NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639832 | 6qkp | 34358 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 65 1HT MET 65 7.269 14.335 -25.311 2 HA MET 65 HA MET 65 8.293 12.196 -25.439 3 HB2 MET 65 2HB MET 65 10.349 11.823 -26.674 4 HB3 MET 65 1HB MET 65 9.104 12.358 -27.786 5 HG2 MET 65 2HG MET 65 10.062 14.596 -27.810 6 HG3 MET 65 1HG MET 65 11.280 14.094 -26.641 7 HE1 MET 65 1HE MET 65 13.366 14.554 -29.922 8 HE2 MET 65 2HE MET 65 13.158 15.040 -28.235 9 HE3 MET 65 3HE MET 65 11.964 15.508 -29.440 10 H SER 66 H SER 66 9.023 15.368 -24.604 11 HA SER 66 HA SER 66 11.212 14.467 -22.913 12 HB2 SER 66 2HB SER 66 11.709 16.280 -24.464 13 HB3 SER 66 1HB SER 66 10.385 17.228 -23.799 14 HG SER 66 HG SER 66 12.540 17.714 -22.950 15 H GLY 67 H GLY 67 10.257 13.718 -21.097 16 HA2 GLY 67 2HA GLY 67 9.458 14.048 -18.970 17 HA3 GLY 67 1HA GLY 67 8.885 15.642 -19.438 18 H SER 68 H SER 68 7.703 13.125 -18.155 19 HA SER 68 HA SER 68 5.379 12.904 -19.918 20 HB2 SER 68 2HB SER 68 6.205 11.115 -17.621 21 HB3 SER 68 1HB SER 68 4.882 10.821 -18.751 22 HG SER 68 HG SER 68 7.249 9.940 -19.045 23 H GLY 69 H GLY 69 6.409 14.690 -17.426 24 HA2 GLY 69 2HA GLY 69 4.960 16.341 -16.490 25 HA3 GLY 69 1HA GLY 69 3.664 15.159 -16.530 26 H ARG 70 H ARG 70 3.102 14.402 -14.716 27 HA ARG 70 HA ARG 70 2.963 13.757 -12.588 28 HB2 ARG 70 2HB ARG 70 5.869 13.176 -12.793 29 HB3 ARG 70 1HB ARG 70 4.799 12.677 -11.501 30 HG2 ARG 70 2HG ARG 70 3.436 11.476 -13.265 31 HG3 ARG 70 1HG ARG 70 4.804 11.757 -14.355 32 HD2 ARG 70 2HD ARG 70 6.269 10.770 -12.642 33 HD3 ARG 70 1HD ARG 70 4.800 10.387 -11.738 34 HE ARG 70 HE ARG 70 4.688 9.346 -14.373 35 HH11 ARG 70 1HH1 ARG 70 5.789 8.669 -11.099 36 HH12 ARG 70 2HH1 ARG 70 6.198 7.033 -11.441 37 HH21 ARG 70 1HH2 ARG 70 5.288 7.107 -14.822 38 HH22 ARG 70 2HH2 ARG 70 5.968 6.159 -13.564 39 H GLY 71 H GLY 71 2.468 15.842 -11.908 40 HA2 GLY 71 2HA GLY 71 4.667 17.306 -10.754 41 HA3 GLY 71 1HA GLY 71 2.982 17.853 -10.813 42 H ARG 72 H ARG 72 2.180 15.175 -9.842 43 HA ARG 72 HA ARG 72 2.450 15.783 -7.004 44 HB2 ARG 72 2HB ARG 72 0.458 14.238 -8.629 45 HB3 ARG 72 1HB ARG 72 0.499 14.139 -6.872 46 HG2 ARG 72 2HG ARG 72 -0.160 16.336 -6.605 47 HG3 ARG 72 1HG ARG 72 0.393 16.799 -8.211 48 HD2 ARG 72 2HD ARG 72 -2.091 16.724 -7.952 49 HD3 ARG 72 1HD ARG 72 -1.454 15.735 -9.246 50 HE ARG 72 HE ARG 72 -1.798 13.800 -7.802 51 HH11 ARG 72 1HH1 ARG 72 -3.486 16.740 -6.770 52 HH12 ARG 72 2HH1 ARG 72 -4.837 15.898 -6.163 53 HH21 ARG 72 1HH2 ARG 72 -3.582 12.707 -7.073 54 HH22 ARG 72 2HH2 ARG 72 -4.921 13.490 -6.332 55 H GLY 73 H GLY 73 3.122 14.354 -5.483 56 HA2 GLY 73 2HA GLY 73 4.430 11.905 -6.443 57 HA3 GLY 73 1HA GLY 73 4.880 12.803 -4.991 58 H ALA 74 H ALA 74 4.629 10.950 -3.657 59 HA ALA 74 HA ALA 74 3.490 9.555 -2.179 60 HB1 ALA 74 1HB ALA 74 2.369 11.714 -1.566 61 HB2 ALA 74 2HB ALA 74 1.328 10.312 -1.373 62 HB3 ALA 74 3HB ALA 74 1.128 11.373 -2.771 63 H ILE 75 H ILE 75 0.664 8.902 -2.395 64 HA ILE 75 HA ILE 75 1.087 6.993 -4.548 65 HB ILE 75 HB ILE 75 -0.754 6.840 -2.187 66 HG12 ILE 75 2HG1 ILE 75 1.869 5.411 -2.626 67 HG13 ILE 75 1HG1 ILE 75 1.710 6.892 -1.702 68 HG21 ILE 75 1HG2 ILE 75 -0.908 4.411 -2.815 69 HG22 ILE 75 2HG2 ILE 75 0.133 4.726 -4.206 70 HG23 ILE 75 3HG2 ILE 75 -1.475 5.446 -4.127 71 HD11 ILE 75 1HD1 ILE 75 0.427 4.251 -1.035 72 HD12 ILE 75 2HD1 ILE 75 0.307 5.772 -0.120 73 HD13 ILE 75 3HD1 ILE 75 1.865 4.981 -0.295 74 H ASP 76 H ASP 76 0.528 8.482 -5.896 75 HA ASP 76 HA ASP 76 -2.260 9.404 -6.118 76 HB2 ASP 76 2HB ASP 76 -0.554 11.119 -6.471 77 HB3 ASP 76 1HB ASP 76 0.212 10.140 -7.712 78 H ARG 77 H ARG 77 -0.045 7.153 -7.342 79 HA ARG 77 HA ARG 77 -1.905 6.393 -9.495 80 HB2 ARG 77 2HB ARG 77 1.069 5.814 -9.258 81 HB3 ARG 77 1HB ARG 77 0.042 5.426 -10.635 82 HG2 ARG 77 2HG ARG 77 0.636 8.211 -9.650 83 HG3 ARG 77 1HG ARG 77 1.414 7.430 -11.028 84 HD2 ARG 77 2HD ARG 77 -0.541 7.464 -12.298 85 HD3 ARG 77 1HD ARG 77 -1.580 7.681 -10.898 86 HE ARG 77 HE ARG 77 -0.791 9.926 -10.722 87 HH11 ARG 77 1HH1 ARG 77 -0.032 8.339 -13.808 88 HH12 ARG 77 2HH1 ARG 77 -0.010 9.801 -14.688 89 HH21 ARG 77 1HH2 ARG 77 -0.792 11.859 -11.949 90 HH22 ARG 77 2HH2 ARG 77 -0.461 11.825 -13.629 91 H GLU 78 H GLU 78 -1.065 3.786 -9.907 92 HA GLU 78 HA GLU 78 -2.271 2.547 -7.669 93 HB2 GLU 78 2HB GLU 78 -0.950 1.421 -10.118 94 HB3 GLU 78 1HB GLU 78 -1.596 0.391 -8.848 95 HG2 GLU 78 2HG GLU 78 -3.785 1.455 -9.159 96 HG3 GLU 78 1HG GLU 78 -3.125 2.374 -10.509 97 H GLN 79 H GLN 79 -1.479 1.275 -6.138 98 HA GLN 79 HA GLN 79 0.896 2.067 -4.914 99 HB2 GLN 79 2HB GLN 79 -0.645 -0.491 -4.470 100 HB3 GLN 79 1HB GLN 79 0.470 0.265 -3.341 101 HG2 GLN 79 2HG GLN 79 -1.012 2.152 -3.081 102 HG3 GLN 79 1HG GLN 79 -2.102 1.500 -4.302 103 HE21 GLN 79 1HE2 GLN 79 -2.658 2.170 -1.592 104 HE22 GLN 79 2HE2 GLN 79 -3.253 0.740 -0.830 105 H SER 80 H SER 80 0.090 -0.903 -6.656 106 HA SER 80 HA SER 80 2.506 -2.217 -6.363 107 HB2 SER 80 2HB SER 80 0.618 -2.362 -8.710 108 HB3 SER 80 1HB SER 80 1.748 -3.609 -8.178 109 HG SER 80 HG SER 80 0.301 -4.262 -6.868 110 H ALA 81 H ALA 81 1.424 -0.029 -8.930 111 HA ALA 81 HA ALA 81 3.723 -0.247 -10.539 112 HB1 ALA 81 1HB ALA 81 1.621 0.629 -11.397 113 HB2 ALA 81 2HB ALA 81 2.930 1.809 -11.593 114 HB3 ALA 81 3HB ALA 81 1.741 2.006 -10.300 115 H ALA 82 H ALA 82 2.771 1.990 -7.995 116 HA ALA 82 HA ALA 82 4.947 3.716 -8.139 117 HB1 ALA 82 1HB ALA 82 3.292 3.014 -5.715 118 HB2 ALA 82 2HB ALA 82 2.881 4.241 -6.916 119 HB3 ALA 82 3HB ALA 82 4.304 4.445 -5.894 120 H ILE 83 H ILE 83 4.445 0.825 -6.144 121 HA ILE 83 HA ILE 83 6.916 0.973 -4.799 122 HB ILE 83 HB ILE 83 5.220 -1.491 -5.333 123 HG12 ILE 83 2HG1 ILE 83 5.307 0.318 -2.906 124 HG13 ILE 83 1HG1 ILE 83 4.046 0.340 -4.130 125 HG21 ILE 83 1HG2 ILE 83 7.402 -1.016 -3.290 126 HG22 ILE 83 2HG2 ILE 83 7.495 -2.105 -4.676 127 HG23 ILE 83 3HG2 ILE 83 6.371 -2.444 -3.357 128 HD11 ILE 83 1HD1 ILE 83 3.424 -1.945 -3.522 129 HD12 ILE 83 2HD1 ILE 83 3.341 -0.858 -2.134 130 HD13 ILE 83 3HD1 ILE 83 4.706 -1.961 -2.311 131 H ARG 84 H ARG 84 5.966 -0.563 -7.836 132 HA ARG 84 HA ARG 84 8.380 -1.958 -8.240 133 HB2 ARG 84 2HB ARG 84 6.255 -1.046 -10.136 134 HB3 ARG 84 1HB ARG 84 7.681 -1.922 -10.673 135 HG2 ARG 84 2HG ARG 84 7.100 -3.795 -9.275 136 HG3 ARG 84 1HG ARG 84 5.726 -2.901 -8.621 137 HD2 ARG 84 2HD ARG 84 4.996 -4.457 -10.309 138 HD3 ARG 84 1HD ARG 84 4.757 -2.788 -10.833 139 HE ARG 84 HE ARG 84 7.231 -3.673 -11.777 140 HH11 ARG 84 1HH1 ARG 84 3.790 -4.266 -12.316 141 HH12 ARG 84 2HH1 ARG 84 3.963 -4.714 -13.945 142 HH21 ARG 84 1HH2 ARG 84 7.482 -4.268 -14.008 143 HH22 ARG 84 2HH2 ARG 84 6.114 -4.699 -14.946 144 H GLU 85 H GLU 85 7.276 1.230 -9.311 145 HA GLU 85 HA GLU 85 9.637 1.818 -10.696 146 HB2 GLU 85 2HB GLU 85 7.670 3.637 -9.370 147 HB3 GLU 85 1HB GLU 85 8.999 4.222 -10.369 148 HG2 GLU 85 2HG GLU 85 7.989 2.765 -12.204 149 HG3 GLU 85 1HG GLU 85 6.569 2.655 -11.162 150 H TRP 86 H TRP 86 8.773 2.227 -7.267 151 HA TRP 86 HA TRP 86 11.018 3.736 -6.525 152 HB2 TRP 86 2HB TRP 86 9.039 3.553 -5.121 153 HB3 TRP 86 1HB TRP 86 9.243 1.812 -5.007 154 HD1 TRP 86 HD TRP 86 10.541 5.086 -3.546 155 HE1 TRP 86 1HE TRP 86 11.942 4.563 -1.478 156 HE3 TRP 86 3HE TRP 86 10.687 0.043 -3.986 157 HZ2 TRP 86 2HZ TRP 86 13.000 2.277 -0.174 158 HZ3 TRP 86 3HZ TRP 86 11.926 -1.275 -2.270 159 HH2 TRP 86 HH TRP 86 13.050 -0.165 -0.419 160 H ALA 87 H ALA 87 10.299 0.298 -6.575 161 HA ALA 87 HA ALA 87 12.658 -0.750 -5.619 162 HB1 ALA 87 1HB ALA 87 12.034 -2.785 -6.864 163 HB2 ALA 87 2HB ALA 87 10.845 -1.847 -7.762 164 HB3 ALA 87 3HB ALA 87 10.652 -2.075 -6.027 165 H ARG 88 H ARG 88 11.757 0.051 -8.949 166 HA ARG 88 HA ARG 88 14.236 -0.723 -10.049 167 HB2 ARG 88 2HB ARG 88 12.220 1.219 -11.172 168 HB3 ARG 88 1HB ARG 88 13.624 0.628 -12.043 169 HG2 ARG 88 2HG ARG 88 11.181 -0.895 -11.184 170 HG3 ARG 88 1HG ARG 88 11.795 -0.635 -12.814 171 HD2 ARG 88 2HD ARG 88 12.912 -2.423 -10.663 172 HD3 ARG 88 1HD ARG 88 12.317 -2.877 -12.254 173 HE ARG 88 HE ARG 88 14.528 -1.120 -12.488 174 HH11 ARG 88 1HH1 ARG 88 13.683 -4.483 -12.001 175 HH12 ARG 88 2HH1 ARG 88 15.261 -5.086 -12.197 176 HH21 ARG 88 1HH2 ARG 88 16.692 -1.884 -12.771 177 HH22 ARG 88 2HH2 ARG 88 17.035 -3.548 -12.633 178 H ARG 89 H ARG 89 13.123 2.362 -8.821 179 HA ARG 89 HA ARG 89 15.363 3.851 -9.659 180 HB2 ARG 89 2HB ARG 89 13.417 4.314 -7.445 181 HB3 ARG 89 1HB ARG 89 14.648 5.474 -7.940 182 HG2 ARG 89 2HG ARG 89 13.743 5.554 -10.163 183 HG3 ARG 89 1HG ARG 89 12.551 4.321 -9.743 184 HD2 ARG 89 2HD ARG 89 11.725 5.804 -8.008 185 HD3 ARG 89 1HD ARG 89 12.865 7.028 -8.618 186 HE ARG 89 HE ARG 89 11.674 6.875 -10.765 187 HH11 ARG 89 1HH1 ARG 89 9.919 6.145 -7.794 188 HH12 ARG 89 2HH1 ARG 89 8.380 6.175 -8.502 189 HH21 ARG 89 1HH2 ARG 89 9.561 6.966 -11.762 190 HH22 ARG 89 2HH2 ARG 89 8.180 6.569 -10.856 191 H ASN 90 H ASN 90 14.776 1.796 -6.949 192 HA ASN 90 HA ASN 90 17.293 2.586 -5.712 193 HB2 ASN 90 2HB ASN 90 15.023 0.895 -4.802 194 HB3 ASN 90 1HB ASN 90 16.562 0.865 -3.923 195 HD21 ASN 90 1HD2 ASN 90 13.728 2.645 -4.713 196 HD22 ASN 90 2HD2 ASN 90 13.962 3.944 -3.614 197 H GLY 91 H GLY 91 16.204 0.237 -7.847 198 HA2 GLY 91 2HA GLY 91 17.754 -1.055 -9.087 199 HA3 GLY 91 1HA GLY 91 18.864 -0.978 -7.731 200 H HIS 92 H HIS 92 15.550 -1.812 -7.123 201 HA HIS 92 HA HIS 92 16.398 -4.489 -6.405 202 HB2 HIS 92 2HB HIS 92 13.797 -3.013 -5.927 203 HB3 HIS 92 1HB HIS 92 14.131 -4.652 -5.390 204 HD1 HIS 92 1HD HIS 92 15.957 -4.843 -3.379 205 HD2 HIS 92 2HD HIS 92 14.661 -1.021 -4.357 206 HE1 HIS 92 1HE HIS 92 16.625 -3.365 -1.461 207 H ASN 93 H ASN 93 15.782 -6.219 -7.521 208 HA ASN 93 HA ASN 93 14.572 -5.708 -10.090 209 HB2 ASN 93 2HB ASN 93 15.967 -8.149 -8.997 210 HB3 ASN 93 1HB ASN 93 15.185 -8.118 -10.571 211 HD21 ASN 93 1HD2 ASN 93 18.007 -8.489 -9.808 212 HD22 ASN 93 2HD2 ASN 93 18.873 -7.271 -10.656 213 H VAL 94 H VAL 94 12.511 -5.323 -9.494 214 HA VAL 94 HA VAL 94 10.978 -7.651 -8.612 215 HB VAL 94 HB VAL 94 10.117 -4.744 -8.826 216 HG11 VAL 94 1HG1 VAL 94 8.243 -6.244 -9.204 217 HG12 VAL 94 2HG1 VAL 94 8.092 -5.462 -7.627 218 HG13 VAL 94 3HG1 VAL 94 8.637 -7.134 -7.734 219 HG21 VAL 94 1HG2 VAL 94 11.690 -5.094 -7.004 220 HG22 VAL 94 2HG2 VAL 94 10.723 -6.439 -6.403 221 HG23 VAL 94 3HG2 VAL 94 10.069 -4.800 -6.369 222 H SER 95 H SER 95 10.678 -8.840 -10.397 223 HA SER 95 HA SER 95 8.926 -7.915 -12.432 224 HB2 SER 95 2HB SER 95 11.239 -6.894 -13.014 225 HB3 SER 95 1HB SER 95 11.749 -8.541 -13.352 226 HG SER 95 HG SER 95 9.721 -8.458 -14.807 227 H THR 96 H THR 96 11.587 -10.263 -11.753 228 HA THR 96 HA THR 96 10.537 -12.332 -13.297 229 HB THR 96 HB THR 96 12.276 -13.609 -11.843 230 HG1 THR 96 1HG THR 96 13.762 -12.112 -10.928 231 HG21 THR 96 1HG2 THR 96 14.078 -12.657 -13.223 232 HG22 THR 96 2HG2 THR 96 13.034 -11.298 -13.638 233 HG23 THR 96 3HG2 THR 96 12.623 -12.927 -14.180 234 H ARG 97 H ARG 97 10.094 -11.489 -9.930 235 HA ARG 97 HA ARG 97 9.070 -14.039 -9.178 236 HB2 ARG 97 2HB ARG 97 8.928 -11.362 -7.790 237 HB3 ARG 97 1HB ARG 97 8.209 -12.818 -7.126 238 HG2 ARG 97 2HG ARG 97 11.134 -12.428 -7.737 239 HG3 ARG 97 1HG ARG 97 10.394 -12.359 -6.133 240 HD2 ARG 97 2HD ARG 97 9.652 -14.701 -6.426 241 HD3 ARG 97 1HD ARG 97 10.478 -14.745 -7.978 242 HE ARG 97 HE ARG 97 12.133 -14.022 -5.744 243 HH11 ARG 97 1HH1 ARG 97 10.963 -16.641 -7.819 244 HH12 ARG 97 2HH1 ARG 97 12.141 -17.751 -7.301 245 HH21 ARG 97 1HH2 ARG 97 13.793 -15.568 -5.078 246 HH22 ARG 97 2HH2 ARG 97 13.741 -17.155 -5.729 247 H GLY 98 H GLY 98 7.706 -11.493 -10.921 248 HA2 GLY 98 2HA GLY 98 5.623 -11.282 -11.874 249 HA3 GLY 98 1HA GLY 98 5.223 -12.862 -11.221 250 H ARG 99 H ARG 99 6.315 -10.811 -8.846 251 HA ARG 99 HA ARG 99 3.792 -9.615 -8.122 252 HB2 ARG 99 2HB ARG 99 3.792 -12.038 -7.251 253 HB3 ARG 99 1HB ARG 99 5.191 -11.592 -6.289 254 HG2 ARG 99 2HG ARG 99 3.696 -9.740 -5.330 255 HG3 ARG 99 1HG ARG 99 2.354 -10.650 -6.027 256 HD2 ARG 99 2HD ARG 99 3.234 -12.654 -4.780 257 HD3 ARG 99 1HD ARG 99 4.342 -11.558 -3.963 258 HE ARG 99 HE ARG 99 1.489 -11.793 -3.616 259 HH11 ARG 99 1HH1 ARG 99 4.344 -9.766 -2.857 260 HH12 ARG 99 2HH1 ARG 99 3.651 -9.164 -1.427 261 HH21 ARG 99 1HH2 ARG 99 0.586 -10.827 -1.623 262 HH22 ARG 99 2HH2 ARG 99 1.534 -9.731 -0.748 263 H ILE 100 H ILE 100 4.292 -8.137 -6.296 264 HA ILE 100 HA ILE 100 7.079 -7.393 -6.301 265 HB ILE 100 HB ILE 100 4.787 -6.157 -4.751 266 HG12 ILE 100 2HG1 ILE 100 5.923 -5.360 -7.438 267 HG13 ILE 100 1HG1 ILE 100 4.357 -6.122 -7.180 268 HG21 ILE 100 1HG2 ILE 100 6.270 -4.199 -4.639 269 HG22 ILE 100 2HG2 ILE 100 7.518 -5.091 -5.511 270 HG23 ILE 100 3HG2 ILE 100 7.024 -5.615 -3.900 271 HD11 ILE 100 1HD1 ILE 100 4.129 -3.755 -7.527 272 HD12 ILE 100 2HD1 ILE 100 5.235 -3.448 -6.185 273 HD13 ILE 100 3HD1 ILE 100 3.656 -4.187 -5.875 274 HA PRO 101 HA PRO 101 7.684 -9.980 -2.698 275 HB2 PRO 101 2HB PRO 101 10.111 -8.336 -2.323 276 HB3 PRO 101 1HB PRO 101 9.977 -10.094 -2.543 277 HG2 PRO 101 2HG PRO 101 10.956 -8.542 -4.464 278 HG3 PRO 101 1HG PRO 101 9.972 -9.975 -4.817 279 HD2 PRO 101 2HD PRO 101 9.175 -7.099 -4.928 280 HD3 PRO 101 1HD PRO 101 8.710 -8.465 -5.961 281 H ALA 102 H ALA 102 6.967 -9.721 -0.739 282 HA ALA 102 HA ALA 102 5.871 -7.388 0.281 283 HB1 ALA 102 1HB ALA 102 5.308 -9.664 1.019 284 HB2 ALA 102 2HB ALA 102 5.675 -8.584 2.361 285 HB3 ALA 102 3HB ALA 102 6.870 -9.764 1.831 286 H ASP 103 H ASP 103 9.045 -8.668 0.554 287 HA ASP 103 HA ASP 103 10.074 -7.082 2.630 288 HB2 ASP 103 2HB ASP 103 11.471 -8.303 0.248 289 HB3 ASP 103 1HB ASP 103 12.288 -7.652 1.662 290 H VAL 104 H VAL 104 9.784 -6.548 -0.840 291 HA VAL 104 HA VAL 104 11.253 -4.083 -0.817 292 HB VAL 104 HB VAL 104 9.460 -5.350 -2.935 293 HG11 VAL 104 1HG1 VAL 104 11.236 -2.916 -3.209 294 HG12 VAL 104 2HG1 VAL 104 9.474 -2.882 -3.164 295 HG13 VAL 104 3HG1 VAL 104 10.309 -3.683 -4.498 296 HG21 VAL 104 1HG2 VAL 104 12.433 -5.003 -2.771 297 HG22 VAL 104 2HG2 VAL 104 11.557 -5.746 -4.109 298 HG23 VAL 104 3HG2 VAL 104 11.568 -6.522 -2.515 299 H ILE 105 H ILE 105 7.929 -5.115 -0.726 300 HA ILE 105 HA ILE 105 6.680 -2.591 -0.867 301 HB ILE 105 HB ILE 105 5.748 -5.101 0.567 302 HG12 ILE 105 2HG1 ILE 105 5.089 -4.080 -2.210 303 HG13 ILE 105 1HG1 ILE 105 6.208 -5.387 -1.852 304 HG21 ILE 105 1HG2 ILE 105 3.484 -4.161 0.365 305 HG22 ILE 105 2HG2 ILE 105 4.176 -2.662 -0.275 306 HG23 ILE 105 3HG2 ILE 105 4.535 -3.162 1.372 307 HD11 ILE 105 1HD1 ILE 105 4.376 -6.719 -0.966 308 HD12 ILE 105 2HD1 ILE 105 4.052 -6.210 -2.618 309 HD13 ILE 105 3HD1 ILE 105 3.251 -5.394 -1.270 310 H ASP 106 H ASP 106 7.925 -4.461 1.850 311 HA ASP 106 HA ASP 106 7.012 -2.761 3.918 312 HB2 ASP 106 2HB ASP 106 7.844 -5.158 4.165 313 HB3 ASP 106 1HB ASP 106 9.474 -4.516 4.014 314 H ALA 107 H ALA 107 10.117 -3.124 2.272 315 HA ALA 107 HA ALA 107 11.511 -1.035 3.472 316 HB1 ALA 107 1HB ALA 107 12.529 -2.767 2.062 317 HB2 ALA 107 2HB ALA 107 12.976 -1.147 1.522 318 HB3 ALA 107 3HB ALA 107 11.740 -2.068 0.652 319 H TYR 108 H TYR 108 9.456 -1.065 0.594 320 HA TYR 108 HA TYR 108 9.673 1.566 -0.218 321 HB2 TYR 108 2HB TYR 108 8.446 -0.055 -1.546 322 HB3 TYR 108 1HB TYR 108 7.252 -0.244 -0.266 323 HD1 TYR 108 1HD TYR 108 8.527 2.049 -2.848 324 HD2 TYR 108 2HD TYR 108 5.423 1.311 -0.052 325 HE1 TYR 108 1HE TYR 108 7.219 3.823 -3.860 326 HE2 TYR 108 2HE TYR 108 4.080 3.105 -1.056 327 HH TYR 108 HH TYR 108 4.388 5.085 -2.377 328 H HIS 109 H HIS 109 7.220 0.213 1.987 329 HA HIS 109 HA HIS 109 6.238 2.784 2.550 330 HB2 HIS 109 2HB HIS 109 5.665 0.147 3.877 331 HB3 HIS 109 1HB HIS 109 4.932 1.651 4.430 332 HD1 HIS 109 1HD HIS 109 3.492 2.958 2.530 333 HD2 HIS 109 2HD HIS 109 4.418 -1.005 1.755 334 HE1 HIS 109 1HE HIS 109 2.027 2.284 0.625 335 H ALA 110 H ALA 110 8.853 1.089 3.848 336 HA ALA 110 HA ALA 110 9.015 2.627 6.272 337 HB1 ALA 110 1HB ALA 110 11.183 1.584 6.556 338 HB2 ALA 110 2HB ALA 110 11.107 0.945 4.915 339 HB3 ALA 110 3HB ALA 110 9.976 0.373 6.135 340 H ALA 111 H ALA 111 10.156 2.985 2.944 341 HA ALA 111 HA ALA 111 12.096 5.026 3.756 342 HB1 ALA 111 1HB ALA 111 11.464 3.776 1.101 343 HB2 ALA 111 2HB ALA 111 12.793 3.292 2.157 344 HB3 ALA 111 3HB ALA 111 12.783 4.901 1.411 345 H THR 112 H THR 112 9.078 4.471 2.311 346 HA THR 112 HA THR 112 8.750 7.243 1.632 347 HB THR 112 HB THR 112 8.368 4.749 -0.016 348 HG1 THR 112 1HG THR 112 10.290 6.447 0.277 349 HG21 THR 112 1HG2 THR 112 6.505 6.142 -0.314 350 HG22 THR 112 2HG2 THR 112 7.543 6.183 -1.762 351 HG23 THR 112 3HG2 THR 112 7.532 7.563 -0.610 Start of MODEL 2 1 H MET 65 1HT MET 65 -5.166 9.879 -11.757 2 HA MET 65 HA MET 65 -4.227 11.473 -10.414 3 HB2 MET 65 2HB MET 65 -2.256 12.812 -11.177 4 HB3 MET 65 1HB MET 65 -1.871 11.154 -10.755 5 HG2 MET 65 2HG MET 65 -2.269 12.123 -13.578 6 HG3 MET 65 1HG MET 65 -0.699 12.056 -12.781 7 HE1 MET 65 1HE MET 65 0.220 10.581 -14.774 8 HE2 MET 65 2HE MET 65 -1.357 10.617 -15.569 9 HE3 MET 65 3HE MET 65 -0.528 9.083 -15.325 10 H SER 66 H SER 66 -5.580 13.050 -10.556 11 HA SER 66 HA SER 66 -5.987 14.359 -13.164 12 HB2 SER 66 2HB SER 66 -8.018 13.994 -10.944 13 HB3 SER 66 1HB SER 66 -8.308 14.780 -12.497 14 HG SER 66 HG SER 66 -7.671 12.077 -11.999 15 H GLY 67 H GLY 67 -4.765 14.657 -10.106 16 HA2 GLY 67 2HA GLY 67 -4.516 17.484 -10.326 17 HA3 GLY 67 1HA GLY 67 -5.494 16.948 -8.955 18 H SER 68 H SER 68 -3.709 17.941 -7.752 19 HA SER 68 HA SER 68 -1.528 16.005 -7.420 20 HB2 SER 68 2HB SER 68 -1.440 18.980 -6.865 21 HB3 SER 68 1HB SER 68 -0.091 17.852 -6.770 22 HG SER 68 HG SER 68 0.109 17.857 -8.863 23 H GLY 69 H GLY 69 -3.664 18.368 -5.837 24 HA2 GLY 69 2HA GLY 69 -4.646 18.302 -3.780 25 HA3 GLY 69 1HA GLY 69 -3.984 16.685 -3.543 26 H ARG 70 H ARG 70 -3.469 17.352 -1.371 27 HA ARG 70 HA ARG 70 -1.552 19.433 -0.955 28 HB2 ARG 70 2HB ARG 70 -3.243 17.989 0.710 29 HB3 ARG 70 1HB ARG 70 -1.635 17.446 1.165 30 HG2 ARG 70 2HG ARG 70 -2.296 19.293 2.550 31 HG3 ARG 70 1HG ARG 70 -0.976 19.789 1.490 32 HD2 ARG 70 2HD ARG 70 -2.735 20.758 -0.050 33 HD3 ARG 70 1HD ARG 70 -3.903 20.433 1.232 34 HE ARG 70 HE ARG 70 -1.738 21.838 2.278 35 HH11 ARG 70 1HH1 ARG 70 -4.599 22.335 0.259 36 HH12 ARG 70 2HH1 ARG 70 -4.618 24.023 0.404 37 HH21 ARG 70 1HH2 ARG 70 -1.780 24.173 2.538 38 HH22 ARG 70 2HH2 ARG 70 -2.974 25.107 1.769 39 H GLY 71 H GLY 71 -1.401 15.931 -1.148 40 HA2 GLY 71 2HA GLY 71 0.740 15.319 -2.387 41 HA3 GLY 71 1HA GLY 71 1.521 16.150 -1.047 42 H ARG 72 H ARG 72 0.012 13.335 -2.134 43 HA ARG 72 HA ARG 72 -0.145 11.246 -1.386 44 HB2 ARG 72 2HB ARG 72 1.753 12.081 0.838 45 HB3 ARG 72 1HB ARG 72 1.358 10.432 0.379 46 HG2 ARG 72 2HG ARG 72 2.363 10.846 -1.839 47 HG3 ARG 72 1HG ARG 72 2.857 12.443 -1.272 48 HD2 ARG 72 2HD ARG 72 4.729 11.001 -0.994 49 HD3 ARG 72 1HD ARG 72 4.050 11.292 0.604 50 HE ARG 72 HE ARG 72 3.140 8.898 -0.754 51 HH11 ARG 72 1HH1 ARG 72 5.258 10.257 1.753 52 HH12 ARG 72 2HH1 ARG 72 5.757 8.725 2.312 53 HH21 ARG 72 1HH2 ARG 72 3.844 6.836 0.059 54 HH22 ARG 72 2HH2 ARG 72 4.976 6.781 1.354 55 H GLY 73 H GLY 73 -0.061 10.463 1.521 56 HA2 GLY 73 2HA GLY 73 -1.495 10.756 3.382 57 HA3 GLY 73 1HA GLY 73 -2.630 11.643 2.348 58 H ALA 74 H ALA 74 -1.741 9.650 0.341 59 HA ALA 74 HA ALA 74 -2.479 7.039 0.858 60 HB1 ALA 74 1HB ALA 74 -4.505 7.015 -0.576 61 HB2 ALA 74 2HB ALA 74 -4.505 8.781 -0.606 62 HB3 ALA 74 3HB ALA 74 -4.813 7.924 0.908 63 H ILE 75 H ILE 75 -2.445 6.015 -1.318 64 HA ILE 75 HA ILE 75 -0.441 7.480 -2.797 65 HB ILE 75 HB ILE 75 -1.225 4.542 -2.892 66 HG12 ILE 75 2HG1 ILE 75 1.132 5.938 -1.610 67 HG13 ILE 75 1HG1 ILE 75 -0.299 5.410 -0.752 68 HG21 ILE 75 1HG2 ILE 75 1.168 5.991 -4.084 69 HG22 ILE 75 2HG2 ILE 75 -0.192 5.352 -5.007 70 HG23 ILE 75 3HG2 ILE 75 0.880 4.253 -4.144 71 HD11 ILE 75 1HD1 ILE 75 1.588 3.930 -0.462 72 HD12 ILE 75 2HD1 ILE 75 1.596 3.585 -2.207 73 HD13 ILE 75 3HD1 ILE 75 0.200 3.149 -1.196 74 H ASP 76 H ASP 76 -0.801 8.241 -4.724 75 HA ASP 76 HA ASP 76 -3.541 8.238 -5.682 76 HB2 ASP 76 2HB ASP 76 -2.441 10.383 -5.496 77 HB3 ASP 76 1HB ASP 76 -1.122 9.845 -6.523 78 H ARG 77 H ARG 77 -0.416 7.194 -6.694 79 HA ARG 77 HA ARG 77 -1.282 6.127 -9.258 80 HB2 ARG 77 2HB ARG 77 1.245 5.712 -7.627 81 HB3 ARG 77 1HB ARG 77 1.002 5.142 -9.268 82 HG2 ARG 77 2HG ARG 77 0.758 8.031 -8.621 83 HG3 ARG 77 1HG ARG 77 2.349 7.286 -8.827 84 HD2 ARG 77 2HD ARG 77 0.148 7.092 -10.872 85 HD3 ARG 77 1HD ARG 77 1.361 8.372 -10.892 86 HE ARG 77 HE ARG 77 2.707 5.948 -10.718 87 HH11 ARG 77 1HH1 ARG 77 0.643 7.559 -13.083 88 HH12 ARG 77 2HH1 ARG 77 1.432 6.898 -14.440 89 HH21 ARG 77 1HH2 ARG 77 3.793 5.017 -12.553 90 HH22 ARG 77 2HH2 ARG 77 3.221 5.364 -14.121 91 H GLU 78 H GLU 78 -0.881 3.708 -9.583 92 HA GLU 78 HA GLU 78 -2.072 2.081 -7.580 93 HB2 GLU 78 2HB GLU 78 -1.134 1.683 -10.244 94 HB3 GLU 78 1HB GLU 78 -0.258 0.553 -9.228 95 HG2 GLU 78 2HG GLU 78 -3.255 0.764 -9.155 96 HG3 GLU 78 1HG GLU 78 -2.411 -0.270 -10.299 97 H GLN 79 H GLN 79 -1.183 1.174 -5.862 98 HA GLN 79 HA GLN 79 1.291 2.040 -4.895 99 HB2 GLN 79 2HB GLN 79 -0.194 -0.457 -4.090 100 HB3 GLN 79 1HB GLN 79 1.062 0.346 -3.169 101 HG2 GLN 79 2HG GLN 79 -0.414 2.341 -3.016 102 HG3 GLN 79 1HG GLN 79 -1.684 1.398 -3.781 103 HE21 GLN 79 1HE2 GLN 79 -1.617 2.565 -1.107 104 HE22 GLN 79 2HE2 GLN 79 -1.833 1.240 -0.027 105 H SER 80 H SER 80 0.285 -0.870 -6.569 106 HA SER 80 HA SER 80 2.649 -2.345 -6.314 107 HB2 SER 80 2HB SER 80 0.743 -2.408 -8.654 108 HB3 SER 80 1HB SER 80 1.701 -3.745 -8.004 109 HG SER 80 HG SER 80 -0.629 -2.549 -7.055 110 H ALA 81 H ALA 81 1.563 -0.088 -8.813 111 HA ALA 81 HA ALA 81 3.822 -0.375 -10.486 112 HB1 ALA 81 1HB ALA 81 3.007 1.647 -11.603 113 HB2 ALA 81 2HB ALA 81 1.886 1.932 -10.271 114 HB3 ALA 81 3HB ALA 81 1.685 0.516 -11.305 115 H ALA 82 H ALA 82 2.931 1.911 -7.966 116 HA ALA 82 HA ALA 82 5.169 3.591 -8.247 117 HB1 ALA 82 1HB ALA 82 3.102 4.265 -7.095 118 HB2 ALA 82 2HB ALA 82 4.538 4.539 -6.116 119 HB3 ALA 82 3HB ALA 82 3.492 3.157 -5.777 120 H ILE 83 H ILE 83 4.614 0.710 -6.243 121 HA ILE 83 HA ILE 83 7.057 0.914 -4.844 122 HB ILE 83 HB ILE 83 5.415 -1.597 -5.407 123 HG12 ILE 83 2HG1 ILE 83 5.509 0.154 -2.941 124 HG13 ILE 83 1HG1 ILE 83 4.234 0.200 -4.150 125 HG21 ILE 83 1HG2 ILE 83 7.592 -1.090 -3.374 126 HG22 ILE 83 2HG2 ILE 83 7.737 -2.126 -4.792 127 HG23 ILE 83 3HG2 ILE 83 6.625 -2.562 -3.483 128 HD11 ILE 83 1HD1 ILE 83 4.938 -2.139 -2.404 129 HD12 ILE 83 2HD1 ILE 83 3.647 -2.111 -3.608 130 HD13 ILE 83 3HD1 ILE 83 3.559 -1.060 -2.192 131 H ARG 84 H ARG 84 6.116 -0.750 -7.825 132 HA ARG 84 HA ARG 84 8.589 -1.952 -8.305 133 HB2 ARG 84 2HB ARG 84 6.369 -1.140 -10.144 134 HB3 ARG 84 1HB ARG 84 7.838 -1.901 -10.745 135 HG2 ARG 84 2HG ARG 84 7.453 -3.836 -9.406 136 HG3 ARG 84 1HG ARG 84 6.063 -3.076 -8.631 137 HD2 ARG 84 2HD ARG 84 5.387 -4.672 -10.332 138 HD3 ARG 84 1HD ARG 84 4.903 -3.029 -10.749 139 HE ARG 84 HE ARG 84 7.230 -3.263 -12.044 140 HH11 ARG 84 1HH1 ARG 84 4.510 -5.544 -11.879 141 HH12 ARG 84 2HH1 ARG 84 4.624 -6.017 -13.500 142 HH21 ARG 84 1HH2 ARG 84 7.409 -3.959 -14.295 143 HH22 ARG 84 2HH2 ARG 84 6.296 -5.101 -14.897 144 H GLU 85 H GLU 85 7.322 1.194 -9.312 145 HA GLU 85 HA GLU 85 9.534 2.075 -10.773 146 HB2 GLU 85 2HB GLU 85 7.510 3.597 -9.136 147 HB3 GLU 85 1HB GLU 85 8.714 4.387 -10.142 148 HG2 GLU 85 2HG GLU 85 7.781 3.337 -12.122 149 HG3 GLU 85 1HG GLU 85 6.626 2.452 -11.130 150 H TRP 86 H TRP 86 8.803 2.448 -7.302 151 HA TRP 86 HA TRP 86 11.060 3.916 -6.606 152 HB2 TRP 86 2HB TRP 86 9.123 3.784 -5.170 153 HB3 TRP 86 1HB TRP 86 9.270 2.037 -5.059 154 HD1 TRP 86 HD TRP 86 10.753 5.272 -3.664 155 HE1 TRP 86 1HE TRP 86 12.159 4.683 -1.578 156 HE3 TRP 86 3HE TRP 86 10.591 0.200 -3.993 157 HZ2 TRP 86 2HZ TRP 86 13.054 2.377 -0.247 158 HZ3 TRP 86 3HZ TRP 86 11.751 -1.139 -2.254 159 HH2 TRP 86 HH TRP 86 12.946 -0.067 -0.439 160 H ALA 87 H ALA 87 10.388 0.463 -6.639 161 HA ALA 87 HA ALA 87 12.743 -0.527 -5.581 162 HB1 ALA 87 1HB ALA 87 10.765 -1.894 -5.972 163 HB2 ALA 87 2HB ALA 87 12.166 -2.610 -6.775 164 HB3 ALA 87 3HB ALA 87 10.974 -1.729 -7.706 165 H ARG 88 H ARG 88 11.908 0.198 -8.939 166 HA ARG 88 HA ARG 88 14.463 -0.648 -9.840 167 HB2 ARG 88 2HB ARG 88 12.364 0.876 -11.363 168 HB3 ARG 88 1HB ARG 88 13.831 0.199 -12.059 169 HG2 ARG 88 2HG ARG 88 12.930 -2.023 -11.018 170 HG3 ARG 88 1HG ARG 88 11.392 -1.174 -11.062 171 HD2 ARG 88 2HD ARG 88 13.235 -1.619 -13.377 172 HD3 ARG 88 1HD ARG 88 11.748 -2.506 -13.069 173 HE ARG 88 HE ARG 88 10.987 0.119 -13.194 174 HH11 ARG 88 1HH1 ARG 88 12.782 -1.980 -15.395 175 HH12 ARG 88 2HH1 ARG 88 12.110 -1.303 -16.811 176 HH21 ARG 88 1HH2 ARG 88 10.128 1.056 -15.084 177 HH22 ARG 88 2HH2 ARG 88 10.565 0.492 -16.646 178 H ARG 89 H ARG 89 13.253 2.364 -8.709 179 HA ARG 89 HA ARG 89 15.459 3.875 -9.802 180 HB2 ARG 89 2HB ARG 89 13.692 4.611 -7.451 181 HB3 ARG 89 1HB ARG 89 14.776 5.687 -8.312 182 HG2 ARG 89 2HG ARG 89 12.253 4.429 -9.351 183 HG3 ARG 89 1HG ARG 89 12.523 6.128 -8.971 184 HD2 ARG 89 2HD ARG 89 14.221 6.219 -10.753 185 HD3 ARG 89 1HD ARG 89 13.871 4.534 -11.137 186 HE ARG 89 HE ARG 89 11.506 6.062 -11.156 187 HH11 ARG 89 1HH1 ARG 89 14.375 5.445 -13.149 188 HH12 ARG 89 2HH1 ARG 89 13.604 5.856 -14.611 189 HH21 ARG 89 1HH2 ARG 89 10.470 6.612 -13.118 190 HH22 ARG 89 2HH2 ARG 89 11.298 6.525 -14.595 191 H ASN 90 H ASN 90 14.825 2.031 -6.960 192 HA ASN 90 HA ASN 90 17.217 3.049 -5.653 193 HB2 ASN 90 2HB ASN 90 14.896 1.461 -4.674 194 HB3 ASN 90 1HB ASN 90 16.368 1.586 -3.704 195 HD21 ASN 90 1HD2 ASN 90 13.674 3.298 -5.065 196 HD22 ASN 90 2HD2 ASN 90 13.835 4.725 -4.112 197 H GLY 91 H GLY 91 16.337 0.280 -7.429 198 HA2 GLY 91 2HA GLY 91 18.193 -0.996 -8.322 199 HA3 GLY 91 1HA GLY 91 19.020 -0.768 -6.796 200 H HIS 92 H HIS 92 15.680 -1.616 -6.670 201 HA HIS 92 HA HIS 92 16.430 -4.202 -5.599 202 HB2 HIS 92 2HB HIS 92 13.804 -2.705 -5.628 203 HB3 HIS 92 1HB HIS 92 14.023 -4.300 -4.924 204 HD1 HIS 92 1HD HIS 92 14.902 -4.340 -2.491 205 HD2 HIS 92 2HD HIS 92 15.104 -0.610 -4.298 206 HE1 HIS 92 1HE HIS 92 15.497 -2.726 -0.668 207 H ASN 93 H ASN 93 16.044 -6.021 -6.644 208 HA ASN 93 HA ASN 93 15.058 -5.850 -9.368 209 HB2 ASN 93 2HB ASN 93 16.382 -8.090 -7.821 210 HB3 ASN 93 1HB ASN 93 15.712 -8.322 -9.429 211 HD21 ASN 93 1HD2 ASN 93 18.265 -6.799 -7.570 212 HD22 ASN 93 2HD2 ASN 93 19.259 -6.417 -8.911 213 H VAL 94 H VAL 94 12.943 -5.822 -9.555 214 HA VAL 94 HA VAL 94 11.341 -7.561 -7.861 215 HB VAL 94 HB VAL 94 10.554 -5.186 -9.586 216 HG11 VAL 94 1HG1 VAL 94 8.716 -6.784 -9.572 217 HG12 VAL 94 2HG1 VAL 94 8.348 -5.409 -8.510 218 HG13 VAL 94 3HG1 VAL 94 8.869 -6.941 -7.819 219 HG21 VAL 94 1HG2 VAL 94 11.733 -4.610 -7.556 220 HG22 VAL 94 2HG2 VAL 94 10.599 -5.574 -6.609 221 HG23 VAL 94 3HG2 VAL 94 10.040 -4.131 -7.453 222 H SER 95 H SER 95 10.395 -9.279 -8.653 223 HA SER 95 HA SER 95 10.927 -10.011 -11.377 224 HB2 SER 95 2HB SER 95 11.411 -11.601 -9.607 225 HB3 SER 95 1HB SER 95 9.738 -11.547 -9.064 226 HG SER 95 HG SER 95 9.935 -13.314 -10.302 227 H THR 96 H THR 96 9.523 -9.601 -12.932 228 HA THR 96 HA THR 96 6.826 -8.926 -12.504 229 HB THR 96 HB THR 96 7.697 -9.720 -15.183 230 HG1 THR 96 1HG THR 96 9.374 -8.299 -15.327 231 HG21 THR 96 1HG2 THR 96 6.759 -7.106 -13.971 232 HG22 THR 96 2HG2 THR 96 5.727 -8.312 -14.740 233 HG23 THR 96 3HG2 THR 96 6.921 -7.436 -15.693 234 H ARG 97 H ARG 97 8.568 -11.866 -12.929 235 HA ARG 97 HA ARG 97 6.254 -13.323 -13.922 236 HB2 ARG 97 2HB ARG 97 9.056 -14.236 -13.285 237 HB3 ARG 97 1HB ARG 97 7.789 -15.300 -13.875 238 HG2 ARG 97 2HG ARG 97 7.638 -14.037 -15.933 239 HG3 ARG 97 1HG ARG 97 8.839 -12.889 -15.346 240 HD2 ARG 97 2HD ARG 97 9.301 -15.833 -15.823 241 HD3 ARG 97 1HD ARG 97 9.803 -14.529 -16.900 242 HE ARG 97 HE ARG 97 10.762 -14.494 -14.144 243 HH11 ARG 97 1HH1 ARG 97 11.537 -15.154 -17.536 244 HH12 ARG 97 2HH1 ARG 97 13.210 -14.957 -17.322 245 HH21 ARG 97 1HH2 ARG 97 12.994 -14.298 -13.852 246 HH22 ARG 97 2HH2 ARG 97 14.078 -14.480 -15.176 247 H GLY 98 H GLY 98 7.359 -12.358 -10.971 248 HA2 GLY 98 2HA GLY 98 5.994 -14.612 -9.643 249 HA3 GLY 98 1HA GLY 98 7.337 -13.742 -8.917 250 H ARG 99 H ARG 99 6.924 -12.049 -7.692 251 HA ARG 99 HA ARG 99 4.524 -10.475 -7.973 252 HB2 ARG 99 2HB ARG 99 3.873 -12.344 -6.395 253 HB3 ARG 99 1HB ARG 99 5.229 -11.903 -5.368 254 HG2 ARG 99 2HG ARG 99 4.152 -9.608 -5.170 255 HG3 ARG 99 1HG ARG 99 2.729 -10.317 -5.924 256 HD2 ARG 99 2HD ARG 99 2.564 -11.932 -4.101 257 HD3 ARG 99 1HD ARG 99 4.018 -11.263 -3.356 258 HE ARG 99 HE ARG 99 1.515 -9.760 -3.741 259 HH11 ARG 99 1HH1 ARG 99 4.360 -10.493 -1.725 260 HH12 ARG 99 2HH1 ARG 99 3.889 -9.420 -0.475 261 HH21 ARG 99 1HH2 ARG 99 0.915 -8.321 -1.993 262 HH22 ARG 99 2HH2 ARG 99 1.922 -8.168 -0.630 263 H ILE 100 H ILE 100 4.865 -8.483 -6.714 264 HA ILE 100 HA ILE 100 7.532 -7.619 -6.499 265 HB ILE 100 HB ILE 100 5.112 -6.500 -5.043 266 HG12 ILE 100 2HG1 ILE 100 6.164 -5.774 -7.785 267 HG13 ILE 100 1HG1 ILE 100 4.683 -6.675 -7.469 268 HG21 ILE 100 1HG2 ILE 100 6.374 -4.381 -5.081 269 HG22 ILE 100 2HG2 ILE 100 7.717 -5.201 -5.875 270 HG23 ILE 100 3HG2 ILE 100 7.260 -5.651 -4.233 271 HD11 ILE 100 1HD1 ILE 100 3.765 -4.732 -6.316 272 HD12 ILE 100 2HD1 ILE 100 4.229 -4.348 -7.980 273 HD13 ILE 100 3HD1 ILE 100 5.268 -3.861 -6.637 274 HA PRO 101 HA PRO 101 8.360 -9.938 -2.765 275 HB2 PRO 101 2HB PRO 101 10.553 -7.999 -2.378 276 HB3 PRO 101 1HB PRO 101 10.646 -9.763 -2.536 277 HG2 PRO 101 2HG PRO 101 11.476 -8.165 -4.490 278 HG3 PRO 101 1HG PRO 101 10.685 -9.723 -4.806 279 HD2 PRO 101 2HD PRO 101 9.554 -6.974 -5.060 280 HD3 PRO 101 1HD PRO 101 9.274 -8.426 -6.040 281 H ALA 102 H ALA 102 7.572 -9.727 -0.830 282 HA ALA 102 HA ALA 102 6.216 -7.470 0.104 283 HB1 ALA 102 1HB ALA 102 5.722 -9.754 0.814 284 HB2 ALA 102 2HB ALA 102 6.018 -8.709 2.202 285 HB3 ALA 102 3HB ALA 102 7.268 -9.827 1.653 286 H ASP 103 H ASP 103 9.421 -8.577 0.532 287 HA ASP 103 HA ASP 103 10.348 -6.947 2.622 288 HB2 ASP 103 2HB ASP 103 11.576 -8.888 1.739 289 HB3 ASP 103 1HB ASP 103 11.840 -8.034 0.224 290 H VAL 104 H VAL 104 10.085 -6.409 -0.854 291 HA VAL 104 HA VAL 104 11.442 -3.875 -0.842 292 HB VAL 104 HB VAL 104 9.771 -5.301 -2.963 293 HG11 VAL 104 1HG1 VAL 104 11.364 -2.759 -3.305 294 HG12 VAL 104 2HG1 VAL 104 9.605 -2.824 -3.224 295 HG13 VAL 104 3HG1 VAL 104 10.461 -3.610 -4.556 296 HG21 VAL 104 1HG2 VAL 104 12.694 -4.678 -2.806 297 HG22 VAL 104 2HG2 VAL 104 11.889 -5.559 -4.102 298 HG23 VAL 104 3HG2 VAL 104 11.978 -6.263 -2.477 299 H ILE 105 H ILE 105 8.150 -5.043 -0.922 300 HA ILE 105 HA ILE 105 6.773 -2.609 -1.099 301 HB ILE 105 HB ILE 105 5.981 -5.173 0.323 302 HG12 ILE 105 2HG1 ILE 105 5.275 -4.186 -2.458 303 HG13 ILE 105 1HG1 ILE 105 6.502 -5.390 -2.096 304 HG21 ILE 105 1HG2 ILE 105 4.633 -3.329 1.138 305 HG22 ILE 105 2HG2 ILE 105 3.650 -4.385 0.119 306 HG23 ILE 105 3HG2 ILE 105 4.241 -2.841 -0.504 307 HD11 ILE 105 1HD1 ILE 105 3.549 -5.673 -1.549 308 HD12 ILE 105 2HD1 ILE 105 4.796 -6.900 -1.274 309 HD13 ILE 105 3HD1 ILE 105 4.431 -6.370 -2.905 310 H ASP 106 H ASP 106 7.965 -4.409 1.649 311 HA ASP 106 HA ASP 106 6.940 -2.808 3.734 312 HB2 ASP 106 2HB ASP 106 7.761 -5.133 3.951 313 HB3 ASP 106 1HB ASP 106 9.384 -4.548 3.626 314 H ALA 107 H ALA 107 10.058 -2.949 2.089 315 HA ALA 107 HA ALA 107 11.339 -0.883 3.476 316 HB1 ALA 107 1HB ALA 107 11.780 -1.862 0.664 317 HB2 ALA 107 2HB ALA 107 12.493 -2.556 2.115 318 HB3 ALA 107 3HB ALA 107 12.934 -0.918 1.615 319 H TYR 108 H TYR 108 9.332 -0.918 0.599 320 HA TYR 108 HA TYR 108 9.566 1.731 -0.220 321 HB2 TYR 108 2HB TYR 108 8.467 0.092 -1.624 322 HB3 TYR 108 1HB TYR 108 7.241 -0.196 -0.402 323 HD1 TYR 108 1HD TYR 108 5.316 1.252 -0.213 324 HD2 TYR 108 2HD TYR 108 8.430 2.168 -2.955 325 HE1 TYR 108 1HE TYR 108 3.869 2.922 -1.281 326 HE2 TYR 108 2HE TYR 108 7.001 3.834 -4.036 327 HH TYR 108 HH TYR 108 4.672 4.386 -4.268 328 H HIS 109 H HIS 109 7.092 0.267 1.870 329 HA HIS 109 HA HIS 109 5.878 2.731 2.420 330 HB2 HIS 109 2HB HIS 109 5.614 0.094 3.849 331 HB3 HIS 109 1HB HIS 109 4.696 1.524 4.314 332 HD1 HIS 109 1HD HIS 109 2.899 2.399 2.540 333 HD2 HIS 109 2HD HIS 109 4.714 -1.218 1.631 334 HE1 HIS 109 1HE HIS 109 1.577 1.413 0.655 335 H ALA 110 H ALA 110 8.531 1.127 3.880 336 HA ALA 110 HA ALA 110 8.620 2.780 6.208 337 HB1 ALA 110 1HB ALA 110 10.803 1.118 4.934 338 HB2 ALA 110 2HB ALA 110 9.656 0.541 6.127 339 HB3 ALA 110 3HB ALA 110 10.827 1.792 6.565 340 H ALA 111 H ALA 111 10.253 2.806 3.050 341 HA ALA 111 HA ALA 111 11.908 5.043 3.713 342 HB1 ALA 111 1HB ALA 111 12.756 4.893 1.470 343 HB2 ALA 111 2HB ALA 111 11.434 3.817 1.014 344 HB3 ALA 111 3HB ALA 111 12.646 3.282 2.178 345 H THR 112 H THR 112 8.877 4.730 1.875 346 HA THR 112 HA THR 112 9.158 7.570 1.536 347 HB THR 112 HB THR 112 9.048 6.446 -0.647 348 HG1 THR 112 1HG THR 112 7.877 8.548 -0.116 349 HG21 THR 112 1HG2 THR 112 6.270 5.538 0.160 350 HG22 THR 112 2HG2 THR 112 7.667 4.498 -0.075 351 HG23 THR 112 3HG2 THR 112 6.976 5.363 -1.444 Start of MODEL 3 1 H MET 65 1HT MET 65 5.974 14.599 -7.361 2 HA MET 65 HA MET 65 7.376 12.921 -8.512 3 HB2 MET 65 2HB MET 65 7.084 15.164 -9.547 4 HB3 MET 65 1HB MET 65 8.480 15.734 -8.642 5 HG2 MET 65 2HG MET 65 9.853 14.008 -9.798 6 HG3 MET 65 1HG MET 65 8.455 13.643 -10.801 7 HE1 MET 65 1HE MET 65 10.066 14.028 -12.889 8 HE2 MET 65 2HE MET 65 11.390 14.483 -11.820 9 HE3 MET 65 3HE MET 65 10.953 15.527 -13.170 10 H SER 66 H SER 66 9.707 15.190 -7.139 11 HA SER 66 HA SER 66 11.323 12.841 -6.513 12 HB2 SER 66 2HB SER 66 12.088 15.375 -7.876 13 HB3 SER 66 1HB SER 66 13.238 14.068 -7.484 14 HG SER 66 HG SER 66 12.536 13.039 -9.218 15 H GLY 67 H GLY 67 11.266 13.005 -4.324 16 HA2 GLY 67 2HA GLY 67 12.036 13.797 -2.298 17 HA3 GLY 67 1HA GLY 67 12.517 15.297 -3.081 18 H SER 68 H SER 68 10.520 16.437 -4.044 19 HA SER 68 HA SER 68 8.729 16.970 -1.832 20 HB2 SER 68 2HB SER 68 9.021 18.374 -4.485 21 HB3 SER 68 1HB SER 68 8.254 19.004 -3.021 22 HG SER 68 HG SER 68 10.475 18.499 -2.103 23 H GLY 69 H GLY 69 6.461 16.919 -2.108 24 HA2 GLY 69 2HA GLY 69 4.432 16.435 -3.109 25 HA3 GLY 69 1HA GLY 69 5.288 16.086 -4.603 26 H ARG 70 H ARG 70 5.105 14.782 -1.315 27 HA ARG 70 HA ARG 70 5.568 12.113 -2.320 28 HB2 ARG 70 2HB ARG 70 5.195 13.197 0.430 29 HB3 ARG 70 1HB ARG 70 5.344 11.478 0.079 30 HG2 ARG 70 2HG ARG 70 7.517 12.001 -1.053 31 HG3 ARG 70 1HG ARG 70 7.376 13.638 -0.390 32 HD2 ARG 70 2HD ARG 70 7.230 12.725 1.837 33 HD3 ARG 70 1HD ARG 70 7.288 11.104 1.107 34 HE ARG 70 HE ARG 70 9.542 12.148 0.205 35 HH11 ARG 70 1HH1 ARG 70 8.292 12.068 3.525 36 HH12 ARG 70 2HH1 ARG 70 9.820 12.027 4.263 37 HH21 ARG 70 1HH2 ARG 70 11.655 12.067 1.237 38 HH22 ARG 70 2HH2 ARG 70 11.779 12.002 2.927 39 H GLY 71 H GLY 71 2.917 14.058 -1.271 40 HA2 GLY 71 2HA GLY 71 1.133 11.953 -2.144 41 HA3 GLY 71 1HA GLY 71 1.003 12.421 -0.452 42 H ARG 72 H ARG 72 1.031 13.836 -3.699 43 HA ARG 72 HA ARG 72 -0.508 16.105 -2.796 44 HB2 ARG 72 2HB ARG 72 0.083 15.165 -5.620 45 HB3 ARG 72 1HB ARG 72 -0.733 16.663 -5.219 46 HG2 ARG 72 2HG ARG 72 2.110 15.949 -4.539 47 HG3 ARG 72 1HG ARG 72 1.580 17.061 -5.800 48 HD2 ARG 72 2HD ARG 72 0.517 18.457 -4.024 49 HD3 ARG 72 1HD ARG 72 1.222 17.369 -2.827 50 HE ARG 72 HE ARG 72 3.091 18.475 -4.689 51 HH11 ARG 72 1HH1 ARG 72 1.539 18.959 -1.541 52 HH12 ARG 72 2HH1 ARG 72 2.739 20.037 -0.982 53 HH21 ARG 72 1HH2 ARG 72 4.728 19.941 -3.883 54 HH22 ARG 72 2HH2 ARG 72 4.550 20.580 -2.311 55 H GLY 73 H GLY 73 -2.199 15.066 -1.800 56 HA2 GLY 73 2HA GLY 73 -4.484 14.576 -1.825 57 HA3 GLY 73 1HA GLY 73 -4.398 14.373 -3.577 58 H ALA 74 H ALA 74 -2.921 12.506 -4.213 59 HA ALA 74 HA ALA 74 -3.103 10.174 -2.472 60 HB1 ALA 74 1HB ALA 74 -4.202 8.864 -4.221 61 HB2 ALA 74 2HB ALA 74 -4.346 10.306 -5.225 62 HB3 ALA 74 3HB ALA 74 -5.235 10.197 -3.708 63 H ILE 75 H ILE 75 -2.245 8.263 -4.052 64 HA ILE 75 HA ILE 75 0.365 9.151 -4.752 65 HB ILE 75 HB ILE 75 -0.878 6.392 -5.009 66 HG12 ILE 75 2HG1 ILE 75 0.699 5.989 -3.030 67 HG13 ILE 75 1HG1 ILE 75 0.594 7.713 -2.762 68 HG21 ILE 75 1HG2 ILE 75 1.071 6.625 -6.412 69 HG22 ILE 75 2HG2 ILE 75 1.461 5.597 -5.028 70 HG23 ILE 75 3HG2 ILE 75 1.995 7.280 -5.063 71 HD11 ILE 75 1HD1 ILE 75 -1.840 7.527 -2.479 72 HD12 ILE 75 2HD1 ILE 75 -0.978 6.504 -1.329 73 HD13 ILE 75 3HD1 ILE 75 -1.730 5.789 -2.752 74 H ASP 76 H ASP 76 1.161 9.227 -6.775 75 HA ASP 76 HA ASP 76 -0.634 9.898 -8.890 76 HB2 ASP 76 2HB ASP 76 1.572 10.950 -8.679 77 HB3 ASP 76 1HB ASP 76 2.340 9.397 -8.976 78 H ARG 77 H ARG 77 1.084 7.064 -8.051 79 HA ARG 77 HA ARG 77 0.275 5.697 -10.539 80 HB2 ARG 77 2HB ARG 77 2.471 4.983 -8.594 81 HB3 ARG 77 1HB ARG 77 2.128 4.170 -10.112 82 HG2 ARG 77 2HG ARG 77 2.957 7.043 -9.880 83 HG3 ARG 77 1HG ARG 77 4.076 5.699 -10.145 84 HD2 ARG 77 2HD ARG 77 3.207 5.255 -12.252 85 HD3 ARG 77 1HD ARG 77 1.727 6.161 -11.940 86 HE ARG 77 HE ARG 77 2.921 8.154 -12.107 87 HH11 ARG 77 1HH1 ARG 77 5.061 5.414 -12.866 88 HH12 ARG 77 2HH1 ARG 77 5.905 6.241 -14.076 89 HH21 ARG 77 1HH2 ARG 77 4.197 9.296 -13.715 90 HH22 ARG 77 2HH2 ARG 77 5.450 8.480 -14.548 91 H GLU 78 H GLU 78 -0.064 3.349 -10.157 92 HA GLU 78 HA GLU 78 -1.797 2.729 -7.954 93 HB2 GLU 78 2HB GLU 78 -0.321 0.954 -9.914 94 HB3 GLU 78 1HB GLU 78 -1.580 0.410 -8.832 95 HG2 GLU 78 2HG GLU 78 -3.217 1.716 -9.991 96 HG3 GLU 78 1HG GLU 78 -1.969 2.438 -11.012 97 H GLN 79 H GLN 79 -1.145 1.453 -6.102 98 HA GLN 79 HA GLN 79 1.407 1.991 -5.202 99 HB2 GLN 79 2HB GLN 79 -0.622 0.052 -4.172 100 HB3 GLN 79 1HB GLN 79 0.967 0.198 -3.432 101 HG2 GLN 79 2HG GLN 79 -1.030 2.437 -3.747 102 HG3 GLN 79 1HG GLN 79 -0.718 1.525 -2.273 103 HE21 GLN 79 1HE2 GLN 79 -0.075 3.332 -1.098 104 HE22 GLN 79 2HE2 GLN 79 1.402 4.164 -1.417 105 H SER 80 H SER 80 0.266 -1.078 -6.558 106 HA SER 80 HA SER 80 2.656 -2.465 -6.256 107 HB2 SER 80 2HB SER 80 0.650 -2.691 -8.496 108 HB3 SER 80 1HB SER 80 1.788 -3.942 -7.982 109 HG SER 80 HG SER 80 -0.240 -4.300 -7.075 110 H ALA 81 H ALA 81 1.647 -0.272 -8.834 111 HA ALA 81 HA ALA 81 3.913 -0.714 -10.499 112 HB1 ALA 81 1HB ALA 81 1.818 0.200 -11.389 113 HB2 ALA 81 2HB ALA 81 3.171 1.290 -11.693 114 HB3 ALA 81 3HB ALA 81 2.029 1.647 -10.399 115 H ALA 82 H ALA 82 3.033 1.690 -8.092 116 HA ALA 82 HA ALA 82 5.266 3.352 -8.288 117 HB1 ALA 82 1HB ALA 82 4.646 4.193 -6.107 118 HB2 ALA 82 2HB ALA 82 3.638 2.778 -5.819 119 HB3 ALA 82 3HB ALA 82 3.185 3.937 -7.064 120 H ILE 83 H ILE 83 4.658 0.536 -6.207 121 HA ILE 83 HA ILE 83 7.121 0.675 -4.856 122 HB ILE 83 HB ILE 83 5.387 -1.789 -5.306 123 HG12 ILE 83 2HG1 ILE 83 5.503 0.117 -2.953 124 HG13 ILE 83 1HG1 ILE 83 4.242 0.115 -4.178 125 HG21 ILE 83 1HG2 ILE 83 6.538 -2.688 -3.322 126 HG22 ILE 83 2HG2 ILE 83 7.545 -1.239 -3.262 127 HG23 ILE 83 3HG2 ILE 83 7.684 -2.350 -4.624 128 HD11 ILE 83 1HD1 ILE 83 3.587 -2.134 -3.491 129 HD12 ILE 83 2HD1 ILE 83 3.519 -0.989 -2.147 130 HD13 ILE 83 3HD1 ILE 83 4.866 -2.121 -2.277 131 H ARG 84 H ARG 84 6.139 -1.052 -7.793 132 HA ARG 84 HA ARG 84 8.557 -2.428 -8.226 133 HB2 ARG 84 2HB ARG 84 6.367 -1.503 -10.035 134 HB3 ARG 84 1HB ARG 84 7.832 -2.198 -10.706 135 HG2 ARG 84 2HG ARG 84 7.428 -4.278 -9.607 136 HG3 ARG 84 1HG ARG 84 6.075 -3.590 -8.700 137 HD2 ARG 84 2HD ARG 84 4.778 -3.342 -10.573 138 HD3 ARG 84 1HD ARG 84 6.128 -3.578 -11.697 139 HE ARG 84 HE ARG 84 5.579 -5.868 -10.063 140 HH11 ARG 84 1HH1 ARG 84 4.568 -4.151 -13.022 141 HH12 ARG 84 2HH1 ARG 84 3.959 -5.539 -13.768 142 HH21 ARG 84 1HH2 ARG 84 4.712 -7.757 -11.121 143 HH22 ARG 84 2HH2 ARG 84 3.997 -7.625 -12.666 144 H GLU 85 H GLU 85 7.464 0.736 -9.378 145 HA GLU 85 HA GLU 85 9.828 1.326 -10.756 146 HB2 GLU 85 2HB GLU 85 7.708 3.088 -9.610 147 HB3 GLU 85 1HB GLU 85 9.036 3.720 -10.589 148 HG2 GLU 85 2HG GLU 85 8.260 2.150 -12.401 149 HG3 GLU 85 1HG GLU 85 6.838 1.837 -11.408 150 H TRP 86 H TRP 86 8.819 2.012 -7.427 151 HA TRP 86 HA TRP 86 10.972 3.617 -6.677 152 HB2 TRP 86 2HB TRP 86 8.917 3.434 -5.362 153 HB3 TRP 86 1HB TRP 86 9.196 1.723 -5.112 154 HD1 TRP 86 HD TRP 86 10.125 5.143 -3.716 155 HE1 TRP 86 1HE TRP 86 11.465 4.839 -1.585 156 HE3 TRP 86 3HE TRP 86 10.769 0.146 -3.985 157 HZ2 TRP 86 2HZ TRP 86 12.686 2.683 -0.147 158 HZ3 TRP 86 3HZ TRP 86 12.049 -1.017 -2.177 159 HH2 TRP 86 HH TRP 86 12.971 0.249 -0.306 160 H ALA 87 H ALA 87 10.442 0.131 -6.603 161 HA ALA 87 HA ALA 87 12.793 -0.717 -5.413 162 HB1 ALA 87 1HB ALA 87 12.359 -2.864 -6.546 163 HB2 ALA 87 2HB ALA 87 11.204 -2.061 -7.598 164 HB3 ALA 87 3HB ALA 87 10.881 -2.176 -5.874 165 H ARG 88 H ARG 88 12.058 -0.313 -8.837 166 HA ARG 88 HA ARG 88 14.614 -0.929 -9.831 167 HB2 ARG 88 2HB ARG 88 12.437 0.803 -11.000 168 HB3 ARG 88 1HB ARG 88 13.909 0.376 -11.859 169 HG2 ARG 88 2HG ARG 88 11.883 -1.607 -10.827 170 HG3 ARG 88 1HG ARG 88 11.966 -1.015 -12.488 171 HD2 ARG 88 2HD ARG 88 14.110 -2.581 -11.033 172 HD3 ARG 88 1HD ARG 88 13.054 -3.179 -12.312 173 HE ARG 88 HE ARG 88 14.389 -0.931 -13.275 174 HH11 ARG 88 1HH1 ARG 88 15.099 -4.302 -12.436 175 HH12 ARG 88 2HH1 ARG 88 16.493 -4.396 -13.394 176 HH21 ARG 88 1HH2 ARG 88 16.323 -1.077 -14.617 177 HH22 ARG 88 2HH2 ARG 88 17.196 -2.539 -14.651 178 H ARG 89 H ARG 89 13.239 2.145 -8.821 179 HA ARG 89 HA ARG 89 15.402 3.768 -9.656 180 HB2 ARG 89 2HB ARG 89 13.223 4.257 -7.674 181 HB3 ARG 89 1HB ARG 89 14.387 5.467 -8.189 182 HG2 ARG 89 2HG ARG 89 13.664 5.145 -10.516 183 HG3 ARG 89 1HG ARG 89 12.438 4.011 -9.943 184 HD2 ARG 89 2HD ARG 89 11.527 5.733 -8.530 185 HD3 ARG 89 1HD ARG 89 12.772 6.838 -9.155 186 HE ARG 89 HE ARG 89 11.091 5.626 -11.165 187 HH11 ARG 89 1HH1 ARG 89 11.403 8.339 -8.992 188 HH12 ARG 89 2HH1 ARG 89 10.611 9.473 -9.991 189 HH21 ARG 89 1HH2 ARG 89 9.879 7.081 -12.541 190 HH22 ARG 89 2HH2 ARG 89 9.652 8.695 -12.090 191 H ASN 90 H ASN 90 14.792 1.957 -6.775 192 HA ASN 90 HA ASN 90 17.044 3.173 -5.404 193 HB2 ASN 90 2HB ASN 90 14.977 1.172 -4.617 194 HB3 ASN 90 1HB ASN 90 16.451 1.306 -3.648 195 HD21 ASN 90 1HD2 ASN 90 13.559 2.875 -4.709 196 HD22 ASN 90 2HD2 ASN 90 13.526 4.124 -3.537 197 H GLY 91 H GLY 91 16.343 0.304 -7.191 198 HA2 GLY 91 2HA GLY 91 18.278 -0.684 -8.328 199 HA3 GLY 91 1HA GLY 91 19.171 -0.478 -6.834 200 H HIS 92 H HIS 92 15.881 -1.620 -6.716 201 HA HIS 92 HA HIS 92 16.830 -4.250 -5.892 202 HB2 HIS 92 2HB HIS 92 14.114 -2.923 -5.634 203 HB3 HIS 92 1HB HIS 92 14.524 -4.522 -5.036 204 HD1 HIS 92 1HD HIS 92 15.610 -4.591 -2.661 205 HD2 HIS 92 2HD HIS 92 15.219 -0.781 -4.259 206 HE1 HIS 92 1HE HIS 92 16.107 -2.996 -0.789 207 H ASN 93 H ASN 93 16.593 -5.865 -7.327 208 HA ASN 93 HA ASN 93 15.140 -5.234 -9.733 209 HB2 ASN 93 2HB ASN 93 17.133 -7.389 -9.113 210 HB3 ASN 93 1HB ASN 93 16.132 -7.461 -10.555 211 HD21 ASN 93 1HD2 ASN 93 17.903 -7.301 -11.867 212 HD22 ASN 93 2HD2 ASN 93 18.800 -5.849 -12.099 213 H VAL 94 H VAL 94 13.126 -5.374 -9.315 214 HA VAL 94 HA VAL 94 11.941 -7.829 -8.281 215 HB VAL 94 HB VAL 94 10.733 -5.118 -8.965 216 HG11 VAL 94 1HG1 VAL 94 8.691 -5.901 -7.886 217 HG12 VAL 94 2HG1 VAL 94 9.408 -7.497 -7.665 218 HG13 VAL 94 3HG1 VAL 94 9.081 -6.894 -9.293 219 HG21 VAL 94 1HG2 VAL 94 10.465 -4.869 -6.549 220 HG22 VAL 94 2HG2 VAL 94 12.162 -5.084 -6.994 221 HG23 VAL 94 3HG2 VAL 94 11.255 -6.427 -6.303 222 H SER 95 H SER 95 10.966 -9.248 -9.625 223 HA SER 95 HA SER 95 11.118 -8.693 -12.474 224 HB2 SER 95 2HB SER 95 12.121 -10.792 -11.580 225 HB3 SER 95 1HB SER 95 10.534 -11.283 -11.002 226 HG SER 95 HG SER 95 11.631 -11.377 -13.479 227 H THR 96 H THR 96 9.259 -9.312 -13.812 228 HA THR 96 HA THR 96 6.768 -8.578 -12.554 229 HB THR 96 HB THR 96 5.978 -8.723 -15.006 230 HG1 THR 96 1HG THR 96 8.196 -8.214 -16.192 231 HG21 THR 96 1HG2 THR 96 6.916 -6.514 -15.505 232 HG22 THR 96 2HG2 THR 96 8.121 -6.740 -14.235 233 HG23 THR 96 3HG2 THR 96 6.410 -6.619 -13.820 234 H ARG 97 H ARG 97 8.416 -11.301 -12.753 235 HA ARG 97 HA ARG 97 6.073 -12.941 -13.247 236 HB2 ARG 97 2HB ARG 97 9.007 -13.634 -13.315 237 HB3 ARG 97 1HB ARG 97 7.733 -14.852 -13.339 238 HG2 ARG 97 2HG ARG 97 8.018 -12.649 -15.365 239 HG3 ARG 97 1HG ARG 97 8.625 -14.293 -15.579 240 HD2 ARG 97 2HD ARG 97 6.402 -15.195 -15.434 241 HD3 ARG 97 1HD ARG 97 5.729 -13.625 -15.026 242 HE ARG 97 HE ARG 97 6.423 -12.895 -17.242 243 HH11 ARG 97 1HH1 ARG 97 6.050 -16.396 -16.717 244 HH12 ARG 97 2HH1 ARG 97 5.545 -16.706 -18.304 245 HH21 ARG 97 1HH2 ARG 97 5.705 -13.365 -19.423 246 HH22 ARG 97 2HH2 ARG 97 5.374 -14.972 -19.858 247 H GLY 98 H GLY 98 5.008 -12.993 -11.438 248 HA2 GLY 98 2HA GLY 98 4.907 -14.551 -9.537 249 HA3 GLY 98 1HA GLY 98 6.432 -13.835 -9.021 250 H ARG 99 H ARG 99 6.334 -12.219 -7.694 251 HA ARG 99 HA ARG 99 4.005 -10.474 -7.621 252 HB2 ARG 99 2HB ARG 99 3.846 -10.668 -5.197 253 HB3 ARG 99 1HB ARG 99 3.539 -12.223 -5.960 254 HG2 ARG 99 2HG ARG 99 5.683 -13.036 -5.363 255 HG3 ARG 99 1HG ARG 99 6.210 -11.432 -4.853 256 HD2 ARG 99 2HD ARG 99 4.018 -13.041 -3.565 257 HD3 ARG 99 1HD ARG 99 5.684 -12.904 -3.005 258 HE ARG 99 HE ARG 99 4.847 -10.325 -3.181 259 HH11 ARG 99 1HH1 ARG 99 3.765 -13.181 -1.408 260 HH12 ARG 99 2HH1 ARG 99 3.015 -12.316 -0.150 261 HH21 ARG 99 1HH2 ARG 99 3.821 -9.108 -1.429 262 HH22 ARG 99 2HH2 ARG 99 3.071 -9.964 -0.161 263 H ILE 100 H ILE 100 4.521 -8.680 -6.008 264 HA ILE 100 HA ILE 100 7.266 -7.854 -6.316 265 HB ILE 100 HB ILE 100 4.986 -6.499 -4.814 266 HG12 ILE 100 2HG1 ILE 100 5.918 -6.022 -7.644 267 HG13 ILE 100 1HG1 ILE 100 4.438 -6.871 -7.208 268 HG21 ILE 100 1HG2 ILE 100 6.317 -4.458 -5.130 269 HG22 ILE 100 2HG2 ILE 100 7.569 -5.387 -5.926 270 HG23 ILE 100 3HG2 ILE 100 7.225 -5.662 -4.206 271 HD11 ILE 100 1HD1 ILE 100 5.101 -4.019 -6.603 272 HD12 ILE 100 2HD1 ILE 100 3.599 -4.843 -6.165 273 HD13 ILE 100 3HD1 ILE 100 4.008 -4.584 -7.867 274 HA PRO 101 HA PRO 101 8.251 -9.960 -2.493 275 HB2 PRO 101 2HB PRO 101 10.479 -8.035 -2.287 276 HB3 PRO 101 1HB PRO 101 10.546 -9.807 -2.386 277 HG2 PRO 101 2HG PRO 101 11.297 -8.285 -4.426 278 HG3 PRO 101 1HG PRO 101 10.482 -9.847 -4.655 279 HD2 PRO 101 2HD PRO 101 9.367 -7.100 -4.956 280 HD3 PRO 101 1HD PRO 101 9.030 -8.587 -5.866 281 H ALA 102 H ALA 102 7.460 -9.667 -0.576 282 HA ALA 102 HA ALA 102 6.230 -7.308 0.270 283 HB1 ALA 102 1HB ALA 102 5.846 -8.444 2.367 284 HB2 ALA 102 2HB ALA 102 7.075 -9.640 1.958 285 HB3 ALA 102 3HB ALA 102 5.583 -9.553 1.018 286 H ASP 103 H ASP 103 9.468 -8.472 0.782 287 HA ASP 103 HA ASP 103 10.216 -6.729 2.878 288 HB2 ASP 103 2HB ASP 103 11.918 -7.840 0.637 289 HB3 ASP 103 1HB ASP 103 12.539 -7.007 2.053 290 H VAL 104 H VAL 104 10.100 -6.374 -0.623 291 HA VAL 104 HA VAL 104 11.399 -3.826 -0.648 292 HB VAL 104 HB VAL 104 9.794 -5.311 -2.771 293 HG11 VAL 104 1HG1 VAL 104 9.632 -2.867 -3.132 294 HG12 VAL 104 2HG1 VAL 104 10.581 -3.671 -4.379 295 HG13 VAL 104 3HG1 VAL 104 11.396 -2.769 -3.101 296 HG21 VAL 104 1HG2 VAL 104 11.946 -5.635 -3.833 297 HG22 VAL 104 2HG2 VAL 104 11.981 -6.281 -2.183 298 HG23 VAL 104 3HG2 VAL 104 12.725 -4.715 -2.553 299 H ILE 105 H ILE 105 8.123 -5.037 -0.717 300 HA ILE 105 HA ILE 105 6.774 -2.591 -0.949 301 HB ILE 105 HB ILE 105 5.922 -5.102 0.518 302 HG12 ILE 105 2HG1 ILE 105 5.293 -4.171 -2.300 303 HG13 ILE 105 1HG1 ILE 105 6.488 -5.390 -1.884 304 HG21 ILE 105 1HG2 ILE 105 4.602 -3.193 1.248 305 HG22 ILE 105 2HG2 ILE 105 3.608 -4.262 0.256 306 HG23 ILE 105 3HG2 ILE 105 4.246 -2.753 -0.414 307 HD11 ILE 105 1HD1 ILE 105 3.531 -5.588 -1.406 308 HD12 ILE 105 2HD1 ILE 105 4.732 -6.830 -1.030 309 HD13 ILE 105 3HD1 ILE 105 4.434 -6.369 -2.703 310 H ASP 106 H ASP 106 7.987 -4.314 1.882 311 HA ASP 106 HA ASP 106 6.946 -2.517 3.812 312 HB2 ASP 106 2HB ASP 106 7.586 -4.738 4.505 313 HB3 ASP 106 1HB ASP 106 9.244 -4.475 3.965 314 H ALA 107 H ALA 107 10.101 -2.870 2.285 315 HA ALA 107 HA ALA 107 11.396 -0.712 3.482 316 HB1 ALA 107 1HB ALA 107 12.937 -0.840 1.585 317 HB2 ALA 107 2HB ALA 107 11.755 -1.822 0.705 318 HB3 ALA 107 3HB ALA 107 12.510 -2.458 2.159 319 H TYR 108 H TYR 108 9.432 -0.897 0.565 320 HA TYR 108 HA TYR 108 9.582 1.693 -0.353 321 HB2 TYR 108 2HB TYR 108 8.430 0.002 -1.640 322 HB3 TYR 108 1HB TYR 108 7.244 -0.226 -0.365 323 HD1 TYR 108 1HD TYR 108 8.315 1.925 -3.102 324 HD2 TYR 108 2HD TYR 108 5.422 1.370 -0.063 325 HE1 TYR 108 1HE TYR 108 6.927 3.591 -4.155 326 HE2 TYR 108 2HE TYR 108 3.986 3.051 -1.093 327 HH TYR 108 HH TYR 108 4.356 4.158 -4.154 328 H HIS 109 H HIS 109 7.108 0.344 1.825 329 HA HIS 109 HA HIS 109 6.044 2.897 2.276 330 HB2 HIS 109 2HB HIS 109 5.506 0.305 3.711 331 HB3 HIS 109 1HB HIS 109 4.684 1.807 4.124 332 HD1 HIS 109 1HD HIS 109 3.331 2.931 1.906 333 HD2 HIS 109 2HD HIS 109 4.296 -1.116 1.782 334 HE1 HIS 109 1HE HIS 109 1.861 1.927 0.156 335 H ALA 110 H ALA 110 8.673 1.304 3.693 336 HA ALA 110 HA ALA 110 8.657 2.849 6.115 337 HB1 ALA 110 1HB ALA 110 9.690 0.620 6.041 338 HB2 ALA 110 2HB ALA 110 10.842 1.863 6.532 339 HB3 ALA 110 3HB ALA 110 10.880 1.223 4.890 340 H ALA 111 H ALA 111 9.928 3.207 2.854 341 HA ALA 111 HA ALA 111 11.796 5.304 3.661 342 HB1 ALA 111 1HB ALA 111 11.092 4.141 0.987 343 HB2 ALA 111 2HB ALA 111 12.466 3.628 1.971 344 HB3 ALA 111 3HB ALA 111 12.409 5.269 1.288 345 H THR 112 H THR 112 8.981 4.635 1.832 346 HA THR 112 HA THR 112 8.459 7.410 1.363 347 HB THR 112 HB THR 112 7.884 4.837 -0.150 348 HG1 THR 112 1HG THR 112 9.671 6.841 -0.317 349 HG21 THR 112 1HG2 THR 112 6.740 6.169 -1.748 350 HG22 THR 112 2HG2 THR 112 6.920 7.604 -0.677 351 HG23 THR 112 3HG2 THR 112 5.957 6.187 -0.153 Start of MODEL 4 1 H MET 65 1HT MET 65 -1.256 -2.613 6.322 2 HA MET 65 HA MET 65 -0.677 -3.989 4.495 3 HB2 MET 65 2HB MET 65 -1.821 -6.043 5.323 4 HB3 MET 65 1HB MET 65 -3.374 -5.289 5.014 5 HG2 MET 65 2HG MET 65 -2.849 -5.218 2.614 6 HG3 MET 65 1HG MET 65 -1.311 -6.007 2.944 7 HE1 MET 65 1HE MET 65 -1.823 -7.900 1.183 8 HE2 MET 65 2HE MET 65 -3.336 -7.082 0.806 9 HE3 MET 65 3HE MET 65 -3.333 -8.813 1.142 10 H SER 66 H SER 66 -1.153 -2.989 2.520 11 HA SER 66 HA SER 66 -2.903 -0.774 2.604 12 HB2 SER 66 2HB SER 66 -1.432 -2.027 0.281 13 HB3 SER 66 1HB SER 66 -2.295 -0.493 0.203 14 HG SER 66 HG SER 66 0.133 -1.104 1.333 15 H GLY 67 H GLY 67 -4.969 -0.865 2.502 16 HA2 GLY 67 2HA GLY 67 -6.632 -1.383 0.514 17 HA3 GLY 67 1HA GLY 67 -6.348 -3.020 1.093 18 H SER 68 H SER 68 -6.642 -0.020 2.966 19 HA SER 68 HA SER 68 -8.826 -1.276 4.455 20 HB2 SER 68 2HB SER 68 -7.088 1.059 5.279 21 HB3 SER 68 1HB SER 68 -8.139 0.085 6.308 22 HG SER 68 HG SER 68 -6.740 -1.737 5.709 23 H GLY 69 H GLY 69 -10.566 0.218 5.141 24 HA2 GLY 69 2HA GLY 69 -11.404 1.854 2.911 25 HA3 GLY 69 1HA GLY 69 -12.363 1.444 4.321 26 H ARG 70 H ARG 70 -9.348 3.197 3.753 27 HA ARG 70 HA ARG 70 -10.480 5.609 5.052 28 HB2 ARG 70 2HB ARG 70 -7.687 4.499 5.527 29 HB3 ARG 70 1HB ARG 70 -8.303 6.012 6.161 30 HG2 ARG 70 2HG ARG 70 -9.359 3.282 6.854 31 HG3 ARG 70 1HG ARG 70 -8.238 4.222 7.836 32 HD2 ARG 70 2HD ARG 70 -9.899 5.952 8.141 33 HD3 ARG 70 1HD ARG 70 -11.020 5.118 7.059 34 HE ARG 70 HE ARG 70 -10.372 3.317 8.998 35 HH11 ARG 70 1HH1 ARG 70 -11.870 6.525 9.001 36 HH12 ARG 70 2HH1 ARG 70 -12.826 6.236 10.381 37 HH21 ARG 70 1HH2 ARG 70 -11.725 2.895 10.866 38 HH22 ARG 70 2HH2 ARG 70 -12.752 4.117 11.457 39 H GLY 71 H GLY 71 -9.867 4.578 2.281 40 HA2 GLY 71 2HA GLY 71 -7.567 6.058 1.398 41 HA3 GLY 71 1HA GLY 71 -8.657 5.106 0.398 42 H ARG 72 H ARG 72 -7.661 8.166 1.210 43 HA ARG 72 HA ARG 72 -9.906 9.274 -0.280 44 HB2 ARG 72 2HB ARG 72 -8.405 10.555 2.015 45 HB3 ARG 72 1HB ARG 72 -9.426 11.471 0.918 46 HG2 ARG 72 2HG ARG 72 -10.351 9.182 2.649 47 HG3 ARG 72 1HG ARG 72 -10.576 10.896 3.004 48 HD2 ARG 72 2HD ARG 72 -11.907 11.183 1.008 49 HD3 ARG 72 1HD ARG 72 -11.628 9.510 0.536 50 HE ARG 72 HE ARG 72 -12.761 9.462 3.044 51 HH11 ARG 72 1HH1 ARG 72 -13.679 10.597 -0.178 52 HH12 ARG 72 2HH1 ARG 72 -15.326 10.227 0.002 53 HH21 ARG 72 1HH2 ARG 72 -15.020 8.953 3.297 54 HH22 ARG 72 2HH2 ARG 72 -16.106 9.280 2.026 55 H GLY 73 H GLY 73 -8.938 8.918 -2.103 56 HA2 GLY 73 2HA GLY 73 -7.674 10.526 -3.630 57 HA3 GLY 73 1HA GLY 73 -6.309 10.070 -2.600 58 H ALA 74 H ALA 74 -8.211 9.229 -5.207 59 HA ALA 74 HA ALA 74 -8.058 6.411 -5.169 60 HB1 ALA 74 1HB ALA 74 -9.626 7.705 -6.573 61 HB2 ALA 74 2HB ALA 74 -8.698 6.507 -7.470 62 HB3 ALA 74 3HB ALA 74 -8.262 8.215 -7.571 63 H ILE 75 H ILE 75 -6.852 5.036 -6.266 64 HA ILE 75 HA ILE 75 -4.065 5.695 -6.360 65 HB ILE 75 HB ILE 75 -5.525 3.147 -6.988 66 HG12 ILE 75 2HG1 ILE 75 -4.249 4.005 -4.404 67 HG13 ILE 75 1HG1 ILE 75 -5.971 4.087 -4.733 68 HG21 ILE 75 1HG2 ILE 75 -2.636 3.648 -6.213 69 HG22 ILE 75 2HG2 ILE 75 -3.201 3.180 -7.818 70 HG23 ILE 75 3HG2 ILE 75 -3.354 2.057 -6.467 71 HD11 ILE 75 1HD1 ILE 75 -4.306 1.576 -4.637 72 HD12 ILE 75 2HD1 ILE 75 -6.046 1.681 -4.971 73 HD13 ILE 75 3HD1 ILE 75 -5.424 2.160 -3.391 74 H ASP 76 H ASP 76 -3.813 6.910 -7.958 75 HA ASP 76 HA ASP 76 -5.064 6.847 -10.514 76 HB2 ASP 76 2HB ASP 76 -4.044 8.895 -9.544 77 HB3 ASP 76 1HB ASP 76 -2.451 8.201 -9.827 78 H ARG 77 H ARG 77 -1.779 6.051 -9.576 79 HA ARG 77 HA ARG 77 -1.749 4.066 -11.715 80 HB2 ARG 77 2HB ARG 77 0.387 5.904 -10.742 81 HB3 ARG 77 1HB ARG 77 0.889 4.245 -11.035 82 HG2 ARG 77 2HG ARG 77 1.318 5.614 -12.994 83 HG3 ARG 77 1HG ARG 77 0.082 4.416 -13.350 84 HD2 ARG 77 2HD ARG 77 -1.629 6.201 -12.925 85 HD3 ARG 77 1HD ARG 77 -0.296 7.350 -12.806 86 HE ARG 77 HE ARG 77 -0.095 5.864 -15.168 87 HH11 ARG 77 1HH1 ARG 77 -2.016 8.522 -13.773 88 HH12 ARG 77 2HH1 ARG 77 -2.426 9.196 -15.284 89 HH21 ARG 77 1HH2 ARG 77 -0.724 6.809 -17.269 90 HH22 ARG 77 2HH2 ARG 77 -1.678 8.210 -17.308 91 H GLU 78 H GLU 78 -1.191 2.040 -11.127 92 HA GLU 78 HA GLU 78 -2.180 1.102 -8.715 93 HB2 GLU 78 2HB GLU 78 -0.163 -0.204 -10.524 94 HB3 GLU 78 1HB GLU 78 -1.130 -1.021 -9.308 95 HG2 GLU 78 2HG GLU 78 -3.142 -0.531 -10.507 96 HG3 GLU 78 1HG GLU 78 -2.257 0.433 -11.687 97 H GLN 79 H GLN 79 -1.317 0.555 -6.762 98 HA GLN 79 HA GLN 79 1.077 1.763 -5.892 99 HB2 GLN 79 2HB GLN 79 -0.527 -0.476 -4.627 100 HB3 GLN 79 1HB GLN 79 0.848 0.291 -3.852 101 HG2 GLN 79 2HG GLN 79 -0.365 2.441 -3.903 102 HG3 GLN 79 1HG GLN 79 -1.754 1.613 -4.604 103 HE21 GLN 79 1HE2 GLN 79 0.157 2.098 -1.705 104 HE22 GLN 79 2HE2 GLN 79 -0.943 1.300 -0.646 105 H SER 80 H SER 80 0.291 -1.389 -7.123 106 HA SER 80 HA SER 80 2.651 -2.774 -6.648 107 HB2 SER 80 2HB SER 80 0.941 -2.937 -9.133 108 HB3 SER 80 1HB SER 80 1.880 -4.232 -8.384 109 HG SER 80 HG SER 80 -0.535 -4.025 -7.984 110 H ALA 81 H ALA 81 1.793 -0.644 -9.370 111 HA ALA 81 HA ALA 81 4.272 -1.013 -10.666 112 HB1 ALA 81 1HB ALA 81 2.248 1.214 -10.998 113 HB2 ALA 81 2HB ALA 81 2.272 -0.297 -11.904 114 HB3 ALA 81 3HB ALA 81 3.580 0.867 -12.098 115 H ALA 82 H ALA 82 2.955 1.350 -8.454 116 HA ALA 82 HA ALA 82 5.035 3.209 -8.459 117 HB1 ALA 82 1HB ALA 82 4.158 3.951 -6.309 118 HB2 ALA 82 2HB ALA 82 3.234 2.457 -6.157 119 HB3 ALA 82 3HB ALA 82 2.838 3.614 -7.430 120 H ILE 83 H ILE 83 4.570 0.324 -6.414 121 HA ILE 83 HA ILE 83 6.939 0.697 -4.914 122 HB ILE 83 HB ILE 83 5.439 -1.889 -5.470 123 HG12 ILE 83 2HG1 ILE 83 5.273 -0.014 -3.099 124 HG13 ILE 83 1HG1 ILE 83 4.071 -0.145 -4.375 125 HG21 ILE 83 1HG2 ILE 83 7.718 -2.326 -4.693 126 HG22 ILE 83 2HG2 ILE 83 6.551 -2.740 -3.436 127 HG23 ILE 83 3HG2 ILE 83 7.470 -1.245 -3.320 128 HD11 ILE 83 1HD1 ILE 83 4.837 -2.318 -2.436 129 HD12 ILE 83 2HD1 ILE 83 3.616 -2.450 -3.700 130 HD13 ILE 83 3HD1 ILE 83 3.383 -1.324 -2.362 131 H ARG 84 H ARG 84 6.214 -1.172 -7.843 132 HA ARG 84 HA ARG 84 8.750 -2.341 -8.108 133 HB2 ARG 84 2HB ARG 84 6.636 -1.737 -10.168 134 HB3 ARG 84 1HB ARG 84 8.087 -2.668 -10.508 135 HG2 ARG 84 2HG ARG 84 7.416 -4.317 -8.821 136 HG3 ARG 84 1HG ARG 84 5.992 -3.352 -8.452 137 HD2 ARG 84 2HD ARG 84 5.239 -3.705 -10.795 138 HD3 ARG 84 1HD ARG 84 6.612 -4.822 -11.007 139 HE ARG 84 HE ARG 84 4.590 -5.219 -8.925 140 HH11 ARG 84 1HH1 ARG 84 6.227 -6.539 -11.782 141 HH12 ARG 84 2HH1 ARG 84 5.617 -8.109 -11.580 142 HH21 ARG 84 1HH2 ARG 84 3.722 -7.381 -8.689 143 HH22 ARG 84 2HH2 ARG 84 4.175 -8.606 -9.766 144 H GLU 85 H GLU 85 7.446 0.673 -9.391 145 HA GLU 85 HA GLU 85 9.789 1.373 -10.758 146 HB2 GLU 85 2HB GLU 85 7.487 2.969 -9.778 147 HB3 GLU 85 1HB GLU 85 8.895 3.766 -10.467 148 HG2 GLU 85 2HG GLU 85 8.549 2.211 -12.457 149 HG3 GLU 85 1HG GLU 85 6.956 1.897 -11.760 150 H TRP 86 H TRP 86 8.802 1.996 -7.414 151 HA TRP 86 HA TRP 86 10.904 3.743 -6.779 152 HB2 TRP 86 2HB TRP 