO 46 10.229 -2.793 -1.056 161 1HD PRO 46 1HD PRO 46 9.220 -1.244 -3.022 162 2HD PRO 46 2HD PRO 46 10.861 -1.920 -3.224 163 H ALA 47 H ALA 47 8.545 -6.779 -3.845 164 HA ALA 47 HA ALA 47 5.826 -6.513 -4.683 165 1HB ALA 47 1HB ALA 47 7.216 -8.627 -4.824 166 2HB ALA 47 2HB ALA 47 7.123 -8.757 -3.063 167 3HB ALA 47 3HB ALA 47 5.644 -8.854 -4.038 168 H ILE 48 H ILE 48 4.232 -5.600 -3.483 169 HA ILE 48 HA ILE 48 4.384 -5.905 -0.518 170 HB ILE 48 HB ILE 48 3.285 -3.822 -0.113 171 1HG1 ILE 48 1HG1 ILE 48 3.347 -2.055 -1.994 172 2HG1 ILE 48 2HG1 ILE 48 3.357 -3.414 -3.099 173 1HG2 ILE 48 1HG2 ILE 48 5.794 -3.501 -1.782 174 2HG2 ILE 48 2HG2 ILE 48 5.178 -2.378 -0.560 175 3HG2 ILE 48 3HG2 ILE 48 5.718 -3.993 -0.080 176 1HD1 ILE 48 1HD1 ILE 48 1.109 -4.087 -2.075 177 2HD1 ILE 48 2HD1 ILE 48 1.305 -2.790 -0.884 178 3HD1 ILE 48 3HD1 ILE 48 1.081 -2.391 -2.585 179 H ASP 49 H ASP 49 2.842 -7.046 -3.201 180 HA ASP 49 HA ASP 49 0.162 -7.254 -2.490 181 1HB ASP 49 1HB ASP 49 0.241 -9.417 -3.628 182 2HB ASP 49 2HB ASP 49 1.215 -8.242 -4.539 183 H LYS 50 H LYS 50 2.932 -9.044 -1.251 184 HA LYS 50 HA LYS 50 1.287 -10.494 0.738 185 1HB LYS 50 1HB LYS 50 4.239 -10.676 0.023 186 2HB LYS 50 2HB LYS 50 3.451 -11.704 1.227 187 1HG LYS 50 1HG LYS 50 2.591 -11.552 -1.674 188 2HG LYS 50 2HG LYS 50 3.746 -12.728 -1.087 189 1HD LYS 50 1HD LYS 50 2.150 -13.931 0.123 190 2HD LYS 50 2HD LYS 50 1.064 -12.558 0.304 191 1HE LYS 50 1HE LYS 50 0.523 -12.588 -2.104 192 2HE LYS 50 2HE LYS 50 1.562 -14.005 -2.334 193 1HZ LYS 50 1HZ LYS 50 -0.771 -13.878 -0.529 194 2HZ LYS 50 2HZ LYS 50 -0.821 -14.531 -2.036 195 3HZ LYS 50 3HZ LYS 50 0.095 -15.213 -0.840 196 H ALA 51 H ALA 51 2.328 -7.433 0.759 197 HA ALA 51 HA ALA 51 3.896 -7.256 3.095 198 1HB ALA 51 1HB ALA 51 1.941 -5.221 2.034 199 2HB ALA 51 2HB ALA 51 3.294 -4.925 3.142 200 3HB ALA 51 3HB ALA 51 3.614 -5.473 1.479 201 H GLY 52 H GLY 52 0.262 -7.628 2.764 202 1HA GLY 52 1HA GLY 52 -0.244 -7.187 5.522 203 2HA GLY 52 2HA GLY 52 -1.175 -8.211 4.420 204 H ALA 53 H ALA 53 1.171 -10.008 3.834 205 HA ALA 53 HA ALA 53 1.021 -11.728 6.237 206 1HB ALA 53 1HB ALA 53 2.671 -12.071 3.699 207 2HB ALA 53 2HB ALA 53 2.448 -13.250 4.997 208 3HB ALA 53 3HB ALA 53 1.067 -12.778 4.000 209 H ASN 54 H ASN 54 3.433 -9.705 4.595 210 HA ASN 54 HA ASN 54 5.578 -10.500 6.342 211 1HB ASN 54 1HB ASN 54 5.397 -7.996 4.631 212 2HB ASN 54 2HB ASN 54 6.865 -8.732 5.274 213 1HD2 ASN 54 1HD2 ASN 54 6.246 -8.176 2.445 214 2HD2 ASN 54 2HD2 ASN 54 6.282 -9.737 1.647 215 H TYR 55 H TYR 55 3.276 -7.830 6.409 216 HA TYR 55 HA TYR 55 4.323 -6.731 8.975 217 1HB TYR 55 1HB TYR 55 3.473 -5.068 6.589 218 2HB TYR 55 2HB TYR 55 4.150 -4.497 8.113 219 HD1 TYR 55 1HD TYR 55 4.965 -4.100 5.046 220 HD2 TYR 55 2HD TYR 55 6.568 -6.235 8.432 221 HE1 TYR 55 1HE TYR 55 7.230 -3.944 4.079 222 HE2 TYR 55 2HE TYR 55 8.821 -6.142 7.418 223 HH TYR 55 HH TYR 55 9.453 -4.531 4.282 224 H SER 56 H SER 56 2.547 -5.017 9.688 225 HA SER 56 HA SER 56 -0.156 -6.224 9.202 226 1HB SER 56 1HB SER 56 0.856 -4.764 11.653 227 2HB SER 56 2HB SER 56 -0.718 -5.563 11.442 228 HG SER 56 HG SER 56 0.759 -6.892 12.548 229 H GLU 57 H GLU 57 -1.962 -4.641 9.603 230 HA GLU 57 HA GLU 57 -1.877 -2.629 7.698 231 1HB GLU 57 1HB GLU 57 -3.973 -1.787 8.853 232 2HB GLU 57 2HB GLU 57 -4.004 -3.426 8.221 233 1HG GLU 57 1HG GLU 57 -3.258 -3.070 11.129 234 2HG GLU 57 2HG GLU 57 -4.931 -2.828 10.631 235 H GLU 58 H GLU 58 -1.149 -2.271 11.237 236 HA GLU 58 HA GLU 58 -1.027 0.551 11.195 237 1HB GLU 58 1HB GLU 58 0.435 0.349 13.164 238 2HB GLU 58 2HB GLU 58 -1.102 -0.501 13.294 239 1HG GLU 58 1HG GLU 58 1.400 -2.062 12.554 240 2HG GLU 58 2HG GLU 58 1.095 -1.563 14.204 241 H GLU 59 H GLU 59 1.604 -1.792 10.592 242 HA GLU 59 HA GLU 59 3.725 0.046 10.159 243 1HB GLU 59 1HB GLU 59 3.119 -2.708 9.000 244 2HB GLU 59 2HB GLU 59 4.672 -1.909 8.795 245 1HG GLU 59 1HG GLU 59 3.510 -2.531 11.548 246 2HG GLU 59 2HG GLU 59 4.566 -3.623 10.646 247 H ILE 60 H ILE 60 1.393 -1.457 7.951 248 HA ILE 60 HA ILE 60 2.516 -0.373 5.541 249 HB ILE 60 HB ILE 60 -0.207 -1.534 6.174 250 1HG1 ILE 60 1HG1 ILE 60 2.119 -2.799 4.664 251 2HG1 ILE 60 2HG1 ILE 60 1.889 -2.992 6.402 252 1HG2 ILE 60 1HG2 ILE 60 -0.288 -1.882 3.607 253 2HG2 ILE 60 2HG2 ILE 60 -0.611 -0.276 4.251 254 3HG2 ILE 60 3HG2 ILE 60 0.970 -0.638 3.532 255 1HD1 ILE 60 1HD1 ILE 60 0.944 -4.910 5.459 256 2HD1 ILE 60 2HD1 ILE 60 -0.432 -3.906 5.936 257 3HD1 ILE 60 3HD1 ILE 60 0.052 -4.011 4.225 258 H LEU 61 H LEU 61 -0.284 0.565 7.542 259 HA LEU 61 HA LEU 61 -1.218 2.820 6.204 260 1HB LEU 61 1HB LEU 61 -2.257 1.771 8.153 261 2HB LEU 61 2HB LEU 61 -0.958 2.286 9.203 262 HG LEU 61 HG LEU 61 -1.558 4.612 8.992 263 1HD1 LEU 61 1HD1 LEU 61 -2.265 4.814 6.702 264 2HD1 LEU 61 2HD1 LEU 61 -3.557 3.618 6.937 265 3HD1 LEU 61 3HD1 LEU 61 -3.671 5.224 7.690 266 1HD2 LEU 61 1HD2 LEU 61 -3.786 4.557 10.018 267 2HD2 LEU 61 2HD2 LEU 61 -4.044 2.904 9.421 268 3HD2 LEU 61 3HD2 LEU 61 -2.786 3.228 10.634 269 H ASP 62 H ASP 62 1.276 2.630 8.809 270 HA ASP 62 HA ASP 62 1.766 5.447 8.739 271 1HB ASP 62 1HB ASP 62 2.439 3.959 10.622 272 2HB ASP 62 2HB ASP 62 3.732 3.298 9.607 273 H ILE 63 H ILE 63 3.252 2.694 7.022 274 HA ILE 63 HA ILE 63 5.355 4.249 5.808 275 HB ILE 63 HB ILE 63 4.112 1.540 5.371 276 1HG1 ILE 63 1HG1 ILE 63 6.972 2.529 5.784 277 2HG1 ILE 63 2HG1 ILE 63 5.869 1.994 7.061 278 1HG2 ILE 63 1HG2 ILE 63 4.299 2.194 3.077 279 2HG2 ILE 63 2HG2 ILE 63 5.947 2.841 3.329 280 3HG2 ILE 63 3HG2 ILE 63 5.615 1.104 3.457 281 1HD1 ILE 63 1HD1 ILE 63 5.756 -0.266 5.893 282 2HD1 ILE 63 2HD1 ILE 63 7.105 0.294 4.869 283 3HD1 ILE 63 3HD1 ILE 63 7.319 0.170 6.615 284 H ILE 64 H ILE 64 2.024 3.515 4.707 285 HA ILE 64 HA ILE 64 2.253 4.818 2.167 286 HB ILE 64 HB ILE 64 -0.102 4.405 4.042 287 1HG1 ILE 64 1HG1 ILE 64 0.454 2.989 1.426 288 2HG1 ILE 64 2HG1 ILE 64 1.264 2.439 2.895 289 1HG2 ILE 64 1HG2 ILE 64 -1.504 4.807 1.974 290 2HG2 ILE 64 2HG2 ILE 64 -0.704 6.251 2.589 291 3HG2 ILE 64 3HG2 ILE 64 -0.044 5.415 1.170 292 1HD1 ILE 64 1HD1 ILE 64 -0.776 1.186 2.563 293 2HD1 ILE 64 2HD1 ILE 64 -0.885 2.143 4.045 294 3HD1 ILE 64 3HD1 ILE 64 -1.749 2.675 2.599 295 H LEU 65 H LEU 65 1.223 6.023 5.378 296 HA LEU 65 HA LEU 65 0.755 8.706 4.512 297 1HB LEU 65 1HB LEU 65 1.362 7.502 7.225 298 2HB LEU 65 2HB LEU 65 0.881 9.182 6.998 299 HG LEU 65 HG LEU 65 -0.909 6.888 6.038 300 1HD1 LEU 65 1HD1 LEU 65 -0.452 6.636 8.477 301 2HD1 LEU 65 2HD1 LEU 65 -0.902 8.332 8.733 302 3HD1 LEU 65 3HD1 LEU 65 -2.118 7.165 8.175 303 1HD2 LEU 65 1HD2 LEU 65 -1.372 9.105 5.114 304 2HD2 LEU 65 2HD2 LEU 65 -2.644 8.590 6.239 305 3HD2 LEU 65 3HD2 LEU 65 -1.445 9.796 6.753 306 H ASN 66 H ASN 66 3.691 7.073 5.554 307 HA ASN 66 HA ASN 66 5.173 9.617 5.923 308 1HB ASN 66 1HB ASN 66 5.684 6.734 6.749 309 2HB ASN 66 2HB ASN 66 6.910 7.962 6.847 310 1HD2 ASN 66 1HD2 ASN 66 3.603 7.293 7.853 311 2HD2 ASN 66 2HD2 ASN 66 3.829 7.749 9.499 312 H GLY 67 H GLY 67 5.738 6.415 4.339 313 1HA GLY 67 1HA GLY 67 6.682 6.631 1.986 314 2HA GLY 67 2HA GLY 67 7.977 7.567 2.758 315 H GLN 68 H GLN 68 9.134 5.703 1.692 316 HA GLN 68 HA GLN 68 10.250 4.064 3.702 317 1HB GLN 68 1HB GLN 68 8.434 2.288 3.058 318 2HB GLN 68 2HB GLN 68 8.823 2.645 1.393 319 1HG GLN 68 1HG GLN 68 9.773 0.600 2.092 320 2HG GLN 68 2HG GLN 68 11.107 1.692 1.734 321 1HE2 GLN 68 1HE2 GLN 68 10.737 -0.840 3.378 322 2HE2 GLN 68 2HE2 GLN 68 11.507 -0.403 4.904 323 H GLY 69 H GLY 69 12.453 4.237 3.048 324 1HA GLY 69 1HA GLY 69 14.249 4.752 1.682 325 2HA GLY 69 2HA GLY 69 13.566 3.476 0.671 326 H GLY 70 H GLY 70 13.080 4.078 -1.457 327 1HA GLY 70 1HA GLY 70 13.346 6.868 -2.256 328 2HA GLY 70 2HA GLY 70 13.068 5.450 -3.270 329 H MET 71 H MET 71 10.651 5.028 -1.167 330 HA MET 71 HA MET 71 8.625 5.893 -2.974 331 1HB MET 71 1HB MET 71 8.547 3.955 -1.395 332 2HB MET 71 2HB MET 71 8.451 5.065 -0.060 333 1HG MET 71 1HG MET 71 6.348 5.862 -0.594 334 2HG MET 71 2HG MET 71 6.296 5.063 -2.165 335 1HE MET 71 1HE MET 71 3.865 3.409 0.817 336 2HE MET 71 2HE MET 71 4.619 5.005 1.005 337 3HE MET 71 3HE MET 71 3.807 4.573 -0.522 338 HA PRO 72 HA PRO 72 8.710 10.118 -1.485 339 1HB PRO 72 1HB PRO 72 6.351 11.112 -2.550 340 2HB PRO 72 2HB PRO 72 7.845 10.821 -3.486 341 1HG PRO 72 1HG PRO 72 5.450 9.004 -3.218 342 2HG PRO 72 2HG PRO 72 6.316 9.457 -4.710 343 1HD PRO 72 1HD PRO 72 6.833 7.111 -3.486 344 2HD PRO 72 2HD PRO 72 8.188 8.086 -4.147 345 H GLY 73 H GLY 73 5.709 8.269 -1.033 346 1HA GLY 73 1HA GLY 73 4.587 7.862 0.956 347 2HA GLY 73 2HA GLY 73 5.689 8.959 1.796 348 H GLY 74 H GLY 74 2.976 8.906 2.294 349 1HA GLY 74 1HA GLY 74 1.195 10.322 2.615 350 2HA GLY 74 2HA GLY 74 2.163 11.670 1.985 351 H ILE 75 H ILE 75 1.834 8.779 0.098 352 HA ILE 75 HA ILE 75 0.802 10.083 -2.215 353 HB ILE 75 HB ILE 75 1.134 7.198 -1.336 354 1HG1 ILE 75 1HG1 ILE 75 2.714 8.398 -3.582 355 2HG1 ILE 75 2HG1 ILE 75 3.090 9.024 -1.976 356 1HG2 ILE 75 1HG2 ILE 75 0.936 6.593 -3.772 357 2HG2 ILE 75 2HG2 ILE 75 -0.579 7.072 -3.007 358 3HG2 ILE 75 3HG2 ILE 75 0.279 8.213 -4.071 359 1HD1 ILE 75 1HD1 ILE 75 3.624 6.872 -1.113 360 2HD1 ILE 75 2HD1 ILE 75 2.940 6.058 -2.528 361 3HD1 ILE 75 3HD1 ILE 75 4.444 6.979 -2.686 362 H ALA 76 H ALA 76 -0.693 8.343 0.481 363 HA ALA 76 HA ALA 76 -3.334 9.193 -0.423 364 1HB ALA 76 1HB ALA 76 -3.356 6.853 -1.096 365 2HB ALA 76 2HB ALA 76 -2.504 6.360 0.382 366 3HB ALA 76 3HB ALA 76 -4.176 6.911 0.484 367 H LYS 77 H LYS 77 -4.672 9.717 1.461 368 HA LYS 77 HA LYS 77 -3.347 9.418 4.106 369 1HB LYS 77 1HB LYS 77 -4.069 12.034 2.741 370 2HB LYS 77 2HB LYS 77 -3.978 11.882 4.483 371 1HG LYS 77 1HG LYS 77 -1.570 10.724 3.413 372 2HG LYS 77 2HG LYS 77 -1.815 12.253 2.591 373 1HD LYS 77 1HD LYS 77 -1.828 13.440 4.722 374 2HD LYS 77 2HD LYS 77 -1.898 11.912 5.627 375 1HE LYS 77 1HE LYS 77 0.330 11.252 4.683 376 2HE LYS 77 2HE LYS 77 0.428 12.811 3.846 377 1HZ LYS 77 1HZ LYS 77 0.464 13.871 6.000 378 2HZ LYS 77 2HZ LYS 77 0.319 12.418 6.768 379 3HZ LYS 77 3HZ LYS 77 1.662 12.745 5.888 380 H GLY 78 H GLY 78 -4.621 9.746 5.935 381 1HA GLY 78 1HA GLY 78 -6.485 9.377 7.201 382 2HA GLY 78 2HA GLY 78 -7.375 10.312 5.984 383 H ALA 79 H ALA 79 -9.184 9.044 5.866 384 HA ALA 79 HA ALA 79 -9.651 6.413 5.986 385 1HB ALA 79 1HB ALA 79 -11.397 8.105 5.642 386 2HB ALA 79 2HB ALA 79 -10.903 8.291 3.942 387 3HB ALA 79 3HB ALA 79 -11.588 6.753 4.508 388 H GLU 80 H GLU 80 -8.242 8.046 3.191 389 HA GLU 80 HA GLU 80 -8.335 5.979 1.258 390 1HB GLU 80 1HB GLU 80 -7.689 8.554 1.210 391 2HB GLU 80 2HB GLU 80 -6.084 7.964 1.630 392 1HG GLU 80 1HG GLU 80 -6.174 6.573 -0.494 393 2HG GLU 80 2HG GLU 80 -7.691 7.395 -0.882 394 H ALA 81 H ALA 81 -5.674 6.897 3.564 395 HA ALA 81 HA ALA 81 -4.006 4.680 2.764 396 1HB ALA 81 1HB ALA 81 -3.136 6.842 3.619 397 2HB ALA 81 2HB ALA 81 -3.836 6.485 5.211 398 3HB ALA 81 3HB ALA 81 -2.550 5.452 4.538 399 H GLU 82 H GLU 82 -6.271 5.374 5.447 400 HA GLU 82 HA GLU 82 -5.781 3.060 7.031 401 1HB GLU 82 1HB GLU 82 -8.316 4.678 6.580 402 2HB GLU 82 2HB GLU 82 -8.097 3.499 7.877 403 1HG GLU 82 1HG GLU 82 -6.335 4.793 8.891 404 2HG GLU 82 2HG GLU 82 -6.249 5.913 7.531 405 H ALA 83 H ALA 83 -8.167 3.617 4.405 406 HA ALA 83 HA ALA 83 -9.253 1.019 4.306 407 1HB ALA 83 1HB ALA 83 -8.889 3.017 2.028 408 2HB ALA 83 2HB ALA 83 -9.975 1.615 2.033 409 3HB ALA 83 3HB ALA 83 -10.260 2.944 3.158 410 H VAL 84 H VAL 84 -6.500 2.437 2.404 411 HA VAL 84 HA VAL 84 -5.746 0.110 1.050 412 HB VAL 84 HB VAL 84 -3.943 2.265 2.190 413 1HG1 VAL 84 1HG1 VAL 84 -2.240 1.391 0.666 414 2HG1 VAL 84 2HG1 VAL 84 -2.629 0.149 1.849 415 3HG1 VAL 84 3HG1 VAL 84 -3.286 0.042 0.209 416 1HG2 VAL 84 1HG2 VAL 84 -3.672 2.882 -0.201 417 2HG2 VAL 84 2HG2 VAL 84 -4.927 1.704 -0.629 418 3HG2 VAL 84 3HG2 VAL 84 -5.345 3.116 0.351 419 H ALA 85 H ALA 85 -4.551 1.161 4.291 420 HA ALA 85 HA ALA 85 -2.828 -0.973 4.763 421 1HB ALA 85 1HB ALA 85 -3.083 -0.386 7.129 422 2HB ALA 85 2HB ALA 85 -2.967 1.064 6.107 423 3HB ALA 85 3HB ALA 85 -4.534 0.565 6.776 424 H ALA 86 H ALA 86 -6.262 -0.751 5.837 425 HA ALA 86 HA ALA 86 -6.391 -3.359 6.963 426 1HB ALA 86 1HB ALA 86 -8.837 -3.096 6.748 427 2HB ALA 86 2HB ALA 86 -8.071 -1.624 7.382 428 3HB ALA 86 3HB ALA 86 -8.602 -1.689 5.687 429 H TRP 87 H TRP 87 -7.360 -2.234 3.685 430 HA TRP 87 HA TRP 87 -8.158 -4.699 2.573 431 1HB TRP 87 1HB TRP 87 -8.616 -2.727 1.427 432 2HB TRP 87 2HB TRP 87 -6.944 -2.168 1.532 433 HD1 TRP 87 HD TRP 87 -9.009 -4.599 -0.614 434 HE1 TRP 87 1HE TRP 87 -7.642 -5.253 -2.653 435 HE3 TRP 87 3HE TRP 87 -4.866 -1.760 0.284 436 HZ2 TRP 87 2HZ TRP 87 -4.816 -4.793 -3.588 437 HZ3 TRP 87 3HZ TRP 87 -2.948 -1.814 -1.250 438 HH2 TRP 87 HH TRP 87 -2.945 -3.406 -3.155 439 H LEU 88 H LEU 88 -4.871 -3.280 2.801 440 HA LEU 88 HA LEU 88 -3.812 -5.452 1.277 441 1HB LEU 88 1HB LEU 88 -2.987 -2.907 1.655 442 2HB LEU 88 2HB LEU 88 -1.886 -3.716 2.743 443 HG LEU 88 HG LEU 88 -1.311 -3.225 0.245 444 1HD1 LEU 88 1HD1 LEU 88 0.390 -4.435 0.763 445 2HD1 LEU 88 2HD1 LEU 88 -0.521 -5.416 1.956 446 3HD1 LEU 88 3HD1 LEU 88 -0.475 -5.897 0.244 447 1HD2 LEU 88 1HD2 LEU 88 -1.892 -4.648 -1.473 448 2HD2 LEU 88 2HD2 LEU 88 -2.416 -5.958 -0.425 449 3HD2 LEU 88 3HD2 LEU 88 -3.444 -4.582 -0.575 450 H ALA 89 H ALA 89 -3.982 -4.797 4.617 451 HA ALA 89 HA ALA 89 -2.511 -7.039 5.676 452 1HB ALA 89 1HB ALA 89 -3.270 -5.294 7.131 453 2HB ALA 89 2HB ALA 89 -4.973 -5.668 6.785 454 3HB ALA 89 3HB ALA 89 -3.954 -6.847 7.629 455 H GLU 90 H GLU 90 -5.820 -6.614 4.443 456 HA GLU 90 HA GLU 90 -6.569 -9.366 4.771 457 1HB GLU 90 1HB GLU 90 -8.031 -7.450 4.956 458 2HB GLU 90 2HB GLU 90 -7.822 -7.045 3.269 459 1HG GLU 90 1HG GLU 90 -8.806 -9.830 3.812 460 2HG GLU 90 2HG GLU 90 -9.895 -8.507 4.251 461 H LYS 91 H LYS 91 -4.708 -7.797 2.211 462 HA LYS 91 HA LYS 91 -5.818 -9.346 0.039 463 1HB LYS 91 1HB LYS 91 -4.573 -7.031 0.234 464 2HB LYS 91 2HB LYS 91 -3.124 -7.973 -0.081 465 1HG LYS 91 1HG LYS 91 -5.650 -7.938 -1.815 466 2HG LYS 91 2HG LYS 91 -4.372 -6.757 -2.012 467 1HD LYS 91 1HD LYS 91 -3.910 -9.740 -2.495 468 2HD LYS 91 2HD LYS 91 -4.489 -8.609 -3.705 469 1HE LYS 91 1HE LYS 91 -2.377 -7.186 -3.116 470 2HE LYS 91 2HE LYS 91 -1.801 -8.669 -2.321 471 1HZ LYS 91 1HZ LYS 91 -1.776 -9.727 -4.479 472 2HZ LYS 91 2HZ LYS 91 -2.652 -8.605 -5.258 473 3HZ LYS 91 3HZ LYS 91 -1.173 -8.237 -4.816 474 H LYS 92 H LYS 92 -3.451 -9.941 2.354 475 HA LYS 92 HA LYS 92 -1.220 -10.848 1.035 476 1HB LYS 92 1HB LYS 92 -0.516 -11.485 3.142 477 2HB LYS 92 2HB LYS 92 -1.409 -9.947 3.139 478 1HG LYS 92 1HG LYS 92 -3.480 -11.207 3.959 479 2HG LYS 92 2HG LYS 92 -2.526 -12.693 3.914 480 1HD LYS 92 1HD LYS 92 -1.110 -11.861 5.739 481 2HD LYS 92 2HD LYS 92 -2.046 -10.354 5.771 482 1HE LYS 92 1HE LYS 92 -2.786 -11.897 7.529 483 2HE LYS 92 2HE LYS 92 -4.074 -11.494 6.383 484 1HZ LYS 92 1HZ LYS 92 -2.470 -13.963 6.285 485 2HZ LYS 92 2HZ LYS 92 -3.997 -13.850 6.900 486 3HZ LYS 92 3HZ LYS 92 -3.733 -13.582 5.300 487 HHA HEC 93 HHA HEC 93 8.569 -0.125 0.428 488 HHB HEC 93 HHB HEC 93 2.131 0.081 0.728 489 HHC HEC 93 HHC HEC 93 2.264 4.325 -4.103 490 HHD HEC 93 HHD HEC 93 8.522 3.307 -4.912 491 1HMA HEC 93 1HMA HEC 93 3.101 -0.690 2.828 492 2HMA HEC 93 2HMA HEC 93 3.587 -2.252 2.122 493 3HMA HEC 93 3HMA HEC 93 4.531 -1.519 3.435 494 1HAA HEC 93 1HAA HEC 93 6.770 -1.671 3.202 495 2HAA HEC 93 2HAA HEC 93 7.905 -0.524 2.609 496 1HBA HEC 93 1HBA HEC 93 7.998 -2.130 0.548 497 2HBA HEC 93 2HBA HEC 93 7.260 -3.314 1.628 498 1HMB HEC 93 1HMB HEC 93 -0.920 1.293 -1.123 499 2HMB HEC 93 2HMB HEC 93 0.126 -0.117 -1.030 500 3HMB HEC 93 3HMB HEC 93 -0.035 0.945 0.377 501 HAB HEC 93 HAB HEC 93 0.336 4.278 -3.345 502 1HBB HEC 93 1HBB HEC 93 -0.250 4.962 -1.121 503 2HBB HEC 93 2HBB HEC 93 -1.709 4.622 -2.070 504 3HBB HEC 93 3HBB HEC 93 -1.163 3.473 -0.836 505 1HMC HEC 93 1HMC HEC 93 3.219 6.121 -5.463 506 2HMC HEC 93 2HMC HEC 93 4.259 5.896 -6.877 507 3HMC HEC 93 3HMC HEC 93 3.015 4.702 -6.510 508 HAC HEC 93 HAC HEC 93 7.864 4.410 -6.561 509 1HBC HEC 93 1HBC HEC 93 7.514 6.631 -7.605 510 2HBC HEC 93 2HBC HEC 93 6.153 6.905 -6.497 511 3HBC HEC 93 3HBC HEC 93 7.781 6.636 -5.858 512 1HMD HEC 93 1HMD HEC 93 11.211 0.902 -3.981 513 2HMD HEC 93 2HMD HEC 93 10.123 1.812 -5.017 514 3HMD HEC 93 3HMD HEC 93 11.198 2.683 -3.894 515 1HAD HEC 93 1HAD HEC 93 10.866 -0.556 -1.197 516 2HAD HEC 93 2HAD HEC 93 10.463 0.465 0.055 517 1HBD HEC 93 1HBD HEC 93 12.657 0.822 -0.057 518 2HBD HEC 93 2HBD HEC 93 11.789 2.298 -0.467 Start of MODEL 20 1 1H VAL 22 1H VAL 22 -14.528 4.513 -0.270 2 2H VAL 22 2H VAL 22 -13.570 4.661 1.064 3 3H VAL 22 3H VAL 22 -14.326 6.002 0.427 4 HA VAL 22 HA VAL 22 -13.074 5.719 -1.594 5 HB VAL 22 HB VAL 22 -11.250 5.886 0.850 6 1HG1 VAL 22 1HG1 VAL 22 -9.903 7.312 -0.711 7 2HG1 VAL 22 2HG1 VAL 22 -9.994 5.622 -1.234 8 3HG1 VAL 22 3HG1 VAL 22 -10.984 6.859 -2.037 9 1HG2 VAL 22 1HG2 VAL 22 -11.560 8.350 0.596 10 2HG2 VAL 22 2HG2 VAL 22 -12.828 8.057 -0.611 11 3HG2 VAL 22 3HG2 VAL 22 -13.054 7.546 1.081 12 H ASP 23 H ASP 23 -12.913 3.943 -2.731 13 HA ASP 23 HA ASP 23 -12.901 1.478 -1.616 14 1HB ASP 23 1HB ASP 23 -12.543 2.285 -4.520 15 2HB ASP 23 2HB ASP 23 -13.148 0.730 -3.931 16 H ALA 24 H ALA 24 -11.287 0.445 -0.727 17 HA ALA 24 HA ALA 24 -8.761 1.341 -0.628 18 1HB ALA 24 1HB ALA 24 -9.824 -0.219 0.978 19 2HB ALA 24 2HB ALA 24 -9.556 -1.537 -0.184 20 3HB ALA 24 3HB ALA 24 -8.167 -0.633 0.499 21 H GLU 25 H GLU 25 -9.682 -1.571 -2.580 22 HA GLU 25 HA GLU 25 -7.038 -1.871 -3.604 23 1HB GLU 25 1HB GLU 25 -7.821 -3.529 -4.987 24 2HB GLU 25 2HB GLU 25 -8.956 -3.598 -3.637 25 1HG GLU 25 1HG GLU 25 -10.547 -2.209 -5.016 26 2HG GLU 25 2HG GLU 25 -9.396 -2.361 -6.392 27 H ALA 26 H ALA 26 -9.850 0.059 -4.698 28 HA ALA 26 HA ALA 26 -8.885 0.683 -7.278 29 1HB ALA 26 1HB ALA 26 -11.234 1.060 -6.427 30 2HB ALA 26 2HB ALA 26 -10.614 2.517 -5.604 31 3HB ALA 26 3HB ALA 26 -10.525 2.393 -7.362 32 H VAL 27 H VAL 27 -8.400 2.342 -4.144 33 HA VAL 27 HA VAL 27 -6.568 4.461 -4.996 34 HB VAL 27 HB VAL 27 -6.447 2.741 -2.477 35 1HG1 VAL 27 1HG1 VAL 27 -4.347 3.951 -2.913 36 2HG1 VAL 27 2HG1 VAL 27 -5.263 5.458 -3.152 37 3HG1 VAL 27 3HG1 VAL 27 -5.215 4.681 -1.562 38 1HG2 VAL 27 1HG2 VAL 27 -7.790 5.439 -2.924 39 2HG2 VAL 27 2HG2 VAL 27 -8.640 3.905 -2.643 40 3HG2 VAL 27 3HG2 VAL 27 -7.621 4.588 -1.373 41 H VAL 28 H VAL 28 -5.702 1.032 -3.980 42 HA VAL 28 HA VAL 28 -3.084 1.791 -4.676 43 HB VAL 28 HB VAL 28 -4.287 -0.932 -4.103 44 1HG1 VAL 28 1HG1 VAL 28 -1.930 -0.920 -5.193 45 2HG1 VAL 28 2HG1 VAL 28 -1.375 -0.292 -3.615 46 3HG1 VAL 28 3HG1 VAL 28 -2.137 -1.831 -3.708 47 1HG2 VAL 28 1HG2 VAL 28 -4.589 0.125 -2.087 48 2HG2 VAL 28 2HG2 VAL 28 -2.822 -0.015 -1.889 49 3HG2 VAL 28 3HG2 VAL 28 -3.509 1.465 -2.492 50 H GLN 29 H GLN 29 -5.419 0.026 -6.428 51 HA GLN 29 HA GLN 29 -3.979 -0.603 -8.803 52 1HB GLN 29 1HB GLN 29 -6.928 -0.328 -8.093 53 2HB GLN 29 2HB GLN 29 -6.420 -0.917 -9.646 54 1HG GLN 29 1HG GLN 29 -5.743 -2.231 -6.991 55 2HG GLN 29 2HG GLN 29 -6.910 -2.792 -8.191 56 1HE2 GLN 29 1HE2 GLN 29 -3.992 -3.635 -7.044 57 2HE2 GLN 29 2HE2 GLN 29 -3.179 -4.117 -8.528 58 H GLN 30 H GLN 30 -4.717 2.474 -7.643 59 HA GLN 30 HA GLN 30 -4.101 3.484 -10.389 60 1HB GLN 30 1HB GLN 30 -6.402 4.036 -9.096 61 2HB GLN 30 2HB GLN 30 -5.396 5.288 -8.367 62 1HG GLN 30 1HG GLN 30 -4.745 6.062 -10.662 63 2HG GLN 30 2HG GLN 30 -5.770 4.800 -11.366 64 1HE2 GLN 30 1HE2 GLN 30 -8.125 4.845 -10.110 65 2HE2 GLN 30 2HE2 GLN 30 -8.854 6.439 -10.208 66 H LYS 31 H LYS 31 -3.298 3.625 -6.958 67 HA LYS 31 HA LYS 31 -1.572 5.999 -7.316 68 1HB LYS 31 1HB LYS 31 -3.155 4.747 -5.026 69 2HB LYS 31 2HB LYS 31 -1.892 5.823 -4.687 70 1HG LYS 31 1HG LYS 31 -3.215 7.315 -6.589 71 2HG LYS 31 2HG LYS 31 -4.544 6.431 -5.814 72 1HD LYS 31 1HD LYS 31 -3.790 7.220 -3.596 73 2HD LYS 31 2HD LYS 31 -2.351 7.963 -4.318 74 1HE LYS 31 1HE LYS 31 -3.683 9.599 -5.509 75 2HE LYS 31 2HE LYS 31 -5.189 8.848 -4.930 76 1HZ LYS 31 1HZ LYS 31 -4.688 9.406 -2.762 77 2HZ LYS 31 2HZ LYS 31 -3.159 9.911 -3.070 78 3HZ LYS 31 3HZ LYS 31 -4.466 10.792 -3.604 79 H CYS 32 H CYS 32 -1.306 2.576 -6.691 80 HA CYS 32 HA CYS 32 1.469 2.992 -5.618 81 1HB CYS 32 1HB CYS 32 -0.271 0.646 -5.136 82 2HB CYS 32 2HB CYS 32 1.114 1.126 -4.180 83 H ILE 33 H ILE 33 -0.659 0.923 -7.606 84 HA ILE 33 HA ILE 33 1.234 -0.890 -8.548 85 HB ILE 33 HB ILE 33 -0.094 -1.039 -10.598 86 1HG1 ILE 33 1HG1 ILE 33 -1.953 1.110 -9.520 87 2HG1 ILE 33 2HG1 ILE 33 -0.701 1.455 -10.713 88 1HG2 ILE 33 1HG2 ILE 33 -1.774 -0.957 -8.059 89 2HG2 ILE 33 2HG2 ILE 33 -2.138 -1.877 -9.530 90 3HG2 ILE 33 3HG2 ILE 33 -0.723 -2.271 -8.562 91 1HD1 ILE 33 1HD1 ILE 33 -1.617 -0.241 -12.247 92 2HD1 ILE 33 2HD1 ILE 33 -2.968 -0.514 -11.127 93 3HD1 ILE 33 3HD1 ILE 33 -2.746 1.073 -11.887 94 H SER 34 H SER 34 0.935 2.516 -9.325 95 HA SER 34 HA SER 34 2.356 3.052 -11.525 96 1HB SER 34 1HB SER 34 2.983 4.384 -8.882 97 2HB SER 34 2HB SER 34 2.723 5.132 -10.465 98 HG SER 34 HG SER 34 0.497 4.646 -10.231 99 H CYS 35 H CYS 35 3.762 1.953 -8.396 100 HA CYS 35 HA CYS 35 6.397 1.584 -9.785 101 1HB CYS 35 1HB CYS 35 6.212 2.071 -6.804 102 2HB CYS 35 2HB CYS 35 7.585 2.188 -7.878 103 H HIS 36 H HIS 36 4.040 0.291 -7.415 104 HA HIS 36 HA HIS 36 5.616 -2.109 -6.966 105 1HB HIS 36 1HB HIS 36 2.837 -1.239 -6.153 106 2HB HIS 36 2HB HIS 36 3.558 -2.793 -5.706 107 HD1 HIS 36 1HD HIS 36 5.808 -2.697 -4.136 108 HD2 HIS 36 2HD HIS 36 3.618 0.885 -4.671 109 HE1 HIS 36 1HE HIS 36 6.492 -1.108 -2.266 110 H GLY 37 H GLY 37 3.591 -1.225 -9.600 111 1HA GLY 37 1HA GLY 37 3.217 -2.471 -11.486 112 2HA GLY 37 2HA GLY 37 3.781 -3.947 -10.686 113 H GLY 38 H GLY 38 1.384 -3.668 -12.296 114 1HA GLY 38 1HA GLY 38 -1.045 -3.125 -11.260 115 2HA GLY 38 2HA GLY 38 -0.749 -4.519 -12.296 116 H ASP 39 H ASP 39 0.216 -6.490 -11.063 117 HA ASP 39 HA ASP 39 -1.632 -7.304 -9.090 118 1HB ASP 39 1HB ASP 39 0.967 -8.594 -10.004 119 2HB ASP 39 2HB ASP 39 -0.390 -9.408 -9.207 120 H LEU 40 H LEU 40 0.995 -5.306 -8.592 121 HA LEU 40 HA LEU 40 2.150 -4.589 -6.838 122 1HB LEU 40 1HB LEU 40 0.274 -6.245 -5.130 123 2HB LEU 40 2HB LEU 40 1.285 -4.909 -4.602 124 HG LEU 40 HG LEU 40 -0.664 -4.411 -6.888 125 1HD1 LEU 40 1HD1 LEU 40 -2.045 -5.535 -5.279 126 2HD1 LEU 40 2HD1 LEU 40 -1.419 -4.503 -3.973 127 3HD1 LEU 40 3HD1 LEU 40 -2.392 -3.797 -5.298 128 1HD2 LEU 40 1HD2 LEU 40 -0.535 -2.191 -6.225 129 2HD2 LEU 40 2HD2 LEU 40 0.104 -2.585 -4.620 130 3HD2 LEU 40 3HD2 LEU 40 1.120 -2.753 -6.063 131 H THR 41 H THR 41 2.854 -7.050 -8.284 132 HA THR 41 HA THR 41 4.359 -8.762 -6.522 133 HB THR 41 HB THR 41 5.103 -9.521 -8.917 134 HG1 THR 41 1HG THR 41 4.570 -7.671 -10.063 135 1HG2 THR 41 1HG2 THR 41 2.148 -9.499 -8.121 136 2HG2 THR 41 2HG2 THR 41 2.872 -10.546 -9.357 137 3HG2 THR 41 3HG2 THR 41 3.359 -10.708 -7.657 138 H GLY 42 H GLY 42 4.910 -5.586 -7.702 139 1HA GLY 42 1HA GLY 42 6.694 -4.355 -6.994 140 2HA GLY 42 2HA GLY 42 7.725 -5.784 -6.852 141 H ALA 43 H ALA 43 7.156 -3.062 -8.782 142 HA ALA 43 HA ALA 43 8.603 -4.307 -11.106 143 1HB ALA 43 1HB ALA 43 7.654 -2.516 -12.481 144 2HB ALA 43 2HB ALA 43 6.404 -3.562 -11.781 145 3HB ALA 43 3HB ALA 43 6.679 -1.948 -11.109 146 H SER 44 H SER 44 8.129 -1.000 -9.845 147 HA SER 44 HA SER 44 11.080 -0.519 -9.924 148 1HB SER 44 1HB SER 44 8.786 1.466 -9.756 149 2HB SER 44 2HB SER 44 10.508 1.840 -9.923 150 HG SER 44 HG SER 44 9.028 0.265 -11.776 151 H ALA 45 H ALA 45 8.896 -1.695 -7.813 152 HA ALA 45 HA ALA 45 10.155 -0.634 -5.367 153 1HB ALA 45 1HB ALA 45 7.913 -0.269 -4.414 154 2HB ALA 45 2HB ALA 45 8.110 0.745 -5.849 155 3HB ALA 45 3HB ALA 45 7.156 -0.740 -5.944 156 HA PRO 46 HA PRO 46 9.987 -4.983 -4.667 157 1HB PRO 46 1HB PRO 46 9.434 -5.319 -1.988 158 2HB PRO 46 2HB PRO 46 10.982 -4.663 -2.593 159 1HG PRO 46 1HG PRO 46 8.555 -3.105 -1.668 160 2HG PRO 46 2HG PRO 46 10.248 -2.910 -1.121 161 1HD PRO 46 1HD PRO 46 9.220 -1.316 -3.042 162 2HD PRO 46 2HD PRO 46 10.878 -1.947 -3.244 163 H ALA 47 H ALA 47 8.590 -6.815 -4.048 164 HA ALA 47 HA ALA 47 5.885 -6.519 -4.888 165 1HB ALA 47 1HB ALA 47 5.656 -8.859 -4.183 166 2HB ALA 47 2HB ALA 47 7.230 -8.674 -4.984 167 3HB ALA 47 3HB ALA 47 7.143 -8.759 -3.221 168 H ILE 48 H ILE 48 4.192 -5.760 -3.719 169 HA ILE 48 HA ILE 48 4.297 -6.089 -0.770 170 HB ILE 48 HB ILE 48 3.203 -4.018 -0.290 171 1HG1 ILE 48 1HG1 ILE 48 3.308 -2.144 -1.954 172 2HG1 ILE 48 2HG1 ILE 48 3.400 -3.366 -3.219 173 1HG2 ILE 48 1HG2 ILE 48 5.704 -3.609 -1.934 174 2HG2 ILE 48 2HG2 ILE 48 5.104 -2.591 -0.609 175 3HG2 ILE 48 3HG2 ILE 48 5.659 -4.237 -0.271 176 1HD1 ILE 48 1HD1 ILE 48 1.097 -2.402 -2.685 177 2HD1 ILE 48 2HD1 ILE 48 1.124 -4.169 -2.467 178 3HD1 ILE 48 3HD1 ILE 48 1.218 -3.082 -1.065 179 H ASP 49 H ASP 49 2.879 -7.251 -3.472 180 HA ASP 49 HA ASP 49 0.225 -7.542 -2.862 181 1HB ASP 49 1HB ASP 49 0.298 -9.657 -3.987 182 2HB ASP 49 2HB ASP 49 1.441 -8.590 -4.792 183 H LYS 50 H LYS 50 2.921 -9.275 -1.343 184 HA LYS 50 HA LYS 50 1.118 -10.544 0.649 185 1HB LYS 50 1HB LYS 50 3.895 -11.100 -0.329 186 2HB LYS 50 2HB LYS 50 3.611 -11.406 1.366 187 1HG LYS 50 1HG LYS 50 3.064 -13.451 0.532 188 2HG LYS 50 2HG LYS 50 1.493 -12.701 0.751 189 1HD LYS 50 1HD LYS 50 1.464 -13.791 -1.355 190 2HD LYS 50 2HD LYS 50 1.531 -12.059 -1.702 191 1HE LYS 50 1HE LYS 50 3.914 -12.178 -2.228 192 2HE LYS 50 2HE LYS 50 4.040 -13.825 -1.590 193 1HZ LYS 50 1HZ LYS 50 2.554 -12.896 -3.929 194 2HZ LYS 50 2HZ LYS 50 3.947 -13.767 -3.975 195 3HZ LYS 50 3HZ LYS 50 2.559 -14.481 -3.421 196 H ALA 51 H ALA 51 2.199 -7.522 0.545 197 HA ALA 51 HA ALA 51 3.818 -7.166 2.787 198 1HB ALA 51 1HB ALA 51 1.721 -5.377 1.588 199 2HB ALA 51 2HB ALA 51 2.893 -4.848 2.814 200 3HB ALA 51 3HB ALA 51 3.458 -5.476 1.241 201 H GLY 52 H GLY 52 0.086 -7.357 2.794 202 1HA GLY 52 1HA GLY 52 -0.220 -6.940 5.516 203 2HA GLY 52 2HA GLY 52 -1.173 -8.021 4.501 204 H ALA 53 H ALA 53 1.074 -9.868 3.904 205 HA ALA 53 HA ALA 53 0.862 -11.583 6.245 206 1HB ALA 53 1HB ALA 53 2.756 -11.891 3.878 207 2HB ALA 53 2HB ALA 53 2.277 -13.119 5.049 208 3HB ALA 53 3HB ALA 53 1.090 -12.498 3.899 209 H ASN 54 H ASN 54 3.197 -9.254 5.003 210 HA ASN 54 HA ASN 54 5.390 -10.271 6.728 211 1HB ASN 54 1HB ASN 54 5.260 -8.113 4.580 212 2HB ASN 54 2HB ASN 54 6.687 -8.472 5.554 213 1HD2 ASN 54 1HD2 ASN 54 4.365 -10.050 3.245 214 2HD2 ASN 54 2HD2 ASN 54 5.585 -11.168 2.651 215 H TYR 55 H TYR 55 3.122 -7.580 6.476 216 HA TYR 55 HA TYR 55 4.306 -6.238 8.848 217 1HB TYR 55 1HB TYR 55 3.436 -4.835 6.289 218 2HB TYR 55 2HB TYR 55 4.228 -4.109 7.678 219 HD1 TYR 55 1HD TYR 55 4.786 -4.938 4.385 220 HD2 TYR 55 2HD TYR 55 6.601 -5.441 8.263 221 HE1 TYR 55 1HE TYR 55 7.020 -5.067 3.320 222 HE2 TYR 55 2HE TYR 55 8.828 -5.634 7.184 223 HH TYR 55 HH TYR 55 9.357 -4.936 3.759 224 H SER 56 H SER 56 2.687 -5.089 10.103 225 HA SER 56 HA SER 56 -0.039 -6.096 9.544 226 1HB SER 56 1HB SER 56 -0.484 -4.861 11.771 227 2HB SER 56 2HB SER 56 0.475 -6.339 11.771 228 HG SER 56 HG SER 56 1.309 -4.384 12.949 229 H GLU 57 H GLU 57 -1.876 -4.604 9.793 230 HA GLU 57 HA GLU 57 -1.967 -2.705 7.741 231 1HB GLU 57 1HB GLU 57 -4.023 -1.827 9.067 232 2HB GLU 57 2HB GLU 57 -4.079 -3.415 8.329 233 1HG GLU 57 1HG GLU 57 -3.326 -3.134 11.262 234 2HG GLU 57 2HG GLU 57 -4.999 -3.133 10.708 235 H GLU 58 H GLU 58 -1.496 -2.114 11.241 236 HA GLU 58 HA GLU 58 -1.187 0.648 11.272 237 1HB GLU 58 1HB GLU 58 0.217 0.244 13.293 238 2HB GLU 58 2HB GLU 58 -1.269 -0.707 13.268 239 1HG GLU 58 1HG GLU 58 0.182 -2.608 12.249 240 2HG GLU 58 2HG GLU 58 1.572 -1.658 12.793 241 H GLU 59 H GLU 59 1.442 -1.753 10.617 242 HA GLU 59 HA GLU 59 3.491 0.185 10.224 243 1HB GLU 59 1HB GLU 59 3.163 -2.672 9.186 244 2HB GLU 59 2HB GLU 59 4.640 -1.728 9.032 245 1HG GLU 59 1HG GLU 59 4.589 -1.453 11.589 246 2HG GLU 59 2HG GLU 59 3.323 -2.696 11.592 247 H ILE 60 H ILE 60 1.324 -1.475 7.947 248 HA ILE 60 HA ILE 60 2.489 -0.377 5.561 249 HB ILE 60 HB ILE 60 -0.265 -1.507 6.126 250 1HG1 ILE 60 1HG1 ILE 60 2.024 -2.778 4.583 251 2HG1 ILE 60 2HG1 ILE 60 1.858 -2.977 6.331 252 1HG2 ILE 60 1HG2 ILE 60 1.007 -0.651 3.503 253 2HG2 ILE 60 2HG2 ILE 60 -0.350 -1.791 3.573 254 3HG2 ILE 60 3HG2 ILE 60 -0.554 -0.164 4.208 255 1HD1 ILE 60 1HD1 ILE 60 -0.207 -3.877 4.289 256 2HD1 ILE 60 2HD1 ILE 60 0.908 -4.878 5.227 257 3HD1 ILE 60 3HD1 ILE 60 -0.371 -3.975 6.058 258 H LEU 61 H LEU 61 -0.280 0.591 7.556 259 HA LEU 61 HA LEU 61 -1.197 2.862 6.231 260 1HB LEU 61 1HB LEU 61 -2.207 1.746 8.231 261 2HB LEU 61 2HB LEU 61 -0.936 2.379 9.243 262 HG LEU 61 HG LEU 61 -1.639 4.697 8.760 263 1HD1 LEU 61 1HD1 LEU 61 -3.939 4.985 7.720 264 2HD1 LEU 61 2HD1 LEU 61 -2.686 4.458 6.588 265 3HD1 LEU 61 3HD1 LEU 61 -3.842 3.276 7.230 266 1HD2 LEU 61 1HD2 LEU 61 -3.833 2.866 9.812 267 2HD2 LEU 61 2HD2 LEU 61 -2.468 3.515 10.749 268 3HD2 LEU 61 3HD2 LEU 61 -3.702 4.614 10.105 269 H ASP 62 H ASP 62 1.276 2.598 8.840 270 HA ASP 62 HA ASP 62 1.884 5.377 8.865 271 1HB ASP 62 1HB ASP 62 2.585 3.818 10.657 272 2HB ASP 62 2HB ASP 62 3.754 3.074 9.550 273 H ILE 63 H ILE 63 3.285 2.655 7.031 274 HA ILE 63 HA ILE 63 5.392 4.176 5.803 275 HB ILE 63 HB ILE 63 4.012 1.539 5.285 276 1HG1 ILE 63 1HG1 ILE 63 6.968 2.192 5.542 277 2HG1 ILE 63 2HG1 ILE 63 5.913 2.004 6.951 278 1HG2 ILE 63 1HG2 ILE 63 4.215 2.227 3.019 279 2HG2 ILE 63 2HG2 ILE 63 5.864 2.866 3.278 280 3HG2 ILE 63 3HG2 ILE 63 5.543 1.127 3.343 281 1HD1 ILE 63 1HD1 ILE 63 6.442 -0.158 4.870 282 2HD1 ILE 63 2HD1 ILE 63 7.063 -0.085 6.522 283 3HD1 ILE 63 3HD1 ILE 63 5.323 -0.290 6.245 284 H ILE 64 H ILE 64 2.030 3.538 4.728 285 HA ILE 64 HA ILE 64 2.264 4.922 2.232 286 HB ILE 64 HB ILE 64 -0.095 4.444 4.084 287 1HG1 ILE 64 1HG1 ILE 64 0.497 3.088 1.437 288 2HG1 ILE 64 2HG1 ILE 64 1.275 2.505 2.909 289 1HG2 ILE 64 1HG2 ILE 64 -1.499 4.898 2.036 290 2HG2 ILE 64 2HG2 ILE 64 -0.687 6.325 2.669 291 3HG2 ILE 64 3HG2 ILE 64 -0.041 5.512 1.231 292 1HD1 ILE 64 1HD1 ILE 64 -0.749 1.263 2.531 293 2HD1 ILE 64 2HD1 ILE 64 -0.910 2.215 4.014 294 3HD1 ILE 64 3HD1 ILE 64 -1.725 2.748 2.537 295 H LEU 65 H LEU 65 1.209 6.032 5.474 296 HA LEU 65 HA LEU 65 0.701 8.721 4.658 297 1HB LEU 65 1HB LEU 65 1.282 7.464 7.355 298 2HB LEU 65 2HB LEU 65 0.778 9.144 7.155 299 HG LEU 65 HG LEU 65 -0.970 6.812 6.197 300 1HD1 LEU 65 1HD1 LEU 65 -2.214 7.133 8.289 301 2HD1 LEU 65 2HD1 LEU 65 -0.530 6.718 8.673 302 3HD1 LEU 65 3HD1 LEU 65 -1.079 8.396 8.811 303 1HD2 LEU 65 1HD2 LEU 65 -2.720 8.528 6.319 304 2HD2 LEU 65 2HD2 LEU 65 -1.508 9.759 6.733 305 3HD2 LEU 65 3HD2 LEU 65 -1.445 8.940 5.154 306 H ASN 66 H ASN 66 3.634 7.114 5.671 307 HA ASN 66 HA ASN 66 5.118 9.640 6.145 308 1HB ASN 66 1HB ASN 66 5.644 6.705 6.784 309 2HB ASN 66 2HB ASN 66 6.883 7.910 6.906 310 1HD2 ASN 66 1HD2 ASN 66 3.634 7.171 8.016 311 2HD2 ASN 66 2HD2 ASN 66 3.961 7.520 9.676 312 H GLY 67 H GLY 67 5.696 6.499 4.452 313 1HA GLY 67 1HA GLY 67 6.592 6.794 2.076 314 2HA GLY 67 2HA GLY 67 7.889 7.713 2.871 315 H GLN 68 H GLN 68 9.003 5.862 1.707 316 HA GLN 68 HA GLN 68 10.099 4.170 3.706 317 1HB GLN 68 1HB GLN 68 8.399 2.414 2.755 318 2HB GLN 68 2HB GLN 68 8.947 2.891 1.167 319 1HG GLN 68 1HG GLN 68 9.761 0.758 2.012 320 2HG GLN 68 2HG GLN 68 11.061 1.851 1.512 321 1HE2 GLN 68 1HE2 GLN 68 10.579 -0.584 3.476 322 2HE2 GLN 68 2HE2 GLN 68 11.530 -0.041 4.854 323 H GLY 69 H GLY 69 12.272 3.444 2.731 324 1HA GLY 69 1HA GLY 69 14.115 4.843 1.845 325 2HA GLY 69 2HA GLY 69 13.820 3.413 0.855 326 H GLY 70 H GLY 70 13.038 3.702 -1.357 327 1HA GLY 70 1HA GLY 70 13.140 6.463 -2.415 328 2HA GLY 70 2HA GLY 70 13.197 4.933 -3.290 329 H MET 71 H MET 71 10.773 5.743 -0.822 330 HA MET 71 HA MET 71 8.633 5.830 -2.904 331 1HB MET 71 1HB MET 71 8.614 3.867 -1.430 332 2HB MET 71 2HB MET 71 8.568 4.888 -0.029 333 1HG MET 71 1HG MET 71 6.435 5.745 -0.494 334 2HG MET 71 2HG MET 71 6.347 4.994 -2.087 335 1HE MET 71 1HE MET 71 3.864 3.343 0.808 336 2HE MET 71 2HE MET 71 4.663 4.910 1.049 337 3HE MET 71 3HE MET 71 3.872 4.537 -0.505 338 HA PRO 72 HA PRO 72 8.703 10.034 -1.441 339 1HB PRO 72 1HB PRO 72 6.358 11.041 -2.540 340 2HB PRO 72 2HB PRO 72 7.873 10.754 -3.442 341 1HG PRO 72 1HG PRO 72 5.470 8.941 -3.235 342 2HG PRO 72 2HG PRO 72 6.378 9.389 -4.705 343 1HD PRO 72 1HD PRO 72 6.847 7.042 -3.467 344 2HD PRO 72 2HD PRO 72 8.227 8.006 -4.087 345 H GLY 73 H GLY 73 5.683 8.224 -0.964 346 1HA GLY 73 1HA GLY 73 4.560 7.880 1.039 347 2HA GLY 73 2HA GLY 73 5.667 8.998 1.847 348 H GLY 74 H GLY 74 2.965 8.959 2.351 349 1HA GLY 74 1HA GLY 74 1.177 10.348 2.627 350 2HA GLY 74 2HA GLY 74 2.144 11.708 2.009 351 H ILE 75 H ILE 75 1.815 8.805 0.132 352 HA ILE 75 HA ILE 75 0.751 10.087 -2.179 353 HB ILE 75 HB ILE 75 1.084 7.204 -1.288 354 1HG1 ILE 75 1HG1 ILE 75 2.692 8.391 -3.522 355 2HG1 ILE 75 2HG1 ILE 75 3.059 9.017 -1.914 356 1HG2 ILE 75 1HG2 ILE 75 -0.614 7.084 -2.970 357 2HG2 ILE 75 2HG2 ILE 75 0.249 8.232 -4.025 358 3HG2 ILE 75 3HG2 ILE 75 0.904 6.610 -3.734 359 1HD1 ILE 75 1HD1 ILE 75 3.536 6.845 -1.037 360 2HD1 ILE 75 2HD1 ILE 75 2.910 6.054 -2.493 361 3HD1 ILE 75 3HD1 ILE 75 4.418 6.981 -2.575 362 H ALA 76 H ALA 76 -0.718 8.431 0.589 363 HA ALA 76 HA ALA 76 -3.369 9.262 -0.296 364 1HB ALA 76 1HB ALA 76 -4.186 6.961 0.593 365 2HB ALA 76 2HB ALA 76 -3.401 6.928 -1.005 366 3HB ALA 76 3HB ALA 76 -2.516 6.416 0.447 367 H LYS 77 H LYS 77 -4.645 9.838 1.607 368 HA LYS 77 HA LYS 77 -3.340 9.426 4.222 369 1HB LYS 77 1HB LYS 77 -3.979 12.121 2.963 370 2HB LYS 77 2HB LYS 77 -3.814 11.878 4.692 371 1HG LYS 77 1HG LYS 77 -1.528 10.650 3.567 372 2HG LYS 77 2HG LYS 77 -1.717 12.132 2.651 373 1HD LYS 77 1HD LYS 77 -1.523 13.448 4.710 374 2HD LYS 77 2HD LYS 77 -1.683 11.985 5.708 375 1HE LYS 77 1HE LYS 77 0.400 11.063 4.618 376 2HE LYS 77 2HE LYS 77 0.633 12.620 3.801 377 1HZ LYS 77 1HZ LYS 77 0.598 12.181 6.722 378 2HZ LYS 77 2HZ LYS 77 1.940 12.244 5.787 379 3HZ LYS 77 3HZ LYS 77 0.988 13.589 5.951 380 H GLY 78 H GLY 78 -4.586 9.890 6.062 381 1HA GLY 78 1HA GLY 78 -6.432 9.503 7.345 382 2HA GLY 78 2HA GLY 78 -7.318 10.470 6.151 383 H ALA 79 H ALA 79 -9.148 9.276 5.957 384 HA ALA 79 HA ALA 79 -9.715 6.663 6.089 385 1HB ALA 79 1HB ALA 79 -11.609 7.080 4.570 386 2HB ALA 79 2HB ALA 79 -11.384 8.419 5.712 387 3HB ALA 79 3HB ALA 79 -10.851 8.591 4.022 388 H GLU 80 H GLU 80 -8.190 8.228 3.293 389 HA GLU 80 HA GLU 80 -8.408 6.100 1.411 390 1HB GLU 80 1HB GLU 80 -7.756 8.614 1.139 391 2HB GLU 80 2HB GLU 80 -6.143 8.103 1.640 392 1HG GLU 80 1HG GLU 80 -6.162 6.474 -0.304 393 2HG GLU 80 2HG GLU 80 -7.692 7.185 -0.810 394 H ALA 81 H ALA 81 -5.753 7.021 3.735 395 HA ALA 81 HA ALA 81 -4.073 4.810 2.937 396 1HB ALA 81 1HB ALA 81 -2.619 5.580 4.682 397 2HB ALA 81 2HB ALA 81 -3.254 6.992 3.840 398 3HB ALA 81 3HB ALA 81 -3.918 6.550 5.427 399 H GLU 82 H GLU 82 -6.373 5.490 5.606 400 HA GLU 82 HA GLU 82 -6.041 3.126 7.143 401 1HB GLU 82 1HB GLU 82 -8.527 4.765 6.546 402 2HB GLU 82 2HB GLU 82 -8.413 3.533 7.802 403 1HG GLU 82 1HG GLU 82 -6.762 4.775 9.025 404 2HG GLU 82 2HG GLU 82 -6.538 5.941 7.719 405 H ALA 83 H ALA 83 -8.276 3.765 4.412 406 HA ALA 83 HA ALA 83 -9.364 1.197 4.164 407 1HB ALA 83 1HB ALA 83 -9.933 1.865 1.864 408 2HB ALA 83 2HB ALA 83 -10.258 3.171 3.007 409 3HB ALA 83 3HB ALA 83 -8.825 3.240 1.962 410 H VAL 84 H VAL 84 -6.499 2.582 2.402 411 HA VAL 84 HA VAL 84 -5.768 0.235 1.060 412 HB VAL 84 HB VAL 84 -3.917 2.328 2.264 413 1HG1 VAL 84 1HG1 VAL 84 -3.362 0.035 0.321 414 2HG1 VAL 84 2HG1 VAL 84 -2.257 1.380 0.643 415 3HG1 VAL 84 3HG1 VAL 84 -2.633 0.229 1.918 416 1HG2 VAL 84 1HG2 VAL 84 -3.600 3.014 -0.092 417 2HG2 VAL 84 2HG2 VAL 84 -4.877 1.882 -0.583 418 3HG2 VAL 84 3HG2 VAL 84 -5.276 3.268 0.447 419 H ALA 85 H ALA 85 -4.599 1.289 4.316 420 HA ALA 85 HA ALA 85 -2.886 -0.877 4.791 421 1HB ALA 85 1HB ALA 85 -4.533 0.783 6.750 422 2HB ALA 85 2HB ALA 85 -3.176 -0.274 7.175 423 3HB ALA 85 3HB ALA 85 -2.908 1.138 6.124 424 H ALA 86 H ALA 86 -6.310 -0.521 5.850 425 HA ALA 86 HA ALA 86 -6.559 -3.059 7.079 426 1HB ALA 86 1HB ALA 86 -8.665 -1.377 5.647 427 2HB ALA 86 2HB ALA 86 -8.990 -2.719 6.768 428 3HB ALA 86 3HB ALA 86 -8.190 -1.245 7.353 429 H TRP 87 H TRP 87 -7.402 -2.070 3.717 430 HA TRP 87 HA TRP 87 -8.253 -4.618 2.812 431 1HB TRP 87 1HB TRP 87 -8.821 -2.744 1.564 432 2HB TRP 87 2HB TRP 87 -7.150 -2.134 1.580 433 HD1 TRP 87 HD TRP 87 -9.216 -4.721 -0.348 434 HE1 TRP 87 1HE TRP 87 -7.826 -5.534 -2.354 435 HE3 TRP 87 3HE TRP 87 -5.113 -1.788 0.310 436 HZ2 TRP 87 2HZ TRP 87 -5.078 -5.000 -3.421 437 HZ3 TRP 87 3HZ TRP 87 -3.186 -1.966 -1.211 438 HH2 TRP 87 HH TRP 87 -3.297 -3.454 -3.193 439 H LEU 88 H LEU 88 -4.982 -3.123 2.674 440 HA LEU 88 HA LEU 88 -4.013 -5.383 1.194 441 1HB LEU 88 1HB LEU 88 -3.189 -2.812 1.313 442 2HB LEU 88 2HB LEU 88 -2.078 -3.471 2.470 443 HG LEU 88 HG LEU 88 -1.496 -3.214 -0.085 444 1HD1 LEU 88 1HD1 LEU 88 -0.847 -5.812 1.263 445 2HD1 LEU 88 2HD1 LEU 88 -0.024 -4.936 -0.050 446 3HD1 LEU 88 3HD1 LEU 88 -0.085 -4.215 1.593 447 1HD2 LEU 88 1HD2 LEU 88 -3.508 -4.923 -0.763 448 2HD2 LEU 88 2HD2 LEU 88 -1.946 -4.912 -1.602 449 3HD2 LEU 88 3HD2 LEU 88 -2.299 -6.117 -0.365 450 H ALA 89 H ALA 89 -4.090 -4.543 4.554 451 HA ALA 89 HA ALA 89 -2.588 -6.787 5.550 452 1HB ALA 89 1HB ALA 89 -4.984 -5.378 6.748 453 2HB ALA 89 2HB ALA 89 -4.005 -6.625 7.536 454 3HB ALA 89 3HB ALA 89 -3.259 -5.090 7.067 455 H GLU 90 H GLU 90 -6.123 -6.392 4.736 456 HA GLU 90 HA GLU 90 -6.575 -9.161 5.221 457 1HB GLU 90 1HB GLU 90 -8.746 -8.619 5.083 458 2HB GLU 90 2HB GLU 90 -8.168 -6.960 5.063 459 1HG GLU 90 1HG GLU 90 -8.178 -7.206 2.475 460 2HG GLU 90 2HG GLU 90 -9.073 -8.701 2.753 461 H LYS 91 H LYS 91 -4.941 -7.812 2.548 462 HA LYS 91 HA LYS 91 -6.106 -9.417 0.447 463 1HB LYS 91 1HB LYS 91 -4.994 -7.184 0.267 464 2HB LYS 91 2HB LYS 91 -3.450 -7.934 0.632 465 1HG LYS 91 1HG LYS 91 -5.238 -8.544 -1.786 466 2HG LYS 91 2HG LYS 91 -3.850 -7.449 -1.772 467 1HD LYS 91 1HD LYS 91 -2.743 -9.750 -0.715 468 2HD LYS 91 2HD LYS 91 -3.889 -10.440 -1.882 469 1HE LYS 91 1HE LYS 91 -1.825 -8.298 -2.437 470 2HE LYS 91 2HE LYS 91 -1.477 -10.040 -2.482 471 1HZ LYS 91 1HZ LYS 91 -3.446 -8.664 -4.213 472 2HZ LYS 91 2HZ LYS 91 -1.955 -9.170 -4.691 473 3HZ LYS 91 3HZ LYS 91 -3.090 -10.272 -4.246 474 H LYS 92 H LYS 92 -3.742 -9.893 2.927 475 HA LYS 92 HA LYS 92 -1.636 -11.018 1.576 476 1HB LYS 92 1HB LYS 92 -0.771 -11.435 3.666 477 2HB LYS 92 2HB LYS 92 -1.657 -9.906 3.593 478 1HG LYS 92 1HG LYS 92 -3.667 -11.358 4.561 479 2HG LYS 92 2HG LYS 92 -2.432 -12.533 4.985 480 1HD LYS 92 1HD LYS 92 -1.513 -11.107 6.672 481 2HD LYS 92 2HD LYS 92 -2.161 -9.665 5.915 482 1HE LYS 92 1HE LYS 92 -3.503 -9.976 7.827 483 2HE LYS 92 2HE LYS 92 -4.518 -10.401 6.447 484 1HZ LYS 92 1HZ LYS 92 -3.117 -12.311 8.183 485 2HZ LYS 92 2HZ LYS 92 -4.735 -11.999 8.166 486 3HZ LYS 92 3HZ LYS 92 -4.022 -12.707 6.859 487 HHA HEC 93 HHA HEC 93 8.547 -0.154 0.459 488 HHB HEC 93 HHB HEC 93 2.114 0.005 0.702 489 HHC HEC 93 HHC HEC 93 2.293 4.318 -4.070 490 HHD HEC 93 HHD HEC 93 8.540 3.257 -4.888 491 1HMA HEC 93 1HMA HEC 93 3.048 -1.917 1.968 492 2HMA HEC 93 2HMA HEC 93 4.488 -2.251 2.935 493 3HMA HEC 93 3HMA HEC 93 3.555 -0.772 3.236 494 1HAA HEC 93 1HAA HEC 93 6.734 -1.848 3.126 495 2HAA HEC 93 2HAA HEC 93 7.834 -0.617 2.627 496 1HBA HEC 93 1HBA HEC 93 8.024 -2.141 0.479 497 2HBA HEC 93 2HBA HEC 93 7.297 -3.377 1.494 498 1HMB HEC 93 1HMB HEC 93 -0.041 0.980 0.396 499 2HMB HEC 93 2HMB HEC 93 -0.920 1.294 -1.117 500 3HMB HEC 93 3HMB HEC 93 0.110 -0.125 -0.979 501 HAB HEC 93 HAB HEC 93 0.370 4.288 -3.307 502 1HBB HEC 93 1HBB HEC 93 -1.668 4.646 -2.024 503 2HBB HEC 93 2HBB HEC 93 -1.137 3.475 -0.805 504 3HBB HEC 93 3HBB HEC 93 -0.206 4.955 -1.069 505 1HMC HEC 93 1HMC HEC 93 3.304 6.149 -5.440 506 2HMC HEC 93 2HMC HEC 93 4.275 5.821 -6.884 507 3HMC HEC 93 3HMC HEC 93 2.995 4.705 -6.424 508 HAC HEC 93 HAC HEC 93 7.899 4.398 -6.514 509 1HBC HEC 93 1HBC HEC 93 7.509 6.597 -7.596 510 2HBC HEC 93 2HBC HEC 93 6.146 6.863 -6.488 511 3HBC HEC 93 3HBC HEC 93 7.780 6.626 -5.851 512 1HMD HEC 93 1HMD HEC 93 10.174 1.812 -4.980 513 2HMD HEC 93 2HMD HEC 93 11.217 2.645 -3.800 514 3HMD HEC 93 3HMD HEC 93 11.240 0.870 -3.949 515 1HAD HEC 93 1HAD HEC 93 10.885 -0.619 -1.201 516 2HAD HEC 93 2HAD HEC 93 10.457 0.353 0.067 517 1HBD HEC 93 1HBD HEC 93 12.554 1.009 0.033 518 2HBD HEC 93 2HBD HEC 93 11.661 2.333 -0.681 Start of MODEL 21 1 1H VAL 22 1H VAL 22 -14.343 4.397 0.070 2 2H VAL 22 2H VAL 22 -13.179 4.405 1.237 3 3H VAL 22 3H VAL 22 -13.930 5.848 0.804 4 HA VAL 22 HA VAL 22 -13.122 5.482 -1.432 5 HB VAL 22 HB VAL 22 -10.763 5.393 0.500 6 1HG1 VAL 22 1HG1 VAL 22 -9.713 6.758 -1.280 7 2HG1 VAL 22 2HG1 VAL 22 -10.281 5.219 -1.941 8 3HG1 VAL 22 3HG1 VAL 22 -11.207 6.703 -2.232 9 1HG2 VAL 22 1HG2 VAL 22 -12.257 7.134 1.358 10 2HG2 VAL 22 2HG2 VAL 22 -10.919 7.892 0.493 11 3HG2 VAL 22 3HG2 VAL 22 -12.509 7.774 -0.286 12 H ASP 23 H ASP 23 -12.836 3.853 -2.707 13 HA ASP 23 HA ASP 23 -12.725 1.144 -1.855 14 1HB ASP 23 1HB ASP 23 -13.844 1.751 -3.901 15 2HB ASP 23 2HB ASP 23 -12.357 2.396 -4.599 16 H ALA 24 H ALA 24 -11.024 0.384 -0.870 17 HA ALA 24 HA ALA 24 -8.442 1.363 -0.902 18 1HB ALA 24 1HB ALA 24 -9.299 -1.528 -0.440 19 2HB ALA 24 2HB ALA 24 -7.823 -0.722 0.149 20 3HB ALA 24 3HB ALA 24 -9.417 -0.265 0.789 21 H GLU 25 H GLU 25 -9.942 -1.099 -3.086 22 HA GLU 25 HA GLU 25 -7.265 -1.971 -3.928 23 1HB GLU 25 1HB GLU 25 -8.140 -3.734 -4.905 24 2HB GLU 25 2HB GLU 25 -9.485 -3.429 -3.802 25 1HG GLU 25 1HG GLU 25 -10.717 -2.336 -5.622 26 2HG GLU 25 2HG GLU 25 -9.333 -2.559 -6.734 27 H ALA 26 H ALA 26 -10.026 0.024 -5.081 28 HA ALA 26 HA ALA 26 -8.940 0.806 -7.559 29 1HB ALA 26 1HB ALA 26 -11.184 1.480 -6.773 30 2HB ALA 26 2HB ALA 26 -10.418 2.659 -5.672 31 3HB ALA 26 3HB ALA 26 -10.233 2.829 -7.423 32 H VAL 27 H VAL 27 -8.345 2.348 -4.352 33 HA VAL 27 HA VAL 27 -6.253 4.187 -5.165 34 HB VAL 27 HB VAL 27 -6.578 2.639 -2.547 35 1HG1 VAL 27 1HG1 VAL 27 -5.195 5.284 -2.991 36 2HG1 VAL 27 2HG1 VAL 27 -5.237 4.359 -1.524 37 3HG1 VAL 27 3HG1 VAL 27 -4.291 3.744 -2.893 38 1HG2 VAL 27 1HG2 VAL 27 -7.653 4.686 -1.705 39 2HG2 VAL 27 2HG2 VAL 27 -7.492 5.459 -3.296 40 3HG2 VAL 27 3HG2 VAL 27 -8.569 4.081 -3.088 41 H VAL 28 H VAL 28 -5.813 0.700 -3.995 42 HA VAL 28 HA VAL 28 -3.061 1.084 -4.729 43 HB VAL 28 HB VAL 28 -4.484 -1.444 -3.903 44 1HG1 VAL 28 1HG1 VAL 28 -2.453 -2.081 -4.865 45 2HG1 VAL 28 2HG1 VAL 28 -1.561 -0.699 -4.268 46 3HG1 VAL 28 3HG1 VAL 28 -1.991 -1.977 -3.173 47 1HG2 VAL 28 1HG2 VAL 28 -3.310 0.938 -2.446 48 2HG2 VAL 28 2HG2 VAL 28 -4.733 -0.063 -2.065 49 3HG2 VAL 28 3HG2 VAL 28 -3.100 -0.654 -1.759 50 H GLN 29 H GLN 29 -5.692 0.341 -6.656 51 HA GLN 29 HA GLN 29 -4.116 -0.874 -8.823 52 1HB GLN 29 1HB GLN 29 -7.050 -0.238 -8.387 53 2HB GLN 29 2HB GLN 29 -6.454 -0.852 -9.910 54 1HG GLN 29 1HG GLN 29 -5.900 -2.355 -7.325 55 2HG GLN 29 2HG GLN 29 -7.394 -2.539 -8.243 56 1HE2 GLN 29 1HE2 GLN 29 -3.871 -3.167 -8.302 57 2HE2 GLN 29 2HE2 GLN 29 -3.960 -4.248 -9.658 58 H GLN 30 H GLN 30 -4.611 2.289 -7.670 59 HA GLN 30 HA GLN 30 -3.702 3.294 -10.323 60 1HB GLN 30 1HB GLN 30 -6.339 3.639 -9.278 61 2HB GLN 30 2HB GLN 30 -5.543 5.194 -9.080 62 1HG GLN 30 1HG GLN 30 -4.976 5.311 -11.435 63 2HG GLN 30 2HG GLN 30 -5.423 3.615 -11.691 64 1HE2 GLN 30 1HE2 GLN 30 -7.216 6.285 -10.020 65 2HE2 GLN 30 2HE2 GLN 30 -8.630 6.113 -11.049 66 H LYS 31 H LYS 31 -3.090 3.341 -7.022 67 HA LYS 31 HA LYS 31 -1.572 5.912 -7.197 68 1HB LYS 31 1HB LYS 31 -2.629 4.225 -4.883 69 2HB LYS 31 2HB LYS 31 -1.653 5.639 -4.670 70 1HG LYS 31 1HG LYS 31 -4.367 5.675 -6.014 71 2HG LYS 31 2HG LYS 31 -3.936 6.113 -4.352 72 1HD LYS 31 1HD LYS 31 -2.334 7.830 -5.243 73 2HD LYS 31 2HD LYS 31 -3.097 7.608 -6.841 74 1HE LYS 31 1HE LYS 31 -5.268 8.279 -5.970 75 2HE LYS 31 2HE LYS 31 -4.703 8.148 -4.296 76 1HZ LYS 31 1HZ LYS 31 -3.294 9.973 -4.579 77 2HZ LYS 31 2HZ LYS 31 -3.777 10.192 -6.155 78 3HZ LYS 31 3HZ LYS 31 -4.851 10.368 -4.905 79 H CYS 32 H CYS 32 -1.357 2.526 -6.068 80 HA CYS 32 HA CYS 32 1.480 2.861 -5.500 81 1HB CYS 32 1HB CYS 32 -0.031 0.303 -5.315 82 2HB CYS 32 2HB CYS 32 1.292 0.848 -4.297 83 H ILE 33 H ILE 33 -0.528 1.084 -7.833 84 HA ILE 33 HA ILE 33 1.283 -0.600 -8.982 85 HB ILE 33 HB ILE 33 0.047 -0.557 -11.003 86 1HG1 ILE 33 1HG1 ILE 33 -1.518 1.904 -10.132 87 2HG1 ILE 33 2HG1 ILE 33 -0.203 1.961 -11.313 88 1HG2 ILE 33 1HG2 ILE 33 -2.002 0.041 -8.912 89 2HG2 ILE 33 2HG2 ILE 33 -2.070 -1.226 -10.133 90 3HG2 ILE 33 3HG2 ILE 33 -0.969 -1.402 -8.758 91 1HD1 ILE 33 1HD1 ILE 33 -2.654 0.225 -11.701 92 2HD1 ILE 33 2HD1 ILE 33 -2.371 1.815 -12.425 93 3HD1 ILE 33 3HD1 ILE 33 -1.299 0.454 -12.816 94 H SER 34 H SER 34 1.040 2.885 -9.492 95 HA SER 34 HA SER 34 2.590 3.567 -11.504 96 1HB SER 34 1HB SER 34 2.987 4.789 -8.763 97 2HB SER 34 2HB SER 34 2.849 5.607 -10.331 98 HG SER 34 HG SER 34 0.928 5.177 -8.617 99 H CYS 35 H CYS 35 3.809 2.169 -8.451 100 HA CYS 35 HA CYS 35 6.472 1.879 -9.749 101 1HB CYS 35 1HB CYS 35 6.282 2.199 -6.750 102 2HB CYS 35 2HB CYS 35 7.665 2.364 -7.806 103 H HIS 36 H HIS 36 4.133 0.534 -7.354 104 HA HIS 36 HA HIS 36 5.638 -1.922 -7.082 105 1HB HIS 36 1HB HIS 36 2.893 -1.068 -6.154 106 2HB HIS 36 2HB HIS 36 3.600 -2.650 -5.808 107 HD1 HIS 36 1HD HIS 36 5.715 -2.729 -4.096 108 HD2 HIS 36 2HD HIS 36 3.794 0.991 -4.657 109 HE1 HIS 36 1HE HIS 36 6.389 -1.243 -2.144 110 H GLY 37 H GLY 37 3.647 -0.915 -9.663 111 1HA GLY 37 1HA GLY 37 4.073 -2.192 -11.583 112 2HA GLY 37 2HA GLY 37 3.846 -3.704 -10.713 113 H GLY 38 H GLY 38 1.567 -3.889 -9.729 114 1HA GLY 38 1HA GLY 38 -0.732 -2.789 -11.076 115 2HA GLY 38 2HA GLY 38 -0.199 -4.251 -11.904 116 H ASP 39 H ASP 39 -0.021 -6.229 -10.672 117 HA ASP 39 HA ASP 39 -1.945 -6.598 -8.530 118 1HB ASP 39 1HB ASP 39 -0.351 -8.357 -10.312 119 2HB ASP 39 2HB ASP 39 -0.528 -8.959 -8.660 120 H LEU 40 H LEU 40 0.786 -5.004 -8.307 121 HA LEU 40 HA LEU 40 2.194 -4.395 -6.625 122 1HB LEU 40 1HB LEU 40 0.403 -5.930 -4.736 123 2HB LEU 40 2HB LEU 40 1.551 -4.639 -4.424 124 HG LEU 40 HG LEU 40 -0.407 -3.482 -4.324 125 1HD1 LEU 40 1HD1 LEU 40 1.012 -2.388 -5.991 126 2HD1 LEU 40 2HD1 LEU 40 0.130 -3.198 -7.299 127 3HD1 LEU 40 3HD1 LEU 40 -0.697 -2.058 -6.251 128 1HD2 LEU 40 1HD2 LEU 40 -1.625 -5.324 -6.365 129 2HD2 LEU 40 2HD2 LEU 40 -1.931 -5.155 -4.651 130 3HD2 LEU 40 3HD2 LEU 40 -2.405 -3.891 -5.816 131 H THR 41 H THR 41 2.539 -6.907 -8.114 132 HA THR 41 HA THR 41 4.020 -8.721 -6.462 133 HB THR 41 HB THR 41 4.741 -9.663 -8.604 134 HG1 THR 41 1HG THR 41 3.317 -7.544 -9.861 135 1HG2 THR 41 1HG2 THR 41 2.425 -10.155 -7.724 136 2HG2 THR 41 2HG2 THR 41 1.794 -8.864 -8.762 137 3HG2 THR 41 3HG2 THR 41 2.560 -10.282 -9.491 138 H GLY 42 H GLY 42 4.750 -5.544 -7.741 139 1HA GLY 42 1HA GLY 42 6.477 -4.346 -6.816 140 2HA GLY 42 2HA GLY 42 7.435 -5.801 -6.532 141 H ALA 43 H ALA 43 6.756 -3.252 -8.788 142 HA ALA 43 HA ALA 43 8.511 -4.480 -10.877 143 1HB ALA 43 1HB ALA 43 7.679 -2.637 -12.306 144 2HB ALA 43 2HB ALA 43 6.404 -3.730 -11.734 145 3HB ALA 43 3HB ALA 43 6.586 -2.130 -11.001 146 H SER 44 H SER 44 8.042 -1.066 -9.943 147 HA SER 44 HA SER 44 10.962 -0.629 -9.871 148 1HB SER 44 1HB SER 44 8.668 1.332 -9.603 149 2HB SER 44 2HB SER 44 10.367 1.714 -9.908 150 HG SER 44 HG SER 44 9.017 1.676 -11.826 151 H ALA 45 H ALA 45 8.836 -1.801 -7.684 152 HA ALA 45 HA ALA 45 10.101 -0.681 -5.263 153 1HB ALA 45 1HB ALA 45 7.112 -0.693 -5.871 154 2HB ALA 45 2HB ALA 45 7.867 -0.260 -4.326 155 3HB ALA 45 3HB ALA 45 8.121 0.751 -5.762 156 HA PRO 46 HA PRO 46 9.854 -5.003 -4.509 157 1HB PRO 46 1HB PRO 46 9.483 -5.260 -1.786 158 2HB PRO 46 2HB PRO 46 11.004 -4.685 -2.530 159 1HG PRO 46 1HG PRO 46 8.729 -3.016 -1.446 160 2HG PRO 46 2HG PRO 46 10.473 -2.865 -1.069 161 1HD PRO 46 1HD PRO 46 9.274 -1.291 -2.927 162 2HD PRO 46 2HD PRO 46 10.913 -1.932 -3.240 163 H ALA 47 H ALA 47 8.460 -6.795 -3.765 164 HA ALA 47 HA ALA 47 5.798 -6.478 -4.646 165 1HB ALA 47 1HB ALA 47 6.954 -8.690 -2.879 166 2HB ALA 47 2HB ALA 47 5.519 -8.796 -3.920 167 3HB ALA 47 3HB ALA 47 7.134 -8.626 -4.638 168 H ILE 48 H ILE 48 4.032 -5.699 -3.575 169 HA ILE 48 HA ILE 48 4.003 -5.970 -0.626 170 HB ILE 48 HB ILE 48 2.556 -3.964 -0.398 171 1HG1 ILE 48 1HG1 ILE 48 3.278 -2.119 -2.172 172 2HG1 ILE 48 2HG1 ILE 48 3.338 -3.484 -3.266 173 1HG2 ILE 48 1HG2 ILE 48 4.289 -2.466 -0.249 174 2HG2 ILE 48 2HG2 ILE 48 4.806 -4.056 0.331 175 3HG2 ILE 48 3HG2 ILE 48 5.359 -3.474 -1.286 176 1HD1 ILE 48 1HD1 ILE 48 1.062 -2.509 -1.437 177 2HD1 ILE 48 2HD1 ILE 48 1.123 -2.294 -3.193 178 3HD1 ILE 48 3HD1 ILE 48 0.898 -3.924 -2.478 179 H ASP 49 H ASP 49 2.566 -7.050 -3.421 180 HA ASP 49 HA ASP 49 -0.124 -7.342 -2.810 181 1HB ASP 49 1HB ASP 49 -0.029 -9.377 -4.042 182 2HB ASP 49 2HB ASP 49 1.177 -8.319 -4.772 183 H LYS 50 H LYS 50 2.617 -9.133 -1.468 184 HA LYS 50 HA LYS 50 0.855 -10.628 0.353 185 1HB LYS 50 1HB LYS 50 2.448 -12.236 0.326 186 2HB LYS 50 2HB LYS 50 2.811 -11.441 -1.180 187 1HG LYS 50 1HG LYS 50 4.924 -11.633 -0.368 188 2HG LYS 50 2HG LYS 50 4.541 -10.026 0.239 189 1HD LYS 50 1HD LYS 50 4.863 -10.763 2.373 190 2HD LYS 50 2HD LYS 50 3.562 -11.935 2.163 191 1HE LYS 50 1HE LYS 50 5.184 -13.539 1.116 192 2HE LYS 50 2HE LYS 50 6.490 -12.433 1.594 193 1HZ LYS 50 1HZ LYS 50 5.737 -12.673 3.877 194 2HZ LYS 50 2HZ LYS 50 4.558 -13.726 3.418 195 3HZ LYS 50 3HZ LYS 50 6.142 -14.138 3.243 196 H ALA 51 H ALA 51 2.042 -7.599 0.619 197 HA ALA 51 HA ALA 51 3.801 -7.523 2.746 198 1HB ALA 51 1HB ALA 51 3.195 -5.642 1.283 199 2HB ALA 51 2HB ALA 51 1.659 -5.458 2.148 200 3HB ALA 51 3HB ALA 51 3.203 -5.195 2.994 201 H GLY 52 H GLY 52 0.205 -7.577 2.923 202 1HA GLY 52 1HA GLY 52 -0.216 -7.120 5.615 203 2HA GLY 52 2HA GLY 52 -1.162 -8.229 4.603 204 H ALA 53 H ALA 53 1.282 -9.988 4.192 205 HA ALA 53 HA ALA 53 0.893 -11.658 6.574 206 1HB ALA 53 1HB ALA 53 2.099 -13.320 5.353 207 2HB ALA 53 2HB ALA 53 1.002 -12.546 4.193 208 3HB ALA 53 3HB ALA 53 2.724 -12.119 4.209 209 H ASN 54 H ASN 54 3.282 -9.387 5.325 210 HA ASN 54 HA ASN 54 5.462 -10.398 7.098 211 1HB ASN 54 1HB ASN 54 5.355 -8.234 4.950 212 2HB ASN 54 2HB ASN 54 6.744 -8.522 6.004 213 1HD2 ASN 54 1HD2 ASN 54 7.463 -8.635 3.536 214 2HD2 ASN 54 2HD2 ASN 54 7.659 -10.273 2.960 215 H TYR 55 H TYR 55 3.361 -7.589 6.532 216 HA TYR 55 HA TYR 55 4.281 -6.277 9.047 217 1HB TYR 55 1HB TYR 55 3.485 -4.909 6.459 218 2HB TYR 55 2HB TYR 55 4.185 -4.164 7.891 219 HD1 TYR 55 1HD TYR 55 4.915 -4.769 4.639 220 HD2 TYR 55 2HD TYR 55 6.597 -5.481 8.545 221 HE1 TYR 55 1HE TYR 55 7.187 -4.732 3.665 222 HE2 TYR 55 2HE TYR 55 8.871 -5.465 7.556 223 HH TYR 55 HH TYR 55 9.472 -4.610 4.150 224 H SER 56 H SER 56 2.583 -5.100 10.104 225 HA SER 56 HA SER 56 -0.107 -6.142 9.509 226 1HB SER 56 1HB SER 56 0.937 -4.453 11.822 227 2HB SER 56 2HB SER 56 -0.648 -5.240 11.727 228 HG SER 56 HG SER 56 0.646 -7.242 11.373 229 H GLU 57 H GLU 57 -1.970 -4.702 9.581 230 HA GLU 57 HA GLU 57 -2.086 -2.703 7.707 231 1HB GLU 57 1HB GLU 57 -4.165 -3.441 8.314 232 2HB GLU 57 2HB GLU 57 -3.791 -3.538 10.026 233 1HG GLU 57 1HG GLU 57 -4.146 -1.175 10.325 234 2HG GLU 57 2HG GLU 57 -4.243 -0.910 8.576 235 H GLU 58 H GLU 58 -1.609 -2.112 11.241 236 HA GLU 58 HA GLU 58 -1.233 0.622 11.183 237 1HB GLU 58 1HB GLU 58 0.309 0.248 13.160 238 2HB GLU 58 2HB GLU 58 -1.327 -0.394 13.277 239 1HG GLU 58 1HG GLU 58 -0.501 -2.686 12.789 240 2HG GLU 58 2HG GLU 58 1.156 -2.056 12.673 241 H GLU 59 H GLU 59 1.423 -1.762 10.686 242 HA GLU 59 HA GLU 59 3.507 0.126 10.313 243 1HB GLU 59 1HB GLU 59 3.093 -2.672 9.184 244 2HB GLU 59 2HB GLU 59 4.625 -1.799 9.115 245 1HG GLU 59 1HG GLU 59 3.355 -2.196 11.834 246 2HG GLU 59 2HG GLU 59 4.113 -3.575 11.027 247 H ILE 60 H ILE 60 1.332 -1.488 7.998 248 HA ILE 60 HA ILE 60 2.638 -0.438 5.651 249 HB ILE 60 HB ILE 60 -0.169 -1.516 5.972 250 1HG1 ILE 60 1HG1 ILE 60 2.312 -2.957 4.953 251 2HG1 ILE 60 2HG1 ILE 60 1.758 -3.074 6.620 252 1HG2 ILE 60 1HG2 ILE 60 1.035 -0.266 3.688 253 2HG2 ILE 60 2HG2 ILE 60 0.977 -1.987 3.338 254 3HG2 ILE 60 3HG2 ILE 60 -0.506 -1.137 3.781 255 1HD1 ILE 60 1HD1 ILE 60 -0.399 -4.004 5.894 256 2HD1 ILE 60 2HD1 ILE 60 0.176 -3.975 4.209 257 3HD1 ILE 60 3HD1 ILE 60 0.992 -4.993 5.405 258 H LEU 61 H LEU 61 -0.260 0.522 7.500 259 HA LEU 61 HA LEU 61 -1.121 2.768 6.080 260 1HB LEU 61 1HB LEU 61 -2.264 1.722 7.974 261 2HB LEU 61 2HB LEU 61 -1.046 2.291 9.093 262 HG LEU 61 HG LEU 61 -1.664 4.600 8.778 263 1HD1 LEU 61 1HD1 LEU 61 -3.488 3.526 6.619 264 2HD1 LEU 61 2HD1 LEU 61 -3.679 5.149 7.319 265 3HD1 LEU 61 3HD1 LEU 61 -2.195 4.738 6.449 266 1HD2 LEU 61 1HD2 LEU 61 -3.982 4.507 9.629 267 2HD2 LEU 61 2HD2 LEU 61 -4.145 2.837 9.047 268 3HD2 LEU 61 3HD2 LEU 61 -3.005 3.217 10.356 269 H ASP 62 H ASP 62 1.227 2.593 8.807 270 HA ASP 62 HA ASP 62 1.833 5.368 8.685 271 1HB ASP 62 1HB ASP 62 2.662 3.216 10.325 272 2HB ASP 62 2HB ASP 62 4.144 3.834 9.594 273 H ILE 63 H ILE 63 3.271 2.559 7.000 274 HA ILE 63 HA ILE 63 5.405 4.091 5.789 275 HB ILE 63 HB ILE 63 4.154 1.394 5.280 276 1HG1 ILE 63 1HG1 ILE 63 7.022 2.291 5.814 277 2HG1 ILE 63 2HG1 ILE 63 5.859 1.881 7.083 278 1HG2 ILE 63 1HG2 ILE 63 5.844 1.046 3.467 279 2HG2 ILE 63 2HG2 ILE 63 4.496 2.078 3.022 280 3HG2 ILE 63 3HG2 ILE 63 6.091 2.794 3.399 281 1HD1 ILE 63 1HD1 ILE 63 7.230 -0.036 6.735 282 2HD1 ILE 63 2HD1 ILE 63 5.628 -0.415 6.072 283 3HD1 ILE 63 3HD1 ILE 63 6.987 -0.015 4.990 284 H ILE 64 H ILE 64 2.059 3.427 4.695 285 HA ILE 64 HA ILE 64 2.345 4.634 2.109 286 HB ILE 64 HB ILE 64 -0.037 4.302 3.956 287 1HG1 ILE 64 1HG1 ILE 64 0.497 2.794 1.395 288 2HG1 ILE 64 2HG1 ILE 64 1.362 2.300 2.848 289 1HG2 ILE 64 1HG2 ILE 64 -0.603 6.096 2.421 290 2HG2 ILE 64 2HG2 ILE 64 0.070 5.197 1.046 291 3HG2 ILE 64 3HG2 ILE 64 -1.401 4.623 1.859 292 1HD1 ILE 64 1HD1 ILE 64 -0.736 2.010 4.083 293 2HD1 ILE 64 2HD1 ILE 64 -1.663 2.506 2.672 294 3HD1 ILE 64 3HD1 ILE 64 -0.677 1.014 2.640 295 H LEU 65 H LEU 65 1.355 5.945 5.277 296 HA LEU 65 HA LEU 65 0.977 8.629 4.334 297 1HB LEU 65 1HB LEU 65 1.507 7.476 7.081 298 2HB LEU 65 2HB LEU 65 1.034 9.152 6.784 299 HG LEU 65 HG LEU 65 -0.765 6.851 5.820 300 1HD1 LEU 65 1HD1 LEU 65 -0.334 6.529 8.237 301 2HD1 LEU 65 2HD1 LEU 65 -0.770 8.219 8.546 302 3HD1 LEU 65 3HD1 LEU 65 -1.989 7.081 7.931 303 1HD2 LEU 65 1HD2 LEU 65 -2.482 8.558 6.035 304 2HD2 LEU 65 2HD2 LEU 65 -1.292 9.750 6.592 305 3HD2 LEU 65 3HD2 LEU 65 -1.201 9.112 4.936 306 H ASN 66 H ASN 66 3.811 6.947 5.681 307 HA ASN 66 HA ASN 66 5.369 9.428 5.972 308 1HB ASN 66 1HB ASN 66 5.878 6.511 6.683 309 2HB ASN 66 2HB ASN 66 7.128 7.723 6.774 310 1HD2 ASN 66 1HD2 ASN 66 3.853 7.063 7.944 311 2HD2 ASN 66 2HD2 ASN 66 4.233 7.413 9.595 312 H GLY 67 H GLY 67 5.716 6.318 4.202 313 1HA GLY 67 1HA GLY 67 6.606 6.404 1.906 314 2HA GLY 67 2HA GLY 67 7.880 7.479 2.502 315 H GLN 68 H GLN 68 9.158 5.744 1.521 316 HA GLN 68 HA GLN 68 10.506 4.326 3.529 317 1HB GLN 68 1HB GLN 68 8.781 2.300 2.848 318 2HB GLN 68 2HB GLN 68 9.563 2.430 1.316 319 1HG GLN 68 1HG GLN 68 11.365 1.268 2.064 320 2HG GLN 68 2HG GLN 68 11.658 2.430 3.331 321 1HE2 GLN 68 1HE2 GLN 68 10.567 -0.843 2.707 322 2HE2 GLN 68 2HE2 GLN 68 10.216 -1.148 4.378 323 H GLY 69 H GLY 69 12.572 5.041 2.781 324 1HA GLY 69 1HA GLY 69 14.275 5.562 1.321 325 2HA GLY 69 2HA GLY 69 13.819 4.040 0.548 326 H GLY 70 H GLY 70 13.123 4.146 -1.607 327 1HA GLY 70 1HA GLY 70 13.178 6.630 -3.031 328 2HA GLY 70 2HA GLY 70 12.645 5.050 -3.621 329 H MET 71 H MET 71 10.602 4.910 -1.371 330 HA MET 71 HA MET 71 8.394 5.939 -2.875 331 1HB MET 71 1HB MET 71 8.471 3.866 -1.512 332 2HB MET 71 2HB MET 71 8.498 4.789 -0.074 333 1HG MET 71 1HG MET 71 6.370 5.733 -0.410 334 2HG MET 71 2HG MET 71 6.184 5.011 -2.005 335 1HE MET 71 1HE MET 71 3.799 3.282 0.828 336 2HE MET 71 2HE MET 71 4.547 4.878 1.059 337 3HE MET 71 3HE MET 71 3.808 4.460 -0.505 338 HA PRO 72 HA PRO 72 8.913 9.956 -0.874 339 1HB PRO 72 1HB PRO 72 6.766 11.311 -1.936 340 2HB PRO 72 2HB PRO 72 8.229 10.891 -2.875 341 1HG PRO 72 1HG PRO 72 5.619 9.359 -2.751 342 2HG PRO 72 2HG PRO 72 6.518 9.864 -4.212 343 1HD PRO 72 1HD PRO 72 6.801 7.377 -3.226 344 2HD PRO 72 2HD PRO 72 8.245 8.269 -3.806 345 H GLY 73 H GLY 73 5.809 8.251 -0.731 346 1HA GLY 73 1HA GLY 73 4.532 7.835 1.191 347 2HA GLY 73 2HA GLY 73 5.450 9.055 2.086 348 H GLY 74 H GLY 74 2.737 8.954 2.261 349 1HA GLY 74 1HA GLY 74 0.978 10.439 2.371 350 2HA GLY 74 2HA GLY 74 2.010 11.690 1.659 351 H ILE 75 H ILE 75 1.889 8.823 -0.171 352 HA ILE 75 HA ILE 75 0.701 9.903 -2.505 353 HB ILE 75 HB ILE 75 1.337 7.131 -1.448 354 1HG1 ILE 75 1HG1 ILE 75 2.527 8.311 -3.933 355 2HG1 ILE 75 2HG1 ILE 75 2.997 9.079 -2.413 356 1HG2 ILE 75 1HG2 ILE 75 0.138 7.775 -4.167 357 2HG2 ILE 75 2HG2 ILE 75 0.974 6.260 -3.776 358 3HG2 ILE 75 3HG2 ILE 75 -0.509 6.682 -2.917 359 1HD1 ILE 75 1HD1 ILE 75 3.166 6.084 -2.790 360 2HD1 ILE 75 2HD1 ILE 75 4.505 7.178 -3.163 361 3HD1 ILE 75 3HD1 ILE 75 3.882 7.060 -1.500 362 H ALA 76 H ALA 76 -0.637 8.239 0.312 363 HA ALA 76 HA ALA 76 -3.319 8.932 -0.571 364 1HB ALA 76 1HB ALA 76 -4.096 6.681 0.416 365 2HB ALA 76 2HB ALA 76 -3.265 6.570 -1.153 366 3HB ALA 76 3HB ALA 76 -2.410 6.164 0.349 367 H LYS 77 H LYS 77 -4.614 9.510 1.326 368 HA LYS 77 HA LYS 77 -3.332 9.089 3.950 369 1HB LYS 77 1HB LYS 77 -3.910 11.683 4.300 370 2HB LYS 77 2HB LYS 77 -2.325 11.066 3.811 371 1HG LYS 77 1HG LYS 77 -2.801 11.553 1.462 372 2HG LYS 77 2HG LYS 77 -4.433 12.122 1.901 373 1HD LYS 77 1HD LYS 77 -3.419 13.964 3.225 374 2HD LYS 77 2HD LYS 77 -1.817 13.245 3.043 375 1HE LYS 77 1HE LYS 77 -2.014 15.145 1.539 376 2HE LYS 77 2HE LYS 77 -1.806 13.640 0.632 377 1HZ LYS 77 1HZ LYS 77 -3.504 15.028 -0.321 378 2HZ LYS 77 2HZ LYS 77 -4.173 13.628 0.223 379 3HZ LYS 77 3HZ LYS 77 -4.374 15.024 1.076 380 H GLY 78 H GLY 78 -4.558 9.519 5.807 381 1HA GLY 78 1HA GLY 78 -6.430 9.171 7.071 382 2HA GLY 78 2HA GLY 78 -7.313 10.132 5.868 383 H ALA 79 H ALA 79 -9.135 8.890 5.637 384 HA ALA 79 HA ALA 79 -9.596 6.227 5.678 385 1HB ALA 79 1HB ALA 79 -10.819 8.211 3.725 386 2HB ALA 79 2HB ALA 79 -11.493 6.627 4.170 387 3HB ALA 79 3HB ALA 79 -11.347 7.899 5.398 388 H GLU 80 H GLU 80 -8.130 7.991 2.982 389 HA GLU 80 HA GLU 80 -8.207 6.005 0.961 390 1HB GLU 80 1HB GLU 80 -7.527 8.572 1.044 391 2HB GLU 80 2HB GLU 80 -5.936 7.928 1.423 392 1HG GLU 80 1HG GLU 80 -5.964 6.773 -0.817 393 2HG GLU 80 2HG GLU 80 -7.530 7.524 -1.127 394 H ALA 81 H ALA 81 -5.583 6.796 3.389 395 HA ALA 81 HA ALA 81 -3.972 4.561 2.527 396 1HB ALA 81 1HB ALA 81 -3.716 6.371 4.957 397 2HB ALA 81 2HB ALA 81 -2.475 5.279 4.286 398 3HB ALA 81 3HB ALA 81 -3.015 6.675 3.352 399 H GLU 82 H GLU 82 -6.281 5.212 5.198 400 HA GLU 82 HA GLU 82 -5.762 2.842 6.728 401 1HB GLU 82 1HB GLU 82 -8.248 4.536 6.298 402 2HB GLU 82 2HB GLU 82 -8.213 3.152 7.392 403 1HG GLU 82 1HG GLU 82 -6.485 4.140 8.750 404 2HG GLU 82 2HG GLU 82 -6.282 5.498 7.627 405 H ALA 83 H ALA 83 -8.149 3.487 4.123 406 HA ALA 83 HA ALA 83 -9.239 0.914 3.933 407 1HB ALA 83 1HB ALA 83 -8.799 2.927 1.680 408 2HB ALA 83 2HB ALA 83 -9.971 1.596 1.694 409 3HB ALA 83 3HB ALA 83 -10.159 2.922 2.827 410 H VAL 84 H VAL 84 -6.457 2.321 2.094 411 HA VAL 84 HA VAL 84 -5.569 0.007 0.772 412 HB VAL 84 HB VAL 84 -3.925 2.221 2.085 413 1HG1 VAL 84 1HG1 VAL 84 -3.052 0.111 0.148 414 2HG1 VAL 84 2HG1 VAL 84 -2.077 1.463 0.711 415 3HG1 VAL 84 3HG1 VAL 84 -2.518 0.167 1.829 416 1HG2 VAL 84 1HG2 VAL 84 -4.839 1.712 -0.755 417 2HG2 VAL 84 2HG2 VAL 84 -5.122 3.132 0.256 418 3HG2 VAL 84 3HG2 VAL 84 -3.487 2.787 -0.342 419 H ALA 85 H ALA 85 -4.485 1.082 4.037 420 HA ALA 85 HA ALA 85 -2.722 -1.031 4.532 421 1HB ALA 85 1HB ALA 85 -2.844 1.070 5.780 422 2HB ALA 85 2HB ALA 85 -4.371 0.558 6.537 423 3HB ALA 85 3HB ALA 85 -2.874 -0.353 6.835 424 H ALA 86 H ALA 86 -6.189 -0.797 5.541 425 HA ALA 86 HA ALA 86 -6.316 -3.363 6.768 426 1HB ALA 86 1HB ALA 86 -8.754 -3.136 6.467 427 2HB ALA 86 2HB ALA 86 -8.027 -1.632 7.066 428 3HB ALA 86 3HB ALA 86 -8.500 -1.766 5.360 429 H TRP 87 H TRP 87 -7.200 -2.346 3.436 430 HA TRP 87 HA TRP 87 -7.962 -4.907 2.470 431 1HB TRP 87 1HB TRP 87 -8.664 -2.920 1.407 432 2HB TRP 87 2HB TRP 87 -7.003 -2.363 1.246 433 HD1 TRP 87 HD TRP 87 -9.425 -4.584 -0.741 434 HE1 TRP 87 1HE TRP 87 -8.221 -5.398 -2.827 435 HE3 TRP 87 3HE TRP 87 -4.890 -2.465 0.142 436 HZ2 TRP 87 2HZ TRP 87 -5.233 -5.349 -3.778 437 HZ3 TRP 87 3HZ TRP 87 -3.065 -2.724 -1.530 438 HH2 TRP 87 HH TRP 87 -3.376 -3.975 -3.559 439 H LEU 88 H LEU 88 -4.795 -3.370 2.679 440 HA LEU 88 HA LEU 88 -3.415 -5.524 1.252 441 1HB LEU 88 1HB LEU 88 -2.550 -3.038 2.598 442 2HB LEU 88 2HB LEU 88 -1.428 -4.385 2.741 443 HG LEU 88 HG LEU 88 -2.392 -4.205 -0.010 444 1HD1 LEU 88 1HD1 LEU 88 -2.633 -1.932 0.411 445 2HD1 LEU 88 2HD1 LEU 88 -0.972 -1.780 1.062 446 3HD1 LEU 88 3HD1 LEU 88 -1.244 -2.221 -0.657 447 1HD2 LEU 88 1HD2 LEU 88 -0.578 -5.568 0.734 448 2HD2 LEU 88 2HD2 LEU 88 -0.496 -4.618 -0.756 449 3HD2 LEU 88 3HD2 LEU 88 0.400 -4.056 0.713 450 H ALA 89 H ALA 89 -3.993 -4.719 4.688 451 HA ALA 89 HA ALA 89 -2.452 -6.788 5.811 452 1HB ALA 89 1HB ALA 89 -3.307 -4.977 7.097 453 2HB ALA 89 2HB ALA 89 -4.990 -5.536 6.889 454 3HB ALA 89 3HB ALA 89 -3.826 -6.520 7.802 455 H GLU 90 H GLU 90 -5.842 -6.823 4.627 456 HA GLU 90 HA GLU 90 -6.198 -9.597 5.414 457 1HB GLU 90 1HB GLU 90 -8.409 -9.338 4.699 458 2HB GLU 90 2HB GLU 90 -7.877 -7.794 5.414 459 1HG GLU 90 1HG GLU 90 -8.972 -7.046 3.533 460 2HG GLU 90 2HG GLU 90 -7.310 -7.160 2.942 461 H LYS 91 H LYS 91 -4.684 -8.148 2.760 462 HA LYS 91 HA LYS 91 -5.223 -9.906 0.654 463 1HB LYS 91 1HB LYS 91 -4.079 -7.473 0.991 464 2HB LYS 91 2HB LYS 91 -2.673 -8.369 0.491 465 1HG LYS 91 1HG LYS 91 -5.380 -8.224 -0.979 466 2HG LYS 91 2HG LYS 91 -4.079 -7.057 -1.180 467 1HD LYS 91 1HD LYS 91 -3.800 -8.485 -2.998 468 2HD LYS 91 2HD LYS 91 -2.529 -8.903 -1.851 469 1HE LYS 91 1HE LYS 91 -4.009 -10.834 -1.048 470 2HE LYS 91 2HE LYS 91 -5.131 -10.421 -2.323 471 1HZ LYS 91 1HZ LYS 91 -3.301 -10.803 -3.906 472 2HZ LYS 91 2HZ LYS 91 -2.309 -11.222 -2.659 473 3HZ LYS 91 3HZ LYS 91 -3.622 -12.150 -3.011 474 H LYS 92 H LYS 92 -4.248 -11.412 3.050 475 HA LYS 92 HA LYS 92 -1.337 -11.843 2.479 476 1HB LYS 92 1HB LYS 92 -1.087 -11.822 4.786 477 2HB LYS 92 2HB LYS 92 -2.110 -10.454 4.227 478 1HG LYS 92 1HG LYS 92 -4.116 -11.554 5.040 479 2HG LYS 92 2HG LYS 92 -3.265 -13.055 5.404 480 1HD LYS 92 1HD LYS 92 -2.246 -12.211 7.320 481 2HD LYS 92 2HD LYS 92 -2.386 -10.534 6.792 482 1HE LYS 92 1HE LYS 92 -4.926 -10.726 6.991 483 2HE LYS 92 2HE LYS 92 -4.705 -12.342 7.666 484 1HZ LYS 92 1HZ LYS 92 -4.975 -10.635 9.339 485 2HZ LYS 92 2HZ LYS 92 -3.478 -11.314 9.473 486 3HZ LYS 92 3HZ LYS 92 -3.654 -9.825 8.781 487 HHA HEC 93 HHA HEC 93 8.652 -0.127 0.624 488 HHB HEC 93 HHB HEC 93 2.204 -0.124 0.828 489 HHC HEC 93 HHC HEC 93 2.277 4.160 -3.956 490 HHD HEC 93 HHD HEC 93 8.550 3.181 -4.778 491 1HMA HEC 93 1HMA HEC 93 3.331 -2.126 2.172 492 2HMA HEC 93 2HMA HEC 93 4.631 -1.988 3.366 493 3HMA HEC 93 3HMA HEC 93 3.426 -0.700 3.235 494 1HAA HEC 93 1HAA HEC 93 6.854 -1.957 3.220 495 2HAA HEC 93 2HAA HEC 93 7.992 -0.758 2.705 496 1HBA HEC 93 1HBA HEC 93 7.901 -2.139 0.461 497 2HBA HEC 93 2HBA HEC 93 7.323 -3.448 1.494 498 1HMB HEC 93 1HMB HEC 93 0.008 0.717 0.456 499 2HMB HEC 93 2HMB HEC 93 -0.852 0.859 -1.094 500 3HMB HEC 93 3HMB HEC 93 0.299 -0.438 -0.843 501 HAB HEC 93 HAB HEC 93 0.280 3.840 -3.413 502 1HBB HEC 93 1HBB HEC 93 -1.821 4.083 -2.163 503 2HBB HEC 93 2HBB HEC 93 -1.174 3.054 -0.872 504 3HBB HEC 93 3HBB HEC 93 -0.400 4.598 -1.234 505 1HMC HEC 93 1HMC HEC 93 3.131 5.913 -5.308 506 2HMC HEC 93 2HMC HEC 93 4.311 5.892 -6.621 507 3HMC HEC 93 3HMC HEC 93 3.178 4.548 -6.443 508 HAC HEC 93 HAC HEC 93 7.955 4.490 -6.267 509 1HBC HEC 93 1HBC HEC 93 7.765 6.646 -5.391 510 2HBC HEC 93 2HBC HEC 93 7.621 6.761 -7.147 511 3HBC HEC 93 3HBC HEC 93 6.178 6.931 -6.124 512 1HMD HEC 93 1HMD HEC 93 10.201 1.762 -4.879 513 2HMD HEC 93 2HMD HEC 93 11.244 2.618 -3.716 514 3HMD HEC 93 3HMD HEC 93 11.285 0.838 -3.854 515 1HAD HEC 93 1HAD HEC 93 10.960 -0.601 -1.064 516 2HAD HEC 93 2HAD HEC 93 10.548 0.420 0.222 517 1HBD HEC 93 1HBD HEC 93 12.758 0.740 0.054 518 2HBD HEC 93 2HBD HEC 93 11.908 2.229 -0.306 Start of MODEL 22 1 1H VAL 22 1H VAL 22 -14.033 4.155 0.760 2 2H VAL 22 2H VAL 22 -12.705 4.266 1.733 3 3H VAL 22 3H VAL 22 -13.643 5.625 1.449 4 HA VAL 22 HA VAL 22 -13.136 5.384 -0.898 5 HB VAL 22 HB VAL 22 -10.630 5.579 0.839 6 1HG1 VAL 22 1HG1 VAL 22 -9.795 6.909 -1.126 7 2HG1 VAL 22 2HG1 VAL 22 -10.089 5.215 -1.528 8 3HG1 VAL 22 3HG1 VAL 22 -11.252 6.459 -2.024 9 1HG2 VAL 22 1HG2 VAL 22 -10.981 8.037 0.619 10 2HG2 VAL 22 2HG2 VAL 22 -12.546 7.739 -0.160 11 3HG2 VAL 22 3HG2 VAL 22 -12.281 7.275 1.538 12 H ASP 23 H ASP 23 -13.054 3.739 -2.177 13 HA ASP 23 HA ASP 23 -12.652 1.169 -1.459 14 1HB ASP 23 1HB ASP 23 -12.552 2.332 -4.275 15 2HB ASP 23 2HB ASP 23 -12.988 0.675 -3.830 16 H ALA 24 H ALA 24 -10.746 0.761 -0.534 17 HA ALA 24 HA ALA 24 -8.279 1.661 -1.005 18 1HB ALA 24 1HB ALA 24 -9.126 -1.099 -0.134 19 2HB ALA 24 2HB ALA 24 -7.475 -0.455 0.049 20 3HB ALA 24 3HB ALA 24 -8.837 0.305 0.910 21 H GLU 25 H GLU 25 -9.639 -1.279 -2.563 22 HA GLU 25 HA GLU 25 -7.228 -1.955 -3.876 23 1HB GLU 25 1HB GLU 25 -8.323 -3.689 -4.731 24 2HB GLU 25 2HB GLU 25 -9.623 -3.214 -3.632 25 1HG GLU 25 1HG GLU 25 -10.712 -1.993 -5.438 26 2HG GLU 25 2HG GLU 25 -9.409 -2.480 -6.584 27 H ALA 26 H ALA 26 -9.845 0.305 -4.790 28 HA ALA 26 HA ALA 26 -8.882 0.773 -7.457 29 1HB ALA 26 1HB ALA 26 -11.185 1.377 -6.693 30 2HB ALA 26 2HB ALA 26 -10.486 2.678 -5.698 31 3HB ALA 26 3HB ALA 26 -10.305 2.719 -7.455 32 H VAL 27 H VAL 27 -8.319 2.367 -4.286 33 HA VAL 27 HA VAL 27 -6.439 4.363 -5.181 34 HB VAL 27 HB VAL 27 -6.338 2.793 -2.561 35 1HG1 VAL 27 1HG1 VAL 27 -5.105 4.745 -1.725 36 2HG1 VAL 27 2HG1 VAL 27 -4.226 3.977 -3.051 37 3HG1 VAL 27 3HG1 VAL 27 -5.135 5.479 -3.339 38 1HG2 VAL 27 1HG2 VAL 27 -8.518 3.924 -2.820 39 2HG2 VAL 27 2HG2 VAL 27 -7.521 4.735 -1.606 40 3HG2 VAL 27 3HG2 VAL 27 -7.687 5.442 -3.226 41 H VAL 28 H VAL 28 -5.689 0.862 -4.065 42 HA VAL 28 HA VAL 28 -3.017 1.491 -4.760 43 HB VAL 28 HB VAL 28 -4.443 -1.073 -4.199 44 1HG1 VAL 28 1HG1 VAL 28 -2.405 -2.205 -3.782 45 2HG1 VAL 28 2HG1 VAL 28 -2.148 -1.353 -5.304 46 3HG1 VAL 28 3HG1 VAL 28 -1.463 -0.733 -3.775 47 1HG2 VAL 28 1HG2 VAL 28 -2.854 -0.285 -1.966 48 2HG2 VAL 28 2HG2 VAL 28 -3.494 1.230 -2.565 49 3HG2 VAL 28 3HG2 VAL 28 -4.609 -0.052 -2.144 50 H GLN 29 H GLN 29 -5.483 -0.151 -6.548 51 HA GLN 29 HA GLN 29 -3.964 -0.743 -8.897 52 1HB GLN 29 1HB GLN 29 -6.940 -0.526 -8.299 53 2HB GLN 29 2HB GLN 29 -6.378 -1.052 -9.839 54 1HG GLN 29 1HG GLN 29 -5.742 -2.457 -7.228 55 2HG GLN 29 2HG GLN 29 -6.869 -2.990 -8.479 56 1HE2 GLN 29 1HE2 GLN 29 -4.030 -3.931 -7.311 57 2HE2 GLN 29 2HE2 GLN 29 -3.133 -4.280 -8.784 58 H GLN 30 H GLN 30 -4.729 2.352 -7.751 59 HA GLN 30 HA GLN 30 -4.013 3.299 -10.489 60 1HB GLN 30 1HB GLN 30 -6.545 3.682 -9.232 61 2HB GLN 30 2HB GLN 30 -5.723 5.235 -9.150 62 1HG GLN 30 1HG GLN 30 -5.322 5.086 -11.627 63 2HG GLN 30 2HG GLN 30 -6.060 3.473 -11.635 64 1HE2 GLN 30 1HE2 GLN 30 -6.875 6.819 -10.503 65 2HE2 GLN 30 2HE2 GLN 30 -8.541 6.730 -11.057 66 H LYS 31 H LYS 31 -3.226 3.476 -7.180 67 HA LYS 31 HA LYS 31 -1.570 5.928 -7.605 68 1HB LYS 31 1HB LYS 31 -3.595 5.170 -5.541 69 2HB LYS 31 2HB LYS 31 -2.108 5.799 -4.902 70 1HG LYS 31 1HG LYS 31 -3.286 7.359 -7.189 71 2HG LYS 31 2HG LYS 31 -4.274 7.275 -5.719 72 1HD LYS 31 1HD LYS 31 -2.449 7.952 -4.323 73 2HD LYS 31 2HD LYS 31 -1.338 8.030 -5.723 74 1HE LYS 31 1HE LYS 31 -2.720 9.884 -6.677 75 2HE LYS 31 2HE LYS 31 -3.834 9.751 -5.299 76 1HZ LYS 31 1HZ LYS 31 -1.996 10.304 -3.846 77 2HZ LYS 31 2HZ LYS 31 -1.002 10.532 -5.131 78 3HZ LYS 31 3HZ LYS 31 -2.306 11.517 -4.917 79 H CYS 32 H CYS 32 -1.540 2.553 -6.600 80 HA CYS 32 HA CYS 32 1.185 2.967 -5.429 81 1HB CYS 32 1HB CYS 32 -0.647 0.642 -5.130 82 2HB CYS 32 2HB CYS 32 0.811 0.950 -4.186 83 H ILE 33 H ILE 33 -0.752 0.854 -7.589 84 HA ILE 33 HA ILE 33 1.251 -0.799 -8.538 85 HB ILE 33 HB ILE 33 0.016 -0.939 -10.644 86 1HG1 ILE 33 1HG1 ILE 33 -2.019 1.044 -9.589 87 2HG1 ILE 33 2HG1 ILE 33 -0.725 1.535 -10.677 88 1HG2 ILE 33 1HG2 ILE 33 -2.034 -1.911 -9.709 89 2HG2 ILE 33 2HG2 ILE 33 -0.627 -2.299 -8.723 90 3HG2 ILE 33 3HG2 ILE 33 -1.754 -1.073 -8.176 91 1HD1 ILE 33 1HD1 ILE 33 -2.812 -0.556 -11.347 92 2HD1 ILE 33 2HD1 ILE 33 -2.663 1.087 -11.998 93 3HD1 ILE 33 3HD1 ILE 33 -1.417 -0.117 -12.357 94 H SER 34 H SER 34 0.790 2.572 -9.245 95 HA SER 34 HA SER 34 2.204 3.179 -11.472 96 1HB SER 34 1HB SER 34 1.151 4.812 -9.941 97 2HB SER 34 2HB SER 34 2.452 4.552 -8.761 98 HG SER 34 HG SER 34 2.888 5.452 -11.420 99 H CYS 35 H CYS 35 3.683 2.206 -8.333 100 HA CYS 35 HA CYS 35 6.281 1.874 -9.805 101 1HB CYS 35 1HB CYS 35 6.137 2.270 -6.816 102 2HB CYS 35 2HB CYS 35 7.517 2.360 -7.892 103 H HIS 36 H HIS 36 4.043 0.477 -7.348 104 HA HIS 36 HA HIS 36 5.698 -1.853 -6.988 105 1HB HIS 36 1HB HIS 36 2.868 -1.157 -6.204 106 2HB HIS 36 2HB HIS 36 3.638 -2.704 -5.802 107 HD1 HIS 36 1HD HIS 36 5.771 -2.620 -4.103 108 HD2 HIS 36 2HD HIS 36 3.638 0.985 -4.718 109 HE1 HIS 36 1HE HIS 36 6.439 -1.026 -2.240 110 H GLY 37 H GLY 37 3.511 -1.091 -9.560 111 1HA GLY 37 1HA GLY 37 3.312 -2.314 -11.506 112 2HA GLY 37 2HA GLY 37 3.947 -3.772 -10.725 113 H GLY 38 H GLY 38 1.572 -3.605 -12.365 114 1HA GLY 38 1HA GLY 38 -0.886 -3.166 -11.408 115 2HA GLY 38 2HA GLY 38 -0.515 -4.562 -12.420 116 H ASP 39 H ASP 39 0.438 -6.511 -11.137 117 HA ASP 39 HA ASP 39 -1.467 -7.340 -9.232 118 1HB ASP 39 1HB ASP 39 1.204 -8.577 -10.004 119 2HB ASP 39 2HB ASP 39 -0.164 -9.411 -9.244 120 H LEU 40 H LEU 40 1.141 -5.308 -8.662 121 HA LEU 40 HA LEU 40 2.237 -4.557 -6.878 122 1HB LEU 40 1HB LEU 40 0.173 -6.086 -5.250 123 2HB LEU 40 2HB LEU 40 1.213 -4.799 -4.667 124 HG LEU 40 HG LEU 40 -0.417 -4.154 -7.129 125 1HD1 LEU 40 1HD1 LEU 40 -2.393 -3.613 -5.831 126 2HD1 LEU 40 2HD1 LEU 40 -2.066 -5.349 -5.846 127 3HD1 LEU 40 3HD1 LEU 40 -1.684 -4.397 -4.393 128 1HD2 LEU 40 1HD2 LEU 40 0.038 -2.517 -4.653 129 2HD2 LEU 40 2HD2 LEU 40 1.263 -2.666 -5.920 130 3HD2 LEU 40 3HD2 LEU 40 -0.305 -1.974 -6.313 131 H THR 41 H THR 41 2.905 -7.126 -8.167 132 HA THR 41 HA THR 41 4.318 -8.757 -6.266 133 HB THR 41 HB THR 41 5.144 -9.652 -8.576 134 HG1 THR 41 1HG THR 41 4.717 -7.892 -9.870 135 1HG2 THR 41 1HG2 THR 41 3.309 -10.732 -7.341 136 2HG2 THR 41 2HG2 THR 41 2.152 -9.532 -7.947 137 3HG2 THR 41 3HG2 THR 41 2.925 -10.663 -9.074 138 H GLY 42 H GLY 42 4.967 -5.628 -7.616 139 1HA GLY 42 1HA GLY 42 6.676 -4.424 -6.718 140 2HA GLY 42 2HA GLY 42 7.665 -5.866 -6.454 141 H ALA 43 H ALA 43 6.400 -3.729 -9.000 142 HA ALA 43 HA ALA 43 8.335 -4.649 -10.987 143 1HB ALA 43 1HB ALA 43 7.444 -2.772 -12.345 144 2HB ALA 43 2HB ALA 43 6.193 -3.868 -11.732 145 3HB ALA 43 3HB ALA 43 6.423 -2.281 -10.976 146 H SER 44 H SER 44 7.903 -1.301 -9.801 147 HA SER 44 HA SER 44 10.834 -0.820 -10.006 148 1HB SER 44 1HB SER 44 9.264 0.612 -11.343 149 2HB SER 44 2HB SER 44 8.547 1.171 -9.817 150 HG SER 44 HG SER 44 10.768 1.762 -9.231 151 H ALA 45 H ALA 45 8.830 -1.892 -7.693 152 HA ALA 45 HA ALA 45 10.206 -0.676 -5.402 153 1HB ALA 45 1HB ALA 45 7.179 -0.692 -5.829 154 2HB ALA 45 2HB ALA 45 8.001 -0.225 -4.335 155 3HB ALA 45 3HB ALA 45 8.190 0.752 -5.801 156 HA PRO 46 HA PRO 46 9.908 -4.991 -4.471 157 1HB PRO 46 1HB PRO 46 9.466 -5.195 -1.754 158 2HB PRO 46 2HB PRO 46 11.008 -4.635 -2.466 159 1HG PRO 46 1HG PRO 46 8.692 -2.943 -1.513 160 2HG PRO 46 2HG PRO 46 10.411 -2.791 -1.036 161 1HD PRO 46 1HD PRO 46 9.363 -1.235 -2.983 162 2HD PRO 46 2HD PRO 46 10.982 -1.945 -3.234 163 H ALA 47 H ALA 47 8.493 -6.746 -3.655 164 HA ALA 47 HA ALA 47 5.827 -6.452 -4.612 165 1HB ALA 47 1HB ALA 47 7.005 -8.655 -2.851 166 2HB ALA 47 2HB ALA 47 5.557 -8.767 -3.872 167 3HB ALA 47 3HB ALA 47 7.165 -8.598 -4.611 168 H ILE 48 H ILE 48 4.097 -5.617 -3.554 169 HA ILE 48 HA ILE 48 4.034 -5.915 -0.586 170 HB ILE 48 HB ILE 48 2.989 -3.820 -0.215 171 1HG1 ILE 48 1HG1 ILE 48 3.190 -2.027 -1.997 172 2HG1 ILE 48 2HG1 ILE 48 3.252 -3.322 -3.188 173 1HG2 ILE 48 1HG2 ILE 48 5.453 -4.083 -0.149 174 2HG2 ILE 48 2HG2 ILE 48 5.536 -3.511 -1.830 175 3HG2 ILE 48 3HG2 ILE 48 4.947 -2.436 -0.556 176 1HD1 ILE 48 1HD1 ILE 48 0.972 -2.244 -2.701 177 2HD1 ILE 48 2HD1 ILE 48 0.959 -4.011 -2.497 178 3HD1 ILE 48 3HD1 ILE 48 1.038 -2.938 -1.084 179 H ASP 49 H ASP 49 2.623 -6.936 -3.403 180 HA ASP 49 HA ASP 49 0.046 -7.655 -2.886 181 1HB ASP 49 1HB ASP 49 1.191 -8.620 -4.719 182 2HB ASP 49 2HB ASP 49 2.536 -9.167 -3.717 183 H LYS 50 H LYS 50 2.896 -8.833 -1.106 184 HA LYS 50 HA LYS 50 1.142 -10.268 0.823 185 1HB LYS 50 1HB LYS 50 4.053 -10.746 0.118 186 2HB LYS 50 2HB LYS 50 3.148 -11.641 1.346 187 1HG LYS 50 1HG LYS 50 2.405 -11.531 -1.598 188 2HG LYS 50 2HG LYS 50 3.325 -12.830 -0.856 189 1HD LYS 50 1HD LYS 50 1.463 -13.505 0.534 190 2HD LYS 50 2HD LYS 50 0.499 -12.097 0.069 191 1HE LYS 50 1HE LYS 50 0.349 -12.793 -2.225 192 2HE LYS 50 2HE LYS 50 1.353 -14.219 -1.923 193 1HZ LYS 50 1HZ LYS 50 -0.375 -15.043 -0.488 194 2HZ LYS 50 2HZ LYS 50 -1.192 -13.665 -0.520 195 3HZ LYS 50 3HZ LYS 50 -1.110 -14.576 -1.895 196 H ALA 51 H ALA 51 2.197 -7.274 0.743 197 HA ALA 51 HA ALA 51 3.754 -7.002 3.095 198 1HB ALA 51 1HB ALA 51 3.048 -4.718 3.165 199 2HB ALA 51 2HB ALA 51 3.335 -5.199 1.481 200 3HB ALA 51 3HB ALA 51 1.672 -5.023 2.106 201 H GLY 52 H GLY 52 0.113 -7.411 2.738 202 1HA GLY 52 1HA GLY 52 -0.433 -7.046 5.477 203 2HA GLY 52 2HA GLY 52 -1.334 -8.057 4.342 204 H ALA 53 H ALA 53 1.024 -9.871 3.803 205 HA ALA 53 HA ALA 53 0.748 -11.645 6.126 206 1HB ALA 53 1HB ALA 53 0.953 -12.643 3.868 207 2HB ALA 53 2HB ALA 53 2.550 -11.896 3.681 208 3HB ALA 53 3HB ALA 53 2.279 -13.118 4.925 209 H ASN 54 H ASN 54 3.347 -9.738 4.615 210 HA ASN 54 HA ASN 54 5.353 -10.632 6.492 211 1HB ASN 54 1HB ASN 54 5.343 -8.254 4.586 212 2HB ASN 54 2HB ASN 54 6.766 -8.889 5.423 213 1HD2 ASN 54 1HD2 ASN 54 6.543 -8.647 2.562 214 2HD2 ASN 54 2HD2 ASN 54 6.612 -10.278 1.923 215 H TYR 55 H TYR 55 3.300 -7.803 6.287 216 HA TYR 55 HA TYR 55 4.324 -6.611 8.821 217 1HB TYR 55 1HB TYR 55 3.436 -5.117 6.330 218 2HB TYR 55 2HB TYR 55 4.054 -4.421 7.824 219 HD1 TYR 55 1HD TYR 55 5.031 -4.099 4.842 220 HD2 TYR 55 2HD TYR 55 6.453 -6.275 8.290 221 HE1 TYR 55 1HE TYR 55 7.355 -4.035 3.953 222 HE2 TYR 55 2HE TYR 55 8.723 -6.263 7.370 223 HH TYR 55 HH TYR 55 10.103 -5.515 5.685 224 H SER 56 H SER 56 2.394 -4.696 9.198 225 HA SER 56 HA SER 56 -0.207 -6.039 8.800 226 1HB SER 56 1HB SER 56 0.879 -5.316 11.548 227 2HB SER 56 2HB SER 56 -0.770 -5.860 11.193 228 HG SER 56 HG SER 56 0.860 -7.571 9.999 229 H GLU 57 H GLU 57 -1.963 -4.491 9.834 230 HA GLU 57 HA GLU 57 -1.975 -2.586 7.787 231 1HB GLU 57 1HB GLU 57 -4.161 -2.029 8.488 232 2HB GLU 57 2HB GLU 57 -3.952 -3.740 8.740 233 1HG GLU 57 1HG GLU 57 -4.938 -3.279 10.718 234 2HG GLU 57 2HG GLU 57 -3.305 -2.873 11.253 235 H GLU 58 H GLU 58 -1.175 -2.210 11.235 236 HA GLU 58 HA GLU 58 -1.025 0.609 11.302 237 1HB GLU 58 1HB GLU 58 0.562 0.233 13.202 238 2HB GLU 58 2HB GLU 58 -1.034 -0.499 13.353 239 1HG GLU 58 1HG GLU 58 1.347 -2.178 12.465 240 2HG GLU 58 2HG GLU 58 1.031 -1.815 14.147 241 H GLU 59 H GLU 59 1.556 -1.752 10.547 242 HA GLU 59 HA GLU 59 3.669 0.106 10.106 243 1HB GLU 59 1HB GLU 59 3.117 -2.632 8.879 244 2HB GLU 59 2HB GLU 59 4.662 -1.797 8.773 245 1HG GLU 59 1HG GLU 59 3.376 -2.652 11.410 246 2HG GLU 59 2HG GLU 59 4.604 -3.563 10.527 247 H ILE 60 H ILE 60 1.294 -1.391 7.935 248 HA ILE 60 HA ILE 60 2.402 -0.331 5.499 249 HB ILE 60 HB ILE 60 -0.346 -1.412 6.162 250 1HG1 ILE 60 1HG1 ILE 60 1.855 -2.802 4.590 251 2HG1 ILE 60 2HG1 ILE 60 1.791 -2.917 6.347 252 1HG2 ILE 60 1HG2 ILE 60 -0.557 -1.754 3.659 253 2HG2 ILE 60 2HG2 ILE 60 -0.587 -0.074 4.176 254 3HG2 ILE 60 3HG2 ILE 60 0.893 -0.750 3.462 255 1HD1 ILE 60 1HD1 ILE 60 -0.506 -3.835 6.239 256 2HD1 ILE 60 2HD1 ILE 60 -0.406 -3.844 4.469 257 3HD1 ILE 60 3HD1 ILE 60 0.703 -4.840 5.427 258 H LEU 61 H LEU 61 -0.355 0.649 7.551 259 HA LEU 61 HA LEU 61 -1.264 2.907 6.211 260 1HB LEU 61 1HB LEU 61 -2.277 1.886 8.216 261 2HB LEU 61 2HB LEU 61 -0.964 2.431 9.223 262 HG LEU 61 HG LEU 61 -1.573 4.731 9.005 263 1HD1 LEU 61 1HD1 LEU 61 -2.201 4.962 6.694 264 2HD1 LEU 61 2HD1 LEU 61 -3.505 3.771 6.870 265 3HD1 LEU 61 3HD1 LEU 61 -3.639 5.369 7.636 266 1HD2 LEU 61 1HD2 LEU 61 -3.835 4.701 9.958 267 2HD2 LEU 61 2HD2 LEU 61 -4.099 3.057 9.340 268 3HD2 LEU 61 3HD2 LEU 61 -2.880 3.350 10.598 269 H ASP 62 H ASP 62 1.234 2.689 8.805 270 HA ASP 62 HA ASP 62 1.797 5.481 8.719 271 1HB ASP 62 1HB ASP 62 2.427 3.953 10.596 272 2HB ASP 62 2HB ASP 62 3.724 3.295 9.583 273 H ILE 63 H ILE 63 3.203 2.702 6.964 274 HA ILE 63 HA ILE 63 5.327 4.234 5.756 275 HB ILE 63 HB ILE 63 4.061 1.535 5.332 276 1HG1 ILE 63 1HG1 ILE 63 6.937 2.495 5.709 277 2HG1 ILE 63 2HG1 ILE 63 5.842 1.998 7.007 278 1HG2 ILE 63 1HG2 ILE 63 4.236 2.167 3.037 279 2HG2 ILE 63 2HG2 ILE 63 5.884 2.824 3.271 280 3HG2 ILE 63 3HG2 ILE 63 5.564 1.088 3.413 281 1HD1 ILE 63 1HD1 ILE 63 5.680 -0.279 5.894 282 2HD1 ILE 63 2HD1 ILE 63 7.013 0.235 4.826 283 3HD1 ILE 63 3HD1 ILE 63 7.264 0.148 6.570 284 H ILE 64 H ILE 64 1.969 3.568 4.652 285 HA ILE 64 HA ILE 64 2.253 4.855 2.102 286 HB ILE 64 HB ILE 64 -0.135 4.603 3.968 287 1HG1 ILE 64 1HG1 ILE 64 0.361 3.103 1.391 288 2HG1 ILE 64 2HG1 ILE 64 1.084 2.517 2.892 289 1HG2 ILE 64 1HG2 ILE 64 -0.588 6.464 2.458 290 2HG2 ILE 64 2HG2 ILE 64 0.027 5.543 1.071 291 3HG2 ILE 64 3HG2 ILE 64 -1.482 5.069 1.868 292 1HD1 ILE 64 1HD1 ILE 64 -1.101 1.447 2.461 293 2HD1 ILE 64 2HD1 ILE 64 -1.086 2.354 3.979 294 3HD1 ILE 64 3HD1 ILE 64 -1.890 3.032 2.558 295 H LEU 65 H LEU 65 1.265 6.088 5.302 296 HA LEU 65 HA LEU 65 0.879 8.790 4.462 297 1HB LEU 65 1HB LEU 65 1.471 7.556 7.169 298 2HB LEU 65 2HB LEU 65 0.985 9.234 6.943 299 HG LEU 65 HG LEU 65 -0.800 6.910 5.994 300 1HD1 LEU 65 1HD1 LEU 65 -0.799 8.413 8.658 301 2HD1 LEU 65 2HD1 LEU 65 -2.018 7.240 8.121 302 3HD1 LEU 65 3HD1 LEU 65 -0.357 6.710 8.438 303 1HD2 LEU 65 1HD2 LEU 65 -1.311 9.834 6.574 304 2HD2 LEU 65 2HD2 LEU 65 -1.310 9.021 4.984 305 3HD2 LEU 65 3HD2 LEU 65 -2.545 8.612 6.186 306 H ASN 66 H ASN 66 3.755 7.081 5.616 307 HA ASN 66 HA ASN 66 5.288 9.587 5.963 308 1HB ASN 66 1HB ASN 66 5.754 6.684 6.745 309 2HB ASN 66 2HB ASN 66 7.007 7.881 6.851 310 1HD2 ASN 66 1HD2 ASN 66 3.683 7.291 7.860 311 2HD2 ASN 66 2HD2 ASN 66 3.916 7.728 9.511 312 H GLY 67 H GLY 67 5.669 6.444 4.243 313 1HA GLY 67 1HA GLY 67 6.643 6.596 1.936 314 2HA GLY 67 2HA GLY 67 7.946 7.550 2.665 315 H GLN 68 H GLN 68 9.139 5.705 1.674 316 HA GLN 68 HA GLN 68 10.212 4.061 3.708 317 1HB GLN 68 1HB GLN 68 8.428 2.283 3.010 318 2HB GLN 68 2HB GLN 68 8.832 2.667 1.354 319 1HG GLN 68 1HG GLN 68 9.795 0.598 2.062 320 2HG GLN 68 2HG GLN 68 11.099 1.713 1.670 321 1HE2 GLN 68 1HE2 GLN 68 10.636 -0.794 3.453 322 2HE2 GLN 68 2HE2 GLN 68 11.509 -0.321 4.905 323 H GLY 69 H GLY 69 12.443 4.133 3.083 324 1HA GLY 69 1HA GLY 69 14.262 4.717 1.762 325 2HA GLY 69 2HA GLY 69 13.581 3.484 0.698 326 H GLY 70 H GLY 70 13.085 4.159 -1.408 327 1HA GLY 70 1HA GLY 70 13.370 6.982 -2.111 328 2HA GLY 70 2HA GLY 70 13.124 5.594 -3.175 329 H MET 71 H MET 71 10.677 5.049 -1.161 330 HA MET 71 HA MET 71 8.661 5.986 -2.940 331 1HB MET 71 1HB MET 71 8.563 3.988 -1.443 332 2HB MET 71 2HB MET 71 8.454 5.040 -0.066 333 1HG MET 71 1HG MET 71 6.363 5.892 -0.620 334 2HG MET 71 2HG MET 71 6.319 5.098 -2.193 335 1HE MET 71 1HE MET 71 3.861 3.463 0.798 336 2HE MET 71 2HE MET 71 4.621 5.059 0.967 337 3HE MET 71 3HE MET 71 3.801 4.613 -0.551 338 HA PRO 72 HA PRO 72 8.826 10.148 -1.323 339 1HB PRO 72 1HB PRO 72 6.511 11.236 -2.393 340 2HB PRO 72 2HB PRO 72 8.006 10.921 -3.318 341 1HG PRO 72 1HG PRO 72 5.557 9.164 -3.109 342 2HG PRO 72 2HG PRO 72 6.444 9.633 -4.587 343 1HD PRO 72 1HD PRO 72 6.894 7.247 -3.417 344 2HD PRO 72 2HD PRO 72 8.281 8.201 -4.039 345 H GLY 73 H GLY 73 5.808 8.324 -0.901 346 1HA GLY 73 1HA GLY 73 4.640 7.964 1.075 347 2HA GLY 73 2HA GLY 73 5.698 9.110 1.911 348 H GLY 74 H GLY 74 2.991 9.088 2.333 349 1HA GLY 74 1HA GLY 74 1.183 10.516 2.496 350 2HA GLY 74 2HA GLY 74 2.200 11.830 1.873 351 H ILE 75 H ILE 75 1.808 8.800 0.171 352 HA ILE 75 HA ILE 75 0.954 10.061 -2.273 353 HB ILE 75 HB ILE 75 1.261 7.208 -1.300 354 1HG1 ILE 75 1HG1 ILE 75 2.815 8.379 -3.588 355 2HG1 ILE 75 2HG1 ILE 75 3.187 9.039 -1.995 356 1HG2 ILE 75 1HG2 ILE 75 1.041 6.496 -3.694 357 2HG2 ILE 75 2HG2 ILE 75 -0.478 7.063 -2.998 358 3HG2 ILE 75 3HG2 ILE 75 0.449 8.119 -4.089 359 1HD1 ILE 75 1HD1 ILE 75 3.787 6.928 -1.102 360 2HD1 ILE 75 2HD1 ILE 75 3.106 6.065 -2.490 361 3HD1 ILE 75 3HD1 ILE 75 4.578 7.027 -2.692 362 H ALA 76 H ALA 76 -0.675 8.564 0.464 363 HA ALA 76 HA ALA 76 -3.263 9.448 -0.545 364 1HB ALA 76 1HB ALA 76 -2.535 6.617 0.364 365 2HB ALA 76 2HB ALA 76 -4.184 7.224 0.464 366 3HB ALA 76 3HB ALA 76 -3.386 7.096 -1.121 367 H LYS 77 H LYS 77 -4.709 9.830 1.376 368 HA LYS 77 HA LYS 77 -3.359 9.519 3.983 369 1HB LYS 77 1HB LYS 77 -2.984 11.936 2.708 370 2HB LYS 77 2HB LYS 77 -4.431 12.275 3.670 371 1HG LYS 77 1HG LYS 77 -3.170 11.302 5.668 372 2HG LYS 77 2HG LYS 77 -1.742 11.209 4.603 373 1HD LYS 77 1HD LYS 77 -1.836 13.647 4.262 374 2HD LYS 77 2HD LYS 77 -3.208 13.774 5.370 375 1HE LYS 77 1HE LYS 77 -0.412 12.702 6.068 376 2HE LYS 77 2HE LYS 77 -0.994 14.329 6.433 377 1HZ LYS 77 1HZ LYS 77 -2.675 13.351 7.851 378 2HZ LYS 77 2HZ LYS 77 -2.118 11.834 7.530 379 3HZ LYS 77 3HZ LYS 77 -1.167 12.903 8.326 380 H GLY 78 H GLY 78 -4.563 9.738 5.862 381 1HA GLY 78 1HA GLY 78 -6.398 9.544 7.184 382 2HA GLY 78 2HA GLY 78 -7.317 10.443 5.963 383 H ALA 79 H ALA 79 -9.127 9.151 5.950 384 HA ALA 79 HA ALA 79 -9.621 6.523 5.975 385 1HB ALA 79 1HB ALA 79 -11.339 8.234 5.695 386 2HB ALA 79 2HB ALA 79 -10.839 8.492 4.006 387 3HB ALA 79 3HB ALA 79 -11.540 6.936 4.503 388 H GLU 80 H GLU 80 -8.165 8.216 3.215 389 HA GLU 80 HA GLU 80 -8.320 6.180 1.245 390 1HB GLU 80 1HB GLU 80 -7.661 8.733 1.190 391 2HB GLU 80 2HB GLU 80 -6.059 8.145 1.606 392 1HG GLU 80 1HG GLU 80 -6.163 6.758 -0.544 393 2HG GLU 80 2HG GLU 80 -7.664 7.613 -0.915 394 H ALA 81 H ALA 81 -5.581 7.038 3.503 395 HA ALA 81 HA ALA 81 -4.002 4.770 2.673 396 1HB ALA 81 1HB ALA 81 -3.024 6.898 3.479 397 2HB ALA 81 2HB ALA 81 -3.737 6.614 5.084 398 3HB ALA 81 3HB ALA 81 -2.497 5.509 4.443 399 H GLU 82 H GLU 82 -6.174 5.545 5.403 400 HA GLU 82 HA GLU 82 -5.709 3.257 7.033 401 1HB GLU 82 1HB GLU 82 -8.224 4.886 6.557 402 2HB GLU 82 2HB GLU 82 -8.005 3.761 7.896 403 1HG GLU 82 1HG GLU 82 -6.384 5.112 8.955 404 2HG GLU 82 2HG GLU 82 -6.049 6.059 7.507 405 H ALA 83 H ALA 83 -8.094 3.810 4.387 406 HA ALA 83 HA ALA 83 -9.230 1.223 4.444 407 1HB ALA 83 1HB ALA 83 -10.234 3.117 3.238 408 2HB ALA 83 2HB ALA 83 -8.911 3.075 2.047 409 3HB ALA 83 3HB ALA 83 -10.033 1.704 2.205 410 H VAL 84 H VAL 84 -6.391 2.485 2.526 411 HA VAL 84 HA VAL 84 -5.813 -0.037 1.327 412 HB VAL 84 HB VAL 84 -3.779 2.032 2.168 413 1HG1 VAL 84 1HG1 VAL 84 -2.698 -0.151 1.827 414 2HG1 VAL 84 2HG1 VAL 84 -3.680 -0.447 0.379 415 3HG1 VAL 84 3HG1 VAL 84 -2.442 0.798 0.377 416 1HG2 VAL 84 1HG2 VAL 84 -5.281 2.994 0.476 417 2HG2 VAL 84 2HG2 VAL 84 -3.706 2.593 -0.240 418 3HG2 VAL 84 3HG2 VAL 84 -5.112 1.537 -0.523 419 H ALA 85 H ALA 85 -4.710 1.256 4.514 420 HA ALA 85 HA ALA 85 -3.017 -0.858 5.193 421 1HB ALA 85 1HB ALA 85 -3.352 -0.158 7.478 422 2HB ALA 85 2HB ALA 85 -3.425 1.284 6.446 423 3HB ALA 85 3HB ALA 85 -4.906 0.584 7.124 424 H ALA 86 H ALA 86 -6.513 -0.579 5.955 425 HA ALA 86 HA ALA 86 -6.845 -3.172 7.038 426 1HB ALA 86 1HB ALA 86 -8.494 -1.384 7.291 427 2HB ALA 86 2HB ALA 86 -8.854 -1.422 5.552 428 3HB ALA 86 3HB ALA 86 -9.250 -2.822 6.575 429 H TRP 87 H TRP 87 -7.583 -2.076 3.688 430 HA TRP 87 HA TRP 87 -8.456 -4.562 2.666 431 1HB TRP 87 1HB TRP 87 -8.892 -2.471 1.580 432 2HB TRP 87 2HB TRP 87 -7.140 -2.155 1.441 433 HD1 TRP 87 HD TRP 87 -9.879 -4.153 -0.400 434 HE1 TRP 87 1HE TRP 87 -8.892 -5.109 -2.534 435 HE3 TRP 87 3HE TRP 87 -5.162 -2.236 -0.005 436 HZ2 TRP 87 2HZ TRP 87 -5.365 -5.191 -2.791 437 HZ3 TRP 87 3HZ TRP 87 -3.791 -2.188 -2.059 438 HH2 TRP 87 HH TRP 87 -4.494 -3.397 -4.098 439 H LEU 88 H LEU 88 -5.190 -3.113 2.678 440 HA LEU 88 HA LEU 88 -4.076 -5.163 1.068 441 1HB LEU 88 1HB LEU 88 -3.269 -2.723 1.435 442 2HB LEU 88 2HB LEU 88 -2.380 -3.392 2.799 443 HG LEU 88 HG LEU 88 -1.204 -3.106 0.685 444 1HD1 LEU 88 1HD1 LEU 88 -1.361 -6.095 1.216 445 2HD1 LEU 88 2HD1 LEU 88 0.028 -5.084 0.805 446 3HD1 LEU 88 3HD1 LEU 88 -0.666 -4.974 2.436 447 1HD2 LEU 88 1HD2 LEU 88 -1.261 -4.599 -1.173 448 2HD2 LEU 88 2HD2 LEU 88 -2.855 -5.186 -0.669 449 3HD2 LEU 88 3HD2 LEU 88 -2.571 -3.459 -1.010 450 H ALA 89 H ALA 89 -4.162 -4.496 4.572 451 HA ALA 89 HA ALA 89 -2.746 -6.788 5.503 452 1HB ALA 89 1HB ALA 89 -3.322 -4.983 6.968 453 2HB ALA 89 2HB ALA 89 -5.062 -5.310 6.780 454 3HB ALA 89 3HB ALA 89 -4.012 -6.501 7.573 455 H GLU 90 H GLU 90 -6.133 -6.341 4.453 456 HA GLU 90 HA GLU 90 -6.908 -9.055 5.006 457 1HB GLU 90 1HB GLU 90 -8.385 -7.180 5.087 458 2HB GLU 90 2HB GLU 90 -8.158 -6.806 3.392 459 1HG GLU 90 1HG GLU 90 -9.276 -9.506 4.228 460 2HG GLU 90 2HG GLU 90 -10.301 -8.066 4.168 461 H LYS 91 H LYS 91 -4.877 -7.824 2.467 462 HA LYS 91 HA LYS 91 -6.078 -9.367 0.324 463 1HB LYS 91 1HB LYS 91 -4.599 -7.098 0.579 464 2HB LYS 91 2HB LYS 91 -3.331 -8.173 0.061 465 1HG LYS 91 1HG LYS 91 -6.025 -7.752 -1.346 466 2HG LYS 91 2HG LYS 91 -4.595 -6.766 -1.626 467 1HD LYS 91 1HD LYS 91 -4.670 -9.749 -2.206 468 2HD LYS 91 2HD LYS 91 -4.987 -8.469 -3.378 469 1HE LYS 91 1HE LYS 91 -2.719 -7.473 -2.839 470 2HE LYS 91 2HE LYS 91 -2.387 -8.895 -1.837 471 1HZ LYS 91 1HZ LYS 91 -1.931 -10.077 -3.601 472 2HZ LYS 91 2HZ LYS 91 -3.187 -9.512 -4.543 473 3HZ LYS 91 3HZ LYS 91 -1.748 -8.706 -4.389 474 H LYS 92 H LYS 92 -3.865 -10.073 2.749 475 HA LYS 92 HA LYS 92 -1.614 -10.959 1.406 476 1HB LYS 92 1HB LYS 92 -0.843 -11.542 3.530 477 2HB LYS 92 2HB LYS 92 -1.754 -10.026 3.527 478 1HG LYS 92 1HG LYS 92 -3.778 -11.493 4.323 479 2HG LYS 92 2HG LYS 92 -2.572 -12.739 4.658 480 1HD LYS 92 1HD LYS 92 -1.486 -11.335 6.324 481 2HD LYS 92 2HD LYS 92 -2.350 -9.912 5.749 482 1HE LYS 92 1HE LYS 92 -3.408 -10.470 7.762 483 2HE LYS 92 2HE LYS 92 -4.523 -10.948 6.477 484 1HZ LYS 92 1HZ LYS 92 -3.701 -13.199 6.703 485 2HZ LYS 92 2HZ LYS 92 -2.719 -12.741 7.949 486 3HZ LYS 92 3HZ LYS 92 -4.357 -12.648 8.112 487 HHA HEC 93 HHA HEC 93 8.563 -0.059 0.393 488 HHB HEC 93 HHB HEC 93 2.143 0.090 0.732 489 HHC HEC 93 HHC HEC 93 2.226 4.370 -4.089 490 HHD HEC 93 HHD HEC 93 8.466 3.384 -4.955 491 1HMA HEC 93 1HMA HEC 93 4.141 -0.972 3.468 492 2HMA HEC 93 2HMA HEC 93 2.935 -1.406 2.240 493 3HMA HEC 93 3HMA HEC 93 4.361 -2.424 2.471 494 1HAA HEC 93 1HAA HEC 93 6.774 -1.754 3.080 495 2HAA HEC 93 2HAA HEC 93 7.918 -0.578 2.550 496 1HBA HEC 93 1HBA HEC 93 7.942 -2.055 0.385 497 2HBA HEC 93 2HBA HEC 93 7.220 -3.302 1.398 498 1HMB HEC 93 1HMB HEC 93 -0.904 1.743 -0.692 499 2HMB HEC 93 2HMB HEC 93 -0.206 0.164 -1.064 500 3HMB HEC 93 3HMB HEC 93 0.096 0.929 0.510 501 HAB HEC 93 HAB HEC 93 0.271 4.152 -3.504 502 1HBB HEC 93 1HBB HEC 93 -1.161 3.838 -0.850 503 2HBB HEC 93 2HBB HEC 93 -0.092 5.159 -1.321 504 3HBB HEC 93 3HBB HEC 93 -1.599 4.873 -2.211 505 1HMC HEC 93 1HMC HEC 93 2.850 4.737 -6.372 506 2HMC HEC 93 2HMC HEC 93 3.226 6.239 -5.502 507 3HMC HEC 93 3HMC HEC 93 4.116 5.795 -6.971 508 HAC HEC 93 HAC HEC 93 7.834 4.683 -6.477 509 1HBC HEC 93 1HBC HEC 93 7.324 6.866 -7.526 510 2HBC HEC 93 2HBC HEC 93 5.882 7.001 -6.504 511 3HBC HEC 93 3HBC HEC 93 7.486 6.898 -5.768 512 1HMD HEC 93 1HMD HEC 93 10.114 1.943 -5.056 513 2HMD HEC 93 2HMD HEC 93 11.167 2.799 -3.900 514 3HMD HEC 93 3HMD HEC 93 11.198 1.019 -4.030 515 1HAD HEC 93 1HAD HEC 93 10.868 -0.478 -1.276 516 2HAD HEC 93 2HAD HEC 93 10.451 0.510 -0.005 517 1HBD HEC 93 1HBD HEC 93 12.642 0.887 -0.109 518 2HBD HEC 93 2HBD HEC 93 11.764 2.366 -0.479 Start of MODEL 23 1 1H VAL 22 1H VAL 22 -13.989 4.338 0.515 2 2H VAL 22 2H VAL 22 -12.649 4.437 1.474 3 3H VAL 22 3H VAL 22 -13.576 5.815 1.188 4 HA VAL 22 HA VAL 22 -13.130 5.494 -1.158 5 HB VAL 22 HB VAL 22 -10.504 5.670 0.380 6 1HG1 VAL 22 1HG1 VAL 22 -10.309 5.453 -2.083 7 2HG1 VAL 22 2HG1 VAL 22 -11.467 6.776 -2.308 8 3HG1 VAL 22 3HG1 VAL 22 -9.883 7.096 -1.584 9 1HG2 VAL 22 1HG2 VAL 22 -12.022 7.306 1.397 10 2HG2 VAL 22 2HG2 VAL 22 -10.879 8.140 0.340 11 3HG2 VAL 22 3HG2 VAL 22 -12.542 7.865 -0.214 12 H ASP 23 H ASP 23 -12.882 3.936 -2.447 13 HA ASP 23 HA ASP 23 -12.770 1.347 -1.814 14 1HB ASP 23 1HB ASP 23 -12.253 2.645 -4.516 15 2HB ASP 23 2HB ASP 23 -12.797 0.977 -4.269 16 H ALA 24 H ALA 24 -11.072 0.592 -0.741 17 HA ALA 24 HA ALA 24 -8.515 1.356 -0.757 18 1HB ALA 24 1HB ALA 24 -9.375 -1.528 -0.340 19 2HB ALA 24 2HB ALA 24 -7.949 -0.692 0.331 20 3HB ALA 24 3HB ALA 24 -9.583 -0.257 0.866 21 H GLU 25 H GLU 25 -9.720 -1.475 -2.655 22 HA GLU 25 HA GLU 25 -7.178 -1.937 -3.818 23 1HB GLU 25 1HB GLU 25 -8.100 -3.605 -5.065 24 2HB GLU 25 2HB GLU 25 -9.254 -3.502 -3.729 25 1HG GLU 25 1HG GLU 25 -10.705 -2.094 -5.132 26 2HG GLU 25 2HG GLU 25 -9.550 -2.327 -6.506 27 H ALA 26 H ALA 26 -9.942 0.119 -4.915 28 HA ALA 26 HA ALA 26 -8.954 0.756 -7.457 29 1HB ALA 26 1HB ALA 26 -11.201 1.415 -6.549 30 2HB ALA 26 2HB ALA 26 -10.382 2.744 -5.682 31 3HB ALA 26 3HB ALA 26 -10.332 2.679 -7.444 32 H VAL 27 H VAL 27 -8.356 2.448 -4.354 33 HA VAL 27 HA VAL 27 -6.293 4.314 -5.194 34 HB VAL 27 HB VAL 27 -6.575 2.717 -2.594 35 1HG1 VAL 27 1HG1 VAL 27 -5.224 4.380 -1.527 36 2HG1 VAL 27 2HG1 VAL 27 -4.299 3.754 -2.896 37 3HG1 VAL 27 3HG1 VAL 27 -5.112 5.334 -3.006 38 1HG2 VAL 27 1HG2 VAL 27 -8.587 4.123 -3.090 39 2HG2 VAL 27 2HG2 VAL 27 -7.691 4.661 -1.668 40 3HG2 VAL 27 3HG2 VAL 27 -7.529 5.540 -3.204 41 H VAL 28 H VAL 28 -5.785 0.826 -3.979 42 HA VAL 28 HA VAL 28 -3.041 1.275 -4.804 43 HB VAL 28 HB VAL 28 -4.510 -1.086 -3.833 44 1HG1 VAL 28 1HG1 VAL 28 -2.520 -2.131 -4.286 45 2HG1 VAL 28 2HG1 VAL 28 -1.657 -0.619 -4.418 46 3HG1 VAL 28 3HG1 VAL 28 -1.872 -1.340 -2.838 47 1HG2 VAL 28 1HG2 VAL 28 -3.477 -0.424 -1.548 48 2HG2 VAL 28 2HG2 VAL 28 -3.155 1.148 -2.275 49 3HG2 VAL 28 3HG2 VAL 28 -4.807 0.542 -2.138 50 H GLN 29 H GLN 29 -5.699 0.574 -6.632 51 HA GLN 29 HA GLN 29 -4.201 -0.876 -8.730 52 1HB GLN 29 1HB GLN 29 -7.125 -0.238 -8.243 53 2HB GLN 29 2HB GLN 29 -6.579 -0.914 -9.755 54 1HG GLN 29 1HG GLN 29 -6.075 -2.282 -7.084 55 2HG GLN 29 2HG GLN 29 -7.454 -2.590 -8.139 56 1HE2 GLN 29 1HE2 GLN 29 -3.920 -2.871 -7.812 57 2HE2 GLN 29 2HE2 GLN 29 -3.703 -4.041 -9.092 58 H GLN 30 H GLN 30 -4.631 2.300 -7.710 59 HA GLN 30 HA GLN 30 -3.715 3.181 -10.402 60 1HB GLN 30 1HB GLN 30 -6.294 3.680 -9.291 61 2HB GLN 30 2HB GLN 30 -5.424 5.196 -9.133 62 1HG GLN 30 1HG GLN 30 -4.913 5.225 -11.527 63 2HG GLN 30 2HG GLN 30 -5.453 3.548 -11.716 64 1HE2 GLN 30 1HE2 GLN 30 -6.993 6.465 -10.206 65 2HE2 GLN 30 2HE2 GLN 30 -8.472 6.285 -11.141 66 H LYS 31 H LYS 31 -3.150 3.383 -7.049 67 HA LYS 31 HA LYS 31 -1.499 5.840 -7.307 68 1HB LYS 31 1HB LYS 31 -2.815 4.319 -5.014 69 2HB LYS 31 2HB LYS 31 -1.621 5.503 -4.702 70 1HG LYS 31 1HG LYS 31 -4.063 6.187 -6.363 71 2HG LYS 31 2HG LYS 31 -3.993 6.316 -4.599 72 1HD LYS 31 1HD LYS 31 -1.964 7.745 -4.784 73 2HD LYS 31 2HD LYS 31 -2.202 7.827 -6.545 74 1HE LYS 31 1HE LYS 31 -4.433 8.857 -6.131 75 2HE LYS 31 2HE LYS 31 -4.181 8.665 -4.377 76 1HZ LYS 31 1HZ LYS 31 -3.696 10.872 -5.122 77 2HZ LYS 31 2HZ LYS 31 -2.407 10.127 -4.409 78 3HZ LYS 31 3HZ LYS 31 -2.460 10.319 -6.064 79 H CYS 32 H CYS 32 -1.379 2.541 -5.885 80 HA CYS 32 HA CYS 32 1.474 2.839 -5.408 81 1HB CYS 32 1HB CYS 32 -0.004 0.280 -5.149 82 2HB CYS 32 2HB CYS 32 1.305 0.860 -4.154 83 H ILE 33 H ILE 33 -0.595 0.998 -7.631 84 HA ILE 33 HA ILE 33 1.215 -0.664 -8.807 85 HB ILE 33 HB ILE 33 -0.066 -0.706 -10.781 86 1HG1 ILE 33 1HG1 ILE 33 -1.676 1.750 -9.994 87 2HG1 ILE 33 2HG1 ILE 33 -0.335 1.830 -11.140 88 1HG2 ILE 33 1HG2 ILE 33 -1.051 -1.529 -8.551 89 2HG2 ILE 33 2HG2 ILE 33 -2.044 -0.048 -8.634 90 3HG2 ILE 33 3HG2 ILE 33 -2.209 -1.297 -9.867 91 1HD1 ILE 33 1HD1 ILE 33 -2.716 0.015 -11.575 92 2HD1 ILE 33 2HD1 ILE 33 -2.464 1.610 -12.305 93 3HD1 ILE 33 3HD1 ILE 33 -1.340 0.282 -12.655 94 H SER 34 H SER 34 0.967 2.777 -9.195 95 HA SER 34 HA SER 34 2.405 3.392 -11.431 96 1HB SER 34 1HB SER 34 1.277 4.942 -9.700 97 2HB SER 34 2HB SER 34 2.798 4.857 -8.798 98 HG SER 34 HG SER 34 3.775 5.513 -10.902 99 H CYS 35 H CYS 35 3.697 2.024 -8.416 100 HA CYS 35 HA CYS 35 6.308 1.761 -9.805 101 1HB CYS 35 1HB CYS 35 6.254 2.098 -6.792 102 2HB CYS 35 2HB CYS 35 7.586 2.242 -7.918 103 H HIS 36 H HIS 36 4.098 0.439 -7.272 104 HA HIS 36 HA HIS 36 5.613 -2.005 -7.048 105 1HB HIS 36 1HB HIS 36 2.857 -1.193 -6.095 106 2HB HIS 36 2HB HIS 36 3.601 -2.757 -5.751 107 HD1 HIS 36 1HD HIS 36 5.822 -2.757 -4.154 108 HD2 HIS 36 2HD HIS 36 3.731 0.890 -4.602 109 HE1 HIS 36 1HE HIS 36 6.577 -1.222 -2.266 110 H GLY 37 H GLY 37 3.398 -0.990 -9.501 111 1HA GLY 37 1HA GLY 37 2.980 -2.128 -11.443 112 2HA GLY 37 2HA GLY 37 3.537 -3.654 -10.740 113 H GLY 38 H GLY 38 1.162 -3.296 -12.299 114 1HA GLY 38 1HA GLY 38 -1.267 -2.816 -11.206 115 2HA GLY 38 2HA GLY 38 -0.975 -4.117 -12.352 116 H ASP 39 H ASP 39 0.387 -5.986 -11.008 117 HA ASP 39 HA ASP 39 -1.663 -7.124 -9.288 118 1HB ASP 39 1HB ASP 39 1.022 -8.199 -10.238 119 2HB ASP 39 2HB ASP 39 -0.240 -9.135 -9.424 120 H LEU 40 H LEU 40 0.943 -5.090 -8.622 121 HA LEU 40 HA LEU 40 2.056 -4.459 -6.784 122 1HB LEU 40 1HB LEU 40 0.036 -6.105 -5.230 123 2HB LEU 40 2HB LEU 40 1.019 -4.788 -4.619 124 HG LEU 40 HG LEU 40 -0.701 -4.162 -7.043 125 1HD1 LEU 40 1HD1 LEU 40 -2.208 -5.492 -5.672 126 2HD1 LEU 40 2HD1 LEU 40 -1.893 -4.424 -4.283 127 3HD1 LEU 40 3HD1 LEU 40 -2.661 -3.791 -5.770 128 1HD2 LEU 40 1HD2 LEU 40 -0.756 -2.007 -6.102 129 2HD2 LEU 40 2HD2 LEU 40 -0.116 -2.582 -4.548 130 3HD2 LEU 40 3HD2 LEU 40 0.915 -2.559 -5.992 131 H THR 41 H THR 41 2.661 -6.994 -8.222 132 HA THR 41 HA THR 41 4.065 -8.768 -6.455 133 HB THR 41 HB THR 41 4.832 -9.517 -8.840 134 HG1 THR 41 1HG THR 41 4.450 -7.665 -10.000 135 1HG2 THR 41 1HG2 THR 41 2.992 -10.658 -7.698 136 2HG2 THR 41 2HG2 THR 41 1.859 -9.369 -8.145 137 3HG2 THR 41 3HG2 THR 41 2.563 -10.401 -9.403 138 H GLY 42 H GLY 42 4.747 -5.580 -7.684 139 1HA GLY 42 1HA GLY 42 6.522 -4.421 -6.840 140 2HA GLY 42 2HA GLY 42 7.474 -5.895 -6.614 141 H ALA 43 H ALA 43 6.437 -3.484 -8.970 142 HA ALA 43 HA ALA 43 8.254 -4.556 -11.050 143 1HB ALA 43 1HB ALA 43 7.384 -2.647 -12.390 144 2HB ALA 43 2HB ALA 43 6.137 -3.775 -11.822 145 3HB ALA 43 3HB ALA 43 6.327 -2.205 -11.033 146 H SER 44 H SER 44 7.876 -1.155 -10.023 147 HA SER 44 HA SER 44 10.810 -0.766 -10.064 148 1HB SER 44 1HB SER 44 8.515 1.204 -9.790 149 2HB SER 44 2HB SER 44 10.219 1.617 -9.999 150 HG SER 44 HG SER 44 10.125 0.493 -12.022 151 H ALA 45 H ALA 45 8.758 -1.908 -7.795 152 HA ALA 45 HA ALA 45 10.197 -0.823 -5.469 153 1HB ALA 45 1HB ALA 45 8.031 -0.327 -4.371 154 2HB ALA 45 2HB ALA 45 8.217 0.666 -5.821 155 3HB ALA 45 3HB ALA 45 7.168 -0.754 -5.860 156 HA PRO 46 HA PRO 46 9.894 -5.128 -4.638 157 1HB PRO 46 1HB PRO 46 9.435 -5.397 -1.920 158 2HB PRO 46 2HB PRO 46 10.984 -4.858 -2.627 159 1HG PRO 46 1HG PRO 46 8.728 -3.138 -1.588 160 2HG PRO 46 2HG PRO 46 10.466 -3.030 -1.175 161 1HD PRO 46 1HD PRO 46 9.369 -1.415 -3.048 162 2HD PRO 46 2HD PRO 46 10.977 -2.129 -3.353 163 H ALA 47 H ALA 47 8.501 -6.925 -3.872 164 HA ALA 47 HA ALA 47 5.798 -6.617 -4.764 165 1HB ALA 47 1HB ALA 47 5.591 -8.964 -4.178 166 2HB ALA 47 2HB ALA 47 7.203 -8.740 -4.884 167 3HB ALA 47 3HB ALA 47 7.022 -8.893 -3.132 168 H ILE 48 H ILE 48 4.146 -5.747 -3.603 169 HA ILE 48 HA ILE 48 4.288 -6.025 -0.634 170 HB ILE 48 HB ILE 48 3.202 -3.934 -0.252 171 1HG1 ILE 48 1HG1 ILE 48 3.357 -2.182 -2.125 172 2HG1 ILE 48 2HG1 ILE 48 3.303 -3.541 -3.248 173 1HG2 ILE 48 1HG2 ILE 48 5.652 -4.149 -0.216 174 2HG2 ILE 48 2HG2 ILE 48 5.711 -3.654 -1.918 175 3HG2 ILE 48 3HG2 ILE 48 5.124 -2.528 -0.684 176 1HD1 ILE 48 1HD1 ILE 48 1.091 -2.426 -2.724 177 2HD1 ILE 48 2HD1 ILE 48 1.062 -4.150 -2.290 178 3HD1 ILE 48 3HD1 ILE 48 1.264 -2.901 -1.037 179 H ASP 49 H ASP 49 2.688 -7.146 -3.310 180 HA ASP 49 HA ASP 49 0.082 -7.552 -2.514 181 1HB ASP 49 1HB ASP 49 0.299 -9.779 -3.541 182 2HB ASP 49 2HB ASP 49 1.163 -8.570 -4.527 183 H LYS 50 H LYS 50 2.956 -9.126 -1.189 184 HA LYS 50 HA LYS 50 1.378 -10.440 0.978 185 1HB LYS 50 1HB LYS 50 4.209 -10.890 -0.034 186 2HB LYS 50 2HB LYS 50 3.510 -11.723 1.360 187 1HG LYS 50 1HG LYS 50 2.512 -11.900 -1.512 188 2HG LYS 50 2HG LYS 50 3.385 -13.133 -0.603 189 1HD LYS 50 1HD LYS 50 1.436 -13.074 1.091 190 2HD LYS 50 2HD LYS 50 0.553 -12.106 -0.109 191 1HE LYS 50 1HE LYS 50 0.815 -13.951 -1.770 192 2HE LYS 50 2HE LYS 50 1.608 -14.923 -0.512 193 1HZ LYS 50 1HZ LYS 50 -0.714 -15.498 -0.545 194 2HZ LYS 50 2HZ LYS 50 -0.453 -14.597 0.830 195 3HZ LYS 50 3HZ LYS 50 -1.205 -13.936 -0.360 196 H ALA 51 H ALA 51 2.541 -7.478 0.727 197 HA ALA 51 HA ALA 51 4.105 -7.109 3.072 198 1HB ALA 51 1HB ALA 51 3.767 -5.392 1.395 199 2HB ALA 51 2HB ALA 51 2.043 -5.255 1.830 200 3HB ALA 51 3HB ALA 51 3.291 -4.813 3.009 201 H GLY 52 H GLY 52 0.481 -7.461 2.616 202 1HA GLY 52 1HA GLY 52 -0.188 -6.961 5.311 203 2HA GLY 52 2HA GLY 52 -1.060 -8.005 4.172 204 H ALA 53 H ALA 53 1.383 -9.785 3.848 205 HA ALA 53 HA ALA 53 0.785 -11.567 6.084 206 1HB ALA 53 1HB ALA 53 3.022 -12.088 4.132 207 2HB ALA 53 2HB ALA 53 1.867 -13.203 4.881 208 3HB ALA 53 3HB ALA 53 1.360 -12.162 3.542 209 H ASN 54 H ASN 54 3.570 -9.717 4.845 210 HA ASN 54 HA ASN 54 5.362 -10.572 6.971 211 1HB ASN 54 1HB ASN 54 5.508 -8.432 4.811 212 2HB ASN 54 2HB ASN 54 6.742 -8.571 6.062 213 1HD2 ASN 54 1HD2 ASN 54 5.619 -9.933 3.059 214 2HD2 ASN 54 2HD2 ASN 54 6.876 -11.161 2.985 215 H TYR 55 H TYR 55 3.446 -7.643 6.390 216 HA TYR 55 HA TYR 55 4.281 -6.468 9.001 217 1HB TYR 55 1HB TYR 55 3.618 -5.035 6.400 218 2HB TYR 55 2HB TYR 55 4.207 -4.314 7.893 219 HD1 TYR 55 1HD TYR 55 5.284 -4.200 4.918 220 HD2 TYR 55 2HD TYR 55 6.497 -6.232 8.530 221 HE1 TYR 55 1HE TYR 55 7.667 -4.049 4.224 222 HE2 TYR 55 2HE TYR 55 8.846 -6.085 7.825 223 HH TYR 55 HH TYR 55 10.327 -5.218 6.288 224 H SER 56 H SER 56 2.679 -5.043 9.934 225 HA SER 56 HA SER 56 -0.051 -6.087 9.522 226 1HB SER 56 1HB SER 56 1.115 -4.243 11.644 227 2HB SER 56 2HB SER 56 -0.501 -4.985 11.668 228 HG SER 56 HG SER 56 0.550 -7.028 11.632 229 H GLU 57 H GLU 57 -1.857 -4.509 9.717 230 HA GLU 57 HA GLU 57 -1.924 -2.670 7.595 231 1HB GLU 57 1HB GLU 57 -3.984 -1.796 8.762 232 2HB GLU 57 2HB GLU 57 -4.007 -3.495 8.341 233 1HG GLU 57 1HG GLU 57 -3.216 -2.658 11.158 234 2HG GLU 57 2HG GLU 57 -4.896 -2.706 10.644 235 H GLU 58 H GLU 58 -1.215 -2.086 11.077 236 HA GLU 58 HA GLU 58 -0.977 0.702 10.947 237 1HB GLU 58 1HB GLU 58 0.546 0.472 12.915 238 2HB GLU 58 2HB GLU 58 -1.034 -0.295 13.077 239 1HG GLU 58 1HG GLU 58 -0.056 -2.516 12.686 240 2HG GLU 58 2HG GLU 58 1.554 -1.789 12.458 241 H GLU 59 H GLU 59 1.617 -1.712 10.356 242 HA GLU 59 HA GLU 59 3.735 0.125 9.878 243 1HB GLU 59 1HB GLU 59 3.118 -2.665 8.849 244 2HB GLU 59 2HB GLU 59 4.644 -1.851 8.504 245 1HG GLU 59 1HG GLU 59 3.716 -2.205 11.381 246 2HG GLU 59 2HG GLU 59 4.538 -3.505 10.506 247 H ILE 60 H ILE 60 1.424 -1.451 7.668 248 HA ILE 60 HA ILE 60 2.541 -0.372 5.254 249 HB ILE 60 HB ILE 60 -0.193 -1.491 5.907 250 1HG1 ILE 60 1HG1 ILE 60 2.142 -2.804 4.447 251 2HG1 ILE 60 2HG1 ILE 60 1.870 -2.972 6.181 252 1HG2 ILE 60 1HG2 ILE 60 -0.358 -1.887 3.394 253 2HG2 ILE 60 2HG2 ILE 60 -0.540 -0.223 3.940 254 3HG2 ILE 60 3HG2 ILE 60 0.992 -0.753 3.212 255 1HD1 ILE 60 1HD1 ILE 60 -0.494 -3.826 5.588 256 2HD1 ILE 60 2HD1 ILE 60 0.185 -4.071 3.958 257 3HD1 ILE 60 3HD1 ILE 60 0.910 -4.879 5.354 258 H LEU 61 H LEU 61 -0.257 0.587 7.238 259 HA LEU 61 HA LEU 61 -1.154 2.903 5.966 260 1HB LEU 61 1HB LEU 61 -2.129 1.819 7.994 261 2HB LEU 61 2HB LEU 61 -0.787 2.353 8.955 262 HG LEU 61 HG LEU 61 -1.357 4.720 8.535 263 1HD1 LEU 61 1HD1 LEU 61 -3.417 3.463 6.772 264 2HD1 LEU 61 2HD1 LEU 61 -3.948 4.849 7.739 265 3HD1 LEU 61 3HD1 LEU 61 -2.580 5.019 6.630 266 1HD2 LEU 61 1HD2 LEU 61 -2.097 3.577 10.547 267 2HD2 LEU 61 2HD2 LEU 61 -3.286 4.777 10.019 268 3HD2 LEU 61 3HD2 LEU 61 -3.585 3.046 9.726 269 H ASP 62 H ASP 62 1.333 2.601 8.564 270 HA ASP 62 HA ASP 62 1.943 5.358 8.639 271 1HB ASP 62 1HB ASP 62 2.613 3.773 10.417 272 2HB ASP 62 2HB ASP 62 3.787 3.026 9.315 273 H ILE 63 H ILE 63 3.378 2.673 6.780 274 HA ILE 63 HA ILE 63 5.479 4.243 5.595 275 HB ILE 63 HB ILE 63 4.182 1.573 5.080 276 1HG1 ILE 63 1HG1 ILE 63 7.123 2.327 5.178 277 2HG1 ILE 63 2HG1 ILE 63 6.158 2.155 6.653 278 1HG2 ILE 63 1HG2 ILE 63 5.674 1.240 3.081 279 2HG2 ILE 63 2HG2 ILE 63 4.242 2.222 2.823 280 3HG2 ILE 63 3HG2 ILE 63 5.850 2.993 2.984 281 1HD1 ILE 63 1HD1 ILE 63 7.358 0.085 6.176 282 2HD1 ILE 63 2HD1 ILE 63 5.603 -0.164 6.095 283 3HD1 ILE 63 3HD1 ILE 63 6.564 -0.060 4.603 284 H ILE 64 H ILE 64 2.141 3.562 4.464 285 HA ILE 64 HA ILE 64 2.393 4.972 1.982 286 HB ILE 64 HB ILE 64 0.011 4.411 3.773 287 1HG1 ILE 64 1HG1 ILE 64 0.781 3.136 1.121 288 2HG1 ILE 64 2HG1 ILE 64 1.416 2.517 2.641 289 1HG2 ILE 64 1HG2 ILE 64 -1.357 4.878 1.714 290 2HG2 ILE 64 2HG2 ILE 64 -0.600 6.317 2.387 291 3HG2 ILE 64 3HG2 ILE 64 0.098 5.548 0.947 292 1HD1 ILE 64 1HD1 ILE 64 -0.509 1.229 2.155 293 2HD1 ILE 64 2HD1 ILE 64 -0.942 2.283 3.506 294 3HD1 ILE 64 3HD1 ILE 64 -1.506 2.666 1.862 295 H LEU 65 H LEU 65 1.271 6.046 5.208 296 HA LEU 65 HA LEU 65 0.741 8.742 4.400 297 1HB LEU 65 1HB LEU 65 1.343 7.490 7.090 298 2HB LEU 65 2HB LEU 65 0.807 9.161 6.877 299 HG LEU 65 HG LEU 65 -0.903 6.777 5.968 300 1HD1 LEU 65 1HD1 LEU 65 -1.045 8.441 8.535 301 2HD1 LEU 65 2HD1 LEU 65 -2.133 7.119 8.068 302 3HD1 LEU 65 3HD1 LEU 65 -0.434 6.782 8.460 303 1HD2 LEU 65 1HD2 LEU 65 -1.509 9.707 6.447 304 2HD2 LEU 65 2HD2 LEU 65 -1.450 8.867 4.871 305 3HD2 LEU 65 3HD2 LEU 65 -2.694 8.442 6.062 306 H ASN 66 H ASN 66 3.664 7.163 5.593 307 HA ASN 66 HA ASN 66 5.100 9.689 6.075 308 1HB ASN 66 1HB ASN 66 5.720 6.748 6.592 309 2HB ASN 66 2HB ASN 66 6.934 7.974 6.740 310 1HD2 ASN 66 1HD2 ASN 66 3.700 7.169 7.874 311 2HD2 ASN 66 2HD2 ASN 66 4.051 7.459 9.541 312 H GLY 67 H GLY 67 5.701 6.674 4.212 313 1HA GLY 67 1HA GLY 67 6.716 6.745 1.990 314 2HA GLY 67 2HA GLY 67 7.724 8.096 2.517 315 H GLN 68 H GLN 68 7.501 4.681 2.307 316 HA GLN 68 HA GLN 68 9.680 3.925 4.029 317 1HB GLN 68 1HB GLN 68 8.321 2.121 2.837 318 2HB GLN 68 2HB GLN 68 8.705 2.909 1.322 319 1HG GLN 68 1HG GLN 68 9.823 0.855 1.780 320 2HG GLN 68 2HG GLN 68 10.973 2.155 1.405 321 1HE2 GLN 68 1HE2 GLN 68 10.829 -0.632 2.959 322 2HE2 GLN 68 2HE2 GLN 68 11.775 -0.230 4.382 323 H GLY 69 H GLY 69 11.986 3.775 3.327 324 1HA GLY 69 1HA GLY 69 13.256 5.999 2.689 325 2HA GLY 69 2HA GLY 69 13.904 4.439 2.172 326 H GLY 70 H GLY 70 12.736 3.674 -0.045 327 1HA GLY 70 1HA GLY 70 13.402 5.776 -2.005 328 2HA GLY 70 2HA GLY 70 13.130 4.063 -2.310 329 H MET 71 H MET 71 10.689 5.619 -0.400 330 HA MET 71 HA MET 71 8.801 5.641 -2.708 331 1HB MET 71 1HB MET 71 8.612 3.791 -1.065 332 2HB MET 71 2HB MET 71 8.423 4.964 0.227 333 1HG MET 71 1HG MET 71 6.352 5.695 -0.477 334 2HG MET 71 2HG MET 71 6.434 4.856 -2.025 335 1HE MET 71 1HE MET 71 3.902 4.494 -0.602 336 2HE MET 71 2HE MET 71 3.766 3.303 0.712 337 3HE MET 71 3HE MET 71 4.571 4.860 1.005 338 HA PRO 72 HA PRO 72 8.660 9.922 -1.613 339 1HB PRO 72 1HB PRO 72 6.317 10.798 -2.770 340 2HB PRO 72 2HB PRO 72 7.777 10.343 -3.697 341 1HG PRO 72 1HG PRO 72 5.380 8.602 -3.080 342 2HG PRO 72 2HG PRO 72 6.147 8.878 -4.672 343 1HD PRO 72 1HD PRO 72 6.762 6.690 -3.237 344 2HD PRO 72 2HD PRO 72 8.082 7.610 -4.024 345 H GLY 73 H GLY 73 5.727 8.057 -0.912 346 1HA GLY 73 1HA GLY 73 4.563 7.919 1.091 347 2HA GLY 73 2HA GLY 73 5.591 9.188 1.780 348 H GLY 74 H GLY 74 2.865 9.107 2.180 349 1HA GLY 74 1HA GLY 74 1.031 10.490 2.207 350 2HA GLY 74 2HA GLY 74 2.017 11.769 1.470 351 H ILE 75 H ILE 75 1.780 8.648 -0.094 352 HA ILE 75 HA ILE 75 0.751 9.763 -2.529 353 HB ILE 75 HB ILE 75 1.307 6.976 -1.472 354 1HG1 ILE 75 1HG1 ILE 75 3.140 8.531 -2.235 355 2HG1 ILE 75 2HG1 ILE 75 3.082 6.947 -3.024 356 1HG2 ILE 75 1HG2 ILE 75 -0.605 6.576 -2.880 357 2HG2 ILE 75 2HG2 ILE 75 0.087 7.580 -4.174 358 3HG2 ILE 75 3HG2 ILE 75 0.856 6.050 -3.728 359 1HD1 ILE 75 1HD1 ILE 75 2.108 7.930 -5.052 360 2HD1 ILE 75 2HD1 ILE 75 2.034 9.527 -4.283 361 3HD1 ILE 75 3HD1 ILE 75 3.591 