86 8.926 3.537 -5.377 153 HB3 TRP 86 1HB TRP 86 9.236 1.829 -5.119 154 HD1 TRP 86 HD TRP 86 10.186 5.287 -3.808 155 HE1 TRP 86 1HE TRP 86 11.623 5.014 -1.719 156 HE3 TRP 86 3HE TRP 86 10.883 0.256 -4.007 157 HZ2 TRP 86 2HZ TRP 86 12.902 2.914 -0.306 158 HZ3 TRP 86 3HZ TRP 86 12.233 -0.833 -2.233 159 HH2 TRP 86 HH TRP 86 13.214 0.486 -0.427 160 H ALA 87 H ALA 87 10.451 0.288 -6.607 161 HA ALA 87 HA ALA 87 12.838 -0.567 -5.509 162 HB1 ALA 87 1HB ALA 87 10.932 -2.007 -5.880 163 HB2 ALA 87 2HB ALA 87 12.344 -2.688 -6.705 164 HB3 ALA 87 3HB ALA 87 11.115 -1.834 -7.616 165 H ARG 88 H ARG 88 11.985 0.027 -8.863 166 HA ARG 88 HA ARG 88 14.553 -0.685 -9.858 167 HB2 ARG 88 2HB ARG 88 12.296 0.825 -11.163 168 HB3 ARG 88 1HB ARG 88 13.782 0.403 -11.999 169 HG2 ARG 88 2HG ARG 88 11.787 -1.524 -10.810 170 HG3 ARG 88 1HG ARG 88 12.041 -1.195 -12.526 171 HD2 ARG 88 2HD ARG 88 14.354 -2.024 -12.317 172 HD3 ARG 88 1HD ARG 88 14.055 -2.396 -10.623 173 HE ARG 88 HE ARG 88 12.121 -3.693 -12.066 174 HH11 ARG 88 1HH1 ARG 88 15.622 -3.743 -11.762 175 HH12 ARG 88 2HH1 ARG 88 15.811 -5.369 -12.201 176 HH21 ARG 88 1HH2 ARG 88 12.320 -5.914 -12.668 177 HH22 ARG 88 2HH2 ARG 88 13.870 -6.648 -12.749 178 H ARG 89 H ARG 89 13.215 2.327 -8.749 179 HA ARG 89 HA ARG 89 15.374 3.900 -9.743 180 HB2 ARG 89 2HB ARG 89 13.585 4.472 -7.357 181 HB3 ARG 89 1HB ARG 89 14.708 5.611 -8.064 182 HG2 ARG 89 2HG ARG 89 12.167 4.533 -9.251 183 HG3 ARG 89 1HG ARG 89 12.545 6.200 -8.816 184 HD2 ARG 89 2HD ARG 89 14.369 6.115 -10.546 185 HD3 ARG 89 1HD ARG 89 13.706 4.570 -11.062 186 HE ARG 89 HE ARG 89 12.828 7.105 -11.831 187 HH11 ARG 89 1HH1 ARG 89 11.192 4.098 -10.783 188 HH12 ARG 89 2HH1 ARG 89 9.856 4.411 -11.829 189 HH21 ARG 89 1HH2 ARG 89 10.974 7.351 -13.218 190 HH22 ARG 89 2HH2 ARG 89 9.729 6.185 -13.176 191 H ASN 90 H ASN 90 14.797 2.100 -6.824 192 HA ASN 90 HA ASN 90 17.254 3.049 -5.620 193 HB2 ASN 90 2HB ASN 90 14.986 1.384 -4.620 194 HB3 ASN 90 1HB ASN 90 16.470 1.564 -3.673 195 HD21 ASN 90 1HD2 ASN 90 13.639 3.160 -4.928 196 HD22 ASN 90 2HD2 ASN 90 13.787 4.582 -3.961 197 H GLY 91 H GLY 91 16.364 0.417 -7.534 198 HA2 GLY 91 2HA GLY 91 17.998 -0.957 -8.528 199 HA3 GLY 91 1HA GLY 91 19.070 -0.619 -7.183 200 H HIS 92 H HIS 92 15.734 -1.776 -6.882 201 HA HIS 92 HA HIS 92 16.756 -4.135 -5.507 202 HB2 HIS 92 2HB HIS 92 13.989 -2.974 -5.759 203 HB3 HIS 92 1HB HIS 92 14.331 -4.489 -4.941 204 HD1 HIS 92 1HD HIS 92 14.775 -4.243 -2.421 205 HD2 HIS 92 2HD HIS 92 15.264 -0.716 -4.558 206 HE1 HIS 92 1HE HIS 92 15.116 -2.443 -0.717 207 H ASN 93 H ASN 93 16.223 -6.197 -6.151 208 HA ASN 93 HA ASN 93 15.562 -6.479 -8.958 209 HB2 ASN 93 2HB ASN 93 16.488 -8.489 -6.889 210 HB3 ASN 93 1HB ASN 93 16.058 -8.925 -8.536 211 HD21 ASN 93 1HD2 ASN 93 18.578 -9.118 -7.027 212 HD22 ASN 93 2HD2 ASN 93 19.759 -8.317 -7.985 213 H VAL 94 H VAL 94 13.413 -6.061 -9.080 214 HA VAL 94 HA VAL 94 11.653 -7.840 -7.563 215 HB VAL 94 HB VAL 94 10.980 -5.247 -8.998 216 HG11 VAL 94 1HG1 VAL 94 9.207 -7.108 -7.408 217 HG12 VAL 94 2HG1 VAL 94 9.081 -6.777 -9.138 218 HG13 VAL 94 3HG1 VAL 94 8.747 -5.502 -7.960 219 HG21 VAL 94 1HG2 VAL 94 11.030 -5.958 -6.075 220 HG22 VAL 94 2HG2 VAL 94 10.539 -4.403 -6.755 221 HG23 VAL 94 3HG2 VAL 94 12.206 -4.954 -6.919 222 H SER 95 H SER 95 10.777 -9.453 -8.542 223 HA SER 95 HA SER 95 11.148 -10.072 -11.238 224 HB2 SER 95 2HB SER 95 10.828 -11.718 -9.387 225 HB3 SER 95 1HB SER 95 9.149 -11.203 -9.261 226 HG SER 95 HG SER 95 8.674 -12.364 -10.918 227 H THR 96 H THR 96 9.926 -9.603 -13.007 228 HA THR 96 HA THR 96 7.723 -7.817 -12.704 229 HB THR 96 HB THR 96 7.653 -8.151 -15.267 230 HG1 THR 96 1HG THR 96 8.906 -9.642 -16.001 231 HG21 THR 96 1HG2 THR 96 10.171 -7.101 -13.958 232 HG22 THR 96 2HG2 THR 96 8.682 -6.190 -14.218 233 HG23 THR 96 3HG2 THR 96 9.643 -6.723 -15.599 234 H ARG 97 H ARG 97 8.338 -11.137 -13.429 235 HA ARG 97 HA ARG 97 5.536 -11.773 -13.812 236 HB2 ARG 97 2HB ARG 97 8.002 -13.523 -13.715 237 HB3 ARG 97 1HB ARG 97 6.379 -14.130 -13.972 238 HG2 ARG 97 2HG ARG 97 7.865 -12.235 -15.781 239 HG3 ARG 97 1HG ARG 97 7.608 -13.959 -16.060 240 HD2 ARG 97 2HD ARG 97 5.157 -13.525 -15.995 241 HD3 ARG 97 1HD ARG 97 5.513 -11.803 -15.909 242 HE ARG 97 HE ARG 97 6.844 -12.953 -18.082 243 HH11 ARG 97 1HH1 ARG 97 3.658 -11.815 -17.095 244 HH12 ARG 97 2HH1 ARG 97 3.022 -11.744 -18.673 245 HH21 ARG 97 1HH2 ARG 97 5.987 -12.842 -20.259 246 HH22 ARG 97 2HH2 ARG 97 4.367 -12.356 -20.494 247 H GLY 98 H GLY 98 4.352 -11.797 -12.017 248 HA2 GLY 98 2HA GLY 98 3.796 -13.219 -10.134 249 HA3 GLY 98 1HA GLY 98 5.498 -13.174 -9.697 250 H ARG 99 H ARG 99 4.852 -12.470 -7.661 251 HA ARG 99 HA ARG 99 3.638 -9.837 -7.415 252 HB2 ARG 99 2HB ARG 99 4.379 -11.948 -5.406 253 HB3 ARG 99 1HB ARG 99 3.800 -10.356 -4.947 254 HG2 ARG 99 2HG ARG 99 1.700 -10.744 -6.012 255 HG3 ARG 99 1HG ARG 99 2.279 -12.260 -6.704 256 HD2 ARG 99 2HD ARG 99 0.841 -12.603 -4.751 257 HD3 ARG 99 1HD ARG 99 2.471 -13.235 -4.507 258 HE ARG 99 HE ARG 99 2.665 -10.843 -3.354 259 HH11 ARG 99 1HH1 ARG 99 0.034 -13.190 -3.082 260 HH12 ARG 99 2HH1 ARG 99 -0.285 -12.885 -1.447 261 HH21 ARG 99 1HH2 ARG 99 2.270 -10.393 -1.154 262 HH22 ARG 99 2HH2 ARG 99 1.061 -11.190 -0.261 263 H ILE 100 H ILE 100 4.572 -8.511 -5.609 264 HA ILE 100 HA ILE 100 7.367 -7.930 -6.224 265 HB ILE 100 HB ILE 100 5.400 -6.435 -4.450 266 HG12 ILE 100 2HG1 ILE 100 6.163 -5.818 -7.296 267 HG13 ILE 100 1HG1 ILE 100 4.663 -6.596 -6.813 268 HG21 ILE 100 1HG2 ILE 100 7.722 -5.913 -3.967 269 HG22 ILE 100 2HG2 ILE 100 6.905 -4.544 -4.735 270 HG23 ILE 100 3HG2 ILE 100 8.007 -5.549 -5.679 271 HD11 ILE 100 1HD1 ILE 100 5.565 -3.852 -6.012 272 HD12 ILE 100 2HD1 ILE 100 4.031 -4.604 -5.555 273 HD13 ILE 100 3HD1 ILE 100 4.362 -4.211 -7.246 274 HA PRO 101 HA PRO 101 8.624 -10.124 -2.515 275 HB2 PRO 101 2HB PRO 101 10.806 -8.119 -2.424 276 HB3 PRO 101 1HB PRO 101 10.921 -9.889 -2.470 277 HG2 PRO 101 2HG PRO 101 11.520 -8.384 -4.575 278 HG3 PRO 101 1HG PRO 101 10.804 -10.002 -4.733 279 HD2 PRO 101 2HD PRO 101 9.560 -7.345 -5.151 280 HD3 PRO 101 1HD PRO 101 9.192 -8.914 -5.900 281 H ALA 102 H ALA 102 7.878 -9.840 -0.552 282 HA ALA 102 HA ALA 102 6.602 -7.574 0.392 283 HB1 ALA 102 1HB ALA 102 7.764 -9.804 2.044 284 HB2 ALA 102 2HB ALA 102 6.198 -9.849 1.231 285 HB3 ALA 102 3HB ALA 102 6.485 -8.697 2.533 286 H ASP 103 H ASP 103 9.962 -8.440 0.679 287 HA ASP 103 HA ASP 103 10.593 -6.577 2.724 288 HB2 ASP 103 2HB ASP 103 12.107 -8.444 2.108 289 HB3 ASP 103 1HB ASP 103 12.428 -7.630 0.581 290 H VAL 104 H VAL 104 10.430 -6.353 -0.794 291 HA VAL 104 HA VAL 104 11.598 -3.743 -0.914 292 HB VAL 104 HB VAL 104 9.870 -5.247 -2.925 293 HG11 VAL 104 1HG1 VAL 104 10.585 -3.600 -4.571 294 HG12 VAL 104 2HG1 VAL 104 11.466 -2.711 -3.330 295 HG13 VAL 104 3HG1 VAL 104 9.703 -2.806 -3.264 296 HG21 VAL 104 1HG2 VAL 104 12.815 -4.692 -2.870 297 HG22 VAL 104 2HG2 VAL 104 11.959 -5.565 -4.134 298 HG23 VAL 104 3HG2 VAL 104 12.070 -6.251 -2.502 299 H ILE 105 H ILE 105 8.410 -5.110 -0.749 300 HA ILE 105 HA ILE 105 6.925 -2.720 -0.924 301 HB ILE 105 HB ILE 105 6.239 -5.271 0.573 302 HG12 ILE 105 2HG1 ILE 105 5.518 -4.410 -2.238 303 HG13 ILE 105 1HG1 ILE 105 6.763 -5.575 -1.829 304 HG21 ILE 105 1HG2 ILE 105 4.421 -3.051 -0.401 305 HG22 ILE 105 2HG2 ILE 105 4.842 -3.385 1.273 306 HG23 ILE 105 3HG2 ILE 105 3.908 -4.569 0.350 307 HD11 ILE 105 1HD1 ILE 105 3.806 -5.875 -1.337 308 HD12 ILE 105 2HD1 ILE 105 5.054 -7.043 -0.878 309 HD13 ILE 105 3HD1 ILE 105 4.779 -6.678 -2.576 310 H ASP 106 H ASP 106 8.373 -4.417 1.781 311 HA ASP 106 HA ASP 106 7.378 -2.797 3.869 312 HB2 ASP 106 2HB ASP 106 8.376 -5.030 4.262 313 HB3 ASP 106 1HB ASP 106 9.943 -4.403 3.768 314 H ALA 107 H ALA 107 10.407 -2.821 2.089 315 HA ALA 107 HA ALA 107 11.608 -0.609 3.268 316 HB1 ALA 107 1HB ALA 107 11.911 -1.587 0.441 317 HB2 ALA 107 2HB ALA 107 12.702 -2.291 1.835 318 HB3 ALA 107 3HB ALA 107 13.091 -0.632 1.356 319 H TYR 108 H TYR 108 9.464 -0.870 0.480 320 HA TYR 108 HA TYR 108 9.485 1.782 -0.372 321 HB2 TYR 108 2HB TYR 108 8.477 -0.014 -1.685 322 HB3 TYR 108 1HB TYR 108 7.240 -0.249 -0.463 323 HD1 TYR 108 1HD TYR 108 5.225 1.012 -0.541 324 HD2 TYR 108 2HD TYR 108 8.507 2.170 -2.972 325 HE1 TYR 108 1HE TYR 108 3.777 2.583 -1.741 326 HE2 TYR 108 2HE TYR 108 7.095 3.719 -4.178 327 HH TYR 108 HH TYR 108 3.998 4.594 -3.054 328 H HIS 109 H HIS 109 7.225 0.162 1.848 329 HA HIS 109 HA HIS 109 5.958 2.619 2.457 330 HB2 HIS 109 2HB HIS 109 5.662 -0.125 3.627 331 HB3 HIS 109 1HB HIS 109 4.841 1.265 4.337 332 HD1 HIS 109 1HD HIS 109 2.821 2.183 3.101 333 HD2 HIS 109 2HD HIS 109 4.822 -0.799 1.036 334 HE1 HIS 109 1HE HIS 109 1.324 1.560 1.171 335 H ALA 110 H ALA 110 8.755 1.193 3.635 336 HA ALA 110 HA ALA 110 8.805 2.650 6.103 337 HB1 ALA 110 1HB ALA 110 11.172 2.025 6.160 338 HB2 ALA 110 2HB ALA 110 11.057 1.429 4.504 339 HB3 ALA 110 3HB ALA 110 10.159 0.626 5.794 340 H ALA 111 H ALA 111 10.288 2.979 2.924 341 HA ALA 111 HA ALA 111 11.567 5.427 3.426 342 HB1 ALA 111 1HB ALA 111 12.267 3.897 1.671 343 HB2 ALA 111 2HB ALA 111 11.939 5.509 1.031 344 HB3 ALA 111 3HB ALA 111 10.768 4.209 0.795 345 H THR 112 H THR 112 8.493 4.694 1.733 346 HA THR 112 HA THR 112 7.994 7.526 1.931 347 HB THR 112 HB THR 112 8.181 6.716 -0.440 348 HG1 THR 112 1HG THR 112 6.430 8.325 0.520 349 HG21 THR 112 1HG2 THR 112 6.370 5.407 -1.454 350 HG22 THR 112 2HG2 THR 112 5.655 5.162 0.139 351 HG23 THR 112 3HG2 THR 112 7.239 4.482 -0.232 Start of MODEL 5 1 H MET 65 1HT MET 65 5.700 8.400 -14.595 2 HA MET 65 HA MET 65 3.554 9.101 -14.031 3 HB2 MET 65 2HB MET 65 3.466 8.080 -11.785 4 HB3 MET 65 1HB MET 65 4.619 9.263 -11.191 5 HG2 MET 65 2HG MET 65 3.006 11.049 -11.587 6 HG3 MET 65 1HG MET 65 1.862 9.881 -12.241 7 HE1 MET 65 1HE MET 65 0.654 8.009 -10.792 8 HE2 MET 65 2HE MET 65 0.935 7.761 -9.074 9 HE3 MET 65 3HE MET 65 2.207 7.386 -10.236 10 H SER 66 H SER 66 4.317 10.569 -15.465 11 HA SER 66 HA SER 66 5.343 13.060 -14.335 12 HB2 SER 66 2HB SER 66 6.335 11.743 -16.878 13 HB3 SER 66 1HB SER 66 6.900 13.260 -16.186 14 HG SER 66 HG SER 66 7.612 12.089 -14.379 15 H GLY 67 H GLY 67 4.859 14.874 -15.798 16 HA2 GLY 67 2HA GLY 67 3.779 15.901 -17.572 17 HA3 GLY 67 1HA GLY 67 3.023 14.367 -17.982 18 H SER 68 H SER 68 0.935 14.481 -17.808 19 HA SER 68 HA SER 68 -0.464 16.469 -16.391 20 HB2 SER 68 2HB SER 68 -1.471 13.800 -17.389 21 HB3 SER 68 1HB SER 68 -2.419 15.263 -17.104 22 HG SER 68 HG SER 68 -0.828 16.213 -18.654 23 H GLY 69 H GLY 69 0.251 13.088 -15.739 24 HA2 GLY 69 2HA GLY 69 -1.134 13.107 -13.239 25 HA3 GLY 69 1HA GLY 69 -0.192 11.787 -13.914 26 H ARG 70 H ARG 70 -0.243 14.410 -11.831 27 HA ARG 70 HA ARG 70 2.507 13.829 -11.001 28 HB2 ARG 70 2HB ARG 70 1.187 16.376 -11.492 29 HB3 ARG 70 1HB ARG 70 1.684 16.215 -9.816 30 HG2 ARG 70 2HG ARG 70 3.419 17.338 -11.058 31 HG3 ARG 70 1HG ARG 70 3.994 15.750 -10.560 32 HD2 ARG 70 2HD ARG 70 3.567 14.895 -12.807 33 HD3 ARG 70 1HD ARG 70 2.931 16.467 -13.292 34 HE ARG 70 HE ARG 70 5.708 16.143 -12.362 35 HH11 ARG 70 1HH1 ARG 70 3.450 17.249 -14.879 36 HH12 ARG 70 2HH1 ARG 70 4.642 18.072 -15.767 37 HH21 ARG 70 1HH2 ARG 70 7.319 17.198 -13.633 38 HH22 ARG 70 2HH2 ARG 70 6.909 17.985 -15.073 39 H GLY 71 H GLY 71 2.702 13.268 -8.898 40 HA2 GLY 71 2HA GLY 71 0.307 12.578 -7.530 41 HA3 GLY 71 1HA GLY 71 1.958 12.349 -6.944 42 H ARG 72 H ARG 72 -0.839 14.003 -6.513 43 HA ARG 72 HA ARG 72 0.176 16.523 -5.609 44 HB2 ARG 72 2HB ARG 72 -2.451 15.127 -5.065 45 HB3 ARG 72 1HB ARG 72 -2.080 16.786 -4.631 46 HG2 ARG 72 2HG ARG 72 -1.938 17.428 -6.921 47 HG3 ARG 72 1HG ARG 72 -2.076 15.754 -7.457 48 HD2 ARG 72 2HD ARG 72 -4.185 17.323 -5.965 49 HD3 ARG 72 1HD ARG 72 -4.194 16.962 -7.688 50 HE ARG 72 HE ARG 72 -4.309 14.600 -7.074 51 HH11 ARG 72 1HH1 ARG 72 -5.348 16.975 -4.630 52 HH12 ARG 72 2HH1 ARG 72 -6.501 15.944 -3.923 53 HH21 ARG 72 1HH2 ARG 72 -5.909 13.206 -6.056 54 HH22 ARG 72 2HH2 ARG 72 -6.830 13.787 -4.728 55 H GLY 73 H GLY 73 -0.731 13.468 -4.222 56 HA2 GLY 73 2HA GLY 73 0.895 14.058 -1.890 57 HA3 GLY 73 1HA GLY 73 -0.797 13.689 -1.594 58 H ALA 74 H ALA 74 -1.595 11.646 -2.381 59 HA ALA 74 HA ALA 74 0.527 9.588 -2.331 60 HB1 ALA 74 1HB ALA 74 -0.979 9.537 -0.391 61 HB2 ALA 74 2HB ALA 74 -1.119 8.083 -1.382 62 HB3 ALA 74 3HB ALA 74 -2.349 9.343 -1.484 63 H ILE 75 H ILE 75 -0.040 7.607 -3.385 64 HA ILE 75 HA ILE 75 -0.693 8.165 -6.121 65 HB ILE 75 HB ILE 75 0.203 5.657 -4.681 66 HG12 ILE 75 2HG1 ILE 75 1.787 7.575 -6.385 67 HG13 ILE 75 1HG1 ILE 75 1.692 7.655 -4.631 68 HG21 ILE 75 1HG2 ILE 75 -0.928 5.126 -6.823 69 HG22 ILE 75 2HG2 ILE 75 0.803 4.798 -6.907 70 HG23 ILE 75 3HG2 ILE 75 0.146 6.253 -7.655 71 HD11 ILE 75 1HD1 ILE 75 2.779 5.368 -6.239 72 HD12 ILE 75 2HD1 ILE 75 2.668 5.472 -4.473 73 HD13 ILE 75 3HD1 ILE 75 3.716 6.587 -5.354 74 H ASP 76 H ASP 76 -2.522 7.568 -7.144 75 HA ASP 76 HA ASP 76 -4.767 6.890 -5.438 76 HB2 ASP 76 2HB ASP 76 -4.901 8.758 -7.097 77 HB3 ASP 76 1HB ASP 76 -4.739 7.581 -8.387 78 H ARG 77 H ARG 77 -3.560 5.711 -8.564 79 HA ARG 77 HA ARG 77 -4.728 3.115 -7.857 80 HB2 ARG 77 2HB ARG 77 -4.435 4.296 -10.624 81 HB3 ARG 77 1HB ARG 77 -5.031 2.680 -10.263 82 HG2 ARG 77 2HG ARG 77 -6.900 3.634 -9.037 83 HG3 ARG 77 1HG ARG 77 -6.294 5.254 -9.373 84 HD2 ARG 77 2HD ARG 77 -6.565 4.780 -11.795 85 HD3 ARG 77 1HD ARG 77 -7.286 3.227 -11.369 86 HE ARG 77 HE ARG 77 -8.442 5.601 -10.191 87 HH11 ARG 77 1HH1 ARG 77 -8.698 3.199 -12.767 88 HH12 ARG 77 2HH1 ARG 77 -10.364 3.427 -13.033 89 HH21 ARG 77 1HH2 ARG 77 -10.689 5.955 -10.545 90 HH22 ARG 77 2HH2 ARG 77 -11.558 5.053 -11.699 91 H GLU 78 H GLU 78 -3.664 1.292 -8.346 92 HA GLU 78 HA GLU 78 -2.024 -0.144 -8.568 93 HB2 GLU 78 2HB GLU 78 -1.093 1.724 -10.734 94 HB3 GLU 78 1HB GLU 78 -0.460 0.102 -10.475 95 HG2 GLU 78 2HG GLU 78 -2.755 -0.785 -10.792 96 HG3 GLU 78 1HG GLU 78 -3.278 0.844 -11.206 97 H GLN 79 H GLN 79 -1.602 1.148 -6.394 98 HA GLN 79 HA GLN 79 0.928 2.306 -6.100 99 HB2 GLN 79 2HB GLN 79 -0.793 0.843 -4.105 100 HB3 GLN 79 1HB GLN 79 0.774 1.502 -3.675 101 HG2 GLN 79 2HG GLN 79 -0.008 3.724 -4.401 102 HG3 GLN 79 1HG GLN 79 -1.611 3.039 -4.667 103 HE21 GLN 79 1HE2 GLN 79 -2.441 4.488 -3.131 104 HE22 GLN 79 2HE2 GLN 79 -2.260 4.224 -1.442 105 H SER 80 H SER 80 -0.079 -1.054 -6.201 106 HA SER 80 HA SER 80 2.268 -2.268 -5.356 107 HB2 SER 80 2HB SER 80 0.449 -3.218 -7.564 108 HB3 SER 80 1HB SER 80 1.445 -4.216 -6.499 109 HG SER 80 HG SER 80 -0.957 -3.736 -6.149 110 H ALA 81 H ALA 81 1.283 -1.178 -8.609 111 HA ALA 81 HA ALA 81 3.589 -2.014 -9.970 112 HB1 ALA 81 1HB ALA 81 1.739 0.279 -10.636 113 HB2 ALA 81 2HB ALA 81 1.510 -1.400 -11.128 114 HB3 ALA 81 3HB ALA 81 2.885 -0.479 -11.744 115 H ALA 82 H ALA 82 2.707 1.006 -8.408 116 HA ALA 82 HA ALA 82 5.036 2.455 -8.987 117 HB1 ALA 82 1HB ALA 82 4.421 3.907 -7.129 118 HB2 ALA 82 2HB ALA 82 3.295 2.687 -6.534 119 HB3 ALA 82 3HB ALA 82 2.997 3.478 -8.080 120 H ILE 83 H ILE 83 4.352 0.178 -6.368 121 HA ILE 83 HA ILE 83 6.748 0.537 -4.906 122 HB ILE 83 HB ILE 83 5.099 -1.998 -5.192 123 HG12 ILE 83 2HG1 ILE 83 5.015 0.123 -3.032 124 HG13 ILE 83 1HG1 ILE 83 3.806 -0.102 -4.288 125 HG21 ILE 83 1HG2 ILE 83 7.173 -1.254 -3.124 126 HG22 ILE 83 2HG2 ILE 83 7.318 -2.520 -4.341 127 HG23 ILE 83 3HG2 ILE 83 6.135 -2.675 -3.036 128 HD11 ILE 83 1HD1 ILE 83 3.263 -2.305 -3.360 129 HD12 ILE 83 2HD1 ILE 83 3.060 -1.024 -2.170 130 HD13 ILE 83 3HD1 ILE 83 4.481 -2.067 -2.106 131 H ARG 84 H ARG 84 5.899 -1.618 -7.548 132 HA ARG 84 HA ARG 84 8.294 -3.063 -7.684 133 HB2 ARG 84 2HB ARG 84 6.343 -2.397 -9.872 134 HB3 ARG 84 1HB ARG 84 7.562 -3.672 -9.956 135 HG2 ARG 84 2HG ARG 84 6.548 -4.887 -8.237 136 HG3 ARG 84 1HG ARG 84 5.496 -3.541 -7.798 137 HD2 ARG 84 2HD ARG 84 4.068 -4.893 -8.932 138 HD3 ARG 84 1HD ARG 84 4.635 -3.824 -10.210 139 HE ARG 84 HE ARG 84 6.015 -6.344 -9.853 140 HH11 ARG 84 1HH1 ARG 84 4.027 -4.316 -11.903 141 HH12 ARG 84 2HH1 ARG 84 3.580 -5.549 -12.988 142 HH21 ARG 84 1HH2 ARG 84 5.445 -8.065 -11.319 143 HH22 ARG 84 2HH2 ARG 84 4.446 -7.747 -12.677 144 H GLU 85 H GLU 85 7.171 -0.195 -9.389 145 HA GLU 85 HA GLU 85 9.417 0.351 -10.937 146 HB2 GLU 85 2HB GLU 85 7.390 2.216 -9.705 147 HB3 GLU 85 1HB GLU 85 8.613 2.744 -10.848 148 HG2 GLU 85 2HG GLU 85 6.453 0.717 -11.395 149 HG3 GLU 85 1HG GLU 85 6.452 2.396 -11.930 150 H TRP 86 H TRP 86 8.581 1.474 -7.655 151 HA TRP 86 HA TRP 86 10.773 3.098 -7.175 152 HB2 TRP 86 2HB TRP 86 8.804 3.165 -5.766 153 HB3 TRP 86 1HB TRP 86 8.990 1.470 -5.343 154 HD1 TRP 86 HD TRP 86 10.193 4.942 -4.379 155 HE1 TRP 86 1HE TRP 86 11.646 4.778 -2.280 156 HE3 TRP 86 3HE TRP 86 10.523 -0.110 -4.077 157 HZ2 TRP 86 2HZ TRP 86 12.775 2.738 -0.676 158 HZ3 TRP 86 3HZ TRP 86 11.811 -1.116 -2.213 159 HH2 TRP 86 HH TRP 86 12.905 0.291 -0.555 160 H ALA 87 H ALA 87 10.211 -0.322 -6.626 161 HA ALA 87 HA ALA 87 12.523 -1.040 -5.303 162 HB1 ALA 87 1HB ALA 87 12.067 -3.293 -6.104 163 HB2 ALA 87 2HB ALA 87 10.965 -2.639 -7.314 164 HB3 ALA 87 3HB ALA 87 10.583 -2.479 -5.602 165 H ARG 88 H ARG 88 11.848 -1.169 -8.755 166 HA ARG 88 HA ARG 88 14.410 -1.977 -9.555 167 HB2 ARG 88 2HB ARG 88 12.153 -0.630 -10.990 168 HB3 ARG 88 1HB ARG 88 13.688 -0.899 -11.802 169 HG2 ARG 88 2HG ARG 88 12.063 -3.089 -10.518 170 HG3 ARG 88 1HG ARG 88 11.958 -2.653 -12.226 171 HD2 ARG 88 2HD ARG 88 14.358 -3.110 -12.484 172 HD3 ARG 88 1HD ARG 88 14.455 -3.558 -10.790 173 HE ARG 88 HE ARG 88 13.012 -5.422 -11.278 174 HH11 ARG 88 1HH1 ARG 88 14.256 -3.820 -14.183 175 HH12 ARG 88 2HH1 ARG 88 14.490 -5.254 -15.056 176 HH21 ARG 88 1HH2 ARG 88 13.396 -7.426 -12.464 177 HH22 ARG 88 2HH2 ARG 88 13.968 -7.368 -14.055 178 H ARG 89 H ARG 89 13.075 1.203 -9.054 179 HA ARG 89 HA ARG 89 15.273 2.600 -10.158 180 HB2 ARG 89 2HB ARG 89 13.121 3.538 -8.295 181 HB3 ARG 89 1HB ARG 89 14.244 4.587 -9.170 182 HG2 ARG 89 2HG ARG 89 13.497 3.672 -11.281 183 HG3 ARG 89 1HG ARG 89 12.402 2.594 -10.433 184 HD2 ARG 89 2HD ARG 89 11.422 4.691 -9.456 185 HD3 ARG 89 1HD ARG 89 12.350 5.508 -10.744 186 HE ARG 89 HE ARG 89 10.779 3.280 -11.631 187 HH11 ARG 89 1HH1 ARG 89 10.673 6.805 -11.176 188 HH12 ARG 89 2HH1 ARG 89 9.430 7.042 -12.297 189 HH21 ARG 89 1HH2 ARG 89 9.013 3.602 -13.130 190 HH22 ARG 89 2HH2 ARG 89 8.479 5.173 -13.475 191 H ASN 90 H ASN 90 14.591 1.321 -7.016 192 HA ASN 90 HA ASN 90 16.897 2.659 -5.822 193 HB2 ASN 90 2HB ASN 90 14.635 1.072 -4.737 194 HB3 ASN 90 1HB ASN 90 16.097 1.247 -3.757 195 HD21 ASN 90 1HD2 ASN 90 13.407 2.851 -5.214 196 HD22 ASN 90 2HD2 ASN 90 13.554 4.324 -4.319 197 H GLY 91 H GLY 91 16.200 -0.286 -7.309 198 HA2 GLY 91 2HA GLY 91 18.014 -1.663 -8.022 199 HA3 GLY 91 1HA GLY 91 18.902 -1.189 -6.587 200 H HIS 92 H HIS 92 15.579 -2.082 -6.250 201 HA HIS 92 HA HIS 92 16.399 -4.487 -4.865 202 HB2 HIS 92 2HB HIS 92 13.732 -3.075 -5.074 203 HB3 HIS 92 1HB HIS 92 13.974 -4.587 -4.207 204 HD1 HIS 92 1HD HIS 92 14.849 -4.350 -1.767 205 HD2 HIS 92 2HD HIS 92 14.900 -0.828 -3.950 206 HE1 HIS 92 1HE HIS 92 15.373 -2.536 -0.119 207 H ASN 93 H ASN 93 16.065 -6.447 -5.726 208 HA ASN 93 HA ASN 93 15.265 -6.414 -8.464 209 HB2 ASN 93 2HB ASN 93 16.599 -8.503 -6.800 210 HB3 ASN 93 1HB ASN 93 15.877 -8.925 -8.350 211 HD21 ASN 93 1HD2 ASN 93 18.672 -8.941 -7.549 212 HD22 ASN 93 2HD2 ASN 93 19.501 -7.908 -8.653 213 H VAL 94 H VAL 94 13.252 -5.976 -8.406 214 HA VAL 94 HA VAL 94 11.460 -8.226 -7.810 215 HB VAL 94 HB VAL 94 10.772 -5.270 -8.093 216 HG11 VAL 94 1HG1 VAL 94 8.517 -5.909 -7.368 217 HG12 VAL 94 2HG1 VAL 94 9.005 -7.602 -7.334 218 HG13 VAL 94 3HG1 VAL 94 8.964 -6.728 -8.865 219 HG21 VAL 94 1HG2 VAL 94 10.203 -5.368 -5.715 220 HG22 VAL 94 2HG2 VAL 94 11.919 -5.674 -6.013 221 HG23 VAL 94 3HG2 VAL 94 10.827 -7.016 -5.647 222 H SER 95 H SER 95 10.502 -9.044 -9.589 223 HA SER 95 HA SER 95 11.453 -8.042 -12.106 224 HB2 SER 95 2HB SER 95 11.513 -10.438 -11.656 225 HB3 SER 95 1HB SER 95 9.767 -10.445 -11.417 226 HG SER 95 HG SER 95 11.043 -10.813 -13.631 227 H THR 96 H THR 96 10.164 -7.337 -13.770 228 HA THR 96 HA THR 96 7.715 -6.086 -13.117 229 HB THR 96 HB THR 96 7.754 -5.775 -15.684 230 HG1 THR 96 1HG THR 96 9.440 -6.482 -16.707 231 HG21 THR 96 1HG2 THR 96 9.496 -4.049 -15.496 232 HG22 THR 96 2HG2 THR 96 10.026 -4.765 -13.969 233 HG23 THR 96 3HG2 THR 96 8.423 -4.042 -14.096 234 H ARG 97 H ARG 97 8.663 -9.202 -13.967 235 HA ARG 97 HA ARG 97 5.970 -9.906 -14.829 236 HB2 ARG 97 2HB ARG 97 8.590 -11.381 -15.172 237 HB3 ARG 97 1HB ARG 97 7.023 -12.023 -15.633 238 HG2 ARG 97 2HG ARG 97 8.318 -9.560 -16.787 239 HG3 ARG 97 1HG ARG 97 8.251 -11.150 -17.551 240 HD2 ARG 97 2HD ARG 97 5.791 -11.025 -17.520 241 HD3 ARG 97 1HD ARG 97 5.898 -9.400 -16.836 242 HE ARG 97 HE ARG 97 7.423 -9.490 -19.144 243 HH11 ARG 97 1HH1 ARG 97 3.995 -9.580 -18.190 244 HH12 ARG 97 2HH1 ARG 97 3.439 -9.026 -19.699 245 HH21 ARG 97 1HH2 ARG 97 6.596 -8.680 -21.215 246 HH22 ARG 97 2HH2 ARG 97 4.912 -8.525 -21.415 247 H GLY 98 H GLY 98 7.496 -9.537 -12.078 248 HA2 GLY 98 2HA GLY 98 6.564 -12.077 -10.956 249 HA3 GLY 98 1HA GLY 98 8.036 -11.292 -10.404 250 H ARG 99 H ARG 99 6.254 -11.869 -8.578 251 HA ARG 99 HA ARG 99 4.496 -9.611 -8.091 252 HB2 ARG 99 2HB ARG 99 3.753 -11.970 -7.706 253 HB3 ARG 99 1HB ARG 99 4.984 -12.126 -6.469 254 HG2 ARG 99 2HG ARG 99 3.857 -10.532 -5.066 255 HG3 ARG 99 1HG ARG 99 2.708 -10.163 -6.353 256 HD2 ARG 99 2HD ARG 99 3.024 -12.850 -5.019 257 HD3 ARG 99 1HD ARG 99 1.752 -11.679 -4.668 258 HE ARG 99 HE ARG 99 1.732 -12.174 -7.406 259 HH11 ARG 99 1HH1 ARG 99 1.105 -14.020 -4.467 260 HH12 ARG 99 2HH1 ARG 99 -0.160 -14.947 -5.143 261 HH21 ARG 99 1HH2 ARG 99 0.081 -13.453 -8.352 262 HH22 ARG 99 2HH2 ARG 99 -0.753 -14.627 -7.433 263 H ILE 100 H ILE 100 4.610 -8.587 -5.856 264 HA ILE 100 HA ILE 100 7.334 -7.688 -5.478 265 HB ILE 100 HB ILE 100 4.935 -6.814 -3.888 266 HG12 ILE 100 2HG1 ILE 100 5.908 -5.675 -6.495 267 HG13 ILE 100 1HG1 ILE 100 4.447 -6.644 -6.321 268 HG21 ILE 100 1HG2 ILE 100 7.523 -5.446 -4.669 269 HG22 ILE 100 2HG2 ILE 100 7.143 -6.119 -3.082 270 HG23 ILE 100 3HG2 ILE 100 6.236 -4.735 -3.693 271 HD11 ILE 100 1HD1 ILE 100 3.927 -4.286 -6.393 272 HD12 ILE 100 2HD1 ILE 100 5.032 -4.018 -5.044 273 HD13 ILE 100 3HD1 ILE 100 3.554 -4.949 -4.789 274 HA PRO 101 HA PRO 101 7.793 -10.219 -1.790 275 HB2 PRO 101 2HB PRO 101 10.323 -8.831 -1.374 276 HB3 PRO 101 1HB PRO 101 10.064 -10.535 -1.805 277 HG2 PRO 101 2HG PRO 101 11.158 -8.738 -3.500 278 HG3 PRO 101 1HG PRO 101 10.251 -10.173 -4.009 279 HD2 PRO 101 2HD PRO 101 9.347 -7.327 -3.926 280 HD3 PRO 101 1HD PRO 101 8.987 -8.619 -5.090 281 H ALA 102 H ALA 102 7.402 -9.777 0.311 282 HA ALA 102 HA ALA 102 6.291 -7.340 1.102 283 HB1 ALA 102 1HB ALA 102 5.764 -9.509 2.135 284 HB2 ALA 102 2HB ALA 102 6.183 -8.271 3.317 285 HB3 ALA 102 3HB ALA 102 7.361 -9.515 2.888 286 H ASP 103 H ASP 103 9.584 -8.489 1.366 287 HA ASP 103 HA ASP 103 10.558 -6.555 3.159 288 HB2 ASP 103 2HB ASP 103 11.969 -8.430 2.519 289 HB3 ASP 103 1HB ASP 103 11.994 -7.874 0.846 290 H VAL 104 H VAL 104 10.019 -6.451 -0.303 291 HA VAL 104 HA VAL 104 11.269 -3.896 -0.580 292 HB VAL 104 HB VAL 104 9.575 -5.523 -2.506 293 HG11 VAL 104 1HG1 VAL 104 11.125 -2.980 -3.047 294 HG12 VAL 104 2HG1 VAL 104 9.369 -3.086 -2.942 295 HG13 VAL 104 3HG1 VAL 104 10.224 -3.933 -4.228 296 HG21 VAL 104 1HG2 VAL 104 11.691 -5.876 -3.647 297 HG22 VAL 104 2HG2 VAL 104 11.803 -6.423 -1.965 298 HG23 VAL 104 3HG2 VAL 104 12.502 -4.871 -2.450 299 H ILE 105 H ILE 105 8.044 -5.155 -0.210 300 HA ILE 105 HA ILE 105 6.636 -2.718 -0.530 301 HB ILE 105 HB ILE 105 5.947 -5.067 1.272 302 HG12 ILE 105 2HG1 ILE 105 5.068 -4.451 -1.559 303 HG13 ILE 105 1HG1 ILE 105 6.260 -5.660 -1.106 304 HG21 ILE 105 1HG2 ILE 105 3.645 -4.265 1.117 305 HG22 ILE 105 2HG2 ILE 105 4.196 -2.850 0.201 306 HG23 ILE 105 3HG2 ILE 105 4.694 -3.065 1.880 307 HD11 ILE 105 1HD1 ILE 105 4.134 -6.667 -1.619 308 HD12 ILE 105 2HD1 ILE 105 3.335 -5.689 -0.386 309 HD13 ILE 105 3HD1 ILE 105 4.521 -6.911 0.082 310 H ASP 106 H ASP 106 8.199 -4.212 2.223 311 HA ASP 106 HA ASP 106 7.450 -2.377 4.223 312 HB2 ASP 106 2HB ASP 106 8.265 -4.505 4.918 313 HB3 ASP 106 1HB ASP 106 9.724 -4.332 3.952 314 H ALA 107 H ALA 107 10.399 -2.718 2.351 315 HA ALA 107 HA ALA 107 11.718 -0.437 3.237 316 HB1 ALA 107 1HB ALA 107 12.740 -2.266 1.977 317 HB2 ALA 107 2HB ALA 107 13.089 -0.706 1.235 318 HB3 ALA 107 3HB ALA 107 11.847 -1.774 0.546 319 H TYR 108 H TYR 108 9.530 -0.921 0.493 320 HA TYR 108 HA TYR 108 9.559 1.587 -0.632 321 HB2 TYR 108 2HB TYR 108 8.375 -0.210 -1.718 322 HB3 TYR 108 1HB TYR 108 7.256 -0.343 -0.368 323 HD1 TYR 108 1HD TYR 108 5.349 1.104 -0.204 324 HD2 TYR 108 2HD TYR 108 8.252 1.762 -3.237 325 HE1 TYR 108 1HE TYR 108 3.842 2.702 -1.291 326 HE2 TYR 108 2HE TYR 108 6.760 3.348 -4.333 327 HH TYR 108 HH TYR 108 4.415 3.892 -4.423 328 H HIS 109 H HIS 109 7.358 0.403 1.902 329 HA HIS 109 HA HIS 109 6.280 2.995 2.145 330 HB2 HIS 109 2HB HIS 109 5.862 0.512 3.762 331 HB3 HIS 109 1HB HIS 109 5.192 2.059 4.289 332 HD1 HIS 109 1HD HIS 109 3.468 3.205 2.619 333 HD2 HIS 109 2HD HIS 109 4.486 -0.719 1.727 334 HE1 HIS 109 1HE HIS 109 1.776 2.422 0.960 335 H ALA 110 H ALA 110 8.994 1.511 3.560 336 HA ALA 110 HA ALA 110 9.216 3.336 5.751 337 HB1 ALA 110 1HB ALA 110 10.236 1.105 5.838 338 HB2 ALA 110 2HB ALA 110 11.451 2.370 6.045 339 HB3 ALA 110 3HB ALA 110 11.292 1.541 4.499 340 H ALA 111 H ALA 111 10.017 3.460 2.343 341 HA ALA 111 HA ALA 111 11.872 5.688 2.799 342 HB1 ALA 111 1HB ALA 111 12.620 3.862 1.357 343 HB2 ALA 111 2HB ALA 111 12.387 5.350 0.418 344 HB3 ALA 111 3HB ALA 111 11.176 4.076 0.369 345 H THR 112 H THR 112 8.968 4.682 1.225 346 HA THR 112 HA THR 112 8.446 7.344 0.283 347 HB THR 112 HB THR 112 7.893 4.580 -0.841 348 HG1 THR 112 1HG THR 112 9.637 4.904 -1.749 349 HG21 THR 112 1HG2 THR 112 6.048 5.973 -1.198 350 HG22 THR 112 2HG2 THR 112 6.960 5.719 -2.715 351 HG23 THR 112 3HG2 THR 112 7.084 7.278 -1.819 Start of MODEL 6 1 H MET 65 1HT MET 65 1.574 14.273 -16.315 2 HA MET 65 HA MET 65 4.246 13.107 -15.776 3 HB2 MET 65 2HB MET 65 5.160 15.282 -16.235 4 HB3 MET 65 1HB MET 65 4.153 14.846 -17.603 5 HG2 MET 65 2HG MET 65 3.377 16.723 -15.375 6 HG3 MET 65 1HG MET 65 3.918 17.198 -16.981 7 HE1 MET 65 1HE MET 65 0.091 18.128 -16.954 8 HE2 MET 65 2HE MET 65 1.740 18.739 -17.131 9 HE3 MET 65 3HE MET 65 1.171 18.182 -15.560 10 H SER 66 H SER 66 1.392 14.254 -14.338 11 HA SER 66 HA SER 66 2.920 15.240 -12.095 12 HB2 SER 66 2HB SER 66 1.677 17.007 -13.327 13 HB3 SER 66 1HB SER 66 0.187 16.121 -13.032 14 HG SER 66 HG SER 66 1.746 16.685 -10.820 15 H GLY 67 H GLY 67 2.932 13.502 -10.829 16 HA2 GLY 67 2HA GLY 67 0.355 12.249 -10.196 17 HA3 GLY 67 1HA GLY 67 1.891 11.385 -10.204 18 H SER 68 H SER 68 0.049 13.852 -8.596 19 HA SER 68 HA SER 68 1.394 13.131 -6.114 20 HB2 SER 68 2HB SER 68 1.245 16.006 -7.064 21 HB3 SER 68 1HB SER 68 1.862 15.469 -5.498 22 HG SER 68 HG SER 68 3.074 14.040 -7.304 23 H GLY 69 H GLY 69 -1.372 13.498 -7.710 24 HA2 GLY 69 2HA GLY 69 -3.492 13.257 -6.820 25 HA3 GLY 69 1HA GLY 69 -2.890 13.839 -5.272 26 H ARG 70 H ARG 70 -4.326 14.700 -8.269 27 HA ARG 70 HA ARG 70 -4.403 17.510 -7.378 28 HB2 ARG 70 2HB ARG 70 -4.764 16.473 -10.186 29 HB3 ARG 70 1HB ARG 70 -4.931 18.144 -9.681 30 HG2 ARG 70 2HG ARG 70 -2.517 17.889 -8.824 31 HG3 ARG 70 1HG ARG 70 -2.470 16.472 -9.875 32 HD2 ARG 70 2HD ARG 70 -3.190 17.870 -11.749 33 HD3 ARG 70 1HD ARG 70 -3.195 19.247 -10.631 34 HE ARG 70 HE ARG 70 -0.726 17.729 -11.135 35 HH11 ARG 70 1HH1 ARG 70 -2.397 20.851 -11.198 36 HH12 ARG 70 2HH1 ARG 70 -0.984 21.749 -11.541 37 HH21 ARG 70 1HH2 ARG 70 1.124 18.903 -11.543 38 HH22 ARG 70 2HH2 ARG 70 1.121 20.612 -11.719 39 H GLY 71 H GLY 71 -6.358 15.219 -9.286 40 HA2 GLY 71 2HA GLY 71 -8.796 16.588 -8.799 41 HA3 GLY 71 1HA GLY 71 -8.626 14.959 -9.444 42 H ARG 72 H ARG 72 -7.156 13.917 -7.299 43 HA ARG 72 HA ARG 72 -8.846 14.120 -4.916 44 HB2 ARG 72 2HB ARG 72 -8.057 11.507 -6.222 45 HB3 ARG 72 1HB ARG 72 -8.910 11.686 -4.711 46 HG2 ARG 72 2HG ARG 72 -10.854 12.535 -5.920 47 HG3 ARG 72 1HG ARG 72 -9.975 12.352 -7.447 48 HD2 ARG 72 2HD ARG 