8.772 -4.621 362 H ALA 76 H ALA 76 -0.724 8.329 0.312 363 HA ALA 76 HA ALA 76 -3.340 9.083 -0.690 364 1HB ALA 76 1HB ALA 76 -3.413 6.695 -1.137 365 2HB ALA 76 2HB ALA 76 -2.555 6.321 0.372 366 3HB ALA 76 3HB ALA 76 -4.215 6.901 0.437 367 H LYS 77 H LYS 77 -4.766 9.574 1.194 368 HA LYS 77 HA LYS 77 -3.419 9.404 3.827 369 1HB LYS 77 1HB LYS 77 -2.916 11.661 2.533 370 2HB LYS 77 2HB LYS 77 -4.525 12.121 3.116 371 1HG LYS 77 1HG LYS 77 -3.729 11.585 5.468 372 2HG LYS 77 2HG LYS 77 -2.171 11.124 4.767 373 1HD LYS 77 1HD LYS 77 -2.468 13.708 3.797 374 2HD LYS 77 2HD LYS 77 -3.338 13.797 5.327 375 1HE LYS 77 1HE LYS 77 -1.115 14.369 5.918 376 2HE LYS 77 2HE LYS 77 -1.278 12.687 6.428 377 1HZ LYS 77 1HZ LYS 77 0.770 12.976 5.276 378 2HZ LYS 77 2HZ LYS 77 -0.194 12.086 4.293 379 3HZ LYS 77 3HZ LYS 77 0.044 13.682 3.984 380 H GLY 78 H GLY 78 -4.659 9.661 5.690 381 1HA GLY 78 1HA GLY 78 -6.502 9.348 6.992 382 2HA GLY 78 2HA GLY 78 -7.415 10.276 5.786 383 H ALA 79 H ALA 79 -9.218 9.004 5.636 384 HA ALA 79 HA ALA 79 -9.660 6.356 5.714 385 1HB ALA 79 1HB ALA 79 -11.426 8.017 5.391 386 2HB ALA 79 2HB ALA 79 -10.910 8.270 3.706 387 3HB ALA 79 3HB ALA 79 -11.576 6.702 4.211 388 H GLU 80 H GLU 80 -8.160 8.033 2.969 389 HA GLU 80 HA GLU 80 -8.277 5.941 1.034 390 1HB GLU 80 1HB GLU 80 -7.685 8.503 0.910 391 2HB GLU 80 2HB GLU 80 -6.078 7.966 1.377 392 1HG GLU 80 1HG GLU 80 -6.095 6.520 -0.733 393 2HG GLU 80 2HG GLU 80 -7.621 7.303 -1.153 394 H ALA 81 H ALA 81 -5.619 6.902 3.356 395 HA ALA 81 HA ALA 81 -3.946 4.680 2.582 396 1HB ALA 81 1HB ALA 81 -3.810 6.536 4.987 397 2HB ALA 81 2HB ALA 81 -2.519 5.462 4.389 398 3HB ALA 81 3HB ALA 81 -3.052 6.833 3.406 399 H GLU 82 H GLU 82 -6.230 5.392 5.245 400 HA GLU 82 HA GLU 82 -5.741 3.077 6.839 401 1HB GLU 82 1HB GLU 82 -8.262 4.721 6.405 402 2HB GLU 82 2HB GLU 82 -8.047 3.542 7.699 403 1HG GLU 82 1HG GLU 82 -6.301 4.830 8.727 404 2HG GLU 82 2HG GLU 82 -6.177 5.935 7.355 405 H ALA 83 H ALA 83 -8.093 3.670 4.188 406 HA ALA 83 HA ALA 83 -9.249 1.104 4.081 407 1HB ALA 83 1HB ALA 83 -10.177 3.004 2.862 408 2HB ALA 83 2HB ALA 83 -8.741 3.083 1.813 409 3HB ALA 83 3HB ALA 83 -9.828 1.691 1.750 410 H VAL 84 H VAL 84 -6.335 2.410 2.318 411 HA VAL 84 HA VAL 84 -5.664 -0.035 1.096 412 HB VAL 84 HB VAL 84 -3.606 1.893 2.262 413 1HG1 VAL 84 1HG1 VAL 84 -3.531 -0.638 0.627 414 2HG1 VAL 84 2HG1 VAL 84 -2.363 0.612 0.268 415 3HG1 VAL 84 3HG1 VAL 84 -2.437 -0.078 1.891 416 1HG2 VAL 84 1HG2 VAL 84 -4.699 3.216 0.676 417 2HG2 VAL 84 2HG2 VAL 84 -3.344 2.516 -0.203 418 3HG2 VAL 84 3HG2 VAL 84 -4.992 1.858 -0.418 419 H ALA 85 H ALA 85 -4.523 1.161 4.305 420 HA ALA 85 HA ALA 85 -2.852 -0.895 5.011 421 1HB ALA 85 1HB ALA 85 -3.300 1.203 6.245 422 2HB ALA 85 2HB ALA 85 -4.806 0.519 6.889 423 3HB ALA 85 3HB ALA 85 -3.258 -0.222 7.301 424 H ALA 86 H ALA 86 -6.359 -0.775 5.773 425 HA ALA 86 HA ALA 86 -6.543 -3.378 6.915 426 1HB ALA 86 1HB ALA 86 -8.662 -1.757 5.430 427 2HB ALA 86 2HB ALA 86 -8.963 -3.146 6.498 428 3HB ALA 86 3HB ALA 86 -8.279 -1.647 7.161 429 H TRP 87 H TRP 87 -7.291 -2.285 3.556 430 HA TRP 87 HA TRP 87 -8.090 -4.831 2.589 431 1HB TRP 87 1HB TRP 87 -8.688 -2.788 1.515 432 2HB TRP 87 2HB TRP 87 -6.976 -2.361 1.306 433 HD1 TRP 87 HD TRP 87 -9.644 -4.583 -0.361 434 HE1 TRP 87 1HE TRP 87 -8.694 -5.494 -2.544 435 HE3 TRP 87 3HE TRP 87 -5.015 -2.423 -0.177 436 HZ2 TRP 87 2HZ TRP 87 -5.171 -5.240 -2.901 437 HZ3 TRP 87 3HZ TRP 87 -3.664 -2.445 -2.266 438 HH2 TRP 87 HH TRP 87 -4.549 -3.434 -4.337 439 H LEU 88 H LEU 88 -4.882 -3.290 2.658 440 HA LEU 88 HA LEU 88 -3.587 -5.297 1.102 441 1HB LEU 88 1HB LEU 88 -2.887 -2.759 1.893 442 2HB LEU 88 2HB LEU 88 -1.865 -3.740 2.908 443 HG LEU 88 HG LEU 88 -1.025 -2.970 0.664 444 1HD1 LEU 88 1HD1 LEU 88 -0.281 -5.201 1.968 445 2HD1 LEU 88 2HD1 LEU 88 -0.898 -5.955 0.477 446 3HD1 LEU 88 3HD1 LEU 88 0.356 -4.684 0.396 447 1HD2 LEU 88 1HD2 LEU 88 -2.759 -2.987 -0.546 448 2HD2 LEU 88 2HD2 LEU 88 -1.442 -3.830 -1.374 449 3HD2 LEU 88 3HD2 LEU 88 -2.833 -4.766 -0.783 450 H ALA 89 H ALA 89 -3.840 -4.657 4.608 451 HA ALA 89 HA ALA 89 -2.413 -6.899 5.593 452 1HB ALA 89 1HB ALA 89 -3.149 -5.135 7.030 453 2HB ALA 89 2HB ALA 89 -4.859 -5.527 6.736 454 3HB ALA 89 3HB ALA 89 -3.815 -6.679 7.589 455 H GLU 90 H GLU 90 -5.747 -6.598 4.408 456 HA GLU 90 HA GLU 90 -6.487 -9.330 4.895 457 1HB GLU 90 1HB GLU 90 -7.973 -7.389 4.880 458 2HB GLU 90 2HB GLU 90 -7.686 -7.135 3.173 459 1HG GLU 90 1HG GLU 90 -8.622 -9.881 3.642 460 2HG GLU 90 2HG GLU 90 -9.719 -8.688 4.340 461 H LYS 91 H LYS 91 -4.476 -7.963 2.397 462 HA LYS 91 HA LYS 91 -5.566 -9.516 0.206 463 1HB LYS 91 1HB LYS 91 -4.299 -7.135 0.558 464 2HB LYS 91 2HB LYS 91 -2.946 -8.051 -0.033 465 1HG LYS 91 1HG LYS 91 -5.721 -7.750 -1.331 466 2HG LYS 91 2HG LYS 91 -4.337 -6.700 -1.630 467 1HD LYS 91 1HD LYS 91 -4.427 -9.670 -2.310 468 2HD LYS 91 2HD LYS 91 -4.626 -8.313 -3.432 469 1HE LYS 91 1HE LYS 91 -2.319 -7.487 -2.459 470 2HE LYS 91 2HE LYS 91 -2.122 -9.140 -1.879 471 1HZ LYS 91 1HZ LYS 91 -2.268 -9.888 -4.153 472 2HZ LYS 91 2HZ LYS 91 -2.646 -8.383 -4.710 473 3HZ LYS 91 3HZ LYS 91 -1.160 -8.676 -4.109 474 H LYS 92 H LYS 92 -3.800 -10.572 2.604 475 HA LYS 92 HA LYS 92 -1.215 -10.930 1.552 476 1HB LYS 92 1HB LYS 92 -0.744 -11.654 3.805 477 2HB LYS 92 2HB LYS 92 -1.680 -10.156 3.651 478 1HG LYS 92 1HG LYS 92 -3.736 -11.315 4.366 479 2HG LYS 92 2HG LYS 92 -2.912 -12.884 4.308 480 1HD LYS 92 1HD LYS 92 -1.506 -12.279 6.174 481 2HD LYS 92 2HD LYS 92 -2.028 -10.582 6.084 482 1HE LYS 92 1HE LYS 92 -4.269 -11.103 6.782 483 2HE LYS 92 2HE LYS 92 -3.950 -12.847 6.739 484 1HZ LYS 92 1HZ LYS 92 -2.576 -10.928 8.509 485 2HZ LYS 92 2HZ LYS 92 -3.846 -11.871 8.963 486 3HZ LYS 92 3HZ LYS 92 -2.418 -12.567 8.535 487 HHA HEC 93 HHA HEC 93 8.746 -0.367 0.387 488 HHB HEC 93 HHB HEC 93 2.351 -0.201 0.807 489 HHC HEC 93 HHC HEC 93 2.365 4.215 -3.922 490 HHD HEC 93 HHD HEC 93 8.636 3.268 -4.784 491 1HMA HEC 93 1HMA HEC 93 3.187 -1.145 2.712 492 2HMA HEC 93 2HMA HEC 93 4.059 -2.620 2.235 493 3HMA HEC 93 3HMA HEC 93 4.681 -1.579 3.533 494 1HAA HEC 93 1HAA HEC 93 6.939 -2.019 3.140 495 2HAA HEC 93 2HAA HEC 93 8.092 -0.823 2.636 496 1HBA HEC 93 1HBA HEC 93 7.940 -2.347 0.409 497 2HBA HEC 93 2HBA HEC 93 7.529 -3.588 1.592 498 1HMB HEC 93 1HMB HEC 93 0.347 0.103 0.290 499 2HMB HEC 93 2HMB HEC 93 -0.557 1.525 -0.186 500 3HMB HEC 93 3HMB HEC 93 -0.361 0.163 -1.313 501 HAB HEC 93 HAB HEC 93 0.384 3.800 -3.459 502 1HBB HEC 93 1HBB HEC 93 -0.177 4.739 -1.265 503 2HBB HEC 93 2HBB HEC 93 -1.591 4.404 -2.285 504 3HBB HEC 93 3HBB HEC 93 -1.217 3.353 -0.929 505 1HMC HEC 93 1HMC HEC 93 3.281 4.535 -6.531 506 2HMC HEC 93 2HMC HEC 93 3.149 5.848 -5.347 507 3HMC HEC 93 3HMC HEC 93 4.372 5.930 -6.618 508 HAC HEC 93 HAC HEC 93 7.955 4.319 -6.446 509 1HBC HEC 93 1HBC HEC 93 7.469 6.597 -7.501 510 2HBC HEC 93 2HBC HEC 93 6.364 6.852 -6.131 511 3HBC HEC 93 3HBC HEC 93 8.090 6.509 -5.859 512 1HMD HEC 93 1HMD HEC 93 11.360 2.514 -3.837 513 2HMD HEC 93 2HMD HEC 93 11.263 0.746 -4.021 514 3HMD HEC 93 3HMD HEC 93 10.215 1.769 -4.987 515 1HAD HEC 93 1HAD HEC 93 10.966 -0.764 -1.242 516 2HAD HEC 93 2HAD HEC 93 10.708 0.305 0.026 517 1HBD HEC 93 1HBD HEC 93 12.771 0.932 -0.186 518 2HBD HEC 93 2HBD HEC 93 11.982 2.133 -1.169 Start of MODEL 24 1 1H VAL 22 1H VAL 22 -14.175 3.817 0.782 2 2H VAL 22 2H VAL 22 -12.839 3.917 1.746 3 3H VAL 22 3H VAL 22 -13.826 5.264 1.546 4 HA VAL 22 HA VAL 22 -13.355 5.123 -0.819 5 HB VAL 22 HB VAL 22 -10.755 5.319 0.767 6 1HG1 VAL 22 1HG1 VAL 22 -10.151 6.873 -1.084 7 2HG1 VAL 22 2HG1 VAL 22 -10.532 5.264 -1.711 8 3HG1 VAL 22 3HG1 VAL 22 -11.720 6.571 -1.853 9 1HG2 VAL 22 1HG2 VAL 22 -12.363 6.813 1.856 10 2HG2 VAL 22 2HG2 VAL 22 -11.255 7.770 0.869 11 3HG2 VAL 22 3HG2 VAL 22 -12.895 7.442 0.277 12 H ASP 23 H ASP 23 -13.116 3.592 -2.185 13 HA ASP 23 HA ASP 23 -12.753 0.993 -1.615 14 1HB ASP 23 1HB ASP 23 -12.501 2.352 -4.327 15 2HB ASP 23 2HB ASP 23 -12.936 0.659 -4.047 16 H ALA 24 H ALA 24 -10.913 0.404 -0.654 17 HA ALA 24 HA ALA 24 -8.443 1.397 -0.819 18 1HB ALA 24 1HB ALA 24 -9.201 -0.272 0.851 19 2HB ALA 24 2HB ALA 24 -9.108 -1.534 -0.389 20 3HB ALA 24 3HB ALA 24 -7.631 -0.678 0.125 21 H GLU 25 H GLU 25 -9.527 -1.456 -2.732 22 HA GLU 25 HA GLU 25 -7.025 -1.754 -4.037 23 1HB GLU 25 1HB GLU 25 -7.910 -3.446 -5.216 24 2HB GLU 25 2HB GLU 25 -9.093 -3.391 -3.909 25 1HG GLU 25 1HG GLU 25 -10.567 -2.007 -5.421 26 2HG GLU 25 2HG GLU 25 -9.359 -2.233 -6.729 27 H ALA 26 H ALA 26 -9.869 0.343 -4.770 28 HA ALA 26 HA ALA 26 -9.059 0.945 -7.451 29 1HB ALA 26 1HB ALA 26 -10.666 2.747 -5.603 30 2HB ALA 26 2HB ALA 26 -10.654 2.733 -7.369 31 3HB ALA 26 3HB ALA 26 -11.358 1.362 -6.487 32 H VAL 27 H VAL 27 -8.437 2.520 -4.316 33 HA VAL 27 HA VAL 27 -6.595 4.646 -5.193 34 HB VAL 27 HB VAL 27 -6.545 2.907 -2.666 35 1HG1 VAL 27 1HG1 VAL 27 -4.442 4.227 -3.109 36 2HG1 VAL 27 2HG1 VAL 27 -5.443 5.703 -3.018 37 3HG1 VAL 27 3HG1 VAL 27 -5.291 4.639 -1.618 38 1HG2 VAL 27 1HG2 VAL 27 -7.928 5.577 -3.121 39 2HG2 VAL 27 2HG2 VAL 27 -8.730 4.022 -2.825 40 3HG2 VAL 27 3HG2 VAL 27 -7.743 4.754 -1.558 41 H VAL 28 H VAL 28 -5.821 1.266 -4.075 42 HA VAL 28 HA VAL 28 -3.151 1.774 -4.708 43 HB VAL 28 HB VAL 28 -4.751 -0.753 -4.248 44 1HG1 VAL 28 1HG1 VAL 28 -1.946 -0.461 -5.118 45 2HG1 VAL 28 2HG1 VAL 28 -2.176 -1.509 -3.726 46 3HG1 VAL 28 3HG1 VAL 28 -3.042 -1.828 -5.253 47 1HG2 VAL 28 1HG2 VAL 28 -2.753 0.038 -2.252 48 2HG2 VAL 28 2HG2 VAL 28 -3.833 1.375 -2.588 49 3HG2 VAL 28 3HG2 VAL 28 -4.515 -0.162 -2.093 50 H GLN 29 H GLN 29 -5.518 0.131 -6.631 51 HA GLN 29 HA GLN 29 -4.062 -0.563 -8.936 52 1HB GLN 29 1HB GLN 29 -7.003 -0.018 -8.408 53 2HB GLN 29 2HB GLN 29 -6.451 -0.611 -9.938 54 1HG GLN 29 1HG GLN 29 -6.033 -2.087 -7.314 55 2HG GLN 29 2HG GLN 29 -7.253 -2.431 -8.538 56 1HE2 GLN 29 1HE2 GLN 29 -4.085 -3.158 -7.488 57 2HE2 GLN 29 2HE2 GLN 29 -3.515 -3.971 -8.930 58 H GLN 30 H GLN 30 -4.786 2.619 -7.830 59 HA GLN 30 HA GLN 30 -3.886 3.617 -10.478 60 1HB GLN 30 1HB GLN 30 -6.459 4.037 -9.286 61 2HB GLN 30 2HB GLN 30 -5.595 5.553 -9.100 62 1HG GLN 30 1HG GLN 30 -5.142 5.644 -11.512 63 2HG GLN 30 2HG GLN 30 -5.695 3.974 -11.725 64 1HE2 GLN 30 1HE2 GLN 30 -7.016 7.092 -10.425 65 2HE2 GLN 30 2HE2 GLN 30 -8.591 6.849 -11.168 66 H LYS 31 H LYS 31 -2.905 3.199 -7.423 67 HA LYS 31 HA LYS 31 -1.457 5.827 -7.280 68 1HB LYS 31 1HB LYS 31 -2.874 4.220 -5.122 69 2HB LYS 31 2HB LYS 31 -1.812 5.501 -4.739 70 1HG LYS 31 1HG LYS 31 -4.128 6.079 -6.591 71 2HG LYS 31 2HG LYS 31 -4.272 6.077 -4.837 72 1HD LYS 31 1HD LYS 31 -2.382 7.666 -4.651 73 2HD LYS 31 2HD LYS 31 -2.337 7.819 -6.419 74 1HE LYS 31 1HE LYS 31 -4.501 8.877 -6.431 75 2HE LYS 31 2HE LYS 31 -4.856 8.358 -4.774 76 1HZ LYS 31 1HZ LYS 31 -3.107 9.782 -3.962 77 2HZ LYS 31 2HZ LYS 31 -2.818 10.336 -5.491 78 3HZ LYS 31 3HZ LYS 31 -4.271 10.621 -4.768 79 H CYS 32 H CYS 32 -1.441 2.446 -5.985 80 HA CYS 32 HA CYS 32 1.423 2.798 -5.381 81 1HB CYS 32 1HB CYS 32 -0.049 0.256 -4.857 82 2HB CYS 32 2HB CYS 32 1.244 0.969 -3.957 83 H ILE 33 H ILE 33 -0.710 0.830 -7.427 84 HA ILE 33 HA ILE 33 1.200 -0.906 -8.486 85 HB ILE 33 HB ILE 33 -0.230 -1.150 -10.416 86 1HG1 ILE 33 1HG1 ILE 33 -2.474 0.042 -10.371 87 2HG1 ILE 33 2HG1 ILE 33 -1.676 1.350 -9.484 88 1HG2 ILE 33 1HG2 ILE 33 -2.194 -1.953 -9.269 89 2HG2 ILE 33 2HG2 ILE 33 -0.774 -2.253 -8.271 90 3HG2 ILE 33 3HG2 ILE 33 -1.867 -0.934 -7.861 91 1HD1 ILE 33 1HD1 ILE 33 -1.936 1.632 -11.974 92 2HD1 ILE 33 2HD1 ILE 33 -0.249 1.735 -11.489 93 3HD1 ILE 33 3HD1 ILE 33 -0.868 0.242 -12.226 94 H SER 34 H SER 34 0.794 2.477 -9.082 95 HA SER 34 HA SER 34 2.049 2.940 -11.488 96 1HB SER 34 1HB SER 34 0.977 4.583 -9.863 97 2HB SER 34 2HB SER 34 2.514 4.600 -8.983 98 HG SER 34 HG SER 34 2.293 6.268 -10.587 99 H CYS 35 H CYS 35 3.603 2.025 -8.387 100 HA CYS 35 HA CYS 35 6.190 1.732 -9.888 101 1HB CYS 35 1HB CYS 35 6.084 2.136 -6.897 102 2HB CYS 35 2HB CYS 35 7.443 2.231 -7.986 103 H HIS 36 H HIS 36 3.971 0.308 -7.442 104 HA HIS 36 HA HIS 36 5.635 -2.040 -7.139 105 1HB HIS 36 1HB HIS 36 2.837 -1.353 -6.208 106 2HB HIS 36 2HB HIS 36 3.672 -2.861 -5.831 107 HD1 HIS 36 1HD HIS 36 5.875 -2.721 -4.227 108 HD2 HIS 36 2HD HIS 36 3.623 0.830 -4.756 109 HE1 HIS 36 1HE HIS 36 6.548 -1.121 -2.383 110 H GLY 37 H GLY 37 3.397 -1.186 -9.630 111 1HA GLY 37 1HA GLY 37 3.045 -2.407 -11.556 112 2HA GLY 37 2HA GLY 37 3.590 -3.904 -10.781 113 H GLY 38 H GLY 38 1.147 -3.526 -12.334 114 1HA GLY 38 1HA GLY 38 -1.260 -3.006 -11.182 115 2HA GLY 38 2HA GLY 38 -0.989 -4.345 -12.290 116 H ASP 39 H ASP 39 0.225 -6.259 -11.123 117 HA ASP 39 HA ASP 39 -1.569 -7.364 -9.242 118 1HB ASP 39 1HB ASP 39 1.167 -8.405 -10.034 119 2HB ASP 39 2HB ASP 39 -0.253 -9.346 -9.557 120 H LEU 40 H LEU 40 1.000 -5.239 -8.650 121 HA LEU 40 HA LEU 40 2.150 -4.561 -6.813 122 1HB LEU 40 1HB LEU 40 0.210 -6.292 -5.265 123 2HB LEU 40 2HB LEU 40 1.194 -4.983 -4.638 124 HG LEU 40 HG LEU 40 -0.454 -4.189 -7.015 125 1HD1 LEU 40 1HD1 LEU 40 -1.796 -5.081 -4.461 126 2HD1 LEU 40 2HD1 LEU 40 -2.551 -4.074 -5.727 127 3HD1 LEU 40 3HD1 LEU 40 -2.042 -5.728 -6.096 128 1HD2 LEU 40 1HD2 LEU 40 -0.665 -2.193 -5.912 129 2HD2 LEU 40 2HD2 LEU 40 -0.458 -2.937 -4.315 130 3HD2 LEU 40 3HD2 LEU 40 0.939 -2.731 -5.414 131 H THR 41 H THR 41 2.817 -7.077 -8.320 132 HA THR 41 HA THR 41 4.271 -8.815 -6.548 133 HB THR 41 HB THR 41 4.989 -9.597 -8.948 134 HG1 THR 41 1HG THR 41 3.489 -8.732 -10.525 135 1HG2 THR 41 1HG2 THR 41 3.256 -10.765 -7.649 136 2HG2 THR 41 2HG2 THR 41 2.045 -9.558 -8.110 137 3HG2 THR 41 3HG2 THR 41 2.743 -10.629 -9.341 138 H GLY 42 H GLY 42 4.899 -5.652 -7.803 139 1HA GLY 42 1HA GLY 42 6.681 -4.481 -6.961 140 2HA GLY 42 2HA GLY 42 7.638 -5.956 -6.758 141 H ALA 43 H ALA 43 6.471 -3.580 -9.115 142 HA ALA 43 HA ALA 43 8.217 -4.599 -11.253 143 1HB ALA 43 1HB ALA 43 6.065 -3.701 -11.864 144 2HB ALA 43 2HB ALA 43 6.424 -2.143 -11.106 145 3HB ALA 43 3HB ALA 43 7.347 -2.668 -12.527 146 H SER 44 H SER 44 7.959 -1.331 -9.807 147 HA SER 44 HA SER 44 10.888 -0.905 -10.163 148 1HB SER 44 1HB SER 44 9.039 0.626 -11.174 149 2HB SER 44 2HB SER 44 8.810 1.192 -9.508 150 HG SER 44 HG SER 44 10.325 2.506 -10.479 151 H ALA 45 H ALA 45 8.970 -2.152 -7.834 152 HA ALA 45 HA ALA 45 10.417 -1.053 -5.524 153 1HB ALA 45 1HB ALA 45 8.216 -0.630 -4.398 154 2HB ALA 45 2HB ALA 45 8.371 0.382 -5.844 155 3HB ALA 45 3HB ALA 45 7.379 -1.075 -5.896 156 HA PRO 46 HA PRO 46 9.946 -5.387 -4.541 157 1HB PRO 46 1HB PRO 46 9.392 -5.489 -1.830 158 2HB PRO 46 2HB PRO 46 11.001 -5.117 -2.513 159 1HG PRO 46 1HG PRO 46 8.877 -3.155 -1.622 160 2HG PRO 46 2HG PRO 46 10.607 -3.169 -1.163 161 1HD PRO 46 1HD PRO 46 9.725 -1.564 -3.141 162 2HD PRO 46 2HD PRO 46 11.254 -2.450 -3.363 163 H ALA 47 H ALA 47 8.403 -7.024 -3.944 164 HA ALA 47 HA ALA 47 5.768 -6.505 -4.863 165 1HB ALA 47 1HB ALA 47 5.343 -8.840 -4.249 166 2HB ALA 47 2HB ALA 47 6.946 -8.730 -5.008 167 3HB ALA 47 3HB ALA 47 6.813 -8.888 -3.256 168 H ILE 48 H ILE 48 4.209 -5.451 -3.716 169 HA ILE 48 HA ILE 48 4.228 -5.790 -0.748 170 HB ILE 48 HB ILE 48 2.763 -3.848 -0.532 171 1HG1 ILE 48 1HG1 ILE 48 3.347 -2.063 -2.441 172 2HG1 ILE 48 2HG1 ILE 48 3.293 -3.485 -3.480 173 1HG2 ILE 48 1HG2 ILE 48 5.069 -3.818 0.037 174 2HG2 ILE 48 2HG2 ILE 48 5.479 -3.324 -1.647 175 3HG2 ILE 48 3HG2 ILE 48 4.463 -2.280 -0.594 176 1HD1 ILE 48 1HD1 ILE 48 0.931 -3.816 -2.599 177 2HD1 ILE 48 2HD1 ILE 48 1.264 -2.502 -1.438 178 3HD1 ILE 48 3HD1 ILE 48 1.166 -2.115 -3.146 179 H ASP 49 H ASP 49 2.681 -6.978 -3.492 180 HA ASP 49 HA ASP 49 0.059 -7.156 -2.744 181 1HB ASP 49 1HB ASP 49 -0.098 -8.799 -4.292 182 2HB ASP 49 2HB ASP 49 1.538 -8.340 -4.690 183 H LYS 50 H LYS 50 2.738 -8.907 -1.316 184 HA LYS 50 HA LYS 50 1.002 -10.258 0.700 185 1HB LYS 50 1HB LYS 50 3.647 -10.814 -0.590 186 2HB LYS 50 2HB LYS 50 3.287 -11.537 1.005 187 1HG LYS 50 1HG LYS 50 1.469 -12.781 0.231 188 2HG LYS 50 2HG LYS 50 1.190 -11.722 -1.144 189 1HD LYS 50 1HD LYS 50 1.974 -13.896 -1.843 190 2HD LYS 50 2HD LYS 50 3.006 -12.592 -2.403 191 1HE LYS 50 1HE LYS 50 3.617 -14.339 0.047 192 2HE LYS 50 2HE LYS 50 4.190 -14.688 -1.592 193 1HZ LYS 50 1HZ LYS 50 5.260 -12.500 -1.576 194 2HZ LYS 50 2HZ LYS 50 4.884 -12.333 0.013 195 3HZ LYS 50 3HZ LYS 50 5.886 -13.543 -0.462 196 H ALA 51 H ALA 51 2.421 -7.348 0.607 197 HA ALA 51 HA ALA 51 4.129 -7.220 2.835 198 1HB ALA 51 1HB ALA 51 3.615 -4.900 2.952 199 2HB ALA 51 2HB ALA 51 3.601 -5.351 1.249 200 3HB ALA 51 3HB ALA 51 2.076 -5.118 2.115 201 H GLY 52 H GLY 52 0.515 -7.422 2.685 202 1HA GLY 52 1HA GLY 52 -0.094 -6.951 5.356 203 2HA GLY 52 2HA GLY 52 -0.932 -8.075 4.254 204 H ALA 53 H ALA 53 1.457 -9.840 3.963 205 HA ALA 53 HA ALA 53 1.110 -11.478 6.375 206 1HB ALA 53 1HB ALA 53 2.662 -13.012 5.273 207 2HB ALA 53 2HB ALA 53 1.375 -12.568 4.146 208 3HB ALA 53 3HB ALA 53 2.981 -11.838 3.989 209 H ASN 54 H ASN 54 3.628 -9.499 4.807 210 HA ASN 54 HA ASN 54 5.699 -10.261 6.677 211 1HB ASN 54 1HB ASN 54 5.507 -8.040 4.599 212 2HB ASN 54 2HB ASN 54 6.953 -8.358 5.556 213 1HD2 ASN 54 1HD2 ASN 54 8.014 -10.483 5.374 214 2HD2 ASN 54 2HD2 ASN 54 7.859 -11.361 3.862 215 H TYR 55 H TYR 55 3.451 -7.538 6.476 216 HA TYR 55 HA TYR 55 4.460 -6.369 9.011 217 1HB TYR 55 1HB TYR 55 3.670 -4.718 6.600 218 2HB TYR 55 2HB TYR 55 4.493 -4.190 8.066 219 HD1 TYR 55 1HD TYR 55 5.059 -4.179 4.809 220 HD2 TYR 55 2HD TYR 55 6.822 -5.904 8.345 221 HE1 TYR 55 1HE TYR 55 7.256 -4.262 3.680 222 HE2 TYR 55 2HE TYR 55 9.006 -6.036 7.182 223 HH TYR 55 HH TYR 55 9.522 -4.699 3.902 224 H SER 56 H SER 56 2.750 -5.016 10.016 225 HA SER 56 HA SER 56 0.067 -6.173 9.431 226 1HB SER 56 1HB SER 56 1.125 -4.682 11.859 227 2HB SER 56 2HB SER 56 -0.522 -5.298 11.675 228 HG SER 56 HG SER 56 1.837 -6.872 11.436 229 H GLU 57 H GLU 57 -1.825 -4.600 9.785 230 HA GLU 57 HA GLU 57 -1.794 -2.840 7.630 231 1HB GLU 57 1HB GLU 57 -3.984 -2.098 8.410 232 2HB GLU 57 2HB GLU 57 -3.824 -3.835 8.421 233 1HG GLU 57 1HG GLU 57 -4.650 -3.812 10.483 234 2HG GLU 57 2HG GLU 57 -3.123 -3.147 11.066 235 H GLU 58 H GLU 58 -1.362 -2.066 11.091 236 HA GLU 58 HA GLU 58 -1.091 0.663 11.026 237 1HB GLU 58 1HB GLU 58 0.358 0.328 13.038 238 2HB GLU 58 2HB GLU 58 -1.140 -0.602 13.030 239 1HG GLU 58 1HG GLU 58 0.630 -2.442 11.916 240 2HG GLU 58 2HG GLU 58 1.663 -1.563 13.046 241 H GLU 59 H GLU 59 1.627 -1.640 10.508 242 HA GLU 59 HA GLU 59 3.696 0.197 10.024 243 1HB GLU 59 1HB GLU 59 3.141 -2.568 8.875 244 2HB GLU 59 2HB GLU 59 4.687 -1.746 8.715 245 1HG GLU 59 1HG GLU 59 3.546 -2.186 11.496 246 2HG GLU 59 2HG GLU 59 4.336 -3.508 10.626 247 H ILE 60 H ILE 60 1.349 -1.295 7.817 248 HA ILE 60 HA ILE 60 2.481 -0.234 5.378 249 HB ILE 60 HB ILE 60 -0.205 -1.437 6.084 250 1HG1 ILE 60 1HG1 ILE 60 1.893 -2.616 4.251 251 2HG1 ILE 60 2HG1 ILE 60 2.093 -2.759 6.000 252 1HG2 ILE 60 1HG2 ILE 60 -0.648 0.017 4.204 253 2HG2 ILE 60 2HG2 ILE 60 0.796 -0.563 3.346 254 3HG2 ILE 60 3HG2 ILE 60 -0.590 -1.641 3.611 255 1HD1 ILE 60 1HD1 ILE 60 1.008 -4.740 5.071 256 2HD1 ILE 60 2HD1 ILE 60 -0.036 -3.909 6.234 257 3HD1 ILE 60 3HD1 ILE 60 -0.350 -3.756 4.498 258 H LEU 61 H LEU 61 -0.276 0.713 7.444 259 HA LEU 61 HA LEU 61 -1.206 2.943 6.062 260 1HB LEU 61 1HB LEU 61 -2.236 1.872 8.044 261 2HB LEU 61 2HB LEU 61 -0.986 2.495 9.084 262 HG LEU 61 HG LEU 61 -1.668 4.771 8.796 263 1HD1 LEU 61 1HD1 LEU 61 -3.756 5.295 7.436 264 2HD1 LEU 61 2HD1 LEU 61 -2.308 4.912 6.495 265 3HD1 LEU 61 3HD1 LEU 61 -3.574 3.683 6.707 266 1HD2 LEU 61 1HD2 LEU 61 -2.900 3.362 10.433 267 2HD2 LEU 61 2HD2 LEU 61 -3.928 4.646 9.769 268 3HD2 LEU 61 3HD2 LEU 61 -4.107 2.977 9.189 269 H ASP 62 H ASP 62 1.238 2.782 8.700 270 HA ASP 62 HA ASP 62 1.838 5.581 8.553 271 1HB ASP 62 1HB ASP 62 2.915 3.287 10.037 272 2HB ASP 62 2HB ASP 62 4.196 4.361 9.471 273 H ILE 63 H ILE 63 3.255 2.737 6.882 274 HA ILE 63 HA ILE 63 5.373 4.262 5.667 275 HB ILE 63 HB ILE 63 4.118 1.570 5.194 276 1HG1 ILE 63 1HG1 ILE 63 7.020 2.487 5.439 277 2HG1 ILE 63 2HG1 ILE 63 5.985 2.107 6.824 278 1HG2 ILE 63 1HG2 ILE 63 5.871 2.929 3.122 279 2HG2 ILE 63 2HG2 ILE 63 5.596 1.185 3.231 280 3HG2 ILE 63 3HG2 ILE 63 4.236 2.243 2.910 281 1HD1 ILE 63 1HD1 ILE 63 6.878 0.153 4.668 282 2HD1 ILE 63 2HD1 ILE 63 7.349 0.193 6.368 283 3HD1 ILE 63 3HD1 ILE 63 5.677 -0.212 5.932 284 H ILE 64 H ILE 64 2.020 3.663 4.558 285 HA ILE 64 HA ILE 64 2.299 4.985 2.028 286 HB ILE 64 HB ILE 64 -0.076 4.681 3.907 287 1HG1 ILE 64 1HG1 ILE 64 0.572 3.258 1.305 288 2HG1 ILE 64 2HG1 ILE 64 1.053 2.614 2.869 289 1HG2 ILE 64 1HG2 ILE 64 0.017 5.711 1.039 290 2HG2 ILE 64 2HG2 ILE 64 -1.468 5.226 1.880 291 3HG2 ILE 64 3HG2 ILE 64 -0.545 6.596 2.472 292 1HD1 ILE 64 1HD1 ILE 64 -1.778 3.047 1.895 293 2HD1 ILE 64 2HD1 ILE 64 -0.992 1.539 2.389 294 3HD1 ILE 64 3HD1 ILE 64 -1.388 2.753 3.606 295 H LEU 65 H LEU 65 1.266 6.200 5.241 296 HA LEU 65 HA LEU 65 0.853 8.878 4.315 297 1HB LEU 65 1HB LEU 65 1.369 7.768 7.076 298 2HB LEU 65 2HB LEU 65 0.797 9.409 6.732 299 HG LEU 65 HG LEU 65 -0.856 6.996 5.797 300 1HD1 LEU 65 1HD1 LEU 65 -0.427 6.719 8.222 301 2HD1 LEU 65 2HD1 LEU 65 -0.925 8.395 8.512 302 3HD1 LEU 65 3HD1 LEU 65 -2.103 7.208 7.914 303 1HD2 LEU 65 1HD2 LEU 65 -1.571 9.846 6.572 304 2HD2 LEU 65 2HD2 LEU 65 -1.374 9.244 4.906 305 3HD2 LEU 65 3HD2 LEU 65 -2.660 8.593 5.945 306 H ASN 66 H ASN 66 3.682 7.245 5.651 307 HA ASN 66 HA ASN 66 5.229 9.708 6.085 308 1HB ASN 66 1HB ASN 66 5.745 6.747 6.595 309 2HB ASN 66 2HB ASN 66 6.992 7.937 6.768 310 1HD2 ASN 66 1HD2 ASN 66 3.721 7.171 7.889 311 2HD2 ASN 66 2HD2 ASN 66 3.989 7.548 9.559 312 H GLY 67 H GLY 67 5.554 6.702 4.137 313 1HA GLY 67 1HA GLY 67 6.541 6.665 1.944 314 2HA GLY 67 2HA GLY 67 7.594 8.013 2.388 315 H GLN 68 H GLN 68 7.436 4.646 2.143 316 HA GLN 68 HA GLN 68 9.391 3.815 4.082 317 1HB GLN 68 1HB GLN 68 8.166 2.031 2.883 318 2HB GLN 68 2HB GLN 68 8.505 2.824 1.358 319 1HG GLN 68 1HG GLN 68 9.642 0.790 1.669 320 2HG GLN 68 2HG GLN 68 10.798 2.109 1.395 321 1HE2 GLN 68 1HE2 GLN 68 10.970 -0.734 2.495 322 2HE2 GLN 68 2HE2 GLN 68 11.894 -0.445 3.956 323 H GLY 69 H GLY 69 11.714 3.521 3.685 324 1HA GLY 69 1HA GLY 69 13.083 5.768 2.629 325 2HA GLY 69 2HA GLY 69 13.798 4.215 3.074 326 H GLY 70 H GLY 70 12.271 5.996 0.518 327 1HA GLY 70 1HA GLY 70 13.662 5.851 -1.689 328 2HA GLY 70 2HA GLY 70 13.167 4.158 -1.659 329 H MET 71 H MET 71 10.564 5.492 -0.256 330 HA MET 71 HA MET 71 9.041 5.815 -2.769 331 1HB MET 71 1HB MET 71 8.671 3.794 -1.473 332 2HB MET 71 2HB MET 71 8.524 4.717 0.010 333 1HG MET 71 1HG MET 71 6.479 5.724 -0.650 334 2HG MET 71 2HG MET 71 6.493 4.946 -2.230 335 1HE MET 71 1HE MET 71 3.949 4.650 -0.697 336 2HE MET 71 2HE MET 71 3.834 3.460 0.623 337 3HE MET 71 3HE MET 71 4.704 4.985 0.878 338 HA PRO 72 HA PRO 72 8.099 9.830 -0.720 339 1HB PRO 72 1HB PRO 72 6.268 10.802 -2.517 340 2HB PRO 72 2HB PRO 72 8.034 10.854 -2.783 341 1HG PRO 72 1HG PRO 72 6.035 8.947 -3.949 342 2HG PRO 72 2HG PRO 72 7.465 9.663 -4.726 343 1HD PRO 72 1HD PRO 72 7.320 7.095 -3.600 344 2HD PRO 72 2HD PRO 72 8.852 7.988 -3.874 345 H GLY 73 H GLY 73 6.503 10.156 0.871 346 1HA GLY 73 1HA GLY 73 4.300 8.195 1.039 347 2HA GLY 73 2HA GLY 73 4.905 9.281 2.294 348 H GLY 74 H GLY 74 2.442 9.320 2.264 349 1HA GLY 74 1HA GLY 74 0.628 10.765 2.280 350 2HA GLY 74 2HA GLY 74 1.675 12.034 1.625 351 H ILE 75 H ILE 75 1.665 9.168 -0.257 352 HA ILE 75 HA ILE 75 0.482 10.297 -2.580 353 HB ILE 75 HB ILE 75 1.109 7.464 -1.659 354 1HG1 ILE 75 1HG1 ILE 75 2.435 9.364 -3.654 355 2HG1 ILE 75 2HG1 ILE 75 3.012 9.003 -2.022 356 1HG2 ILE 75 1HG2 ILE 75 0.116 8.307 -4.409 357 2HG2 ILE 75 2HG2 ILE 75 0.787 6.711 -4.007 358 3HG2 ILE 75 3HG2 ILE 75 -0.697 7.221 -3.249 359 1HD1 ILE 75 1HD1 ILE 75 3.167 6.556 -2.722 360 2HD1 ILE 75 2HD1 ILE 75 2.901 7.137 -4.392 361 3HD1 ILE 75 3HD1 ILE 75 4.313 7.661 -3.495 362 H ALA 76 H ALA 76 -0.859 8.665 0.234 363 HA ALA 76 HA ALA 76 -3.524 9.313 -0.667 364 1HB ALA 76 1HB ALA 76 -3.466 6.951 -1.286 365 2HB ALA 76 2HB ALA 76 -2.583 6.527 0.197 366 3HB ALA 76 3HB ALA 76 -4.274 7.015 0.297 367 H LYS 77 H LYS 77 -4.838 9.828 1.261 368 HA LYS 77 HA LYS 77 -3.434 9.539 3.872 369 1HB LYS 77 1HB LYS 77 -4.401 12.150 2.638 370 2HB LYS 77 2HB LYS 77 -4.114 11.910 4.349 371 1HG LYS 77 1HG LYS 77 -1.709 11.007 3.391 372 2HG LYS 77 2HG LYS 77 -2.160 12.098 2.086 373 1HD LYS 77 1HD LYS 77 -0.883 13.418 3.565 374 2HD LYS 77 2HD LYS 77 -2.558 13.867 3.939 375 1HE LYS 77 1HE LYS 77 -2.476 12.175 5.870 376 2HE LYS 77 2HE LYS 77 -0.777 11.881 5.468 377 1HZ LYS 77 1HZ LYS 77 -1.904 14.451 6.353 378 2HZ LYS 77 2HZ LYS 77 -1.015 13.413 7.264 379 3HZ LYS 77 3HZ LYS 77 -0.320 14.174 5.986 380 H GLY 78 H GLY 78 -4.664 9.785 5.738 381 1HA GLY 78 1HA GLY 78 -6.464 9.348 7.056 382 2HA GLY 78 2HA GLY 78 -7.421 10.291 5.898 383 H ALA 79 H ALA 79 -9.212 8.982 5.808 384 HA ALA 79 HA ALA 79 -9.662 6.354 5.800 385 1HB ALA 79 1HB ALA 79 -10.948 8.306 3.867 386 2HB ALA 79 2HB ALA 79 -11.606 6.734 4.375 387 3HB ALA 79 3HB ALA 79 -11.409 8.033 5.565 388 H GLU 80 H GLU 80 -8.265 8.090 3.045 389 HA GLU 80 HA GLU 80 -8.387 6.080 1.047 390 1HB GLU 80 1HB GLU 80 -7.723 8.647 1.063 391 2HB GLU 80 2HB GLU 80 -6.115 8.030 1.419 392 1HG GLU 80 1HG GLU 80 -6.259 6.740 -0.768 393 2HG GLU 80 2HG GLU 80 -7.791 7.571 -1.073 394 H ALA 81 H ALA 81 -5.686 6.923 3.372 395 HA ALA 81 HA ALA 81 -4.089 4.665 2.535 396 1HB ALA 81 1HB ALA 81 -3.135 6.811 3.337 397 2HB ALA 81 2HB ALA 81 -3.831 6.510 4.944 398 3HB ALA 81 3HB ALA 81 -2.586 5.420 4.284 399 H GLU 82 H GLU 82 -6.325 5.409 5.234 400 HA GLU 82 HA GLU 82 -5.816 3.133 6.867 401 1HB GLU 82 1HB GLU 82 -8.388 4.656 6.352 402 2HB GLU 82 2HB GLU 82 -8.138 3.548 7.694 403 1HG GLU 82 1HG GLU 82 -6.601 4.970 8.780 404 2HG GLU 82 2HG GLU 82 -6.278 5.929 7.338 405 H ALA 83 H ALA 83 -8.191 3.619 4.206 406 HA ALA 83 HA ALA 83 -9.269 1.009 4.206 407 1HB ALA 83 1HB ALA 83 -8.891 2.898 1.840 408 2HB ALA 83 2HB ALA 83 -9.995 1.509 1.938 409 3HB ALA 83 3HB ALA 83 -10.258 2.910 2.981 410 H VAL 84 H VAL 84 -6.466 2.381 2.342 411 HA VAL 84 HA VAL 84 -5.715 -0.038 1.106 412 HB VAL 84 HB VAL 84 -3.788 2.055 2.174 413 1HG1 VAL 84 1HG1 VAL 84 -2.627 -0.060 1.789 414 2HG1 VAL 84 2HG1 VAL 84 -3.520 -0.302 0.270 415 3HG1 VAL 84 3HG1 VAL 84 -2.332 0.963 0.396 416 1HG2 VAL 84 1HG2 VAL 84 -4.988 1.665 -0.593 417 2HG2 VAL 84 2HG2 VAL 84 -5.162 3.095 0.441 418 3HG2 VAL 84 3HG2 VAL 84 -3.571 2.682 -0.226 419 H ALA 85 H ALA 85 -4.696 1.177 4.353 420 HA ALA 85 HA ALA 85 -2.915 -0.814 5.033 421 1HB ALA 85 1HB ALA 85 -4.921 0.442 6.964 422 2HB ALA 85 2HB ALA 85 -3.316 -0.188 7.325 423 3HB ALA 85 3HB ALA 85 -3.489 1.260 6.315 424 H ALA 86 H ALA 86 -6.416 -0.830 5.793 425 HA ALA 86 HA ALA 86 -6.543 -3.454 6.857 426 1HB ALA 86 1HB ALA 86 -8.342 -1.815 7.118 427 2HB ALA 86 2HB ALA 86 -8.682 -1.864 5.375 428 3HB ALA 86 3HB ALA 86 -8.965 -3.304 6.378 429 H TRP 87 H TRP 87 -7.239 -2.345 3.496 430 HA TRP 87 HA TRP 87 -7.916 -4.906 2.484 431 1HB TRP 87 1HB TRP 87 -8.630 -3.020 1.325 432 2HB TRP 87 2HB TRP 87 -7.015 -2.304 1.356 433 HD1 TRP 87 HD TRP 87 -9.084 -4.628 -0.840 434 HE1 TRP 87 1HE TRP 87 -7.731 -5.227 -2.922 435 HE3 TRP 87 3HE TRP 87 -4.828 -2.114 0.288 436 HZ2 TRP 87 2HZ TRP 87 -4.915 -4.739 -3.897 437 HZ3 TRP 87 3HZ TRP 87 -2.984 -1.977 -1.350 438 HH2 TRP 87 HH TRP 87 -2.931 -3.520 -3.278 439 H LEU 88 H LEU 88 -4.754 -3.221 2.402 440 HA LEU 88 HA LEU 88 -3.420 -5.247 0.908 441 1HB LEU 88 1HB LEU 88 -2.713 -2.709 1.931 442 2HB LEU 88 2HB LEU 88 -1.540 -3.827 2.609 443 HG LEU 88 HG LEU 88 -2.175 -3.915 -0.349 444 1HD1 LEU 88 1HD1 LEU 88 -1.537 -1.558 0.395 445 2HD1 LEU 88 2HD1 LEU 88 0.082 -2.239 0.603 446 3HD1 LEU 88 3HD1 LEU 88 -0.779 -2.330 -0.974 447 1HD2 LEU 88 1HD2 LEU 88 -0.983 -5.792 0.636 448 2HD2 LEU 88 2HD2 LEU 88 -0.347 -4.944 -0.777 449 3HD2 LEU 88 3HD2 LEU 88 0.369 -4.642 0.840 450 H ALA 89 H ALA 89 -3.791 -4.635 4.405 451 HA ALA 89 HA ALA 89 -2.323 -6.866 5.380 452 1HB ALA 89 1HB ALA 89 -4.759 -5.540 6.571 453 2HB ALA 89 2HB ALA 89 -3.693 -6.706 7.377 454 3HB ALA 89 3HB ALA 89 -3.042 -5.147 6.836 455 H GLU 90 H GLU 90 -5.713 -6.583 4.291 456 HA GLU 90 HA GLU 90 -6.359 -9.345 4.743 457 1HB GLU 90 1HB GLU 90 -7.898 -7.343 4.732 458 2HB GLU 90 2HB GLU 90 -7.741 -7.292 2.973 459 1HG GLU 90 1HG GLU 90 -8.778 -9.518 2.794 460 2HG GLU 90 2HG GLU 90 -8.820 -9.660 4.562 461 H LYS 91 H LYS 91 -4.411 -7.901 2.276 462 HA LYS 91 HA LYS 91 -5.314 -9.566 0.093 463 1HB LYS 91 1HB LYS 91 -3.973 -7.232 0.363 464 2HB LYS 91 2HB LYS 91 -2.601 -8.253 0.045 465 1HG LYS 91 1HG LYS 91 -5.033 -8.392 -1.790 466 2HG LYS 91 2HG LYS 91 -4.106 -6.905 -1.768 467 1HD LYS 91 1HD LYS 91 -3.421 -8.311 -3.614 468 2HD LYS 91 2HD LYS 91 -2.088 -7.978 -2.500 469 1HE LYS 91 1HE LYS 91 -2.181 -10.174 -1.557 470 2HE LYS 91 2HE LYS 91 -3.750 -10.523 -2.338 471 1HZ LYS 91 1HZ LYS 91 -2.117 -11.657 -3.474 472 2HZ LYS 91 2HZ LYS 91 -2.392 -10.367 -4.464 473 3HZ LYS 91 3HZ LYS 91 -1.051 -10.465 -3.498 474 H LYS 92 H LYS 92 -3.373 -10.114 2.842 475 HA LYS 92 HA LYS 92 -1.114 -11.329 1.814 476 1HB LYS 92 1HB LYS 92 -0.706 -11.960 4.104 477 2HB LYS 92 2HB LYS 92 -1.395 -10.331 3.976 478 1HG LYS 92 1HG LYS 92 -3.657 -11.352 4.561 479 2HG LYS 92 2HG LYS 92 -2.840 -12.885 4.848 480 1HD LYS 92 1HD LYS 92 -1.532 -11.986 6.645 481 2HD LYS 92 2HD LYS 92 -1.982 -10.321 6.226 482 1HE LYS 92 1HE LYS 92 -4.309 -10.694 6.822 483 2HE LYS 92 2HE LYS 92 -3.989 -12.392 7.202 484 1HZ LYS 92 1HZ LYS 92 -4.030 -10.914 9.141 485 2HZ LYS 92 2HZ LYS 92 -2.583 -11.683 8.982 486 3HZ LYS 92 3HZ LYS 92 -2.722 -10.101 8.559 487 HHA HEC 93 HHA HEC 93 8.649 -0.336 0.186 488 HHB HEC 93 HHB HEC 93 2.251 0.069 0.785 489 HHC HEC 93 HHC HEC 93 2.257 4.377 -3.993 490 HHD HEC 93 HHD HEC 93 8.466 3.212 -5.071 491 1HMA HEC 93 1HMA HEC 93 4.650 -1.542 3.401 492 2HMA HEC 93 2HMA HEC 93 3.208 -0.719 2.815 493 3HMA HEC 93 3HMA HEC 93 3.677 -2.289 2.117 494 1HAA HEC 93 1HAA HEC 93 6.855 -1.853 3.045 495 2HAA HEC 93 2HAA HEC 93 8.020 -0.726 2.442 496 1HBA HEC 93 1HBA HEC 93 7.863 -2.328 0.301 497 2HBA HEC 93 2HBA HEC 93 7.332 -3.499 1.493 498 1HMB HEC 93 1HMB HEC 93 -0.656 2.011 -0.224 499 2HMB HEC 93 2HMB HEC 93 -0.377 0.413 -0.959 500 3HMB HEC 93 3HMB HEC 93 0.293 0.818 0.631 501 HAB HEC 93 HAB HEC 93 0.282 3.950 -3.544 502 1HBB HEC 93 1HBB HEC 93 -1.511 4.843 -2.439 503 2HBB HEC 93 2HBB HEC 93 -1.507 3.666 -1.145 504 3HBB HEC 93 3HBB HEC 93 -0.229 4.897 -1.218 505 1HMC HEC 93 1HMC HEC 93 4.105 5.952 -6.794 506 2HMC HEC 93 2HMC HEC 93 3.407 4.330 -6.947 507 3HMC HEC 93 3HMC HEC 93 2.756 5.469 -5.779 508 HAC HEC 93 HAC HEC 93 7.824 4.451 -6.609 509 1HBC HEC 93 1HBC HEC 93 7.597 6.688 -5.843 510 2HBC HEC 93 2HBC HEC 93 7.505 6.646 -7.605 511 3HBC HEC 93 3HBC HEC 93 6.035 6.893 -6.646 512 1HMD HEC 93 1HMD HEC 93 11.163 0.795 -4.255 513 2HMD HEC 93 2HMD HEC 93 10.107 1.802 -5.227 514 3HMD HEC 93 3HMD HEC 93 11.214 2.564 -4.053 515 1HAD HEC 93 1HAD HEC 93 10.926 -0.622 -1.304 516 2HAD HEC 93 2HAD HEC 93 10.571 0.561 -0.157 517 1HBD HEC 93 1HBD HEC 93 12.648 1.249 -0.386 518 2HBD HEC 93 2HBD HEC 93 11.783 2.335 -1.411 Start of MODEL 25 1 1H VAL 22 1H VAL 22 -14.511 4.279 -0.239 2 2H VAL 22 2H VAL 22 -13.559 4.312 1.107 3 3H VAL 22 3H VAL 22 -14.252 5.721 0.546 4 HA VAL 22 HA VAL 22 -13.001 5.450 -1.503 5 HB VAL 22 HB VAL 22 -11.395 5.634 1.079 6 1HG1 VAL 22 1HG1 VAL 22 -9.793 4.951 -0.572 7 2HG1 VAL 22 2HG1 VAL 22 -10.534 5.970 -1.830 8 3HG1 VAL 22 3HG1 VAL 22 -9.688 6.717 -0.468 9 1HG2 VAL 22 1HG2 VAL 22 -13.050 7.482 0.606 10 2HG2 VAL 22 2HG2 VAL 22 -11.370 8.030 0.534 11 3HG2 VAL 22 3HG2 VAL 22 -12.264 7.733 -0.968 12 H ASP 23 H ASP 23 -12.820 3.760 -2.703 13 HA ASP 23 HA ASP 23 -12.721 1.178 -1.869 14 1HB ASP 23 1HB ASP 23 -12.224 2.414 -4.598 15 2HB ASP 23 2HB ASP 23 -12.690 0.729 -4.309 16 H ALA 24 H ALA 24 -11.034 0.421 -0.790 17 HA ALA 24 HA ALA 24 -8.498 1.315 -0.734 18 1HB ALA 24 1HB ALA 24 -7.889 -0.693 0.358 19 2HB ALA 24 2HB ALA 24 -9.514 -0.233 0.906 20 3HB ALA 24 3HB ALA 24 -9.330 -1.552 -0.266 21 H GLU 25 H GLU 25 -9.522 -1.581 -2.641 22 HA GLU 25 HA GLU 25 -6.926 -1.947 -3.745 23 1HB GLU 25 1HB GLU 25 -7.761 -3.595 -5.076 24 2HB GLU 25 2HB GLU 25 -8.903 -3.619 -3.731 25 1HG GLU 25 1HG GLU 25 -10.480 -2.274 -5.105 26 2HG GLU 25 2HG GLU 25 -9.308 -2.334 -6.478 27 H ALA 26 H ALA 26 -9.761 -0.007 -4.853 28 HA ALA 26 HA ALA 26 -8.780 0.638 -7.404 29 1HB ALA 26 1HB ALA 26 -11.105 1.115 -6.527 30 2HB ALA 26 2HB ALA 26 -10.398 2.548 -5.722 31 3HB ALA 26 3HB ALA 26 -10.341 2.408 -7.478 32 H VAL 27 H VAL 27 -8.338 2.383 -4.300 33 HA VAL 27 HA VAL 27 -6.466 4.448 -5.126 34 HB VAL 27 HB VAL 27 -6.545 2.771 -2.578 35 1HG1 VAL 27 1HG1 VAL 27 -4.310 3.754 -2.877 36 2HG1 VAL 27 2HG1 VAL 27 -5.039 5.338 -3.223 37 3HG1 VAL 27 3HG1 VAL 27 -5.191 4.610 -1.618 38 1HG2 VAL 27 1HG2 VAL 27 -7.624 4.703 -1.586 39 2HG2 VAL 27 2HG2 VAL 27 -7.559 5.587 -3.129 40 3HG2 VAL 27 3HG2 VAL 27 -8.596 4.155 -2.960 41 H VAL 28 H VAL 28 -5.670 1.002 -4.057 42 HA VAL 28 HA VAL 28 -3.023 1.734 -4.687 43 HB VAL 28 HB VAL 28 -4.432 -0.851 -3.985 44 1HG1 VAL 28 1HG1 VAL 28 -2.595 -1.653 -5.161 45 2HG1 VAL 28 2HG1 VAL 28 -1.495 -0.466 -4.477 46 3HG1 VAL 28 3HG1 VAL 28 -2.080 -1.737 -3.450 47 1HG2 VAL 28 1HG2 VAL 28 -4.358 0.165 -1.985 48 2HG2 VAL 28 2HG2 VAL 28 -2.578 0.003 -2.011 49 3HG2 VAL 28 3HG2 VAL 28 -3.348 1.482 -2.547 50 H GLN 29 H GLN 29 -5.331 0.023 -6.493 51 HA GLN 29 HA GLN 29 -3.903 -0.625 -8.868 52 1HB GLN 29 1HB GLN 29 -6.835 -0.248 -8.144 53 2HB GLN 29 2HB GLN 29 -6.357 -0.825 -9.711 54 1HG GLN 29 1HG GLN 29 -5.713 -2.219 -7.088 55 2HG GLN 29 2HG GLN 29 -6.958 -2.684 -8.252 56 1HE2 GLN 29 1HE2 GLN 29 -4.135 -3.801 -7.210 57 2HE2 GLN 29 2HE2 GLN 29 -3.340 -4.225 -8.721 58 H GLN 30 H GLN 30 -4.633 2.485 -7.661 59 HA GLN 30 HA GLN 30 -3.789 3.458 -10.345 60 1HB GLN 30 1HB GLN 30 -6.334 3.922 -9.212 61 2HB GLN 30 2HB GLN 30 -5.443 5.412 -8.902 62 1HG GLN 30 1HG GLN 30 -4.829 5.527 -11.320 63 2HG GLN 30 2HG GLN 30 -5.672 3.993 -11.601 64 1HE2 GLN 30 1HE2 GLN 30 -6.307 7.273 -10.206 65 2HE2 GLN 30 2HE2 GLN 30 -7.936 7.371 -10.865 66 H LYS 31 H LYS 31 -3.090 3.481 -7.009 67 HA LYS 31 HA LYS 31 -1.481 5.984 -7.207 68 1HB LYS 31 1HB LYS 31 -3.007 4.645 -4.930 69 2HB LYS 31 2HB LYS 31 -1.834 5.845 -4.658 70 1HG LYS 31 1HG LYS 31 -3.426 7.020 -6.676 71 2HG LYS 31 2HG LYS 31 -4.557 6.223 -5.569 72 1HD LYS 31 1HD LYS 31 -3.481 7.329 -3.644 73 2HD LYS 31 2HD LYS 31 -2.282 8.082 -4.714 74 1HE LYS 31 1HE LYS 31 -3.859 9.541 -5.704 75 2HE LYS 31 2HE LYS 31 -5.239 8.645 -5.027 76 1HZ LYS 31 1HZ LYS 31 -4.652 10.711 -3.784 77 2HZ LYS 31 2HZ LYS 31 -4.754 9.318 -2.922 78 3HZ LYS 31 3HZ LYS 31 -3.278 9.930 -3.246 79 H CYS 32 H CYS 32 -1.266 2.503 -6.527 80 HA CYS 32 HA CYS 32 1.564 2.953 -5.638 81 1HB CYS 32 1HB CYS 32 0.176 0.405 -5.194 82 2HB CYS 32 2HB CYS 32 1.421 1.128 -4.230 83 H ILE 33 H ILE 33 -0.570 0.944 -7.693 84 HA ILE 33 HA ILE 33 1.327 -0.738 -8.795 85 HB ILE 33 HB ILE 33 -0.018 -0.760 -10.841 86 1HG1 ILE 33 1HG1 ILE 33 -1.938 1.227 -9.606 87 2HG1 ILE 33 2HG1 ILE 33 -0.694 1.728 -10.750 88 1HG2 ILE 33 1HG2 ILE 33 -0.560 -2.153 -8.928 89 2HG2 ILE 33 2HG2 ILE 33 -1.634 -0.919 -8.268 90 3HG2 ILE 33 3HG2 ILE 33 -2.032 -1.712 -9.799 91 1HD1 ILE 33 1HD1 ILE 33 -2.851 -0.309 -11.365 92 2HD1 ILE 33 2HD1 ILE 33 -2.698 1.345 -11.994 93 3HD1 ILE 33 3HD1 ILE 33 -1.500 0.122 -12.432 94 H SER 34 H SER 34 0.888 2.664 -9.433 95 HA SER 34 HA SER 34 2.326 3.175 -11.688 96 1HB SER 34 1HB SER 34 1.168 4.839 -10.163 97 2HB SER 34 2HB SER 34 2.606 4.791 -9.123 98 HG SER 34 HG SER 34 3.753 5.315 -11.201 99 H CYS 35 H CYS 35 3.697 2.079 -8.595 100 HA CYS 35 HA CYS 35 6.346 1.887 -9.954 101 1HB CYS 35 1HB CYS 35 6.177 2.238 -6.953 102 2HB CYS 35 2HB CYS 35 7.545 2.417 -8.033 103 H HIS 36 H HIS 36 4.123 0.517 -7.476 104 HA HIS 36 HA HIS 36 5.687 -1.875 -7.151 105 1HB HIS 36 1HB HIS 36 2.899 -1.088 -6.292 106 2HB HIS 36 2HB HIS 36 3.642 -2.641 -5.892 107 HD1 HIS 36 1HD HIS 36 5.758 -2.622 -4.169 108 HD2 HIS 36 2HD HIS 36 3.736 1.041 -4.821 109 HE1 HIS 36 1HE HIS 36 6.388 -1.069 -2.267 110 H GLY 37 H GLY 37 3.597 -1.026 -9.749 111 1HA GLY 37 1HA GLY 37 4.126 -2.350 -11.641 112 2HA GLY 37 2HA GLY 37 3.890 -3.840 -10.733 113 H GLY 38 H GLY 38 1.687 -4.374 -10.085 114 1HA GLY 38 1HA GLY 38 -0.616 -3.068 -11.358 115 2HA GLY 38 2HA GLY 38 -0.086 -4.560 -12.151 116 H ASP 39 H ASP 39 0.330 -6.444 -10.599 117 HA ASP 39 HA ASP 39 -1.848 -6.808 -8.722 118 1HB ASP 39 1HB ASP 39 0.484 -8.538 -9.607 119 2HB ASP 39 2HB ASP 39 -0.773 -9.063 -8.468 120 H LEU 40 H LEU 40 0.810 -5.005 -8.294 121 HA LEU 40 HA LEU 40 2.145 -4.326 -6.635 122 1HB LEU 40 1HB LEU 40 0.371 -5.784 -4.635 123 2HB LEU 40 2HB LEU 40 1.522 -4.490 -4.361 124 HG LEU 40 HG LEU 40 -0.535 -3.457 -4.213 125 1HD1 LEU 40 1HD1 LEU 40 1.012 -2.145 -5.559 126 2HD1 LEU 40 2HD1 LEU 40 0.453 -2.927 -7.053 127 3HD1 LEU 40 3HD1 LEU 40 -0.629 -1.881 -6.159 128 1HD2 LEU 40 1HD2 LEU 40 -2.434 -3.745 -5.509 129 2HD2 LEU 40 2HD2 LEU 40 -1.567 -4.532 -6.822 130 3HD2 LEU 40 3HD2 LEU 40 -1.794 -5.361 -5.256 131 H THR 41 H THR 41 2.539 -6.855 -8.030 132 HA THR 41 HA THR 41 3.919 -8.688 -6.325 133 HB THR 41 HB THR 41 4.604 -9.393 -8.786 134 HG1 THR 41 1HG THR 41 3.085 -8.469 -10.280 135 1HG2 THR 41 1HG2 THR 41 2.918 -10.593 -7.464 136 2HG2 THR 41 2HG2 THR 41 1.712 -9.337 -7.780 137 3HG2 THR 41 3HG2 THR 41 2.298 -10.360 -9.109 138 H GLY 42 H GLY 42 4.750 -5.555 -7.656 139 1HA GLY 42 1HA GLY 42 6.550 -4.442 -6.755 140 2HA GLY 42 2HA GLY 42 7.429 -5.949 -6.468 141 H ALA 43 H ALA 43 6.613 -3.509 -8.851 142 HA ALA 43 HA ALA 43 8.404 -4.732 -10.891 143 1HB ALA 43 1HB ALA 43 6.516 -2.353 -11.020 144 2HB ALA 43 2HB ALA 43 7.542 -2.933 -12.349 145 3HB ALA 43 3HB ALA 43 6.268 -3.975 -11.687 146 H SER 44 H SER 44 7.969 -1.314 -9.916 147 HA SER 44 HA SER 44 10.905 -0.883 -10.046 148 1HB SER 44 1HB SER 44 9.331 0.597 -11.340 149 2HB SER 44 2HB SER 44 8.648 1.137 -9.791 150 HG SER 44 HG SER 44 10.887 1.674 -9.228 151 H ALA 45 H ALA 45 8.881 -1.975 -7.740 152 HA ALA 45 HA ALA 45 10.244 -0.762 -5.437 153 1HB ALA 45 1HB ALA 45 8.028 -0.310 -4.394 154 2HB ALA 45 2HB ALA 45 8.237 0.672 -5.858 155 3HB ALA 45 3HB ALA 45 7.224 -0.772 -5.903 156 HA PRO 46 HA PRO 46 9.921 -5.066 -4.434 157 1HB PRO 46 1HB PRO 46 9.431 -5.145 -1.704 158 2HB PRO 46 2HB PRO 46 11.011 -4.740 -2.435 159 1HG PRO 46 1HG PRO 46 8.856 -2.838 -1.503 160 2HG PRO 46 2HG PRO 46 10.604 -2.791 -1.115 161 1HD PRO 46 1HD PRO 46 9.537 -1.252 -3.085 162 2HD PRO 46 2HD PRO 46 11.121 -2.033 -3.344 163 H ALA 47 H ALA 47 8.461 -6.760 -3.691 164 HA ALA 47 HA ALA 47 5.779 -6.374 -4.578 165 1HB ALA 47 1HB ALA 47 5.451 -8.679 -3.857 166 2HB ALA 47 2HB ALA 47 7.054 -8.562 -4.615 167 3HB ALA 47 3HB ALA 47 6.914 -8.624 -2.852 168 H ILE 48 H ILE 48 4.063 -5.593 -3.455 169 HA ILE 48 HA ILE 48 4.145 -5.838 -0.482 170 HB ILE 48 HB ILE 48 2.961 -3.770 -0.153 171 1HG1 ILE 48 1HG1 ILE 48 3.185 -2.037 -2.075 172 2HG1 ILE 48 2HG1 ILE 48 3.250 -3.415 -3.144 173 1HG2 ILE 48 1HG2 ILE 48 5.581 -3.482 -1.669 174 2HG2 ILE 48 2HG2 ILE 48 4.884 -2.311 -0.550 175 3HG2 ILE 48 3HG2 ILE 48 5.392 -3.895 0.047 176 1HD1 ILE 48 1HD1 ILE 48 1.059 -2.672 -1.104 177 2HD1 ILE 48 2HD1 ILE 48 0.962 -2.402 -2.846 178 3HD1 ILE 48 3HD1 ILE 48 0.939 -4.061 -2.199 179 H ASP 49 H ASP 49 2.629 -6.951 -3.259 180 HA ASP 49 HA ASP 49 0.021 -7.382 -2.565 181 1HB ASP 49 1HB ASP 49 1.160 -8.333 -4.539 182 2HB ASP 49 2HB ASP 49 2.032 -9.482 -3.510 183 H LYS 50 H LYS 50 2.847 -8.970 -1.092 184 HA LYS 50 HA LYS 50 1.105 -10.418 0.849 185 1HB LYS 50 1HB LYS 50 3.722 -11.027 -0.418 186 2HB LYS 50 2HB LYS 50 3.631 -11.375 1.307 187 1HG LYS 50 1HG LYS 50 2.963 -13.329 0.039 188 2HG LYS 50 2HG LYS 50 1.605 -12.727 1.005 189 1HD LYS 50 1HD LYS 50 0.678 -11.597 -1.029 190 2HD LYS 50 2HD LYS 50 2.066 -12.147 -1.958 191 1HE LYS 50 1HE LYS 50 0.510 -13.698 -2.573 192 2HE LYS 50 2HE LYS 50 1.256 -14.567 -1.222 193 1HZ LYS 50 1HZ LYS 50 -1.145 -14.635 -1.106 194 2HZ LYS 50 2HZ LYS 50 -0.690 -13.724 0.151 195 3HZ LYS 50 3HZ LYS 50 -1.261 -13.004 -1.189 196 H ALA 51 H ALA 51 2.268 -7.420 0.795 197 HA ALA 51 HA ALA 51 3.794 -7.173 3.145 198 1HB ALA 51 1HB ALA 51 3.499 -5.344 1.596 199 2HB ALA 51 2HB ALA 51 1.771 -5.240 1.985 200 3HB ALA 51 3HB ALA 51 2.977 -4.858 3.221 201 H GLY 52 H GLY 52 0.184 -7.613 2.789 202 1HA GLY 52 1HA GLY 52 -0.375 -7.184 5.538 203 2HA GLY 52 2HA GLY 52 -1.314 -8.176 4.408 204 H ALA 53 H ALA 53 1.029 -10.021 3.898 205 HA ALA 53 HA ALA 53 0.756 -11.757 6.261 206 1HB ALA 53 1HB ALA 53 2.317 -13.240 5.083 207 2HB ALA 53 2HB ALA 53 0.952 -12.835 4.048 208 3HB ALA 53 3HB ALA 53 2.523 -12.053 3.790 209 H ASN 54 H ASN 54 3.262 -9.737 4.709 210 HA ASN 54 HA ASN 54 5.351 -10.586 6.514 211 1HB ASN 54 1HB ASN 54 5.205 -8.092 4.758 212 2HB ASN 54 2HB ASN 54 6.659 -8.729 5.524 213 1HD2 ASN 54 1HD2 ASN 54 6.912 -11.292 5.028 214 2HD2 ASN 54 2HD2 ASN 54 6.812 -11.623 3.308 215 H TYR 55 H TYR 55 3.136 -7.851 6.476 216 HA TYR 55 HA TYR 55 4.207 -6.721 9.019 217 1HB TYR 55 1HB TYR 55 3.331 -5.094 6.622 218 2HB TYR 55 2HB TYR 55 4.148 -4.538 8.081 219 HD1 TYR 55 1HD TYR 55 4.743 -4.316 4.908 220 HD2 TYR 55 2HD TYR 55 6.486 -6.422 8.244 221 HE1 TYR 55 1HE TYR 55 6.966 -4.200 3.827 222 HE2 TYR 55 2HE TYR 55 8.688 -6.353 7.127 223 HH TYR 55 HH TYR 55 9.254 -4.634 4.039 224 H SER 56 H SER 56 2.437 -5.056 9.804 225 HA SER 56 HA SER 56 -0.286 -6.218 9.279 226 1HB SER 56 1HB SER 56 0.740 -4.892 11.807 227 2HB SER 56 2HB SER 56 -0.877 -5.570 11.536 228 HG SER 56 HG SER 56 1.500 -7.091 11.217 229 H GLU 57 H GLU 57 -2.067 -4.552 9.688 230 HA GLU 57 HA GLU 57 -1.818 -2.593 7.741 231 1HB GLU 57 1HB GLU 57 -3.887 -1.597 8.754 232 2HB GLU 57 2HB GLU 57 -4.009 -3.265 8.224 233 1HG GLU 57 1HG GLU 57 -3.365 -2.755 11.136 234 2HG GLU 57 2HG GLU 57 -4.998 -2.470 10.534 235 H GLU 58 H GLU 58 -1.203 -2.195 11.296 236 HA GLU 58 HA GLU 58 -0.927 0.599 11.274 237 1HB GLU 58 1HB GLU 58 0.704 0.248 13.152 238 2HB GLU 58 2HB GLU 58 -0.908 -0.430 13.374 239 1HG GLU 58 1HG GLU 58 1.244 -2.282 12.345 240 2HG GLU 58 2HG GLU 58 1.290 -1.774 14.023 241 H GLU 59 H GLU 59 1.571 -1.833 10.459 242 HA GLU 59 HA GLU 59 3.739 -0.002 10.142 243 1HB GLU 59 1HB GLU 59 3.189 -2.720 8.875 244 2HB GLU 59 2HB GLU 59 4.767 -1.932 8.896 245 1HG GLU 59 1HG GLU 59 3.266 -2.768 11.425 246 2HG GLU 59 2HG GLU 59 4.495 -3.732 10.608 247 H ILE 60 H ILE 60 1.491 -1.533 7.860 248 HA ILE 60 HA ILE 60 2.677 -0.436 5.487 249 HB ILE 60 HB ILE 60 -0.149 -1.414 5.926 250 1HG1 ILE 60 1HG1 ILE 60 2.129 -3.059 4.776 251 2HG1 ILE 60 2HG1 ILE 60 1.773 -3.074 6.500 252 1HG2 ILE 60 1HG2 ILE 60 1.044 -0.258 3.592 253 2HG2 ILE 60 2HG2 ILE 60 0.851 -1.977 3.261 254 3HG2 ILE 60 3HG2 ILE 60 -0.547 -1.024 3.758 255 1HD1 ILE 60 1HD1 ILE 60 -0.241 -3.840 4.374 256 2HD1 ILE 60 2HD1 ILE 60 0.698 -4.948 5.395 257 3HD1 ILE 60 3HD1 ILE 60 -0.488 -3.862 6.132 258 H LEU 61 H LEU 61 -0.112 0.495 7.503 259 HA LEU 61 HA LEU 61 -1.025 2.762 6.144 260 1HB LEU 61 1HB LEU 61 -2.060 1.639 8.154 261 2HB LEU 61 2HB LEU 61 -0.830 2.370 9.168 262 HG LEU 61 HG LEU 61 -1.637 4.636 8.318 263 1HD1 LEU 61 1HD1 LEU 61 -3.964 4.691 7.433 264 2HD1 LEU 61 2HD1 LEU 61 -2.864 3.869 6.319 265 3HD1 LEU 61 3HD1 LEU 61 -3.937 2.915 7.350 266 1HD2 LEU 61 1HD2 LEU 61 -2.217 3.803 10.550 267 2HD2 LEU 61 2HD2 LEU 61 -3.592 4.668 9.835 268 3HD2 LEU 61 3HD2 LEU 61 -3.586 2.890 9.872 269 H ASP 62 H ASP 62 1.431 2.512 8.768 270 HA ASP 62 HA ASP 62 1.980 5.266 8.796 271 1HB ASP 62 1HB ASP 62 2.807 3.249 10.366 272 2HB ASP 62 2HB ASP 62 4.220 3.291 9.316 273 H ILE 63 H ILE 63 3.404 2.605 6.877 274 HA ILE 63 HA ILE 63 5.400 4.228 5.577 275 HB ILE 63 HB ILE 63 4.093 1.561 5.015 276 1HG1 ILE 63 1HG1 ILE 63 7.045 2.179 5.183 277 2HG1 ILE 63 2HG1 ILE 63 6.076 2.136 6.665 278 1HG2 ILE 63 1HG2 ILE 63 4.268 2.245 2.784 279 2HG2 ILE 63 2HG2 ILE 63 5.815 3.102 3.052 280 3HG2 ILE 63 3HG2 ILE 63 5.753 1.342 3.091 281 1HD1 ILE 63 1HD1 ILE 63 7.126 -0.051 6.200 282 2HD1 ILE 63 2HD1 ILE 63 5.355 -0.145 6.234 283 3HD1 ILE 63 3HD1 ILE 63 6.214 -0.168 4.685 284 H ILE 64 H ILE 64 2.030 3.460 4.599 285 HA ILE 64 HA ILE 64 2.109 4.858 2.110 286 HB ILE 64 HB ILE 64 -0.160 4.307 4.055 287 1HG1 ILE 64 1HG1 ILE 64 0.332 2.914 1.422 288 2HG1 ILE 64 2HG1 ILE 64 1.274 2.406 2.822 289 1HG2 ILE 64 1HG2 ILE 64 -0.257 5.256 1.159 290 2HG2 ILE 64 2HG2 ILE 64 -1.653 4.637 2.061 291 3HG2 ILE 64 3HG2 ILE 64 -0.863 6.123 2.585 292 1HD1 ILE 64 1HD1 ILE 64 -0.749 1.943 4.113 293 2HD1 ILE 64 2HD1 ILE 64 -1.760 2.491 2.779 294 3HD1 ILE 64 3HD1 ILE 64 -0.735 1.045 2.601 295 H LEU 65 H LEU 65 1.223 5.925 5.402 296 HA LEU 65 HA LEU 65 0.624 8.626 4.632 297 1HB LEU 65 1HB LEU 65 1.259 7.327 7.294 298 2HB LEU 65 2HB LEU 65 0.692 8.992 7.117 299 HG LEU 65 HG LEU 65 -0.994 6.603 6.191 300 1HD1 LEU 65 1HD1 LEU 65 -0.508 6.557 8.677 301 2HD1 LEU 65 2HD1 LEU 65 -1.102 8.220 8.793 302 3HD1 LEU 65 3HD1 LEU 65 -2.210 6.922 8.310 303 1HD2 LEU 65 1HD2 LEU 65 -2.788 8.262 6.335 304 2HD2 LEU 65 2HD2 LEU 65 -1.603 9.528 6.713 305 3HD2 LEU 65 3HD2 LEU 65 -1.535 8.680 5.145 306 H ASN 66 H ASN 66 3.616 7.035 5.510 307 HA ASN 66 HA ASN 66 5.035 9.597 6.064 308 1HB ASN 66 1HB ASN 66 5.685 6.672 6.618 309 2HB ASN 66 2HB ASN 66 6.868 7.935 6.755 310 1HD2 ASN 66 1HD2 ASN 66 3.594 7.165 7.848 311 2HD2 ASN 66 2HD2 ASN 66 3.876 7.464 9.524 312 H GLY 67 H GLY 67 5.631 6.515 4.306 313 1HA GLY 67 1HA GLY 67 6.481 6.825 1.925 314 2HA GLY 67 2HA GLY 67 7.767 7.785 2.689 315 H GLN 68 H GLN 68 8.935 5.974 1.546 316 HA GLN 68 HA GLN 68 10.067 4.276 3.525 317 1HB GLN 68 1HB GLN 68 8.348 2.531 2.543 318 2HB GLN 68 2HB GLN 68 8.952 2.990 0.966 319 1HG GLN 68 1HG GLN 68 9.759 0.869 1.873 320 2HG GLN 68 2HG GLN 68 11.081 1.958 1.432 321 1HE2 GLN 68 1HE2 GLN 68 10.184 -0.332 3.565 322 2HE2 GLN 68 2HE2 GLN 68 11.089 0.230 4.963 323 H GLY 69 H GLY 69 12.249 3.593 2.531 324 1HA GLY 69 1HA GLY 69 14.077 4.959 1.625 325 2HA GLY 69 2HA GLY 69 13.718 3.599 0.563 326 H GLY 70 H GLY 70 12.854 4.036 -1.591 327 1HA GLY 70 1HA GLY 70 13.146 6.815 -2.538 328 2HA GLY 70 2HA GLY 70 12.977 5.330 -3.474 329 H MET 71 H MET 71 10.617 5.585 -1.010 330 HA MET 71 HA MET 71 8.486 6.056 -3.003 331 1HB MET 71 1HB MET 71 8.496 4.030 -1.615 332 2HB MET 71 2HB MET 71 8.474 4.985 -0.170 333 1HG MET 71 1HG MET 71 6.334 5.879 -0.585 334 2HG MET 71 2HG MET 71 6.211 5.131 -2.177 335 1HE MET 71 1HE MET 71 3.749 3.483 0.664 336 2HE MET 71 2HE MET 71 4.543 5.048 0.927 337 3HE MET 71 3HE MET 71 3.804 4.678 -0.650 338 HA PRO 72 HA PRO 72 8.628 10.181 -1.251 339 1HB PRO 72 1HB PRO 72 6.386 11.329 -2.387 340 2HB PRO 72 2HB PRO 72 7.906 11.007 -3.271 341 1HG PRO 72 1HG PRO 72 5.427 9.294 -3.172 342 2HG PRO 72 2HG PRO 72 6.351 9.782 -4.620 343 1HD PRO 72 1HD PRO 72 6.735 7.359 -3.492 344 2HD PRO 72 2HD PRO 72 8.148 8.298 -4.078 345 H GLY 73 H GLY 73 5.587 8.358 -1.057 346 1HA GLY 73 1HA GLY 73 4.341 7.885 0.832 347 2HA GLY 73 2HA GLY 73 5.411 8.921 1.790 348 H GLY 74 H GLY 74 2.710 8.898 2.171 349 1HA GLY 74 1HA GLY 74 0.937 10.302 2.461 350 2HA GLY 74 2HA GLY 74 1.937 11.686 1.954 351 H ILE 75 H ILE 75 1.785 8.981 -0.170 352 HA ILE 75 HA ILE 75 0.492 10.243 -2.356 353 HB ILE 75 HB ILE 75 1.120 7.382 -1.552 354 1HG1 ILE 75 1HG1 ILE 75 2.321 8.865 -3.894 355 2HG1 ILE 75 2HG1 ILE 75 2.896 9.273 -2.277 356 1HG2 ILE 75 1HG2 ILE 75 -0.775 7.188 -3.046 357 2HG2 ILE 75 2HG2 ILE 75 -0.036 8.334 -4.198 358 3HG2 ILE 75 3HG2 ILE 75 0.678 6.735 -3.933 359 1HD1 ILE 75 1HD1 ILE 75 2.782 6.399 -3.198 360 2HD1 ILE 75 2HD1 ILE 75 4.183 7.424 -3.512 361 3HD1 ILE 75 3HD1 ILE 75 3.682 7.084 -1.839 362 H ALA 76 H ALA 76 -0.724 8.493 0.500 363 HA ALA 76 HA ALA 76 -3.467 9.180 -0.247 364 1HB ALA 76 1HB ALA 76 -2.414 6.381 0.407 365 2HB ALA 76 2HB ALA 76 -4.109 6.826 0.617 366 3HB ALA 76 3HB ALA 76 -3.372 6.863 -1.004 367 H LYS 77 H LYS 77 -4.608 9.810 1.673 368 HA LYS 77 HA LYS 77 -3.389 9.214 4.263 369 1HB LYS 77 1HB LYS 77 -3.925 12.021 3.188 370 2HB LYS 77 2HB LYS 77 -3.757 11.632 4.891 371 1HG LYS 77 1HG LYS 77 -1.510 10.449 3.729 372 2HG LYS 77 2HG LYS 77 -1.664 11.952 2.837 373 1HD LYS 77 1HD LYS 77 -1.508 13.212 4.981 374 2HD LYS 77 2HD LYS 77 -1.583 11.685 5.885 375 1HE LYS 77 1HE LYS 77 0.476 10.969 4.463 376 2HE LYS 77 2HE LYS 77 0.685 12.679 4.078 377 1HZ LYS 77 1HZ LYS 77 1.293 13.034 6.296 378 2HZ LYS 77 2HZ LYS 77 0.550 11.661 6.845 379 3HZ LYS 77 3HZ LYS 77 1.909 11.531 5.944 380 H GLY 78 H GLY 78 -4.746 9.756 6.084 381 1HA GLY 78 1HA GLY 78 -6.696 9.453 7.236 382 2HA GLY 78 2HA GLY 78 -7.478 10.380 5.940 383 H ALA 79 H ALA 79 -9.308 9.166 5.716 384 HA ALA 79 HA ALA 79 -9.838 6.526 5.791 385 1HB ALA 79 1HB ALA 79 -11.530 8.248 5.361 386 2HB ALA 79 2HB ALA 79 -10.909 8.470 3.707 387 3HB ALA 79 3HB ALA 79 -11.656 6.930 4.182 388 H GLU 80 H GLU 80 -8.173 8.177 3.105 389 HA GLU 80 HA GLU 80 -8.296 6.035 1.226 390 1HB GLU 80 1HB GLU 80 -7.664 8.554 0.913 391 2HB GLU 80 2HB GLU 80 -6.050 8.067 1.438 392 1HG GLU 80 1HG GLU 80 -6.049 6.364 -0.427 393 2HG GLU 80 2HG GLU 80 -7.596 7.019 -0.964 394 H ALA 81 H ALA 81 -5.709 6.986 3.612 395 HA ALA 81 HA ALA 81 -4.033 4.754 2.881 396 1HB ALA 81 1HB ALA 81 -3.992 6.506 5.364 397 2HB ALA 81 2HB ALA 81 -2.675 5.470 4.758 398 3HB ALA 81 3HB ALA 81 -3.179 6.878 3.825 399 H GLU 82 H GLU 82 -6.409 5.440 5.488 400 HA GLU 82 HA GLU 82 -6.083 3.078 7.026 401 1HB GLU 82 1HB GLU 82 -8.523 4.781 6.436 402 2HB GLU 82 2HB GLU 82 -8.475 3.510 7.661 403 1HG GLU 82 1HG GLU 82 -6.778 4.645 8.929 404 2HG GLU 82 2HG GLU 82 -6.495 5.836 7.653 405 H ALA 83 H ALA 83 -8.335 3.717 4.308 406 HA ALA 83 HA ALA 83 -9.408 1.139 4.051 407 1HB ALA 83 1HB ALA 83 -8.850 3.186 1.855 408 2HB ALA 83 2HB ALA 83 -9.941 1.797 1.740 409 3HB ALA 83 3HB ALA 83 -10.305 3.098 2.875 410 H VAL 84 H VAL 84 -6.537 2.558 2.325 411 HA VAL 84 HA VAL 84 -5.751 0.242 0.989 412 HB VAL 84 HB VAL 84 -3.939 2.342 2.229 413 1HG1 VAL 84 1HG1 VAL 84 -2.667 0.208 1.884 414 2HG1 VAL 84 2HG1 VAL 84 -3.314 0.104 0.247 415 3HG1 VAL 84 3HG1 VAL 84 -2.227 1.429 0.700 416 1HG2 VAL 84 1HG2 VAL 84 -5.278 3.258 0.371 417 2HG2 VAL 84 2HG2 VAL 84 -3.578 3.043 -0.100 418 3HG2 VAL 84 3HG2 VAL 84 -4.814 1.891 -0.645 419 H ALA 85 H ALA 85 -4.412 1.275 4.194 420 HA ALA 85 HA ALA 85 -2.784 -0.964 4.568 421 1HB ALA 85 1HB ALA 85 -2.688 1.132 5.848 422 2HB ALA 85 2HB ALA 85 -4.179 0.675 6.712 423 3HB ALA 85 3HB ALA 85 -2.712 -0.313 6.881 424 H ALA 86 H ALA 86 -6.183 -0.500 5.715 425 HA ALA 86 HA ALA 86 -6.412 -2.989 7.078 426 1HB ALA 86 1HB ALA 86 -8.852 -2.662 6.753 427 2HB ALA 86 2HB ALA 86 -8.049 -1.181 7.316 428 3HB ALA 86 3HB ALA 86 -8.524 -1.340 5.613 429 H TRP 87 H TRP 87 -7.449 -2.119 3.741 430 HA TRP 87 HA TRP 87 -8.238 -4.697 2.885 431 1HB TRP 87 1HB TRP 87 -8.866 -2.818 1.627 432 2HB TRP 87 2HB TRP 87 -7.203 -2.209 1.623 433 HD1 TRP 87 HD TRP 87 -9.296 -4.720 -0.365 434 HE1 TRP 87 1HE TRP 87 -7.919 -5.504 -2.366 435 HE3 TRP 87 3HE TRP 87 -5.220 -1.782 0.341 436 HZ2 TRP 87 2HZ TRP 87 -5.013 -5.039 -3.286 437 HZ3 TRP 87 3HZ TRP 87 -3.355 -1.816 -1.238 438 HH2 TRP 87 HH TRP 87 -3.410 -3.337 -3.221 439 H LEU 88 H LEU 88 -5.032 -3.139 2.822 440 HA LEU 88 HA LEU 88 -3.844 -5.282 1.350 441 1HB LEU 88 1HB LEU 88 -3.150 -2.702 1.730 442 2HB LEU 88 2HB LEU 88 -2.080 -3.435 2.884 443 HG LEU 88 HG LEU 88 -1.355 -2.903 0.474 444 1HD1 LEU 88 1HD1 LEU 88 -0.206 -4.462 2.125 445 2HD1 LEU 88 2HD1 LEU 88 -0.918 -5.802 1.165 446 3HD1 LEU 88 3HD1 LEU 88 0.135 -4.594 0.370 447 1HD2 LEU 88 1HD2 LEU 88 -1.923 -3.987 -1.363 448 2HD2 LEU 88 2HD2 LEU 88 -2.052 -5.562 -0.601 449 3HD2 LEU 88 3HD2 LEU 88 -3.404 -4.469 -0.486 450 H ALA 89 H ALA 89 -4.005 -4.550 4.816 451 HA ALA 89 HA ALA 89 -2.560 -6.838 5.736 452 1HB ALA 89 1HB ALA 89 -3.154 -5.099 7.249 453 2HB ALA 89 2HB ALA 89 -4.895 -5.381 6.999 454 3HB ALA 89 3HB ALA 89 -3.892 -6.619 7.775 455 H GLU 90 H GLU 90 -5.939 -6.404 4.635 456 HA GLU 90 HA GLU 90 -6.661 -9.142 5.169 457 1HB GLU 90 1HB GLU 90 -8.702 -8.330 4.965 458 2HB GLU 90 2HB GLU 90 -8.003 -6.753 4.679 459 1HG GLU 90 1HG GLU 90 -8.045 -7.395 2.148 460 2HG GLU 90 2HG GLU 90 -9.034 -8.767 2.640 461 H LYS 91 H LYS 91 -4.785 -7.799 2.636 462 HA LYS 91 HA LYS 91 -5.890 -9.211 0.407 463 1HB LYS 91 1HB LYS 91 -4.746 -7.000 0.568 464 2HB LYS 91 2HB LYS 91 -3.192 -7.814 0.750 465 1HG LYS 91 1HG LYS 91 -5.065 -8.017 -1.652 466 2HG LYS 91 2HG LYS 91 -3.804 -6.800 -1.472 467 1HD LYS 91 1HD LYS 91 -2.222 -8.199 -2.246 468 2HD LYS 91 2HD LYS 91 -2.507 -9.228 -0.858 469 1HE LYS 91 1HE LYS 91 -2.861 -10.717 -2.449 470 2HE LYS 91 2HE LYS 91 -4.522 -10.185 -2.174 471 1HZ LYS 91 1HZ LYS 91 -4.112 -10.173 -4.544 472 2HZ LYS 91 2HZ LYS 91 -4.179 -8.589 -4.063 473 3HZ LYS 91 3HZ LYS 91 -2.729 -9.317 -4.333 474 H LYS 92 H LYS 92 -3.713 -10.064 2.840 475 HA LYS 92 HA LYS 92 -1.600 -11.237 1.507 476 1HB LYS 92 1HB LYS 92 -0.886 -11.833 3.654 477 2HB LYS 92 2HB LYS 92 -1.480 -10.184 3.381 478 1HG LYS 92 1HG LYS 92 -2.257 -10.711 5.587 479 2HG LYS 92 2HG LYS 92 -3.653 -10.868 4.554 480 1HD LYS 92 1HD LYS 92 -2.501 -13.454 4.642 481 2HD LYS 92 2HD LYS 92 -2.430 -12.815 6.289 482 1HE LYS 92 1HE LYS 92 -4.841 -12.261 6.227 483 2HE LYS 92 2HE LYS 92 -4.943 -12.746 4.526 484 1HZ LYS 92 1HZ LYS 92 -5.756 -14.444 5.943 485 2HZ LYS 92 2HZ LYS 92 -4.423 -14.949 5.120 486 3HZ LYS 92 3HZ LYS 92 -4.313 -14.569 6.731 487 HHA HEC 93 HHA HEC 93 8.573 -0.099 0.346 488 HHB HEC 93 HHB HEC 93 2.160 0.069 0.729 489 HHC HEC 93 HHC HEC 93 2.207 4.353 -4.065 490 HHD HEC 93 HHD HEC 93 8.453 3.320 -4.998 491 1HMA HEC 93 1HMA HEC 93 4.592 -1.972 3.101 492 2HMA HEC 93 2HMA HEC 93 3.464 -0.605 3.135 493 3HMA HEC 93 3HMA HEC 93 3.224 -1.944 1.982 494 1HAA HEC 93 1HAA HEC 93 6.822 -1.693 3.109 495 2HAA HEC 93 2HAA HEC 93 7.919 -0.501 2.525 496 1HBA HEC 93 1HBA HEC 93 7.930 -2.088 0.417 497 2HBA HEC 93 2HBA HEC 93 7.310 -3.296 1.538 498 1HMB HEC 93 1HMB HEC 93 -0.913 1.242 -1.038 499 2HMB HEC 93 2HMB HEC 93 0.152 -0.153 -1.024 500 3HMB HEC 93 3HMB HEC 93 0.016 0.860 0.419 501 HAB HEC 93 HAB HEC 93 0.244 4.072 -3.487 502 1HBB HEC 93 1HBB HEC 93 -0.500 4.891 -1.351 503 2HBB HEC 93 2HBB HEC 93 -1.876 4.330 -2.317 504 3HBB HEC 93 3HBB HEC 93 -1.281 3.358 -0.961 505 1HMC HEC 93 1HMC HEC 93 3.021 6.019 -5.547 506 2HMC HEC 93 2HMC HEC 93 4.170 5.935 -6.880 507 3HMC HEC 93 3HMC HEC 93 3.037 4.611 -6.629 508 HAC HEC 93 HAC HEC 93 7.817 4.564 -6.541 509 1HBC HEC 93 1HBC HEC 93 6.021 6.997 -6.459 510 2HBC HEC 93 2HBC HEC 93 7.616 6.755 -5.733 511 3HBC HEC 93 3HBC HEC 93 7.452 6.801 -7.491 512 1HMD HEC 93 1HMD HEC 93 11.155 2.757 -3.946 513 2HMD HEC 93 2HMD HEC 93 11.195 0.978 -4.079 514 3HMD HEC 93 3HMD HEC 93 10.109 1.899 -5.101 515 1HAD HEC 93 1HAD HEC 93 10.887 -0.502 -1.314 516 2HAD HEC 93 2HAD HEC 93 10.472 0.462 -0.045 517 1HBD HEC 93 1HBD HEC 93 12.624 0.966 -0.140 518 2HBD HEC 93 2HBD HEC 93 11.727 2.399 -0.627 Start of MODEL 26 1 1H VAL 22 1H VAL 22 -14.722 4.411 -0.309 2 2H VAL 22 2H VAL 22 -13.875 4.476 1.106 3 3H VAL 22 3H VAL 22 -14.395 5.882 0.383 4 HA VAL 22 HA VAL 22 -13.000 5.411 -1.508 5 HB VAL 22 HB VAL 22 -11.550 5.500 1.173 6 1HG1 VAL 22 1HG1 VAL 22 -9.683 6.448 -0.237 7 2HG1 VAL 22 2HG1 VAL 22 -9.958 4.724 -0.490 8 3HG1 VAL 22 3HG1 VAL 22 -10.545 5.909 -1.682 9 1HG2 VAL 22 1HG2 VAL 22 -11.333 7.910 0.626 10 2HG2 VAL 22 2HG2 VAL 22 -12.292 7.674 -0.844 11 3HG2 VAL 22 3HG2 VAL 22 -13.036 7.455 0.756 12 H ASP 23 H ASP 23 -13.014 3.586 -2.618 13 HA ASP 23 HA ASP 23 -12.909 1.033 -1.553 14 1HB ASP 23 1HB ASP 23 -12.561 1.980 -4.421 15 2HB ASP 23 2HB ASP 23 -13.119 0.387 -3.892 16 H ALA 24 H ALA 24 -11.101 0.486 -0.494 17 HA ALA 24 HA ALA 24 -8.600 1.338 -0.634 18 1HB ALA 24 1HB ALA 24 -7.869 -0.713 0.387 19 2HB ALA 24 2HB ALA 24 -9.434 -0.212 1.058 20 3HB ALA 24 3HB ALA 24 -9.373 -1.531 -0.128 21 H GLU 25 H GLU 25 -9.626 -1.572 -2.533 22 HA GLU 25 HA GLU 25 -7.051 -1.826 -3.717 23 1HB GLU 25 1HB GLU 25 -7.830 -3.576 -4.930 24 2HB GLU 25 2HB GLU 25 -8.951 -3.572 -3.566 25 1HG GLU 25 1HG GLU 25 -10.599 -2.363 -4.982 26 2HG GLU 25 2HG GLU 25 -9.454 -2.483 -6.374 27 H ALA 26 H ALA 26 -9.932 0.104 -4.693 28 HA ALA 26 HA ALA 26 -9.063 0.670 -7.345 29 1HB ALA 26 1HB ALA 26 -11.348 1.186 -6.446 30 2HB ALA 26 2HB ALA 26 -10.635 2.551 -5.546 31 3HB ALA 26 3HB ALA 26 -10.575 2.529 -7.310 32 H VAL 27 H VAL 27 -8.399 2.268 -4.214 33 HA VAL 27 HA VAL 27 -6.630 4.320 -5.174 34 HB VAL 27 HB VAL 27 -6.375 2.737 -2.569 35 1HG1 VAL 27 1HG1 VAL 27 -5.432 5.533 -3.258 36 2HG1 VAL 27 2HG1 VAL 27 -5.239 4.696 -1.709 37 3HG1 VAL 27 3HG1 VAL 27 -4.380 4.104 -3.134 38 1HG2 VAL 27 1HG2 VAL 27 -7.933 5.301 -3.095 39 2HG2 VAL 27 2HG2 VAL 27 -8.654 3.718 -2.742 40 3HG2 VAL 27 3HG2 VAL 27 -7.676 4.520 -1.520 41 H VAL 28 H VAL 28 -5.825 0.948 -4.039 42 HA VAL 28 HA VAL 28 -3.123 1.380 -5.013 43 HB VAL 28 HB VAL 28 -4.452 -0.964 -3.777 44 1HG1 VAL 28 1HG1 VAL 28 -2.156 -1.596 -2.883 45 2HG1 VAL 28 2HG1 VAL 28 -2.295 -1.705 -4.622 46 3HG1 VAL 28 3HG1 VAL 28 -1.458 -0.336 -3.877 47 1HG2 VAL 28 1HG2 VAL 28 -4.686 0.458 -2.053 48 2HG2 VAL 28 2HG2 VAL 28 -2.942 0.249 -1.782 49 3HG2 VAL 28 3HG2 VAL 28 -3.512 1.640 -2.683 50 H GLN 29 H GLN 29 -5.775 0.615 -6.694 51 HA GLN 29 HA GLN 29 -4.200 -0.720 -8.829 52 1HB GLN 29 1HB GLN 29 -7.159 -0.429 -8.275 53 2HB GLN 29 2HB GLN 29 -6.568 -1.129 -9.756 54 1HG GLN 29 1HG GLN 29 -5.964 -2.242 -6.978 55 2HG GLN 29 2HG GLN 29 -7.122 -2.868 -8.145 56 1HE2 GLN 29 1HE2 GLN 29 -3.589 -2.361 -7.516 57 2HE2 GLN 29 2HE2 GLN 29 -3.098 -3.637 -8.625 58 H GLN 30 H GLN 30 -4.674 2.357 -7.791 59 HA GLN 30 HA GLN 30 -4.072 3.251 -10.581 60 1HB GLN 30 1HB GLN 30 -6.358 3.971 -9.278 61 2HB GLN 30 2HB GLN 30 -5.271 5.230 -8.687 62 1HG GLN 30 1HG GLN 30 -4.573 5.640 -11.109 63 2HG GLN 30 2HG GLN 30 -5.851 4.517 -11.600 64 1HE2 GLN 30 1HE2 GLN 30 -7.977 5.206 -9.931 65 2HE2 GLN 30 2HE2 GLN 30 -8.431 6.870 -10.265 66 H LYS 31 H LYS 31 -3.439 3.761 -7.122 67 HA LYS 31 HA LYS 31 -1.679 6.043 -7.713 68 1HB LYS 31 1HB LYS 31 -3.606 5.300 -5.670 69 2HB LYS 31 2HB LYS 31 -2.066 5.573 -4.893 70 1HG LYS 31 1HG LYS 31 -1.942 7.808 -5.977 71 2HG LYS 31 2HG LYS 31 -3.490 7.488 -6.797 72 1HD LYS 31 1HD LYS 31 -4.626 7.251 -4.607 73 2HD LYS 31 2HD LYS 31 -3.086 7.499 -3.771 74 1HE LYS 31 1HE LYS 31 -2.982 9.796 -4.938 75 2HE LYS 31 2HE LYS 31 -4.663 9.506 -5.436 76 1HZ LYS 31 1HZ LYS 31 -5.197 9.261 -3.072 77 2HZ LYS 31 2HZ LYS 31 -3.631 9.607 -2.677 78 3HZ LYS 31 3HZ LYS 31 -4.592 10.743 -3.394 79 H CYS 32 H CYS 32 -1.363 2.742 -6.972 80 HA CYS 32 HA CYS 32 1.371 3.068 -5.823 81 1HB CYS 32 1HB CYS 32 -0.492 0.743 -5.510 82 2HB CYS 32 2HB CYS 32 0.903 1.118 -4.502 83 H ILE 33 H ILE 33 -0.647 1.243 -8.076 84 HA ILE 33 HA ILE 33 1.140 -0.710 -8.893 85 HB ILE 33 HB ILE 33 -0.053 -0.754 -11.036 86 1HG1 ILE 33 1HG1 ILE 33 -1.713 1.617 -10.069 87 2HG1 ILE 33 2HG1 ILE 33 -0.410 1.783 -11.249 88 1HG2 ILE 33 1HG2 ILE 33 -0.959 -1.763 -8.879 89 2HG2 ILE 33 2HG2 ILE 33 -1.963 -0.306 -8.751 90 3HG2 ILE 33 3HG2 ILE 33 -2.196 -1.426 -10.097 91 1HD1 ILE 33 1HD1 ILE 33 -2.554 1.604 -12.376 92 2HD1 ILE 33 2HD1 ILE 33 -1.498 0.238 -12.784 93 3HD1 ILE 33 3HD1 ILE 33 -2.846 0.016 -11.655 94 H SER 34 H SER 34 1.166 2.704 -9.697 95 HA SER 34 HA SER 34 2.743 3.077 -11.823 96 1HB SER 34 1HB SER 34 3.286 4.443 -9.176 97 2HB SER 34 2HB SER 34 3.216 5.163 -10.793 98 HG SER 34 HG SER 34 0.935 4.775 -10.740 99 H CYS 35 H CYS 35 3.870 1.961 -8.596 100 HA CYS 35 HA CYS 35 6.590 1.494 -9.773 101 1HB CYS 35 1HB CYS 35 6.142 2.176 -6.871 102 2HB CYS 35 2HB CYS 35 7.636 2.179 -7.788 103 H HIS 36 H HIS 36 4.061 0.327 -7.481 104 HA HIS 36 HA HIS 36 5.606 -2.105 -6.961 105 1HB HIS 36 1HB HIS 36 2.813 -1.267 -6.161 106 2HB HIS 36 2HB HIS 36 3.598 -2.776 -5.685 107 HD1 HIS 36 1HD HIS 36 5.800 -2.583 -4.051 108 HD2 HIS 36 2HD HIS 36 3.609 0.955 -4.834 109 HE1 HIS 36 1HE HIS 36 6.464 -0.872 -2.280 110 H GLY 37 H GLY 37 3.657 -1.169 -9.632 111 1HA GLY 37 1HA GLY 37 3.299 -2.434 -11.513 112 2HA GLY 37 2HA GLY 37 3.755 -3.921 -10.668 113 H GLY 38 H GLY 38 1.465 -3.649 -12.353 114 1HA GLY 38 1HA GLY 38 -0.991 -2.965 -11.421 115 2HA GLY 38 2HA GLY 38 -0.702 -4.405 -12.401 116 H ASP 39 H ASP 39 0.266 -6.312 -11.041 117 HA ASP 39 HA ASP 39 -1.686 -7.075 -9.144 118 1HB ASP 39 1HB ASP 39 0.961 -8.403 -9.820 119 2HB ASP 39 2HB ASP 39 -0.484 -9.183 -9.159 120 H LEU 40 H LEU 40 0.948 -5.065 -8.583 121 HA LEU 40 HA LEU 40 2.043 -4.330 -6.780 122 1HB LEU 40 1HB LEU 40 0.172 -5.994 -5.085 123 2HB LEU 40 2HB LEU 40 1.102 -4.588 -4.596 124 HG LEU 40 HG LEU 40 -0.937 -4.363 -6.862 125 1HD1 LEU 40 1HD1 LEU 40 -2.645 -3.768 -5.340 126 2HD1 LEU 40 2HD1 LEU 40 -2.072 -5.386 -4.949 127 3HD1 LEU 40 3HD1 LEU 40 -1.568 -4.016 -3.932 128 1HD2 LEU 40 1HD2 LEU 40 0.105 -2.302 -4.899 129 2HD2 LEU 40 2HD2 LEU 40 0.759 -2.549 -6.528 130 3HD2 LEU 40 3HD2 LEU 40 -0.904 -2.041 -6.337 131 H THR 41 H THR 41 2.718 -6.888 -8.171 132 HA THR 41 HA THR 41 4.130 -8.573 -6.313 133 HB THR 41 HB THR 41 4.831 -9.475 -8.685 134 HG1 THR 41 1HG THR 41 3.324 -8.674 -10.282 135 1HG2 THR 41 1HG2 THR 41 2.574 -10.505 -8.986 136 2HG2 THR 41 2HG2 THR 41 3.106 -10.555 -7.296 137 3HG2 THR 41 3HG2 THR 41 1.900 -9.362 -7.806 138 H GLY 42 H GLY 42 4.839 -5.494 -7.602 139 1HA GLY 42 1HA GLY 42 6.663 -4.342 -6.833 140 2HA GLY 42 2HA GLY 42 7.597 -5.826 -6.626 141 H ALA 43 H ALA 43 6.990 -3.163 -8.756 142 HA ALA 43 HA ALA 43 8.512 -4.477 -10.980 143 1HB ALA 43 1HB ALA 43 7.675 -2.643 -12.369 144 2HB ALA 43 2HB ALA 43 6.364 -3.604 -11.660 145 3HB ALA 43 3HB ALA 43 6.740 -2.005 -11.003 146 H SER 44 H SER 44 8.220 -1.165 -9.677 147 HA SER 44 HA SER 44 11.181 -0.803 -9.822 148 1HB SER 44 1HB SER 44 9.734 0.807 -11.095 149 2HB SER 44 2HB SER 44 8.990 1.287 -9.555 150 HG SER 44 HG SER 44 11.220 1.708 -8.855 151 H ALA 45 H ALA 45 9.038 -1.942 -7.654 152 HA ALA 45 HA ALA 45 10.324 -0.846 -5.249 153 1HB ALA 45 1HB ALA 45 8.091 -0.361 -4.291 154 2HB ALA 45 2HB ALA 45 8.314 0.597 -5.759 155 3HB ALA 45 3HB ALA 45 7.315 -0.861 -5.806 156 HA PRO 46 HA PRO 46 9.901 -5.172 -4.389 157 1HB PRO 46 1HB PRO 46 9.279 -5.379 -1.708 158 2HB PRO 46 2HB PRO 46 10.881 -4.874 -2.316 159 1HG PRO 46 1HG PRO 46 8.587 -3.097 -1.458 160 2HG PRO 46 2HG PRO 46 10.293 -3.004 -0.924 161 1HD PRO 46 1HD PRO 46 9.371 -1.413 -2.900 162 2HD PRO 46 2HD PRO 46 10.983 -2.161 -3.069 163 H ALA 47 H ALA 47 8.402 -6.885 -3.797 164 HA ALA 47 HA ALA 47 5.741 -6.448 -4.723 165 1HB ALA 47 1HB ALA 47 6.864 -8.794 -3.108 166 2HB ALA 47 2HB ALA 47 5.389 -8.790 -4.095 167 3HB ALA 47 3HB ALA 47 6.987 -8.650 -4.863 168 H ILE 48 H ILE 48 4.202 -5.410 -3.568 169 HA ILE 48 HA ILE 48 4.168 -5.841 -0.610 170 HB ILE 48 HB ILE 48 3.100 -3.760 -0.201 171 1HG1 ILE 48 1HG1 ILE 48 3.259 -1.935 -1.935 172 2HG1 ILE 48 2HG1 ILE 48 3.375 -3.202 -3.155 173 1HG2 ILE 48 1HG2 ILE 48 5.579 -4.024 -0.192 174 2HG2 ILE 48 2HG2 ILE 48 5.610 -3.412 -1.859 175 3HG2 ILE 48 3HG2 ILE 48 5.053 -2.368 -0.540 176 1HD1 ILE 48 1HD1 ILE 48 1.054 -2.264 -2.803 177 2HD1 ILE 48 2HD1 ILE 48 1.081 -3.995 -2.420 178 3HD1 ILE 48 3HD1 ILE 48 1.106 -2.793 -1.117 179 H ASP 49 H ASP 49 2.771 -6.900 -3.409 180 HA ASP 49 HA ASP 49 0.141 -7.228 -2.808 181 1HB ASP 49 1HB ASP 49 0.428 -8.384 -4.704 182 2HB ASP 49 2HB ASP 49 2.137 -8.608 -4.403 183 H LYS 50 H LYS 50 2.813 -8.934 -1.224 184 HA LYS 50 HA LYS 50 0.918 -10.287 0.639 185 1HB LYS 50 1HB LYS 50 3.555 -11.074 -0.466 186 2HB LYS 50 2HB LYS 50 3.382 -11.325 1.267 187 1HG LYS 50 1HG LYS 50 2.651 -13.330 0.230 188 2HG LYS 50 2HG LYS 50 1.215 -12.532 0.884 189 1HD LYS 50 1HD LYS 50 0.909 -11.518 -1.468 190 2HD LYS 50 2HD LYS 50 2.219 -12.566 -2.000 191 1HE LYS 50 1HE LYS 50 0.231 -13.621 -2.655 192 2HE LYS 50 2HE LYS 50 0.765 -14.541 -1.233 193 1HZ LYS 50 1HZ LYS 50 -0.857 -13.306 0.065 194 2HZ LYS 50 2HZ LYS 50 -1.270 -12.389 -1.231 195 3HZ LYS 50 3HZ LYS 50 -1.613 -13.997 -1.195 196 H ALA 51 H ALA 51 2.156 -7.346 0.572 197 HA ALA 51 HA ALA 51 3.723 -7.066 2.866 198 1HB ALA 51 1HB ALA 51 1.769 -5.126 1.623 199 2HB ALA 51 2HB ALA 51 2.842 -4.727 2.965 200 3HB ALA 51 3HB ALA 51 3.535 -5.244 1.423 201 H GLY 52 H GLY 52 0.023 -7.341 2.744 202 1HA GLY 52 1HA GLY 52 -0.346 -6.798 5.471 203 2HA GLY 52 2HA GLY 52 -1.296 -7.864 4.434 204 H ALA 53 H ALA 53 0.910 -9.777 3.904 205 HA ALA 53 HA ALA 53 0.796 -11.351 6.397 206 1HB ALA 53 1HB ALA 53 0.720 -12.526 4.221 207 2HB ALA 53 2HB ALA 53 2.317 -11.867 3.801 208 3HB ALA 53 3HB ALA 53 2.144 -12.981 5.161 209 H ASN 54 H ASN 54 3.184 -9.485 4.558 210 HA ASN 54 HA ASN 54 5.401 -10.294 6.211 211 1HB ASN 54 1HB ASN 54 5.177 -7.846 4.432 212 2HB ASN 54 2HB ASN 54 6.667 -8.570 5.043 213 1HD2 ASN 54 1HD2 ASN 54 6.232 -8.119 2.279 214 2HD2 ASN 54 2HD2 ASN 54 6.110 -9.686 1.500 215 H TYR 55 H TYR 55 3.114 -7.589 6.372 216 HA TYR 55 HA TYR 55 4.355 -6.532 8.851 217 1HB TYR 55 1HB TYR 55 3.442 -4.683 6.651 218 2HB TYR 55 2HB TYR 55 4.510 -4.346 8.008 219 HD1 TYR 55 1HD TYR 55 4.433 -4.594 4.564 220 HD2 TYR 55 2HD TYR 55 6.791 -5.892 7.925 221 HE1 TYR 55 1HE TYR 55 6.370 -4.957 3.057 222 HE2 TYR 55 2HE TYR 55 8.703 -6.333 6.399 223 HH TYR 55 HH TYR 55 8.870 -5.191 3.184 224 H SER 56 H SER 56 2.811 -5.232 10.076 225 HA SER 56 HA SER 56 0.061 -6.214 9.738 226 1HB SER 56 1HB SER 56 1.282 -6.045 11.961 227 2HB SER 56 2HB SER 56 1.155 -4.287 11.820 228 HG SER 56 HG SER 56 -0.911 -6.220 12.060 229 H GLU 57 H GLU 57 -1.771 -4.610 10.010 230 HA GLU 57 HA GLU 57 -1.783 -2.831 7.798 231 1HB GLU 57 1HB GLU 57 -3.905 -1.926 8.740 232 2HB GLU 57 2HB GLU 57 -3.924 -3.650 8.476 233 1HG GLU 57 1HG GLU 57 -3.682 -4.092 10.865 234 2HG GLU 57 2HG GLU 57 -3.444 -2.365 11.200 235 H GLU 58 H GLU 58 -1.273 -2.172 11.294 236 HA GLU 58 HA GLU 58 -1.062 0.614 11.136 237 1HB GLU 58 1HB GLU 58 0.365 0.403 13.193 238 2HB GLU 58 2HB GLU 58 -1.220 -0.371 13.262 239 1HG GLU 58 1HG GLU 58 -0.206 -2.593 12.940 240 2HG GLU 58 2HG GLU 58 1.400 -1.847 12.775 241 H GLU 59 H GLU 59 1.508 -1.809 10.521 242 HA GLU 59 HA GLU 59 3.652 0.068 10.231 243 1HB GLU 59 1HB GLU 59 3.225 -2.720 9.062 244 2HB GLU 59 2HB GLU 59 4.757 -1.851 9.040 245 1HG GLU 59 1HG GLU 59 4.812 -1.810 11.502 246 2HG GLU 59 2HG GLU 59 3.264 -2.665 11.572 247 H ILE 60 H ILE 60 1.443 -1.479 7.913 248 HA ILE 60 HA ILE 60 2.652 -0.336 5.553 249 HB ILE 60 HB ILE 60 -0.181 -1.325 5.933 250 1HG1 ILE 60 1HG1 ILE 60 2.270 -2.871 4.956 251 2HG1 ILE 60 2HG1 ILE 60 1.552 -3.052 6.550 252 1HG2 ILE 60 1HG2 ILE 60 1.256 -1.594 3.312 253 2HG2 ILE 60 2HG2 ILE 60 -0.463 -1.355 3.648 254 3HG2 ILE 60 3HG2 ILE 60 0.670 0.004 3.751 255 1HD1 ILE 60 1HD1 ILE 60 -0.602 -3.751 5.514 256 2HD1 ILE 60 2HD1 ILE 60 0.214 -3.746 3.928 257 3HD1 ILE 60 3HD1 ILE 60 0.770 -4.831 5.213 258 H LEU 61 H LEU 61 -0.171 0.516 7.552 259 HA LEU 61 HA LEU 61 -1.120 2.809 6.312 260 1HB LEU 61 1HB LEU 61 -2.088 1.632 8.292 261 2HB LEU 61 2HB LEU 61 -0.809 2.254 9.301 262 HG LEU 61 HG LEU 61 -1.559 4.586 8.818 263 1HD1 LEU 61 1HD1 LEU 61 -3.895 3.122 7.533 264 2HD1 LEU 61 2HD1 LEU 61 -3.899 4.854 7.942 265 3HD1 LEU 61 3HD1 LEU 61 -2.779 4.233 6.721 266 1HD2 LEU 61 1HD2 LEU 61 -3.503 4.475 10.325 267 2HD2 LEU 61 2HD2 LEU 61 -3.610 2.720 10.068 268 3HD2 LEU 61 3HD2 LEU 61 -2.192 3.419 10.881 269 H ASP 62 H ASP 62 1.377 2.568 8.917 270 HA ASP 62 HA ASP 62 1.943 5.352 8.966 271 1HB ASP 62 1HB ASP 62 2.732 3.802 10.719 272 2HB ASP 62 2HB ASP 62 3.862 3.065 9.569 273 H ILE 63 H ILE 63 3.384 2.681 7.082 274 HA ILE 63 HA ILE 63 5.450 4.281 5.883 275 HB ILE 63 HB ILE 63 4.126 1.628 5.283 276 1HG1 ILE 63 1HG1 ILE 63 7.045 2.323 5.782 277 2HG1 ILE 63 2HG1 ILE 63 5.887 2.047 7.089 278 1HG2 ILE 63 1HG2 ILE 63 5.816 1.295 3.454 279 2HG2 ILE 63 2HG2 ILE 63 4.474 2.356 3.054 280 3HG2 ILE 63 3HG2 ILE 63 6.081 3.044 3.438 281 1HD1 ILE 63 1HD1 ILE 63 5.397 -0.226 6.168 282 2HD1 ILE 63 2HD1 ILE 63 6.709 0.006 4.991 283 3HD1 ILE 63 3HD1 ILE 63 7.067 -0.004 6.718 284 H ILE 64 H ILE 64 2.131 3.534 4.793 285 HA ILE 64 HA ILE 64 2.280 4.904 2.286 286 HB ILE 64 HB ILE 64 -0.025 4.311 4.183 287 1HG1 ILE 64 1HG1 ILE 64 0.588 3.031 1.505 288 2HG1 ILE 64 2HG1 ILE 64 1.368 2.434 2.969 289 1HG2 ILE 64 1HG2 ILE 64 -0.085 5.388 1.332 290 2HG2 ILE 64 2HG2 ILE 64 -1.487 4.733 2.202 291 3HG2 ILE 64 3HG2 ILE 64 -0.707 6.194 2.790 292 1HD1 ILE 64 1HD1 ILE 64 -1.654 2.629 2.626 293 2HD1 ILE 64 2HD1 ILE 64 -0.670 1.167 2.479 294 3HD1 ILE 64 3HD1 ILE 64 -0.797 2.003 4.037 295 H LEU 65 H LEU 65 1.208 5.971 5.545 296 HA LEU 65 HA LEU 65 0.593 8.644 4.769 297 1HB LEU 65 1HB LEU 65 1.411 7.462 7.437 298 2HB LEU 65 2HB LEU 65 0.782 9.096 7.226 299 HG LEU 65 HG LEU 65 -0.897 6.657 6.427 300 1HD1 LEU 65 1HD1 LEU 65 -1.970 6.918 8.649 301 2HD1 LEU 65 2HD1 LEU 65 -0.254 6.504 8.854 302 3HD1 LEU 65 3HD1 LEU 65 -0.798 8.174 9.089 303 1HD2 LEU 65 1HD2 LEU 65 -1.531 8.746 5.505 304 2HD2 LEU 65 2HD2 LEU 65 -2.729 8.205 6.698 305 3HD2 LEU 65 3HD2 LEU 65 -1.607 9.513 7.124 306 H ASN 66 H ASN 66 3.614 7.121 5.758 307 HA ASN 66 HA ASN 66 5.030 9.687 6.129 308 1HB ASN 66 1HB ASN 66 5.640 6.797 6.875 309 2HB ASN 66 2HB ASN 66 6.836 8.050 6.973 310 1HD2 ASN 66 1HD2 ASN 66 3.637 7.178 8.111 311 2HD2 ASN 66 2HD2 ASN 66 3.980 7.557 9.755 312 H GLY 67 H GLY 67 5.832 6.502 4.587 313 1HA GLY 67 1HA GLY 67 6.830 6.858 2.236 314 2HA GLY 67 2HA GLY 67 8.059 7.784 3.117 315 H GLN 68 H GLN 68 9.228 5.969 1.920 316 HA GLN 68 HA GLN 68 10.469 4.285 3.852 317 1HB GLN 68 1HB GLN 68 8.769 2.482 3.153 318 2HB GLN 68 2HB GLN 68 9.035 2.915 1.509 319 1HG GLN 68 1HG GLN 68 9.968 0.855 2.033 320 2HG GLN 68 2HG GLN 68 11.216 1.969 1.482 321 1HE2 GLN 68 1HE2 GLN 68 10.800 -0.564 3.412 322 2HE2 GLN 68 2HE2 GLN 68 11.934 -0.139 4.691 323 H GLY 69 H GLY 69 12.527 3.436 2.631 324 1HA GLY 69 1HA GLY 69 14.335 4.853 1.670 325 2HA GLY 69 2HA GLY 69 13.932 3.457 0.670 326 H GLY 70 H GLY 70 13.034 3.819 -1.479 327 1HA GLY 70 1HA GLY 70 12.825 6.649 -2.400 328 2HA GLY 70 2HA GLY 70 13.021 5.188 -3.374 329 H MET 71 H MET 71 10.752 5.766 -0.686 330 HA MET 71 HA MET 71 8.413 5.223 -2.472 331 1HB MET 71 1HB MET 71 8.933 3.474 -0.912 332 2HB MET 71 2HB MET 71 9.112 4.619 0.341 333 1HG MET 71 1HG MET 71 7.049 3.316 0.677 334 2HG MET 71 2HG MET 71 6.935 5.065 0.655 335 1HE MET 71 1HE MET 71 3.403 4.385 -0.378 336 2HE MET 71 2HE MET 71 4.364 3.491 0.818 337 3HE MET 71 3HE MET 71 4.500 5.260 0.707 338 HA PRO 72 HA PRO 72 8.504 9.566 -1.513 339 1HB PRO 72 1HB PRO 72 6.145 10.431 -2.714 340 2HB PRO 72 2HB PRO 72 7.655 10.035 -3.583 341 1HG PRO 72 1HG PRO 72 5.287 8.215 -3.084 342 2HG PRO 72 2HG PRO 72 6.116 8.522 -4.642 343 1HD PRO 72 1HD PRO 72 6.676 6.352 -3.185 344 2HD PRO 72 2HD PRO 72 8.049 7.265 -3.891 345 H GLY 73 H GLY 73 5.544 7.777 -0.755 346 1HA GLY 73 1HA GLY 73 4.389 7.723 1.248 347 2HA GLY 73 2HA GLY 73 5.500 8.928 1.908 348 H GLY 74 H GLY 74 2.754 8.936 2.353 349 1HA GLY 74 1HA GLY 74 1.020 10.408 2.498 350 2HA GLY 74 2HA GLY 74 2.038 11.662 1.748 351 H ILE 75 H ILE 75 1.751 8.762 -0.093 352 HA ILE 75 HA ILE 75 0.351 9.948 -2.279 353 HB ILE 75 HB ILE 75 0.835 7.047 -1.471 354 1HG1 ILE 75 1HG1 ILE 75 2.939 8.236 -1.851 355 2HG1 ILE 75 2HG1 ILE 75 2.632 7.043 -3.108 356 1HG2 ILE 75 1HG2 ILE 75 -0.300 8.191 -4.040 357 2HG2 ILE 75 2HG2 ILE 75 0.477 6.599 -3.958 358 3HG2 ILE 75 3HG2 ILE 75 -0.962 6.927 -2.989 359 1HD1 ILE 75 1HD1 ILE 75 1.780 8.927 -4.595 360 2HD1 ILE 75 2HD1 ILE 75 2.333 10.067 -3.343 361 3HD1 ILE 75 3HD1 ILE 75 3.486 9.023 -4.176 362 H ALA 76 H ALA 76 -0.697 8.300 0.661 363 HA ALA 76 HA ALA 76 -3.501 8.958 0.043 364 1HB ALA 76 1HB ALA 76 -2.400 6.258 0.928 365 2HB ALA 76 2HB ALA 76 -4.099 6.699 1.067 366 3HB ALA 76 3HB ALA 76 -3.327 6.588 -0.531 367 H LYS 77 H LYS 77 -4.508 9.718 1.934 368 HA LYS 77 HA LYS 77 -3.107 9.610 4.500 369 1HB LYS 77 1HB LYS 77 -3.784 12.092 2.913 370 2HB LYS 77 2HB LYS 77 -3.775 12.141 4.665 371 1HG LYS 77 1HG LYS 77 -1.324 11.218 3.095 372 2HG LYS 77 2HG LYS 77 -1.697 12.921 3.365 373 1HD LYS 77 1HD LYS 77 -1.893 12.212 5.905 374 2HD LYS 77 2HD LYS 77 -0.893 10.850 5.414 375 1HE LYS 77 1HE LYS 77 -0.166 13.784 5.006 376 2HE LYS 77 2HE LYS 77 0.322 12.823 6.400 377 1HZ LYS 77 1HZ LYS 77 1.086 12.220 3.631 378 2HZ LYS 77 2HZ LYS 77 2.040 12.931 4.754 379 3HZ LYS 77 3HZ LYS 77 1.592 11.383 4.952 380 H GLY 78 H GLY 78 -4.568 9.958 6.252 381 1HA GLY 78 1HA GLY 78 -6.530 9.554 7.337 382 2HA GLY 78 2HA GLY 78 -7.304 10.522 6.071 383 H ALA 79 H ALA 79 -9.111 9.292 5.800 384 HA ALA 79 HA ALA 79 -9.721 6.710 5.785 385 1HB ALA 79 1HB ALA 79 -11.436 7.163 4.088 386 2HB ALA 79 2HB ALA 79 -11.317 8.486 5.263 387 3HB ALA 79 3HB ALA 79 -10.613 8.670 3.638 388 H GLU 80 H GLU 80 -8.001 8.286 3.098 389 HA GLU 80 HA GLU 80 -8.084 6.139 1.256 390 1HB GLU 80 1HB GLU 80 -7.426 8.654 1.007 391 2HB GLU 80 2HB GLU 80 -5.828 8.148 1.514 392 1HG GLU 80 1HG GLU 80 -5.385 7.588 -0.634 393 2HG GLU 80 2HG GLU 80 -6.639 6.352 -0.582 394 H ALA 81 H ALA 81 -5.573 6.998 3.756 395 HA ALA 81 HA ALA 81 -3.910 4.731 3.051 396 1HB ALA 81 1HB ALA 81 -3.066 6.902 3.985 397 2HB ALA 81 2HB ALA 81 -3.852 6.493 5.525 398 3HB ALA 81 3HB ALA 81 -2.538 5.475 4.880 399 H GLU 82 H GLU 82 -6.320 5.540 5.572 400 HA GLU 82 HA GLU 82 -6.102 3.264 7.236 401 1HB GLU 82 1HB GLU 82 -8.540 4.874 6.410 402 2HB GLU 82 2HB GLU 82 -8.498 3.756 7.767 403 1HG GLU 82 1HG GLU 82 -7.035 5.119 9.026 404 2HG GLU 82 2HG GLU 82 -6.511 6.060 7.631 405 H ALA 83 H ALA 83 -8.278 3.790 4.446 406 HA ALA 83 HA ALA 83 -9.401 1.222 4.298 407 1HB ALA 83 1HB ALA 83 -8.846 3.200 2.038 408 2HB ALA 83 2HB ALA 83 -9.981 1.837 1.982 409 3HB ALA 83 3HB ALA 83 -10.278 3.180 3.090 410 H VAL 84 H VAL 84 -6.547 2.562 2.499 411 HA VAL 84 HA VAL 84 -5.805 0.241 1.143 412 HB VAL 84 HB VAL 84 -3.974 2.293 2.432 413 1HG1 VAL 84 1HG1 VAL 84 -3.438 0.045 0.445 414 2HG1 VAL 84 2HG1 VAL 84 -2.339 1.412 0.700 415 3HG1 VAL 84 3HG1 VAL 84 -2.669 0.274 2.017 416 1HG2 VAL 84 1HG2 VAL 84 -5.658 2.809 0.332 417 2HG2 VAL 84 2HG2 VAL 84 -4.047 3.547 0.559 418 3HG2 VAL 84 3HG2 VAL 84 -4.243 2.170 -0.513 419 H ALA 85 H ALA 85 -4.549 1.247 4.383 420 HA ALA 85 HA ALA 85 -2.876 -0.924 4.829 421 1HB ALA 85 1HB ALA 85 -4.503 0.667 6.859 422 2HB ALA 85 2HB ALA 85 -3.073 -0.326 7.201 423 3HB ALA 85 3HB ALA 85 -2.926 1.110 6.166 424 H ALA 86 H ALA 86 -6.275 -0.622 6.000 425 HA ALA 86 HA ALA 86 -6.393 -3.169 7.241 426 1HB ALA 86 1HB ALA 86 -8.848 -2.868 7.107 427 2HB ALA 86 2HB ALA 86 -8.027 -1.394 7.657 428 3HB ALA 86 3HB ALA 86 -8.623 -1.506 5.985 429 H TRP 87 H TRP 87 -7.491 -2.173 3.964 430 HA TRP 87 HA TRP 87 -8.367 -4.719 3.052 431 1HB TRP 87 1HB TRP 87 -8.952 -2.746 1.859 432 2HB TRP 87 2HB TRP 87 -7.242 -2.256 1.797 433 HD1 TRP 87 HD TRP 87 -9.545 -4.674 -0.143 434 HE1 TRP 87 1HE TRP 87 -8.250 -5.466 -2.198 435 HE3 TRP 87 3HE TRP 87 -5.292 -1.906 0.494 436 HZ2 TRP 87 2HZ TRP 87 -5.197 -5.007 -3.078 437 HZ3 TRP 87 3HZ TRP 87 -3.900 -1.521 -1.411 438 HH2 TRP 87 HH TRP 87 -3.887 -3.118 -3.309 439 H LEU 88 H LEU 88 -5.110 -3.189 2.916 440 HA LEU 88 HA LEU 88 -3.940 -5.296 1.426 441 1HB LEU 88 1HB LEU 88 -3.120 -2.790 2.305 442 2HB LEU 88 2HB LEU 88 -2.097 -3.865 3.235 443 HG LEU 88 HG LEU 88 -1.288 -3.067 0.996 444 1HD1 LEU 88 1HD1 LEU 88 -0.248 -5.091 0.341 445 2HD1 LEU 88 2HD1 LEU 88 -0.469 -5.266 2.096 446 3HD1 LEU 88 3HD1 LEU 88 -1.562 -6.106 0.964 447 1HD2 LEU 88 1HD2 LEU 88 -2.904 -2.802 -0.133 448 2HD2 LEU 88 2HD2 LEU 88 -1.808 -3.824 -1.055 449 3HD2 LEU 88 3HD2 LEU 88 -3.332 -4.522 -0.437 450 H ALA 89 H ALA 89 -4.089 -4.741 4.903 451 HA ALA 89 HA ALA 89 -2.691 -7.053 5.826 452 1HB ALA 89 1HB ALA 89 -3.222 -5.308 7.298 453 2HB ALA 89 2HB ALA 89 -4.978 -5.542 7.088 454 3HB ALA 89 3HB ALA 89 -3.994 -6.794 7.878 455 H GLU 90 H GLU 90 -5.965 -6.651 4.544 456 HA GLU 90 HA GLU 90 -6.726 -9.412 5.096 457 1HB GLU 90 1HB GLU 90 -8.228 -7.548 5.278 458 2HB GLU 90 2HB GLU 90 -8.056 -7.129 3.590 459 1HG GLU 90 1HG GLU 90 -8.977 -9.934 4.239 460 2HG GLU 90 2HG GLU 90 -10.100 -8.587 4.468 461 H LYS 91 H LYS 91 -5.023 -7.748 2.490 462 HA LYS 91 HA LYS 91 -6.102 -9.234 0.288 463 1HB LYS 91 1HB LYS 91 -5.068 -6.899 0.456 464 2HB LYS 91 2HB LYS 91 -3.484 -7.661 0.505 465 1HG LYS 91 1HG LYS 91 -5.542 -7.759 -1.749 466 2HG LYS 91 2HG LYS 91 -4.107 -6.740 -1.641 467 1HD LYS 91 1HD LYS 91 -3.030 -9.323 -1.368 468 2HD LYS 91 2HD LYS 91 -4.351 -9.543 -2.541 469 1HE LYS 91 1HE LYS 91 -3.202 -7.342 -3.591 470 2HE LYS 91 2HE LYS 91 -1.899 -7.820 -2.462 471 1HZ LYS 91 1HZ LYS 91 -1.650 -9.838 -3.689 472 2HZ LYS 91 2HZ LYS 91 -3.007 -9.579 -4.592 473 3HZ LYS 91 3HZ LYS 91 -1.663 -8.655 -4.795 474 H LYS 92 H LYS 92 -3.432 -9.488 2.381 475 HA LYS 92 HA LYS 92 -1.394 -10.765 1.030 476 1HB LYS 92 1HB LYS 92 -0.477 -10.978 3.114 477 2HB LYS 92 2HB LYS 92 -1.263 -9.416 2.786 478 1HG LYS 92 1HG LYS 92 -2.100 -9.817 5.013 479 2HG LYS 92 2HG LYS 92 -3.353 -10.544 4.084 480 1HD LYS 92 1HD LYS 92 -1.676 -12.725 4.484 481 2HD LYS 92 2HD LYS 92 -1.364 -11.728 5.909 482 1HE LYS 92 1HE LYS 92 -3.199 -13.109 6.540 483 2HE LYS 92 2HE LYS 92 -3.892 -11.517 6.208 484 1HZ LYS 92 1HZ LYS 92 -3.999 -13.928 4.531 485 2HZ LYS 92 2HZ LYS 92 -5.270 -12.994 5.045 486 3HZ LYS 92 3HZ LYS 92 -4.218 -12.522 3.848 487 HHA HEC 93 HHA HEC 93 8.476 0.215 0.398 488 HHB HEC 93 HHB HEC 93 2.086 0.314 0.571 489 HHC HEC 93 HHC HEC 93 2.186 4.444 -4.379 490 HHD HEC 93 HHD HEC 93 8.517 3.534 -4.996 491 1HMA HEC 93 1HMA HEC 93 3.397 -1.811 2.009 492 2HMA HEC 93 2HMA HEC 93 4.445 -1.222 3.314 493 3HMA HEC 93 3HMA HEC 93 3.076 -0.240 2.795 494 1HAA HEC 93 1HAA HEC 93 6.651 -1.407 3.078 495 2HAA HEC 93 2HAA HEC 93 7.817 -0.240 2.555 496 1HBA HEC 93 1HBA HEC 93 7.998 -1.782 0.463 497 2HBA HEC 93 2HBA HEC 93 7.097 -2.960 1.409 498 1HMB HEC 93 1HMB HEC 93 0.113 -0.005 -0.991 499 2HMB HEC 93 2HMB HEC 93 -0.159 1.302 0.177 500 3HMB HEC 93 3HMB HEC 93 -0.976 1.312 -1.400 501 HAB HEC 93 HAB HEC 93 0.231 4.342 -3.608 502 1HBB HEC 93 1HBB HEC 93 -1.766 4.733 -2.306 503 2HBB HEC 93 2HBB HEC 93 -1.339 3.461 -1.159 504 3HBB HEC 93 3HBB HEC 93 -0.324 4.901 -1.280 505 1HMC HEC 93 1HMC HEC 93 4.188 5.734 -7.315 506 2HMC HEC 93 2HMC HEC 93 2.862 4.795 -6.663 507 3HMC HEC 93 3HMC HEC 93 3.330 6.315 -5.873 508 HAC HEC 93 HAC HEC 93 7.898 4.655 -6.643 509 1HBC HEC 93 1HBC HEC 93 5.944 6.937 -7.043 510 2HBC HEC 93 2HBC HEC 93 7.436 6.925 -6.098 511 3HBC HEC 93 3HBC HEC 93 7.506 6.727 -7.853 512 1HMD HEC 93 1HMD HEC 93 10.126 2.020 -5.137 513 2HMD HEC 93 2HMD HEC 93 11.210 2.790 -3.954 514 3HMD HEC 93 3HMD HEC 93 11.146 1.019 -4.121 515 1HAD HEC 93 1HAD HEC 93 10.779 -0.446 -1.310 516 2HAD HEC 93 2HAD HEC 93 10.377 0.600 -0.070 517 1HBD HEC 93 1HBD HEC 93 12.534 1.009 -0.155 518 2HBD HEC 93 2HBD HEC 93 11.702 2.445 -0.742 Start of MODEL 27 1 1H VAL 22 1H VAL 22 -13.074 3.682 1.427 2 2H VAL 22 2H VAL 22 -11.757 4.458 2.040 3 3H VAL 22 3H VAL 22 -13.233 5.285 1.926 4 HA VAL 22 HA VAL 22 -13.232 5.149 -0.341 5 HB VAL 22 HB VAL 22 -10.295 5.528 0.371 6 1HG1 VAL 22 1HG1 VAL 22 -11.967 6.461 -2.009 7 2HG1 VAL 22 2HG1 VAL 22 -10.329 7.043 -1.659 8 3HG1 VAL 22 3HG1 VAL 22 -10.588 5.343 -2.050 9 1HG2 VAL 22 1HG2 VAL 22 -11.791 7.056 1.707 10 2HG2 VAL 22 2HG2 VAL 22 -10.750 7.916 0.570 11 3HG2 VAL 22 3HG2 VAL 22 -12.465 7.667 0.182 12 H ASP 23 H ASP 23 -12.748 3.971 -1.969 13 HA ASP 23 HA ASP 23 -12.569 1.221 -1.716 14 1HB ASP 23 1HB ASP 23 -12.184 2.919 -4.208 15 2HB ASP 23 2HB ASP 23 -12.459 1.162 -4.230 16 H ALA 24 H ALA 24 -10.814 0.551 -0.662 17 HA ALA 24 HA ALA 24 -8.254 1.367 -0.727 18 1HB ALA 24 1HB ALA 24 -7.636 -0.789 0.181 19 2HB ALA 24 2HB ALA 24 -9.170 -0.260 0.898 20 3HB ALA 24 3HB ALA 24 -9.180 -1.502 -0.360 21 H GLU 25 H GLU 25 -9.507 -1.419 -2.641 22 HA GLU 25 HA GLU 25 -7.007 -1.806 -3.929 23 1HB GLU 25 1HB GLU 25 -7.897 -3.543 -5.040 24 2HB GLU 25 2HB GLU 25 -9.107 -3.416 -3.754 25 1HG GLU 25 1HG GLU 25 -10.548 -2.132 -5.249 26 2HG GLU 25 2HG GLU 25 -9.333 -2.311 -6.582 27 H ALA 26 H ALA 26 -9.885 0.154 -4.858 28 HA ALA 26 HA ALA 26 -9.012 0.769 -7.466 29 1HB ALA 26 1HB ALA 26 -10.513 2.650 -7.405 30 2HB ALA 26 2HB ALA 26 -11.284 1.290 -6.558 31 3HB ALA 26 3HB ALA 26 -10.551 2.633 -5.639 32 H VAL 27 H VAL 27 -8.440 2.560 -4.409 33 HA VAL 27 HA VAL 27 -6.505 4.524 -5.339 34 HB VAL 27 HB VAL 27 -6.707 2.944 -2.726 35 1HG1 VAL 27 1HG1 VAL 27 -5.264 4.616 -1.725 36 2HG1 VAL 27 2HG1 VAL 27 -4.391 3.858 -3.054 37 3HG1 VAL 27 3HG1 VAL 27 -5.102 5.472 -3.263 38 1HG2 VAL 27 1HG2 VAL 27 -8.661 4.428 -3.212 39 2HG2 VAL 27 2HG2 VAL 27 -7.715 4.973 -1.819 40 3HG2 VAL 27 3HG2 VAL 27 -7.548 5.796 -3.385 41 H VAL 28 H VAL 28 -5.818 1.049 -4.148 42 HA VAL 28 HA VAL 28 -3.166 1.824 -4.671 43 HB VAL 28 HB VAL 28 -4.557 -0.697 -3.902 44 1HG1 VAL 28 1HG1 VAL 28 -1.954 -1.027 -2.917 45 2HG1 VAL 28 2HG1 VAL 28 -2.607 -1.815 -4.367 46 3HG1 VAL 28 3HG1 VAL 28 -1.699 -0.342 -4.510 47 1HG2 VAL 28 1HG2 VAL 28 -4.100 0.021 -1.646 48 2HG2 VAL 28 2HG2 VAL 28 -2.822 1.107 -2.169 49 3HG2 VAL 28 3HG2 VAL 28 -4.503 1.496 -2.451 50 H GLN 29 H GLN 29 -5.464 0.158 -6.542 51 HA GLN 29 HA GLN 29 -3.959 -0.743 -8.796 52 1HB GLN 29 1HB GLN 29 -6.908 -0.168 -8.271 53 2HB GLN 29 2HB GLN 29 -6.356 -0.778 -9.797 54 1HG GLN 29 1HG GLN 29 -5.931 -2.229 -7.171 55 2HG GLN 29 2HG GLN 29 -7.155 -2.585 -8.392 56 1HE2 GLN 29 1HE2 GLN 29 -3.995 -3.310 -7.355 57 2HE2 GLN 29 2HE2 GLN 29 -3.387 -4.037 -8.830 58 H GLN 30 H GLN 30 -4.516 2.441 -7.768 59 HA GLN 30 HA GLN 30 -3.578 3.296 -10.464 60 1HB GLN 30 1HB GLN 30 -6.153 3.829 -9.393 61 2HB GLN 30 2HB GLN 30 -5.269 5.337 -9.201 62 1HG GLN 30 1HG GLN 30 -4.642 5.265 -11.621 63 2HG GLN 30 2HG GLN 30 -5.403 3.673 -11.775 64 1HE2 GLN 30 1HE2 GLN 30 -6.161 7.113 -11.020 65 2HE2 GLN 30 2HE2 GLN 30 -7.805 7.005 -11.634 66 H LYS 31 H LYS 31 -3.196 3.656 -7.046 67 HA LYS 31 HA LYS 31 -1.518 6.082 -7.301 68 1HB LYS 31 1HB LYS 31 -3.116 4.712 -5.125 69 2HB LYS 31 2HB LYS 31 -1.873 5.782 -4.667 70 1HG LYS 31 1HG LYS 31 -3.790 6.825 -6.740 71 2HG LYS 31 2HG LYS 31 -4.369 6.610 -5.085 72 1HD LYS 31 1HD LYS 31 -2.440 7.898 -4.218 73 2HD LYS 31 2HD LYS 31 -1.935 8.271 -5.880 74 1HE LYS 31 1HE LYS 31 -3.984 9.564 -6.236 75 2HE LYS 31 2HE LYS 31 -4.706 8.916 -4.753 76 1HZ LYS 31 1HZ LYS 31 -2.439 10.772 -4.851 77 2HZ LYS 31 2HZ LYS 31 -3.966 11.061 -4.281 78 3HZ LYS 31 3HZ LYS 31 -2.965 10.023 -3.494 79 H CYS 32 H CYS 32 -1.311 2.589 -6.686 80 HA CYS 32 HA CYS 32 1.509 2.966 -5.763 81 1HB CYS 32 1HB CYS 32 -0.061 0.515 -5.327 82 2HB CYS 32 2HB CYS 32 1.270 1.100 -4.372 83 H ILE 33 H ILE 33 -0.629 0.933 -7.830 84 HA ILE 33 HA ILE 33 1.280 -0.803 -8.803 85 HB ILE 33 HB ILE 33 0.035 -0.967 -10.867 86 1HG1 ILE 33 1HG1 ILE 33 -1.825 1.246 -9.944 87 2HG1 ILE 33 2HG1 ILE 33 -0.533 1.514 -11.116 88 1HG2 ILE 33 1HG2 ILE 33 -2.065 -1.771 -9.896 89 2HG2 ILE 33 2HG2 ILE 33 -0.717 -2.127 -8.814 90 3HG2 ILE 33 3HG2 ILE 33 -1.787 -0.790 -8.454 91 1HD1 ILE 33 1HD1 ILE 33 -2.797 -0.447 -11.545 92 2HD1 ILE 33 2HD1 ILE 33 -2.567 1.131 -12.319 93 3HD1 ILE 33 3HD1 ILE 33 -1.418 -0.180 -12.629 94 H SER 34 H SER 34 0.899 2.552 -9.580 95 HA SER 34 HA SER 34 2.390 3.136 -11.749 96 1HB SER 34 1HB SER 34 1.287 4.708 -10.104 97 2HB SER 34 2HB SER 34 2.717 4.537 -9.061 98 HG SER 34 HG SER 34 2.761 6.366 -10.515 99 H CYS 35 H CYS 35 3.737 2.122 -8.569 100 HA CYS 35 HA CYS 35 6.381 1.732 -9.915 101 1HB CYS 35 1HB CYS 35 6.178 2.134 -6.928 102 2HB CYS 35 2HB CYS 35 7.555 2.255 -7.999 103 H HIS 36 H HIS 36 4.050 0.406 -7.500 104 HA HIS 36 HA HIS 36 5.642 -1.973 -7.119 105 1HB HIS 36 1HB HIS 36 2.858 -1.168 -6.268 106 2HB HIS 36 2HB HIS 36 3.580 -2.732 -5.866 107 HD1 HIS 36 1HD HIS 36 5.834 -2.681 -4.287 108 HD2 HIS 36 2HD HIS 36 3.661 0.916 -4.754 109 HE1 HIS 36 1HE HIS 36 6.580 -1.107 -2.430 110 H GLY 37 H GLY 37 3.472 -1.184 -9.688 111 1HA GLY 37 1HA GLY 37 3.143 -2.460 -11.573 112 2HA GLY 37 2HA GLY 37 3.734 -3.919 -10.761 113 H GLY 38 H GLY 38 1.348 -3.699 -12.371 114 1HA GLY 38 1HA GLY 38 -1.092 -3.163 -11.461 115 2HA GLY 38 2HA GLY 38 -0.753 -4.631 -12.370 116 H ASP 39 H ASP 39 0.065 -6.533 -11.015 117 HA ASP 39 HA ASP 39 -1.836 -7.216 -9.076 118 1HB ASP 39 1HB ASP 39 0.821 -8.518 -9.782 119 2HB ASP 39 2HB ASP 39 -0.563 -9.318 -9.011 120 H LEU 40 H LEU 40 0.872 -5.277 -8.595 121 HA LEU 40 HA LEU 40 2.010 -4.473 -6.874 122 1HB LEU 40 1HB LEU 40 0.040 -5.914 -5.076 123 2HB LEU 40 2HB LEU 40 1.106 -4.596 -4.623 124 HG LEU 40 HG LEU 40 -0.619 -4.010 -7.018 125 1HD1 LEU 40 1HD1 LEU 40 -1.884 -4.274 -4.282 126 2HD1 LEU 40 2HD1 LEU 40 -2.615 -3.594 -5.760 127 3HD1 LEU 40 3HD1 LEU 40 -2.200 -5.308 -5.698 128 1HD2 LEU 40 1HD2 LEU 40 -0.735 -1.853 -6.098 129 2HD2 LEU 40 2HD2 LEU 40 -0.154 -2.410 -4.514 130 3HD2 LEU 40 3HD2 LEU 40 0.939 -2.397 -5.913 131 H THR 41 H THR 41 2.596 -7.022 -8.162 132 HA THR 41 HA THR 41 3.988 -8.762 -6.356 133 HB THR 41 HB THR 41 4.731 -9.577 -8.751 134 HG1 THR 41 1HG THR 41 4.265 -7.756 -9.939 135 1HG2 THR 41 1HG2 THR 41 2.447 -10.511 -9.191 136 2HG2 THR 41 2HG2 THR 41 2.987 -10.735 -7.514 137 3HG2 THR 41 3HG2 THR 41 1.801 -9.476 -7.899 138 H GLY 42 H GLY 42 4.772 -5.631 -7.620 139 1HA GLY 42 1HA GLY 42 6.594 -4.541 -6.804 140 2HA GLY 42 2HA GLY 42 7.493 -6.050 -6.573 141 H ALA 43 H ALA 43 6.371 -3.743 -9.017 142 HA ALA 43 HA ALA 43 8.203 -4.809 -11.066 143 1HB ALA 43 1HB ALA 43 6.324 -2.417 -11.059 144 2HB ALA 43 2HB ALA 43 7.332 -2.925 -12.432 145 3HB ALA 43 3HB ALA 43 6.073 -4.004 -11.802 146 H SER 44 H SER 44 7.863 -1.412 -10.014 147 HA SER 44 HA SER 44 10.798 -1.025 -10.231 148 1HB SER 44 1HB SER 44 9.167 0.463 -11.493 149 2HB SER 44 2HB SER 44 8.613 1.058 -9.913 150 HG SER 44 HG SER 44 10.889 1.530 -9.507 151 H ALA 45 H ALA 45 8.805 -2.033 -7.863 152 HA ALA 45 HA ALA 45 10.253 -0.849 -5.602 153 1HB ALA 45 1HB ALA 45 8.080 -0.281 -4.521 154 2HB ALA 45 2HB ALA 45 8.295 0.657 -6.002 155 3HB ALA 45 3HB ALA 45 7.222 -0.745 -5.999 156 HA PRO 46 HA PRO 46 9.879 -5.118 -4.588 157 1HB PRO 46 1HB PRO 46 9.341 -5.276 -1.873 158 2HB PRO 46 2HB PRO 46 10.916 -4.778 -2.558 159 1HG PRO 46 1HG PRO 46 8.640 -2.993 -1.673 160 2HG PRO 46 2HG PRO 46 10.362 -2.889 -1.189 161 1HD PRO 46 1HD PRO 46 9.390 -1.334 -3.165 162 2HD PRO 46 2HD PRO 46 10.978 -2.115 -3.394 163 H ALA 47 H ALA 47 8.454 -6.871 -3.783 164 HA ALA 47 HA ALA 47 5.755 -6.551 -4.728 165 1HB ALA 47 1HB ALA 47 7.149 -8.678 -4.850 166 2HB ALA 47 2HB ALA 47 6.948 -8.844 -3.102 167 3HB ALA 47 3HB ALA 47 5.526 -8.887 -4.163 168 H ILE 48 H ILE 48 4.169 -5.586 -3.575 169 HA ILE 48 HA ILE 48 4.293 -5.830 -0.596 170 HB ILE 48 HB ILE 48 3.229 -3.754 -0.260 171 1HG1 ILE 48 1HG1 ILE 48 3.261 -2.064 -2.209 172 2HG1 ILE 48 2HG1 ILE 48 3.166 -3.466 -3.277 173 1HG2 ILE 48 1HG2 ILE 48 5.097 -2.325 -0.836 174 2HG2 ILE 48 2HG2 ILE 48 5.671 -3.918 -0.324 175 3HG2 ILE 48 3HG2 ILE 48 5.654 -3.492 -2.046 176 1HD1 ILE 48 1HD1 ILE 48 1.236 -2.842 -0.969 177 2HD1 ILE 48 2HD1 ILE 48 0.970 -2.337 -2.635 178 3HD1 ILE 48 3HD1 ILE 48 0.989 -4.067 -2.237 179 H ASP 49 H ASP 49 2.670 -6.980 -3.286 180 HA ASP 49 HA ASP 49 0.059 -7.334 -2.538 181 1HB ASP 49 1HB ASP 49 0.252 -9.603 -3.488 182 2HB ASP 49 2HB ASP 49 1.109 -8.421 -4.512 183 H LYS 50 H LYS 50 2.846 -8.988 -1.182 184 HA LYS 50 HA LYS 50 1.233 -10.356 0.910 185 1HB LYS 50 1HB LYS 50 3.993 -10.749 -0.250 186 2HB LYS 50 2HB LYS 50 3.487 -11.584 1.231 187 1HG LYS 50 1HG LYS 50 1.895 -12.883 0.183 188 2HG LYS 50 2HG LYS 50 1.524 -11.650 -1.025 189 1HD LYS 50 1HD LYS 50 3.611 -12.033 -2.202 190 2HD LYS 50 2HD LYS 50 4.067 -13.323 -1.087 191 1HE LYS 50 1HE LYS 50 1.311 -13.526 -2.314 192 2HE LYS 50 2HE LYS 50 2.636 -13.623 -3.469 193 1HZ LYS 50 1HZ LYS 50 1.961 -15.769 -2.599 194 2HZ LYS 50 2HZ LYS 50 3.535 -15.445 -2.247 195 3HZ LYS 50 3HZ LYS 50 2.378 -15.318 -1.073 196 H ALA 51 H ALA 51 2.446 -7.368 0.776 197 HA ALA 51 HA ALA 51 3.977 -7.073 3.135 198 1HB ALA 51 1HB ALA 51 3.210 -4.779 3.116 199 2HB ALA 51 2HB ALA 51 3.585 -5.326 1.464 200 3HB ALA 51 3HB ALA 51 1.895 -5.186 1.997 201 H GLY 52 H GLY 52 0.401 -7.620 2.679 202 1HA GLY 52 1HA GLY 52 -0.251 -7.169 5.405 203 2HA GLY 52 2HA GLY 52 -1.141 -8.173 4.237 204 H ALA 53 H ALA 53 1.323 -9.946 3.858 205 HA ALA 53 HA ALA 53 0.957 -11.696 6.212 206 1HB ALA 53 1HB ALA 53 2.524 -13.186 5.061 207 2HB ALA 53 2HB ALA 53 1.192 -12.761 3.987 208 3HB ALA 53 3HB ALA 53 2.776 -11.995 3.780 209 H ASN 54 H ASN 54 3.494 -9.754 4.646 210 HA ASN 54 HA ASN 54 5.556 -10.559 6.478 211 1HB ASN 54 1HB ASN 54 5.444 -8.160 4.603 212 2HB ASN 54 2HB ASN 54 6.899 -8.798 5.375 213 1HD2 ASN 54 1HD2 ASN 54 6.498 -8.491 2.509 214 2HD2 ASN 54 2HD2 ASN 54 6.578 -10.108 1.836 215 H TYR 55 H TYR 55 3.469 -7.720 6.290 216 HA TYR 55 HA TYR 55 4.440 -6.605 8.881 217 1HB TYR 55 1HB TYR 55 3.623 -5.051 6.403 218 2HB TYR 55 2HB TYR 55 4.204 -4.390 7.929 219 HD1 TYR 55 1HD TYR 55 5.234 -3.880 5.038 220 HD2 TYR 55 2HD TYR 55 6.607 -6.306 8.334 221 HE1 TYR 55 1HE TYR 55 7.579 -3.710 4.219 222 HE2 TYR 55 2HE TYR 55 8.901 -6.189 7.472 223 HH TYR 55 HH TYR 55 10.308 -5.283 5.886 224 H SER 56 H SER 56 2.624 -4.813 9.422 225 HA SER 56 HA SER 56 -0.039 -6.155 9.122 226 1HB SER 56 1HB SER 56 1.086 -4.712 11.544 227 2HB SER 56 2HB SER 56 -0.509 -5.488 11.408 228 HG SER 56 HG SER 56 1.028 -6.825 12.425 229 H GLU 57 H GLU 57 -1.842 -4.517 9.774 230 HA GLU 57 HA GLU 57 -1.851 -2.687 7.646 231 1HB GLU 57 1HB GLU 57 -4.036 -2.080 8.331 232 2HB GLU 57 2HB GLU 57 -3.849 -3.798 8.553 233 1HG GLU 57 1HG GLU 57 -4.760 -3.483 10.566 234 2HG GLU 57 2HG GLU 57 -3.219 -2.813 11.096 235 H GLU 58 H GLU 58 -1.180 -2.170 11.125 236 HA GLU 58 HA GLU 58 -0.986 0.606 11.131 237 1HB GLU 58 1HB GLU 58 0.583 0.286 13.030 238 2HB GLU 58 2HB GLU 58 -0.973 -0.525 13.190 239 1HG GLU 58 1HG GLU 58 1.452 -2.120 12.284 240 2HG GLU 58 2HG GLU 58 1.220 -1.691 13.961 241 H GLU 59 H GLU 59 1.624 -1.722 10.394 242 HA GLU 59 HA GLU 59 3.712 0.168 9.963 243 1HB GLU 59 1HB GLU 59 3.194 -2.623 8.856 244 2HB GLU 59 2HB GLU 59 4.730 -1.784 8.654 245 1HG GLU 59 1HG GLU 59 3.550 -2.417 11.396 246 2HG GLU 59 2HG GLU 59 4.688 -3.454 10.530 247 H ILE 60 H ILE 60 1.394 -1.408 7.779 248 HA ILE 60 HA ILE 60 2.489 -0.357 5.339 249 HB ILE 60 HB ILE 60 -0.243 -1.482 6.039 250 1HG1 ILE 60 1HG1 ILE 60 2.063 -2.758 4.505 251 2HG1 ILE 60 2HG1 ILE 60 1.840 -2.953 6.243 252 1HG2 ILE 60 1HG2 ILE 60 -0.597 -0.159 4.084 253 2HG2 ILE 60 2HG2 ILE 60 0.914 -0.713 3.333 254 3HG2 ILE 60 3HG2 ILE 60 -0.458 -1.820 3.522 255 1HD1 ILE 60 1HD1 ILE 60 0.881 -4.865 5.332 256 2HD1 ILE 60 2HD1 ILE 60 -0.501 -3.846 5.757 257 3HD1 ILE 60 3HD1 ILE 60 0.031 -3.975 4.062 258 H LEU 61 H LEU 61 -0.312 0.599 7.330 259 HA LEU 61 HA LEU 61 -1.221 2.834 5.969 260 1HB LEU 61 1HB LEU 61 -2.228 1.767 7.980 261 2HB LEU 61 2HB LEU 61 -0.974 2.401 8.998 262 HG LEU 61 HG LEU 61 -1.702 4.651 8.746 263 1HD1 LEU 61 1HD1 LEU 61 -3.725 5.212 7.305 264 2HD1 LEU 61 2HD1 LEU 61 -2.259 4.813 6.403 265 3HD1 LEU 61 3HD1 LEU 61 -3.548 3.602 6.578 266 1HD2 LEU 61 1HD2 LEU 61 -4.148 2.851 9.011 267 2HD2 LEU 61 2HD2 LEU 61 -3.000 3.244 10.309 268 3HD2 LEU 61 3HD2 LEU 61 -4.008 4.521 9.599 269 H ASP 62 H ASP 62 1.203 2.662 8.632 270 HA ASP 62 HA ASP 62 1.680 5.462 8.564 271 1HB ASP 62 1HB ASP 62 2.217 3.875 10.466 272 2HB ASP 62 2HB ASP 62 3.665 3.395 9.565 273 H ILE 63 H ILE 63 3.259 2.730 6.880 274 HA ILE 63 HA ILE 63 5.353 4.329 5.703 275 HB ILE 63 HB ILE 63 4.193 1.600 5.261 276 1HG1 ILE 63 1HG1 ILE 63 7.068 2.612 5.249 277 2HG1 ILE 63 2HG1 ILE 63 6.167 2.272 6.736 278 1HG2 ILE 63 1HG2 ILE 63 5.766 2.991 3.060 279 2HG2 ILE 63 2HG2 ILE 63 5.530 1.247 3.193 280 3HG2 ILE 63 3HG2 ILE 63 4.134 2.275 2.955 281 1HD1 ILE 63 1HD1 ILE 63 7.569 0.377 6.187 282 2HD1 ILE 63 2HD1 ILE 63 5.860 -0.080 6.044 283 3HD1 ILE 63 3HD1 ILE 63 6.840 0.217 4.588 284 H ILE 64 H ILE 64 2.011 3.636 4.568 285 HA ILE 64 HA ILE 64 2.339 4.972 2.043 286 HB ILE 64 HB ILE 64 -0.098 4.580 3.809 287 1HG1 ILE 64 1HG1 ILE 64 0.661 3.148 1.231 288 2HG1 ILE 64 2HG1 ILE 64 1.187 2.559 2.804 289 1HG2 ILE 64 1HG2 ILE 64 -1.394 5.035 1.685 290 2HG2 ILE 64 2HG2 ILE 64 -0.594 6.447 2.361 291 3HG2 ILE 64 3HG2 ILE 64 0.118 5.627 0.960 292 1HD1 ILE 64 1HD1 ILE 64 -1.263 2.608 3.552 293 2HD1 ILE 64 2HD1 ILE 64 -1.659 2.834 1.832 294 3HD1 ILE 64 3HD1 ILE 64 -0.798 1.380 2.376 295 H LEU 65 H LEU 65 1.180 6.124 5.220 296 HA LEU 65 HA LEU 65 0.713 8.811 4.383 297 1HB LEU 65 1HB LEU 65 1.306 7.626 7.106 298 2HB LEU 65 2HB LEU 65 0.705 9.265 6.846 299 HG LEU 65 HG LEU 65 -0.913 6.856 5.841 300 1HD1 LEU 65 1HD1 LEU 65 -0.981 8.213 8.584 301 2HD1 LEU 65 2HD1 LEU 65 -2.145 7.011 7.991 302 3HD1 LEU 65 3HD1 LEU 65 -0.454 6.551 8.269 303 1HD2 LEU 65 1HD2 LEU 65 -1.697 9.667 6.651 304 2HD2 LEU 65 2HD2 LEU 65 -1.512 9.045 4.984 305 3HD2 LEU 65 3HD2 LEU 65 -2.765 8.383 6.050 306 H ASN 66 H ASN 66 3.599 7.230 5.707 307 HA ASN 66 HA ASN 66 5.071 9.750 6.080 308 1HB ASN 66 1HB ASN 66 5.671 6.824 6.681 309 2HB ASN 66 2HB ASN 66 6.895 8.045 6.794 310 1HD2 ASN 66 1HD2 ASN 66 3.661 7.254 7.943 311 2HD2 ASN 66 2HD2 ASN 66 3.869 7.750 9.577 312 H GLY 67 H GLY 67 5.506 6.721 4.212 313 1HA GLY 67 1HA GLY 67 6.552 6.661 2.035 314 2HA GLY 67 2HA GLY 67 7.580 8.024 2.489 315 H GLN 68 H GLN 68 7.375 4.639 2.368 316 HA GLN 68 HA GLN 68 9.559 3.888 4.098 317 1HB GLN 68 1HB GLN 68 8.280 2.079 2.902 318 2HB GLN 68 2HB GLN 68 8.527 2.940 1.396 319 1HG GLN 68 1HG GLN 68 9.755 0.937 1.643 320 2HG GLN 68 2HG GLN 68 10.838 2.304 1.307 321 1HE2 GLN 68 1HE2 GLN 68 10.879 -0.596 2.666 322 2HE2 GLN 68 2HE2 GLN 68 11.891 -0.257 4.057 323 H GLY 69 H GLY 69 11.866 3.896 3.465 324 1HA GLY 69 1HA GLY 69 12.982 6.228 2.900 325 2HA GLY 69 2HA GLY 69 13.776 4.728 2.413 326 H GLY 70 H GLY 70 12.644 3.889 0.140 327 1HA GLY 70 1HA GLY 70 13.416 5.981 -1.777 328 2HA GLY 70 2HA GLY 70 13.104 4.279 -2.103 329 H MET 71 H MET 71 10.578 5.759 -0.295 330 HA MET 71 HA MET 71 8.832 5.913 -2.705 331 1HB MET 71 1HB MET 71 8.573 3.933 -1.256 332 2HB MET 71 2HB MET 71 8.326 4.971 0.139 333 1HG MET 71 1HG MET 71 6.272 5.791 -0.647 334 2HG MET 71 2HG MET 71 6.414 4.966 -2.202 335 1HE MET 71 1HE MET 71 3.800 4.503 -0.689 336 2HE MET 71 2HE MET 71 3.774 3.335 0.648 337 3HE MET 71 3HE MET 71 4.530 4.924 0.880 338 HA PRO 72 HA PRO 72 8.718 10.092 -1.332 339 1HB PRO 72 1HB PRO 72 6.447 11.108 -2.553 340 2HB PRO 72 2HB PRO 72 7.984 10.749 -3.390 341 1HG PRO 72 1HG PRO 72 5.534 9.001 -3.192 342 2HG PRO 72 2HG PRO 72 6.486 9.379 -4.653 343 1HD PRO 72 1HD PRO 72 6.890 7.057 -3.324 344 2HD PRO 72 2HD PRO 72 8.294 7.981 -3.940 345 H GLY 73 H GLY 73 5.681 8.305 -0.889 346 1HA GLY 73 1HA GLY 73 4.474 8.061 1.076 347 2HA GLY 73 2HA GLY 73 5.534 9.235 1.874 348 H GLY 74 H GLY 74 2.808 9.215 2.249 349 1HA GLY 74 1HA GLY 74 1.023 10.679 2.369 350 2HA GLY 74 2HA GLY 74 2.046 11.952 1.678 351 H ILE 75 H ILE 75 1.872 8.990 -0.083 352 HA ILE 75 HA ILE 75 0.834 10.114 -2.477 353 HB ILE 75 HB ILE 75 1.178 7.286 -1.419 354 1HG1 ILE 75 1HG1 ILE 75 2.770 8.448 -3.699 355 2HG1 ILE 75 2HG1 ILE 75 3.158 9.020 -2.073 356 1HG2 ILE 75 1HG2 ILE 75 0.989 6.549 -3.834 357 2HG2 ILE 75 2HG2 ILE 75 -0.523 7.063 -3.091 358 3HG2 ILE 75 3HG2 ILE 75 0.333 8.153 -4.211 359 1HD1 ILE 75 1HD1 ILE 75 4.495 6.997 -2.789 360 2HD1 ILE 75 2HD1 ILE 75 3.602 6.812 -1.264 361 3HD1 ILE 75 3HD1 ILE 75 2.986 6.076 -2.755 362 H ALA 76 H ALA 76 -0.634 8.436 0.292 363 HA ALA 76 HA ALA 76 -3.270 9.264 -0.619 364 1HB ALA 76 1HB ALA 76 -3.322 6.950 -1.312 365 2HB ALA 76 2HB ALA 76 -2.427 6.424 0.128 366 3HB ALA 76 3HB ALA 76 -4.100 6.959 0.289 367 H LYS 77 H LYS 77 -4.633 9.753 1.212 368 HA LYS 77 HA LYS 77 -3.355 9.552 3.904 369 1HB LYS 77 1HB LYS 77 -4.002 12.046 2.352 370 2HB LYS 77 2HB LYS 77 -4.159 12.081 4.094 371 1HG LYS 77 1HG LYS 77 -1.562 11.068 2.894 372 2HG LYS 77 2HG LYS 77 -1.916 12.777 2.829 373 1HD LYS 77 1HD LYS 77 -2.448 11.948 5.537 374 2HD LYS 77 2HD LYS 77 -0.911 11.213 5.043 375 1HE LYS 77 1HE LYS 77 -0.006 13.371 4.364 376 2HE LYS 77 2HE LYS 77 -1.541 14.177 4.743 377 1HZ LYS 77 1HZ LYS 77 -1.217 13.601 7.041 378 2HZ LYS 77 2HZ LYS 77 0.191 12.814 6.703 379 3HZ LYS 77 3HZ LYS 77 0.081 14.436 6.480 380 H GLY 78 H GLY 78 -4.718 9.762 5.681 381 1HA GLY 78 1HA GLY 78 -6.648 9.474 6.859 382 2HA GLY 78 2HA GLY 78 -7.477 10.387 5.585 383 H ALA 79 H ALA 79 -9.291 9.079 5.509 384 HA ALA 79 HA ALA 79 -9.730 6.447 5.575 385 1HB ALA 79 1HB ALA 79 -11.028 8.365 3.618 386 2HB ALA 79 2HB ALA 79 -11.684 6.797 4.151 387 3HB ALA 79 3HB ALA 79 -11.476 8.111 5.320 388 H GLU 80 H GLU 80 -8.247 8.101 2.851 389 HA GLU 80 HA GLU 80 -8.262 6.078 0.853 390 1HB GLU 80 1HB GLU 80 -7.602 8.643 0.892 391 2HB GLU 80 2HB GLU 80 -6.023 8.028 1.353 392 1HG GLU 80 1HG GLU 80 -6.045 6.711 -0.830 393 2HG GLU 80 2HG GLU 80 -7.543 7.560 -1.234 394 H ALA 81 H ALA 81 -5.635 6.940 3.230 395 HA ALA 81 HA ALA 81 -4.065 4.633 2.508 396 1HB ALA 81 1HB ALA 81 -2.582 5.423 4.241 397 2HB ALA 81 2HB ALA 81 -3.138 6.810 3.296 398 3HB ALA 81 3HB ALA 81 -3.839 6.502 4.899 399 H GLU 82 H GLU 82 -6.334 5.504 5.133 400 HA GLU 82 HA GLU 82 -5.900 3.298 6.871 401 1HB GLU 82 1HB GLU 82 -8.447 4.811 6.204 402 2HB GLU 82 2HB GLU 82 -8.265 3.731 7.579 403 1HG GLU 82 1HG GLU 82 -6.715 5.161 8.672 404 2HG GLU 82 2HG GLU 82 -6.427 6.135 7.230 405 H ALA 83 H ALA 83 -8.216 3.682 4.118 406 HA ALA 83 HA ALA 83 -9.256 1.054 4.251 407 1HB ALA 83 1HB ALA 83 -10.014 1.422 1.995 408 2HB ALA 83 2HB ALA 83 -10.271 2.882 2.951 409 3HB ALA 83 3HB ALA 83 -8.922 2.813 1.786 410 H VAL 84 H VAL 84 -6.424 2.367 2.393 411 HA VAL 84 HA VAL 84 -5.675 -0.069 1.193 412 HB VAL 84 HB VAL 84 -3.704 1.961 2.317 413 1HG1 VAL 84 1HG1 VAL 84 -2.568 -0.117 1.944 414 2HG1 VAL 84 2HG1 VAL 84 -3.462 -0.426 0.450 415 3HG1 VAL 84 3HG1 VAL 84 -2.263 0.866 0.516 416 1HG2 VAL 84 1HG2 VAL 84 -3.525 2.547 -0.177 417 2HG2 VAL 84 2HG2 VAL 84 -5.132 1.773 -0.336 418 3HG2 VAL 84 3HG2 VAL 84 -4.909 3.184 0.707 419 H ALA 85 H ALA 85 -4.604 1.168 4.412 420 HA ALA 85 HA ALA 85 -2.909 -0.839 5.174 421 1HB ALA 85 1HB ALA 85 -3.367 -0.156 7.435 422 2HB ALA 85 2HB ALA 85 -3.605 1.264 6.396 423 3HB ALA 85 3HB ALA 85 -4.998 0.390 7.043 424 H ALA 86 H ALA 86 -6.419 -0.864 5.911 425 HA ALA 86 HA ALA 86 -6.491 -3.484 7.007 426 1HB ALA 86 1HB ALA 86 -8.695 -1.873 5.647 427 2HB ALA 86 2HB ALA 86 -8.938 -3.310 6.664 428 3HB ALA 86 3HB ALA 86 -8.259 -1.829 7.369 429 H TRP 87 H TRP 87 -7.360 -2.359 3.694 430 HA TRP 87 HA TRP 87 -8.143 -4.882 2.656 431 1HB TRP 87 1HB TRP 87 -8.712 -2.817 1.586 432 2HB TRP 87 2HB TRP 87 -6.992 -2.377 1.484 433 HD1 TRP 87 HD TRP 87 -9.543 -4.554 -0.410 434 HE1 TRP 87 1HE TRP 87 -8.487 -5.339 -2.577 435 HE3 TRP 87 3HE TRP 87 -4.997 -2.245 0.045 436 HZ2 TRP 87 2HZ TRP 87 -4.955 -4.963 -2.872 437 HZ3 TRP 87 3HZ TRP 87 -3.696 -1.949 -2.049 438 HH2 TRP 87 HH TRP 87 -4.401 -3.040 -4.150 439 H LEU 88 H LEU 88 -4.968 -3.271 2.667 440 HA LEU 88 HA LEU 88 -3.627 -5.205 1.092 441 1HB LEU 88 1HB LEU 88 -3.009 -2.690 1.909 442 2HB LEU 88 2HB LEU 88 -2.015 -3.618 3.007 443 HG LEU 88 HG LEU 88 -1.003 -2.858 0.904 444 1HD1 LEU 88 1HD1 LEU 88 0.283 -4.655 0.523 445 2HD1 LEU 88 2HD1 LEU 88 -0.400 -5.156 2.083 446 3HD1 LEU 88 3HD1 LEU 88 -1.040 -5.853 0.572 447 1HD2 LEU 88 1HD2 LEU 88 -2.861 -4.454 -0.739 448 2HD2 LEU 88 2HD2 LEU 88 -2.595 -2.693 -0.500 449 3HD2 LEU 88 3HD2 LEU 88 -1.341 -3.683 -1.245 450 H ALA 89 H ALA 89 -3.891 -4.688 4.617 451 HA ALA 89 HA ALA 89 -2.415 -6.924 5.526 452 1HB ALA 89 1HB ALA 89 -3.757 -6.783 7.549 453 2HB ALA 89 2HB ALA 89 -3.149 -5.212 6.998 454 3HB ALA 89 3HB ALA 89 -4.858 -5.640 6.754 455 H GLU 90 H GLU 90 -5.767 -6.664 4.399 456 HA GLU 90 HA GLU 90 -6.423 -9.440 4.794 457 1HB GLU 90 1HB GLU 90 -7.981 -7.625 4.984 458 2HB GLU 90 2HB GLU 90 -7.773 -7.153 3.312 459 1HG GLU 90 1HG GLU 90 -8.703 -9.973 3.882 460 2HG GLU 90 2HG GLU 90 -9.824 -8.632 4.142 461 H LYS 91 H LYS 91 -4.553 -7.893 2.309 462 HA LYS 91 HA LYS 91 -5.591 -9.410 0.079 463 1HB LYS 91 1HB LYS 91 -4.319 -7.045 0.477 464 2HB LYS 91 2HB LYS 91 -2.947 -7.973 -0.078 465 1HG LYS 91 1HG LYS 91 -5.655 -7.584 -1.466 466 2HG LYS 91 2HG LYS 91 -4.205 -6.621 -1.746 467 1HD LYS 91 1HD LYS 91 -4.453 -9.589 -2.395 468 2HD LYS 91 2HD LYS 91 -4.583 -8.237 -3.526 469 1HE LYS 91 1HE LYS 91 -2.231 -7.523 -2.598 470 2HE LYS 91 2HE LYS 91 -2.108 -9.174 -1.990 471 1HZ LYS 91 1HZ LYS 91 -2.231 -9.964 -4.215 472 2HZ LYS 91 2HZ LYS 91 -2.720 -8.515 -4.828 473 3HZ LYS 91 3HZ LYS 91 -1.195 -8.691 -4.297 474 H LYS 92 H LYS 92 -3.615 -10.333 2.506 475 HA LYS 92 HA LYS 92 -1.161 -10.974 1.340 476 1HB LYS 92 1HB LYS 92 -0.697 -11.849 3.509 477 2HB LYS 92 2HB LYS 92 -1.520 -10.274 3.516 478 1HG LYS 92 1HG LYS 92 -3.653 -11.338 4.187 479 2HG LYS 92 2HG LYS 92 -2.945 -12.943 3.981 480 1HD LYS 92 1HD LYS 92 -1.353 -12.468 5.812 481 2HD LYS 92 2HD LYS 92 -2.086 -10.858 6.025 482 1HE LYS 92 1HE LYS 92 -4.214 -11.786 6.658 483 2HE LYS 92 2HE LYS 92 -3.712 -13.430 6.218 484 1HZ LYS 92 1HZ LYS 92 -2.541 -11.835 8.398 485 2HZ LYS 92 2HZ LYS 92 -3.623 -13.066 8.582 486 3HZ LYS 92 3HZ LYS 92 -2.119 -13.374 7.990 487 HHA HEC 93 HHA HEC 93 8.692 -0.280 0.213 488 HHB HEC 93 HHB HEC 93 2.263 -0.036 0.673 489 HHC HEC 93 HHC HEC 93 2.275 4.214 -4.163 490 HHD HEC 93 HHD HEC 93 8.559 3.364 -4.961 491 1HMA HEC 93 1HMA HEC 93 3.940 -2.429 2.148 492 2HMA HEC 93 2HMA HEC 93 4.636 -1.408 3.426 493 3HMA HEC 93 3HMA HEC 93 3.141 -0.915 2.635 494 1HAA HEC 93 1HAA HEC 93 6.893 -1.792 3.064 495 2HAA HEC 93 2HAA HEC 93 8.065 -0.670 2.457 496 1HBA HEC 93 1HBA HEC 93 7.839 -2.282 0.324 497 2HBA HEC 93 2HBA HEC 93 7.385 -3.460 1.557 498 1HMB HEC 93 1HMB HEC 93 -0.805 1.022 -1.238 499 2HMB HEC 93 2HMB HEC 93 0.298 -0.284 -0.841 500 3HMB HEC 93 3HMB HEC 93 0.005 0.998 0.344 501 HAB HEC 93 HAB HEC 93 0.355 4.126 -3.384 502 1HBB HEC 93 1HBB HEC 93 -1.189 3.191 -0.950 503 2HBB HEC 93 2HBB HEC 93 -0.259 4.685 -1.117 504 3HBB HEC 93 3HBB HEC 93 -1.688 4.414 -2.129 505 1HMC HEC 93 1HMC HEC 93 3.171 6.020 -5.536 506 2HMC HEC 93 2HMC HEC 93 4.247 5.851 -6.928 507 3HMC HEC 93 3HMC HEC 93 3.053 4.602 -6.600 508 HAC HEC 93 HAC HEC 93 7.890 4.458 -6.589 509 1HBC HEC 93 1HBC HEC 93 7.645 6.687 -5.782 510 2HBC HEC 93 2HBC HEC 93 7.622 6.666 -7.551 511 3HBC HEC 93 3HBC HEC 93 6.118 6.913 -6.644 512 1HMD HEC 93 1HMD HEC 93 10.160 1.903 -5.152 513 2HMD HEC 93 2HMD HEC 93 11.294 2.649 -3.989 514 3HMD HEC 93 3HMD HEC 93 11.207 0.880 -4.190 515 1HAD HEC 93 1HAD HEC 93 10.915 -0.626 -1.346 516 2HAD HEC 93 2HAD HEC 93 10.654 0.510 -0.134 517 1HBD HEC 93 1HBD HEC 93 12.724 1.105 -0.380 518 2HBD HEC 93 2HBD HEC 93 11.943 2.275 -1.412 Start of MODEL 28 1 1H VAL 22 1H VAL 22 -14.424 4.311 -0.216 2 2H VAL 22 2H VAL 22 -13.391 4.474 1.062 3 3H VAL 22 3H VAL 22 -14.174 5.813 0.447 4 HA VAL 22 HA VAL 22 -13.055 5.473 -1.640 5 HB VAL 22 HB VAL 22 -10.939 5.593 0.549 6 1HG1 VAL 22 1HG1 VAL 22 -11.260 6.954 -2.173 7 2HG1 VAL 22 2HG1 VAL 22 -9.891 7.148 -1.068 8 3HG1 VAL 22 3HG1 VAL 22 -10.204 5.574 -1.824 9 1HG2 VAL 22 1HG2 VAL 22 -12.819 7.831 -0.324 10 2HG2 VAL 22 2HG2 VAL 22 -12.685 7.130 1.311 11 3HG2 VAL 22 3HG2 VAL 22 -11.337 8.040 0.630 12 H ASP 23 H ASP 23 -12.927 3.640 -2.752 13 HA ASP 23 HA ASP 23 -12.718 1.183 -1.615 14 1HB ASP 23 1HB ASP 23 -12.473 2.009 -4.529 15 2HB ASP 23 2HB ASP 23 -12.909 0.396 -3.943 16 H ALA 24 H ALA 24 -10.994 0.302 -0.743 17 HA ALA 24 HA ALA 24 -8.498 1.337 -0.838 18 1HB ALA 24 1HB ALA 24 -9.227 -1.533 -0.211 19 2HB ALA 24 2HB ALA 24 -7.749 -0.662 0.291 20 3HB ALA 24 3HB ALA 24 -9.336 -0.171 0.921 21 H GLU 25 H GLU 25 -9.540 -1.618 -2.632 22 HA GLU 25 HA GLU 25 -6.996 -1.998 -3.836 23 1HB GLU 25 1HB GLU 25 -7.861 -3.694 -5.021 24 2HB GLU 25 2HB GLU 25 -9.095 -3.606 -3.764 25 1HG GLU 25 1HG GLU 25 -10.494 -2.241 -5.352 26 2HG GLU 25 2HG GLU 25 -9.237 -2.479 -6.612 27 H ALA 26 H ALA 26 -9.821 0.016 -4.790 28 HA ALA 26 HA ALA 26 -8.900 0.615 -7.409 29 1HB ALA 26 1HB ALA 26 -10.609 2.429 -5.682 30 2HB ALA 26 2HB ALA 26 -10.515 2.372 -7.444 31 3HB ALA 26 3HB ALA 26 -11.235 1.008 -6.562 32 H VAL 27 H VAL 27 -8.493 2.364 -4.303 33 HA VAL 27 HA VAL 27 -6.703 4.475 -5.125 34 HB VAL 27 HB VAL 27 -6.690 2.757 -2.601 35 1HG1 VAL 27 1HG1 VAL 27 -5.376 4.565 -1.592 36 2HG1 VAL 27 2HG1 VAL 27 -4.480 3.826 -2.914 37 3HG1 VAL 27 3HG1 VAL 27 -5.277 5.394 -3.156 38 1HG2 VAL 27 1HG2 VAL 27 -8.778 4.090 -2.980 39 2HG2 VAL 27 2HG2 VAL 27 -7.851 4.588 -1.560 40 3HG2 VAL 27 3HG2 VAL 27 -7.781 5.557 -3.051 41 H VAL 28 H VAL 28 -5.855 1.120 -4.002 42 HA VAL 28 HA VAL 28 -3.195 1.724 -4.557 43 HB VAL 28 HB VAL 28 -4.711 -0.834 -3.983 44 1HG1 VAL 28 1HG1 VAL 28 -2.963 -1.870 -4.961 45 2HG1 VAL 28 2HG1 VAL 28 -1.844 -0.533 -4.689 46 3HG1 VAL 28 3HG1 VAL 28 -2.219 -1.608 -3.363 47 1HG2 VAL 28 1HG2 VAL 28 -2.772 0.049 -1.994 48 2HG2 VAL 28 2HG2 VAL 28 -3.818 1.395 -2.423 49 3HG2 VAL 28 3HG2 VAL 28 -4.539 -0.110 -1.873 50 H GLN 29 H GLN 29 -5.468 0.090 -6.526 51 HA GLN 29 HA GLN 29 -3.857 -0.552 -8.792 52 1HB GLN 29 1HB GLN 29 -6.840 -0.317 -8.253 53 2HB GLN 29 2HB GLN 29 -6.264 -0.847 -9.797 54 1HG GLN 29 1HG GLN 29 -5.620 -2.249 -7.181 55 2HG GLN 29 2HG GLN 29 -6.806 -2.767 -8.387 56 1HE2 GLN 29 1HE2 GLN 29 -4.260 -4.115 -7.365 57 2HE2 GLN 29 2HE2 GLN 29 -3.263 -4.330 -8.801 58 H GLN 30 H GLN 30 -4.685 2.521 -7.675 59 HA GLN 30 HA GLN 30 -3.893 3.504 -10.383 60 1HB GLN 30 1HB GLN 30 -6.350 3.999 -9.144 61 2HB GLN 30 2HB GLN 30 -5.423 5.453 -8.777 62 1HG GLN 30 1HG GLN 30 -5.805 4.193 -11.544 63 2HG GLN 30 2HG GLN 30 -6.757 5.540 -10.916 64 1HE2 GLN 30 1HE2 GLN 30 -5.360 7.491 -10.106 65 2HE2 GLN 30 2HE2 GLN 30 -4.016 7.910 -11.159 66 H LYS 31 H LYS 31 -3.246 3.623 -6.951 67 HA LYS 31 HA LYS 31 -1.437 5.959 -7.309 68 1HB LYS 31 1HB LYS 31 -3.551 5.244 -5.405 69 2HB LYS 31 2HB LYS 31 -2.082 5.619 -4.570 70 1HG LYS 31 1HG LYS 31 -1.974 7.806 -5.639 71 2HG LYS 31 2HG LYS 31 -3.278 7.363 -6.766 72 1HD LYS 31 1HD LYS 31 -4.883 7.165 -4.934 73 2HD LYS 31 2HD LYS 31 -3.623 7.487 -3.732 74 1HE LYS 31 1HE LYS 31 -3.317 9.751 -4.519 75 2HE LYS 31 2HE LYS 31 -4.387 9.484 -5.914 76 1HZ LYS 31 1HZ LYS 31 -5.437 10.633 -3.960 77 2HZ LYS 31 2HZ LYS 31 -6.220 9.256 -4.442 78 3HZ LYS 31 3HZ LYS 31 -5.320 9.201 -3.131 79 H CYS 32 H CYS 32 -1.370 2.539 -6.505 80 HA CYS 32 HA CYS 32 1.424 2.925 -5.484 81 1HB CYS 32 1HB CYS 32 -0.076 0.402 -5.123 82 2HB CYS 32 2HB CYS 32 1.221 1.039 -4.156 83 H ILE 33 H ILE 33 -0.646 0.918 -7.600 84 HA ILE 33 HA ILE 33 1.343 -0.753 -8.583 85 HB ILE 33 HB ILE 33 0.021 -1.011 -10.593 86 1HG1 ILE 33 1HG1 ILE 33 -1.942 1.066 -9.587 87 2HG1 ILE 33 2HG1 ILE 33 -0.720 1.410 -10.814 88 1HG2 ILE 33 1HG2 ILE 33 -1.659 -0.978 -8.065 89 2HG2 ILE 33 2HG2 ILE 33 -1.969 -1.943 -9.513 90 3HG2 ILE 33 3HG2 ILE 33 -0.516 -2.243 -8.555 91 1HD1 ILE 33 1HD1 ILE 33 -2.921 -0.653 -11.101 92 2HD1 ILE 33 2HD1 ILE 33 -2.706 0.865 -11.993 93 3HD1 ILE 33 3HD1 ILE 33 -1.558 -0.458 -12.223 94 H SER 34 H SER 34 0.791 2.596 -9.366 95 HA SER 34 HA SER 34 2.245 3.182 -11.590 96 1HB SER 34 1HB SER 34 2.261 4.532 -8.862 97 2HB SER 34 2HB SER 34 3.030 5.231 -10.294 98 HG SER 34 HG SER 34 0.307 4.423 -10.339 99 H CYS 35 H CYS 35 3.668 2.159 -8.449 100 HA CYS 35 HA CYS 35 6.295 1.877 -9.866 101 1HB CYS 35 1HB CYS 35 6.118 2.237 -6.874 102 2HB CYS 35 2HB CYS 35 7.494 2.390 -7.948 103 H HIS 36 H HIS 36 4.032 0.471 -7.440 104 HA HIS 36 HA HIS 36 5.671 -1.863 -7.081 105 1HB HIS 36 1HB HIS 36 2.823 -1.236 -6.253 106 2HB HIS 36 2HB HIS 36 3.671 -2.729 -5.863 107 HD1 HIS 36 1HD HIS 36 5.759 -2.632 -4.160 108 HD2 HIS 36 2HD HIS 36 3.638 0.979 -4.772 109 HE1 HIS 36 1HE HIS 36 6.407 -1.055 -2.279 110 H GLY 37 H GLY 37 3.470 -1.117 -9.656 111 1HA GLY 37 1HA GLY 37 4.146 -2.386 -11.584 112 2HA GLY 37 2HA GLY 37 3.902 -3.898 -10.708 113 H GLY 38 H GLY 38 1.750 -4.573 -10.261 114 1HA GLY 38 1HA GLY 38 -0.594 -3.147 -11.330 115 2HA GLY 38 2HA GLY 38 -0.101 -4.580 -12.249 116 H ASP 39 H ASP 39 0.319 -6.589 -10.888 117 HA ASP 39 HA ASP 39 -1.712 -7.088 -8.901 118 1HB ASP 39 1HB ASP 39 0.678 -8.712 -9.852 119 2HB ASP 39 2HB ASP 39 -0.583 -9.298 -8.753 120 H LEU 40 H LEU 40 0.926 -5.193 -8.554 121 HA LEU 40 HA LEU 40 2.100 -4.363 -6.766 122 1HB LEU 40 1HB LEU 40 0.352 -6.082 -5.006 123 2HB LEU 40 2HB LEU 40 1.204 -4.612 -4.586 124 HG LEU 40 HG LEU 40 -0.869 -4.453 -6.814 125 1HD1 LEU 40 1HD1 LEU 40 -2.625 -4.110 -5.123 126 2HD1 LEU 40 2HD1 LEU 40 -2.005 -5.766 -5.145 127 3HD1 LEU 40 3HD1 LEU 40 -1.475 -4.658 -3.866 128 1HD2 LEU 40 1HD2 LEU 40 -0.329 -2.507 -4.610 129 2HD2 LEU 40 2HD2 LEU 40 0.669 -2.537 -6.085 130 3HD2 LEU 40 3HD2 LEU 40 -1.072 -2.244 -6.191 131 H THR 41 H THR 41 2.722 -6.990 -8.153 132 HA THR 41 HA THR 41 4.081 -8.687 -6.310 133 HB THR 41 HB THR 41 4.824 -9.546 -8.701 134 HG1 THR 41 1HG THR 41 3.349 -8.717 -10.292 135 1HG2 THR 41 1HG2 THR 41 3.080 -10.638 -7.333 136 2HG2 THR 41 2HG2 THR 41 1.890 -9.426 -7.833 137 3HG2 THR 41 3HG2 THR 41 2.558 -10.558 -9.026 138 H GLY 42 H GLY 42 4.929 -5.619 -7.702 139 1HA GLY 42 1HA GLY 42 6.662 -4.517 -6.700 140 2HA GLY 42 2HA GLY 42 7.581 -6.007 -6.451 141 H ALA 43 H ALA 43 6.414 -3.807 -9.003 142 HA ALA 43 HA ALA 43 8.399 -4.741 -10.938 143 1HB ALA 43 1HB ALA 43 7.539 -2.899 -12.342 144 2HB ALA 43 2HB ALA 43 6.260 -3.961 -11.724 145 3HB ALA 43 3HB ALA 43 6.509 -2.360 -11.000 146 H SER 44 H SER 44 7.934 -1.362 -9.811 147 HA SER 44 HA SER 44 10.871 -0.909 -9.988 148 1HB SER 44 1HB SER 44 9.301 0.554 -11.295 149 2HB SER 44 2HB SER 44 8.602 1.099 -9.755 150 HG SER 44 HG SER 44 10.836 1.656 -9.181 151 H ALA 45 H ALA 45 8.867 -1.999 -7.676 152 HA ALA 45 HA ALA 45 10.222 -0.770 -5.383 153 1HB ALA 45 1HB ALA 45 7.999 -0.294 -4.353 154 2HB ALA 45 2HB ALA 45 8.216 0.663 -5.826 155 3HB ALA 45 3HB ALA 45 7.202 -0.778 -5.856 156 HA PRO 46 HA PRO 46 9.872 -5.067 -4.358 157 1HB PRO 46 1HB PRO 46 9.360 -5.195 -1.650 158 2HB PRO 46 2HB PRO 46 10.929 -4.677 -2.334 159 1HG PRO 46 1HG PRO 46 8.610 -2.922 -1.504 160 2HG PRO 46 2HG PRO 46 10.315 -2.785 -0.966 161 1HD PRO 46 1HD PRO 46 9.376 -1.264 -2.988 162 2HD PRO 46 2HD PRO 46 10.979 -2.027 -3.176 163 H ALA 47 H ALA 47 8.427 -6.768 -3.580 164 HA ALA 47 HA ALA 47 5.808 -6.418 -4.639 165 1HB ALA 47 1HB ALA 47 5.568 -8.748 -4.217 166 2HB ALA 47 2HB ALA 47 7.272 -8.523 -4.635 167 3HB ALA 47 3HB ALA 47 6.812 -8.736 -2.940 168 H ILE 48 H ILE 48 4.132 -5.472 -3.597 169 HA ILE 48 HA ILE 48 3.939 -5.835 -0.644 170 HB ILE 48 HB ILE 48 2.680 -3.770 -0.391 171 1HG1 ILE 48 1HG1 ILE 48 3.332 -1.947 -2.138 172 2HG1 ILE 48 2HG1 ILE 48 3.394 -3.285 -3.288 173 1HG2 ILE 48 1HG2 ILE 48 5.429 -3.452 -1.582 174 2HG2 ILE 48 2HG2 ILE 48 4.612 -2.382 -0.417 175 3HG2 ILE 48 3HG2 ILE 48 5.073 -4.014 0.083 176 1HD1 ILE 48 1HD1 ILE 48 1.101 -2.234 -1.561 177 2HD1 ILE 48 2HD1 ILE 48 1.275 -2.086 -3.301 178 3HD1 ILE 48 3HD1 ILE 48 0.925 -3.689 -2.573 179 H ASP 49 H ASP 49 2.708 -6.932 -3.465 180 HA ASP 49 HA ASP 49 0.067 -7.560 -3.204 181 1HB ASP 49 1HB ASP 49 0.694 -9.785 -4.021 182 2HB ASP 49 2HB ASP 49 1.658 -8.563 -4.842 183 H LYS 50 H LYS 50 2.690 -8.879 -1.293 184 HA LYS 50 HA LYS 50 0.838 -10.365 0.499 185 1HB LYS 50 1HB LYS 50 2.674 -11.804 0.947 186 2HB LYS 50 2HB LYS 50 2.581 -11.566 -0.805 187 1HG LYS 50 1HG LYS 50 4.425 -9.775 -0.528 188 2HG LYS 50 2HG LYS 50 4.506 -10.251 1.144 189 1HD LYS 50 1HD LYS 50 5.878 -11.928 0.675 190 2HD LYS 50 2HD LYS 50 4.634 -12.707 -0.293 191 1HE LYS 50 1HE LYS 50 6.735 -10.710 -1.231 192 2HE LYS 50 2HE LYS 50 6.651 -12.429 -1.628 193 1HZ LYS 50 1HZ LYS 50 5.801 -11.166 -3.458 194 2HZ LYS 50 2HZ LYS 50 4.441 -11.800 -2.805 195 3HZ LYS 50 3HZ LYS 50 4.809 -10.296 -2.520 196 H ALA 51 H ALA 51 2.003 -7.340 0.588 197 HA ALA 51 HA ALA 51 3.689 -7.091 2.791 198 1HB ALA 51 1HB ALA 51 1.487 -5.259 1.787 199 2HB ALA 51 2HB ALA 51 2.675 -4.793 3.020 200 3HB ALA 51 3HB ALA 51 3.214 -5.218 1.386 201 H GLY 52 H GLY 52 0.080 -7.521 2.815 202 1HA GLY 52 1HA GLY 52 -0.343 -7.120 5.548 203 2HA GLY 52 2HA GLY 52 -1.241 -8.239 4.489 204 H ALA 53 H ALA 53 1.113 -9.958 3.949 205 HA ALA 53 HA ALA 53 1.006 -11.647 6.332 206 1HB ALA 53 1HB ALA 53 2.481 -13.125 5.081 207 2HB ALA 53 2HB ALA 53 1.129 -12.632 4.051 208 3HB ALA 53 3HB ALA 53 2.731 -11.899 3.830 209 H ASN 54 H ASN 54 3.428 -9.577 4.693 210 HA ASN 54 HA ASN 54 5.555 -10.305 6.538 211 1HB ASN 54 1HB ASN 54 5.292 -8.135 4.426 212 2HB ASN 54 2HB ASN 54 6.722 -8.307 5.446 213 1HD2 ASN 54 1HD2 ASN 54 8.080 -10.207 5.275 214 2HD2 ASN 54 2HD2 ASN 54 7.978 -11.190 3.822 215 H TYR 55 H TYR 55 3.193 -7.674 6.423 216 HA TYR 55 HA TYR 55 4.351 -6.420 8.860 217 1HB TYR 55 1HB TYR 55 3.408 -4.852 6.444 218 2HB TYR 55 2HB TYR 55 4.305 -4.269 7.842 219 HD1 TYR 55 1HD TYR 55 4.640 -4.783 4.463 220 HD2 TYR 55 2HD TYR 55 6.676 -5.712 8.149 221 HE1 TYR 55 1HE TYR 55 6.777 -4.998 3.227 222 HE2 TYR 55 2HE TYR 55 8.796 -6.006 6.890 223 HH TYR 55 HH TYR 55 9.160 -5.137 3.498 224 H SER 56 H SER 56 2.802 -5.178 10.030 225 HA SER 56 HA SER 56 0.048 -6.206 9.746 226 1HB SER 56 1HB SER 56 1.415 -4.566 11.922 227 2HB SER 56 2HB SER 56 -0.216 -5.255 12.026 228 HG SER 56 HG SER 56 2.256 -6.619 11.677 229 H GLU 57 H GLU 57 -1.797 -4.717 9.941 230 HA GLU 57 HA GLU 57 -1.801 -2.925 7.838 231 1HB GLU 57 1HB GLU 57 -4.024 -2.298 8.485 232 2HB GLU 57 2HB GLU 57 -3.809 -4.011 8.722 233 1HG GLU 57 1HG GLU 57 -4.791 -3.690 10.682 234 2HG GLU 57 2HG GLU 57 -3.229 -3.122 11.269 235 H GLU 58 H GLU 58 -1.429 -2.124 11.290 236 HA GLU 58 HA GLU 58 -1.164 0.613 11.218 237 1HB GLU 58 1HB GLU 58 0.180 0.301 13.288 238 2HB GLU 58 2HB GLU 58 -1.259 -0.718 13.222 239 1HG GLU 58 1HG GLU 58 0.431 -2.542 12.244 240 2HG GLU 58 2HG GLU 58 1.640 -1.520 13.034 241 H GLU 59 H GLU 59 1.434 -1.771 10.514 242 HA GLU 59 HA GLU 59 3.554 0.151 10.238 243 1HB GLU 59 1HB GLU 59 3.217 -2.655 9.076 244 2HB GLU 59 2HB GLU 59 4.728 -1.754 9.127 245 1HG GLU 59 1HG GLU 59 4.657 -1.738 11.601 246 2HG GLU 59 2HG GLU 59 3.138 -2.649 11.573 247 H ILE 60 H ILE 60 1.316 -1.441 8.000 248 HA ILE 60 HA ILE 60 2.479 -0.400 5.576 249 HB ILE 60 HB ILE 60 -0.323 -1.427 6.114 250 1HG1 ILE 60 1HG1 ILE 60 2.105 -2.885 4.967 251 2HG1 ILE 60 2HG1 ILE 60 1.529 -3.063 6.623 252 1HG2 ILE 60 1HG2 ILE 60 -0.509 -1.781 3.705 253 2HG2 ILE 60 2HG2 ILE 60 -0.159 -0.093 4.033 254 3HG2 ILE 60 3HG2 ILE 60 1.137 -1.157 3.455 255 1HD1 ILE 60 1HD1 ILE 60 -0.686 -3.861 5.739 256 2HD1 ILE 60 2HD1 ILE 60 0.064 -3.933 4.124 257 3HD1 ILE 60 3HD1 ILE 60 0.705 -4.919 5.443 258 H LEU 61 H LEU 61 -0.316 0.567 7.562 259 HA LEU 61 HA LEU 61 -1.229 2.847 6.287 260 1HB LEU 61 1HB LEU 61 -2.213 1.761 8.291 261 2HB LEU 61 2HB LEU 61 -0.892 2.306 9.278 262 HG LEU 61 HG LEU 61 -1.502 4.640 9.011 263 1HD1 LEU 61 1HD1 LEU 61 -2.443 4.698 6.789 264 2HD1 LEU 61 2HD1 LEU 61 -3.718 3.548 7.248 265 3HD1 LEU 61 3HD1 LEU 61 -3.713 5.196 7.913 266 1HD2 LEU 61 1HD2 LEU 61 -2.504 3.310 10.829 267 2HD2 LEU 61 2HD2 LEU 61 -3.623 4.563 10.260 268 3HD2 LEU 61 3HD2 LEU 61 -3.863 2.871 9.772 269 H ASP 62 H ASP 62 1.266 2.626 8.882 270 HA ASP 62 HA ASP 62 1.893 5.396 8.857 271 1HB ASP 62 1HB ASP 62 2.583 3.867 10.670 272 2HB ASP 62 2HB ASP 62 3.738 3.085 9.576 273 H ILE 63 H ILE 63 3.257 2.650 7.029 274 HA ILE 63 HA ILE 63 5.361 4.208 5.814 275 HB ILE 63 HB ILE 63 4.133 1.500 5.361 276 1HG1 ILE 63 1HG1 ILE 63 6.978 2.547 5.744 277 2HG1 ILE 63 2HG1 ILE 63 5.916 1.915 7.011 278 1HG2 ILE 63 1HG2 ILE 63 5.585 1.108 3.404 279 2HG2 ILE 63 2HG2 ILE 63 4.260 2.199 3.067 280 3HG2 ILE 63 3HG2 ILE 63 5.911 2.846 3.294 281 1HD1 ILE 63 1HD1 ILE 63 7.427 0.169 6.457 282 2HD1 ILE 63 2HD1 ILE 63 5.875 -0.291 5.726 283 3HD1 ILE 63 3HD1 ILE 63 7.190 0.378 4.722 284 H ILE 64 H ILE 64 2.017 3.506 4.725 285 HA ILE 64 HA ILE 64 2.241 4.826 2.194 286 HB ILE 64 HB ILE 64 -0.106 4.500 4.096 287 1HG1 ILE 64 1HG1 ILE 64 0.469 3.072 1.474 288 2HG1 ILE 64 2HG1 ILE 64 1.094 2.456 3.003 289 1HG2 ILE 64 1HG2 ILE 64 -1.542 5.017 2.128 290 2HG2 ILE 64 2HG2 ILE 64 -0.583 6.403 2.610 291 3HG2 ILE 64 3HG2 ILE 64 -0.093 5.448 1.195 292 1HD1 ILE 64 1HD1 ILE 64 -0.964 1.342 2.595 293 2HD1 ILE 64 2HD1 ILE 64 -1.242 2.452 3.941 294 3HD1 ILE 64 3HD1 ILE 64 -1.822 2.866 2.313 295 H LEU 65 H LEU 65 1.277 6.038 5.427 296 HA LEU 65 HA LEU 65 0.853 8.732 4.592 297 1HB LEU 65 1HB LEU 65 1.504 7.487 7.275 298 2HB LEU 65 2HB LEU 65 1.076 9.186 7.080 299 HG LEU 65 HG LEU 65 -0.824 6.987 6.087 300 1HD1 LEU 65 1HD1 LEU 65 -1.958 7.159 8.257 301 2HD1 LEU 65 2HD1 LEU 65 -0.299 6.573 8.481 302 3HD1 LEU 65 3HD1 LEU 65 -0.698 8.258 8.861 303 1HD2 LEU 65 1HD2 LEU 65 -1.214 9.876 7.005 304 2HD2 LEU 65 2HD2 LEU 65 -1.233 9.305 5.322 305 3HD2 LEU 65 3HD2 LEU 65 -2.480 8.759 6.466 306 H ASN 66 H ASN 66 3.760 7.054 5.718 307 HA ASN 66 HA ASN 66 5.292 9.554 6.034 308 1HB ASN 66 1HB ASN 66 5.802 6.640 6.751 309 2HB ASN 66 2HB ASN 66 7.051 7.853 6.841 310 1HD2 ASN 66 1HD2 ASN 66 3.777 7.186 7.972 311 2HD2 ASN 66 2HD2 ASN 66 4.113 7.556 9.622 312 H GLY 67 H GLY 67 5.759 6.401 4.331 313 1HA GLY 67 1HA GLY 67 6.648 6.629 1.969 314 2HA GLY 67 2HA GLY 67 7.956 7.579 2.701 315 H GLN 68 H GLN 68 9.107 5.741 1.595 316 HA GLN 68 HA GLN 68 10.283 4.112 3.583 317 1HB GLN 68 1HB GLN 68 8.471 2.322 2.975 318 2HB GLN 68 2HB GLN 68 8.842 2.663 1.304 319 1HG GLN 68 1HG GLN 68 9.830 0.616 2.026 320 2HG GLN 68 2HG GLN 68 11.133 1.735 1.624 321 1HE2 GLN 68 1HE2 GLN 68 10.723 -0.779 3.393 322 2HE2 GLN 68 2HE2 GLN 68 11.590 -0.282 4.847 323 H GLY 69 H GLY 69 12.465 4.349 2.909 324 1HA GLY 69 1HA GLY 69 14.238 4.887 1.522 325 2HA GLY 69 2HA GLY 69 13.576 3.584 0.531 326 H GLY 70 H GLY 70 13.055 4.146 -1.597 327 1HA GLY 70 1HA GLY 70 13.290 6.905 -2.464 328 2HA GLY 70 2HA GLY 70 12.923 5.474 -3.433 329 H MET 71 H MET 71 10.603 5.035 -1.306 330 HA MET 71 HA MET 71 8.527 6.022 -2.993 331 1HB MET 71 1HB MET 71 8.487 3.995 -1.530 332 2HB MET 71 2HB MET 71 8.424 5.021 -0.132 333 1HG MET 71 1HG MET 71 6.318 5.881 -0.608 334 2HG MET 71 2HG MET 71 6.224 5.110 -2.192 335 1HE MET 71 1HE MET 71 3.820 3.430 0.771 336 2HE MET 71 2HE MET 71 4.591 5.015 0.988 337 3HE MET 71 3HE MET 71 3.779 4.620 -0.549 338 HA PRO 72 HA PRO 72 8.834 10.151 -1.225 339 1HB PRO 72 1HB PRO 72 6.592 11.346 -2.303 340 2HB PRO 72 2HB PRO 72 8.074 10.986 -3.238 341 1HG PRO 72 1HG PRO 72 5.553 9.329 -3.060 342 2HG PRO 72 2HG PRO 72 6.444 9.803 -4.533 343 1HD PRO 72 1HD PRO 72 6.813 7.370 -3.421 344 2HD PRO 72 2HD PRO 72 8.223 8.283 -4.054 345 H GLY 73 H GLY 73 5.813 8.314 -0.981 346 1HA GLY 73 1HA GLY 73 4.615 7.826 0.930 347 2HA GLY 73 2HA GLY 73 5.664 8.907 1.860 348 H GLY 74 H GLY 74 3.050 8.860 2.347 349 1HA GLY 74 1HA GLY 74 1.282 10.253 2.749 350 2HA GLY 74 2HA GLY 74 2.275 11.598 2.142 351 H ILE 75 H ILE 75 1.762 8.834 0.144 352 HA ILE 75 HA ILE 75 0.630 10.228 -2.077 353 HB ILE 75 HB ILE 75 1.093 7.314 -1.345 354 1HG1 ILE 75 1HG1 ILE 75 2.536 8.750 -3.564 355 2HG1 ILE 75 2HG1 ILE 75 2.985 9.178 -1.914 356 1HG2 ILE 75 1HG2 ILE 75 -0.698 7.234 -2.975 357 2HG2 ILE 75 2HG2 ILE 75 0.136 8.406 -4.019 358 3HG2 ILE 75 3HG2 ILE 75 0.803 6.782 -3.776 359 1HD1 ILE 75 1HD1 ILE 75 4.369 7.319 -2.878 360 2HD1 ILE 75 2HD1 ILE 75 3.551 6.910 -1.355 361 3HD1 ILE 75 3HD1 ILE 75 2.911 6.318 -2.900 362 H ALA 76 H ALA 76 -0.710 8.385 0.615 363 HA ALA 76 HA ALA 76 -3.425 9.212 -0.136 364 1HB ALA 76 1HB ALA 76 -4.180 6.931 0.796 365 2HB ALA 76 2HB ALA 76 -3.471 6.898 -0.835 366 3HB ALA 76 3HB ALA 76 -2.518 6.382 0.567 367 H LYS 77 H LYS 77 -4.702 9.552 1.848 368 HA LYS 77 HA LYS 77 -3.341 9.158 4.381 369 1HB LYS 77 1HB LYS 77 -4.045 11.679 4.876 370 2HB LYS 77 2HB LYS 77 -2.447 11.199 4.324 371 1HG LYS 77 1HG LYS 77 -4.366 11.879 2.129 372 2HG LYS 77 2HG LYS 77 -4.007 13.205 3.222 373 1HD LYS 77 1HD LYS 77 -1.817 11.486 2.019 374 2HD LYS 77 2HD LYS 77 -2.424 12.925 1.203 375 1HE LYS 77 1HE LYS 77 -1.542 14.405 2.750 376 2HE LYS 77 2HE LYS 77 -1.588 13.264 4.093 377 1HZ LYS 77 1HZ LYS 77 0.242 12.885 1.830 378 2HZ LYS 77 2HZ LYS 77 0.655 13.759 3.192 379 3HZ LYS 77 3HZ LYS 77 0.267 12.169 3.309 380 H GLY 78 H GLY 78 -4.636 9.731 6.242 381 1HA GLY 78 1HA GLY 78 -6.483 9.302 7.491 382 2HA GLY 78 2HA GLY 78 -7.351 10.282 6.292 383 H ALA 79 H ALA 79 -9.194 9.078 6.118 384 HA ALA 79 HA ALA 79 -9.787 6.476 6.103 385 1HB ALA 79 1HB ALA 79 -11.422 8.260 5.760 386 2HB ALA 79 2HB ALA 79 -10.851 8.490 4.090 387 3HB ALA 79 3HB ALA 79 -11.631 6.966 4.565 388 H GLU 80 H GLU 80 -8.117 8.098 3.385 389 HA GLU 80 HA GLU 80 -8.412 5.942 1.508 390 1HB GLU 80 1HB GLU 80 -7.818 8.411 1.069 391 2HB GLU 80 2HB GLU 80 -6.183 8.003 1.598 392 1HG GLU 80 1HG GLU 80 -6.095 6.253 -0.198 393 2HG GLU 80 2HG GLU 80 -7.702 6.759 -0.717 394 H ALA 81 H ALA 81 -5.668 6.934 3.709 395 HA ALA 81 HA ALA 81 -4.064 4.665 2.936 396 1HB ALA 81 1HB ALA 81 -3.111 6.802 3.724 397 2HB ALA 81 2HB ALA 81 -3.804 6.514 5.338 398 3HB ALA 81 3HB ALA 81 -2.562 5.420 4.673 399 H GLU 82 H GLU 82 -6.339 5.387 5.599 400 HA GLU 82 HA GLU 82 -5.952 3.061 7.189 401 1HB GLU 82 1HB GLU 82 -8.430 4.712 6.591 402 2HB GLU 82 2HB GLU 82 -8.321 3.527 7.888 403 1HG GLU 82 1HG GLU 82 -6.781 4.812 9.131 404 2HG GLU 82 2HG GLU 82 -6.317 5.811 7.755 405 H ALA 83 H ALA 83 -8.273 3.672 4.497 406 HA ALA 83 HA ALA 83 -9.373 1.089 4.356 407 1HB ALA 83 1HB ALA 83 -10.019 1.691 2.060 408 2HB ALA 83 2HB ALA 83 -10.316 3.026 3.175 409 3HB ALA 83 3HB ALA 83 -8.912 3.075 2.085 410 H VAL 84 H VAL 84 -6.520 2.459 2.578 411 HA VAL 84 HA VAL 84 -5.791 0.072 1.285 412 HB VAL 84 HB VAL 84 -3.909 2.172 2.399 413 1HG1 VAL 84 1HG1 VAL 84 -3.470 -0.117 0.430 414 2HG1 VAL 84 2HG1 VAL 84 -2.308 1.160 0.743 415 3HG1 VAL 84 3HG1 VAL 84 -2.695 0.012 2.014 416 1HG2 VAL 84 1HG2 VAL 84 -5.012 1.717 -0.401 417 2HG2 VAL 84 2HG2 VAL 84 -5.268 3.149 0.611 418 3HG2 VAL 84 3HG2 VAL 84 -3.646 2.786 -0.013 419 H ALA 85 H ALA 85 -4.714 1.209 4.554 420 HA ALA 85 HA ALA 85 -2.956 -0.866 5.127 421 1HB ALA 85 1HB ALA 85 -4.812 0.591 7.067 422 2HB ALA 85 2HB ALA 85 -3.325 -0.269 7.474 423 3HB ALA 85 3HB ALA 85 -3.258 1.178 6.442 424 H ALA 86 H ALA 86 -6.439 -0.710 5.992 425 HA ALA 86 HA ALA 86 -6.617 -3.308 7.114 426 1HB ALA 86 1HB ALA 86 -9.049 -3.070 6.748 427 2HB ALA 86 2HB ALA 86 -8.332 -1.594 7.427 428 3HB ALA 86 3HB ALA 86 -8.760 -1.660 5.703 429 H TRP 87 H TRP 87 -7.525 -2.259 3.773 430 HA TRP 87 HA TRP 87 -8.227 -4.828 2.803 431 1HB TRP 87 1HB TRP 87 -8.912 -3.021 1.522 432 2HB TRP 87 2HB TRP 87 -7.328 -2.247 1.641 433 HD1 TRP 87 HD TRP 87 -9.154 -4.693 -0.629 434 HE1 TRP 87 1HE TRP 87 -7.646 -5.303 -2.597 435 HE3 TRP 87 3HE TRP 87 -5.107 -1.910 0.627 436 HZ2 TRP 87 2HZ TRP 87 -4.763 -4.790 -3.365 437 HZ3 TRP 87 3HZ TRP 87 -3.061 -1.922 -0.758 438 HH2 TRP 87 HH TRP 87 -2.862 -3.514 -2.625 439 H LEU 88 H LEU 88 -5.046 -3.150 2.607 440 HA LEU 88 HA LEU 88 -3.897 -5.177 1.093 441 1HB LEU 88 1HB LEU 88 -2.963 -2.743 1.697 442 2HB LEU 88 2HB LEU 88 -2.016 -3.674 2.851 443 HG LEU 88 HG LEU 88 -2.045 -3.912 -0.202 444 1HD1 LEU 88 1HD1 LEU 88 -0.691 -2.220 0.545 445 2HD1 LEU 88 2HD1 LEU 88 0.174 -3.319 1.671 446 3HD1 LEU 88 3HD1 LEU 88 0.226 -3.596 -0.097 447 1HD2 LEU 88 1HD2 LEU 88 -0.749 -5.745 -0.289 448 2HD2 LEU 88 2HD2 LEU 88 -0.649 -5.935 1.492 449 3HD2 LEU 88 3HD2 LEU 88 -2.143 -6.200 0.578 450 H ALA 89 H ALA 89 -4.008 -4.575 4.608 451 HA ALA 89 HA ALA 89 -2.503 -6.799 5.513 452 1HB ALA 89 1HB ALA 89 -3.096 -5.058 6.977 453 2HB ALA 89 2HB ALA 89 -4.837 -5.425 6.840 454 3HB ALA 89 3HB ALA 89 -3.734 -6.594 7.598 455 H GLU 90 H GLU 90 -5.919 -6.545 4.474 456 HA GLU 90 HA GLU 90 -6.488 -9.306 5.121 457 1HB GLU 90 1HB GLU 90 -8.559 -8.573 4.901 458 2HB GLU 90 2HB GLU 90 -7.942 -6.993 4.478 459 1HG GLU 90 1HG GLU 90 -7.898 -7.794 2.038 460 2HG GLU 90 2HG GLU 90 -8.776 -9.227 2.605 461 H LYS 91 H LYS 91 -4.858 -7.789 2.466 462 HA LYS 91 HA LYS 91 -5.589 -9.547 0.435 463 1HB LYS 91 1HB LYS 91 -4.520 -7.106 0.541 464 2HB LYS 91 2HB LYS 91 -3.055 -8.021 0.160 465 1HG LYS 91 1HG LYS 91 -5.654 -8.013 -1.473 466 2HG LYS 91 2HG LYS 91 -4.251 -6.979 -1.750 467 1HD LYS 91 1HD LYS 91 -3.912 -8.669 -3.300 468 2HD LYS 91 2HD LYS 91 -2.830 -9.054 -1.964 469 1HE LYS 91 1HE LYS 91 -4.823 -10.652 -1.154 470 2HE LYS 91 2HE LYS 91 -5.440 -10.416 -2.783 471 1HZ LYS 91 1HZ LYS 91 -4.045 -12.353 -2.550 472 2HZ LYS 91 2HZ LYS 91 -3.225 -11.273 -3.502 473 3HZ LYS 91 3HZ LYS 91 -2.846 -11.439 -1.884 474 H LYS 92 H LYS 92 -4.190 -10.798 2.850 475 HA LYS 92 HA LYS 92 -1.485 -11.523 1.840 476 1HB LYS 92 1HB LYS 92 -0.950 -11.730 4.019 477 2HB LYS 92 2HB LYS 92 -1.993 -10.297 3.754 478 1HG LYS 92 1HG LYS 92 -3.930 -11.604 4.665 479 2HG LYS 92 2HG LYS 92 -2.851 -12.963 5.023 480 1HD LYS 92 1HD LYS 92 -1.717 -11.748 6.761 481 2HD LYS 92 2HD LYS 92 -2.204 -10.211 6.093 482 1HE LYS 92 1HE LYS 92 -3.586 -10.309 7.934 483 2HE LYS 92 2HE LYS 92 -4.663 -10.834 6.639 484 1HZ LYS 92 1HZ LYS 92 -4.855 -12.254 8.519 485 2HZ LYS 92 2HZ LYS 92 -4.176 -13.117 7.288 486 3HZ LYS 92 3HZ LYS 92 -3.241 -12.578 8.538 487 HHA HEC 93 HHA HEC 93 8.572 -0.066 0.391 488 HHB HEC 93 HHB HEC 93 2.159 0.055 0.770 489 HHC HEC 93 HHC HEC 93 2.171 4.366 -4.008 490 HHD HEC 93 HHD HEC 93 8.416 3.316 -4.986 491 1HMA HEC 93 1HMA HEC 93 3.518 -0.618 3.207 492 2HMA HEC 93 2HMA HEC 93 3.195 -1.905 2.015 493 3HMA HEC 93 3HMA HEC 93 4.594 -2.023 3.087 494 1HAA HEC 93 1HAA HEC 93 6.822 -1.689 3.143 495 2HAA HEC 93 2HAA HEC 93 7.951 -0.543 2.538 496 1HBA HEC 93 1HBA HEC 93 7.981 -2.072 0.443 497 2HBA HEC 93 2HBA HEC 93 7.184 -3.273 1.450 498 1HMB HEC 93 1HMB HEC 93 0.014 0.988 0.540 499 2HMB HEC 93 2HMB HEC 93 -0.941 1.293 -0.922 500 3HMB HEC 93 3HMB HEC 93 0.091 -0.123 -0.837 501 HAB HEC 93 HAB HEC 93 0.192 4.035 -3.446 502 1HBB HEC 93 1HBB HEC 93 -0.440 4.924 -1.302 503 2HBB HEC 93 2HBB HEC 93 -1.872 4.398 -2.206 504 3HBB HEC 93 3HBB HEC 93 -1.265 3.431 -0.852 505 1HMC HEC 93 1HMC HEC 93 4.114 5.903 -6.860 506 2HMC HEC 93 2HMC HEC 93 2.911 4.681 -6.470 507 3HMC HEC 93 3HMC HEC 93 3.072 6.126 -5.449 508 HAC HEC 93 HAC HEC 93 7.780 4.596 -6.496 509 1HBC HEC 93 1HBC HEC 93 5.943 7.001 -6.458 510 2HBC HEC 93 2HBC HEC 93 7.530 6.795 -5.708 511 3HBC HEC 93 3HBC HEC 93 7.390 6.813 -7.469 512 1HMD HEC 93 1HMD HEC 93 11.168 0.977 -4.074 513 2HMD HEC 93 2HMD HEC 93 10.083 1.905 -5.092 514 3HMD HEC 93 3HMD HEC 93 11.138 2.756 -3.938 515 1HAD HEC 93 1HAD HEC 93 10.860 -0.502 -1.286 516 2HAD HEC 93 2HAD HEC 93 10.459 0.516 -0.033 517 1HBD HEC 93 1HBD HEC 93 12.653 0.876 -0.169 518 2HBD HEC 93 2HBD HEC 93 11.782 2.351 -0.565 Start of MODEL 29 1 1H VAL 22 1H VAL 22 -14.715 4.480 -1.690 2 2H VAL 22 2H VAL 22 -14.788 4.433 -0.055 3 3H VAL 22 3H VAL 22 -14.935 5.896 -0.847 4 HA VAL 22 HA VAL 22 -12.693 5.669 -1.673 5 HB VAL 22 HB VAL 22 -12.864 5.320 1.356 6 1HG1 VAL 22 1HG1 VAL 22 -10.614 6.400 1.346 7 2HG1 VAL 22 2HG1 VAL 22 -10.581 4.800 0.601 8 3HG1 VAL 22 3HG1 VAL 22 -10.559 6.252 -0.422 9 1HG2 VAL 22 1HG2 VAL 22 -12.570 7.785 1.365 10 2HG2 VAL 22 2HG2 VAL 22 -12.623 7.805 -0.408 11 3HG2 VAL 22 3HG2 VAL 22 -14.060 7.333 0.529 12 H ASP 23 H ASP 23 -12.056 3.988 -2.838 13 HA ASP 23 HA ASP 23 -12.882 1.362 -1.847 14 1HB ASP 23 1HB ASP 23 -12.526 2.597 -4.597 15 2HB ASP 23 2HB ASP 23 -13.077 0.948 -4.276 16 H ALA 24 H ALA 24 -11.236 0.443 -0.845 17 HA ALA 24 HA ALA 24 -8.690 1.224 -0.813 18 1HB ALA 24 1HB ALA 24 -8.121 -0.787 0.283 19 2HB ALA 24 2HB ALA 24 -9.753 -0.322 0.802 20 3HB ALA 24 3HB ALA 24 -9.551 -1.640 -0.373 21 H GLU 25 H GLU 25 -9.719 -1.619 -2.827 22 HA GLU 25 HA GLU 25 -7.080 -1.936 -3.859 23 1HB GLU 25 1HB GLU 25 -7.862 -3.575 -5.255 24 2HB GLU 25 2HB GLU 25 -9.019 -3.635 -3.922 25 1HG GLU 25 1HG GLU 25 -10.588 -2.281 -5.253 26 2HG GLU 25 2HG GLU 25 -9.416 -2.310 -6.638 27 H ALA 26 H ALA 26 -9.906 -0.068 -5.033 28 HA ALA 26 HA ALA 26 -8.850 0.706 -7.526 29 1HB ALA 26 1HB ALA 26 -11.226 1.036 -6.760 30 2HB ALA 26 2HB ALA 26 -10.651 2.429 -5.808 31 3HB ALA 26 3HB ALA 26 -10.483 2.435 -7.564 32 H VAL 27 H VAL 27 -8.492 2.190 -4.286 33 HA VAL 27 HA VAL 27 -6.726 4.358 -5.013 34 HB VAL 27 HB VAL 27 -6.714 2.653 -2.489 35 1HG1 VAL 27 1HG1 VAL 27 -5.475 4.532 -1.510 36 2HG1 VAL 27 2HG1 VAL 27 -4.547 3.796 -2.811 37 3HG1 VAL 27 3HG1 VAL 27 -5.396 5.332 -3.091 38 1HG2 VAL 27 1HG2 VAL 27 -7.915 4.548 -1.490 39 2HG2 VAL 27 2HG2 VAL 27 -7.936 5.387 -3.056 40 3HG2 VAL 27 3HG2 VAL 27 -8.855 3.885 -2.832 41 H VAL 28 H VAL 28 -5.705 0.881 -4.055 42 HA VAL 28 HA VAL 28 -3.098 1.859 -4.631 43 HB VAL 28 HB VAL 28 -4.260 -0.864 -4.179 44 1HG1 VAL 28 1HG1 VAL 28 -1.341 -0.388 -3.595 45 2HG1 VAL 28 2HG1 VAL 28 -2.204 -1.888 -3.847 46 3HG1 VAL 28 3HG1 VAL 28 -1.902 -0.836 -5.227 47 1HG2 VAL 28 1HG2 VAL 28 -2.864 -0.144 -1.876 48 2HG2 VAL 28 2HG2 VAL 28 -3.367 1.429 -2.451 49 3HG2 VAL 28 3HG2 VAL 28 -4.590 0.181 -2.152 50 H GLN 29 H GLN 29 -5.347 0.045 -6.465 51 HA GLN 29 HA GLN 29 -3.904 -0.462 -8.856 52 1HB GLN 29 1HB GLN 29 -6.868 -0.195 -8.173 53 2HB GLN 29 2HB GLN 29 -6.335 -0.741 -9.732 54 1HG GLN 29 1HG GLN 29 -5.739 -2.131 -7.100 55 2HG GLN 29 2HG GLN 29 -6.900 -2.636 -8.331 56 1HE2 GLN 29 1HE2 GLN 29 -4.453 -4.037 -7.210 57 2HE2 GLN 29 2HE2 GLN 29 -3.399 -4.286 -8.598 58 H GLN 30 H GLN 30 -4.664 2.558 -7.567 59 HA GLN 30 HA GLN 30 -4.106 3.746 -10.258 60 1HB GLN 30 1HB GLN 30 -6.377 4.212 -9.109 61 2HB GLN 30 2HB GLN 30 -5.455 5.167 -7.943 62 1HG GLN 30 1HG GLN 30 -4.531 6.508 -9.895 63 2HG GLN 30 2HG GLN 30 -5.592 5.582 -10.967 64 1HE2 GLN 30 1HE2 GLN 30 -8.009 5.548 -10.175 65 2HE2 GLN 30 2HE2 GLN 30 -8.623 7.106 -9.649 66 H LYS 31 H LYS 31 -3.287 3.718 -6.798 67 HA LYS 31 HA LYS 31 -1.634 6.135 -7.070 68 1HB LYS 31 1HB LYS 31 -3.536 5.157 -5.172 69 2HB LYS 31 2HB LYS 31 -2.025 5.049 -4.363 70 1HG LYS 31 1HG LYS 31 -2.709 7.169 -3.807 71 2HG LYS 31 2HG LYS 31 -1.757 7.586 -5.243 72 1HD LYS 31 1HD LYS 31 -3.894 7.483 -6.599 73 2HD LYS 31 2HD LYS 31 -4.762 7.008 -5.124 74 1HE LYS 31 1HE LYS 31 -3.744 9.256 -4.133 75 2HE LYS 31 2HE LYS 31 -3.615 9.708 -5.843 76 1HZ LYS 31 1HZ LYS 31 -5.703 10.392 -4.907 77 2HZ LYS 31 2HZ LYS 31 -6.043 9.156 -5.955 78 3HZ LYS 31 3HZ LYS 31 -6.004 8.906 -4.317 79 H CYS 32 H CYS 32 -1.287 2.676 -6.579 80 HA CYS 32 HA CYS 32 1.505 3.048 -5.561 81 1HB CYS 32 1HB CYS 32 -0.198 0.644 -5.157 82 2HB CYS 32 2HB CYS 32 1.185 1.135 -4.202 83 H ILE 33 H ILE 33 -0.620 1.079 -7.650 84 HA ILE 33 HA ILE 33 1.280 -0.724 -8.619 85 HB ILE 33 HB ILE 33 -0.027 -0.796 -10.698 86 1HG1 ILE 33 1HG1 ILE 33 -1.917 1.273 -9.533 87 2HG1 ILE 33 2HG1 ILE 33 -0.671 1.682 -10.715 88 1HG2 ILE 33 1HG2 ILE 33 -2.054 -1.710 -9.652 89 2HG2 ILE 33 2HG2 ILE 33 -0.599 -2.136 -8.755 90 3HG2 ILE 33 3HG2 ILE 33 -1.667 -0.871 -8.137 91 1HD1 ILE 33 1HD1 ILE 33 -1.562 0.010 -12.301 92 2HD1 ILE 33 2HD1 ILE 33 -2.915 -0.300 -11.194 93 3HD1 ILE 33 3HD1 ILE 33 -2.701 1.307 -11.914 94 H SER 34 H SER 34 0.949 2.685 -9.367 95 HA SER 34 HA SER 34 2.402 3.297 -11.509 96 1HB SER 34 1HB SER 34 2.983 4.554 -8.820 97 2HB SER 34 2HB SER 34 2.737 5.352 -10.382 98 HG SER 34 HG SER 34 0.513 4.843 -10.193 99 H CYS 35 H CYS 35 3.781 2.077 -8.421 100 HA CYS 35 HA CYS 35 6.406 1.732 -9.820 101 1HB CYS 35 1HB CYS 35 6.206 2.179 -6.833 102 2HB CYS 35 2HB CYS 35 7.616 2.248 -7.874 103 H HIS 36 H HIS 36 4.031 0.397 -7.508 104 HA HIS 36 HA HIS 36 5.592 -2.025 -7.082 105 1HB HIS 36 1HB HIS 36 2.854 -1.088 -6.223 106 2HB HIS 36 2HB HIS 36 3.524 -2.671 -5.789 107 HD1 HIS 36 1HD HIS 36 5.744 -2.668 -4.189 108 HD2 HIS 36 2HD HIS 36 3.703 0.996 -4.744 109 HE1 HIS 36 1HE HIS 36 6.468 -1.110 -2.306 110 H GLY 37 H GLY 37 3.685 -1.137 -9.745 111 1HA GLY 37 1HA GLY 37 4.066 -2.540 -11.587 112 2HA GLY 37 2HA GLY 37 3.846 -3.990 -10.621 113 H GLY 38 H GLY 38 1.650 -4.472 -9.891 114 1HA GLY 38 1HA GLY 38 -0.663 -3.178 -11.141 115 2HA GLY 38 2HA GLY 38 -0.162 -4.664 -11.961 116 H ASP 39 H ASP 39 0.263 -6.582 -10.397 117 HA ASP 39 HA ASP 39 -1.996 -6.859 -8.562 118 1HB ASP 39 1HB ASP 39 -0.499 -8.640 -10.149 119 2HB ASP 39 2HB ASP 39 -0.034 -9.030 -8.493 120 H LEU 40 H LEU 40 0.764 -5.229 -8.207 121 HA LEU 40 HA LEU 40 2.095 -4.513 -6.583 122 1HB LEU 40 1HB LEU 40 0.313 -5.900 -4.539 123 2HB LEU 40 2HB LEU 40 1.553 -4.684 -4.281 124 HG LEU 40 HG LEU 40 -0.387 -3.469 -4.123 125 1HD1 LEU 40 1HD1 LEU 40 -0.476 -1.989 -6.147 126 2HD1 LEU 40 2HD1 LEU 40 1.152 -2.310 -5.560 127 3HD1 LEU 40 3HD1 LEU 40 0.518 -3.113 -7.020 128 1HD2 LEU 40 1HD2 LEU 40 -1.948 -5.160 -4.919 129 2HD2 LEU 40 2HD2 LEU 40 -2.309 -3.518 -5.487 130 3HD2 LEU 40 3HD2 LEU 40 -1.606 -4.677 -6.602 131 H THR 41 H THR 41 2.352 -7.113 -7.967 132 HA THR 41 HA THR 41 3.985 -8.807 -6.346 133 HB THR 41 HB THR 41 4.503 -9.488 -8.893 134 HG1 THR 41 1HG THR 41 2.738 -8.794 -10.193 135 1HG2 THR 41 1HG2 THR 41 1.816 -9.771 -7.466 136 2HG2 THR 41 2HG2 THR 41 2.285 -10.716 -8.897 137 3HG2 THR 41 3HG2 THR 41 3.192 -10.877 -7.382 138 H GLY 42 H GLY 42 4.577 -5.616 -7.640 139 1HA GLY 42 1HA GLY 42 6.467 -4.534 -7.003 140 2HA GLY 42 2HA GLY 42 7.452 -6.006 -7.047 141 H ALA 43 H ALA 43 7.867 -3.484 -8.343 142 HA ALA 43 HA ALA 43 8.663 -4.495 -10.948 143 1HB ALA 43 1HB ALA 43 6.587 -2.260 -10.912 144 2HB ALA 43 2HB ALA 43 7.572 -2.722 -12.318 145 3HB ALA 43 3HB ALA 43 6.424 -3.875 -11.618 146 H SER 44 H SER 44 8.070 -1.083 -10.025 147 HA SER 44 HA SER 44 11.006 -0.569 -10.021 148 1HB SER 44 1HB SER 44 8.698 1.396 -9.845 149 2HB SER 44 2HB SER 44 10.402 1.751 -10.157 150 HG SER 44 HG SER 44 10.109 0.334 -12.068 151 H ALA 45 H ALA 45 8.687 -1.610 -7.914 152 HA ALA 45 HA ALA 45 10.094 -0.686 -5.495 153 1HB ALA 45 1HB ALA 45 7.080 -0.609 -5.997 154 2HB ALA 45 2HB ALA 45 7.897 -0.218 -4.474 155 3HB ALA 45 3HB ALA 45 8.124 0.811 -5.896 156 HA PRO 46 HA PRO 46 9.807 -5.005 -4.847 157 1HB PRO 46 1HB PRO 46 9.431 -5.335 -2.126 158 2HB PRO 46 2HB PRO 46 10.949 -4.734 -2.852 159 1HG PRO 46 1HG PRO 46 8.657 -3.092 -1.741 160 2HG PRO 46 2HG PRO 46 10.396 -2.955 -1.337 161 1HD PRO 46 1HD PRO 46 9.275 -1.325 -3.169 162 2HD PRO 46 2HD PRO 46 10.884 -2.023 -3.503 163 H ALA 47 H ALA 47 8.469 -6.824 -4.060 164 HA ALA 47 HA ALA 47 5.730 -6.551 -4.792 165 1HB ALA 47 1HB ALA 47 7.061 -8.668 -5.011 166 2HB ALA 47 2HB ALA 47 7.097 -8.801 -3.246 167 3HB ALA 47 3HB ALA 47 5.547 -8.889 -4.107 168 H ILE 48 H ILE 48 4.223 -5.569 -3.552 169 HA ILE 48 HA ILE 48 4.377 -5.949 -0.588 170 HB ILE 48 HB ILE 48 3.216 -3.889 -0.180 171 1HG1 ILE 48 1HG1 ILE 48 3.350 -2.114 -2.063 172 2HG1 ILE 48 2HG1 ILE 48 3.381 -3.470 -3.168 173 1HG2 ILE 48 1HG2 ILE 48 5.774 -3.571 -1.790 174 2HG2 ILE 48 2HG2 ILE 48 5.132 -2.438 -0.593 175 3HG2 ILE 48 3HG2 ILE 48 5.653 -4.050 -0.087 176 1HD1 ILE 48 1HD1 ILE 48 1.273 -2.778 -1.027 177 2HD1 ILE 48 2HD1 ILE 48 1.112 -2.466 -2.759 178 3HD1 ILE 48 3HD1 ILE 48 1.110 -4.138 -2.148 179 H ASP 49 H ASP 49 2.803 -6.974 -3.323 180 HA ASP 49 HA ASP 49 0.251 -7.650 -2.719 181 1HB ASP 49 1HB ASP 49 1.152 -8.714 -4.588 182 2HB ASP 49 2HB ASP 49 2.660 -9.126 -3.767 183 H LYS 50 H LYS 50 3.127 -9.058 -1.222 184 HA LYS 50 HA LYS 50 1.550 -10.724 0.596 185 1HB LYS 50 1HB LYS 50 3.514 -11.386 -0.874 186 2HB LYS 50 2HB LYS 50 4.576 -10.546 0.247 187 1HG LYS 50 1HG LYS 50 2.663 -12.612 1.361 188 2HG LYS 50 2HG LYS 50 3.935 -13.191 0.281 189 1HD LYS 50 1HD LYS 50 5.658 -12.022 1.686 190 2HD LYS 50 2HD LYS 50 4.382 -11.598 2.826 191 1HE LYS 50 1HE LYS 50 3.900 -14.227 2.802 192 2HE LYS 50 2HE LYS 50 5.549 -14.304 2.160 193 1HZ LYS 50 1HZ LYS 50 5.744 -14.455 4.475 194 2HZ LYS 50 2HZ LYS 50 6.117 -12.866 4.160 195 3HZ LYS 50 3HZ LYS 50 4.652 -13.253 4.753 196 H ALA 51 H ALA 51 2.397 -7.547 0.749 197 HA ALA 51 HA ALA 51 3.936 -7.261 3.077 198 1HB ALA 51 1HB ALA 51 3.651 -5.474 1.496 199 2HB ALA 51 2HB ALA 51 1.919 -5.339 1.885 200 3HB ALA 51 3HB ALA 51 3.133 -4.943 3.108 201 H GLY 52 H GLY 52 0.341 -7.677 2.749 202 1HA GLY 52 1HA GLY 52 -0.258 -7.107 5.462 203 2HA GLY 52 2HA GLY 52 -1.156 -8.206 4.401 204 H ALA 53 H ALA 53 1.079 -10.061 3.938 205 HA ALA 53 HA ALA 53 0.931 -11.591 6.435 206 1HB ALA 53 1HB ALA 53 2.189 -13.285 5.226 207 2HB ALA 53 2HB ALA 53 0.794 -12.724 4.292 208 3HB ALA 53 3HB ALA 53 2.420 -12.170 3.861 209 H ASN 54 H ASN 54 3.435 -9.671 4.749 210 HA ASN 54 HA ASN 54 5.551 -10.504 6.612 211 1HB ASN 54 1HB ASN 54 5.377 -8.211 4.617 212 2HB ASN 54 2HB ASN 54 6.778 -8.511 5.646 213 1HD2 ASN 54 1HD2 ASN 54 7.169 -8.450 2.951 214 2HD2 ASN 54 2HD2 ASN 54 7.556 -10.061 2.393 215 H TYR 55 H TYR 55 3.243 -7.836 6.472 216 HA TYR 55 HA TYR 55 4.343 -6.605 8.962 217 1HB TYR 55 1HB TYR 55 3.429 -5.037 6.540 218 2HB TYR 55 2HB TYR 55 4.264 -4.436 7.968 219 HD1 TYR 55 1HD TYR 55 4.786 -4.490 4.714 220 HD2 TYR 55 2HD TYR 55 6.635 -6.119 8.249 221 HE1 TYR 55 1HE TYR 55 6.951 -4.623 3.520 222 HE2 TYR 55 2HE TYR 55 8.788 -6.288 7.035 223 HH TYR 55 HH TYR 55 9.266 -5.022 3.748 224 H SER 56 H SER 56 2.627 -4.851 9.680 225 HA SER 56 HA SER 56 -0.078 -6.131 9.459 226 1HB SER 56 1HB SER 56 0.895 -6.285 11.682 227 2HB SER 56 2HB SER 56 1.187 -4.547 11.715 228 HG SER 56 HG SER 56 -0.691 -4.727 12.707 229 H GLU 57 H GLU 57 -1.836 -4.472 9.970 230 HA GLU 57 HA GLU 57 -1.938 -2.686 7.741 231 1HB GLU 57 1HB GLU 57 -4.057 -1.850 8.751 232 2HB GLU 57 2HB GLU 57 -4.004 -3.566 8.464 233 1HG GLU 57 1HG GLU 57 -4.790 -3.803 10.534 234 2HG GLU 57 2HG GLU 57 -3.168 -3.460 11.133 235 H GLU 58 H GLU 58 -1.667 -1.906 11.252 236 HA GLU 58 HA GLU 58 -1.075 0.692 11.266 237 1HB GLU 58 1HB GLU 58 0.305 0.243 13.274 238 2HB GLU 58 2HB GLU 58 -1.173 -0.717 13.208 239 1HG GLU 58 1HG GLU 58 0.446 -2.521 12.073 240 2HG GLU 58 2HG GLU 58 1.684 -1.616 12.963 241 H GLU 59 H GLU 59 1.538 -1.713 10.637 242 HA GLU 59 HA GLU 59 3.644 0.093 10.166 243 1HB GLU 59 1HB GLU 59 3.094 -2.631 8.899 244 2HB GLU 59 2HB GLU 59 4.651 -1.806 8.871 245 1HG GLU 59 1HG GLU 59 3.291 -2.600 11.487 246 2HG GLU 59 2HG GLU 59 4.405 -3.642 10.596 247 H ILE 60 H ILE 60 1.349 -1.411 7.900 248 HA ILE 60 HA ILE 60 2.542 -0.332 5.517 249 HB ILE 60 HB ILE 60 -0.191 -1.509 6.098 250 1HG1 ILE 60 1HG1 ILE 60 2.181 -2.720 4.619 251 2HG1 ILE 60 2HG1 ILE 60 1.916 -2.944 6.349 252 1HG2 ILE 60 1HG2 ILE 60 -0.350 -1.825 3.593 253 2HG2 ILE 60 2HG2 ILE 60 -0.474 -0.164 4.152 254 3HG2 ILE 60 3HG2 ILE 60 1.048 -0.741 3.428 255 1HD1 ILE 60 1HD1 ILE 60 1.042 -4.869 5.343 256 2HD1 ILE 60 2HD1 ILE 60 -0.368 -3.906 5.812 257 3HD1 ILE 60 3HD1 ILE 60 0.160 -3.961 4.109 258 H LEU 61 H LEU 61 -0.240 0.613 7.483 259 HA LEU 61 HA LEU 61 -1.192 2.879 6.161 260 1HB LEU 61 1HB LEU 61 -2.221 1.723 8.072 261 2HB LEU 61 2HB LEU 61 -0.967 2.272 9.150 262 HG LEU 61 HG LEU 61 -1.665 4.561 9.007 263 1HD1 LEU 61 1HD1 LEU 61 -3.609 3.574 6.886 264 2HD1 LEU 61 2HD1 LEU 61 -3.761 5.152 7.693 265 3HD1 LEU 61 3HD1 LEU 61 -2.334 4.801 6.709 266 1HD2 LEU 61 1HD2 LEU 61 -2.860 3.049 10.569 267 2HD2 LEU 61 2HD2 LEU 61 -3.909 4.358 9.993 268 3HD2 LEU 61 3HD2 LEU 61 -4.080 2.723 9.319 269 H ASP 62 H ASP 62 1.260 2.648 8.804 270 HA ASP 62 HA ASP 62 1.859 5.429 8.796 271 1HB ASP 62 1HB ASP 62 2.556 3.900 10.614 272 2HB ASP 62 2HB ASP 62 3.739 3.149 9.525 273 H ILE 63 H ILE 63 3.286 2.691 6.990 274 HA ILE 63 HA ILE 63 5.395 4.228 5.785 275 HB ILE 63 HB ILE 63 4.070 1.568 5.282 276 1HG1 ILE 63 1HG1 ILE 63 7.012 2.289 5.528 277 2HG1 ILE 63 2HG1 ILE 63 5.962 2.096 6.941 278 1HG2 ILE 63 1HG2 ILE 63 4.267 2.241 3.003 279 2HG2 ILE 63 2HG2 ILE 63 5.906 2.904 3.261 280 3HG2 ILE 63 3HG2 ILE 63 5.608 1.161 3.342 281 1HD1 ILE 63 1HD1 ILE 63 6.534 -0.084 4.890 282 2HD1 ILE 63 2HD1 ILE 63 7.163 0.031 6.536 283 3HD1 ILE 63 3HD1 ILE 63 5.427 -0.220 6.275 284 H ILE 64 H ILE 64 2.049 3.573 4.683 285 HA ILE 64 HA ILE 64 2.304 4.934 2.173 286 HB ILE 64 HB ILE 64 -0.069 4.467 4.010 287 1HG1 ILE 64 1HG1 ILE 64 0.535 3.097 1.374 288 2HG1 ILE 64 2HG1 ILE 64 1.311 2.524 2.851 289 1HG2 ILE 64 1HG2 ILE 64 -0.664 6.332 2.597 290 2HG2 ILE 64 2HG2 ILE 64 0.023 5.544 1.164 291 3HG2 ILE 64 3HG2 ILE 64 -1.446 4.903 1.928 292 1HD1 ILE 64 1HD1 ILE 64 -1.691 2.752 2.457 293 2HD1 ILE 64 2HD1 ILE 64 -0.708 1.272 2.488 294 3HD1 ILE 64 3HD1 ILE 64 -0.884 2.248 3.950 295 H LEU 65 H LEU 65 1.233 6.059 5.403 296 HA LEU 65 HA LEU 65 0.736 8.755 4.611 297 1HB LEU 65 1HB LEU 65 1.385 7.489 7.285 298 2HB LEU 65 2HB LEU 65 0.880 9.168 7.105 299 HG LEU 65 HG LEU 65 -0.908 6.893 6.098 300 1HD1 LEU 65 1HD1 LEU 65 -2.073 7.053 8.271 301 2HD1 LEU 65 2HD1 LEU 65 -0.399 6.519 8.512 302 3HD1 LEU 65 3HD1 LEU 65 -0.851 8.197 8.863 303 1HD2 LEU 65 1HD2 LEU 65 -1.451 9.759 6.968 304 2HD2 LEU 65 2HD2 LEU 65 -1.387 9.139 5.305 305 3HD2 LEU 65 3HD2 LEU 65 -2.649 8.567 6.414 306 H ASN 66 H ASN 66 3.677 7.121 5.634 307 HA ASN 66 HA ASN 66 5.166 9.647 6.066 308 1HB ASN 66 1HB ASN 66 5.667 6.731 6.794 309 2HB ASN 66 2HB ASN 66 6.904 7.940 6.922 310 1HD2 ASN 66 1HD2 ASN 66 3.629 7.222 7.957 311 2HD2 ASN 66 2HD2 ASN 66 3.914 7.606 9.614 312 H GLY 67 H GLY 67 5.754 6.474 4.430 313 1HA GLY 67 1HA GLY 67 6.668 6.765 2.061 314 2HA GLY 67 2HA GLY 67 7.978 7.657 2.861 315 H GLN 68 H GLN 68 9.066 5.803 1.684 316 HA GLN 68 HA GLN 68 10.155 4.092 3.678 317 1HB GLN 68 1HB GLN 68 8.459 2.358 2.704 318 2HB GLN 68 2HB GLN 68 9.016 2.841 1.118 319 1HG GLN 68 1HG GLN 68 9.836 0.696 1.928 320 2HG GLN 68 2HG GLN 68 11.145 1.789 1.479 321 1HE2 GLN 68 1HE2 GLN 68 10.577 -0.665 3.421 322 2HE2 GLN 68 2HE2 GLN 68 11.470 -0.137 4.839 323 H GLY 69 H GLY 69 12.323 3.370 2.719 324 1HA GLY 69 1HA GLY 69 14.230 4.584 1.818 325 2HA GLY 69 2HA GLY 69 13.757 3.295 0.712 326 H GLY 70 H GLY 70 13.021 3.867 -1.438 327 1HA GLY 70 1HA GLY 70 13.292 6.726 -2.207 328 2HA GLY 70 2HA GLY 70 13.322 5.294 -3.237 329 H MET 71 H MET 71 10.820 5.617 -0.817 330 HA MET 71 HA MET 71 8.737 5.965 -2.907 331 1HB MET 71 1HB MET 71 8.686 3.930 -1.553 332 2HB MET 71 2HB MET 71 8.654 4.861 -0.087 333 1HG MET 71 1HG MET 71 6.520 5.778 -0.524 334 2HG MET 71 2HG MET 71 6.416 5.047 -2.126 335 1HE MET 71 1HE MET 71 3.973 3.358 0.795 336 2HE MET 71 2HE MET 71 4.765 4.929 1.028 337 3HE MET 71 3HE MET 71 3.951 4.555 -0.514 338 HA PRO 72 HA PRO 72 8.871 10.091 -1.226 339 1HB PRO 72 1HB PRO 72 6.613 11.225 -2.360 340 2HB PRO 72 2HB PRO 72 8.130 10.893 -3.241 341 1HG PRO 72 1HG PRO 72 5.645 9.180 -3.130 342 2HG PRO 72 2HG PRO 72 6.591 9.642 -4.572 343 1HD PRO 72 1HD PRO 72 6.945 7.238 -3.385 344 2HD PRO 72 2HD PRO 72 8.366 8.149 -3.993 345 H GLY 73 H GLY 73 5.824 8.298 -0.924 346 1HA GLY 73 1HA GLY 73 4.624 7.897 1.018 347 2HA GLY 73 2HA GLY 73 5.686 9.004 1.897 348 H GLY 74 H GLY 74 3.009 8.973 2.329 349 1HA GLY 74 1HA GLY 74 1.207 10.353 2.574 350 2HA GLY 74 2HA GLY 74 2.178 11.713 1.950 351 H ILE 75 H ILE 75 1.811 8.737 0.174 352 HA ILE 75 HA ILE 75 0.834 10.029 -2.200 353 HB ILE 75 HB ILE 75 1.252 7.152 -1.328 354 1HG1 ILE 75 1HG1 ILE 75 2.896 8.459 -3.472 355 2HG1 ILE 75 2HG1 ILE 75 3.166 9.064 -1.839 356 1HG2 ILE 75 1HG2 ILE 75 -0.371 6.997 -3.091 357 2HG2 ILE 75 2HG2 ILE 75 0.502 8.188 -4.086 358 3HG2 ILE 75 3HG2 ILE 75 1.200 6.587 -3.781 359 1HD1 ILE 75 1HD1 ILE 75 3.663 6.862 -0.992 360 2HD1 ILE 75 2HD1 ILE 75 3.234 6.123 -2.544 361 3HD1 ILE 75 3HD1 ILE 75 4.668 7.151 -2.428 362 H ALA 76 H ALA 76 -0.685 8.475 0.556 363 HA ALA 76 HA ALA 76 -3.322 9.274 -0.376 364 1HB ALA 76 1HB ALA 76 -4.197 6.991 0.423 365 2HB ALA 76 2HB ALA 76 -3.326 6.945 -1.122 366 3HB ALA 76 3HB ALA 76 -2.533 6.409 0.375 367 H LYS 77 H LYS 77 -4.568 9.834 1.584 368 HA LYS 77 HA LYS 77 -3.264 9.304 4.163 369 1HB LYS 77 1HB LYS 77 -3.957 12.079 3.079 370 2HB LYS 77 2HB LYS 77 -3.661 11.693 4.766 371 1HG LYS 77 1HG LYS 77 -1.428 10.594 3.665 372 2HG LYS 77 2HG LYS 77 -1.712 11.869 2.493 373 1HD LYS 77 1HD LYS 77 -1.532 13.555 4.280 374 2HD LYS 77 2HD LYS 77 -1.546 12.281 5.525 375 1HE LYS 77 1HE LYS 77 0.552 11.315 4.532 376 2HE LYS 77 2HE LYS 77 0.620 12.691 3.408 377 1HZ LYS 77 1HZ LYS 77 0.771 12.839 6.350 378 2HZ LYS 77 2HZ LYS 77 2.044 12.888 5.321 379 3HZ LYS 77 3HZ LYS 77 0.934 14.110 5.306 380 H GLY 78 H GLY 78 -4.603 9.889 5.992 381 1HA GLY 78 1HA GLY 78 -6.457 9.337 7.200 382 2HA GLY 78 2HA GLY 78 -7.334 10.345 6.033 383 H ALA 79 H ALA 79 -9.130 9.141 5.678 384 HA ALA 79 HA ALA 79 -9.643 6.510 5.663 385 1HB ALA 79 1HB ALA 79 -11.468 6.947 4.075 386 2HB ALA 79 2HB ALA 79 -11.338 8.234 5.290 387 3HB ALA 79 3HB ALA 79 -10.732 8.503 3.637 388 H GLU 80 H GLU 80 -7.977 8.219 2.999 389 HA GLU 80 HA GLU 80 -8.195 6.095 1.086 390 1HB GLU 80 1HB GLU 80 -7.622 8.628 0.789 391 2HB GLU 80 2HB GLU 80 -5.972 8.149 1.157 392 1HG GLU 80 1HG GLU 80 -6.105 6.531 -0.779 393 2HG GLU 80 2HG GLU 80 -7.755 7.091 -1.090 394 H ALA 81 H ALA 81 -5.607 7.011 3.478 395 HA ALA 81 HA ALA 81 -3.900 4.801 2.714 396 1HB ALA 81 1HB ALA 81 -3.063 6.922 3.699 397 2HB ALA 81 2HB ALA 81 -3.861 6.512 5.232 398 3HB ALA 81 3HB ALA 81 -2.552 5.487 4.588 399 H GLU 82 H GLU 82 -6.280 5.435 5.329 400 HA GLU 82 HA GLU 82 -5.925 3.074 6.848 401 1HB GLU 82 1HB GLU 82 -8.432 4.687 6.242 402 2HB GLU 82 2HB GLU 82 -8.317 3.465 7.503 403 1HG GLU 82 1HG GLU 82 -6.755 4.735 8.773 404 2HG GLU 82 2HG GLU 82 -6.431 5.859 7.452 405 H ALA 83 H ALA 83 -8.172 3.710 4.123 406 HA ALA 83 HA ALA 83 -9.322 1.170 3.889 407 1HB ALA 83 1HB ALA 83 -8.689 3.194 1.692 408 2HB ALA 83 2HB ALA 83 -9.825 1.840 1.557 409 3HB ALA 83 3HB ALA 83 -10.154 3.146 2.700 410 H VAL 84 H VAL 84 -6.406 2.473 2.169 411 HA VAL 84 HA VAL 84 -5.662 0.087 0.869 412 HB VAL 84 HB VAL 84 -3.848 2.199 2.115 413 1HG1 VAL 84 1HG1 VAL 84 -2.148 1.218 0.590 414 2HG1 VAL 84 2HG1 VAL 84 -2.559 0.133 1.903 415 3HG1 VAL 84 3HG1 VAL 84 -3.232 -0.160 0.295 416 1HG2 VAL 84 1HG2 VAL 84 -4.952 1.810 -0.672 417 2HG2 VAL 84 2HG2 VAL 84 -4.991 3.250 0.345 418 3HG2 VAL 84 3HG2 VAL 84 -3.458 2.730 -0.353 419 H ALA 85 H ALA 85 -4.468 1.214 4.079 420 HA ALA 85 HA ALA 85 -2.804 -0.931 4.648 421 1HB ALA 85 1HB ALA 85 -3.050 -0.258 6.994 422 2HB ALA 85 2HB ALA 85 -2.890 1.148 5.918 423 3HB ALA 85 3HB ALA 85 -4.476 0.720 6.594 424 H ALA 86 H ALA 86 -6.272 -0.605 5.570 425 HA ALA 86 HA ALA 86 -6.529 -3.127 6.844 426 1HB ALA 86 1HB ALA 86 -8.591 -1.502 5.288 427 2HB ALA 86 2HB ALA 86 -8.950 -2.848 6.392 428 3HB ALA 86 3HB ALA 86 -8.211 -1.358 7.017 429 H TRP 87 H TRP 87 -7.393 -2.240 3.461 430 HA TRP 87 HA TRP 87 -8.153 -4.815 2.575 431 1HB TRP 87 1HB TRP 87 -8.747 -2.838 1.426 432 2HB TRP 87 2HB TRP 87 -7.047 -2.346 1.286 433 HD1 TRP 87 HD TRP 87 -9.490 -4.762 -0.482 434 HE1 TRP 87 1HE TRP 87 -8.396 -5.564 -2.627 435 HE3 TRP 87 3HE TRP 87 -5.086 -2.139 -0.176 436 HZ2 TRP 87 2HZ TRP 87 -5.048 -5.214 -3.128 437 HZ3 TRP 87 3HZ TRP 87 -3.677 -2.029 -2.198 438 HH2 TRP 87 HH TRP 87 -4.228 -3.268 -4.225 439 H LEU 88 H LEU 88 -4.950 -3.295 2.697 440 HA LEU 88 HA LEU 88 -3.663 -5.452 1.258 441 1HB LEU 88 1HB LEU 88 -2.953 -2.831 2.003 442 2HB LEU 88 2HB LEU 88 -1.866 -3.852 2.918 443 HG LEU 88 HG LEU 88 -1.111 -3.104 0.648 444 1HD1 LEU 88 1HD1 LEU 88 -0.302 -5.281 1.788 445 2HD1 LEU 88 2HD1 LEU 88 -1.361 -6.135 0.638 446 3HD1 LEU 88 3HD1 LEU 88 -0.064 -5.081 0.035 447 1HD2 LEU 88 1HD2 LEU 88 -2.906 -2.944 -0.470 448 2HD2 LEU 88 2HD2 LEU 88 -1.772 -3.951 -1.381 449 3HD2 LEU 88 3HD2 LEU 88 -3.217 -4.699 -0.658 450 H ALA 89 H ALA 89 -3.987 -4.604 4.702 451 HA ALA 89 HA ALA 89 -2.522 -6.857 5.714 452 1HB ALA 89 1HB ALA 89 -4.716 -5.208 6.985 453 2HB ALA 89 2HB ALA 89 -3.639 -6.344 7.832 454 3HB ALA 89 3HB ALA 89 -2.954 -4.907 7.045 455 H GLU 90 H GLU 90 -5.779 -6.505 4.470 456 HA GLU 90 HA GLU 90 -6.807 -9.035 5.369 457 1HB GLU 90 1HB GLU 90 -8.053 -6.954 4.632 458 2HB GLU 90 2HB GLU 90 -7.557 -7.326 2.985 459 1HG GLU 90 1HG GLU 90 -8.736 -9.620 3.331 460 2HG GLU 90 2HG GLU 90 -9.526 -8.822 4.702 461 H LYS 91 H LYS 91 -4.582 -8.154 2.791 462 HA LYS 91 HA LYS 91 -5.806 -9.507 0.710 463 1HB LYS 91 1HB LYS 91 -4.143 -7.546 0.943 464 2HB LYS 91 2HB LYS 91 -2.860 -8.742 0.800 465 1HG LYS 91 1HG LYS 91 -5.106 -8.156 -1.206 466 2HG LYS 91 2HG LYS 91 -3.510 -7.410 -1.172 467 1HD LYS 91 1HD LYS 91 -2.849 -10.122 -1.214 468 2HD LYS 91 2HD LYS 91 -4.311 -10.065 -2.232 469 1HE LYS 91 1HE LYS 91 -2.965 -7.927 -3.213 470 2HE LYS 91 2HE LYS 91 -1.647 -8.733 -2.313 471 1HZ LYS 91 1HZ LYS 91 -1.945 -9.237 -4.824 472 2HZ LYS 91 2HZ LYS 91 -1.691 -10.473 -3.827 473 3HZ LYS 91 3HZ LYS 91 -3.223 -10.172 -4.393 474 H LYS 92 H LYS 92 -4.396 -11.329 3.021 475 HA LYS 92 HA LYS 92 -1.734 -11.379 1.706 476 1HB LYS 92 1HB LYS 92 -1.049 -11.029 3.871 477 2HB LYS 92 2HB LYS 92 -2.213 -9.838 3.237 478 1HG LYS 92 1HG LYS 92 -3.916 -10.564 4.773 479 2HG LYS 92 2HG LYS 92 -3.339 -12.219 4.786 480 1HD LYS 92 1HD LYS 92 -1.455 -11.557 6.242 481 2HD LYS 92 2HD LYS 92 -2.186 -9.928 6.349 482 1HE LYS 92 1HE LYS 92 -4.243 -10.847 7.299 483 2HE LYS 92 2HE LYS 92 -3.651 -12.500 7.105 484 1HZ LYS 92 1HZ LYS 92 -3.406 -11.613 9.346 485 2HZ LYS 92 2HZ LYS 92 -1.961 -12.060 8.693 486 3HZ LYS 92 3HZ LYS 92 -2.359 -10.465 8.793 487 HHA HEC 93 HHA HEC 93 8.631 -0.181 0.354 488 HHB HEC 93 HHB HEC 93 2.241 -0.006 0.693 489 HHC HEC 93 HHC HEC 93 2.321 4.372 -4.031 490 HHD HEC 93 HHD HEC 93 8.558 3.283 -4.972 491 1HMA HEC 93 1HMA HEC 93 3.192 -1.913 1.957 492 2HMA HEC 93 2HMA HEC 93 4.624 -2.165 2.961 493 3HMA HEC 93 3HMA HEC 93 3.635 -0.710 3.196 494 1HAA HEC 93 1HAA HEC 93 6.868 -1.749 3.112 495 2HAA HEC 93 2HAA HEC 93 7.985 -0.587 2.520 496 1HBA HEC 93 1HBA HEC 93 8.057 -2.183 0.430 497 2HBA HEC 93 2HBA HEC 93 7.292 -3.355 1.491 498 1HMB HEC 93 1HMB HEC 93 0.063 0.923 0.387 499 2HMB HEC 93 2HMB HEC 93 -0.826 1.216 -1.126 500 3HMB HEC 93 3HMB HEC 93 0.242 -0.173 -0.993 501 HAB HEC 93 HAB HEC 93 0.378 4.257 -3.297 502 1HBB HEC 93 1HBB HEC 93 -1.678 4.527 -1.974 503 2HBB HEC 93 2HBB HEC 93 -1.045 3.409 -0.756 504 3HBB HEC 93 3HBB HEC 93 -0.205 4.933 -1.077 505 1HMC HEC 93 1HMC HEC 93 3.323 6.215 -5.450 506 2HMC HEC 93 2HMC HEC 93 4.244 5.826 -6.914 507 3HMC HEC 93 3HMC HEC 93 2.978 4.741 -6.376 508 HAC HEC 93 HAC HEC 93 7.937 4.590 -6.467 509 1HBC HEC 93 1HBC HEC 93 6.073 6.921 -6.938 510 2HBC HEC 93 2HBC HEC 93 7.306 6.852 -5.671 511 3HBC HEC 93 3HBC HEC 93 7.773 6.728 -7.372 512 1HMD HEC 93 1HMD HEC 93 11.265 0.872 -4.077 513 2HMD HEC 93 2HMD HEC 93 10.184 1.807 -5.097 514 3HMD HEC 93 3HMD HEC 93 11.245 2.652 -3.944 515 1HAD HEC 93 1HAD HEC 93 10.939 -0.617 -1.323 516 2HAD HEC 93 2HAD HEC 93 10.526 0.356 -0.049 517 1HBD HEC 93 1HBD HEC 93 12.662 0.897 -0.113 518 2HBD HEC 93 2HBD HEC 93 11.754 2.303 -0.656 Start of MODEL 30 1 1H VAL 22 1H VAL 22 -14.737 4.574 -0.851 2 2H VAL 22 2H VAL 22 -13.912 4.605 0.576 3 3H VAL 22 3H VAL 22 -14.378 6.035 -0.141 4 HA VAL 22 HA VAL 22 -12.977 5.488 -2.031 5 HB VAL 22 HB VAL 22 -11.649 5.682 0.701 6 1HG1 VAL 22 1HG1 VAL 22 -9.976 4.639 -0.678 7 2HG1 VAL 22 2HG1 VAL 22 -10.391 5.662 -2.078 8 3HG1 VAL 22 3HG1 VAL 22 -9.621 6.367 -0.648 9 1HG2 VAL 22 1HG2 VAL 22 -11.995 7.671 -1.596 10 2HG2 VAL 22 2HG2 VAL 22 -12.958 7.671 -0.102 11 3HG2 VAL 22 3HG2 VAL 22 -11.219 7.996 -0.037 12 H ASP 23 H ASP 23 -12.956 3.665 -3.114 13 HA ASP 23 HA ASP 23 -12.956 1.116 -2.095 14 1HB ASP 23 1HB ASP 23 -12.268 2.172 -4.866 15 2HB ASP 23 2HB ASP 23 -12.759 0.512 -4.497 16 H ALA 24 H ALA 24 -11.303 0.445 -0.875 17 HA ALA 24 HA ALA 24 -8.787 1.347 -0.725 18 1HB ALA 24 1HB ALA 24 -9.549 -1.578 -0.347 19 2HB ALA 24 2HB ALA 24 -8.167 -0.706 0.366 20 3HB ALA 24 3HB ALA 24 -9.828 -0.306 0.853 21 H GLU 25 H GLU 25 -9.623 -1.612 -2.650 22 HA GLU 25 HA GLU 25 -7.005 -1.906 -3.625 23 1HB GLU 25 1HB GLU 25 -7.764 -3.574 -5.014 24 2HB GLU 25 2HB GLU 25 -8.999 -3.562 -3.746 25 1HG GLU 25 1HG GLU 25 -10.433 -2.176 -5.209 26 2HG GLU 25 2HG GLU 25 -9.197 -2.326 -6.521 27 H ALA 26 H ALA 26 -9.708 0.097 -4.863 28 HA ALA 26 HA ALA 26 -8.547 0.762 -7.366 29 1HB ALA 26 1HB ALA 26 -10.294 2.621 -5.750 30 2HB ALA 26 2HB ALA 26 -10.064 2.560 -7.497 31 3HB ALA 26 3HB ALA 26 -10.925 1.234 -6.688 32 H VAL 27 H VAL 27 -8.212 2.223 -4.093 33 HA VAL 27 HA VAL 27 -6.362 4.315 -4.843 34 HB VAL 27 HB VAL 27 -6.273 2.669 -2.277 35 1HG1 VAL 27 1HG1 VAL 27 -5.175 5.429 -2.933 36 2HG1 VAL 27 2HG1 VAL 27 -5.113 4.609 -1.360 37 3HG1 VAL 27 3HG1 VAL 27 -4.204 3.956 -2.719 38 1HG2 VAL 27 1HG2 VAL 27 -7.728 5.274 -2.886 39 2HG2 VAL 27 2HG2 VAL 27 -8.493 3.713 -2.516 40 3HG2 VAL 27 3HG2 VAL 27 -7.537 4.539 -1.279 41 H VAL 28 H VAL 28 -5.626 0.732 -3.951 42 HA VAL 28 HA VAL 28 -2.947 1.566 -4.242 43 HB VAL 28 HB VAL 28 -3.867 -1.282 -4.181 44 1HG1 VAL 28 1HG1 VAL 28 -1.570 0.066 -2.695 45 2HG1 VAL 28 2HG1 VAL 28 -1.820 -1.644 -2.948 46 3HG1 VAL 28 3HG1 VAL 28 -1.399 -0.646 -4.316 47 1HG2 VAL 28 1HG2 VAL 28 -5.132 -0.408 -2.363 48 2HG2 VAL 28 2HG2 VAL 28 -3.601 -0.669 -1.555 49 3HG2 VAL 28 3HG2 VAL 28 -3.985 0.936 -2.102 50 H GLN 29 H GLN 29 -5.172 -0.034 -6.278 51 HA GLN 29 HA GLN 29 -3.698 -0.529 -8.640 52 1HB GLN 29 1HB GLN 29 -6.645 -0.168 -7.991 53 2HB GLN 29 2HB GLN 29 -6.127 -0.661 -9.568 54 1HG GLN 29 1HG GLN 29 -5.497 -2.201 -7.022 55 2HG GLN 29 2HG GLN 29 -6.800 -2.567 -8.159 56 1HE2 GLN 29 1HE2 GLN 29 -4.307 -4.158 -7.342 57 2HE2 GLN 29 2HE2 GLN 29 -3.441 -4.395 -8.861 58 H GLN 30 H GLN 30 -4.419 2.554 -7.321 59 HA GLN 30 HA GLN 30 -3.603 3.621 -9.979 60 1HB GLN 30 1HB GLN 30 -6.220 3.946 -8.943 61 2HB GLN 30 2HB GLN 30 -5.414 5.486 -8.632 62 1HG GLN 30 1HG GLN 30 -4.678 5.510 -11.053 63 2HG GLN 30 2HG GLN 30 -5.578 4.002 -11.296 64 1HE2 GLN 30 1HE2 GLN 30 -5.886 7.482 -10.566 65 2HE2 GLN 30 2HE2 GLN 30 -7.588 7.574 -11.002 66 H LYS 31 H LYS 31 -2.989 3.686 -6.625 67 HA LYS 31 HA LYS 31 -1.407 6.206 -6.881 68 1HB LYS 31 1HB LYS 31 -3.319 5.208 -4.900 69 2HB LYS 31 2HB LYS 31 -1.762 5.379 -4.161 70 1HG LYS 31 1HG LYS 31 -2.989 7.403 -3.867 71 2HG LYS 31 2HG LYS 31 -1.695 7.758 -5.027 72 1HD LYS 31 1HD LYS 31 -3.252 7.591 -6.899 73 2HD LYS 31 2HD LYS 31 -4.550 7.023 -5.845 74 1HE LYS 31 1HE LYS 31 -3.295 9.630 -5.034 75 2HE LYS 31 2HE LYS 31 -4.127 9.665 -6.595 76 1HZ LYS 31 1HZ LYS 31 -5.573 10.229 -4.738 77 2HZ LYS 31 2HZ LYS 31 -6.112 8.867 -5.487 78 3HZ LYS 31 3HZ LYS 31 -5.342 8.785 -4.047 79 H CYS 32 H CYS 32 -1.143 2.738 -6.515 80 HA CYS 32 HA CYS 32 1.637 3.062 -5.476 81 1HB CYS 32 1HB CYS 32 -0.172 0.779 -5.011 82 2HB CYS 32 2HB CYS 32 1.227 1.182 -4.055 83 H ILE 33 H ILE 33 -0.510 0.899 -7.387 84 HA ILE 33 HA ILE 33 1.493 -0.802 -8.339 85 HB ILE 33 HB ILE 33 0.093 -1.241 -10.255 86 1HG1 ILE 33 1HG1 ILE 33 -1.870 0.866 -9.331 87 2HG1 ILE 33 2HG1 ILE 33 -0.687 1.172 -10.596 88 1HG2 ILE 33 1HG2 ILE 33 -1.388 -1.081 -7.612 89 2HG2 ILE 33 2HG2 ILE 33 -1.924 -2.019 -9.002 90 3HG2 ILE 33 3HG2 ILE 33 -0.385 -2.407 -8.224 91 1HD1 ILE 33 1HD1 ILE 33 -2.688 0.537 -11.703 92 2HD1 ILE 33 2HD1 ILE 33 -1.496 -0.747 -11.918 93 3HD1 ILE 33 3HD1 ILE 33 -2.829 -0.959 -10.767 94 H SER 34 H SER 34 0.982 2.559 -9.179 95 HA SER 34 HA SER 34 2.206 2.764 -11.673 96 1HB SER 34 1HB SER 34 2.832 5.085 -10.711 97 2HB SER 34 2HB SER 34 1.117 4.631 -10.772 98 HG SER 34 HG SER 34 2.807 4.506 -8.506 99 H CYS 35 H CYS 35 3.680 2.012 -8.532 100 HA CYS 35 HA CYS 35 6.268 1.680 -9.996 101 1HB CYS 35 1HB CYS 35 6.204 2.039 -6.997 102 2HB CYS 35 2HB CYS 35 7.542 2.153 -8.117 103 H HIS 36 H HIS 36 4.054 0.351 -7.476 104 HA HIS 36 HA HIS 36 5.600 -2.045 -7.190 105 1HB HIS 36 1HB HIS 36 2.799 -1.341 -6.260 106 2HB HIS 36 2HB HIS 36 3.624 -2.851 -5.902 107 HD1 HIS 36 1HD HIS 36 5.773 -2.817 -4.279 108 HD2 HIS 36 2HD HIS 36 3.709 0.843 -4.785 109 HE1 HIS 36 1HE HIS 36 6.524 -1.271 -2.412 110 H GLY 37 H GLY 37 3.532 -1.222 -9.774 111 1HA GLY 37 1HA GLY 37 4.104 -2.548 -11.670 112 2HA GLY 37 2HA GLY 37 3.782 -4.035 -10.773 113 H GLY 38 H GLY 38 1.580 -4.549 -10.284 114 1HA GLY 38 1HA GLY 38 -0.658 -3.083 -11.510 115 2HA GLY 38 2HA GLY 38 -0.189 -4.570 -12.355 116 H ASP 39 H ASP 39 0.248 -6.472 -10.755 117 HA ASP 39 HA ASP 39 -1.998 -6.752 -8.888 118 1HB ASP 39 1HB ASP 39 0.034 -8.624 -10.101 119 2HB ASP 39 2HB ASP 39 -0.852 -9.085 -8.638 120 H LEU 40 H LEU 40 0.760 -5.121 -8.496 121 HA LEU 40 HA LEU 40 1.890 -4.347 -6.662 122 1HB LEU 40 1HB LEU 40 0.217 -6.114 -4.878 123 2HB LEU 40 2HB LEU 40 1.036 -4.623 -4.488 124 HG LEU 40 HG LEU 40 -1.057 -4.398 -6.668 125 1HD1 LEU 40 1HD1 LEU 40 -1.851 -4.766 -3.765 126 2HD1 LEU 40 2HD1 LEU 40 -2.880 -4.403 -5.176 127 3HD1 LEU 40 3HD1 LEU 40 -2.100 -5.977 -5.048 128 1HD2 LEU 40 1HD2 LEU 40 -1.513 -2.352 -5.636 129 2HD2 LEU 40 2HD2 LEU 40 -0.473 -2.763 -4.246 130 3HD2 LEU 40 3HD2 LEU 40 0.253 -2.473 -5.841 131 H THR 41 H THR 41 2.449 -6.881 -8.161 132 HA THR 41 HA THR 41 3.706 -8.790 -6.465 133 HB THR 41 HB THR 41 4.378 -9.485 -8.934 134 HG1 THR 41 1HG THR 41 2.897 -8.430 -10.414 135 1HG2 THR 41 1HG2 THR 41 1.460 -9.226 -8.048 136 2HG2 THR 41 2HG2 THR 41 2.045 -10.302 -9.333 137 3HG2 THR 41 3HG2 THR 41 2.551 -10.564 -7.652 138 H GLY 42 H GLY 42 4.702 -5.695 -7.746 139 1HA GLY 42 1HA GLY 42 6.542 -4.676 -6.828 140 2HA GLY 42 2HA GLY 42 7.380 -6.217 -6.591 141 H ALA 43 H ALA 43 6.442 -3.791 -8.987 142 HA ALA 43 HA ALA 43 8.211 -4.976 -11.054 143 1HB ALA 43 1HB ALA 43 7.347 -3.155 -12.476 144 2HB ALA 43 2HB ALA 43 6.066 -4.172 -11.790 145 3HB ALA 43 3HB ALA 43 6.374 -2.559 -11.114 146 H SER 44 H SER 44 7.836 -1.562 -9.999 147 HA SER 44 HA SER 44 10.772 -1.183 -10.264 148 1HB SER 44 1HB SER 44 9.093 0.316 -11.473 149 2HB SER 44 2HB SER 44 8.633 0.931 -9.873 150 HG SER 44 HG SER 44 10.943 1.339 -9.583 151 H ALA 45 H ALA 45 8.820 -2.227 -7.884 152 HA ALA 45 HA ALA 45 10.266 -1.048 -5.627 153 1HB ALA 45 1HB ALA 45 8.293 0.446 -6.011 154 2HB ALA 45 2HB ALA 45 7.234 -0.965 -6.022 155 3HB ALA 45 3HB ALA 45 8.082 -0.513 -4.535 156 HA PRO 46 HA PRO 46 9.813 -5.322 -4.575 157 1HB PRO 46 1HB PRO 46 9.392 -5.408 -1.838 158 2HB PRO 46 2HB PRO 46 10.954 -4.995 -2.603 159 1HG PRO 46 1HG PRO 46 8.816 -3.096 -1.627 160 2HG PRO 46 2HG PRO 46 10.567 -3.056 -1.259 161 1HD PRO 46 1HD PRO 46 9.500 -1.502 -3.201 162 2HD PRO 46 2HD PRO 46 11.069 -2.303 -3.487 163 H ALA 47 H ALA 47 8.353 -6.997 -3.731 164 HA ALA 47 HA ALA 47 5.691 -6.609 -4.679 165 1HB ALA 47 1HB ALA 47 5.377 -8.933 -4.020 166 2HB ALA 47 2HB ALA 47 6.996 -8.771 -4.733 167 3HB ALA 47 3HB ALA 47 6.815 -8.883 -2.979 168 H ILE 48 H ILE 48 4.007 -5.703 -3.594 169 HA ILE 48 HA ILE 48 3.958 -6.012 -0.627 170 HB ILE 48 HB ILE 48 2.751 -3.928 -0.354 171 1HG1 ILE 48 1HG1 ILE 48 3.435 -2.180 -2.249 172 2HG1 ILE 48 2HG1 ILE 48 3.250 -3.565 -3.315 173 1HG2 ILE 48 1HG2 ILE 48 5.461 -3.643 -1.630 174 2HG2 ILE 48 2HG2 ILE 48 4.673 -2.560 -0.453 175 3HG2 ILE 48 3HG2 ILE 48 5.142 -4.190 0.045 176 1HD1 ILE 48 1HD1 ILE 48 1.246 -2.410 -1.299 177 2HD1 ILE 48 2HD1 ILE 48 1.216 -2.130 -3.040 178 3HD1 ILE 48 3HD1 ILE 48 0.885 -3.769 -2.394 179 H ASP 49 H ASP 49 2.479 -7.057 -3.436 180 HA ASP 49 HA ASP 49 -0.115 -7.515 -2.526 181 1HB ASP 49 1HB ASP 49 -0.028 -8.456 -4.524 182 2HB ASP 49 2HB ASP 49 1.707 -8.742 -4.462 183 H LYS 50 H LYS 50 2.862 -8.912 -1.238 184 HA LYS 50 HA LYS 50 1.276 -10.518 0.730 185 1HB LYS 50 1HB LYS 50 3.960 -10.934 -0.527 186 2HB LYS 50 2HB LYS 50 3.824 -11.328 1.184 187 1HG LYS 50 1HG LYS 50 3.307 -13.329 -0.009 188 2HG LYS 50 2HG LYS 50 1.811 -12.732 0.728 189 1HD LYS 50 1HD LYS 50 1.413 -11.523 -1.510 190 2HD LYS 50 2HD LYS 50 2.717 -12.498 -2.179 191 1HE LYS 50 1HE LYS 50 1.329 -14.509 -1.770 192 2HE LYS 50 2HE LYS 50 0.114 -13.525 -0.917 193 1HZ LYS 50 1HZ LYS 50 0.897 -12.821 -3.650 194 2HZ LYS 50 2HZ LYS 50 -0.331 -13.943 -3.381 195 3HZ LYS 50 3HZ LYS 50 -0.378 -12.356 -2.879 196 H ALA 51 H ALA 51 2.275 -7.442 0.624 197 HA ALA 51 HA ALA 51 3.889 -7.196 2.949 198 1HB ALA 51 1HB ALA 51 3.070 -4.868 3.073 199 2HB ALA 51 2HB ALA 51 3.703 -5.329 1.487 200 3HB ALA 51 3HB ALA 51 1.948 -5.216 1.747 201 H GLY 52 H GLY 52 0.210 -7.456 2.656 202 1HA GLY 52 1HA GLY 52 -0.280 -7.017 5.375 203 2HA GLY 52 2HA GLY 52 -1.212 -8.068 4.282 204 H ALA 53 H ALA 53 1.252 -9.833 3.858 205 HA ALA 53 HA ALA 53 0.790 -11.587 6.173 206 1HB ALA 53 1HB ALA 53 2.109 -13.194 4.959 207 2HB ALA 53 2HB ALA 53 0.944 -12.479 3.828 208 3HB ALA 53 3HB ALA 53 2.646 -11.982 3.789 209 H ASN 54 H ASN 54 3.458 -9.753 4.658 210 HA ASN 54 HA ASN 54 5.423 -10.625 6.617 211 1HB ASN 54 1HB ASN 54 5.465 -8.370 4.569 212 2HB ASN 54 2HB ASN 54 6.851 -8.848 5.558 213 1HD2 ASN 54 1HD2 ASN 54 6.705 -8.882 2.634 214 2HD2 ASN 54 2HD2 ASN 54 6.983 -10.556 2.185 215 H TYR 55 H TYR 55 3.511 -7.668 6.205 216 HA TYR 55 HA TYR 55 4.519 -6.544 8.767 217 1HB TYR 55 1HB TYR 55 3.813 -5.095 6.177 218 2HB TYR 55 2HB TYR 55 4.327 -4.331 7.676 219 HD1 TYR 55 1HD TYR 55 5.500 -4.290 4.700 220 HD2 TYR 55 2HD TYR 55 6.674 -6.007 8.481 221 HE1 TYR 55 1HE TYR 55 7.892 -4.142 4.043 222 HE2 TYR 55 2HE TYR 55 9.029 -5.907 7.798 223 HH TYR 55 HH TYR 55 10.527 -5.216 6.193 224 H SER 56 H SER 56 3.011 -5.122 9.804 225 HA SER 56 HA SER 56 0.243 -6.145 9.553 226 1HB SER 56 1HB SER 56 1.679 -4.456 11.630 227 2HB SER 56 2HB SER 56 -0.034 -4.925 11.741 228 HG SER 56 HG SER 56 1.557 -6.341 12.785 229 H GLU 57 H GLU 57 -1.578 -4.622 9.810 230 HA GLU 57 HA GLU 57 -1.682 -2.863 7.653 231 1HB GLU 57 1HB GLU 57 -3.877 -2.435 8.228 232 2HB GLU 57 2HB GLU 57 -3.589 -4.033 8.867 233 1HG GLU 57 1HG GLU 57 -4.770 -3.086 10.571 234 2HG GLU 57 2HG GLU 57 -3.138 -2.774 11.158 235 H GLU 58 H GLU 58 -1.196 -2.094 11.093 236 HA GLU 58 HA GLU 58 -0.855 0.612 11.071 237 1HB GLU 58 1HB GLU 58 0.734 0.218 12.999 238 2HB GLU 58 2HB GLU 58 -0.839 -0.575 13.108 239 1HG GLU 58 1HG GLU 58 0.214 -2.726 12.350 240 2HG GLU 58 2HG GLU 58 1.798 -1.925 12.396 241 H GLU 59 H GLU 59 1.761 -1.749 10.331 242 HA GLU 59 HA GLU 59 3.823 0.169 9.895 243 1HB GLU 59 1HB GLU 59 3.375 -2.649 8.824 244 2HB GLU 59 2HB GLU 59 4.873 -1.755 8.589 245 1HG GLU 59 1HG GLU 59 5.245 -1.637 11.008 246 2HG GLU 59 2HG GLU 59 3.715 -2.475 11.310 247 H ILE 60 H ILE 60 1.528 -1.426 7.697 248 HA ILE 60 HA ILE 60 2.601 -0.338 5.260 249 HB ILE 60 HB ILE 60 -0.159 -1.391 5.937 250 1HG1 ILE 60 1HG1 ILE 60 2.088 -2.800 4.440 251 2HG1 ILE 60 2HG1 ILE 60 1.892 -2.951 6.184 252 1HG2 ILE 60 1HG2 ILE 60 1.050 -1.060 3.160 253 2HG2 ILE 60 2HG2 ILE 60 -0.570 -1.657 3.562 254 3HG2 ILE 60 3HG2 ILE 60 -0.163 0.026 3.861 255 1HD1 ILE 60 1HD1 ILE 60 0.892 -4.846 5.134 256 2HD1 ILE 60 2HD1 ILE 60 -0.376 -3.869 5.891 257 3HD1 ILE 60 3HD1 ILE 60 -0.146 -3.830 4.126 258 H LEU 61 H LEU 61 -0.168 0.583 7.307 259 HA LEU 61 HA LEU 61 -1.091 2.849 6.023 260 1HB LEU 61 1HB LEU 61 -2.059 1.693 8.020 261 2HB LEU 61 2HB LEU 61 -0.818 2.346 9.040 262 HG LEU 61 HG LEU 61 -1.615 4.560 8.879 263 1HD1 LEU 61 1HD1 LEU 61 -3.616 5.157 7.446 264 2HD1 LEU 61 2HD1 LEU 61 -2.141 4.800 6.541 265 3HD1 LEU 61 3HD1 LEU 61 -3.434 3.584 6.648 266 1HD2 LEU 61 1HD2 LEU 61 -4.027 2.701 9.031 267 2HD2 LEU 61 2HD2 LEU 61 -2.898 3.044 10.358 268 3HD2 LEU 61 3HD2 LEU 61 -3.920 4.341 9.706 269 H ASP 62 H ASP 62 1.366 2.622 8.643 270 HA ASP 62 HA ASP 62 1.944 5.399 8.688 271 1HB ASP 62 1HB ASP 62 2.586 3.784 10.474 272 2HB ASP 62 2HB ASP 62 3.836 3.125 9.403 273 H ILE 63 H ILE 63 3.398 2.700 6.839 274 HA ILE 63 HA ILE 63 5.461 4.285 5.626 275 HB ILE 63 HB ILE 63 4.200 1.591 5.121 276 1HG1 ILE 63 1HG1 ILE 63 7.107 2.455 5.424 277 2HG1 ILE 63 2HG1 ILE 63 6.043 2.103 6.794 278 1HG2 ILE 63 1HG2 ILE 63 5.729 1.230 3.177 279 2HG2 ILE 63 2HG2 ILE 63 4.348 2.265 2.867 280 3HG2 ILE 63 3HG2 ILE 63 5.971 2.980 3.093 281 1HD1 ILE 63 1HD1 ILE 63 6.907 0.121 4.651 282 2HD1 ILE 63 2HD1 ILE 63 7.352 0.145 6.359 283 3HD1 ILE 63 3HD1 ILE 63 5.676 -0.205 5.895 284 H ILE 64 H ILE 64 2.075 3.688 4.588 285 HA ILE 64 HA ILE 64 2.332 5.087 2.075 286 HB ILE 64 HB ILE 64 -0.024 4.676 3.955 287 1HG1 ILE 64 1HG1 ILE 64 0.664 3.328 1.312 288 2HG1 ILE 64 2HG1 ILE 64 1.071 2.653 2.887 289 1HG2 ILE 64 1HG2 ILE 64 -0.548 6.629 2.636 290 2HG2 ILE 64 2HG2 ILE 64 0.031 5.852 1.154 291 3HG2 ILE 64 3HG2 ILE 64 -1.438 5.274 1.969 292 1HD1 ILE 64 1HD1 ILE 64 -1.683 3.094 1.738 293 2HD1 ILE 64 2HD1 ILE 64 -0.959 1.611 2.379 294 3HD1 ILE 64 3HD1 ILE 64 -1.436 2.893 3.492 295 H LEU 65 H LEU 65 1.307 6.127 5.331 296 HA LEU 65 HA LEU 65 0.801 8.840 4.605 297 1HB LEU 65 1HB LEU 65 1.437 7.533 7.263 298 2HB LEU 65 2HB LEU 65 0.835 9.182 7.093 299 HG LEU 65 HG LEU 65 -0.806 6.794 6.037 300 1HD1 LEU 65 1HD1 LEU 65 -0.860 8.158 8.779 301 2HD1 LEU 65 2HD1 LEU 65 -2.014 6.941 8.197 302 3HD1 LEU 65 3HD1 LEU 65 -0.320 6.496 8.475 303 1HD2 LEU 65 1HD2 LEU 65 -1.521 9.626 6.773 304 2HD2 LEU 65 2HD2 LEU 65 -1.435 8.883 5.147 305 3HD2 LEU 65 3HD2 LEU 65 -2.648 8.334 6.318 306 H ASN 66 H ASN 66 3.732 7.203 5.657 307 HA ASN 66 HA ASN 66 5.229 9.709 6.139 308 1HB ASN 66 1HB ASN 66 5.766 6.759 6.681 309 2HB ASN 66 2HB ASN 66 7.000 7.963 6.853 310 1HD2 ASN 66 1HD2 ASN 66 3.716 7.225 7.899 311 2HD2 ASN 66 2HD2 ASN 66 4.000 7.544 9.575 312 H GLY 67 H GLY 67 5.385 6.807 4.052 313 1HA GLY 67 1HA GLY 67 6.399 6.679 1.930 314 2HA GLY 67 2HA GLY 67 7.430 8.063 2.299 315 H GLN 68 H GLN 68 7.322 4.673 2.172 316 HA GLN 68 HA GLN 68 9.502 3.975 3.932 317 1HB GLN 68 1HB GLN 68 8.275 2.095 2.770 318 2HB GLN 68 2HB GLN 68 8.527 2.920 1.245 319 1HG GLN 68 1HG GLN 68 9.822 0.959 1.571 320 2HG GLN 68 2HG GLN 68 10.864 2.350 1.226 321 1HE2 GLN 68 1HE2 GLN 68 10.920 -0.501 2.720 322 2HE2 GLN 68 2HE2 GLN 68 11.880 -0.077 4.126 323 H GLY 69 H GLY 69 11.778 4.115 3.420 324 1HA GLY 69 1HA GLY 69 13.129 6.172 2.878 325 2HA GLY 69 2HA GLY 69 13.657 4.705 2.058 326 H GLY 70 H GLY 70 12.750 4.400 -0.242 327 1HA GLY 70 1HA GLY 70 13.339 6.856 -1.732 328 2HA GLY 70 2HA GLY 70 13.127 5.220 -2.364 329 H MET 71 H MET 71 10.463 5.453 -0.601 330 HA MET 71 HA MET 71 8.774 5.959 -2.944 331 1HB MET 71 1HB MET 71 8.545 3.902 -1.733 332 2HB MET 71 2HB MET 71 8.447 4.730 -0.198 333 1HG MET 71 1HG MET 71 6.341 5.645 -0.615 334 2HG MET 71 2HG MET 71 6.236 4.936 -2.226 335 1HE MET 71 1HE MET 71 4.741 4.728 0.993 336 2HE MET 71 2HE MET 71 3.910 4.379 -0.531 337 3HE MET 71 3HE MET 71 3.968 3.152 0.748 338 HA PRO 72 HA PRO 72 7.779 9.963 -1.137 339 1HB PRO 72 1HB PRO 72 5.396 10.521 -2.493 340 2HB PRO 72 2HB PRO 72 7.047 10.801 -3.108 341 1HG PRO 72 1HG PRO 72 5.184 8.545 -3.751 342 2HG PRO 72 2HG PRO 72 6.350 9.362 -4.813 343 1HD PRO 72 1HD PRO 72 6.794 6.906 -3.617 344 2HD PRO 72 2HD PRO 72 8.117 8.035 -4.053 345 H GLY 73 H GLY 73 6.083 10.957 0.262 346 1HA GLY 73 1HA GLY 73 4.630 8.882 1.826 347 2HA GLY 73 2HA GLY 73 5.453 10.322 2.465 348 H GLY 74 H GLY 74 2.611 9.401 2.461 349 1HA GLY 74 1HA GLY 74 0.584 10.541 2.630 350 2HA GLY 74 2HA GLY 74 1.388 12.045 2.143 351 H ILE 75 H ILE 75 1.731 9.130 0.246 352 HA ILE 75 HA ILE 75 0.701 10.123 -2.208 353 HB ILE 75 HB ILE 75 1.002 7.298 -1.104 354 1HG1 ILE 75 1HG1 ILE 75 2.827 8.915 -2.943 355 2HG1 ILE 75 2HG1 ILE 75 3.110 8.614 -1.223 356 1HG2 ILE 75 1HG2 ILE 75 0.953 6.562 -3.492 357 2HG2 ILE 75 2HG2 ILE 75 -0.569 7.233 -2.963 358 3HG2 ILE 75 3HG2 ILE 75 0.526 8.212 -3.973 359 1HD1 ILE 75 1HD1 ILE 75 2.985 6.112 -1.757 360 2HD1 ILE 75 2HD1 ILE 75 3.132 6.596 -3.462 361 3HD1 ILE 75 3HD1 ILE 75 4.420 6.972 -2.332 362 H ALA 76 H ALA 76 -0.781 8.554 0.584 363 HA ALA 76 HA ALA 76 -3.439 9.363 -0.294 364 1HB ALA 76 1HB ALA 76 -3.496 7.039 -0.985 365 2HB ALA 76 2HB ALA 76 -2.585 6.519 0.445 366 3HB ALA 76 3HB ALA 76 -4.247 7.071 0.629 367 H LYS 77 H LYS 77 -4.745 9.812 1.679 368 HA LYS 77 HA LYS 77 -3.430 9.342 4.258 369 1HB LYS 77 1HB LYS 77 -4.160 12.092 3.149 370 2HB LYS 77 2HB LYS 77 -3.942 11.732 4.859 371 1HG LYS 77 1HG LYS 77 -1.607 10.838 4.245 372 2HG LYS 77 2HG LYS 77 -1.857 11.532 2.655 373 1HD LYS 77 1HD LYS 77 -1.290 13.568 3.333 374 2HD LYS 77 2HD LYS 77 -2.418 13.564 4.682 375 1HE LYS 77 1HE LYS 77 0.323 12.175 4.745 376 2HE LYS 77 2HE LYS 77 0.076 13.849 5.249 377 1HZ LYS 77 1HZ LYS 77 -1.380 13.127 6.959 378 2HZ LYS 77 2HZ LYS 77 -1.308 11.562 6.464 379 3HZ LYS 77 3HZ LYS 77 0.029 12.290 7.083 380 H GLY 78 H GLY 78 -4.818 9.785 6.092 381 1HA GLY 78 1HA GLY 78 -6.731 9.336 7.256 382 2HA GLY 78 2HA GLY 78 -7.572 10.264 5.997 383 H ALA 79 H ALA 79 -9.340 9.008 5.659 384 HA ALA 79 HA ALA 79 -9.739 6.315 5.678 385 1HB ALA 79 1HB ALA 79 -10.920 8.277 3.670 386 2HB ALA 79 2HB ALA 79 -11.577 6.682 4.096 387 3HB ALA 79 3HB ALA 79 -11.522 7.967 5.318 388 H GLU 80 H GLU 80 -8.090 8.148 3.083 389 HA GLU 80 HA GLU 80 -8.229 6.063 1.125 390 1HB GLU 80 1HB GLU 80 -7.743 8.603 0.859 391 2HB GLU 80 2HB GLU 80 -6.097 8.200 1.332 392 1HG GLU 80 1HG GLU 80 -6.035 6.591 -0.636 393 2HG GLU 80 2HG GLU 80 -7.633 7.178 -1.092 394 H ALA 81 H ALA 81 -5.597 7.026 3.496 395 HA ALA 81 HA ALA 81 -3.912 4.848 2.653 396 1HB ALA 81 1HB ALA 81 -3.820 6.514 5.194 397 2HB ALA 81 2HB ALA 81 -2.512 5.530 4.482 398 3HB ALA 81 3HB ALA 81 -3.083 6.972 3.641 399 H GLU 82 H GLU 82 -6.241 5.404 5.343 400 HA GLU 82 HA GLU 82 -5.796 2.994 6.775 401 1HB GLU 82 1HB GLU 82 -8.259 4.727 6.370 402 2HB GLU 82 2HB GLU 82 -8.226 3.347 7.468 403 1HG GLU 82 1HG GLU 82 -6.501 4.330 8.823 404 2HG GLU 82 2HG GLU 82 -6.258 5.663 7.678 405 H ALA 83 H ALA 83 -8.083 3.698 4.088 406 HA ALA 83 HA ALA 83 -9.270 1.167 3.860 407 1HB ALA 83 1HB ALA 83 -10.066 3.114 2.607 408 2HB ALA 83 2HB ALA 83 -8.567 3.154 1.650 409 3HB ALA 83 3HB ALA 83 -9.695 1.801 1.500 410 H VAL 84 H VAL 84 -6.235 2.424 2.307 411 HA VAL 84 HA VAL 84 -5.574 -0.061 1.130 412 HB VAL 84 HB VAL 84 -3.533 1.904 2.242 413 1HG1 VAL 84 1HG1 VAL 84 -3.508 -0.596 0.591 414 2HG1 VAL 84 2HG1 VAL 84 -2.317 0.636 0.213 415 3HG1 VAL 84 3HG1 VAL 84 -2.371 -0.079 1.828 416 1HG2 VAL 84 1HG2 VAL 84 -4.677 3.219 0.691 417 2HG2 VAL 84 2HG2 VAL 84 -3.360 2.534 -0.253 418 3HG2 VAL 84 3HG2 VAL 84 -5.011 1.856 -0.390 419 H ALA 85 H ALA 85 -4.509 1.232 4.349 420 HA ALA 85 HA ALA 85 -2.868 -0.836 5.157 421 1HB ALA 85 1HB ALA 85 -3.363 -0.148 7.425 422 2HB ALA 85 2HB ALA 85 -3.366 1.281 6.359 423 3HB ALA 85 3HB ALA 85 -4.892 0.598 6.946 424 H ALA 86 H ALA 86 -6.399 -0.638 5.791 425 HA ALA 86 HA ALA 86 -6.668 -3.215 6.933 426 1HB ALA 86 1HB ALA 86 -8.717 -1.546 5.413 427 2HB ALA 86 2HB ALA 86 -9.077 -2.924 6.479 428 3HB ALA 86 3HB ALA 86 -8.350 -1.449 7.150 429 H TRP 87 H TRP 87 -7.284 -2.176 3.515 430 HA TRP 87 HA TRP 87 -8.082 -4.765 2.621 431 1HB TRP 87 1HB TRP 87 -8.686 -2.807 1.435 432 2HB TRP 87 2HB TRP 87 -6.987 -2.324 1.248 433 HD1 TRP 87 HD TRP 87 -9.579 -4.623 -0.380 434 HE1 TRP 87 1HE TRP 87 -8.629 -5.582 -2.527 435 HE3 TRP 87 3HE TRP 87 -4.882 -2.553 -0.190 436 HZ2 TRP 87 2HZ TRP 87 -5.061 -5.414 -2.870 437 HZ3 TRP 87 3HZ TRP 87 -3.498 -2.692 -2.300 438 HH2 TRP 87 HH TRP 87 -4.631 -3.468 -4.376 439 H LEU 88 H LEU 88 -4.931 -3.095 2.214 440 HA LEU 88 HA LEU 88 -3.643 -5.221 0.952 441 1HB LEU 88 1HB LEU 88 -2.911 -2.639 1.681 442 2HB LEU 88 2HB LEU 88 -1.845 -3.616 2.650 443 HG LEU 88 HG LEU 88 -1.934 -4.641 -0.153 444 1HD1 LEU 88 1HD1 LEU 88 -1.073 -2.850 -1.305 445 2HD1 LEU 88 2HD1 LEU 88 -2.504 -2.203 -0.496 446 3HD1 LEU 88 3HD1 LEU 88 -0.902 -1.827 0.151 447 1HD2 LEU 88 1HD2 LEU 88 -0.286 -5.241 1.341 448 2HD2 LEU 88 2HD2 LEU 88 0.293 -4.355 -0.097 449 3HD2 LEU 88 3HD2 LEU 88 0.272 -3.525 1.491 450 H ALA 89 H ALA 89 -3.965 -4.435 4.464 451 HA ALA 89 HA ALA 89 -2.473 -6.624 5.449 452 1HB ALA 89 1HB ALA 89 -3.803 -6.430 7.474 453 2HB ALA 89 2HB ALA 89 -3.196 -4.876 6.872 454 3HB ALA 89 3HB ALA 89 -4.911 -5.308 6.659 455 H GLU 90 H GLU 90 -5.989 -6.473 4.528 456 HA GLU 90 HA GLU 90 -6.318 -9.268 5.178 457 1HB GLU 90 1HB GLU 90 -8.523 -8.956 4.922 458 2HB GLU 90 2HB GLU 90 -8.002 -7.298 5.212 459 1HG GLU 90 1HG GLU 90 -9.447 -6.993 3.452 460 2HG GLU 90 2HG GLU 90 -7.942 -7.188 2.554 461 H LYS 91 H LYS 91 -4.794 -7.829 2.535 462 HA LYS 91 HA LYS 91 -5.639 -9.528 0.402 463 1HB LYS 91 1HB LYS 91 -4.219 -7.244 0.730 464 2HB LYS 91 2HB LYS 91 -2.868 -8.312 0.433 465 1HG LYS 91 1HG LYS 91 -5.279 -8.163 -1.448 466 2HG LYS 91 2HG LYS 91 -4.157 -6.812 -1.336 467 1HD LYS 91 1HD LYS 91 -3.464 -8.136 -3.176 468 2HD LYS 91 2HD LYS 91 -2.240 -8.217 -1.904 469 1HE LYS 91 1HE LYS 91 -2.569 -10.417 -1.462 470 2HE LYS 91 2HE LYS 91 -4.331 -10.333 -1.746 471 1HZ LYS 91 1HZ LYS 91 -3.400 -11.627 -3.423 472 2HZ LYS 91 2HZ LYS 91 -3.806 -10.198 -4.146 473 3HZ LYS 91 3HZ LYS 91 -2.226 -10.526 -3.745 474 H LYS 92 H LYS 92 -3.727 -10.080 3.173 475 HA LYS 92 HA LYS 92 -1.539 -11.484 2.202 476 1HB LYS 92 1HB LYS 92 -1.190 -11.957 4.546 477 2HB LYS 92 2HB LYS 92 -1.822 -10.318 4.262 478 1HG LYS 92 1HG LYS 92 -4.146 -11.232 4.833 479 2HG LYS 92 2HG LYS 92 -3.386 -12.739 5.309 480 1HD LYS 92 1HD LYS 92 -2.347 -11.784 7.191 481 2HD LYS 92 2HD LYS 92 -2.485 -10.134 6.565 482 1HE LYS 92 1HE LYS 92 -4.924 -10.139 6.807 483 2HE LYS 92 2HE LYS 92 -4.914 -11.832 7.309 484 1HZ LYS 92 1HZ LYS 92 -3.718 -11.185 9.273 485 2HZ LYS 92 2HZ LYS 92 -3.636 -9.616 8.775 486 3HZ LYS 92 3HZ LYS 92 -5.093 -10.287 9.149 487 HHA HEC 93 HHA HEC 93 8.798 -0.357 0.195 488 HHB HEC 93 HHB HEC 93 2.379 -0.045 0.756 489 HHC HEC 93 HHC HEC 93 2.453 4.365 -3.960 490 HHD HEC 93 HHD HEC 93 8.576 3.067 -5.130 491 1HMA HEC 93 1HMA HEC 93 4.814 -1.466 3.465 492 2HMA HEC 93 2HMA HEC 93 3.336 -0.788 2.791 493 3HMA HEC 93 3HMA HEC 93 3.916 -2.377 2.232 494 1HAA HEC 93 1HAA HEC 93 7.012 -1.891 3.060 495 2HAA HEC 93 2HAA HEC 93 8.161 -0.726 2.482 496 1HBA HEC 93 1HBA HEC 93 7.913 -2.353 0.317 497 2HBA HEC 93 2HBA HEC 93 7.571 -3.528 1.580 498 1HMB HEC 93 1HMB HEC 93 -0.706 1.523 -0.823 499 2HMB HEC 93 2HMB HEC 93 0.176 -0.002 -0.822 500 3HMB HEC 93 3HMB HEC 93 0.258 1.054 0.601 501 HAB HEC 93 HAB HEC 93 0.578 4.344 -3.151 502 1HBB HEC 93 1HBB HEC 93 0.102 5.055 -0.944 503 2HBB HEC 93 2HBB HEC 93 -1.404 4.792 -1.836 504 3HBB HEC 93 3HBB HEC 93 -0.891 3.635 -0.605 505 1HMC HEC 93 1HMC HEC 93 3.268 5.962 -5.559 506 2HMC HEC 93 2HMC HEC 93 4.311 5.710 -6.954 507 3HMC HEC 93 3HMC HEC 93 3.113 4.489 -6.519 508 HAC HEC 93 HAC HEC 93 7.946 4.327 -6.655 509 1HBC HEC 93 1HBC HEC 93 7.590 6.575 -7.596 510 2HBC HEC 93 2HBC HEC 93 6.188 6.786 -6.526 511 3HBC HEC 93 3HBC HEC 93 7.800 6.525 -5.842 512 1HMD HEC 93 1HMD HEC 93 10.202 1.667 -5.279 513 2HMD HEC 93 2HMD HEC 93 11.351 2.392 -4.122 514 3HMD HEC 93 3HMD HEC 93 11.231 0.625 -4.324 515 1HAD HEC 93 1HAD HEC 93 11.012 -0.740 -1.366 516 2HAD HEC 93 2HAD HEC 93 10.748 0.458 -0.198 517 1HBD HEC 93 1HBD HEC 93 12.859 0.933 -0.521 518 2HBD HEC 93 2HBD HEC 93 12.052 2.169 -1.461
Contact the webmaster for help, if required. Monday, May 13, 2024 7:25:06 AM GMT (wattos1)