72 -9.630 9.956 -6.884 49 HD3 ARG 72 1HD ARG 72 -10.663 10.194 -5.481 50 HE ARG 72 HE ARG 72 -12.053 11.039 -7.719 51 HH11 ARG 72 1HH1 ARG 72 -10.845 8.057 -6.237 52 HH12 ARG 72 2HH1 ARG 72 -11.937 7.042 -7.058 53 HH21 ARG 72 1HH2 ARG 72 -13.539 9.626 -8.866 54 HH22 ARG 72 2HH2 ARG 72 -13.494 7.937 -8.562 55 H GLY 73 H GLY 73 -7.662 12.488 -3.301 56 HA2 GLY 73 2HA GLY 73 -4.797 13.025 -3.461 57 HA3 GLY 73 1HA GLY 73 -5.663 12.414 -2.050 58 H ALA 74 H ALA 74 -5.620 11.372 -5.378 59 HA ALA 74 HA ALA 74 -5.064 8.604 -4.520 60 HB1 ALA 74 1HB ALA 74 -7.245 8.947 -5.609 61 HB2 ALA 74 2HB ALA 74 -6.177 7.946 -6.590 62 HB3 ALA 74 3HB ALA 74 -6.424 9.639 -7.007 63 H ILE 75 H ILE 75 -3.897 7.335 -6.143 64 HA ILE 75 HA ILE 75 -1.533 8.840 -6.868 65 HB ILE 75 HB ILE 75 -1.996 5.836 -6.832 66 HG12 ILE 75 2HG1 ILE 75 -0.646 7.547 -4.748 67 HG13 ILE 75 1HG1 ILE 75 -2.328 7.051 -4.653 68 HG21 ILE 75 1HG2 ILE 75 -0.069 6.560 -8.214 69 HG22 ILE 75 2HG2 ILE 75 0.462 5.700 -6.767 70 HG23 ILE 75 3HG2 ILE 75 0.573 7.457 -6.835 71 HD11 ILE 75 1HD1 ILE 75 -0.898 5.656 -3.284 72 HD12 ILE 75 2HD1 ILE 75 0.056 5.209 -4.708 73 HD13 ILE 75 3HD1 ILE 75 -1.647 4.734 -4.582 74 H ASP 76 H ASP 76 -0.848 8.995 -8.942 75 HA ASP 76 HA ASP 76 -2.748 8.895 -11.012 76 HB2 ASP 76 2HB ASP 76 -0.791 10.414 -11.059 77 HB3 ASP 76 1HB ASP 76 0.266 9.028 -11.310 78 H ARG 77 H ARG 77 -0.054 6.770 -10.294 79 HA ARG 77 HA ARG 77 -1.170 4.791 -12.157 80 HB2 ARG 77 2HB ARG 77 1.572 5.093 -10.942 81 HB3 ARG 77 1HB ARG 77 1.037 3.526 -11.516 82 HG2 ARG 77 2HG ARG 77 2.369 4.532 -13.210 83 HG3 ARG 77 1HG ARG 77 0.701 4.537 -13.765 84 HD2 ARG 77 2HD ARG 77 1.770 6.625 -14.318 85 HD3 ARG 77 1HD ARG 77 0.529 6.898 -13.097 86 HE ARG 77 HE ARG 77 2.194 7.285 -11.495 87 HH11 ARG 77 1HH1 ARG 77 3.657 6.609 -14.682 88 HH12 ARG 77 2HH1 ARG 77 5.094 7.421 -14.317 89 HH21 ARG 77 1HH2 ARG 77 4.162 8.403 -11.051 90 HH22 ARG 77 2HH2 ARG 77 5.404 8.475 -12.225 91 H GLU 78 H GLU 78 -0.656 2.457 -11.187 92 HA GLU 78 HA GLU 78 -2.260 2.128 -8.886 93 HB2 GLU 78 2HB GLU 78 -1.192 0.458 -10.860 94 HB3 GLU 78 1HB GLU 78 -0.507 -0.117 -9.349 95 HG2 GLU 78 2HG GLU 78 -3.440 0.289 -9.854 96 HG3 GLU 78 1HG GLU 78 -2.594 -1.259 -9.957 97 H GLN 79 H GLN 79 -1.703 1.346 -6.861 98 HA GLN 79 HA GLN 79 0.462 2.476 -5.477 99 HB2 GLN 79 2HB GLN 79 -1.033 -0.077 -4.856 100 HB3 GLN 79 1HB GLN 79 -0.060 0.842 -3.719 101 HG2 GLN 79 2HG GLN 79 -1.619 2.645 -3.761 102 HG3 GLN 79 1HG GLN 79 -2.521 1.884 -5.073 103 HE21 GLN 79 1HE2 GLN 79 -4.389 1.823 -3.898 104 HE22 GLN 79 2HE2 GLN 79 -4.652 0.736 -2.580 105 H SER 80 H SER 80 -0.129 -0.740 -6.726 106 HA SER 80 HA SER 80 2.261 -2.028 -6.158 107 HB2 SER 80 2HB SER 80 0.518 -2.451 -8.583 108 HB3 SER 80 1HB SER 80 1.487 -3.648 -7.717 109 HG SER 80 HG SER 80 -1.008 -2.575 -7.103 110 H ALA 81 H ALA 81 1.313 -0.045 -8.916 111 HA ALA 81 HA ALA 81 3.598 -0.558 -10.491 112 HB1 ALA 81 1HB ALA 81 1.763 1.818 -10.550 113 HB2 ALA 81 2HB ALA 81 1.477 0.290 -11.381 114 HB3 ALA 81 3HB ALA 81 2.854 1.298 -11.838 115 H ALA 82 H ALA 82 2.715 2.018 -8.248 116 HA ALA 82 HA ALA 82 5.009 3.604 -8.575 117 HB1 ALA 82 1HB ALA 82 3.236 3.335 -6.152 118 HB2 ALA 82 2HB ALA 82 2.961 4.431 -7.506 119 HB3 ALA 82 3HB ALA 82 4.364 4.652 -6.456 120 H ILE 83 H ILE 83 4.295 0.918 -6.391 121 HA ILE 83 HA ILE 83 6.726 1.046 -4.944 122 HB ILE 83 HB ILE 83 4.964 -1.391 -5.444 123 HG12 ILE 83 2HG1 ILE 83 5.042 0.501 -3.077 124 HG13 ILE 83 1HG1 ILE 83 3.801 0.488 -4.320 125 HG21 ILE 83 1HG2 ILE 83 7.112 -0.929 -3.358 126 HG22 ILE 83 2HG2 ILE 83 7.212 -2.044 -4.720 127 HG23 ILE 83 3HG2 ILE 83 6.046 -2.331 -3.428 128 HD11 ILE 83 1HD1 ILE 83 3.041 -0.619 -2.298 129 HD12 ILE 83 2HD1 ILE 83 4.397 -1.745 -2.389 130 HD13 ILE 83 3HD1 ILE 83 3.147 -1.768 -3.633 131 H ARG 84 H ARG 84 5.763 -0.662 -7.878 132 HA ARG 84 HA ARG 84 8.178 -2.037 -8.257 133 HB2 ARG 84 2HB ARG 84 5.995 -1.226 -10.143 134 HB3 ARG 84 1HB ARG 84 7.412 -2.092 -10.711 135 HG2 ARG 84 2HG ARG 84 6.920 -3.917 -9.167 136 HG3 ARG 84 1HG ARG 84 5.519 -3.033 -8.569 137 HD2 ARG 84 2HD ARG 84 4.845 -4.733 -10.137 138 HD3 ARG 84 1HD ARG 84 4.519 -3.123 -10.777 139 HE ARG 84 HE ARG 84 6.995 -3.801 -11.723 140 HH11 ARG 84 1HH1 ARG 84 3.807 -5.352 -11.955 141 HH12 ARG 84 2HH1 ARG 84 4.012 -5.867 -13.557 142 HH21 ARG 84 1HH2 ARG 84 7.289 -4.601 -13.962 143 HH22 ARG 84 2HH2 ARG 84 6.016 -5.430 -14.721 144 H GLU 85 H GLU 85 7.115 1.148 -9.322 145 HA GLU 85 HA GLU 85 9.415 1.821 -10.776 146 HB2 GLU 85 2HB GLU 85 7.540 3.548 -9.196 147 HB3 GLU 85 1HB GLU 85 8.810 4.187 -10.232 148 HG2 GLU 85 2HG GLU 85 7.756 3.035 -12.134 149 HG3 GLU 85 1HG GLU 85 6.454 2.528 -11.058 150 H TRP 86 H TRP 86 8.633 2.189 -7.329 151 HA TRP 86 HA TRP 86 10.898 3.611 -6.553 152 HB2 TRP 86 2HB TRP 86 8.866 3.432 -5.213 153 HB3 TRP 86 1HB TRP 86 9.075 1.694 -5.083 154 HD1 TRP 86 HD TRP 86 10.146 4.971 -3.513 155 HE1 TRP 86 1HE TRP 86 11.542 4.505 -1.461 156 HE3 TRP 86 3HE TRP 86 10.689 -0.008 -4.125 157 HZ2 TRP 86 2HZ TRP 86 12.764 2.249 -0.199 158 HZ3 TRP 86 3HZ TRP 86 11.997 -1.298 -2.423 159 HH2 TRP 86 HH TRP 86 13.000 -0.172 -0.518 160 H ALA 87 H ALA 87 10.116 0.183 -6.660 161 HA ALA 87 HA ALA 87 12.434 -0.943 -5.667 162 HB1 ALA 87 1HB ALA 87 11.772 -2.938 -7.021 163 HB2 ALA 87 2HB ALA 87 10.598 -1.930 -7.856 164 HB3 ALA 87 3HB ALA 87 10.427 -2.231 -6.131 165 H ARG 88 H ARG 88 11.611 -0.153 -8.988 166 HA ARG 88 HA ARG 88 14.048 -0.917 -10.147 167 HB2 ARG 88 2HB ARG 88 11.902 0.933 -11.069 168 HB3 ARG 88 1HB ARG 88 13.347 0.625 -12.029 169 HG2 ARG 88 2HG ARG 88 12.839 -1.799 -11.921 170 HG3 ARG 88 1HG ARG 88 11.333 -1.400 -11.091 171 HD2 ARG 88 2HD ARG 88 12.123 -0.250 -13.689 172 HD3 ARG 88 1HD ARG 88 11.249 -1.784 -13.588 173 HE ARG 88 HE ARG 88 9.493 -0.500 -12.393 174 HH11 ARG 88 1HH1 ARG 88 11.644 1.297 -14.595 175 HH12 ARG 88 2HH1 ARG 88 10.463 2.437 -15.019 176 HH21 ARG 88 1HH2 ARG 88 7.832 1.092 -13.103 177 HH22 ARG 88 2HH2 ARG 88 8.275 2.317 -14.181 178 H ARG 89 H ARG 89 13.010 2.162 -8.828 179 HA ARG 89 HA ARG 89 15.272 3.682 -9.626 180 HB2 ARG 89 2HB ARG 89 13.453 4.076 -7.246 181 HB3 ARG 89 1HB ARG 89 14.604 5.250 -7.847 182 HG2 ARG 89 2HG ARG 89 12.205 4.219 -9.345 183 HG3 ARG 89 1HG ARG 89 12.314 5.761 -8.506 184 HD2 ARG 89 2HD ARG 89 14.162 6.406 -10.003 185 HD3 ARG 89 1HD ARG 89 13.954 4.887 -10.876 186 HE ARG 89 HE ARG 89 11.561 5.733 -11.183 187 HH11 ARG 89 1HH1 ARG 89 14.389 7.875 -11.121 188 HH12 ARG 89 2HH1 ARG 89 13.680 9.050 -12.109 189 HH21 ARG 89 1HH2 ARG 89 10.619 7.334 -12.518 190 HH22 ARG 89 2HH2 ARG 89 11.487 8.754 -12.914 191 H ASN 90 H ASN 90 14.588 1.711 -6.831 192 HA ASN 90 HA ASN 90 17.059 2.501 -5.511 193 HB2 ASN 90 2HB ASN 90 14.662 0.940 -4.688 194 HB3 ASN 90 1HB ASN 90 16.126 0.895 -3.695 195 HD21 ASN 90 1HD2 ASN 90 13.492 2.809 -4.882 196 HD22 ASN 90 2HD2 ASN 90 13.661 4.133 -3.800 197 H GLY 91 H GLY 91 16.099 0.071 -7.606 198 HA2 GLY 91 2HA GLY 91 17.715 -1.309 -8.643 199 HA3 GLY 91 1HA GLY 91 18.718 -1.177 -7.210 200 H HIS 92 H HIS 92 15.314 -1.980 -7.068 201 HA HIS 92 HA HIS 92 16.038 -4.633 -6.124 202 HB2 HIS 92 2HB HIS 92 13.429 -3.105 -6.014 203 HB3 HIS 92 1HB HIS 92 13.670 -4.720 -5.370 204 HD1 HIS 92 1HD HIS 92 14.601 -4.818 -2.926 205 HD2 HIS 92 2HD HIS 92 14.691 -1.041 -4.637 206 HE1 HIS 92 1HE HIS 92 15.116 -3.233 -1.068 207 H ASN 93 H ASN 93 15.801 -6.234 -7.513 208 HA ASN 93 HA ASN 93 14.642 -5.681 -10.077 209 HB2 ASN 93 2HB ASN 93 16.074 -8.121 -9.029 210 HB3 ASN 93 1HB ASN 93 15.401 -8.017 -10.655 211 HD21 ASN 93 1HD2 ASN 93 17.909 -6.946 -8.515 212 HD22 ASN 93 2HD2 ASN 93 18.876 -6.171 -9.701 213 H VAL 94 H VAL 94 12.558 -5.364 -9.371 214 HA VAL 94 HA VAL 94 11.112 -7.802 -8.696 215 HB VAL 94 HB VAL 94 10.125 -4.928 -8.617 216 HG11 VAL 94 1HG1 VAL 94 8.298 -6.490 -9.036 217 HG12 VAL 94 2HG1 VAL 94 8.180 -5.837 -7.403 218 HG13 VAL 94 3HG1 VAL 94 8.796 -7.469 -7.660 219 HG21 VAL 94 1HG2 VAL 94 11.801 -5.361 -6.900 220 HG22 VAL 94 2HG2 VAL 94 10.906 -6.782 -6.368 221 HG23 VAL 94 3HG2 VAL 94 10.203 -5.178 -6.171 222 H SER 95 H SER 95 10.930 -8.801 -10.545 223 HA SER 95 HA SER 95 8.929 -8.310 -12.348 224 HB2 SER 95 2HB SER 95 10.385 -6.388 -13.127 225 HB3 SER 95 1HB SER 95 11.606 -7.570 -13.591 226 HG SER 95 HG SER 95 9.025 -7.965 -14.509 227 H THR 96 H THR 96 11.880 -9.866 -11.379 228 HA THR 96 HA THR 96 12.105 -11.823 -13.330 229 HB THR 96 HB THR 96 13.209 -13.005 -11.248 230 HG1 THR 96 1HG THR 96 12.620 -11.802 -9.540 231 HG21 THR 96 1HG2 THR 96 14.246 -10.419 -12.427 232 HG22 THR 96 2HG2 THR 96 14.424 -12.027 -13.137 233 HG23 THR 96 3HG2 THR 96 15.228 -11.640 -11.611 234 H ARG 97 H ARG 97 10.152 -11.541 -10.475 235 HA ARG 97 HA ARG 97 8.659 -13.867 -11.323 236 HB2 ARG 97 2HB ARG 97 9.353 -13.163 -8.432 237 HB3 ARG 97 1HB ARG 97 8.327 -14.513 -8.924 238 HG2 ARG 97 2HG ARG 97 10.217 -15.536 -10.103 239 HG3 ARG 97 1HG ARG 97 11.238 -14.186 -9.637 240 HD2 ARG 97 2HD ARG 97 11.712 -16.050 -8.213 241 HD3 ARG 97 1HD ARG 97 10.887 -14.822 -7.266 242 HE ARG 97 HE ARG 97 8.876 -16.147 -7.456 243 HH11 ARG 97 1HH1 ARG 97 11.897 -17.844 -8.242 244 HH12 ARG 97 2HH1 ARG 97 11.297 -19.380 -7.839 245 HH21 ARG 97 1HH2 ARG 97 8.080 -18.242 -6.907 246 HH22 ARG 97 2HH2 ARG 97 9.076 -19.624 -7.078 247 H GLY 98 H GLY 98 6.466 -13.433 -11.353 248 HA2 GLY 98 2HA GLY 98 5.862 -10.687 -11.717 249 HA3 GLY 98 1HA GLY 98 4.785 -12.025 -11.965 250 H ARG 99 H ARG 99 6.274 -10.906 -8.955 251 HA ARG 99 HA ARG 99 3.888 -9.518 -8.145 252 HB2 ARG 99 2HB ARG 99 4.833 -11.886 -6.518 253 HB3 ARG 99 1HB ARG 99 3.806 -10.632 -5.869 254 HG2 ARG 99 2HG ARG 99 2.209 -11.302 -7.802 255 HG3 ARG 99 1HG ARG 99 3.173 -12.783 -7.837 256 HD2 ARG 99 2HD ARG 99 1.292 -13.139 -6.381 257 HD3 ARG 99 1HD ARG 99 2.751 -13.032 -5.390 258 HE ARG 99 HE ARG 99 1.504 -10.502 -5.715 259 HH11 ARG 99 1HH1 ARG 99 1.388 -13.435 -3.707 260 HH12 ARG 99 2HH1 ARG 99 0.491 -12.673 -2.465 261 HH21 ARG 99 1HH2 ARG 99 0.220 -9.521 -4.006 262 HH22 ARG 99 2HH2 ARG 99 -0.174 -10.453 -2.645 263 H ILE 100 H ILE 100 4.221 -8.352 -6.142 264 HA ILE 100 HA ILE 100 6.962 -7.440 -6.025 265 HB ILE 100 HB ILE 100 4.531 -6.291 -4.627 266 HG12 ILE 100 2HG1 ILE 100 5.781 -5.488 -7.263 267 HG13 ILE 100 1HG1 ILE 100 4.240 -6.319 -7.081 268 HG21 ILE 100 1HG2 ILE 100 6.708 -5.632 -3.679 269 HG22 ILE 100 2HG2 ILE 100 5.924 -4.265 -4.475 270 HG23 ILE 100 3HG2 ILE 100 7.248 -5.113 -5.275 271 HD11 ILE 100 1HD1 ILE 100 4.910 -3.588 -6.066 272 HD12 ILE 100 2HD1 ILE 100 3.350 -4.404 -5.883 273 HD13 ILE 100 3HD1 ILE 100 3.939 -3.960 -7.493 274 HA PRO 101 HA PRO 101 7.515 -9.971 -2.372 275 HB2 PRO 101 2HB PRO 101 9.935 -8.353 -1.981 276 HB3 PRO 101 1HB PRO 101 9.809 -10.097 -2.267 277 HG2 PRO 101 2HG PRO 101 10.772 -8.412 -4.113 278 HG3 PRO 101 1HG PRO 101 9.895 -9.896 -4.524 279 HD2 PRO 101 2HD PRO 101 8.959 -7.078 -4.637 280 HD3 PRO 101 1HD PRO 101 8.562 -8.475 -5.654 281 H ALA 102 H ALA 102 6.795 -9.634 -0.384 282 HA ALA 102 HA ALA 102 5.861 -7.212 0.606 283 HB1 ALA 102 1HB ALA 102 5.576 -8.377 2.719 284 HB2 ALA 102 2HB ALA 102 6.695 -9.636 2.196 285 HB3 ALA 102 3HB ALA 102 5.143 -9.445 1.384 286 H ASP 103 H ASP 103 9.004 -8.644 0.820 287 HA ASP 103 HA ASP 103 10.172 -7.005 2.788 288 HB2 ASP 103 2HB ASP 103 11.319 -8.979 2.020 289 HB3 ASP 103 1HB ASP 103 11.360 -8.367 0.372 290 H VAL 104 H VAL 104 9.724 -6.534 -0.678 291 HA VAL 104 HA VAL 104 11.185 -4.063 -0.752 292 HB VAL 104 HB VAL 104 9.357 -5.387 -2.806 293 HG11 VAL 104 1HG1 VAL 104 11.091 -2.940 -3.170 294 HG12 VAL 104 2HG1 VAL 104 9.330 -2.933 -3.104 295 HG13 VAL 104 3HG1 VAL 104 10.163 -3.751 -4.429 296 HG21 VAL 104 1HG2 VAL 104 11.490 -6.525 -2.391 297 HG22 VAL 104 2HG2 VAL 104 12.336 -5.007 -2.741 298 HG23 VAL 104 3HG2 VAL 104 11.422 -5.812 -4.007 299 H ILE 105 H ILE 105 7.862 -5.083 -0.508 300 HA ILE 105 HA ILE 105 6.634 -2.547 -0.740 301 HB ILE 105 HB ILE 105 5.689 -4.963 0.829 302 HG12 ILE 105 2HG1 ILE 105 4.990 -4.069 -1.978 303 HG13 ILE 105 1HG1 ILE 105 6.103 -5.373 -1.581 304 HG21 ILE 105 1HG2 ILE 105 3.441 -3.982 0.642 305 HG22 ILE 105 2HG2 ILE 105 4.134 -2.553 -0.141 306 HG23 ILE 105 3HG2 ILE 105 4.533 -2.912 1.529 307 HD11 ILE 105 1HD1 ILE 105 3.937 -6.215 -2.251 308 HD12 ILE 105 2HD1 ILE 105 3.159 -5.312 -0.945 309 HD13 ILE 105 3HD1 ILE 105 4.275 -6.629 -0.574 310 H ASP 106 H ASP 106 7.885 -4.330 2.037 311 HA ASP 106 HA ASP 106 7.037 -2.391 3.929 312 HB2 ASP 106 2HB ASP 106 7.448 -4.721 4.586 313 HB3 ASP 106 1HB ASP 106 9.159 -4.523 4.221 314 H ALA 107 H ALA 107 10.057 -3.037 2.245 315 HA ALA 107 HA ALA 107 11.611 -1.030 3.410 316 HB1 ALA 107 1HB ALA 107 12.500 -2.795 1.944 317 HB2 ALA 107 2HB ALA 107 12.995 -1.192 1.396 318 HB3 ALA 107 3HB ALA 107 11.687 -2.053 0.568 319 H TYR 108 H TYR 108 9.448 -0.983 0.635 320 HA TYR 108 HA TYR 108 9.659 1.617 -0.252 321 HB2 TYR 108 2HB TYR 108 8.315 -0.082 -1.409 322 HB3 TYR 108 1HB TYR 108 7.200 -0.137 -0.055 323 HD1 TYR 108 1HD TYR 108 5.499 1.601 0.224 324 HD2 TYR 108 2HD TYR 108 8.291 1.780 -2.965 325 HE1 TYR 108 1HE TYR 108 4.123 3.310 -0.877 326 HE2 TYR 108 2HE TYR 108 6.947 3.479 -4.070 327 HH TYR 108 HH TYR 108 4.476 5.146 -2.521 328 H HIS 109 H HIS 109 7.344 0.338 2.132 329 HA HIS 109 HA HIS 109 6.435 2.912 2.733 330 HB2 HIS 109 2HB HIS 109 5.929 0.277 4.058 331 HB3 HIS 109 1HB HIS 109 5.335 1.770 4.784 332 HD1 HIS 109 1HD HIS 109 3.660 3.199 3.248 333 HD2 HIS 109 2HD HIS 109 4.446 -0.669 1.959 334 HE1 HIS 109 1HE HIS 109 1.913 2.683 1.518 335 H ALA 110 H ALA 110 9.086 1.149 3.951 336 HA ALA 110 HA ALA 110 9.384 2.777 6.301 337 HB1 ALA 110 1HB ALA 110 11.487 1.584 6.631 338 HB2 ALA 110 2HB ALA 110 11.344 0.874 5.021 339 HB3 ALA 110 3HB ALA 110 10.174 0.459 6.272 340 H ALA 111 H ALA 111 10.295 3.078 2.951 341 HA ALA 111 HA ALA 111 12.389 5.048 3.608 342 HB1 ALA 111 1HB ALA 111 12.873 4.966 1.217 343 HB2 ALA 111 2HB ALA 111 11.481 3.917 0.979 344 HB3 ALA 111 3HB ALA 111 12.876 3.325 1.890 345 H THR 112 H THR 112 9.376 4.555 2.050 346 HA THR 112 HA THR 112 9.142 7.324 1.386 347 HB THR 112 HB THR 112 8.172 4.745 0.172 348 HG1 THR 112 1HG THR 112 10.197 6.512 -0.269 349 HG21 THR 112 1HG2 THR 112 7.165 6.090 -1.540 350 HG22 THR 112 2HG2 THR 112 7.558 7.565 -0.595 351 HG23 THR 112 3HG2 THR 112 6.433 6.333 0.056 Start of MODEL 7 1 H MET 65 1HT MET 65 10.719 19.947 -18.242 2 HA MET 65 HA MET 65 9.581 21.466 -16.842 3 HB2 MET 65 2HB MET 65 7.292 21.011 -16.078 4 HB3 MET 65 1HB MET 65 7.336 21.263 -17.813 5 HG2 MET 65 2HG MET 65 7.195 18.851 -18.176 6 HG3 MET 65 1HG MET 65 7.190 18.589 -16.436 7 HE1 MET 65 1HE MET 65 5.073 17.387 -18.466 8 HE2 MET 65 2HE MET 65 3.565 17.633 -17.586 9 HE3 MET 65 3HE MET 65 5.006 17.089 -16.729 10 H SER 66 H SER 66 9.691 17.932 -16.998 11 HA SER 66 HA SER 66 10.188 16.335 -15.595 12 HB2 SER 66 2HB SER 66 11.494 18.566 -14.014 13 HB3 SER 66 1HB SER 66 11.752 16.845 -13.705 14 HG SER 66 HG SER 66 12.114 17.240 -16.283 15 H GLY 67 H GLY 67 10.043 15.746 -13.008 16 HA2 GLY 67 2HA GLY 67 8.616 16.374 -11.076 17 HA3 GLY 67 1HA GLY 67 7.350 16.701 -12.256 18 H SER 68 H SER 68 9.661 14.056 -11.947 19 HA SER 68 HA SER 68 7.565 12.142 -12.433 20 HB2 SER 68 2HB SER 68 10.520 11.788 -11.973 21 HB3 SER 68 1HB SER 68 9.398 10.560 -12.564 22 HG SER 68 HG SER 68 8.895 12.184 -14.225 23 H GLY 69 H GLY 69 8.897 13.614 -9.719 24 HA2 GLY 69 2HA GLY 69 8.692 11.317 -7.975 25 HA3 GLY 69 1HA GLY 69 9.162 12.957 -7.516 26 H ARG 70 H ARG 70 6.451 11.053 -8.587 27 HA ARG 70 HA ARG 70 4.579 13.025 -7.654 28 HB2 ARG 70 2HB ARG 70 4.147 10.310 -8.882 29 HB3 ARG 70 1HB ARG 70 2.856 11.413 -8.424 30 HG2 ARG 70 2HG ARG 70 5.007 12.034 -10.448 31 HG3 ARG 70 1HG ARG 70 3.375 11.493 -10.838 32 HD2 ARG 70 2HD ARG 70 2.447 13.468 -9.776 33 HD3 ARG 70 1HD ARG 70 4.065 14.007 -9.320 34 HE ARG 70 HE ARG 70 4.182 13.660 -11.994 35 HH11 ARG 70 1HH1 ARG 70 2.095 15.588 -9.852 36 HH12 ARG 70 2HH1 ARG 70 1.944 16.889 -10.938 37 HH21 ARG 70 1HH2 ARG 70 3.893 15.417 -13.514 38 HH22 ARG 70 2HH2 ARG 70 2.949 16.777 -13.071 39 H GLY 71 H GLY 71 4.348 13.228 -5.603 40 HA2 GLY 71 2HA GLY 71 3.719 10.827 -4.054 41 HA3 GLY 71 1HA GLY 71 4.505 12.257 -3.362 42 H ARG 72 H ARG 72 1.603 10.781 -3.792 43 HA ARG 72 HA ARG 72 0.203 13.373 -3.857 44 HB2 ARG 72 2HB ARG 72 -0.927 10.724 -4.756 45 HB3 ARG 72 1HB ARG 72 -1.708 12.289 -4.869 46 HG2 ARG 72 2HG ARG 72 0.125 13.001 -6.423 47 HG3 ARG 72 1HG ARG 72 0.708 11.342 -6.396 48 HD2 ARG 72 2HD ARG 72 -1.523 10.591 -7.189 49 HD3 ARG 72 1HD ARG 72 -2.005 12.280 -7.323 50 HE ARG 72 HE ARG 72 -0.085 10.838 -8.966 51 HH11 ARG 72 1HH1 ARG 72 -1.717 13.935 -8.319 52 HH12 ARG 72 2HH1 ARG 72 -1.571 14.512 -9.912 53 HH21 ARG 72 1HH2 ARG 72 0.111 11.667 -11.187 54 HH22 ARG 72 2HH2 ARG 72 -0.510 13.204 -11.569 55 H GLY 73 H GLY 73 -0.075 10.057 -2.645 56 HA2 GLY 73 2HA GLY 73 -0.656 9.601 -0.367 57 HA3 GLY 73 1HA GLY 73 -1.570 11.115 -0.342 58 H ALA 74 H ALA 74 -2.954 11.044 -2.601 59 HA ALA 74 HA ALA 74 -4.892 8.903 -2.253 60 HB1 ALA 74 1HB ALA 74 -6.157 10.090 -3.987 61 HB2 ALA 74 2HB ALA 74 -4.806 11.202 -4.223 62 HB3 ALA 74 3HB ALA 74 -5.689 11.194 -2.694 63 H ILE 75 H ILE 75 -5.701 7.908 -4.336 64 HA ILE 75 HA ILE 75 -3.315 6.784 -5.573 65 HB ILE 75 HB ILE 75 -6.060 5.638 -5.191 66 HG12 ILE 75 2HG1 ILE 75 -3.432 4.965 -3.859 67 HG13 ILE 75 1HG1 ILE 75 -4.723 5.911 -3.138 68 HG21 ILE 75 1HG2 ILE 75 -5.039 4.743 -7.226 69 HG22 ILE 75 2HG2 ILE 75 -5.080 3.500 -5.973 70 HG23 ILE 75 3HG2 ILE 75 -3.573 4.342 -6.332 71 HD11 ILE 75 1HD1 ILE 75 -4.852 3.035 -3.951 72 HD12 ILE 75 2HD1 ILE 75 -6.177 3.985 -3.233 73 HD13 ILE 75 3HD1 ILE 75 -4.703 3.677 -2.309 74 H ASP 76 H ASP 76 -2.954 7.404 -7.438 75 HA ASP 76 HA ASP 76 -5.113 7.938 -9.392 76 HB2 ASP 76 2HB ASP 76 -3.748 9.951 -9.040 77 HB3 ASP 76 1HB ASP 76 -2.274 9.028 -9.337 78 H ARG 77 H ARG 77 -1.890 6.703 -8.899 79 HA ARG 77 HA ARG 77 -2.209 4.858 -11.155 80 HB2 ARG 77 2HB ARG 77 0.272 5.677 -9.614 81 HB3 ARG 77 1HB ARG 77 0.238 4.569 -10.972 82 HG2 ARG 77 2HG ARG 77 -0.491 7.486 -11.075 83 HG3 ARG 77 1HG ARG 77 1.046 6.783 -11.591 84 HD2 ARG 77 2HD ARG 77 -1.668 6.164 -12.772 85 HD3 ARG 77 1HD ARG 77 -0.461 7.230 -13.487 86 HE ARG 77 HE ARG 77 0.495 4.577 -12.944 87 HH11 ARG 77 1HH1 ARG 77 -1.201 6.557 -15.333 88 HH12 ARG 77 2HH1 ARG 77 -0.777 5.579 -16.649 89 HH21 ARG 77 1HH2 ARG 77 1.086 3.232 -14.774 90 HH22 ARG 77 2HH2 ARG 77 0.570 3.670 -16.331 91 H GLU 78 H GLU 78 -1.144 2.701 -10.604 92 HA GLU 78 HA GLU 78 -2.435 1.707 -8.274 93 HB2 GLU 78 2HB GLU 78 -1.439 0.596 -10.631 94 HB3 GLU 78 1HB GLU 78 -0.494 -0.128 -9.336 95 HG2 GLU 78 2HG GLU 78 -3.494 -0.085 -9.513 96 HG3 GLU 78 1HG GLU 78 -2.438 -1.463 -9.852 97 H GLN 79 H GLN 79 -1.612 1.019 -6.364 98 HA GLN 79 HA GLN 79 0.686 2.317 -5.428 99 HB2 GLN 79 2HB GLN 79 -0.648 -0.084 -4.167 100 HB3 GLN 79 1HB GLN 79 0.473 1.004 -3.383 101 HG2 GLN 79 2HG GLN 79 -1.214 2.842 -3.796 102 HG3 GLN 79 1HG GLN 79 -2.346 1.563 -4.245 103 HE21 GLN 79 1HE2 GLN 79 -3.705 1.906 -2.489 104 HE22 GLN 79 2HE2 GLN 79 -3.231 1.512 -0.869 105 H SER 80 H SER 80 0.010 -0.947 -6.605 106 HA SER 80 HA SER 80 2.448 -2.163 -5.950 107 HB2 SER 80 2HB SER 80 0.714 -2.742 -8.349 108 HB3 SER 80 1HB SER 80 1.793 -3.866 -7.516 109 HG SER 80 HG SER 80 -0.682 -2.851 -6.836 110 H ALA 81 H ALA 81 1.392 -0.257 -8.708 111 HA ALA 81 HA ALA 81 3.660 -0.680 -10.331 112 HB1 ALA 81 1HB ALA 81 1.549 0.177 -11.237 113 HB2 ALA 81 2HB ALA 81 2.890 1.270 -11.593 114 HB3 ALA 81 3HB ALA 81 1.754 1.658 -10.301 115 H ALA 82 H ALA 82 2.748 1.858 -8.043 116 HA ALA 82 HA ALA 82 5.008 3.462 -8.306 117 HB1 ALA 82 1HB ALA 82 2.969 4.162 -7.131 118 HB2 ALA 82 2HB ALA 82 4.402 4.385 -6.128 119 HB3 ALA 82 3HB ALA 82 3.327 3.018 -5.838 120 H ILE 83 H ILE 83 4.425 0.700 -6.153 121 HA ILE 83 HA ILE 83 6.891 0.803 -4.796 122 HB ILE 83 HB ILE 83 5.243 -1.686 -5.400 123 HG12 ILE 83 2HG1 ILE 83 5.193 0.119 -2.967 124 HG13 ILE 83 1HG1 ILE 83 3.972 0.101 -4.232 125 HG21 ILE 83 1HG2 ILE 83 7.517 -2.229 -4.668 126 HG22 ILE 83 2HG2 ILE 83 6.352 -2.634 -3.407 127 HG23 ILE 83 3HG2 ILE 83 7.331 -1.173 -3.266 128 HD11 ILE 83 1HD1 ILE 83 3.406 -2.202 -3.650 129 HD12 ILE 83 2HD1 ILE 83 3.240 -1.119 -2.263 130 HD13 ILE 83 3HD1 ILE 83 4.642 -2.181 -2.391 131 H ARG 84 H ARG 84 5.942 -0.835 -7.771 132 HA ARG 84 HA ARG 84 8.330 -2.219 -8.308 133 HB2 ARG 84 2HB ARG 84 6.200 -1.126 -10.120 134 HB3 ARG 84 1HB ARG 84 7.584 -2.034 -10.710 135 HG2 ARG 84 2HG ARG 84 6.913 -3.980 -9.570 136 HG3 ARG 84 1HG ARG 84 5.704 -3.094 -8.639 137 HD2 ARG 84 2HD ARG 84 4.745 -4.425 -10.470 138 HD3 ARG 84 1HD ARG 84 4.408 -2.697 -10.586 139 HE ARG 84 HE ARG 84 6.684 -3.193 -12.087 140 HH11 ARG 84 1HH1 ARG 84 3.260 -4.085 -12.184 141 HH12 ARG 84 2HH1 ARG 84 3.177 -4.229 -13.872 142 HH21 ARG 84 1HH2 ARG 84 6.597 -3.413 -14.425 143 HH22 ARG 84 2HH2 ARG 84 5.152 -3.874 -15.184 144 H GLU 85 H GLU 85 7.206 0.967 -9.296 145 HA GLU 85 HA GLU 85 9.410 1.725 -10.821 146 HB2 GLU 85 2HB GLU 85 7.539 3.437 -9.193 147 HB3 GLU 85 1HB GLU 85 8.623 4.042 -10.445 148 HG2 GLU 85 2HG GLU 85 6.317 2.142 -10.838 149 HG3 GLU 85 1HG GLU 85 6.323 3.856 -11.236 150 H TRP 86 H TRP 86 8.672 2.256 -7.357 151 HA TRP 86 HA TRP 86 10.918 3.775 -6.728 152 HB2 TRP 86 2HB TRP 86 8.958 3.666 -5.298 153 HB3 TRP 86 1HB TRP 86 9.169 1.939 -5.077 154 HD1 TRP 86 HD TRP 86 10.361 5.293 -3.742 155 HE1 TRP 86 1HE TRP 86 11.815 4.897 -1.661 156 HE3 TRP 86 3HE TRP 86 10.729 0.272 -4.030 157 HZ2 TRP 86 2HZ TRP 86 12.968 2.703 -0.299 158 HZ3 TRP 86 3HZ TRP 86 12.031 -0.952 -2.278 159 HH2 TRP 86 HH TRP 86 13.115 0.260 -0.465 160 H ALA 87 H ALA 87 10.292 0.312 -6.637 161 HA ALA 87 HA ALA 87 12.679 -0.579 -5.517 162 HB1 ALA 87 1HB ALA 87 10.683 -1.997 -5.878 163 HB2 ALA 87 2HB ALA 87 12.129 -2.747 -6.551 164 HB3 ALA 87 3HB ALA 87 10.982 -1.977 -7.607 165 H ARG 88 H ARG 88 11.822 -0.057 -8.861 166 HA ARG 88 HA ARG 88 14.389 -0.863 -9.752 167 HB2 ARG 88 2HB ARG 88 12.060 0.312 -11.182 168 HB3 ARG 88 1HB ARG 88 13.589 -0.051 -11.986 169 HG2 ARG 88 2HG ARG 88 13.430 -2.366 -11.161 170 HG3 ARG 88 1HG ARG 88 11.842 -1.985 -10.498 171 HD2 ARG 88 2HD ARG 88 11.011 -1.496 -12.676 172 HD3 ARG 88 1HD ARG 88 12.651 -1.697 -13.327 173 HE ARG 88 HE ARG 88 12.324 -4.046 -12.233 174 HH11 ARG 88 1HH1 ARG 88 9.930 -2.300 -14.154 175 HH12 ARG 88 2HH1 ARG 88 9.288 -3.689 -14.881 176 HH21 ARG 88 1HH2 ARG 88 11.440 -5.990 -13.254 177 HH22 ARG 88 2HH2 ARG 88 10.152 -5.838 -14.348 178 H ARG 89 H ARG 89 13.032 2.193 -8.865 179 HA ARG 89 HA ARG 89 15.106 3.780 -10.036 180 HB2 ARG 89 2HB ARG 89 13.464 4.420 -7.569 181 HB3 ARG 89 1HB ARG 89 14.456 5.560 -8.451 182 HG2 ARG 89 2HG ARG 89 11.928 4.231 -9.401 183 HG3 ARG 89 1HG ARG 89 12.134 5.918 -8.949 184 HD2 ARG 89 2HD ARG 89 13.686 6.210 -10.832 185 HD3 ARG 89 1HD ARG 89 13.419 4.522 -11.284 186 HE ARG 89 HE ARG 89 11.256 6.494 -11.155 187 HH11 ARG 89 1HH1 ARG 89 13.043 4.077 -13.014 188 HH12 ARG 89 2HH1 ARG 89 11.880 3.914 -14.237 189 HH21 ARG 89 1HH2 ARG 89 9.625 6.268 -12.891 190 HH22 ARG 89 2HH2 ARG 89 9.900 5.150 -14.145 191 H ASN 90 H ASN 90 14.683 2.078 -7.015 192 HA ASN 90 HA ASN 90 17.123 3.203 -5.940 193 HB2 ASN 90 2HB ASN 90 14.938 1.545 -4.785 194 HB3 ASN 90 1HB ASN 90 16.449 1.787 -3.897 195 HD21 ASN 90 1HD2 ASN 90 13.559 3.251 -5.127 196 HD22 ASN 90 2HD2 ASN 90 13.684 4.738 -4.273 197 H GLY 91 H GLY 91 16.186 0.260 -7.460 198 HA2 GLY 91 2HA GLY 91 18.015 -1.005 -8.447 199 HA3 GLY 91 1HA GLY 91 18.959 -0.641 -7.015 200 H HIS 92 H HIS 92 15.645 -1.617 -6.662 201 HA HIS 92 HA HIS 92 16.524 -4.107 -5.447 202 HB2 HIS 92 2HB HIS 92 13.819 -2.737 -5.501 203 HB3 HIS 92 1HB HIS 92 14.166 -4.242 -4.666 204 HD1 HIS 92 1HD HIS 92 15.061 -3.990 -2.245 205 HD2 HIS 92 2HD HIS 92 15.017 -0.461 -4.417 206 HE1 HIS 92 1HE HIS 92 15.559 -2.156 -0.593 207 H ASN 93 H ASN 93 15.770 -6.077 -6.247 208 HA ASN 93 HA ASN 93 14.900 -5.939 -9.014 209 HB2 ASN 93 2HB ASN 93 16.003 -8.244 -7.391 210 HB3 ASN 93 1HB ASN 93 15.395 -8.417 -9.029 211 HD21 ASN 93 1HD2 ASN 93 17.954 -7.214 -7.041 212 HD22 ASN 93 2HD2 ASN 93 19.059 -6.861 -8.309 213 H VAL 94 H VAL 94 12.867 -5.966 -9.359 214 HA VAL 94 HA VAL 94 11.020 -7.198 -7.501 215 HB VAL 94 HB VAL 94 10.395 -5.884 -10.182 216 HG11 VAL 94 1HG1 VAL 94 8.693 -6.255 -7.737 217 HG12 VAL 94 2HG1 VAL 94 8.593 -7.247 -9.192 218 HG13 VAL 94 3HG1 VAL 94 8.191 -5.521 -9.258 219 HG21 VAL 94 1HG2 VAL 94 10.511 -4.573 -7.480 220 HG22 VAL 94 2HG2 VAL 94 9.925 -3.837 -8.972 221 HG23 VAL 94 3HG2 VAL 94 11.619 -4.303 -8.825 222 H SER 95 H SER 95 9.740 -9.029 -8.092 223 HA SER 95 HA SER 95 11.152 -10.941 -9.559 224 HB2 SER 95 2HB SER 95 9.800 -11.548 -7.646 225 HB3 SER 95 1HB SER 95 8.346 -10.962 -8.447 226 HG SER 95 HG SER 95 9.079 -13.308 -8.409 227 H THR 96 H THR 96 11.109 -11.474 -11.635 228 HA THR 96 HA THR 96 9.605 -10.031 -13.540 229 HB THR 96 HB THR 96 10.932 -12.498 -14.421 230 HG1 THR 96 1HG THR 96 12.847 -12.161 -13.514 231 HG21 THR 96 1HG2 THR 96 11.461 -9.561 -14.961 232 HG22 THR 96 2HG2 THR 96 10.371 -10.586 -15.890 233 HG23 THR 96 3HG2 THR 96 12.099 -10.915 -15.891 234 H ARG 97 H ARG 97 8.923 -12.628 -11.566 235 HA ARG 97 HA ARG 97 7.200 -14.156 -13.289 236 HB2 ARG 97 2HB ARG 97 7.460 -14.053 -10.277 237 HB3 ARG 97 1HB ARG 97 6.480 -15.210 -11.162 238 HG2 ARG 97 2HG ARG 97 8.420 -16.196 -12.153 239 HG3 ARG 97 1HG ARG 97 9.459 -14.944 -11.471 240 HD2 ARG 97 2HD ARG 97 9.554 -17.070 -10.199 241 HD3 ARG 97 1HD ARG 97 8.995 -15.712 -9.236 242 HE ARG 97 HE ARG 97 6.749 -16.532 -9.502 243 HH11 ARG 97 1HH1 ARG 97 9.301 -18.884 -10.260 244 HH12 ARG 97 2HH1 ARG 97 8.338 -20.236 -9.847 245 HH21 ARG 97 1HH2 ARG 97 5.471 -18.380 -8.949 246 HH22 ARG 97 2HH2 ARG 97 6.122 -19.955 -9.112 247 H GLY 98 H GLY 98 7.015 -11.221 -11.611 248 HA2 GLY 98 2HA GLY 98 5.223 -9.712 -11.913 249 HA3 GLY 98 1HA GLY 98 4.151 -11.084 -12.162 250 H ARG 99 H ARG 99 6.451 -10.693 -9.555 251 HA ARG 99 HA ARG 99 4.234 -10.291 -7.709 252 HB2 ARG 99 2HB ARG 99 4.864 -12.661 -7.532 253 HB3 ARG 99 1HB ARG 99 6.556 -12.211 -7.323 254 HG2 ARG 99 2HG ARG 99 5.945 -11.032 -5.239 255 HG3 ARG 99 1HG ARG 99 4.293 -11.592 -5.430 256 HD2 ARG 99 2HD ARG 99 5.037 -13.904 -5.233 257 HD3 ARG 99 1HD ARG 99 6.716 -13.370 -5.114 258 HE ARG 99 HE ARG 99 4.930 -12.212 -3.179 259 HH11 ARG 99 1HH1 ARG 99 7.061 -14.967 -3.762 260 HH12 ARG 99 2HH1 ARG 99 7.460 -15.160 -2.104 261 HH21 ARG 99 1HH2 ARG 99 5.438 -12.509 -0.954 262 HH22 ARG 99 2HH2 ARG 99 6.481 -13.766 -0.480 263 H ILE 100 H ILE 100 4.654 -8.706 -6.284 264 HA ILE 100 HA ILE 100 7.289 -7.512 -6.403 265 HB ILE 100 HB ILE 100 4.836 -6.549 -4.898 266 HG12 ILE 100 2HG1 ILE 100 5.940 -5.695 -7.578 267 HG13 ILE 100 1HG1 ILE 100 4.472 -6.635 -7.334 268 HG21 ILE 100 1HG2 ILE 100 7.423 -5.151 -5.638 269 HG22 ILE 100 2HG2 ILE 100 6.980 -5.693 -4.020 270 HG23 ILE 100 3HG2 ILE 100 6.054 -4.411 -4.807 271 HD11 ILE 100 1HD1 ILE 100 4.979 -3.840 -6.397 272 HD12 ILE 100 2HD1 ILE 100 3.494 -4.760 -6.127 273 HD13 ILE 100 3HD1 ILE 100 3.979 -4.316 -7.771 274 HA PRO 101 HA PRO 101 8.259 -9.904 -2.751 275 HB2 PRO 101 2HB PRO 101 10.545 -8.062 -2.459 276 HB3 PRO 101 1HB PRO 101 10.565 -9.820 -2.711 277 HG2 PRO 101 2HG PRO 101 11.333 -8.133 -4.633 278 HG3 PRO 101 1HG PRO 101 10.503 -9.661 -4.980 279 HD2 PRO 101 2HD PRO 101 9.396 -6.889 -5.018 280 HD3 PRO 101 1HD PRO 101 9.060 -8.278 -6.075 281 H ALA 102 H ALA 102 7.546 -9.650 -0.765 282 HA ALA 102 HA ALA 102 6.352 -7.283 0.159 283 HB1 ALA 102 1HB ALA 102 6.049 -8.477 2.264 284 HB2 ALA 102 2HB ALA 102 7.205 -9.707 1.752 285 HB3 ALA 102 3HB ALA 102 5.673 -9.530 0.902 286 H ASP 103 H ASP 103 9.521 -8.589 0.515 287 HA ASP 103 HA ASP 103 10.570 -6.989 2.564 288 HB2 ASP 103 2HB ASP 103 11.967 -7.965 0.048 289 HB3 ASP 103 1HB ASP 103 12.774 -7.333 1.471 290 H VAL 104 H VAL 104 10.146 -6.386 -0.878 291 HA VAL 104 HA VAL 104 11.462 -3.841 -0.825 292 HB VAL 104 HB VAL 104 9.790 -5.233 -2.956 293 HG11 VAL 104 1HG1 VAL 104 10.472 -3.500 -4.505 294 HG12 VAL 104 2HG1 VAL 104 11.334 -2.648 -3.227 295 HG13 VAL 104 3HG1 VAL 104 9.572 -2.769 -3.173 296 HG21 VAL 104 1HG2 VAL 104 12.727 -4.607 -2.799 297 HG22 VAL 104 2HG2 VAL 104 11.920 -5.450 -4.118 298 HG23 VAL 104 3HG2 VAL 104 12.004 -6.192 -2.512 299 H ILE 105 H ILE 105 8.188 -5.058 -0.767 300 HA ILE 105 HA ILE 105 6.808 -2.612 -0.907 301 HB ILE 105 HB ILE 105 6.001 -5.119 0.604 302 HG12 ILE 105 2HG1 ILE 105 5.290 -4.233 -2.211 303 HG13 ILE 105 1HG1 ILE 105 6.480 -5.464 -1.812 304 HG21 ILE 105 1HG2 ILE 105 3.689 -4.273 0.382 305 HG22 ILE 105 2HG2 ILE 105 4.319 -2.782 -0.337 306 HG23 ILE 105 3HG2 ILE 105 4.705 -3.175 1.324 307 HD11 ILE 105 1HD1 ILE 105 4.393 -6.434 -2.554 308 HD12 ILE 105 2HD1 ILE 105 3.519 -5.629 -1.246 309 HD13 ILE 105 3HD1 ILE 105 4.721 -6.872 -0.884 310 H ASP 106 H ASP 106 8.143 -4.380 1.863 311 HA ASP 106 HA ASP 106 7.160 -2.605 3.835 312 HB2 ASP 106 2HB ASP 106 7.925 -4.867 4.428 313 HB3 ASP 106 1HB ASP 106 9.571 -4.435 3.968 314 H ALA 107 H ALA 107 10.279 -2.931 2.214 315 HA ALA 107 HA ALA 107 11.607 -0.806 3.390 316 HB1 ALA 107 1HB ALA 107 12.674 -2.489 1.979 317 HB2 ALA 107 2HB ALA 107 13.049 -0.861 1.410 318 HB3 ALA 107 3HB ALA 107 11.837 -1.841 0.573 319 H TYR 108 H TYR 108 9.546 -0.879 0.513 320 HA TYR 108 HA TYR 108 9.679 1.747 -0.321 321 HB2 TYR 108 2HB TYR 108 8.531 0.045 -1.626 322 HB3 TYR 108 1HB TYR 108 7.357 -0.174 -0.338 323 HD1 TYR 108 1HD TYR 108 5.382 1.167 -0.258 324 HD2 TYR 108 2HD TYR 108 8.515 2.208 -2.926 325 HE1 TYR 108 1HE TYR 108 3.900 2.793 -1.353 326 HE2 TYR 108 2HE TYR 108 7.058 3.830 -4.028 327 HH TYR 108 HH TYR 108 3.992 4.753 -2.731 328 H HIS 109 H HIS 109 7.211 0.341 1.841 329 HA HIS 109 HA HIS 109 6.153 2.869 2.385 330 HB2 HIS 109 2HB HIS 109 5.653 0.216 3.676 331 HB3 HIS 109 1HB HIS 109 4.925 1.693 4.305 332 HD1 HIS 109 1HD HIS 109 3.359 3.037 2.564 333 HD2 HIS 109 2HD HIS 109 4.406 -0.845 1.504 334 HE1 HIS 109 1HE HIS 109 1.864 2.423 0.663 335 H ALA 110 H ALA 110 8.775 1.248 3.761 336 HA ALA 110 HA ALA 110 8.795 2.799 6.180 337 HB1 ALA 110 1HB ALA 110 10.954 1.737 6.588 338 HB2 ALA 110 2HB ALA 110 10.924 1.057 4.960 339 HB3 ALA 110 3HB ALA 110 9.726 0.550 6.146 340 H ALA 111 H ALA 111 10.057 3.150 2.918 341 HA ALA 111 HA ALA 111 11.981 5.201 3.778 342 HB1 ALA 111 1HB ALA 111 11.419 4.024 1.084 343 HB2 ALA 111 2HB ALA 111 12.689 3.448 2.171 344 HB3 ALA 111 3HB ALA 111 12.768 5.082 1.484 345 H THR 112 H THR 112 9.019 4.651 2.211 346 HA THR 112 HA THR 112 8.747 7.417 1.495 347 HB THR 112 HB THR 112 8.351 4.889 -0.095 348 HG1 THR 112 1HG THR 112 10.314 6.355 0.063 349 HG21 THR 112 1HG2 THR 112 6.398 6.193 -0.326 350 HG22 THR 112 2HG2 THR 112 7.363 6.199 -1.821 351 HG23 THR 112 3HG2 THR 112 7.353 7.636 -0.742 Start of MODEL 8 1 H MET 65 1HT MET 65 6.939 12.226 -19.653 2 HA MET 65 HA MET 65 4.990 10.819 -17.959 3 HB2 MET 65 2HB MET 65 6.991 9.456 -18.383 4 HB3 MET 65 1HB MET 65 8.018 10.803 -17.910 5 HG2 MET 65 2HG MET 65 7.086 10.697 -15.641 6 HG3 MET 65 1HG MET 65 6.083 9.335 -16.134 7 HE1 MET 65 1HE MET 65 8.047 9.311 -13.605 8 HE2 MET 65 2HE MET 65 8.756 7.703 -13.766 9 HE3 MET 65 3HE MET 65 7.033 7.941 -14.064 10 H SER 66 H SER 66 4.274 12.083 -16.353 11 HA SER 66 HA SER 66 5.571 14.605 -15.877 12 HB2 SER 66 2HB SER 66 3.061 14.371 -15.967 13 HB3 SER 66 1HB SER 66 3.139 13.415 -14.493 14 HG SER 66 HG SER 66 4.420 15.689 -13.942 15 H GLY 67 H GLY 67 7.529 13.855 -15.078 16 HA2 GLY 67 2HA GLY 67 7.593 12.263 -12.626 17 HA3 GLY 67 1HA GLY 67 8.988 12.772 -13.573 18 H SER 68 H SER 68 7.353 15.426 -13.520 19 HA SER 68 HA SER 68 8.144 16.339 -10.874 20 HB2 SER 68 2HB SER 68 8.439 17.851 -13.486 21 HB3 SER 68 1HB SER 68 8.950 18.394 -11.884 22 HG SER 68 HG SER 68 10.106 16.187 -12.054 23 H GLY 69 H GLY 69 6.784 18.181 -10.191 24 HA2 GLY 69 2HA GLY 69 4.963 19.668 -11.123 25 HA3 GLY 69 1HA GLY 69 4.199 18.146 -11.565 26 H ARG 70 H ARG 70 5.477 19.960 -8.844 27 HA ARG 70 HA ARG 70 4.256 18.475 -6.793 28 HB2 ARG 70 2HB ARG 70 4.929 21.426 -6.822 29 HB3 ARG 70 1HB ARG 70 4.507 20.506 -5.387 30 HG2 ARG 70 2HG ARG 70 6.918 20.027 -7.134 31 HG3 ARG 70 1HG ARG 70 6.923 20.854 -5.579 32 HD2 ARG 70 2HD ARG 70 6.091 17.975 -6.011 33 HD3 ARG 70 1HD ARG 70 7.666 18.490 -5.438 34 HE ARG 70 HE ARG 70 5.528 19.508 -3.827 35 HH11 ARG 70 1HH1 ARG 70 7.507 16.614 -4.385 36 HH12 ARG 70 2HH1 ARG 70 7.438 16.093 -2.774 37 HH21 ARG 70 1HH2 ARG 70 5.430 18.761 -1.633 38 HH22 ARG 70 2HH2 ARG 70 6.241 17.318 -1.192 39 H GLY 71 H GLY 71 2.277 18.021 -6.701 40 HA2 GLY 71 2HA GLY 71 0.068 19.318 -6.172 41 HA3 GLY 71 1HA GLY 71 0.254 19.739 -7.882 42 H ARG 72 H ARG 72 1.595 17.379 -8.600 43 HA ARG 72 HA ARG 72 -0.609 15.509 -8.612 44 HB2 ARG 72 2HB ARG 72 1.918 15.715 -10.234 45 HB3 ARG 72 1HB ARG 72 0.954 14.245 -10.239 46 HG2 ARG 72 2HG ARG 72 -0.970 15.543 -11.046 47 HG3 ARG 72 1HG ARG 72 0.043 16.987 -11.079 48 HD2 ARG 72 2HD ARG 72 1.443 16.063 -12.767 49 HD3 ARG 72 1HD ARG 72 0.695 14.473 -12.606 50 HE ARG 72 HE ARG 72 -1.399 15.873 -13.281 51 HH11 ARG 72 1HH1 ARG 72 1.854 16.103 -14.699 52 HH12 ARG 72 2HH1 ARG 72 1.271 16.513 -16.239 53 HH21 ARG 72 1HH2 ARG 72 -2.166 16.367 -15.449 54 HH22 ARG 72 2HH2 ARG 72 -1.034 16.663 -16.673 55 H GLY 73 H GLY 73 -0.630 14.476 -6.758 56 HA2 GLY 73 2HA GLY 73 1.667 12.796 -6.115 57 HA3 GLY 73 1HA GLY 73 1.060 13.874 -4.861 58 H ALA 74 H ALA 74 -0.915 12.366 -7.257 59 HA ALA 74 HA ALA 74 -2.268 10.797 -5.160 60 HB1 ALA 74 1HB ALA 74 -3.290 11.655 -7.870 61 HB2 ALA 74 2HB ALA 74 -3.678 12.456 -6.349 62 HB3 ALA 74 3HB ALA 74 -4.196 10.796 -6.628 63 H ILE 75 H ILE 75 -3.458 8.921 -6.467 64 HA ILE 75 HA ILE 75 -1.171 7.315 -7.183 65 HB ILE 75 HB ILE 75 -4.012 6.432 -6.782 66 HG12 ILE 75 2HG1 ILE 75 -1.843 6.624 -4.712 67 HG13 ILE 75 1HG1 ILE 75 -3.122 7.811 -4.908 68 HG21 ILE 75 1HG2 ILE 75 -1.346 5.031 -6.396 69 HG22 ILE 75 2HG2 ILE 75 -2.396 4.815 -7.790 70 HG23 ILE 75 3HG2 ILE 75 -2.935 4.291 -6.192 71 HD11 ILE 75 1HD1 ILE 75 -3.490 4.916 -4.181 72 HD12 ILE 75 2HD1 ILE 75 -4.773 6.121 -4.404 73 HD13 ILE 75 3HD1 ILE 75 -3.599 6.313 -3.100 74 H ASP 76 H ASP 76 -0.932 8.264 -9.037 75 HA ASP 76 HA ASP 76 -2.772 8.399 -11.234 76 HB2 ASP 76 2HB ASP 76 -0.864 9.892 -11.165 77 HB3 ASP 76 1HB ASP 76 0.247 8.529 -11.243 78 H ARG 77 H ARG 77 -0.617 5.988 -10.134 79 HA ARG 77 HA ARG 77 -1.380 4.237 -12.360 80 HB2 ARG 77 2HB ARG 77 1.302 4.381 -10.940 81 HB3 ARG 77 1HB ARG 77 0.881 3.197 -12.172 82 HG2 ARG 77 2HG ARG 77 0.649 4.913 -13.819 83 HG3 ARG 77 1HG ARG 77 0.905 6.171 -12.613 84 HD2 ARG 77 2HD ARG 77 3.188 5.290 -12.265 85 HD3 ARG 77 1HD ARG 77 2.897 4.118 -13.558 86 HE ARG 77 HE ARG 77 2.273 6.667 -14.486 87 HH11 ARG 77 1HH1 ARG 77 5.208 4.882 -13.496 88 HH12 ARG 77 2HH1 ARG 77 6.200 5.651 -14.603 89 HH21 ARG 77 1HH2 ARG 77 3.682 7.784 -15.956 90 HH22 ARG 77 2HH2 ARG 77 5.337 7.362 -16.041 91 H GLU 78 H GLU 78 -0.366 1.881 -11.304 92 HA GLU 78 HA GLU 78 -2.091 1.355 -9.062 93 HB2 GLU 78 2HB GLU 78 0.128 -0.277 -10.291 94 HB3 GLU 78 1HB GLU 78 -1.025 -0.864 -9.105 95 HG2 GLU 78 2HG GLU 78 -2.794 -0.753 -10.631 96 HG3 GLU 78 1HG GLU 78 -1.854 0.204 -11.773 97 H GLN 79 H GLN 79 -1.374 0.863 -6.929 98 HA GLN 79 HA GLN 79 0.890 2.309 -6.034 99 HB2 GLN 79 2HB GLN 79 -0.932 0.344 -4.681 100 HB3 GLN 79 1HB GLN 79 0.444 1.066 -3.861 101 HG2 GLN 79 2HG GLN 79 -1.778 2.646 -5.129 102 HG3 GLN 79 1HG GLN 79 -1.729 2.173 -3.436 103 HE21 GLN 79 1HE2 GLN 79 -1.680 4.254 -2.678 104 HE22 GLN 79 2HE2 GLN 79 -0.308 5.297 -2.864 105 H SER 80 H SER 80 0.168 -1.036 -6.692 106 HA SER 80 HA SER 80 2.543 -2.212 -5.846 107 HB2 SER 80 2HB SER 80 0.841 -2.985 -8.212 108 HB3 SER 80 1HB SER 80 1.840 -4.058 -7.222 109 HG SER 80 HG SER 80 0.492 -3.521 -5.447 110 H ALA 81 H ALA 81 1.639 -0.631 -8.873 111 HA ALA 81 HA ALA 81 4.031 -1.203 -10.280 112 HB1 ALA 81 1HB ALA 81 2.066 1.058 -10.698 113 HB2 ALA 81 2HB ALA 81 1.984 -0.530 -11.461 114 HB3 ALA 81 3HB ALA 81 3.317 0.562 -11.836 115 H ALA 82 H ALA 82 2.940 1.446 -8.251 116 HA ALA 82 HA ALA 82 5.172 3.100 -8.558 117 HB1 ALA 82 1HB ALA 82 3.370 2.825 -6.153 118 HB2 ALA 82 2HB ALA 82 3.059 3.850 -7.553 119 HB3 ALA 82 3HB ALA 82 4.432 4.188 -6.502 120 H ILE 83 H ILE 83 4.517 0.477 -6.258 121 HA ILE 83 HA ILE 83 6.893 0.621 -4.759 122 HB ILE 83 HB ILE 83 5.369 -1.911 -5.505 123 HG12 ILE 83 2HG1 ILE 83 5.066 -0.131 -3.069 124 HG13 ILE 83 1HG1 ILE 83 3.932 -0.223 -4.407 125 HG21 ILE 83 1HG2 ILE 83 6.359 -2.860 -3.459 126 HG22 ILE 83 2HG2 ILE 83 7.276 -1.371 -3.221 127 HG23 ILE 83 3HG2 ILE 83 7.594 -2.391 -4.627 128 HD11 ILE 83 1HD1 ILE 83 3.478 -2.564 -3.854 129 HD12 ILE 83 2HD1 ILE 83 3.135 -1.488 -2.499 130 HD13 ILE 83 3HD1 ILE 83 4.606 -2.454 -2.503 131 H ARG 84 H ARG 84 6.131 -1.037 -7.738 132 HA ARG 84 HA ARG 84 8.554 -2.405 -8.127 133 HB2 ARG 84 2HB ARG 84 6.362 -1.516 -9.944 134 HB3 ARG 84 1HB ARG 84 7.791 -2.310 -10.580 135 HG2 ARG 84 2HG ARG 84 7.329 -4.298 -9.397 136 HG3 ARG 84 1HG ARG 84 6.102 -3.499 -8.406 137 HD2 ARG 84 2HD ARG 84 5.194 -4.941 -10.226 138 HD3 ARG 84 1HD ARG 84 4.648 -3.266 -10.259 139 HE ARG 84 HE ARG 84 6.954 -3.772 -11.893 140 HH11 ARG 84 1HH1 ARG 84 3.407 -3.842 -11.836 141 HH12 ARG 84 2HH1 ARG 84 3.212 -3.609 -13.492 142 HH21 ARG 84 1HH2 ARG 84 6.709 -3.429 -14.196 143 HH22 ARG 84 2HH2 ARG 84 5.160 -3.396 -14.895 144 H GLU 85 H GLU 85 7.423 0.727 -9.305 145 HA GLU 85 HA GLU 85 9.765 1.256 -10.773 146 HB2 GLU 85 2HB GLU 85 7.603 3.066 -9.775 147 HB3 GLU 85 1HB GLU 85 8.855 3.592 -10.916 148 HG2 GLU 85 2HG GLU 85 8.013 1.641 -12.370 149 HG3 GLU 85 1HG GLU 85 6.624 1.614 -11.294 150 H TRP 86 H TRP 86 8.764 2.042 -7.473 151 HA TRP 86 HA TRP 86 10.896 3.745 -6.818 152 HB2 TRP 86 2HB TRP 86 8.916 3.609 -5.429 153 HB3 TRP 86 1HB TRP 86 9.148 1.886 -5.190 154 HD1 TRP 86 HD TRP 86 10.322 5.276 -3.907 155 HE1 TRP 86 1HE TRP 86 11.697 4.918 -1.766 156 HE3 TRP 86 3HE TRP 86 10.645 0.185 -4.011 157 HZ2 TRP 86 2HZ TRP 86 12.782 2.746 -0.313 158 HZ3 TRP 86 3HZ TRP 86 11.867 -0.960 -2.196 159 HH2 TRP 86 HH TRP 86 12.909 0.301 -0.395 160 H ALA 87 H ALA 87 10.372 0.290 -6.626 161 HA ALA 87 HA ALA 87 12.695 -0.564 -5.418 162 HB1 ALA 87 1HB ALA 87 12.213 -2.718 -6.493 163 HB2 ALA 87 2HB ALA 87 11.073 -1.906 -7.558 164 HB3 ALA 87 3HB ALA 87 10.760 -1.970 -5.827 165 H ARG 88 H ARG 88 11.986 -0.161 -8.856 166 HA ARG 88 HA ARG 88 14.624 -0.884 -9.605 167 HB2 ARG 88 2HB ARG 88 12.389 0.333 -11.207 168 HB3 ARG 88 1HB ARG 88 13.973 0.009 -11.900 169 HG2 ARG 88 2HG ARG 88 12.135 -2.046 -10.667 170 HG3 ARG 88 1HG ARG 88 12.412 -1.802 -12.396 171 HD2 ARG 88 2HD ARG 88 14.791 -2.337 -12.075 172 HD3 ARG 88 1HD ARG 88 14.504 -2.606 -10.360 173 HE ARG 88 HE ARG 88 12.814 -4.217 -11.890 174 HH11 ARG 88 1HH1 ARG 88 16.183 -3.904 -10.883 175 HH12 ARG 88 2HH1 ARG 88 16.568 -5.551 -11.060 176 HH21 ARG 88 1HH2 ARG 88 13.313 -6.526 -12.097 177 HH22 ARG 88 2HH2 ARG 88 14.883 -7.090 -11.793 178 H ARG 89 H ARG 89 13.215 2.167 -8.808 179 HA ARG 89 HA ARG 89 15.410 3.712 -9.739 180 HB2 ARG 89 2HB ARG 89 13.318 4.223 -7.673 181 HB3 ARG 89 1HB ARG 89 14.600 5.375 -8.017 182 HG2 ARG 89 2HG ARG 89 13.870 5.324 -10.410 183 HG3 ARG 89 1HG ARG 89 12.473 4.382 -9.879 184 HD2 ARG 89 2HD ARG 89 11.815 6.127 -8.385 185 HD3 ARG 89 1HD ARG 89 13.295 7.009 -8.798 186 HE ARG 89 HE ARG 89 12.048 6.644 -11.180 187 HH11 ARG 89 1HH1 ARG 89 11.056 8.209 -8.151 188 HH12 ARG 89 2HH1 ARG 89 10.079 9.361 -8.932 189 HH21 ARG 89 1HH2 ARG 89 10.732 8.266 -12.200 190 HH22 ARG 89 2HH2 ARG 89 9.905 9.423 -11.225 191 H ASN 90 H ASN 90 14.760 1.970 -6.805 192 HA ASN 90 HA ASN 90 17.180 2.964 -5.557 193 HB2 ASN 90 2HB ASN 90 14.945 1.232 -4.617 194 HB3 ASN 90 1HB ASN 90 16.446 1.304 -3.683 195 HD21 ASN 90 1HD2 ASN 90 13.633 3.021 -4.765 196 HD22 ASN 90 2HD2 ASN 90 13.787 4.363 -3.706 197 H GLY 91 H GLY 91 16.309 0.301 -7.449 198 HA2 GLY 91 2HA GLY 91 18.075 -0.904 -8.531 199 HA3 GLY 91 1HA GLY 91 19.046 -0.702 -7.083 200 H HIS 92 H HIS 92 15.831 -1.607 -6.437 201 HA HIS 92 HA HIS 92 16.685 -4.132 -5.408 202 HB2 HIS 92 2HB HIS 92 13.965 -2.879 -5.684 203 HB3 HIS 92 1HB HIS 92 14.220 -4.462 -4.967 204 HD1 HIS 92 1HD HIS 92 15.032 -4.482 -2.503 205 HD2 HIS 92 2HD HIS 92 14.830 -0.706 -4.208 206 HE1 HIS 92 1HE HIS 92 15.219 -2.853 -0.604 207 H ASN 93 H ASN 93 16.036 -6.139 -6.102 208 HA ASN 93 HA ASN 93 15.669 -6.282 -8.979 209 HB2 ASN 93 2HB ASN 93 16.272 -8.521 -7.027 210 HB3 ASN 93 1HB ASN 93 16.339 -8.612 -8.780 211 HD21 ASN 93 1HD2 ASN 93 17.930 -7.576 -5.913 212 HD22 ASN 93 2HD2 ASN 93 19.445 -7.186 -6.635 213 H VAL 94 H VAL 94 13.517 -5.762 -9.068 214 HA VAL 94 HA VAL 94 11.724 -7.734 -7.874 215 HB VAL 94 HB VAL 94 11.090 -4.917 -8.819 216 HG11 VAL 94 1HG1 VAL 94 9.251 -6.989 -7.589 217 HG12 VAL 94 2HG1 VAL 94 9.199 -6.437 -9.262 218 HG13 VAL 94 3HG1 VAL 94 8.825 -5.318 -7.952 219 HG21 VAL 94 1HG2 VAL 94 12.270 -5.010 -6.695 220 HG22 VAL 94 2HG2 VAL 94 11.080 -6.161 -6.080 221 HG23 VAL 94 3HG2 VAL 94 10.595 -4.509 -6.469 222 H SER 95 H SER 95 11.268 -9.262 -9.196 223 HA SER 95 HA SER 95 11.336 -8.934 -11.998 224 HB2 SER 95 2HB SER 95 11.914 -11.076 -10.969 225 HB3 SER 95 1HB SER 95 10.308 -11.191 -10.257 226 HG SER 95 HG SER 95 11.142 -11.821 -12.767 227 H THR 96 H THR 96 9.632 -8.624 -13.368 228 HA THR 96 HA THR 96 7.185 -7.661 -12.297 229 HB THR 96 HB THR 96 6.685 -7.637 -14.853 230 HG1 THR 96 1HG THR 96 8.635 -7.634 -16.045 231 HG21 THR 96 1HG2 THR 96 7.239 -5.642 -13.546 232 HG22 THR 96 2HG2 THR 96 8.024 -5.596 -15.128 233 HG23 THR 96 3HG2 THR 96 8.953 -6.024 -13.689 234 H ARG 97 H ARG 97 8.456 -10.654 -12.999 235 HA ARG 97 HA ARG 97 5.926 -11.876 -13.734 236 HB2 ARG 97 2HB ARG 97 8.669 -13.128 -13.489 237 HB3 ARG 97 1HB ARG 97 7.249 -13.843 -14.239 238 HG2 ARG 97 2HG ARG 97 7.304 -12.057 -15.952 239 HG3 ARG 97 1HG ARG 97 8.785 -11.460 -15.218 240 HD2 ARG 97 2HD ARG 97 9.863 -13.625 -15.648 241 HD3 ARG 97 1HD ARG 97 8.385 -14.188 -16.427 242 HE ARG 97 HE ARG 97 9.616 -11.766 -17.431 243 HH11 ARG 97 1HH1 ARG 97 8.990 -15.223 -17.922 244 HH12 ARG 97 2HH1 ARG 97 9.422 -15.213 -19.560 245 HH21 ARG 97 1HH2 ARG 97 10.241 -11.759 -19.697 246 HH22 ARG 97 2HH2 ARG 97 10.116 -13.207 -20.593 247 H GLY 98 H GLY 98 4.748 -12.685 -12.142 248 HA2 GLY 98 2HA GLY 98 4.485 -14.076 -10.222 249 HA3 GLY 98 1HA GLY 98 6.101 -13.581 -9.720 250 H ARG 99 H ARG 99 5.746 -12.650 -7.806 251 HA ARG 99 HA ARG 99 3.933 -10.347 -7.794 252 HB2 ARG 99 2HB ARG 99 4.310 -12.378 -5.582 253 HB3 ARG 99 1HB ARG 99 3.634 -10.792 -5.287 254 HG2 ARG 99 2HG ARG 99 1.802 -12.273 -5.475 255 HG3 ARG 99 1HG ARG 99 1.846 -11.359 -6.976 256 HD2 ARG 99 2HD ARG 99 3.076 -13.285 -7.999 257 HD3 ARG 99 1HD ARG 99 2.761 -14.178 -6.512 258 HE ARG 99 HE ARG 99 0.541 -13.031 -8.028 259 HH11 ARG 99 1HH1 ARG 99 2.187 -15.918 -6.826 260 HH12 ARG 99 2HH1 ARG 99 0.923 -16.974 -7.229 261 HH21 ARG 99 1HH2 ARG 99 -1.171 -14.433 -8.547 262 HH22 ARG 99 2HH2 ARG 99 -1.082 -16.098 -8.183 263 H ILE 100 H ILE 100 4.470 -8.814 -5.969 264 HA ILE 100 HA ILE 100 7.247 -8.094 -6.236 265 HB ILE 100 HB ILE 100 5.009 -6.734 -4.696 266 HG12 ILE 100 2HG1 ILE 100 6.055 -6.124 -7.467 267 HG13 ILE 100 1HG1 ILE 100 4.547 -6.962 -7.118 268 HG21 ILE 100 1HG2 ILE 100 7.213 -6.020 -3.935 269 HG22 ILE 100 2HG2 ILE 100 6.422 -4.718 -4.821 270 HG23 ILE 100 3HG2 ILE 100 7.692 -5.663 -5.595 271 HD11 ILE 100 1HD1 ILE 100 3.709 -4.964 -5.994 272 HD12 ILE 100 2HD1 ILE 100 4.166 -4.634 -7.664 273 HD13 ILE 100 3HD1 ILE 100 5.223 -4.136 -6.344 274 HA PRO 101 HA PRO 101 8.434 -10.150 -2.434 275 HB2 PRO 101 2HB PRO 101 10.618 -8.171 -2.299 276 HB3 PRO 101 1HB PRO 101 10.721 -9.938 -2.429 277 HG2 PRO 101 2HG PRO 101 11.367 -8.371 -4.471 278 HG3 PRO 101 1HG PRO 101 10.577 -9.946 -4.687 279 HD2 PRO 101 2HD PRO 101 9.396 -7.225 -4.885 280 HD3 PRO 101 1HD PRO 101 9.079 -8.687 -5.841 281 H ALA 102 H ALA 102 7.893 -9.845 -0.397 282 HA ALA 102 HA ALA 102 6.534 -7.566 0.522 283 HB1 ALA 102 1HB ALA 102 6.545 -8.670 2.698 284 HB2 ALA 102 2HB ALA 102 7.768 -9.806 2.125 285 HB3 ALA 102 3HB ALA 102 6.155 -9.815 1.414 286 H ASP 103 H ASP 103 9.863 -8.559 0.754 287 HA ASP 103 HA ASP 103 10.743 -6.712 2.677 288 HB2 ASP 103 2HB ASP 103 12.215 -7.986 0.367 289 HB3 ASP 103 1HB ASP 103 13.002 -6.907 1.504 290 H VAL 104 H VAL 104 10.193 -6.393 -0.764 291 HA VAL 104 HA VAL 104 11.402 -3.788 -0.882 292 HB VAL 104 HB VAL 104 9.692 -5.293 -2.899 293 HG11 VAL 104 1HG1 VAL 104 9.513 -2.845 -3.209 294 HG12 VAL 104 2HG1 VAL 104 10.379 -3.628 -4.527 295 HG13 VAL 104 3HG1 VAL 104 11.276 -2.746 -3.290 296 HG21 VAL 104 1HG2 VAL 104 11.787 -5.608 -4.087 297 HG22 VAL 104 2HG2 VAL 104 11.888 -6.288 -2.456 298 HG23 VAL 104 3HG2 VAL 104 12.640 -4.728 -2.822 299 H ILE 105 H ILE 105 8.203 -5.174 -0.700 300 HA ILE 105 HA ILE 105 6.686 -2.820 -0.932 301 HB ILE 105 HB ILE 105 6.067 -5.320 0.671 302 HG12 ILE 105 2HG1 ILE 105 5.271 -4.557 -2.153 303 HG13 ILE 105 1HG1 ILE 105 6.526 -5.713 -1.732 304 HG21 ILE 105 1HG2 ILE 105 4.201 -3.151 -0.308 305 HG22 ILE 105 2HG2 ILE 105 4.665 -3.448 1.362 306 HG23 ILE 105 3HG2 ILE 105 3.719 -4.659 0.486 307 HD11 ILE 105 1HD1 ILE 105 4.492 -6.812 -2.408 308 HD12 ILE 105 2HD1 ILE 105 3.585 -5.993 -1.134 309 HD13 ILE 105 3HD1 ILE 105 4.845 -7.161 -0.718 310 H ASP 106 H ASP 106 8.054 -4.420 1.914 311 HA ASP 106 HA ASP 106 7.021 -2.586 3.809 312 HB2 ASP 106 2HB ASP 106 7.743 -4.817 4.485 313 HB3 ASP 106 1HB ASP 106 9.393 -4.452 3.997 314 H ALA 107 H ALA 107 10.125 -2.904 2.185 315 HA ALA 107 HA ALA 107 11.412 -0.726 3.338 316 HB1 ALA 107 1HB ALA 107 11.717 -1.790 0.537 317 HB2 ALA 107 2HB ALA 107 12.504 -2.445 1.965 318 HB3 ALA 107 3HB ALA 107 12.906 -0.811 1.412 319 H TYR 108 H TYR 108 9.336 -0.930 0.485 320 HA TYR 108 HA TYR 108 9.453 1.702 -0.399 321 HB2 TYR 108 2HB TYR 108 8.423 -0.050 -1.712 322 HB3 TYR 108 1HB TYR 108 7.213 -0.306 -0.465 323 HD1 TYR 108 1HD TYR 108 5.183 0.944 -0.479 324 HD2 TYR 108 2HD TYR 108 8.372 2.086 -3.045 325 HE1 TYR 108 1HE TYR 108 3.674 2.487 -1.654 326 HE2 TYR 108 2HE TYR 108 6.888 3.629 -4.220 327 HH TYR 108 HH TYR 108 3.731 4.411 -3.051 328 H HIS 109 H HIS 109 7.052 0.205 1.769 329 HA HIS 109 HA HIS 109 5.764 2.652 2.233 330 HB2 HIS 109 2HB HIS 109 5.503 -0.006 3.600 331 HB3 HIS 109 1HB HIS 109 4.603 1.403 4.163 332 HD1 HIS 109 1HD HIS 109 2.775 2.368 2.479 333 HD2 HIS 109 2HD HIS 109 4.526 -1.221 1.333 334 HE1 HIS 109 1HE HIS 109 1.353 1.467 0.619 335 H ALA 110 H ALA 110 8.525 1.288 3.686 336 HA ALA 110 HA ALA 110 8.388 3.012 6.003 337 HB1 ALA 110 1HB ALA 110 10.578 2.119 6.556 338 HB2 ALA 110 2HB ALA 110 10.659 1.320 4.983 339 HB3 ALA 110 3HB ALA 110 9.458 0.814 6.166 340 H ALA 111 H ALA 111 10.133 2.907 2.931 341 HA ALA 111 HA ALA 111 11.816 5.124 3.589 342 HB1 ALA 111 1HB ALA 111 11.360 3.799 0.945 343 HB2 ALA 111 2HB ALA 111 12.563 3.312 2.138 344 HB3 ALA 111 3HB ALA 111 12.686 4.888 1.349 345 H THR 112 H THR 112 8.975 4.758 1.461 346 HA THR 112 HA THR 112 9.263 7.575 0.917 347 HB THR 112 HB THR 112 8.926 6.030 -1.030 348 HG1 THR 112 1HG THR 112 8.033 8.366 -0.767 349 HG21 THR 112 1HG2 THR 112 6.657 5.180 -1.527 350 HG22 THR 112 2HG2 THR 112 6.115 5.729 0.061 351 HG23 THR 112 3HG2 THR 112 7.321 4.453 -0.065 Start of MODEL 9 1 H MET 65 1HT MET 65 16.354 24.750 -9.625 2 HA MET 65 HA MET 65 14.318 23.487 -9.969 3 HB2 MET 65 2HB MET 65 16.126 23.625 -12.404 4 HB3 MET 65 1HB MET 65 14.384 23.439 -12.456 5 HG2 MET 65 2HG MET 65 14.897 25.705 -12.952 6 HG3 MET 65 1HG MET 65 14.184 25.660 -11.345 7 HE1 MET 65 1HE MET 65 16.743 28.634 -11.124 8 HE2 MET 65 2HE MET 65 15.054 28.151 -10.953 9 HE3 MET 65 3HE MET 65 15.810 28.168 -12.545 10 H SER 66 H SER 66 13.468 21.482 -9.973 11 HA SER 66 HA SER 66 14.915 19.319 -11.182 12 HB2 SER 66 2HB SER 66 14.322 19.336 -8.213 13 HB3 SER 66 1HB SER 66 14.828 17.909 -9.121 14 HG SER 66 HG SER 66 16.508 19.775 -9.768 15 H GLY 67 H GLY 67 13.436 18.530 -12.450 16 HA2 GLY 67 2HA GLY 67 10.695 18.311 -11.465 17 HA3 GLY 67 1HA GLY 67 11.185 18.303 -13.161 18 H SER 68 H SER 68 10.122 16.392 -10.778 19 HA SER 68 HA SER 68 11.058 14.053 -12.163 20 HB2 SER 68 2HB SER 68 11.605 12.967 -9.942 21 HB3 SER 68 1HB SER 68 12.737 14.215 -10.460 22 HG SER 68 HG SER 68 12.345 14.778 -8.433 23 H GLY 69 H GLY 69 9.550 14.588 -9.071 24 HA2 GLY 69 2HA GLY 69 6.900 14.216 -10.019 25 HA3 GLY 69 1HA GLY 69 7.568 12.741 -9.313 26 H ARG 70 H ARG 70 5.903 15.514 -8.679 27 HA ARG 70 HA ARG 70 6.622 15.458 -5.830 28 HB2 ARG 70 2HB ARG 70 4.863 17.429 -7.319 29 HB3 ARG 70 1HB ARG 70 5.417 17.582 -5.667 30 HG2 ARG 70 2HG ARG 70 7.186 17.689 -8.116 31 HG3 ARG 70 1HG ARG 70 6.592 19.088 -7.240 32 HD2 ARG 70 2HD ARG 70 8.861 18.710 -6.566 33 HD3 ARG 70 1HD ARG 70 7.832 18.231 -5.225 34 HE ARG 70 HE ARG 70 8.219 15.878 -6.390 35 HH11 ARG 70 1HH1 ARG 70 10.657 18.402 -5.789 36 HH12 ARG 70 2HH1 ARG 70 11.901 17.268 -5.546 37 HH21 ARG 70 1HH2 ARG 70 9.963 14.375 -6.050 38 HH22 ARG 70 2HH2 ARG 70 11.512 14.996 -5.686 39 H GLY 71 H GLY 71 4.982 15.003 -4.317 40 HA2 GLY 71 2HA GLY 71 2.388 14.196 -5.390 41 HA3 GLY 71 1HA GLY 71 3.393 12.956 -4.655 42 H ARG 72 H ARG 72 3.950 13.109 -2.461 43 HA ARG 72 HA ARG 72 3.530 13.305 -0.335 44 HB2 ARG 72 2HB ARG 72 2.452 15.995 -1.120 45 HB3 ARG 72 1HB ARG 72 2.317 15.420 0.535 46 HG2 ARG 72 2HG ARG 72 4.891 15.733 -0.998 47 HG3 ARG 72 1HG ARG 72 4.275 16.859 0.218 48 HD2 ARG 72 2HD ARG 72 4.298 15.037 1.876 49 HD3 ARG 72 1HD ARG 72 4.979 13.958 0.674 50 HE ARG 72 HE ARG 72 6.500 16.320 1.081 51 HH11 ARG 72 1HH1 ARG 72 5.911 12.969 2.085 52 HH12 ARG 72 2HH1 ARG 72 7.347 12.776 2.956 53 HH21 ARG 72 1HH2 ARG 72 8.544 16.097 2.277 54 HH22 ARG 72 2HH2 ARG 72 8.919 14.626 3.048 55 H GLY 73 H GLY 73 2.419 11.999 0.666 56 HA2 GLY 73 2HA GLY 73 0.597 11.144 1.759 57 HA3 GLY 73 1HA GLY 73 -0.414 12.336 0.967 58 H ALA 74 H ALA 74 -0.114 11.766 -1.636 59 HA ALA 74 HA ALA 74 -1.339 9.086 -1.794 60 HB1 ALA 74 1HB ALA 74 -2.476 9.869 -3.785 61 HB2 ALA 74 2HB ALA 74 -1.627 11.410 -3.699 62 HB3 ALA 74 3HB ALA 74 -2.785 10.969 -2.443 63 H ILE 75 H ILE 75 -1.147 8.080 -3.941 64 HA ILE 75 HA ILE 75 1.683 7.904 -4.558 65 HB ILE 75 HB ILE 75 -0.592 5.998 -5.177 66 HG12 ILE 75 2HG1 ILE 75 1.519 5.801 -3.027 67 HG13 ILE 75 1HG1 ILE 75 -0.128 6.353 -2.755 68 HG21 ILE 75 1HG2 ILE 75 2.403 5.605 -5.318 69 HG22 ILE 75 2HG2 ILE 75 1.320 5.771 -6.700 70 HG23 ILE 75 3HG2 ILE 75 1.182 4.372 -5.638 71 HD11 ILE 75 1HD1 ILE 75 0.680 3.623 -3.731 72 HD12 ILE 75 2HD1 ILE 75 -0.969 4.195 -3.417 73 HD13 ILE 75 3HD1 ILE 75 0.179 4.055 -2.090 74 H ASP 76 H ASP 76 2.368 8.107 -6.620 75 HA ASP 76 HA ASP 76 1.016 9.923 -8.278 76 HB2 ASP 76 2HB ASP 76 3.478 9.708 -8.138 77 HB3 ASP 76 1HB ASP 76 3.368 8.168 -8.980 78 H ARG 77 H ARG 77 1.573 6.469 -8.606 79 HA ARG 77 HA ARG 77 -0.499 6.356 -10.696 80 HB2 ARG 77 2HB ARG 77 2.167 4.895 -10.762 81 HB3 ARG 77 1HB ARG 77 0.872 4.686 -11.931 82 HG2 ARG 77 2HG ARG 77 2.423 7.218 -11.467 83 HG3 ARG 77 1HG ARG 77 2.644 6.089 -12.805 84 HD2 ARG 77 2HD ARG 77 0.439 6.563 -13.637 85 HD3 ARG 77 1HD ARG 77 0.063 7.548 -12.220 86 HE ARG 77 HE ARG 77 2.233 8.727 -13.216 87 HH11 ARG 77 1HH1 ARG 77 -0.890 7.864 -14.663 88 HH12 ARG 77 2HH1 ARG 77 -0.859 9.102 -15.827 89 HH21 ARG 77 1HH2 ARG 77 2.257 10.455 -14.802 90 HH22 ARG 77 2HH2 ARG 77 0.972 10.609 -15.908 91 H GLU 78 H GLU 78 -0.183 3.531 -11.042 92 HA GLU 78 HA GLU 78 -1.860 2.433 -9.154 93 HB2 GLU 78 2HB GLU 78 0.254 0.989 -10.744 94 HB3 GLU 78 1HB GLU 78 -1.220 0.308 -10.086 95 HG2 GLU 78 2HG GLU 78 -2.548 1.628 -11.600 96 HG3 GLU 78 1HG GLU 78 -1.096 2.403 -12.226 97 H GLN 79 H GLN 79 -1.489 1.142 -7.357 98 HA GLN 79 HA GLN 79 0.537 1.796 -5.574 99 HB2 GLN 79 2HB GLN 79 -1.099 -0.742 -5.644 100 HB3 GLN 79 1HB GLN 79 -0.220 -0.127 -4.254 101 HG2 GLN 79 2HG GLN 79 -1.671 1.808 -4.159 102 HG3 GLN 79 1HG GLN 79 -2.514 1.267 -5.612 103 HE21 GLN 79 1HE2 GLN 79 -2.008 0.701 -2.235 104 HE22 GLN 79 2HE2 GLN 79 -3.320 -0.383 -2.007 105 H SER 80 H SER 80 0.153 -1.319 -7.289 106 HA SER 80 HA SER 80 2.564 -2.431 -6.482 107 HB2 SER 80 2HB SER 80 0.982 -3.004 -8.983 108 HB3 SER 80 1HB SER 80 2.086 -4.107 -8.151 109 HG SER 80 HG SER 80 0.701 -4.264 -6.478 110 H ALA 81 H ALA 81 1.743 -0.442 -9.270 111 HA ALA 81 HA ALA 81 4.159 -0.862 -10.691 112 HB1 ALA 81 1HB ALA 81 3.498 1.034 -12.043 113 HB2 ALA 81 2HB ALA 81 2.289 1.489 -10.850 114 HB3 ALA 81 3HB ALA 81 2.109 -0.017 -11.757 115 H ALA 82 H ALA 82 3.076 1.558 -8.380 116 HA ALA 82 HA ALA 82 5.356 3.199 -8.570 117 HB1 ALA 82 1HB ALA 82 3.212 3.962 -7.661 118 HB2 ALA 82 2HB ALA 82 4.550 4.244 -6.551 119 HB3 ALA 82 3HB ALA 82 3.440 2.899 -6.272 120 H ILE 83 H ILE 83 4.529 0.477 -6.472 121 HA ILE 83 HA ILE 83 6.834 0.645 -4.835 122 HB ILE 83 HB ILE 83 5.280 -1.868 -5.572 123 HG12 ILE 83 2HG1 ILE 83 4.943 -0.016 -3.195 124 HG13 ILE 83 1HG1 ILE 83 3.861 -0.095 -4.577 125 HG21 ILE 83 1HG2 ILE 83 6.178 -2.781 -3.467 126 HG22 ILE 83 2HG2 ILE 83 7.113 -1.308 -3.226 127 HG23 ILE 83 3HG2 ILE 83 7.471 -2.367 -4.593 128 HD11 ILE 83 1HD1 ILE 83 2.948 -1.287 -2.668 129 HD12 ILE 83 2HD1 ILE 83 4.381 -2.314 -2.608 130 HD13 ILE 83 3HD1 ILE 83 3.292 -2.401 -3.991 131 H ARG 84 H ARG 84 6.160 -1.029 -7.837 132 HA ARG 84 HA ARG 84 8.568 -2.449 -8.140 133 HB2 ARG 84 2HB ARG 84 6.442 -1.498 -9.977 134 HB3 ARG 84 1HB ARG 84 7.917 -2.159 -10.641 135 HG2 ARG 84 2HG ARG 84 7.525 -4.266 -9.626 136 HG3 ARG 84 1HG ARG 84 6.195 -3.616 -8.661 137 HD2 ARG 84 2HD ARG 84 5.529 -4.928 -10.701 138 HD3 ARG 84 1HD ARG 84 4.836 -3.313 -10.553 139 HE ARG 84 HE ARG 84 7.281 -3.547 -12.101 140 HH11 ARG 84 1HH1 ARG 84 3.743 -3.397 -12.223 141 HH12 ARG 84 2HH1 ARG 84 3.671 -2.733 -13.784 142 HH21 ARG 84 1HH2 ARG 84 7.174 -2.625 -14.273 143 HH22 ARG 84 2HH2 ARG 84 5.661 -2.238 -14.950 144 H GLU 85 H GLU 85 7.542 0.683 -9.386 145 HA GLU 85 HA GLU 85 10.024 1.112 -10.631 146 HB2 GLU 85 2HB GLU 85 7.719 2.915 -10.093 147 HB3 GLU 85 1HB GLU 85 9.130 3.426 -11.039 148 HG2 GLU 85 2HG GLU 85 7.140 1.239 -11.665 149 HG3 GLU 85 1HG GLU 85 7.400 2.736 -12.560 150 H TRP 86 H TRP 86 8.804 1.907 -7.431 151 HA TRP 86 HA TRP 86 10.866 3.693 -6.743 152 HB2 TRP 86 2HB TRP 86 8.899 3.482 -5.326 153 HB3 TRP 86 1HB TRP 86 9.197 1.763 -5.101 154 HD1 TRP 86 HD TRP 86 10.355 5.193 -3.855 155 HE1 TRP 86 1HE TRP 86 11.791 4.854 -1.750 156 HE3 TRP 86 3HE TRP 86 10.665 0.124 -3.939 157 HZ2 TRP 86 2HZ TRP 86 12.913 2.688 -0.307 158 HZ3 TRP 86 3HZ TRP 86 11.948 -1.030 -2.155 159 HH2 TRP 86 HH TRP 86 13.038 0.239 -0.387 160 H ALA 87 H ALA 87 10.488 0.208 -6.665 161 HA ALA 87 HA ALA 87 12.921 -0.519 -5.539 162 HB1 ALA 87 1HB ALA 87 11.083 -2.104 -5.870 163 HB2 ALA 87 2HB ALA 87 12.525 -2.715 -6.681 164 HB3 ALA 87 3HB ALA 87 11.246 -1.961 -7.607 165 H ARG 88 H ARG 88 12.010 0.076 -8.889 166 HA ARG 88 HA ARG 88 14.490 -0.493 -10.078 167 HB2 ARG 88 2HB ARG 88 12.424 1.523 -10.956 168 HB3 ARG 88 1HB ARG 88 13.710 0.896 -11.971 169 HG2 ARG 88 2HG ARG 88 11.590 -0.855 -10.764 170 HG3 ARG 88 1HG ARG 88 11.372 -0.027 -12.296 171 HD2 ARG 88 2HD ARG 88 12.047 -2.262 -12.742 172 HD3 ARG 88 1HD ARG 88 13.390 -1.207 -13.151 173 HE ARG 88 HE ARG 88 14.039 -2.029 -10.667 174 HH11 ARG 88 1HH1 ARG 88 12.957 -3.779 -13.521 175 HH12 ARG 88 2HH1 ARG 88 13.808 -5.211 -13.151 176 HH21 ARG 88 1HH2 ARG 88 15.265 -3.989 -10.162 177 HH22 ARG 88 2HH2 ARG 88 15.217 -5.290 -11.267 178 H ARG 89 H ARG 89 13.143 2.555 -8.874 179 HA ARG 89 HA ARG 89 15.239 4.327 -9.492 180 HB2 ARG 89 2HB ARG 89 13.295 4.357 -7.174 181 HB3 ARG 89 1HB ARG 89 14.367 5.683 -7.561 182 HG2 ARG 89 2HG ARG 89 12.333 4.645 -9.519 183 HG3 ARG 89 1HG ARG 89 11.935 5.852 -8.303 184 HD2 ARG 89 2HD ARG 89 12.438 6.951 -10.390 185 HD3 ARG 89 1HD ARG 89 13.684 7.315 -9.208 186 HE ARG 89 HE ARG 89 14.066 5.217 -11.200 187 HH11 ARG 89 1HH1 ARG 89 15.138 8.259 -9.700 188 HH12 ARG 89 2HH1 ARG 89 16.468 8.483 -10.728 189 HH21 ARG 89 1HH2 ARG 89 15.969 5.524 -12.626 190 HH22 ARG 89 2HH2 ARG 89 16.965 6.897 -12.394 191 H ASN 90 H ASN 90 14.762 2.147 -6.825 192 HA ASN 90 HA ASN 90 17.141 3.150 -5.504 193 HB2 ASN 90 2HB ASN 90 14.889 1.444 -4.663 194 HB3 ASN 90 1HB ASN 90 16.366 1.470 -3.681 195 HD21 ASN 90 1HD2 ASN 90 13.582 3.191 -4.770 196 HD22 ASN 90 2HD2 ASN 90 13.731 4.524 -3.684 197 H GLY 91 H GLY 91 16.434 0.620 -7.620 198 HA2 GLY 91 2HA GLY 91 18.124 -0.702 -8.572 199 HA3 GLY 91 1HA GLY 91 19.161 -0.321 -7.208 200 H HIS 92 H HIS 92 15.901 -1.518 -6.968 201 HA HIS 92 HA HIS 92 16.878 -3.922 -5.625 202 HB2 HIS 92 2HB HIS 92 14.235 -2.535 -5.752 203 HB3 HIS 92 1HB HIS 92 14.398 -4.133 -5.027 204 HD1 HIS 92 1HD HIS 92 16.034 -4.141 -2.834 205 HD2 HIS 92 2HD HIS 92 14.709 -0.462 -4.173 206 HE1 HIS 92 1HE HIS 92 16.405 -2.524 -0.916 207 H ASN 93 H ASN 93 15.726 -5.937 -6.154 208 HA ASN 93 HA ASN 93 15.035 -5.958 -8.994 209 HB2 ASN 93 2HB ASN 93 16.533 -8.042 -7.415 210 HB3 ASN 93 1HB ASN 93 15.811 -8.366 -8.989 211 HD21 ASN 93 1HD2 ASN 93 18.628 -8.392 -8.202 212 HD22 ASN 93 2HD2 ASN 93 19.401 -7.254 -9.238 213 H VAL 94 H VAL 94 13.012 -6.118 -9.236 214 HA VAL 94 HA VAL 94 11.472 -7.931 -7.530 215 HB VAL 94 HB VAL 94 10.624 -5.365 -8.934 216 HG11 VAL 94 1HG1 VAL 94 8.794 -6.977 -8.966 217 HG12 VAL 94 2HG1 VAL 94 8.478 -5.642 -7.847 218 HG13 VAL 94 3HG1 VAL 94 8.980 -7.212 -7.220 219 HG21 VAL 94 1HG2 VAL 94 11.914 -4.956 -6.924 220 HG22 VAL 94 2HG2 VAL 94 10.841 -6.016 -6.009 221 HG23 VAL 94 3HG2 VAL 94 10.223 -4.510 -6.688 222 H SER 95 H SER 95 10.492 -9.568 -8.631 223 HA SER 95 HA SER 95 10.970 -9.828 -11.400 224 HB2 SER 95 2HB SER 95 10.929 -11.830 -10.033 225 HB3 SER 95 1HB SER 95 9.282 -11.471 -9.506 226 HG SER 95 HG SER 95 9.863 -12.996 -11.400 227 H THR 96 H THR 96 9.635 -9.404 -13.057 228 HA THR 96 HA THR 96 7.101 -8.175 -12.460 229 HB THR 96 HB THR 96 7.083 -7.981 -15.028 230 HG1 THR 96 1HG THR 96 8.667 -8.966 -15.959 231 HG21 THR 96 1HG2 THR 96 8.580 -6.019 -14.942 232 HG22 THR 96 2HG2 THR 96 9.215 -6.592 -13.397 233 HG23 THR 96 3HG2 THR 96 7.525 -6.098 -13.527 234 H ARG 97 H ARG 97 8.242 -11.220 -12.853 235 HA ARG 97 HA ARG 97 5.974 -12.266 -14.316 236 HB2 ARG 97 2HB ARG 97 8.348 -13.635 -13.039 237 HB3 ARG 97 1HB ARG 97 7.003 -14.531 -13.704 238 HG2 ARG 97 2HG ARG 97 8.749 -14.566 -15.299 239 HG3 ARG 97 1HG ARG 97 7.508 -13.489 -15.920 240 HD2 ARG 97 2HD ARG 97 8.836 -11.560 -15.210 241 HD3 ARG 97 1HD ARG 97 10.063 -12.642 -14.548 242 HE ARG 97 HE ARG 97 9.742 -13.454 -17.114 243 HH11 ARG 97 1HH1 ARG 97 10.809 -10.423 -15.582 244 HH12 ARG 97 2HH1 ARG 97 11.695 -9.908 -16.935 245 HH21 ARG 97 1HH2 ARG 97 10.954 -12.735 -18.935 246 HH22 ARG 97 2HH2 ARG 97 11.793 -11.249 -18.880 247 H GLY 98 H GLY 98 7.417 -12.571 -11.101 248 HA2 GLY 98 2HA GLY 98 5.012 -13.831 -10.090 249 HA3 GLY 98 1HA GLY 98 6.512 -13.569 -9.213 250 H ARG 99 H ARG 99 5.646 -12.644 -7.450 251 HA ARG 99 HA ARG 99 3.991 -10.255 -7.819 252 HB2 ARG 99 2HB ARG 99 3.389 -10.474 -5.486 253 HB3 ARG 99 1HB ARG 99 3.111 -11.997 -6.303 254 HG2 ARG 99 2HG ARG 99 5.212 -12.871 -5.335 255 HG3 ARG 99 1HG ARG 99 5.424 -11.341 -4.484 256 HD2 ARG 99 2HD ARG 99 3.226 -11.692 -3.402 257 HD3 ARG 99 1HD ARG 99 3.133 -13.257 -4.201 258 HE ARG 99 HE ARG 99 5.492 -13.275 -2.822 259 HH11 ARG 99 1HH1 ARG 99 2.067 -12.958 -2.020 260 HH12 ARG 99 2HH1 ARG 99 2.248 -13.537 -0.418 261 HH21 ARG 99 1HH2 ARG 99 5.730 -14.098 -0.669 262 HH22 ARG 99 2HH2 ARG 99 4.376 -14.201 0.373 263 H ILE 100 H ILE 100 4.469 -8.686 -5.806 264 HA ILE 100 HA ILE 100 7.247 -7.990 -6.125 265 HB ILE 100 HB ILE 100 5.016 -6.510 -4.680 266 HG12 ILE 100 2HG1 ILE 100 6.178 -6.071 -7.436 267 HG13 ILE 100 1HG1 ILE 100 4.604 -6.783 -7.098 268 HG21 ILE 100 1HG2 ILE 100 7.256 -5.890 -3.889 269 HG22 ILE 100 2HG2 ILE 100 6.531 -4.575 -4.823 270 HG23 ILE 100 3HG2 ILE 100 7.766 -5.593 -5.555 271 HD11 ILE 100 1HD1 ILE 100 5.466 -3.989 -6.435 272 HD12 ILE 100 2HD1 ILE 100 3.873 -4.683 -6.110 273 HD13 ILE 100 3HD1 ILE 100 4.426 -4.466 -7.777 274 HA PRO 101 HA PRO 101 8.173 -10.194 -2.349 275 HB2 PRO 101 2HB PRO 101 10.510 -8.373 -2.216 276 HB3 PRO 101 1HB PRO 101 10.485 -10.149 -2.263 277 HG2 PRO 101 2HG PRO 101 11.282 -8.752 -4.362 278 HG3 PRO 101 1HG PRO 101 10.341 -10.246 -4.539 279 HD2 PRO 101 2HD PRO 101 9.431 -7.421 -4.840 280 HD3 PRO 101 1HD PRO 101 8.969 -8.874 -5.748 281 H ALA 102 H ALA 102 7.575 -9.828 -0.352 282 HA ALA 102 HA ALA 102 6.413 -7.456 0.516 283 HB1 ALA 102 1HB ALA 102 5.891 -9.649 1.471 284 HB2 ALA 102 2HB ALA 102 6.318 -8.485 2.722 285 HB3 ALA 102 3HB ALA 102 7.490 -9.700 2.210 286 H ASP 103 H ASP 103 9.687 -8.590 0.771 287 HA ASP 103 HA ASP 103 10.675 -6.780 2.675 288 HB2 ASP 103 2HB ASP 103 12.111 -7.929 0.277 289 HB3 ASP 103 1HB ASP 103 12.883 -7.134 1.637 290 H VAL 104 H VAL 104 10.159 -6.460 -0.792 291 HA VAL 104 HA VAL 104 11.421 -3.883 -0.897 292 HB VAL 104 HB VAL 104 9.735 -5.367 -2.952 293 HG11 VAL 104 1HG1 VAL 104 9.533 -2.923 -3.271 294 HG12 VAL 104 2HG1 VAL 104 10.452 -3.685 -4.570 295 HG13 VAL 104 3HG1 VAL 104 11.294 -2.798 -3.301 296 HG21 VAL 104 1HG2 VAL 104 11.855 -5.658 -4.114 297 HG22 VAL 104 2HG2 VAL 104 11.937 -6.341 -2.483 298 HG23 VAL 104 3HG2 VAL 104 12.678 -4.772 -2.835 299 H ILE 105 H ILE 105 8.185 -5.166 -0.763 300 HA ILE 105 HA ILE 105 6.761 -2.742 -0.980 301 HB ILE 105 HB ILE 105 6.013 -5.240 0.579 302 HG12 ILE 105 2HG1 ILE 105 5.299 -4.408 -2.241 303 HG13 ILE 105 1HG1 ILE 105 6.484 -5.631 -1.808 304 HG21 ILE 105 1HG2 ILE 105 4.262 -2.974 -0.402 305 HG22 ILE 105 2HG2 ILE 105 4.679 -3.325 1.273 306 HG23 ILE 105 3HG2 ILE 105 3.697 -4.471 0.351 307 HD11 ILE 105 1HD1 ILE 105 3.527 -5.762 -1.248 308 HD12 ILE 105 2HD1 ILE 105 4.723 -6.996 -0.838 309 HD13 ILE 105 3HD1 ILE 105 4.396 -6.616 -2.524 310 H ASP 106 H ASP 106 8.084 -4.444 1.799 311 HA ASP 106 HA ASP 106 7.122 -2.702 3.795 312 HB2 ASP 106 2HB ASP 106 7.849 -4.957 4.336 313 HB3 ASP 106 1HB ASP 106 9.480 -4.591 3.779 314 H ALA 107 H ALA 107 10.188 -2.973 2.103 315 HA ALA 107 HA ALA 107 11.503 -0.836 3.313 316 HB1 ALA 107 1HB ALA 107 11.815 -1.884 0.509 317 HB2 ALA 107 2HB ALA 107 12.576 -2.560 1.939 318 HB3 ALA 107 3HB ALA 107 13.015 -0.933 1.401 319 H TYR 108 H TYR 108 9.415 -0.989 0.495 320 HA TYR 108 HA TYR 108 9.551 1.624 -0.416 321 HB2 TYR 108 2HB TYR 108 8.436 -0.099 -1.695 322 HB3 TYR 108 1HB TYR 108 7.260 -0.351 -0.416 323 HD1 TYR 108 1HD TYR 108 8.377 2.040 -3.004 324 HD2 TYR 108 2HD TYR 108 5.259 0.928 -0.341 325 HE1 TYR 108 1HE TYR 108 6.904 3.602 -4.112 326 HE2 TYR 108 2HE TYR 108 3.741 2.515 -1.449 327 HH TYR 108 HH TYR 108 3.821 4.463 -2.801 328 H HIS 109 H HIS 109 7.156 0.206 1.798 329 HA HIS 109 HA HIS 109 5.981 2.687 2.372 330 HB2 HIS 109 2HB HIS 109 5.771 0.042 3.794 331 HB3 HIS 109 1HB HIS 109 4.921 1.476 4.357 332 HD1 HIS 109 1HD HIS 109 2.926 2.338 2.851 333 HD2 HIS 109 2HD HIS 109 4.708 -1.183 1.555 334 HE1 HIS 109 1HE HIS 109 1.379 1.379 1.128 335 H ALA 110 H ALA 110 8.728 1.119 3.704 336 HA ALA 110 HA ALA 110 8.840 2.735 6.075 337 HB1 ALA 110 1HB ALA 110 11.010 1.085 4.778 338 HB2 ALA 110 2HB ALA 110 9.888 0.511 6.011 339 HB3 ALA 110 3HB ALA 110 11.059 1.771 6.402 340 H ALA 111 H ALA 111 10.045 2.980 2.804 341 HA ALA 111 HA ALA 111 11.810 5.175 3.465 342 HB1 ALA 111 1HB ALA 111 12.397 5.192 1.122 343 HB2 ALA 111 2HB ALA 111 11.092 4.052 0.769 344 HB3 ALA 111 3HB ALA 111 12.459 3.549 1.762 345 H THR 112 H THR 112 8.839 4.803 1.521 346 HA THR 112 HA THR 112 8.731 7.695 1.467 347 HB THR 112 HB THR 112 8.550 6.644 -0.744 348 HG1 THR 112 1HG THR 112 5.939 7.604 -0.194 349 HG21 THR 112 1HG2 THR 112 7.563 4.495 -0.178 350 HG22 THR 112 2HG2 THR 112 6.588 5.289 -1.413 351 HG23 THR 112 3HG2 THR 112 6.046 5.276 0.262 Start of MODEL 10 1 H MET 65 1HT MET 65 4.433 24.636 -19.935 2 HA MET 65 HA MET 65 4.904 22.579 -18.883 3 HB2 MET 65 2HB MET 65 6.955 22.331 -21.080 4 HB3 MET 65 1HB MET 65 7.072 21.429 -19.584 5 HG2 MET 65 2HG MET 65 4.873 20.407 -20.081 6 HG3 MET 65 1HG MET 65 4.866 21.259 -21.621 7 HE1 MET 65 1HE MET 65 5.559 17.485 -22.548 8 HE2 MET 65 2HE MET 65 4.465 18.853 -22.760 9 HE3 MET 65 3HE MET 65 4.589 18.059 -21.190 10 H SER 66 H SER 66 5.629 23.298 -17.062 11 HA SER 66 HA SER 66 8.220 24.510 -16.860 12 HB2 SER 66 2HB SER 66 5.691 25.873 -15.877 13 HB3 SER 66 1HB SER 66 7.335 26.449 -15.614 14 HG SER 66 HG SER 66 7.091 26.100 -18.190 15 H GLY 67 H GLY 67 9.009 24.141 -14.767 16 HA2 GLY 67 2HA GLY 67 7.566 22.106 -13.290 17 HA3 GLY 67 1HA GLY 67 9.214 22.648 -12.986 18 H SER 68 H SER 68 5.830 23.585 -12.676 19 HA SER 68 HA SER 68 6.165 25.822 -11.054 20 HB2 SER 68 2HB SER 68 3.766 25.179 -10.358 21 HB3 SER 68 1HB SER 68 4.057 25.495 -12.069 22 HG SER 68 HG SER 68 3.143 23.584 -12.252 23 H GLY 69 H GLY 69 5.258 22.547 -10.160 24 HA2 GLY 69 2HA GLY 69 7.021 22.477 -7.921 25 HA3 GLY 69 1HA GLY 69 5.305 22.532 -7.482 26 H ARG 70 H ARG 70 7.511 20.380 -7.477 27 HA ARG 70 HA ARG 70 6.354 18.415 -9.262 28 HB2 ARG 70 2HB ARG 70 8.502 18.092 -7.179 29 HB3 ARG 70 1HB ARG 70 8.005 16.881 -8.344 30 HG2 ARG 70 2HG ARG 70 8.633 18.555 -10.136 31 HG3 ARG 70 1HG ARG 70 9.433 19.458 -8.841 32 HD2 ARG 70 2HD ARG 70 10.659 17.400 -8.252 33 HD3 ARG 70 1HD ARG 70 9.869 16.651 -9.651 34 HE ARG 70 HE ARG 70 11.222 19.037 -10.371 35 HH11 ARG 70 1HH1 ARG 70 11.899 15.592 -9.723 36 HH12 ARG 70 2HH1 ARG 70 13.314 15.547 -10.661 37 HH21 ARG 70 1HH2 ARG 70 13.207 18.986 -11.612 38 HH22 ARG 70 2HH2 ARG 70 14.087 17.542 -11.764 39 H GLY 71 H GLY 71 7.095 18.348 -5.795 40 HA2 GLY 71 2HA GLY 71 5.806 17.722 -3.998 41 HA3 GLY 71 1HA GLY 71 4.424 17.678 -5.077 42 H ARG 72 H ARG 72 3.818 15.750 -4.029 43 HA ARG 72 HA ARG 72 5.393 13.355 -4.607 44 HB2 ARG 72 2HB ARG 72 2.656 13.689 -3.316 45 HB3 ARG 72 1HB ARG 72 3.434 12.149 -3.577 46 HG2 ARG 72 2HG ARG 72 3.631 12.725 -1.274 47 HG3 ARG 72 1HG ARG 72 5.230 12.870 -1.991 48 HD2 ARG 72 2HD ARG 72 5.066 15.267 -1.997 49 HD3 ARG 72 1HD ARG 72 3.364 15.204 -1.540 50 HE ARG 72 HE ARG 72 4.440 13.931 0.481 51 HH11 ARG 72 1HH1 ARG 72 5.659 16.928 -1.022 52 HH12 ARG 72 2HH1 ARG 72 6.202 17.576 0.451 53 HH21 ARG 72 1HH2 ARG 72 5.219 14.915 2.513 54 HH22 ARG 72 2HH2 ARG 72 5.958 16.448 2.433 55 H GLY 73 H GLY 73 2.692 15.217 -5.609 56 HA2 GLY 73 2HA GLY 73 1.584 15.194 -7.626 57 HA3 GLY 73 1HA GLY 73 2.308 13.618 -7.984 58 H ALA 74 H ALA 74 0.689 12.272 -8.221 59 HA ALA 74 HA ALA 74 -0.955 11.693 -5.908 60 HB1 ALA 74 1HB ALA 74 -2.347 13.269 -7.215 61 HB2 ALA 74 2HB ALA 74 -3.007 11.633 -7.229 62 HB3 ALA 74 3HB ALA 74 -2.139 12.243 -8.637 63 H ILE 75 H ILE 75 -1.913 9.667 -6.134 64 HA ILE 75 HA ILE 75 -0.100 7.860 -7.453 65 HB ILE 75 HB ILE 75 -2.540 7.317 -5.780 66 HG12 ILE 75 2HG1 ILE 75 0.331 7.407 -4.907 67 HG13 ILE 75 1HG1 ILE 75 -0.778 8.758 -4.728 68 HG21 ILE 75 1HG2 ILE 75 -0.114 5.604 -6.414 69 HG22 ILE 75 2HG2 ILE 75 -1.710 5.397 -7.126 70 HG23 ILE 75 3HG2 ILE 75 -1.476 5.116 -5.399 71 HD11 ILE 75 1HD1 ILE 75 -2.185 7.408 -3.286 72 HD12 ILE 75 2HD1 ILE 75 -0.548 7.562 -2.653 73 HD13 ILE 75 3HD1 ILE 75 -1.060 6.048 -3.425 74 H ASP 76 H ASP 76 -0.519 8.008 -9.435 75 HA ASP 76 HA ASP 76 -3.229 8.059 -10.549 76 HB2 ASP 76 2HB ASP 76 -1.525 9.557 -11.518 77 HB3 ASP 76 1HB ASP 76 -0.580 8.158 -12.012 78 H ARG 77 H ARG 77 -0.367 6.059 -10.750 79 HA ARG 77 HA ARG 77 -1.957 3.918 -11.946 80 HB2 ARG 77 2HB ARG 77 1.022 4.013 -11.369 81 HB3 ARG 77 1HB ARG 77 0.189 2.750 -12.264 82 HG2 ARG 77 2HG ARG 77 -0.427 4.390 -13.984 83 HG3 ARG 77 1HG ARG 77 0.438 5.635 -13.096 84 HD2 ARG 77 2HD ARG 77 2.513 4.262 -13.338 85 HD3 ARG 77 1HD ARG 77 1.602 3.169 -14.381 86 HE ARG 77 HE ARG 77 1.318 5.821 -15.255 87 HH11 ARG 77 1HH1 ARG 77 3.620 3.126 -15.395 88 HH12 ARG 77 2HH1 ARG 77 4.534 3.783 -16.653 89 HH21 ARG 77 1HH2 ARG 77 2.563 6.698 -17.050 90 HH22 ARG 77 2HH2 ARG 77 3.916 5.855 -17.621 91 H GLU 78 H GLU 78 -1.233 1.662 -10.934 92 HA GLU 78 HA GLU 78 -2.314 1.535 -8.370 93 HB2 GLU 78 2HB GLU 78 -0.409 -0.499 -9.537 94 HB3 GLU 78 1HB GLU 78 -1.633 -0.776 -8.317 95 HG2 GLU 78 2HG GLU 78 -2.613 -1.693 -10.181 96 HG3 GLU 78 1HG GLU 78 -3.275 -0.063 -10.191 97 H GLN 79 H GLN 79 -1.341 1.106 -6.340 98 HA GLN 79 HA GLN 79 1.121 2.485 -5.958 99 HB2 GLN 79 2HB GLN 79 -0.405 0.754 -3.998 100 HB3 GLN 79 1HB GLN 79 1.012 1.710 -3.584 101 HG2 GLN 79 2HG GLN 79 -0.227 3.724 -4.340 102 HG3 GLN 79 1HG GLN 79 -1.667 2.715 -4.496 103 HE21 GLN 79 1HE2 GLN 79 -2.796 3.809 -2.930 104 HE22 GLN 79 2HE2 GLN 79 -2.412 3.721 -1.258 105 H SER 80 H SER 80 0.202 -0.787 -6.426 106 HA SER 80 HA SER 80 2.610 -2.072 -5.782 107 HB2 SER 80 2HB SER 80 0.673 -2.751 -7.993 108 HB3 SER 80 1HB SER 80 1.728 -3.871 -7.123 109 HG SER 80 HG SER 80 0.564 -3.235 -5.199 110 H ALA 81 H ALA 81 1.522 -0.406 -8.726 111 HA ALA 81 HA ALA 81 3.818 -0.989 -10.293 112 HB1 ALA 81 1HB ALA 81 1.690 -0.283 -11.301 113 HB2 ALA 81 2HB ALA 81 2.999 0.810 -11.762 114 HB3 ALA 81 3HB ALA 81 1.842 1.292 -10.523 115 H ALA 82 H ALA 82 2.881 1.589 -8.130 116 HA ALA 82 HA ALA 82 5.140 3.222 -8.526 117 HB1 ALA 82 1HB ALA 82 3.437 2.980 -6.044 118 HB2 ALA 82 2HB ALA 82 3.098 4.024 -7.425 119 HB3 ALA 82 3HB ALA 82 4.526 4.311 -6.430 120 H ILE 83 H ILE 83 4.558 0.502 -6.314 121 HA ILE 83 HA ILE 83 7.002 0.668 -4.922 122 HB ILE 83 HB ILE 83 5.374 -1.838 -5.516 123 HG12 ILE 83 2HG1 ILE 83 5.357 -0.023 -3.096 124 HG13 ILE 83 1HG1 ILE 83 4.102 -0.089 -4.325 125 HG21 ILE 83 1HG2 ILE 83 6.513 -2.801 -3.546 126 HG22 ILE 83 2HG2 ILE 83 7.495 -1.341 -3.414 127 HG23 ILE 83 3HG2 ILE 83 7.654 -2.386 -4.826 128 HD11 ILE 83 1HD1 ILE 83 4.873 -2.292 -2.424 129 HD12 ILE 83 2HD1 ILE 83 3.637 -2.408 -3.681 130 HD13 ILE 83 3HD1 ILE 83 3.428 -1.279 -2.343 131 H ARG 84 H ARG 84 6.053 -1.006 -7.856 132 HA ARG 84 HA ARG 84 8.428 -2.337 -8.411 133 HB2 ARG 84 2HB ARG 84 6.281 -1.262 -10.207 134 HB3 ARG 84 1HB ARG 84 7.643 -2.198 -10.813 135 HG2 ARG 84 2HG ARG 84 7.001 -4.112 -9.602 136 HG3 ARG 84 1HG ARG 84 5.841 -3.199 -8.639 137 HD2 ARG 84 2HD ARG 84 4.777 -4.567 -10.353 138 HD3 ARG 84 1HD ARG 84 4.458 -2.848 -10.547 139 HE ARG 84 HE ARG 84 6.673 -3.494 -12.109 140 HH11 ARG 84 1HH1 ARG 84 3.197 -4.196 -12.081 141 HH12 ARG 84 2HH1 ARG 84 3.112 -4.405 -13.772 142 HH21 ARG 84 1HH2 ARG 84 6.517 -3.768 -14.388 143 HH22 ARG 84 2HH2 ARG 84 5.003 -4.146 -15.096 144 H GLU 85 H GLU 85 7.316 0.859 -9.458 145 HA GLU 85 HA GLU 85 9.588 1.690 -10.834 146 HB2 GLU 85 2HB GLU 85 7.442 3.160 -9.360 147 HB3 GLU 85 1HB GLU 85 8.808 4.028 -10.043 148 HG2 GLU 85 2HG GLU 85 6.999 2.225 -11.616 149 HG3 GLU 85 1HG GLU 85 6.812 3.977 -11.489 150 H TRP 86 H TRP 86 8.752 2.115 -7.399 151 HA TRP 86 HA TRP 86 10.970 3.618 -6.676 152 HB2 TRP 86 2HB TRP 86 8.948 3.487 -5.337 153 HB3 TRP 86 1HB TRP 86 9.172 1.759 -5.116 154 HD1 TRP 86 HD TRP 86 10.325 5.126 -3.787 155 HE1 TRP 86 1HE TRP 86 11.701 4.758 -1.673 156 HE3 TRP 86 3HE TRP 86 10.672 0.080 -4.016 157 HZ2 TRP 86 2HZ TRP 86 12.828 2.542 -0.261 158 HZ3 TRP 86 3HZ TRP 86 11.924 -1.121 -2.235 159 HH2 TRP 86 HH TRP 86 12.967 0.099 -0.408 160 H ALA 87 H ALA 87 10.344 0.152 -6.652 161 HA ALA 87 HA ALA 87 12.682 -0.787 -5.518 162 HB1 ALA 87 1HB ALA 87 12.191 -2.872 -6.749 163 HB2 ALA 87 2HB ALA 87 11.018 -1.993 -7.727 164 HB3 ALA 87 3HB ALA 87 10.751 -2.191 -5.997 165 H ARG 88 H ARG 88 11.919 -0.181 -8.893 166 HA ARG 88 HA ARG 88 14.455 -0.850 -9.911 167 HB2 ARG 88 2HB ARG 88 12.273 0.842 -11.064 168 HB3 ARG 88 1HB ARG 88 13.767 0.484 -11.918 169 HG2 ARG 88 2HG ARG 88 13.236 -1.959 -11.618 170 HG3 ARG 88 1HG ARG 88 11.649 -1.451 -11.031 171 HD2 ARG 88 2HD ARG 88 11.222 -0.295 -13.072 172 HD3 ARG 88 1HD ARG 88 12.868 -0.662 -13.614 173 HE ARG 88 HE ARG 88 11.807 -3.114 -13.192 174 HH11 ARG 88 1HH1 ARG 88 10.599 -0.358 -15.083 175 HH12 ARG 88 2HH1 ARG 88 9.889 -1.310 -16.300 176 HH21 ARG 88 1HH2 ARG 88 10.804 -4.424 -14.849 177 HH22 ARG 88 2HH2 ARG 88 9.998 -3.701 -16.169 178 H ARG 89 H ARG 89 13.148 2.217 -8.781 179 HA ARG 89 HA ARG 89 15.332 3.871 -9.572 180 HB2 ARG 89 2HB ARG 89 13.521 4.279 -7.170 181 HB3 ARG 89 1HB ARG 89 14.512 5.502 -7.944 182 HG2 ARG 89 2HG ARG 89 12.153 4.102 -9.184 183 HG3 ARG 89 1HG ARG 89 12.166 5.740 -8.532 184 HD2 ARG 89 2HD ARG 89 13.631 6.493 -10.212 185 HD3 ARG 89 1HD ARG 89 13.995 4.841 -10.727 186 HE ARG 89 HE ARG 89 11.238 5.477 -10.944 187 HH11 ARG 89 1HH1 ARG 89 14.354 5.990 -12.535 188 HH12 ARG 89 2HH1 ARG 89 13.754 5.891 -14.120 189 HH21 ARG 89 1HH2 ARG 89 10.386 5.225 -13.140 190 HH22 ARG 89 2HH2 ARG 89 11.436 5.474 -14.462 191 H ASN 90 H ASN 90 14.743 1.882 -6.784 192 HA ASN 90 HA ASN 90 17.128 2.890 -5.473 193 HB2 ASN 90 2HB ASN 90 14.874 1.164 -4.591 194 HB3 ASN 90 1HB ASN 90 16.338 1.294 -3.595 195 HD21 ASN 90 1HD2 ASN 90 13.537 2.900 -4.836 196 HD22 ASN 90 2HD2 ASN 90 13.595 4.276 -3.795 197 H GLY 91 H GLY 91 16.319 0.319 -7.472 198 HA2 GLY 91 2HA GLY 91 18.017 -0.960 -8.492 199 HA3 GLY 91 1HA GLY 91 19.027 -0.711 -7.081 200 H HIS 92 H HIS 92 15.741 -1.668 -6.662 201 HA HIS 92 HA HIS 92 16.597 -4.204 -5.566 202 HB2 HIS 92 2HB HIS 92 13.909 -2.852 -5.784 203 HB3 HIS 92 1HB HIS 92 14.096 -4.479 -5.158 204 HD1 HIS 92 1HD HIS 92 14.655 -4.646 -2.664 205 HD2 HIS 92 2HD HIS 92 15.005 -0.809 -4.188 206 HE1 HIS 92 1HE HIS 92 14.866 -3.136 -0.673 207 H ASN 93 H ASN 93 16.719 -5.950 -6.797 208 HA ASN 93 HA ASN 93 15.713 -5.913 -9.483 209 HB2 ASN 93 2HB ASN 93 16.987 -8.206 -7.952 210 HB3 ASN 93 1HB ASN 93 16.637 -8.197 -9.673 211 HD21 ASN 93 1HD2 ASN 93 18.745 -7.078 -7.172 212 HD22 ASN 93 2HD2 ASN 93 19.940 -6.398 -8.216 213 H VAL 94 H VAL 94 13.554 -5.854 -9.460 214 HA VAL 94 HA VAL 94 12.167 -7.979 -7.994 215 HB VAL 94 HB VAL 94 11.117 -5.275 -8.910 216 HG11 VAL 94 1HG1 VAL 94 9.015 -5.890 -7.778 217 HG12 VAL 94 2HG1 VAL 94 9.656 -7.506 -7.479 218 HG13 VAL 94 3HG1 VAL 94 9.362 -6.967 -9.131 219 HG21 VAL 94 1HG2 VAL 94 12.520 -5.181 -6.920 220 HG22 VAL 94 2HG2 VAL 94 11.534 -6.428 -6.157 221 HG23 VAL 94 3HG2 VAL 94 10.833 -4.850 -6.519 222 H SER 95 H SER 95 11.402 -9.548 -9.153 223 HA SER 95 HA SER 95 11.305 -9.353 -12.004 224 HB2 SER 95 2HB SER 95 12.090 -11.417 -10.848 225 HB3 SER 95 1HB SER 95 10.486 -11.614 -10.149 226 HG SER 95 HG SER 95 10.582 -12.885 -11.931 227 H THR 96 H THR 96 9.518 -8.646 -13.065 228 HA THR 96 HA THR 96 7.114 -8.221 -11.588 229 HB THR 96 HB THR 96 6.316 -7.216 -13.758 230 HG1 THR 96 1HG THR 96 8.068 -6.854 -15.266 231 HG21 THR 96 1HG2 THR 96 7.833 -5.310 -13.631 232 HG22 THR 96 2HG2 THR 96 8.974 -6.292 -12.698 233 HG23 THR 96 3HG2 THR 96 7.390 -5.894 -12.024 234 H ARG 97 H ARG 97 8.441 -10.711 -13.231 235 HA ARG 97 HA ARG 97 5.938 -11.890 -14.052 236 HB2 ARG 97 2HB ARG 97 8.753 -13.004 -14.094 237 HB3 ARG 97 1HB ARG 97 7.338 -13.851 -14.698 238 HG2 ARG 97 2HG ARG 97 7.029 -12.198 -16.416 239 HG3 ARG 97 1HG ARG 97 8.353 -11.233 -15.759 240 HD2 ARG 97 2HD ARG 97 9.924 -13.036 -16.230 241 HD3 ARG 97 1HD ARG 97 8.610 -14.039 -16.828 242 HE ARG 97 HE ARG 97 8.382 -12.619 -18.682 243 HH11 ARG 97 1HH1 ARG 97 11.170 -11.714 -16.685 244 HH12 ARG 97 2HH1 ARG 97 12.047 -11.017 -17.963 245 HH21 ARG 97 1HH2 ARG 97 9.613 -11.644 -20.449 246 HH22 ARG 97 2HH2 ARG 97 11.149 -10.966 -20.131 247 H GLY 98 H GLY 98 5.195 -11.664 -11.804 248 HA2 GLY 98 2HA GLY 98 4.765 -13.914 -10.475 249 HA3 GLY 98 1HA GLY 98 6.373 -13.479 -9.894 250 H ARG 99 H ARG 99 6.439 -12.278 -8.145 251 HA ARG 99 HA ARG 99 4.057 -10.728 -7.376 252 HB2 ARG 99 2HB ARG 99 5.725 -12.561 -5.649 253 HB3 ARG 99 1HB ARG 99 4.503 -11.460 -5.047 254 HG2 ARG 99 2HG ARG 99 3.976 -13.721 -6.956 255 HG3 ARG 99 1HG ARG 99 3.751 -13.811 -5.210 256 HD2 ARG 99 2HD ARG 99 2.325 -11.944 -7.107 257 HD3 ARG 99 1HD ARG 99 1.650 -13.371 -6.327 258 HE ARG 99 HE ARG 99 2.724 -11.492 -4.466 259 HH11 ARG 99 1HH1 ARG 99 -0.177 -12.312 -6.319 260 HH12 ARG 99 2HH1 ARG 99 -1.227 -11.479 -5.267 261 HH21 ARG 99 1HH2 ARG 99 1.336 -10.342 -3.099 262 HH22 ARG 99 2HH2 ARG 99 -0.348 -10.296 -3.382 263 H ILE 100 H ILE 100 4.533 -8.967 -5.955 264 HA ILE 100 HA ILE 100 7.232 -7.975 -6.197 265 HB ILE 100 HB ILE 100 4.812 -6.744 -4.812 266 HG12 ILE 100 2HG1 ILE 100 6.019 -6.133 -7.520 267 HG13 ILE 100 1HG1 ILE 100 4.496 -6.971 -7.250 268 HG21 ILE 100 1HG2 ILE 100 7.483 -5.522 -5.528 269 HG22 ILE 100 2HG2 ILE 100 6.920 -5.907 -3.901 270 HG23 ILE 100 3HG2 ILE 100 6.112 -4.652 -4.838 271 HD11 ILE 100 1HD1 ILE 100 4.117 -4.664 -7.868 272 HD12 ILE 100 2HD1 ILE 100 5.127 -4.117 -6.538 273 HD13 ILE 100 3HD1 ILE 100 3.598 -4.933 -6.203 274 HA PRO 101 HA PRO 101 8.281 -10.060 -2.404 275 HB2 PRO 101 2HB PRO 101 10.479 -8.092 -2.250 276 HB3 PRO 101 1HB PRO 101 10.573 -9.860 -2.326 277 HG2 PRO 101 2HG PRO 101 11.259 -8.337 -4.400 278 HG3 PRO 101 1HG PRO 101 10.504 -9.930 -4.599 279 HD2 PRO 101 2HD PRO 101 9.314 -7.232 -4.945 280 HD3 PRO 101 1HD PRO 101 8.987 -8.756 -5.797 281 H ALA 102 H ALA 102 7.575 -9.782 -0.437 282 HA ALA 102 HA ALA 102 6.304 -7.460 0.498 283 HB1 ALA 102 1HB ALA 102 7.341 -9.797 2.102 284 HB2 ALA 102 2HB ALA 102 5.770 -9.725 1.308 285 HB3 ALA 102 3HB ALA 102 6.138 -8.625 2.640 286 H ASP 103 H ASP 103 9.556 -8.605 0.821 287 HA ASP 103 HA ASP 103 10.488 -6.882 2.837 288 HB2 ASP 103 2HB ASP 103 11.796 -8.789 1.982 289 HB3 ASP 103 1HB ASP 103 11.967 -7.982 0.430 290 H VAL 104 H VAL 104 10.106 -6.466 -0.645 291 HA VAL 104 HA VAL 104 11.368 -3.891 -0.730 292 HB VAL 104 HB VAL 104 9.670 -5.365 -2.791 293 HG11 VAL 104 1HG1 VAL 104 11.299 -2.843 -3.162 294 HG12 VAL 104 2HG1 VAL 104 9.541 -2.917 -3.134 295 HG13 VAL 104 3HG1 VAL 104 10.438 -3.724 -4.424 296 HG21 VAL 104 1HG2 VAL 104 11.837 -6.395 -2.309 297 HG22 VAL 104 2HG2 VAL 104 12.617 -4.838 -2.653 298 HG23 VAL 104 3HG2 VAL 104 11.777 -5.702 -3.937 299 H ILE 105 H ILE 105 8.137 -5.180 -0.550 300 HA ILE 105 HA ILE 105 6.703 -2.771 -0.837 301 HB ILE 105 HB ILE 105 5.944 -5.237 0.768 302 HG12 ILE 105 2HG1 ILE 105 5.221 -4.463 -2.078 303 HG13 ILE 105 1HG1 ILE 105 6.431 -5.656 -1.635 304 HG21 ILE 105 1HG2 ILE 105 4.620 -3.292 1.416 305 HG22 ILE 105 2HG2 ILE 105 3.625 -4.449 0.525 306 HG23 ILE 105 3HG2 ILE 105 4.213 -2.981 -0.267 307 HD11 ILE 105 1HD1 ILE 105 4.355 -6.695 -2.330 308 HD12 ILE 105 2HD1 ILE 105 3.476 -5.839 -1.061 309 HD13 ILE 105 3HD1 ILE 105 4.690 -7.051 -0.640 310 H ASP 106 H ASP 106 7.971 -4.411 2.046 311 HA ASP 106 HA ASP 106 7.020 -2.517 3.921 312 HB2 ASP 106 2HB ASP 106 7.718 -4.742 4.638 313 HB3 ASP 106 1HB ASP 106 9.363 -4.425 4.097 314 H ALA 107 H ALA 107 10.024 -2.892 2.176 315 HA ALA 107 HA ALA 107 11.452 -0.770 3.327 316 HB1 ALA 107 1HB ALA 107 12.452 -2.564 1.988 317 HB2 ALA 107 2HB ALA 107 12.906 -0.964 1.393 318 HB3 ALA 107 3HB ALA 107 11.669 -1.910 0.552 319 H TYR 108 H TYR 108 9.319 -0.956 0.547 320 HA TYR 108 HA TYR 108 9.505 1.637 -0.425 321 HB2 TYR 108 2HB TYR 108 8.377 -0.109 -1.664 322 HB3 TYR 108 1HB TYR 108 7.189 -0.308 -0.391 323 HD1 TYR 108 1HD TYR 108 8.371 1.984 -3.024 324 HD2 TYR 108 2HD TYR 108 5.212 1.027 -0.360 325 HE1 TYR 108 1HE TYR 108 6.912 3.552 -4.208 326 HE2 TYR 108 2HE TYR 108 3.731 2.600 -1.532 327 HH TYR 108 HH TYR 108 3.860 4.528 -2.973 328 H HIS 109 H HIS 109 7.130 0.253 1.831 329 HA HIS 109 HA HIS 109 5.995 2.770 2.315 330 HB2 HIS 109 2HB HIS 109 5.586 0.139 3.709 331 HB3 HIS 109 1HB HIS 109 4.761 1.606 4.226 332 HD1 HIS 109 1HD HIS 109 3.114 2.718 2.349 333 HD2 HIS 109 2HD HIS 109 4.472 -1.142 1.587 334 HE1 HIS 109 1HE HIS 109 1.626 1.800 0.552 335 H ALA 110 H ALA 110 8.752 1.309 3.614 336 HA ALA 110 HA ALA 110 8.782 2.975 5.982 337 HB1 ALA 110 1HB ALA 110 10.998 2.029 6.384 338 HB2 ALA 110 2HB ALA 110 10.977 1.279 4.788 339 HB3 ALA 110 3HB ALA 110 9.836 0.749 6.023 340 H ALA 111 H ALA 111 10.088 3.047 2.738 341 HA ALA 111 HA ALA 111 11.846 5.254 3.331 342 HB1 ALA 111 1HB ALA 111 12.460 5.173 0.997 343 HB2 ALA 111 2HB ALA 111 11.138 4.046 0.672 344 HB3 ALA 111 3HB ALA 111 12.480 3.555 1.699 345 H THR 112 H THR 112 8.808 4.843 1.518 346 HA THR 112 HA THR 112 8.847 7.713 1.272 347 HB THR 112 HB THR 112 8.560 6.587 -0.883 348 HG1 THR 112 1HG THR 112 7.309 8.586 -0.172 349 HG21 THR 112 1HG2 THR 112 7.406 4.546 -0.172 350 HG22 THR 112 2HG2 THR 112 6.502 5.358 -1.451 351 HG23 THR 112 3HG2 THR 112 5.971 5.487 0.230 Start of MODEL 11 1 H MET 65 1HT MET 65 -17.745 12.579 -16.421 2 HA MET 65 HA MET 65 -16.822 13.085 -14.270 3 HB2 MET 65 2HB MET 65 -18.729 10.733 -14.289 4 HB3 MET 65 1HB MET 65 -18.382 11.690 -12.863 5 HG2 MET 65 2HG MET 65 -19.286 13.675 -14.013 6 HG3 MET 65 1HG MET 65 -19.686 12.661 -15.397 7 HE1 MET 65 1HE MET 65 -23.197 13.457 -13.787 8 HE2 MET 65 2HE MET 65 -22.224 13.541 -15.254 9 HE3 MET 65 3HE MET 65 -21.800 14.531 -13.855 10 H SER 66 H SER 66 -14.640 12.654 -14.050 11 HA SER 66 HA SER 66 -13.921 10.817 -12.119 12 HB2 SER 66 2HB SER 66 -14.081 9.129 -13.971 13 HB3 SER 66 1HB SER 66 -12.944 10.088 -14.917 14 HG SER 66 HG SER 66 -11.968 8.305 -13.720 15 H GLY 67 H GLY 67 -11.966 11.557 -11.268 16 HA2 GLY 67 2HA GLY 67 -9.774 12.474 -11.628 17 HA3 GLY 67 1HA GLY 67 -10.424 13.386 -12.977 18 H SER 68 H SER 68 -12.769 13.710 -10.784 19 HA SER 68 HA SER 68 -11.794 16.294 -10.013 20 HB2 SER 68 2HB SER 68 -14.385 14.897 -9.281 21 HB3 SER 68 1HB SER 68 -13.994 16.574 -8.926 22 HG SER 68 HG SER 68 -14.158 15.428 -11.530 23 H GLY 69 H GLY 69 -10.129 16.037 -8.676 24 HA2 GLY 69 2HA GLY 69 -10.407 15.999 -6.002 25 HA3 GLY 69 1HA GLY 69 -10.213 14.291 -6.400 26 H ARG 70 H ARG 70 -8.797 17.351 -7.440 27 HA ARG 70 HA ARG 70 -6.217 16.180 -7.851 28 HB2 ARG 70 2HB ARG 70 -6.916 19.109 -7.553 29 HB3 ARG 70 1HB ARG 70 -5.443 18.448 -8.235 30 HG2 ARG 70 2HG ARG 70 -8.200 18.182 -9.415 31 HG3 ARG 70 1HG ARG 70 -6.956 19.300 -9.956 32 HD2 ARG 70 2HD ARG 70 -5.528 17.380 -10.540 33 HD3 ARG 70 1HD ARG 70 -6.814 16.288 -10.016 34 HE ARG 70 HE ARG 70 -7.465 18.262 -12.033 35 HH11 ARG 70 1HH1 ARG 70 -6.613 14.886 -11.385 36 HH12 ARG 70 2HH1 ARG 70 -7.329 14.272 -12.787 37 HH21 ARG 70 1HH2 ARG 70 -8.438 17.426 -13.995 38 HH22 ARG 70 2HH2 ARG 70 -8.381 15.752 -14.315 39 H GLY 71 H GLY 71 -4.635 15.927 -6.387 40 HA2 GLY 71 2HA GLY 71 -3.722 17.409 -4.413 41 HA3 GLY 71 1HA GLY 71 -5.167 16.730 -3.668 42 H ARG 72 H ARG 72 -2.913 16.085 -2.468 43 HA ARG 72 HA ARG 72 -1.908 13.645 -3.618 44 HB2 ARG 72 2HB ARG 72 -1.147 15.087 -1.090 45 HB3 ARG 72 1HB ARG 72 -0.380 13.609 -1.660 46 HG2 ARG 72 2HG ARG 72 0.387 14.718 -3.654 47 HG3 ARG 72 1HG ARG 72 -0.492 16.180 -3.213 48 HD2 ARG 72 2HD ARG 72 1.808 14.961 -1.692 49 HD3 ARG 72 1HD ARG 72 1.869 16.381 -2.735 50 HE ARG 72 HE ARG 72 0.203 16.282 -0.321 51 HH11 ARG 72 1HH1 ARG 72 2.679 17.929 -2.252 52 HH12 ARG 72 2HH1 ARG 72 2.660 19.333 -1.295 53 HH21 ARG 72 1HH2 ARG 72 0.234 18.162 0.996 54 HH22 ARG 72 2HH2 ARG 72 1.247 19.474 0.601 55 H GLY 73 H GLY 73 -3.902 12.759 -3.586 56 HA2 GLY 73 2HA GLY 73 -4.307 11.022 -1.293 57 HA3 GLY 73 1HA GLY 73 -5.701 11.966 -1.842 58 H ALA 74 H ALA 74 -5.338 12.061 -4.499 59 HA ALA 74 HA ALA 74 -5.939 9.447 -5.417 60 HB1 ALA 74 1HB ALA 74 -6.845 11.432 -6.537 61 HB2 ALA 74 2HB ALA 74 -5.879 10.443 -7.636 62 HB3 ALA 74 3HB ALA 74 -5.202 11.937 -6.974 63 H ILE 75 H ILE 75 -4.624 8.050 -6.460 64 HA ILE 75 HA ILE 75 -1.876 8.295 -5.658 65 HB ILE 75 HB ILE 75 -3.211 5.980 -7.099 66 HG12 ILE 75 2HG1 ILE 75 -2.942 6.330 -4.126 67 HG13 ILE 75 1HG1 ILE 75 -4.380 6.859 -4.987 68 HG21 ILE 75 1HG2 ILE 75 -1.464 4.677 -5.926 69 HG22 ILE 75 2HG2 ILE 75 -0.860 6.153 -5.176 70 HG23 ILE 75 3HG2 ILE 75 -0.723 5.934 -6.921 71 HD11 ILE 75 1HD1 ILE 75 -4.672 4.682 -3.973 72 HD12 ILE 75 2HD1 ILE 75 -3.319 4.045 -4.930 73 HD13 ILE 75 3HD1 ILE 75 -4.791 4.625 -5.728 74 H ASP 76 H ASP 76 -0.193 8.467 -6.965 75 HA ASP 76 HA ASP 76 -0.515 9.808 -9.426 76 HB2 ASP 76 2HB ASP 76 1.388 10.232 -7.963 77 HB3 ASP 76 1HB ASP 76 1.949 8.579 -8.181 78 H ARG 77 H ARG 77 0.160 6.493 -8.644 79 HA ARG 77 HA ARG 77 -0.175 5.706 -11.460 80 HB2 ARG 77 2HB ARG 77 2.001 4.703 -9.605 81 HB3 ARG 77 1HB ARG 77 1.703 4.106 -11.222 82 HG2 ARG 77 2HG ARG 77 2.351 6.272 -12.143 83 HG3 ARG 77 1HG ARG 77 2.624 6.880 -10.507 84 HD2 ARG 77 2HD ARG 77 4.282 5.105 -10.165 85 HD3 ARG 77 1HD ARG 77 4.072 4.588 -11.825 86 HE ARG 77 HE ARG 77 5.020 7.244 -11.051 87 HH11 ARG 77 1HH1 ARG 77 5.037 4.621 -13.400 88 HH12 ARG 77 2HH1 ARG 77 6.641 4.908 -13.938 89 HH21 ARG 77 1HH2 ARG 77 7.205 7.720 -11.888 90 HH22 ARG 77 2HH2 ARG 77 7.883 6.724 -13.094 91 H GLU 78 H GLU 78 0.054 2.968 -11.074 92 HA GLU 78 HA GLU 78 -2.066 2.300 -9.228 93 HB2 GLU 78 2HB GLU 78 -0.055 0.420 -10.500 94 HB3 GLU 78 1HB GLU 78 -1.598 -0.015 -9.800 95 HG2 GLU 78 2HG GLU 78 -2.731 1.218 -11.591 96 HG3 GLU 78 1HG GLU 78 -1.162 1.566 -12.315 97 H GLN 79 H GLN 79 -1.759 1.308 -7.171 98 HA GLN 79 HA GLN 79 0.319 2.168 -5.588 99 HB2 GLN 79 2HB GLN 79 -1.308 -0.352 -5.192 100 HB3 GLN 79 1HB GLN 79 -0.285 0.370 -3.971 101 HG2 GLN 79 2HG GLN 79 -2.345 1.103 -3.327 102 HG3 GLN 79 1HG GLN 79 -1.805 2.446 -4.311 103 HE21 GLN 79 1HE2 GLN 79 -4.459 1.476 -3.571 104 HE22 GLN 79 2HE2 GLN 79 -5.355 1.290 -5.032 105 H SER 80 H SER 80 -0.078 -1.156 -6.755 106 HA SER 80 HA SER 80 2.394 -2.079 -5.941 107 HB2 SER 80 2HB SER 80 0.625 -3.075 -8.159 108 HB3 SER 80 1HB SER 80 1.801 -4.023 -7.234 109 HG SER 80 HG SER 80 -0.213 -4.331 -6.400 110 H ALA 81 H ALA 81 1.399 -0.514 -8.958 111 HA ALA 81 HA ALA 81 3.761 -1.158 -10.404 112 HB1 ALA 81 1HB ALA 81 3.062 0.534 -12.007 113 HB2 ALA 81 2HB ALA 81 1.880 1.161 -10.862 114 HB3 ALA 81 3HB ALA 81 1.681 -0.459 -11.536 115 H ALA 82 H ALA 82 2.798 1.498 -8.327 116 HA ALA 82 HA ALA 82 5.065 3.117 -8.725 117 HB1 ALA 82 1HB ALA 82 3.204 2.923 -6.357 118 HB2 ALA 82 2HB ALA 82 2.987 3.976 -7.756 119 HB3 ALA 82 3HB ALA 82 4.337 4.236 -6.656 120 H ILE 83 H ILE 83 4.273 0.570 -6.392 121 HA ILE 83 HA ILE 83 6.644 0.708 -4.886 122 HB ILE 83 HB ILE 83 5.064 -1.829 -5.495 123 HG12 ILE 83 2HG1 ILE 83 4.759 0.126 -3.197 124 HG13 ILE 83 1HG1 ILE 83 3.641 -0.035 -4.542 125 HG21 ILE 83 1HG2 ILE 83 6.948 -1.153 -3.221 126 HG22 ILE 83 2HG2 ILE 83 7.262 -2.292 -4.529 127 HG23 ILE 83 3HG2 ILE 83 6.000 -2.632 -3.347 128 HD11 ILE 83 1HD1 ILE 83 4.238 -2.129 -2.459 129 HD12 ILE 83 2HD1 ILE 83 3.133 -2.326 -3.819 130 HD13 ILE 83 3HD1 ILE 83 2.783 -1.137 -2.563 131 H ARG 84 H ARG 84 5.852 -1.103 -7.795 132 HA ARG 84 HA ARG 84 8.311 -2.400 -8.167 133 HB2 ARG 84 2HB ARG 84 6.139 -1.594 -10.073 134 HB3 ARG 84 1HB ARG 84 7.573 -2.458 -10.618 135 HG2 ARG 84 2HG ARG 84 7.015 -4.366 -9.400 136 HG3 ARG 84 1HG ARG 84 5.868 -3.490 -8.387 137 HD2 ARG 84 2HD ARG 84 4.723 -4.899 -10.002 138 HD3 ARG 84 1HD ARG 84 4.411 -3.184 -10.271 139 HE ARG 84 HE ARG 84 6.504 -4.419 -11.853 140 HH11 ARG 84 1HH1 ARG 84 3.161 -3.305 -11.710 141 HH12 ARG 84 2HH1 ARG 84 2.918 -3.274 -13.392 142 HH21 ARG 84 1HH2 ARG 84 6.170 -4.411 -14.213 143 HH22 ARG 84 2HH2 ARG 84 4.656 -3.921 -14.820 144 H GLU 85 H GLU 85 7.165 0.754 -9.323 145 HA GLU 85 HA GLU 85 9.404 1.521 -10.810 146 HB2 GLU 85 2HB GLU 85 7.431 3.142 -9.221 147 HB3 GLU 85 1HB GLU 85 8.687 3.874 -10.211 148 HG2 GLU 85 2HG GLU 85 6.528 2.039 -11.203 149 HG3 GLU 85 1HG GLU 85 6.512 3.796 -11.324 150 H TRP 86 H TRP 86 8.617 2.065 -7.389 151 HA TRP 86 HA TRP 86 10.871 3.505 -6.673 152 HB2 TRP 86 2HB TRP 86 8.842 3.374 -5.334 153 HB3 TRP 86 1HB TRP 86 9.060 1.646 -5.127 154 HD1 TRP 86 HD TRP 86 10.142 4.981 -3.747 155 HE1 TRP 86 1HE TRP 86 11.542 4.596 -1.612 156 HE3 TRP 86 3HE TRP 86 10.633 -0.004 -4.090 157 HZ2 TRP 86 2HZ TRP 86 12.718 2.409 -0.264 158 HZ3 TRP 86 3HZ TRP 86 11.929 -1.230 -2.339 159 HH2 TRP 86 HH TRP 86 12.936 -0.027 -0.476 160 H ALA 87 H ALA 87 10.147 0.074 -6.641 161 HA ALA 87 HA ALA 87 12.495 -0.934 -5.551 162 HB1 ALA 87 1HB ALA 87 10.704 -2.151 -7.640 163 HB2 ALA 87 2HB ALA 87 10.463 -2.240 -5.900 164 HB3 ALA 87 3HB ALA 87 11.844 -3.044 -6.642 165 H ARG 88 H ARG 88 11.663 -0.176 -8.869 166 HA ARG 88 HA ARG 88 14.065 -1.097 -10.047 167 HB2 ARG 88 2HB ARG 88 12.031 0.914 -11.021 168 HB3 ARG 88 1HB ARG 88 13.393 0.392 -11.992 169 HG2 ARG 88 2HG ARG 88 11.167 -1.364 -10.956 170 HG3 ARG 88 1HG ARG 88 11.359 -0.788 -12.614 171 HD2 ARG 88 2HD ARG 88 13.488 -1.983 -12.779 172 HD3 ARG 88 1HD ARG 88 13.289 -2.570 -11.131 173 HE ARG 88 HE ARG 88 11.040 -3.305 -12.586 174 HH11 ARG 88 1HH1 ARG 88 14.478 -4.067 -12.409 175 HH12 ARG 88 2HH1 ARG 88 14.316 -5.630 -13.064 176 HH21 ARG 88 1HH2 ARG 88 10.814 -5.417 -13.472 177 HH22 ARG 88 2HH2 ARG 88 12.189 -6.413 -13.737 178 H ARG 89 H ARG 89 13.108 1.986 -8.704 179 HA ARG 89 HA ARG 89 15.435 3.419 -9.595 180 HB2 ARG 89 2HB ARG 89 13.707 4.157 -7.215 181 HB3 ARG 89 1HB ARG 89 14.696 5.233 -8.187 182 HG2 ARG 89 2HG ARG 89 12.154 3.852 -9.011 183 HG3 ARG 89 1HG ARG 89 12.400 5.575 -8.753 184 HD2 ARG 89 2HD ARG 89 13.732 5.772 -10.684 185 HD3 ARG 89 1HD ARG 89 13.953 4.024 -10.776 186 HE ARG 89 HE ARG 89 11.237 4.971 -11.062 187 HH11 ARG 89 1HH1 ARG 89 14.228 4.034 -12.718 188 HH12 ARG 89 2HH1 ARG 89 13.467 3.514 -14.144 189 HH21 ARG 89 1HH2 ARG 89 10.128 4.177 -13.099 190 HH22 ARG 89 2HH2 ARG 89 11.113 3.609 -14.340 191 H ASN 90 H ASN 90 14.585 1.729 -6.683 192 HA ASN 90 HA ASN 90 17.025 2.492 -5.346 193 HB2 ASN 90 2HB ASN 90 14.701 0.780 -4.566 194 HB3 ASN 90 1HB ASN 90 16.142 0.890 -3.546 195 HD21 ASN 90 1HD2 ASN 90 13.453 2.626 -4.906 196 HD22 ASN 90 2HD2 ASN 90 13.493 3.953 -3.814 197 H GLY 91 H GLY 91 16.009 -0.122 -7.297 198 HA2 GLY 91 2HA GLY 91 17.652 -1.448 -8.391 199 HA3 GLY 91 1HA GLY 91 18.718 -1.174 -7.021 200 H HIS 92 H HIS 92 15.376 -2.301 -6.996 201 HA HIS 92 HA HIS 92 16.274 -4.696 -5.610 202 HB2 HIS 92 2HB HIS 92 13.598 -3.377 -5.921 203 HB3 HIS 92 1HB HIS 92 13.773 -4.976 -5.210 204 HD1 HIS 92 1HD HIS 92 14.467 -5.022 -2.720 205 HD2 HIS 92 2HD HIS 92 14.668 -1.258 -4.458 206 HE1 HIS 92 1HE HIS 92 14.809 -3.416 -0.840 207 H ASN 93 H ASN 93 15.556 -6.721 -6.296 208 HA ASN 93 HA ASN 93 15.052 -6.808 -9.172 209 HB2 ASN 93 2HB ASN 93 16.190 -8.940 -7.340 210 HB3 ASN 93 1HB ASN 93 15.877 -9.159 -9.050 211 HD21 ASN 93 1HD2 ASN 93 17.298 -8.272 -10.538 212 HD22 ASN 93 2HD2 ASN 93 18.806 -7.564 -10.100 213 H VAL 94 H VAL 94 12.900 -6.414 -8.977 214 HA VAL 94 HA VAL 94 11.221 -8.282 -7.503 215 HB VAL 94 HB VAL 94 10.468 -5.849 -9.177 216 HG11 VAL 94 1HG1 VAL 94 8.762 -7.464 -7.280 217 HG12 VAL 94 2HG1 VAL 94 8.583 -7.407 -9.034 218 HG13 VAL 94 3HG1 VAL 94 8.281 -5.961 -8.067 219 HG21 VAL 94 1HG2 VAL 94 10.115 -4.745 -7.028 220 HG22 VAL 94 2HG2 VAL 94 11.785 -5.281 -7.223 221 HG23 VAL 94 3HG2 VAL 94 10.680 -6.193 -6.196 222 H SER 95 H SER 95 12.519 -7.889 -10.595 223 HA SER 95 HA SER 95 12.422 -8.987 -12.486 224 HB2 SER 95 2HB SER 95 12.330 -11.084 -11.211 225 HB3 SER 95 1HB SER 95 10.591 -10.905 -11.016 226 HG SER 95 HG SER 95 10.805 -12.275 -12.624 227 H THR 96 H THR 96 11.046 -9.428 -14.358 228 HA THR 96 HA THR 96 8.998 -7.485 -14.671 229 HB THR 96 HB THR 96 9.186 -9.628 -16.659 230 HG1 THR 96 1HG THR 96 11.504 -8.029 -16.240 231 HG21 THR 96 1HG2 THR 96 9.627 -7.703 -18.149 232 HG22 THR 96 2HG2 THR 96 9.753 -6.651 -16.740 233 HG23 THR 96 3HG2 THR 96 8.214 -7.419 -17.134 234 H ARG 97 H ARG 97 9.070 -10.613 -13.414 235 HA ARG 97 HA ARG 97 6.171 -10.956 -13.713 236 HB2 ARG 97 2HB ARG 97 8.328 -13.061 -13.793 237 HB3 ARG 97 1HB ARG 97 6.627 -13.421 -13.602 238 HG2 ARG 97 2HG ARG 97 6.169 -12.556 -15.814 239 HG3 ARG 97 1HG ARG 97 7.857 -12.062 -15.993 240 HD2 ARG 97 2HD ARG 97 7.395 -14.186 -17.128 241 HD3 ARG 97 1HD ARG 97 8.583 -14.375 -15.844 242 HE ARG 97 HE ARG 97 5.793 -15.268 -15.810 243 HH11 ARG 97 1HH1 ARG 97 8.982 -15.284 -14.249 244 HH12 ARG 97 2HH1 ARG 97 8.693 -16.662 -13.305 245 HH21 ARG 97 1HH2 ARG 97 5.404 -17.234 -14.521 246 HH22 ARG 97 2HH2 ARG 97 6.614 -17.809 -13.469 247 H GLY 98 H GLY 98 5.623 -12.807 -11.985 248 HA2 GLY 98 2HA GLY 98 5.757 -13.641 -9.858 249 HA3 GLY 98 1HA GLY 98 7.239 -12.733 -9.608 250 H ARG 99 H ARG 99 6.118 -12.460 -7.534 251 HA ARG 99 HA ARG 99 4.077 -10.348 -7.554 252 HB2 ARG 99 2HB ARG 99 3.716 -10.883 -5.218 253 HB3 ARG 99 1HB ARG 99 3.683 -12.377 -6.148 254 HG2 ARG 99 2HG ARG 99 5.939 -12.909 -5.451 255 HG3 ARG 99 1HG ARG 99 6.060 -11.374 -4.602 256 HD2 ARG 99 2HD ARG 99 4.229 -12.084 -3.113 257 HD3 ARG 99 1HD ARG 99 4.187 -13.640 -3.947 258 HE ARG 99 HE ARG 99 6.780 -12.933 -2.997 259 HH11 ARG 99 1HH1 ARG 99 3.727 -14.361 -1.910 260 HH12 ARG 99 2HH1 ARG 99 4.453 -15.385 -0.772 261 HH21 ARG 99 1HH2 ARG 99 7.768 -14.296 -1.405 262 HH22 ARG 99 2HH2 ARG 99 6.809 -15.337 -0.466 263 H ILE 100 H ILE 100 4.446 -8.746 -5.696 264 HA ILE 100 HA ILE 100 7.173 -7.786 -5.860 265 HB ILE 100 HB ILE 100 4.807 -6.563 -4.400 266 HG12 ILE 100 2HG1 ILE 100 5.885 -5.930 -7.157 267 HG13 ILE 100 1HG1 ILE 100 4.374 -6.765 -6.815 268 HG21 ILE 100 1HG2 ILE 100 7.462 -5.390 -5.262 269 HG22 ILE 100 2HG2 ILE 100 6.997 -5.795 -3.610 270 HG23 ILE 100 3HG2 ILE 100 6.157 -4.505 -4.470 271 HD11 ILE 100 1HD1 ILE 100 3.525 -4.773 -5.713 272 HD12 ILE 100 2HD1 ILE 100 4.016 -4.435 -7.379 273 HD13 ILE 100 3HD1 ILE 100 5.055 -3.956 -6.034 274 HA PRO 101 HA PRO 101 8.011 -9.969 -2.046 275 HB2 PRO 101 2HB PRO 101 10.337 -8.180 -1.841 276 HB3 PRO 101 1HB PRO 101 10.307 -9.945 -1.969 277 HG2 PRO 101 2HG PRO 101 11.144 -8.399 -3.975 278 HG3 PRO 101 1HG PRO 101 10.323 -9.949 -4.231 279 HD2 PRO 101 2HD PRO 101 9.249 -7.187 -4.550 280 HD3 PRO 101 1HD PRO 101 8.886 -8.676 -5.447 281 H ALA 102 H ALA 102 7.476 -9.589 -0.023 282 HA ALA 102 HA ALA 102 6.230 -7.196 0.793 283 HB1 ALA 102 1HB ALA 102 5.682 -9.399 1.747 284 HB2 ALA 102 2HB ALA 102 6.103 -8.235 3.004 285 HB3 ALA 102 3HB ALA 102 7.272 -9.457 2.506 286 H ASP 103 H ASP 103 9.468 -8.323 1.008 287 HA ASP 103 HA ASP 103 10.493 -6.529 2.925 288 HB2 ASP 103 2HB ASP 103 11.754 -8.472 2.099 289 HB3 ASP 103 1HB ASP 103 11.844 -7.712 0.517 290 H VAL 104 H VAL 104 9.958 -6.288 -0.530 291 HA VAL 104 HA VAL 104 11.285 -3.768 -0.843 292 HB VAL 104 HB VAL 104 9.329 -5.243 -2.653 293 HG11 VAL 104 1HG1 VAL 104 11.091 -2.878 -3.305 294 HG12 VAL 104 2HG1 VAL 104 9.339 -2.822 -3.112 295 HG13 VAL 104 3HG1 VAL 104 10.054 -3.750 -4.434 296 HG21 VAL 104 1HG2 VAL 104 12.319 -4.968 -2.785 297 HG22 VAL 104 2HG2 VAL 104 11.311 -5.824 -3.952 298 HG23 VAL 104 3HG2 VAL 104 11.440 -6.413 -2.293 299 H ILE 105 H ILE 105 8.020 -4.939 -0.460 300 HA ILE 105 HA ILE 105 6.657 -2.484 -0.658 301 HB ILE 105 HB ILE 105 5.910 -4.944 0.959 302 HG12 ILE 105 2HG1 ILE 105 5.073 -4.137 -1.842 303 HG13 ILE 105 1HG1 ILE 105 6.295 -5.342 -1.473 304 HG21 ILE 105 1HG2 ILE 105 3.611 -4.108 0.827 305 HG22 ILE 105 2HG2 ILE 105 4.183 -2.648 0.000 306 HG23 ILE 105 3HG2 ILE 105 4.659 -2.958 1.665 307 HD11 ILE 105 1HD1 ILE 105 4.168 -6.344 -2.075 308 HD12 ILE 105 2HD1 ILE 105 3.379 -5.532 -0.718 309 HD13 ILE 105 3HD1 ILE 105 4.624 -6.752 -0.429 310 H ASP 106 H ASP 106 8.133 -4.153 2.065 311 HA ASP 106 HA ASP 106 7.263 -2.416 4.112 312 HB2 ASP 106 2HB ASP 106 8.147 -4.673 4.578 313 HB3 ASP 106 1HB ASP 106 9.732 -4.169 4.002 314 H ALA 107 H ALA 107 10.269 -2.675 2.310 315 HA ALA 107 HA ALA 107 11.563 -0.468 3.427 316 HB1 ALA 107 1HB ALA 107 12.664 -2.224 2.138 317 HB2 ALA 107 2HB ALA 107 13.042 -0.623 1.496 318 HB3 ALA 107 3HB ALA 107 11.849 -1.661 0.684 319 H TYR 108 H TYR 108 9.443 -0.764 0.639 320 HA TYR 108 HA TYR 108 9.519 1.794 -0.404 321 HB2 TYR 108 2HB TYR 108 8.372 -0.061 -1.495 322 HB3 TYR 108 1HB TYR 108 7.225 -0.157 -0.172 323 HD1 TYR 108 1HD TYR 108 8.347 2.011 -2.962 324 HD2 TYR 108 2HD TYR 108 5.207 1.061 -0.279 325 HE1 TYR 108 1HE TYR 108 6.841 3.428 -4.252 326 HE2 TYR 108 2HE TYR 108 3.676 2.493 -1.554 327 HH TYR 108 HH TYR 108 3.682 4.268 -3.115 328 H HIS 109 H HIS 109 7.280 0.500 2.049 329 HA HIS 109 HA HIS 109 6.231 3.087 2.475 330 HB2 HIS 109 2HB HIS 109 5.680 0.489 3.871 331 HB3 HIS 109 1HB HIS 109 4.966 2.005 4.416 332 HD1 HIS 109 1HD HIS 109 3.375 3.237 2.634 333 HD2 HIS 109 2HD HIS 109 4.481 -0.657 1.718 334 HE1 HIS 109 1HE HIS 109 1.867 2.531 0.768 335 H ALA 110 H ALA 110 8.910 1.488 3.734 336 HA ALA 110 HA ALA 110 9.003 3.139 6.111 337 HB1 ALA 110 1HB ALA 110 11.061 1.960 6.641 338 HB2 ALA 110 2HB ALA 110 11.045 1.192 5.051 339 HB3 ALA 110 3HB ALA 110 9.785 0.817 6.223 340 H ALA 111 H ALA 111 10.019 3.388 2.833 341 HA ALA 111 HA ALA 111 12.089 5.351 3.507 342 HB1 ALA 111 1HB ALA 111 12.617 3.637 1.802 343 HB2 ALA 111 2HB ALA 111 12.597 5.275 1.131 344 HB3 ALA 111 3HB ALA 111 11.227 4.202 0.865 345 H THR 112 H THR 112 9.101 4.805 1.888 346 HA THR 112 HA THR 112 8.747 7.618 1.432 347 HB THR 112 HB THR 112 8.124 5.125 -0.126 348 HG1 THR 112 1HG THR 112 9.898 7.223 -0.280 349 HG21 THR 112 1HG2 THR 112 7.075 6.539 -1.774 350 HG22 THR 112 2HG2 THR 112 7.227 7.931 -0.651 351 HG23 THR 112 3HG2 THR 112 6.235 6.505 -0.215 Start of MODEL 12 1 H MET 65 1HT MET 65 17.326 7.263 -16.988 2 HA MET 65 HA MET 65 16.827 8.566 -15.053 3 HB2 MET 65 2HB MET 65 16.633 10.776 -16.104 4 HB3 MET 65 1HB MET 65 17.733 9.765 -17.014 5 HG2 MET 65 2HG MET 65 14.864 10.294 -17.756 6 HG3 MET 65 1HG MET 65 16.240 11.174 -18.410 7 HE1 MET 65 1HE MET 65 18.411 8.850 -18.848 8 HE2 MET 65 2HE MET 65 18.035 10.112 -20.019 9 HE3 MET 65 3HE MET 65 18.045 8.418 -20.518 10 H SER 66 H SER 66 15.407 9.502 -13.690 11 HA SER 66 HA SER 66 12.626 9.713 -14.468 12 HB2 SER 66 2HB SER 66 13.020 7.408 -13.491 13 HB3 SER 66 1HB SER 66 13.579 8.186 -12.014 14 HG SER 66 HG SER 66 11.564 8.927 -11.613 15 H GLY 67 H GLY 67 11.493 11.080 -12.807 16 HA2 GLY 67 2HA GLY 67 12.435 12.190 -10.565 17 HA3 GLY 67 1HA GLY 67 13.284 13.104 -11.811 18 H SER 68 H SER 68 10.008 11.971 -11.041 19 HA SER 68 HA SER 68 8.873 14.105 -12.533 20 HB2 SER 68 2HB SER 68 6.725 13.164 -11.385 21 HB3 SER 68 1HB SER 68 7.554 12.178 -12.589 22 HG SER 68 HG SER 68 8.151 10.827 -11.126 23 H GLY 69 H GLY 69 7.845 15.946 -11.751 24 HA2 GLY 69 2HA GLY 69 8.339 16.482 -8.909 25 HA3 GLY 69 1HA GLY 69 8.781 17.648 -10.149 26 H ARG 70 H ARG 70 7.356 18.755 -8.465 27 HA ARG 70 HA ARG 70 5.569 19.975 -8.019 28 HB2 ARG 70 2HB ARG 70 4.651 19.232 -10.812 29 HB3 ARG 70 1HB ARG 70 3.816 20.373 -9.779 30 HG2 ARG 70 2HG ARG 70 5.124 21.622 -11.379 31 HG3 ARG 70 1HG ARG 70 5.887 21.802 -9.800 32 HD2 ARG 70 2HD ARG 70 7.539 20.108 -10.403 33 HD3 ARG 70 1HD ARG 70 6.712 19.867 -11.931 34 HE ARG 70 HE ARG 70 7.263 22.266 -12.366 35 HH11 ARG 70 1HH1 ARG 70 9.355 20.363 -10.224 36 HH12 ARG 70 2HH1 ARG 70 10.817 20.973 -10.834 37 HH21 ARG 70 1HH2 ARG 70 9.311 23.175 -13.175 38 HH22 ARG 70 2HH2 ARG 70 10.792 22.629 -12.506 39 H GLY 71 H GLY 71 5.008 18.693 -6.344 40 HA2 GLY 71 2HA GLY 71 3.158 17.827 -5.221 41 HA3 GLY 71 1HA GLY 71 2.513 17.278 -6.772 42 H ARG 72 H ARG 72 2.517 15.201 -6.984 43 HA ARG 72 HA ARG 72 3.115 13.018 -7.043 44 HB2 ARG 72 2HB ARG 72 5.947 13.960 -6.544 45 HB3 ARG 72 1HB ARG 72 5.468 12.406 -7.195 46 HG2 ARG 72 2HG ARG 72 5.166 15.088 -8.526 47 HG3 ARG 72 1HG ARG 72 6.317 13.828 -8.947 48 HD2 ARG 72 2HD ARG 72 3.310 13.617 -9.148 49 HD3 ARG 72 1HD ARG 72 4.429 13.892 -10.477 50 HE ARG 72 HE ARG 72 4.825 11.469 -8.922 51 HH11 ARG 72 1HH1 ARG 72 3.486 12.955 -11.826 52 HH12 ARG 72 2HH1 ARG 72 3.441 11.514 -12.723 53 HH21 ARG 72 1HH2 ARG 72 4.734 9.482 -10.126 54 HH22 ARG 72 2HH2 ARG 72 4.159 9.462 -11.709 55 H GLY 73 H GLY 73 2.494 14.382 -4.498 56 HA2 GLY 73 2HA GLY 73 4.035 12.936 -2.502 57 HA3 GLY 73 1HA GLY 73 2.666 14.011 -2.200 58 H ALA 74 H ALA 74 1.136 12.694 -4.241 59 HA ALA 74 HA ALA 74 0.076 10.443 -2.687 60 HB1 ALA 74 1HB ALA 74 -1.817 10.640 -4.222 61 HB2 ALA 74 2HB ALA 74 -0.962 11.884 -5.130 62 HB3 ALA 74 3HB ALA 74 -1.466 12.195 -3.466 63 H ILE 75 H ILE 75 -0.615 8.595 -3.906 64 HA ILE 75 HA ILE 75 1.588 7.617 -5.494 65 HB ILE 75 HB ILE 75 -0.929 6.233 -4.543 66 HG12 ILE 75 2HG1 ILE 75 1.821 6.133 -3.336 67 HG13 ILE 75 1HG1 ILE 75 0.586 7.255 -2.780 68 HG21 ILE 75 1HG2 ILE 75 1.723 5.119 -5.523 69 HG22 ILE 75 2HG2 ILE 75 0.196 5.066 -6.402 70 HG23 ILE 75 3HG2 ILE 75 0.377 4.160 -4.903 71 HD11 ILE 75 1HD1 ILE 75 -0.827 5.378 -2.182 72 HD12 ILE 75 2HD1 ILE 75 0.719 5.345 -1.341 73 HD13 ILE 75 3HD1 ILE 75 0.431 4.244 -2.702 74 H ASP 76 H ASP 76 1.536 7.920 -7.499 75 HA ASP 76 HA ASP 76 -0.734 8.923 -8.963 76 HB2 ASP 76 2HB ASP 76 1.538 9.667 -9.502 77 HB3 ASP 76 1HB ASP 76 1.965 8.044 -10.017 78 H ARG 77 H ARG 77 0.925 5.869 -8.857 79 HA ARG 77 HA ARG 77 -0.971 4.767 -10.819 80 HB2 ARG 77 2HB ARG 77 1.881 3.952 -10.208 81 HB3 ARG 77 1HB ARG 77 0.833 3.175 -11.394 82 HG2 ARG 77 2HG ARG 77 0.739 5.154 -12.728 83 HG3 ARG 77 1HG ARG 77 1.562 6.085 -11.491 84 HD2 ARG 77 2HD ARG 77 3.583 4.761 -11.848 85 HD3 ARG 77 1HD ARG 77 2.745 3.822 -13.089 86 HE ARG 77 HE ARG 77 2.511 6.532 -13.701 87 HH11 ARG 77 1HH1 ARG 77 5.104 4.143 -13.527 88 HH12 ARG 77 2HH1 ARG 77 6.006 4.833 -14.801 89 HH21 ARG 77 1HH2 ARG 77 3.739 7.462 -15.434 90 HH22 ARG 77 2HH2 ARG 77 5.201 6.721 -15.938 91 H GLU 78 H GLU 78 -0.544 2.086 -10.399 92 HA GLU 78 HA GLU 78 -2.046 1.416 -8.123 93 HB2 GLU 78 2HB GLU 78 -0.012 -0.319 -9.529 94 HB3 GLU 78 1HB GLU 78 -1.370 -0.869 -8.568 95 HG2 GLU 78 2HG GLU 78 -2.906 -0.031 -10.275 96 HG3 GLU 78 1HG GLU 78 -1.530 0.551 -11.208 97 H GLN 79 H GLN 79 -1.338 0.613 -6.085 98 HA GLN 79 HA GLN 79 1.058 1.555 -4.972 99 HB2 GLN 79 2HB GLN 79 -0.480 -0.915 -4.135 100 HB3 GLN 79 1HB GLN 79 0.777 -0.154 -3.188 101 HG2 GLN 79 2HG GLN 79 -0.638 1.864 -3.024 102 HG3 GLN 79 1HG GLN 79 -1.910 0.994 -3.884 103 HE21 GLN 79 1HE2 GLN 79 -0.137 1.248 -0.917 104 HE22 GLN 79 2HE2 GLN 79 -1.162 0.214 0.007 105 H SER 80 H SER 80 0.228 -1.649 -6.215 106 HA SER 80 HA SER 80 2.594 -2.982 -5.896 107 HB2 SER 80 2HB SER 80 0.742 -3.251 -8.250 108 HB3 SER 80 1HB SER 80 1.654 -4.520 -7.422 109 HG SER 80 HG SER 80 0.342 -4.252 -5.631 110 H ALA 81 H ALA 81 1.489 -1.075 -8.692 111 HA ALA 81 HA ALA 81 3.739 -1.515 -10.312 112 HB1 ALA 81 1HB ALA 81 2.946 0.361 -11.645 113 HB2 ALA 81 2HB ALA 81 1.833 0.825 -10.360 114 HB3 ALA 81 3HB ALA 81 1.606 -0.707 -11.216 115 H ALA 82 H ALA 82 2.914 1.045 -8.055 116 HA ALA 82 HA ALA 82 5.163 2.645 -8.586 117 HB1 ALA 82 1HB ALA 82 3.136 3.514 -7.522 118 HB2 ALA 82 2HB ALA 82 4.570 3.847 -6.554 119 HB3 ALA 82 3HB ALA 82 3.473 2.538 -6.094 120 H ILE 83 H ILE 83 4.578 0.031 -6.255 121 HA ILE 83 HA ILE 83 7.026 0.325 -4.880 122 HB ILE 83 HB ILE 83 5.426 -2.231 -5.294 123 HG12 ILE 83 2HG1 ILE 83 5.423 -0.296 -2.964 124 HG13 ILE 83 1HG1 ILE 83 4.162 -0.413 -4.184 125 HG21 ILE 83 1HG2 ILE 83 6.605 -3.039 -3.269 126 HG22 ILE 83 2HG2 ILE 83 7.577 -1.567 -3.267 127 HG23 ILE 83 3HG2 ILE 83 7.721 -2.714 -4.598 128 HD11 ILE 83 1HD1 ILE 83 3.516 -1.530 -2.142 129 HD12 ILE 83 2HD1 ILE 83 4.952 -2.554 -2.241 130 HD13 ILE 83 3HD1 ILE 83 3.679 -2.695 -3.459 131 H ARG 84 H ARG 84 6.090 -1.607 -7.680 132 HA ARG 84 HA ARG 84 8.551 -2.859 -8.097 133 HB2 ARG 84 2HB ARG 84 6.274 -2.210 -9.960 134 HB3 ARG 84 1HB ARG 84 7.710 -3.070 -10.503 135 HG2 ARG 84 2HG ARG 84 7.295 -4.903 -9.132 136 HG3 ARG 84 1HG ARG 84 6.178 -3.995 -8.119 137 HD2 ARG 84 2HD ARG 84 5.014 -5.604 -9.511 138 HD3 ARG 84 1HD ARG 84 4.560 -3.949 -9.908 139 HE ARG 84 HE ARG 84 6.372 -4.385 -11.754 140 HH11 ARG 84 1HH1 ARG 84 3.848 -6.632 -10.634 141 HH12 ARG 84 2HH1 ARG 84 3.532 -7.288 -12.159 142 HH21 ARG 84 1HH2 ARG 84 5.926 -5.294 -13.890 143 HH22 ARG 84 2HH2 ARG 84 4.783 -6.527 -14.072 144 H GLU 85 H GLU 85 7.286 0.198 -9.305 145 HA GLU 85 HA GLU 85 9.528 0.898 -10.866 146 HB2 GLU 85 2HB GLU 85 7.405 2.563 -9.556 147 HB3 GLU 85 1HB GLU 85 8.631 3.233 -10.631 148 HG2 GLU 85 2HG GLU 85 7.826 1.859 -12.445 149 HG3 GLU 85 1HG GLU 85 6.666 1.086 -11.366 150 H TRP 86 H TRP 86 8.722 1.560 -7.457 151 HA TRP 86 HA TRP 86 10.887 3.265 -6.940 152 HB2 TRP 86 2HB TRP 86 8.925 3.164 -5.507 153 HB3 TRP 86 1HB TRP 86 9.219 1.471 -5.172 154 HD1 TRP 86 HD TRP 86 10.388 4.971 -4.186 155 HE1 TRP 86 1HE TRP 86 11.789 4.788 -2.038 156 HE3 TRP 86 3HE TRP 86 10.685 -0.080 -3.901 157 HZ2 TRP 86 2HZ TRP 86 12.890 2.738 -0.425 158 HZ3 TRP 86 3HZ TRP 86 11.939 -1.107 -2.002 159 HH2 TRP 86 HH TRP 86 13.009 0.289 -0.317 160 H ALA 87 H ALA 87 10.367 -0.189 -6.616 161 HA ALA 87 HA ALA 87 12.786 -0.977 -5.506 162 HB1 ALA 87 1HB ALA 87 10.845 -2.440 -5.737 163 HB2 ALA 87 2HB ALA 87 12.266 -3.185 -6.484 164 HB3 ALA 87 3HB ALA 87 11.035 -2.426 -7.484 165 H ARG 88 H ARG 88 11.825 -0.793 -8.879 166 HA ARG 88 HA ARG 88 14.294 -1.536 -9.959 167 HB2 ARG 88 2HB ARG 88 11.886 -0.157 -11.070 168 HB3 ARG 88 1HB ARG 88 13.337 -0.303 -12.049 169 HG2 ARG 88 2HG ARG 88 11.998 -2.664 -10.757 170 HG3 ARG 88 1HG ARG 88 11.608 -2.102 -12.385 171 HD2 ARG 88 2HD ARG 88 13.901 -2.412 -13.081 172 HD3 ARG 88 1HD ARG 88 14.371 -2.877 -11.454 173 HE ARG 88 HE ARG 88 13.329 -4.919 -11.738 174 HH11 ARG 88 1HH1 ARG 88 12.671 -2.965 -14.614 175 HH12 ARG 88 2HH1 ARG 88 12.640 -4.277 -15.680 176 HH21 ARG 88 1HH2 ARG 88 13.349 -6.702 -13.201 177 HH22 ARG 88 2HH2 ARG 88 12.994 -6.481 -14.861 178 H ARG 89 H ARG 89 13.017 1.657 -9.199 179 HA ARG 89 HA ARG 89 15.219 3.063 -10.295 180 HB2 ARG 89 2HB ARG 89 13.097 3.912 -8.356 181 HB3 ARG 89 1HB ARG 89 14.349 4.994 -8.963 182 HG2 ARG 89 2HG ARG 89 13.599 4.351 -11.285 183 HG3 ARG 89 1HG ARG 89 12.206 3.592 -10.518 184 HD2 ARG 89 2HD ARG 89 13.039 6.418 -10.182 185 HD3 ARG 89 1HD ARG 89 11.825 5.890 -11.353 186 HE ARG 89 HE ARG 89 11.499 5.498 -8.439 187 HH11 ARG 89 1HH1 ARG 89 10.241 6.750 -11.522 188 HH12 ARG 89 2HH1 ARG 89 8.727 7.184 -10.909 189 HH21 ARG 89 1HH2 ARG 89 9.368 6.198 -7.558 190 HH22 ARG 89 2HH2 ARG 89 8.232 6.861 -8.631 191 H ASN 90 H ASN 90 14.637 1.604 -7.214 192 HA ASN 90 HA ASN 90 17.026 2.862 -6.130 193 HB2 ASN 90 2HB ASN 90 14.817 1.285 -4.914 194 HB3 ASN 90 1HB ASN 90 16.331 1.484 -4.019 195 HD21 ASN 90 1HD2 ASN 90 13.475 2.998 -5.203 196 HD22 ASN 90 2HD2 ASN 90 13.680 4.505 -4.371 197 H GLY 91 H GLY 91 16.249 0.042 -7.735 198 HA2 GLY 91 2HA GLY 91 17.979 -1.318 -8.609 199 HA3 GLY 91 1HA GLY 91 18.991 -0.842 -7.257 200 H HIS 92 H HIS 92 15.752 -1.873 -6.642 201 HA HIS 92 HA HIS 92 16.753 -4.158 -5.207 202 HB2 HIS 92 2HB HIS 92 14.005 -2.974 -5.526 203 HB3 HIS 92 1HB HIS 92 14.280 -4.496 -4.693 204 HD1 HIS 92 1HD HIS 92 15.185 -4.340 -2.293 205 HD2 HIS 92 2HD HIS 92 14.922 -0.693 -4.237 206 HE1 HIS 92 1HE HIS 92 15.489 -2.570 -0.517 207 H ASN 93 H ASN 93 16.279 -6.254 -5.707 208 HA ASN 93 HA ASN 93 15.804 -6.702 -8.498 209 HB2 ASN 93 2HB ASN 93 16.602 -8.586 -6.289 210 HB3 ASN 93 1HB ASN 93 16.227 -9.146 -7.917 211 HD21 ASN 93 1HD2 ASN 93 17.634 -8.675 -9.584 212 HD22 ASN 93 2HD2 ASN 93 19.226 -8.078 -9.311 213 H VAL 94 H VAL 94 13.762 -6.022 -8.656 214 HA VAL 94 HA VAL 94 11.779 -8.077 -8.049 215 HB VAL 94 HB VAL 94 11.274 -5.071 -8.069 216 HG11 VAL 94 1HG1 VAL 94 9.375 -6.332 -8.913 217 HG12 VAL 94 2HG1 VAL 94 9.001 -5.648 -7.332 218 HG13 VAL 94 3HG1 VAL 94 9.400 -7.361 -7.481 219 HG21 VAL 94 1HG2 VAL 94 11.268 -6.992 -5.744 220 HG22 VAL 94 2HG2 VAL 94 10.740 -5.312 -5.677 221 HG23 VAL 94 3HG2 VAL 94 12.431 -5.694 -6.028 222 H SER 95 H SER 95 11.419 -8.923 -9.956 223 HA SER 95 HA SER 95 11.850 -7.308 -12.307 224 HB2 SER 95 2HB SER 95 12.981 -9.509 -12.111 225 HB3 SER 95 1HB SER 95 11.409 -10.297 -12.039 226 HG SER 95 HG SER 95 12.820 -9.422 -14.193 227 H THR 96 H THR 96 10.214 -8.456 -14.127 228 HA THR 96 HA THR 96 7.729 -7.163 -13.446 229 HB THR 96 HB THR 96 7.395 -7.507 -15.959 230 HG1 THR 96 1HG THR 96 8.912 -8.595 -16.932 231 HG21 THR 96 1HG2 THR 96 9.761 -5.899 -14.979 232 HG22 THR 96 2HG2 THR 96 8.079 -5.389 -14.889 233 HG23 THR 96 3HG2 THR 96 8.850 -5.606 -16.466 234 H ARG 97 H ARG 97 8.426 -10.048 -12.582 235 HA ARG 97 HA ARG 97 6.678 -11.639 -14.176 236 HB2 ARG 97 2HB ARG 97 7.997 -12.284 -11.539 237 HB3 ARG 97 1HB ARG 97 6.866 -13.378 -12.311 238 HG2 ARG 97 2HG ARG 97 8.991 -14.171 -12.882 239 HG3 ARG 97 1HG ARG 97 8.414 -13.337 -14.316 240 HD2 ARG 97 2HD ARG 97 9.722 -11.371 -13.697 241 HD3 ARG 97 1HD ARG 97 10.301 -12.211 -12.263 242 HE ARG 97 HE ARG 97 10.849 -13.052 -15.018 243 HH11 ARG 97 1HH1 ARG 97 11.833 -12.907 -11.614 244 HH12 ARG 97 2HH1 ARG 97 13.469 -13.275 -11.919 245 HH21 ARG 97 1HH2 ARG 97 13.142 -13.609 -15.420 246 HH22 ARG 97 2HH2 ARG 97 14.211 -13.706 -14.102 247 H GLY 98 H GLY 98 6.404 -10.220 -10.952 248 HA2 GLY 98 2HA GLY 98 3.983 -9.212 -11.078 249 HA3 GLY 98 1HA GLY 98 3.597 -10.921 -10.983 250 H ARG 99 H ARG 99 5.609 -11.718 -9.150 251 HA ARG 99 HA ARG 99 4.280 -10.658 -6.836 252 HB2 ARG 99 2HB ARG 99 6.269 -12.894 -7.035 253 HB3 ARG 99 1HB ARG 99 5.516 -12.363 -5.539 254 HG2 ARG 99 2HG ARG 99 3.301 -12.810 -6.602 255 HG3 ARG 99 1HG ARG 99 4.173 -13.574 -7.931 256 HD2 ARG 99 2HD ARG 99 5.230 -15.086 -6.333 257 HD3 ARG 99 1HD ARG 99 4.308 -14.314 -5.040 258 HE ARG 99 HE ARG 99 3.168 -15.894 -7.249 259 HH11 ARG 99 1HH1 ARG 99 2.883 -14.616 -3.948 260 HH12 ARG 99 2HH1 ARG 99 1.435 -15.451 -3.618 261 HH21 ARG 99 1HH2 ARG 99 1.144 -16.980 -6.778 262 HH22 ARG 99 2HH2 ARG 99 0.432 -16.789 -5.227 263 H ILE 100 H ILE 100 4.884 -9.195 -5.659 264 HA ILE 100 HA ILE 100 7.601 -8.155 -5.783 265 HB ILE 100 HB ILE 100 5.230 -7.029 -4.265 266 HG12 ILE 100 2HG1 ILE 100 6.279 -6.205 -6.979 267 HG13 ILE 100 1HG1 ILE 100 4.809 -7.131 -6.721 268 HG21 ILE 100 1HG2 ILE 100 7.428 -6.258 -3.475 269 HG22 ILE 100 2HG2 ILE 100 6.551 -4.952 -4.276 270 HG23 ILE 100 3HG2 ILE 100 7.855 -5.781 -5.120 271 HD11 ILE 100 1HD1 ILE 100 5.360 -4.352 -5.756 272 HD12 ILE 100 2HD1 ILE 100 3.876 -5.256 -5.446 273 HD13 ILE 100 3HD1 ILE 100 4.303 -4.795 -7.098 274 HA PRO 101 HA PRO 101 8.399 -10.269 -1.901 275 HB2 PRO 101 2HB PRO 101 10.725 -8.483 -1.663 276 HB3 PRO 101 1HB PRO 101 10.696 -10.253 -1.815 277 HG2 PRO 101 2HG PRO 101 11.568 -8.668 -3.796 278 HG3 PRO 101 1HG PRO 101 10.760 -10.223 -4.083 279 HD2 PRO 101 2HD PRO 101 9.659 -7.465 -4.343 280 HD3 PRO 101 1HD PRO 101 9.360 -8.921 -5.321 281 H ALA 102 H ALA 102 7.637 -9.759 0.050 282 HA ALA 102 HA ALA 102 6.465 -7.264 0.580 283 HB1 ALA 102 1HB ALA 102 5.644 -9.366 1.540 284 HB2 ALA 102 2HB ALA 102 5.943 -8.143 2.778 285 HB3 ALA 102 3HB ALA 102 7.093 -9.457 2.544 286 H ASP 103 H ASP 103 9.600 -8.462 1.173 287 HA ASP 103 HA ASP 103 10.487 -6.734 3.213 288 HB2 ASP 103 2HB ASP 103 12.136 -7.693 0.870 289 HB3 ASP 103 1HB ASP 103 12.699 -7.312 2.495 290 H VAL 104 H VAL 104 10.242 -6.449 -0.287 291 HA VAL 104 HA VAL 104 11.490 -3.866 -0.391 292 HB VAL 104 HB VAL 104 9.964 -5.466 -2.493 293 HG11 VAL 104 1HG1 VAL 104 11.515 -2.899 -2.877 294 HG12 VAL 104 2HG1 VAL 104 9.761 -3.021 -2.903 295 HG13 VAL 104 3HG1 VAL 104 10.719 -3.842 -4.138 296 HG21 VAL 104 1HG2 VAL 104 12.150 -6.373 -1.855 297 HG22 VAL 104 2HG2 VAL 104 12.873 -4.793 -2.236 298 HG23 VAL 104 3HG2 VAL 104 12.141 -5.753 -3.511 299 H ILE 105 H ILE 105 8.270 -5.217 -0.387 300 HA ILE 105 HA ILE 105 6.801 -2.853 -0.806 301 HB ILE 105 HB ILE 105 6.018 -5.234 0.912 302 HG12 ILE 105 2HG1 ILE 105 5.406 -4.630 -1.995 303 HG13 ILE 105 1HG1 ILE 105 6.579 -5.808 -1.430 304 HG21 ILE 105 1HG2 ILE 105 4.279 -3.058 -0.283 305 HG22 ILE 105 2HG2 ILE 105 4.633 -3.288 1.417 306 HG23 ILE 105 3HG2 ILE 105 3.687 -4.499 0.547 307 HD11 ILE 105 1HD1 ILE 105 4.547 -6.879 -2.150 308 HD12 ILE 105 2HD1 ILE 105 3.594 -5.918 -1.021 309 HD13 ILE 105 3HD1 ILE 105 4.750 -7.107 -0.417 310 H ASP 106 H ASP 106 7.986 -4.315 2.191 311 HA ASP 106 HA ASP 106 6.876 -2.336 3.886 312 HB2 ASP 106 2HB ASP 106 7.479 -4.553 4.733 313 HB3 ASP 106 1HB ASP 106 9.170 -4.229 4.379 314 H ALA 107 H ALA 107 10.090 -2.846 2.513 315 HA ALA 107 HA ALA 107 11.365 -0.640 3.612 316 HB1 ALA 107 1HB ALA 107 11.757 -1.846 0.880 317 HB2 ALA 107 2HB ALA 107 12.499 -2.416 2.371 318 HB3 ALA 107 3HB ALA 107 12.926 -0.822 1.728 319 H TYR 108 H TYR 108 9.445 -0.929 0.662 320 HA TYR 108 HA TYR 108 9.609 1.637 -0.369 321 HB2 TYR 108 2HB TYR 108 8.582 -0.117 -1.645 322 HB3 TYR 108 1HB TYR 108 7.385 -0.406 -0.398 323 HD1 TYR 108 1HD TYR 108 5.394 0.981 -0.258 324 HD2 TYR 108 2HD TYR 108 8.373 1.787 -3.167 325 HE1 TYR 108 1HE TYR 108 3.818 2.432 -1.444 326 HE2 TYR 108 2HE TYR 108 6.817 3.240 -4.369 327 HH TYR 108 HH TYR 108 4.344 3.484 -4.573 328 H HIS 109 H HIS 109 7.113 0.327 1.792 329 HA HIS 109 HA HIS 109 5.850 2.818 2.067 330 HB2 HIS 109 2HB HIS 109 5.503 0.266 3.619 331 HB3 HIS 109 1HB HIS 109 4.603 1.729 4.005 332 HD1 HIS 109 1HD HIS 109 2.780 2.509 2.223 333 HD2 HIS 109 2HD HIS 109 4.682 -1.080 1.340 334 HE1 HIS 109 1HE HIS 109 1.459 1.460 0.390 335 H ALA 110 H ALA 110 8.453 1.393 3.771 336 HA ALA 110 HA ALA 110 8.314 3.275 5.946 337 HB1 ALA 110 1HB ALA 110 9.183 1.009 6.330 338 HB2 ALA 110 2HB ALA 110 10.382 2.239 6.727 339 HB3 ALA 110 3HB ALA 110 10.510 1.337 5.216 340 H ALA 111 H ALA 111 9.711 3.158 2.818 341 HA ALA 111 HA ALA 111 11.600 5.259 3.478 342 HB1 ALA 111 1HB ALA 111 11.181 3.922 0.823 343 HB2 ALA 111 2HB ALA 111 12.336 3.400 2.046 344 HB3 ALA 111 3HB ALA 111 12.521 4.972 1.271 345 H THR 112 H THR 112 8.787 4.888 1.300 346 HA THR 112 HA THR 112 9.151 7.685 0.680 347 HB THR 112 HB THR 112 8.941 6.031 -1.212 348 HG1 THR 112 1HG THR 112 6.883 7.483 -1.990 349 HG21 THR 112 1HG2 THR 112 7.173 4.580 -0.317 350 HG22 THR 112 2HG2 THR 112 6.727 5.237 -1.891 351 HG23 THR 112 3HG2 THR 112 6.023 5.917 -0.424 Start of MODEL 13 1 H MET 65 1HT MET 65 9.953 11.765 -22.066 2 HA MET 65 HA MET 65 7.509 11.729 -23.764 3 HB2 MET 65 2HB MET 65 9.718 9.664 -23.537 4 HB3 MET 65 1HB MET 65 8.206 9.447 -24.393 5 HG2 MET 65 2HG MET 65 10.325 11.472 -25.077 6 HG3 MET 65 1HG MET 65 10.019 9.954 -25.924 7 HE1 MET 65 1HE MET 65 8.779 12.700 -28.450 8 HE2 MET 65 2HE MET 65 9.875 11.340 -28.202 9 HE3 MET 65 3HE MET 65 10.132 12.851 -27.328 10 H SER 66 H SER 66 9.193 9.626 -21.449 11 HA SER 66 HA SER 66 6.779 9.562 -19.894 12 HB2 SER 66 2HB SER 66 8.047 7.174 -21.227 13 HB3 SER 66 1HB SER 66 6.751 7.062 -20.009 14 HG SER 66 HG SER 66 5.792 8.671 -21.721 15 H GLY 67 H GLY 67 7.280 9.046 -17.742 16 HA2 GLY 67 2HA GLY 67 9.484 7.742 -16.777 17 HA3 GLY 67 1HA GLY 67 9.983 9.419 -16.977 18 H SER 68 H SER 68 8.121 10.974 -16.169 19 HA SER 68 HA SER 68 7.238 9.925 -13.584 20 HB2 SER 68 2HB SER 68 8.237 12.727 -14.161 21 HB3 SER 68 1HB SER 68 7.626 12.149 -12.610 22 HG SER 68 HG SER 68 9.873 11.148 -14.009 23 H GLY 69 H GLY 69 5.168 9.948 -13.344 24 HA2 GLY 69 2HA GLY 69 3.495 12.102 -14.179 25 HA3 GLY 69 1HA GLY 69 3.237 10.615 -15.105 26 H ARG 70 H ARG 70 3.656 11.773 -11.837 27 HA ARG 70 HA ARG 70 2.801 11.192 -9.851 28 HB2 ARG 70 2HB ARG 70 0.716 9.790 -11.536 29 HB3 ARG 70 1HB ARG 70 0.703 9.635 -9.785 30 HG2 ARG 70 2HG ARG 70 -0.899 11.295 -10.422 31 HG3 ARG 70 1HG ARG 70 0.438 12.118 -9.638 32 HD2 ARG 70 2HD ARG 70 -0.216 13.414 -11.537 33 HD3 ARG 70 1HD ARG 70 1.323 12.643 -11.915 34 HE ARG 70 HE ARG 70 -0.843 11.056 -12.842 35 HH11 ARG 70 1HH1 ARG 70 0.991 13.973 -13.639 36 HH12 ARG 70 2HH1 ARG 70 0.554 13.942 -15.282 37 HH21 ARG 70 1HH2 ARG 70 -1.436 11.029 -15.043 38 HH22 ARG 70 2HH2 ARG 70 -0.873 12.233 -16.120 39 H GLY 71 H GLY 71 1.986 8.703 -8.753 40 HA2 GLY 71 2HA GLY 71 2.919 6.646 -8.209 41 HA3 GLY 71 1HA GLY 71 3.894 6.744 -9.674 42 H ARG 72 H ARG 72 3.710 9.260 -7.375 43 HA ARG 72 HA ARG 72 6.509 8.858 -6.515 44 HB2 ARG 72 2HB ARG 72 5.078 11.399 -7.313 45 HB3 ARG 72 1HB ARG 72 6.647 11.364 -6.535 46 HG2 ARG 72 2HG ARG 72 7.653 10.342 -8.442 47 HG3 ARG 72 1HG ARG 72 6.075 10.051 -9.180 48 HD2 ARG 72 2HD ARG 72 7.312 11.993 -10.142 49 HD3 ARG 72 1HD ARG 72 5.718 12.387 -9.503 50 HE ARG 72 HE ARG 72 7.709 12.807 -7.535 51 HH11 ARG 72 1HH1 ARG 72 6.476 14.268 -10.519 52 HH12 ARG 72 2HH1 ARG 72 6.861 15.861 -10.041 53 HH21 ARG 72 1HH2 ARG 72 8.189 14.944 -6.896 54 HH22 ARG 72 2HH2 ARG 72 7.836 16.272 -7.913 55 H GLY 73 H GLY 73 3.744 8.336 -5.400 56 HA2 GLY 73 2HA GLY 73 3.234 8.452 -3.020 57 HA3 GLY 73 1HA GLY 73 3.849 10.105 -3.038 58 H ALA 74 H ALA 74 1.954 8.854 -5.613 59 HA ALA 74 HA ALA 74 -0.542 9.871 -4.751 60 HB1 ALA 74 1HB ALA 74 -0.823 11.473 -6.531 61 HB2 ALA 74 2HB ALA 74 0.864 11.247 -7.028 62 HB3 ALA 74 3HB ALA 74 0.484 11.972 -5.449 63 H ILE 75 H ILE 75 -1.988 8.674 -5.667 64 HA ILE 75 HA ILE 75 -0.946 6.650 -7.426 65 HB ILE 75 HB ILE 75 -3.366 6.753 -5.704 66 HG12 ILE 75 2HG1 ILE 75 -0.844 5.170 -5.309 67 HG13 ILE 75 1HG1 ILE 75 -1.037 6.807 -4.700 68 HG21 ILE 75 1HG2 ILE 75 -3.682 5.189 -7.595 69 HG22 ILE 75 2HG2 ILE 75 -3.479 4.281 -6.096 70 HG23 ILE 75 3HG2 ILE 75 -2.135 4.429 -7.229 71 HD11 ILE 75 1HD1 ILE 75 -2.733 4.450 -3.987 72 HD12 ILE 75 2HD1 ILE 75 -2.889 6.120 -3.394 73 HD13 ILE 75 3HD1 ILE 75 -1.445 5.180 -3.014 74 H ASP 76 H ASP 76 -1.071 7.556 -9.194 75 HA ASP 76 HA ASP 76 -3.704 7.620 -10.569 76 HB2 ASP 76 2HB ASP 76 -2.660 9.856 -10.652 77 HB3 ASP 76 1HB ASP 76 -1.166 9.155 -11.237 78 H ARG 77 H ARG 77 -1.162 5.971 -9.824 79 HA ARG 77 HA ARG 77 -1.129 4.184 -12.069 80 HB2 ARG 77 2HB ARG 77 1.335 5.266 -10.624 81 HB3 ARG 77 1HB ARG 77 1.335 3.958 -11.804 82 HG2 ARG 77 2HG ARG 77 0.717 5.428 -13.552 83 HG3 ARG 77 1HG ARG 77 0.421 6.735 -12.410 84 HD2 ARG 77 2HD ARG 77 2.521 7.121 -13.543 85 HD3 ARG 77 1HD ARG 77 2.832 6.742 -11.859 86 HE ARG 77 HE ARG 77 3.528 4.562 -12.544 87 HH11 ARG 77 1HH1 ARG 77 3.123 6.854 -15.244 88 HH12 ARG 77 2HH1 ARG 77 4.389 6.202 -16.165 89 HH21 ARG 77 1HH2 ARG 77 5.302 3.710 -13.852 90 HH22 ARG 77 2HH2 ARG 77 5.609 4.367 -15.399 91 H GLU 78 H GLU 78 -0.679 2.122 -11.182 92 HA GLU 78 HA GLU 78 -2.004 1.828 -8.696 93 HB2 GLU 78 2HB GLU 78 -0.572 -0.270 -10.303 94 HB3 GLU 78 1HB GLU 78 -1.707 -0.567 -8.993 95 HG2 GLU 78 2HG GLU 78 -2.284 0.653 -11.675 96 HG3 GLU 78 1HG GLU 78 -2.843 -0.894 -11.044 97 H GLN 79 H GLN 79 -1.341 1.135 -6.742 98 HA GLN 79 HA GLN 79 1.070 1.913 -5.654 99 HB2 GLN 79 2HB GLN 79 -0.739 -0.309 -4.683 100 HB3 GLN 79 1HB GLN 79 0.531 0.446 -3.739 101 HG2 GLN 79 2HG GLN 79 -0.641 2.546 -3.760 102 HG3 GLN 79 1HG GLN 79 -1.883 1.881 -4.821 103 HE21 GLN 79 1HE2 GLN 79 -3.525 2.259 -3.353 104 HE22 GLN 79 2HE2 GLN 79 -3.710 1.343 -1.907 105 H SER 80 H SER 80 0.105 -1.365 -6.641 106 HA SER 80 HA SER 80 2.432 -2.718 -5.980 107 HB2 SER 80 2HB SER 80 0.355 -3.856 -6.612 108 HB3 SER 80 1HB SER 80 0.499 -3.240 -8.257 109 HG SER 80 HG SER 80 1.474 -5.047 -8.576 110 H ALA 81 H ALA 81 1.587 -1.154 -9.066 111 HA ALA 81 HA ALA 81 4.007 -1.785 -10.359 112 HB1 ALA 81 1HB ALA 81 2.096 0.476 -10.924 113 HB2 ALA 81 2HB ALA 81 1.985 -1.160 -11.580 114 HB3 ALA 81 3HB ALA 81 3.346 -0.127 -12.015 115 H ALA 82 H ALA 82 2.957 0.973 -8.435 116 HA ALA 82 HA ALA 82 5.207 2.602 -8.839 117 HB1 ALA 82 1HB ALA 82 3.101 3.425 -7.871 118 HB2 ALA 82 2HB ALA 82 4.490 3.804 -6.849 119 HB3 ALA 82 3HB ALA 82 3.412 2.476 -6.416 120 H ILE 83 H ILE 83 4.560 0.073 -6.459 121 HA ILE 83 HA ILE 83 6.955 0.414 -4.981 122 HB ILE 83 HB ILE 83 5.362 -2.148 -5.356 123 HG12 ILE 83 2HG1 ILE 83 5.196 -0.090 -3.144 124 HG13 ILE 83 1HG1 ILE 83 4.019 -0.281 -4.432 125 HG21 ILE 83 1HG2 ILE 83 7.604 -2.591 -4.478 126 HG22 ILE 83 2HG2 ILE 83 6.399 -2.853 -3.215 127 HG23 ILE 83 3HG2 ILE 83 7.364 -1.377 -3.221 128 HD11 ILE 83 1HD1 ILE 83 4.670 -2.310 -2.303 129 HD12 ILE 83 2HD1 ILE 83 3.497 -2.526 -3.601 130 HD13 ILE 83 3HD1 ILE 83 3.233 -1.287 -2.370 131 H ARG 84 H ARG 84 6.100 -1.615 -7.705 132 HA ARG 84 HA ARG 84 8.515 -3.001 -8.080 133 HB2 ARG 84 2HB ARG 84 6.265 -2.206 -9.878 134 HB3 ARG 84 1HB ARG 84 7.693 -2.977 -10.546 135 HG2 ARG 84 2HG ARG 84 7.250 -4.980 -9.530 136 HG3 ARG 84 1HG ARG 84 6.323 -4.230 -8.230 137 HD2 ARG 84 2HD ARG 84 5.055 -5.574 -9.992 138 HD3 ARG 84 1HD ARG 84 4.432 -3.987 -9.553 139 HE ARG 84 HE ARG 84 5.906 -3.366 -11.668 140 HH11 ARG 84 1HH1 ARG 84 3.762 -6.178 -11.342 141 HH12 ARG 84 2HH1 ARG 84 3.199 -6.073 -12.949 142 HH21 ARG 84 1HH2 ARG 84 5.042 -3.212 -13.859 143 HH22 ARG 84 2HH2 ARG 84 3.911 -4.385 -14.368 144 H GLU 85 H GLU 85 7.407 0.056 -9.410 145 HA GLU 85 HA GLU 85 9.739 0.555 -10.911 146 HB2 GLU 85 2HB GLU 85 7.566 2.352 -9.915 147 HB3 GLU 85 1HB GLU 85 8.854 2.902 -10.989 148 HG2 GLU 85 2HG GLU 85 8.149 1.244 -12.650 149 HG3 GLU 85 1HG GLU 85 6.854 0.734 -11.567 150 H TRP 86 H TRP 86 8.771 1.420 -7.620 151 HA TRP 86 HA TRP 86 10.910 3.118 -7.028 152 HB2 TRP 86 2HB TRP 86 8.904 2.995 -5.653 153 HB3 TRP 86 1HB TRP 86 9.181 1.295 -5.337 154 HD1 TRP 86 HD TRP 86 10.225 4.763 -4.187 155 HE1 TRP 86 1HE TRP 86 11.597 4.545 -2.038 156 HE3 TRP 86 3HE TRP 86 10.710 -0.274 -4.103 157 HZ2 TRP 86 2HZ TRP 86 12.738 2.475 -0.480 158 HZ3 TRP 86 3HZ TRP 86 11.969 -1.329 -2.228 159 HH2 TRP 86 HH TRP 86 12.948 0.032 -0.469 160 H ALA 87 H ALA 87 10.393 -0.340 -6.798 161 HA ALA 87 HA ALA 87 12.770 -1.127 -5.628 162 HB1 ALA 87 1HB ALA 87 11.089 -2.576 -7.662 163 HB2 ALA 87 2HB ALA 87 10.856 -2.602 -5.916 164 HB3 ALA 87 3HB ALA 87 12.295 -3.330 -6.627 165 H ARG 88 H ARG 88 11.958 -0.745 -9.065 166 HA ARG 88 HA ARG 88 14.518 -1.490 -10.018 167 HB2 ARG 88 2HB ARG 88 12.508 0.320 -11.344 168 HB3 ARG 88 1HB ARG 88 13.942 -0.327 -12.115 169 HG2 ARG 88 2HG ARG 88 12.938 -2.635 -11.506 170 HG3 ARG 88 1HG ARG 88 11.428 -1.731 -11.314 171 HD2 ARG 88 2HD ARG 88 11.800 -0.766 -13.568 172 HD3 ARG 88 1HD ARG 88 13.201 -1.816 -13.719 173 HE ARG 88 HE ARG 88 10.395 -2.583 -13.736 174 HH11 ARG 88 1HH1 ARG 88 13.748 -3.681 -13.835 175 HH12 ARG 88 2HH1 ARG 88 13.480 -5.023 -14.829 176 HH21 ARG 88 1HH2 ARG 88 9.980 -4.501 -15.199 177 HH22 ARG 88 2HH2 ARG 88 11.272 -5.483 -15.645 178 H ARG 89 H ARG 89 13.154 1.661 -9.200 179 HA ARG 89 HA ARG 89 15.275 3.320 -10.006 180 HB2 ARG 89 2HB ARG 89 13.255 3.651 -7.785 181 HB3 ARG 89 1HB ARG 89 14.394 4.902 -8.228 182 HG2 ARG 89 2HG ARG 89 12.324 3.746 -10.094 183 HG3 ARG 89 1HG ARG 89 12.098 5.208 -9.141 184 HD2 ARG 89 2HD ARG 89 14.133 6.134 -10.253 185 HD3 ARG 89 1HD ARG 89 14.123 4.735 -11.325 186 HE ARG 89 HE ARG 89 11.694 5.597 -11.732 187 HH11 ARG 89 1HH1 ARG 89 14.611 7.603 -11.396 188 HH12 ARG 89 2HH1 ARG 89 14.082 8.832 -12.426 189 HH21 ARG 89 1HH2 ARG 89 10.933 7.343 -13.118 190 HH22 ARG 89 2HH2 ARG 89 11.949 8.686 -13.422 191 H ASN 90 H ASN 90 14.733 1.535 -7.063 192 HA ASN 90 HA ASN 90 17.062 2.691 -5.786 193 HB2 ASN 90 2HB ASN 90 14.846 0.941 -4.888 194 HB3 ASN 90 1HB ASN 90 16.295 1.077 -3.875 195 HD21 ASN 90 1HD2 ASN 90 13.504 2.683 -5.175 196 HD22 ASN 90 2HD2 ASN 90 13.546 4.075 -4.182 197 H GLY 91 H GLY 91 16.299 -0.180 -7.500 198 HA2 GLY 91 2HA GLY 91 18.073 -1.451 -8.469 199 HA3 GLY 91 1HA GLY 91 19.086 -1.033 -7.099 200 H HIS 92 H HIS 92 15.789 -2.243 -6.895 201 HA HIS 92 HA HIS 92 16.780 -4.530 -5.401 202 HB2 HIS 92 2HB HIS 92 14.034 -3.336 -5.714 203 HB3 HIS 92 1HB HIS 92 14.327 -4.852 -4.877 204 HD1 HIS 92 1HD HIS 92 15.155 -4.643 -2.419 205 HD2 HIS 92 2HD HIS 92 14.942 -1.043 -4.460 206 HE1 HIS 92 1HE HIS 92 15.463 -2.856 -0.693 207 H ASN 93 H ASN 93 15.673 -6.569 -5.760 208 HA ASN 93 HA ASN 93 15.391 -7.141 -8.621 209 HB2 ASN 93 2HB ASN 93 15.734 -8.995 -6.234 210 HB3 ASN 93 1HB ASN 93 15.549 -9.533 -7.894 211 HD21 ASN 93 1HD2 ASN 93 17.649 -8.037 -5.592 212 HD22 ASN 93 2HD2 ASN 93 19.098 -8.122 -6.509 213 H VAL 94 H VAL 94 13.307 -6.662 -9.113 214 HA VAL 94 HA VAL 94 11.250 -8.309 -7.850 215 HB VAL 94 HB VAL 94 10.863 -5.315 -8.307 216 HG11 VAL 94 1HG1 VAL 94 8.617 -5.642 -7.370 217 HG12 VAL 94 2HG1 VAL 94 8.912 -7.378 -7.282 218 HG13 VAL 94 3HG1 VAL 94 8.848 -6.574 -8.849 219 HG21 VAL 94 1HG2 VAL 94 10.470 -5.186 -5.883 220 HG22 VAL 94 2HG2 VAL 94 12.104 -5.743 -6.258 221 HG23 VAL 94 3HG2 VAL 94 10.877 -6.897 -5.738 222 H SER 95 H SER 95 11.953 -5.902 -10.344 223 HA SER 95 HA SER 95 11.499 -5.728 -12.513 224 HB2 SER 95 2HB SER 95 12.607 -8.013 -12.537 225 HB3 SER 95 1HB SER 95 11.001 -8.715 -12.392 226 HG SER 95 HG SER 95 11.426 -8.774 -14.484 227 H THR 96 H THR 96 9.568 -7.050 -14.088 228 HA THR 96 HA THR 96 7.096 -6.106 -12.840 229 HB THR 96 HB THR 96 6.406 -6.046 -15.343 230 HG1 THR 96 1HG THR 96 7.945 -6.867 -16.515 231 HG21 THR 96 1HG2 THR 96 7.460 -3.829 -15.609 232 HG22 THR 96 2HG2 THR 96 8.509 -4.191 -14.227 233 HG23 THR 96 3HG2 THR 96 6.764 -4.066 -14.006 234 H ARG 97 H ARG 97 8.478 -8.826 -12.749 235 HA ARG 97 HA ARG 97 6.250 -10.407 -13.803 236 HB2 ARG 97 2HB ARG 97 9.174 -11.182 -13.791 237 HB3 ARG 97 1HB ARG 97 7.858 -12.239 -14.272 238 HG2 ARG 97 2HG ARG 97 7.357 -10.821 -16.157 239 HG3 ARG 97 1HG ARG 97 8.584 -9.658 -15.645 240 HD2 ARG 97 2HD ARG 97 9.396 -11.046 -17.455 241 HD3 ARG 97 1HD ARG 97 10.313 -11.367 -15.992 242 HE ARG 97 HE ARG 97 8.122 -13.077 -16.927 243 HH11 ARG 97 1HH1 ARG 97 11.359 -12.749 -15.513 244 HH12 ARG 97 2HH1 ARG 97 11.733 -14.406 -15.626 245 HH21 ARG 97 1HH2 ARG 97 8.644 -15.362 -17.093 246 HH22 ARG 97 2HH2 ARG 97 10.134 -15.949 -16.554 247 H GLY 98 H GLY 98 5.196 -11.188 -12.039 248 HA2 GLY 98 2HA GLY 98 5.271 -12.906 -10.329 249 HA3 GLY 98 1HA GLY 98 6.838 -12.268 -9.857 250 H ARG 99 H ARG 99 5.458 -12.411 -7.787 251 HA ARG 99 HA ARG 99 3.993 -9.919 -7.444 252 HB2 ARG 99 2HB ARG 99 2.792 -11.919 -6.704 253 HB3 ARG 99 1HB ARG 99 4.148 -12.392 -5.695 254 HG2 ARG 99 2HG ARG 99 3.758 -10.621 -4.182 255 HG3 ARG 99 1HG ARG 99 2.616 -9.846 -5.282 256 HD2 ARG 99 2HD ARG 99 2.196 -12.551 -4.019 257 HD3 ARG 99 1HD ARG 99 1.542 -11.044 -3.376 258 HE ARG 99 HE ARG 99 0.914 -11.885 -6.116 259 HH11 ARG 99 1HH1 ARG 99 -0.249 -11.186 -2.830 260 HH12 ARG 99 2HH1 ARG 99 -1.877 -11.089 -3.278 261 HH21 ARG 99 1HH2 ARG 99 -1.301 -11.785 -6.715 262 HH22 ARG 99 2HH2 ARG 99 -2.508 -11.436 -5.543 263 H ILE 100 H ILE 100 4.585 -8.492 -5.804 264 HA ILE 100 HA ILE 100 7.388 -8.105 -5.637 265 HB ILE 100 HB ILE 100 5.215 -6.677 -4.105 266 HG12 ILE 100 2HG1 ILE 100 6.332 -6.025 -6.830 267 HG13 ILE 100 1HG1 ILE 100 4.756 -6.757 -6.551 268 HG21 ILE 100 1HG2 ILE 100 7.475 -6.203 -3.328 269 HG22 ILE 100 2HG2 ILE 100 6.788 -4.799 -4.147 270 HG23 ILE 100 3HG2 ILE 100 7.976 -5.807 -4.979 271 HD11 ILE 100 1HD1 ILE 100 4.550 -4.388 -6.947 272 HD12 ILE 100 2HD1 ILE 100 5.671 -4.077 -5.618 273 HD13 ILE 100 3HD1 ILE 100 4.087 -4.780 -5.286 274 HA PRO 101 HA PRO 101 8.124 -10.372 -1.828 275 HB2 PRO 101 2HB PRO 101 10.558 -8.700 -1.676 276 HB3 PRO 101 1HB PRO 101 10.425 -10.469 -1.751 277 HG2 PRO 101 2HG PRO 101 11.323 -9.034 -3.807 278 HG3 PRO 101 1HG PRO 101 10.389 -10.532 -4.020 279 HD2 PRO 101 2HD PRO 101 9.517 -7.711 -4.371 280 HD3 PRO 101 1HD PRO 101 9.038 -9.178 -5.253 281 H ALA 102 H ALA 102 7.544 -9.871 0.179 282 HA ALA 102 HA ALA 102 6.473 -7.375 0.842 283 HB1 ALA 102 1HB ALA 102 7.211 -9.622 2.696 284 HB2 ALA 102 2HB ALA 102 5.685 -9.469 1.823 285 HB3 ALA 102 3HB ALA 102 6.113 -8.294 3.069 286 H ASP 103 H ASP 103 9.658 -8.587 1.218 287 HA ASP 103 HA ASP 103 10.634 -6.817 3.195 288 HB2 ASP 103 2HB ASP 103 12.137 -7.977 0.826 289 HB3 ASP 103 1HB ASP 103 12.868 -7.239 2.245 290 H VAL 104 H VAL 104 10.294 -6.577 -0.307 291 HA VAL 104 HA VAL 104 11.523 -4.005 -0.495 292 HB VAL 104 HB VAL 104 9.797 -5.560 -2.471 293 HG11 VAL 104 1HG1 VAL 104 10.511 -3.975 -4.172 294 HG12 VAL 104 2HG1 VAL 104 11.458 -3.096 -2.989 295 HG13 VAL 104 3HG1 VAL 104 9.692 -3.099 -2.873 296 HG21 VAL 104 1HG2 VAL 104 11.887 -5.968 -3.635 297 HG22 VAL 104 2HG2 VAL 104 11.991 -6.567 -1.971 298 HG23 VAL 104 3HG2 VAL 104 12.752 -5.034 -2.425 299 H ILE 105 H ILE 105 8.288 -5.303 -0.314 300 HA ILE 105 HA ILE 105 6.856 -2.916 -0.655 301 HB ILE 105 HB ILE 105 6.092 -5.326 1.021 302 HG12 ILE 105 2HG1 ILE 105 5.417 -4.575 -1.827 303 HG13 ILE 105 1HG1 ILE 105 6.554 -5.818 -1.333 304 HG21 ILE 105 1HG2 ILE 105 4.350 -3.093 -0.042 305 HG22 ILE 105 2HG2 ILE 105 4.744 -3.379 1.650 306 HG23 ILE 105 3HG2 ILE 105 3.766 -4.547 0.765 307 HD11 ILE 105 1HD1 ILE 105 4.473 -6.756 -2.049 308 HD12 ILE 105 2HD1 ILE 105 3.590 -5.822 -0.835 309 HD13 ILE 105 3HD1 ILE 105 4.722 -7.085 -0.338 310 H ASP 106 H ASP 106 8.132 -4.367 2.339 311 HA ASP 106 HA ASP 106 7.111 -2.314 4.011 312 HB2 ASP 106 2HB ASP 106 7.756 -4.433 5.017 313 HB3 ASP 106 1HB ASP 106 9.421 -4.211 4.485 314 H ALA 107 H ALA 107 10.208 -2.839 2.445 315 HA ALA 107 HA ALA 107 11.551 -0.597 3.425 316 HB1 ALA 107 1HB ALA 107 12.626 -2.419 2.202 317 HB2 ALA 107 2HB ALA 107 13.014 -0.856 1.470 318 HB3 ALA 107 3HB ALA 107 11.801 -1.916 0.733 319 H TYR 108 H TYR 108 9.459 -0.970 0.616 320 HA TYR 108 HA TYR 108 9.580 1.583 -0.475 321 HB2 TYR 108 2HB TYR 108 8.541 -0.229 -1.674 322 HB3 TYR 108 1HB TYR 108 7.339 -0.447 -0.410 323 HD1 TYR 108 1HD TYR 108 8.411 1.712 -3.199 324 HD2 TYR 108 2HD TYR 108 5.351 0.919 -0.357 325 HE1 TYR 108 1HE TYR 108 6.916 3.178 -4.425 326 HE2 TYR 108 2HE TYR 108 3.820 2.403 -1.585 327 HH TYR 108 HH TYR 108 3.895 4.209 -3.130 328 H HIS 109 H HIS 109 7.122 0.272 1.742 329 HA HIS 109 HA HIS 109 5.859 2.772 2.087 330 HB2 HIS 109 2HB HIS 109 5.626 0.206 3.665 331 HB3 HIS 109 1HB HIS 109 4.690 1.642 4.051 332 HD1 HIS 109 1HD HIS 109 2.742 2.259 2.402 333 HD2 HIS 109 2HD HIS 109 4.816 -1.193 1.398 334 HE1 HIS 109 1HE HIS 109 1.354 1.099 0.659 335 H ALA 110 H ALA 110 8.615 1.441 3.553 336 HA ALA 110 HA ALA 110 8.583 3.195 5.835 337 HB1 ALA 110 1HB ALA 110 10.829 1.537 4.692 338 HB2 ALA 110 2HB ALA 110 9.707 1.022 5.950 339 HB3 ALA 110 3HB ALA 110 10.840 2.337 6.262 340 H ALA 111 H ALA 111 9.945 3.182 2.610 341 HA ALA 111 HA ALA 111 11.606 5.486 3.141 342 HB1 ALA 111 1HB ALA 111 12.392 3.703 1.666 343 HB2 ALA 111 2HB ALA 111 12.356 5.269 0.852 344 HB3 ALA 111 3HB ALA 111 11.094 4.077 0.532 345 H THR 112 H THR 112 8.513 4.886 1.540 346 HA THR 112 HA THR 112 8.486 7.731 1.016 347 HB THR 112 HB THR 112 8.484 6.420 -1.082 348 HG1 THR 112 1HG THR 112 7.505 8.319 -1.308 349 HG21 THR 112 1HG2 THR 112 7.309 4.404 -0.366 350 HG22 THR 112 2HG2 THR 112 6.542 5.097 -1.790 351 HG23 THR 112 3HG2 THR 112 5.809 5.320 -0.200 Start of MODEL 14 1 H MET 65 1HT MET 65 18.254 22.973 -12.389 2 HA MET 65 HA MET 65 17.967 23.692 -10.105 3 HB2 MET 65 2HB MET 65 19.083 25.212 -11.756 4 HB3 MET 65 1HB MET 65 17.528 25.949 -12.096 5 HG2 MET 65 2HG MET 65 17.394 26.707 -9.762 6 HG3 MET 65 1HG MET 65 18.976 25.995 -9.460 7 HE1 MET 65 1HE MET 65 18.340 28.975 -8.745 8 HE2 MET 65 2HE MET 65 19.780 29.802 -9.343 9 HE3 MET 65 3HE MET 65 19.930 28.249 -8.519 10 H SER 66 H SER 66 16.621 24.445 -8.514 11 HA SER 66 HA SER 66 14.746 24.810 -7.408 12 HB2 SER 66 2HB SER 66 13.627 25.912 -10.005 13 HB3 SER 66 1HB SER 66 12.904 26.126 -8.405 14 HG SER 66 HG SER 66 15.367 26.852 -8.119 15 H GLY 67 H GLY 67 14.418 22.838 -6.845 16 HA2 GLY 67 2HA GLY 67 13.147 20.929 -8.592 17 HA3 GLY 67 1HA GLY 67 13.725 20.648 -6.954 18 H SER 68 H SER 68 11.292 22.585 -8.593 19 HA SER 68 HA SER 68 9.439 22.647 -6.483 20 HB2 SER 68 2HB SER 68 8.904 22.852 -9.448 21 HB3 SER 68 1HB SER 68 7.945 23.541 -8.141 22 HG SER 68 HG SER 68 9.385 25.093 -7.850 23 H GLY 69 H GLY 69 8.200 21.008 -5.775 24 HA2 GLY 69 2HA GLY 69 7.950 18.616 -7.419 25 HA3 GLY 69 1HA GLY 69 7.606 18.734 -5.697 26 H ARG 70 H ARG 70 5.739 19.722 -5.006 27 HA ARG 70 HA ARG 70 3.540 19.903 -4.920 28 HB2 ARG 70 2HB ARG 70 3.908 21.365 -7.495 29 HB3 ARG 70 1HB ARG 70 2.432 21.362 -6.538 30 HG2 ARG 70 2HG ARG 70 3.877 22.197 -4.610 31 HG3 ARG 70 1HG ARG 70 5.103 22.532 -5.836 32 HD2 ARG 70 2HD ARG 70 3.436 23.846 -7.072 33 HD3 ARG 70 1HD ARG 70 2.310 23.510 -5.753 34 HE ARG 70 HE ARG 70 4.726 24.738 -4.840 35 HH11 ARG 70 1HH1 ARG 70 1.538 25.417 -6.167 36 HH12 ARG 70 2HH1 ARG 70 1.492 27.037 -5.611 37 HH21 ARG 70 1HH2 ARG 70 4.664 26.960 -4.074 38 HH22 ARG 70 2HH2 ARG 70 3.312 27.935 -4.408 39 H GLY 71 H GLY 71 3.087 17.769 -4.976 40 HA2 GLY 71 2HA GLY 71 1.485 16.993 -7.220 41 HA3 GLY 71 1HA GLY 71 2.910 15.993 -6.937 42 H ARG 72 H ARG 72 1.517 14.241 -6.467 43 HA ARG 72 HA ARG 72 -0.193 14.505 -4.154 44 HB2 ARG 72 2HB ARG 72 0.327 12.125 -5.927 45 HB3 ARG 72 1HB ARG 72 -0.852 12.190 -4.631 46 HG2 ARG 72 2HG ARG 72 -1.941 14.082 -5.887 47 HG3 ARG 72 1HG ARG 72 -0.875 13.685 -7.236 48 HD2 ARG 72 2HD ARG 72 -3.031 12.584 -7.516 49 HD3 ARG 72 1HD ARG 72 -1.764 11.385 -7.237 50 HE ARG 72 HE ARG 72 -2.629 11.766 -4.766 51 HH11 ARG 72 1HH1 ARG 72 -4.484 11.135 -7.725 52 HH12 ARG 72 2HH1 ARG 72 -5.823 10.490 -6.890 53 HH21 ARG 72 1HH2 ARG 72 -4.422 10.842 -3.658 54 HH22 ARG 72 2HH2 ARG 72 -5.787 10.288 -4.520 55 H GLY 73 H GLY 73 0.687 14.304 -2.254 56 HA2 GLY 73 2HA GLY 73 3.082 12.740 -1.796 57 HA3 GLY 73 1HA GLY 73 2.155 13.615 -0.574 58 H ALA 74 H ALA 74 1.717 10.968 -2.816 59 HA ALA 74 HA ALA 74 0.794 9.143 -0.798 60 HB1 ALA 74 1HB ALA 74 -1.249 10.464 -1.276 61 HB2 ALA 74 2HB ALA 74 -1.392 8.793 -1.820 62 HB3 ALA 74 3HB ALA 74 -1.075 10.074 -2.986 63 H ILE 75 H ILE 75 -0.273 7.299 -2.354 64 HA ILE 75 HA ILE 75 1.952 6.580 -4.106 65 HB ILE 75 HB ILE 75 -0.241 4.860 -2.890 66 HG12 ILE 75 2HG1 ILE 75 2.605 5.158 -1.946 67 HG13 ILE 75 1HG1 ILE 75 1.265 6.071 -1.270 68 HG21 ILE 75 1HG2 ILE 75 2.424 4.123 -4.126 69 HG22 ILE 75 2HG2 ILE 75 0.851 3.898 -4.885 70 HG23 ILE 75 3HG2 ILE 75 1.265 2.992 -3.425 71 HD11 ILE 75 1HD1 ILE 75 1.802 4.186 0.107 72 HD12 ILE 75 2HD1 ILE 75 1.589 3.092 -1.262 73 HD13 ILE 75 3HD1 ILE 75 0.204 3.978 -0.607 74 H ASP 76 H ASP 76 1.447 5.807 -6.185 75 HA ASP 76 HA ASP 76 -0.677 6.982 -7.568 76 HB2 ASP 76 2HB ASP 76 1.381 6.271 -8.712 77 HB3 ASP 76 1HB ASP 76 1.021 4.590 -8.348 78 H ARG 77 H ARG 77 -2.396 5.864 -8.739 79 HA ARG 77 HA ARG 77 -4.111 4.381 -7.100 80 HB2 ARG 77 2HB ARG 77 -4.109 4.689 -10.107 81 HB3 ARG 77 1HB ARG 77 -5.453 4.043 -9.164 82 HG2 ARG 77 2HG ARG 77 -5.599 6.120 -7.944 83 HG3 ARG 77 1HG ARG 77 -4.278 6.790 -8.883 84 HD2 ARG 77 2HD ARG 77 -6.453 7.570 -9.709 85 HD3 ARG 77 1HD ARG 77 -5.580 6.642 -10.913 86 HE ARG 77 HE ARG 77 -7.042 4.738 -10.254 87 HH11 ARG 77 1HH1 ARG 77 -8.216 8.013 -9.596 88 HH12 ARG 77 2HH1 ARG 77 -9.835 7.642 -9.958 89 HH21 ARG 77 1HH2 ARG 77 -9.235 4.237 -10.679 90 HH22 ARG 77 2HH2 ARG 77 -10.457 5.422 -10.557 91 H GLU 78 H GLU 78 -1.815 3.417 -9.553 92 HA GLU 78 HA GLU 78 -2.302 0.652 -8.915 93 HB2 GLU 78 2HB GLU 78 -0.647 2.014 -11.021 94 HB3 GLU 78 1HB GLU 78 -0.328 0.340 -10.580 95 HG2 GLU 78 2HG GLU 78 -3.000 1.353 -11.493 96 HG3 GLU 78 1HG GLU 78 -1.797 0.611 -12.550 97 H GLN 79 H GLN 79 -1.745 0.827 -6.830 98 HA GLN 79 HA GLN 79 0.586 1.829 -5.704 99 HB2 GLN 79 2HB GLN 79 -1.231 -0.381 -4.803 100 HB3 GLN 79 1HB GLN 79 0.058 0.289 -3.815 101 HG2 GLN 79 2HG GLN 79 -0.987 2.475 -3.914 102 HG3 GLN 79 1HG GLN 79 -2.264 1.814 -4.939 103 HE21 GLN 79 1HE2 GLN 79 -0.856 1.788 -1.792 104 HE22 GLN 79 2HE2 GLN 79 -2.227 1.163 -0.961 105 H SER 80 H SER 80 -0.154 -1.451 -6.790 106 HA SER 80 HA SER 80 2.235 -2.636 -6.004 107 HB2 SER 80 2HB SER 80 0.515 -3.337 -8.384 108 HB3 SER 80 1HB SER 80 1.580 -4.425 -7.493 109 HG SER 80 HG SER 80 -0.844 -4.283 -7.021 110 H ALA 81 H ALA 81 1.314 -0.913 -8.931 111 HA ALA 81 HA ALA 81 3.658 -1.460 -10.414 112 HB1 ALA 81 1HB ALA 81 1.745 0.845 -10.682 113 HB2 ALA 81 2HB ALA 81 1.568 -0.729 -11.461 114 HB3 ALA 81 3HB ALA 81 2.923 0.324 -11.884 115 H ALA 82 H ALA 82 2.668 1.142 -8.294 116 HA ALA 82 HA ALA 82 4.847 2.849 -8.675 117 HB1 ALA 82 1HB ALA 82 3.123 2.500 -6.222 118 HB2 ALA 82 2HB ALA 82 2.744 3.517 -7.611 119 HB3 ALA 82 3HB ALA 82 4.124 3.906 -6.589 120 H ILE 83 H ILE 83 4.309 0.222 -6.377 121 HA ILE 83 HA ILE 83 6.733 0.517 -4.968 122 HB ILE 83 HB ILE 83 5.126 -2.034 -5.363 123 HG12 ILE 83 2HG1 ILE 83 5.043 -0.032 -3.093 124 HG13 ILE 83 1HG1 ILE 83 3.828 -0.161 -4.357 125 HG21 ILE 83 1HG2 ILE 83 7.191 -1.307 -3.276 126 HG22 ILE 83 2HG2 ILE 83 7.400 -2.489 -4.566 127 HG23 ILE 83 3HG2 ILE 83 6.228 -2.784 -3.278 128 HD11 ILE 83 1HD1 ILE 83 4.515 -2.283 -2.335 129 HD12 ILE 83 2HD1 ILE 83 3.286 -2.423 -3.593 130 HD13 ILE 83 3HD1 ILE 83 3.096 -1.236 -2.300 131 H ARG 84 H ARG 84 5.873 -1.502 -7.757 132 HA ARG 84 HA ARG 84 8.322 -2.802 -8.125 133 HB2 ARG 84 2HB ARG 84 6.252 -1.951 -10.145 134 HB3 ARG 84 1HB ARG 84 7.575 -3.054 -10.512 135 HG2 ARG 84 2HG ARG 84 6.719 -4.724 -9.144 136 HG3 ARG 84 1HG ARG 84 5.710 -3.588 -8.249 137 HD2 ARG 84 2HD ARG 84 4.177 -4.703 -9.536 138 HD3 ARG 84 1HD ARG 84 4.504 -3.260 -10.482 139 HE ARG 84 HE ARG 84 5.724 -5.854 -11.035 140 HH11 ARG 84 1HH1 ARG 84 4.499 -2.831 -12.348 141 HH12 ARG 84 2HH1 ARG 84 3.920 -3.490 -13.805 142 HH21 ARG 84 1HH2 ARG 84 4.892 -6.836 -13.169 143 HH22 ARG 84 2HH2 ARG 84 4.191 -5.782 -14.281 144 H GLU 85 H GLU 85 7.155 0.279 -9.400 145 HA GLU 85 HA GLU 85 9.425 0.952 -10.888 146 HB2 GLU 85 2HB GLU 85 7.218 2.577 -9.691 147 HB3 GLU 85 1HB GLU 85 8.555 3.333 -10.541 148 HG2 GLU 85 2HG GLU 85 6.703 1.263 -11.687 149 HG3 GLU 85 1HG GLU 85 6.623 2.999 -11.992 150 H TRP 86 H TRP 86 8.615 1.595 -7.494 151 HA TRP 86 HA TRP 86 10.803 3.280 -6.952 152 HB2 TRP 86 2HB TRP 86 8.851 3.240 -5.545 153 HB3 TRP 86 1HB TRP 86 9.051 1.525 -5.227 154 HD1 TRP 86 HD TRP 86 10.195 4.948 -4.057 155 HE1 TRP 86 1HE TRP 86 11.620 4.690 -1.951 156 HE3 TRP 86 3HE TRP 86 10.673 -0.123 -4.053 157 HZ2 TRP 86 2HZ TRP 86 12.794 2.596 -0.454 158 HZ3 TRP 86 3HZ TRP 86 11.972 -1.186 -2.226 159 HH2 TRP 86 HH TRP 86 12.999 0.156 -0.477 160 H ALA 87 H ALA 87 10.203 -0.159 -6.706 161 HA ALA 87 HA ALA 87 12.541 -1.012 -5.490 162 HB1 ALA 87 1HB ALA 87 10.887 -2.425 -7.569 163 HB2 ALA 87 2HB ALA 87 10.572 -2.414 -5.837 164 HB3 ALA 87 3HB ALA 87 12.026 -3.189 -6.465 165 H ARG 88 H ARG 88 11.787 -0.571 -8.889 166 HA ARG 88 HA ARG 88 14.357 -1.387 -9.773 167 HB2 ARG 88 2HB ARG 88 12.253 0.229 -11.210 168 HB3 ARG 88 1HB ARG 88 13.731 -0.338 -11.966 169 HG2 ARG 88 2HG ARG 88 11.518 -2.046 -10.839 170 HG3 ARG 88 1HG ARG 88 11.883 -1.780 -12.541 171 HD2 ARG 88 2HD ARG 88 13.565 -3.243 -10.504 172 HD3 ARG 88 1HD ARG 88 12.762 -3.921 -11.913 173 HE ARG 88 HE ARG 88 15.047 -2.061 -12.026 174 HH11 ARG 88 1HH1 ARG 88 13.256 -4.761 -13.435 175 HH12 ARG 88 2HH1 ARG 88 14.412 -5.107 -14.616 176 HH21 ARG 88 1HH2 ARG 88 16.651 -2.517 -13.607 177 HH22 ARG 88 2HH2 ARG 88 16.440 -3.777 -14.723 178 H ARG 89 H ARG 89 12.990 1.738 -8.941 179 HA ARG 89 HA ARG 89 15.104 3.370 -9.809 180 HB2 ARG 89 2HB ARG 89 12.986 3.691 -7.746 181 HB3 ARG 89 1HB ARG 89 14.282 4.873 -7.875 182 HG2 ARG 89 2HG ARG 89 13.733 5.147 -10.267 183 HG3 ARG 89 1HG ARG 89 12.349 4.080 -10.021 184 HD2 ARG 89 2HD ARG 89 12.784 6.408 -8.286 185 HD3 ARG 89 1HD ARG 89 12.110 6.650 -9.896 186 HE ARG 89 HE ARG 89 10.341 5.031 -9.192 187 HH11 ARG 89 1HH1 ARG 89 11.976 6.912 -6.630 188 HH12 ARG 89 2HH1 ARG 89 10.598 7.056 -5.665 189 HH21 ARG 89 1HH2 ARG 89 8.389 5.344 -7.856 190 HH22 ARG 89 2HH2 ARG 89 8.487 6.189 -6.412 191 H ASN 90 H ASN 90 14.622 1.586 -6.870 192 HA ASN 90 HA ASN 90 17.032 2.682 -5.705 193 HB2 ASN 90 2HB ASN 90 14.834 0.948 -4.734 194 HB3 ASN 90 1HB ASN 90 16.326 1.063 -3.785 195 HD21 ASN 90 1HD2 ASN 90 13.507 2.707 -4.955 196 HD22 ASN 90 2HD2 ASN 90 13.622 4.085 -3.929 197 H GLY 91 H GLY 91 16.010 -0.297 -7.199 198 HA2 GLY 91 2HA GLY 91 17.683 -1.646 -8.277 199 HA3 GLY 91 1HA GLY 91 18.811 -1.179 -7.013 200 H HIS 92 H HIS 92 15.501 -2.378 -6.763 201 HA HIS 92 HA HIS 92 16.492 -4.550 -5.109 202 HB2 HIS 92 2HB HIS 92 13.776 -3.312 -5.455 203 HB3 HIS 92 1HB HIS 92 14.027 -4.802 -4.548 204 HD1 HIS 92 1HD HIS 92 14.998 -4.514 -2.112 205 HD2 HIS 92 2HD HIS 92 14.788 -0.998 -4.309 206 HE1 HIS 92 1HE HIS 92 15.434 -2.654 -0.488 207 H ASN 93 H ASN 93 15.779 -6.679 -5.551 208 HA ASN 93 HA ASN 93 15.595 -7.060 -8.395 209 HB2 ASN 93 2HB ASN 93 16.013 -9.109 -6.208 210 HB3 ASN 93 1HB ASN 93 15.901 -9.506 -7.915 211 HD21 ASN 93 1HD2 ASN 93 17.964 -10.272 -8.128 212 HD22 ASN 93 2HD2 ASN 93 19.367 -9.268 -7.979 213 H VAL 94 H VAL 94 13.552 -6.104 -8.395 214 HA VAL 94 HA VAL 94 11.438 -8.073 -7.952 215 HB VAL 94 HB VAL 94 11.171 -5.061 -8.258 216 HG11 VAL 94 1HG1 VAL 94 9.230 -6.243 -9.159 217 HG12 VAL 94 2HG1 VAL 94 8.806 -5.412 -7.662 218 HG13 VAL 94 3HG1 VAL 94 9.072 -7.155 -7.660 219 HG21 VAL 94 1HG2 VAL 94 12.130 -5.649 -6.112 220 HG22 VAL 94 2HG2 VAL 94 10.849 -6.827 -5.839 221 HG23 VAL 94 3HG2 VAL 94 10.462 -5.105 -5.905 222 H SER 95 H SER 95 10.933 -9.057 -9.705 223 HA SER 95 HA SER 95 11.445 -7.842 -12.282 224 HB2 SER 95 2HB SER 95 12.148 -10.175 -11.929 225 HB3 SER 95 1HB SER 95 10.500 -10.613 -11.497 226 HG SER 95 HG SER 95 11.312 -11.004 -13.687 227 H THR 96 H THR 96 9.774 -7.344 -13.692 228 HA THR 96 HA THR 96 7.257 -6.771 -12.603 229 HB THR 96 HB THR 96 6.875 -6.464 -15.188 230 HG1 THR 96 1HG THR 96 8.931 -6.099 -16.190 231 HG21 THR 96 1HG2 THR 96 7.948 -4.251 -15.004 232 HG22 THR 96 2HG2 THR 96 8.787 -4.789 -13.544 233 HG23 THR 96 3HG2 THR 96 7.032 -4.648 -13.558 234 H ARG 97 H ARG 97 8.636 -9.584 -13.770 235 HA ARG 97 HA ARG 97 6.127 -10.757 -14.736 236 HB2 ARG 97 2HB ARG 97 8.986 -11.741 -14.906 237 HB3 ARG 97 1HB ARG 97 7.603 -12.691 -15.405 238 HG2 ARG 97 2HG ARG 97 8.623 -11.761 -17.348 239 HG3 ARG 97 1HG ARG 97 7.086 -10.945 -17.091 240 HD2 ARG 97 2HD ARG 97 8.814 -9.344 -17.741 241 HD3 ARG 97 1HD ARG 97 8.260 -9.047 -16.102 242 HE ARG 97 HE ARG 97 10.303 -10.007 -15.280 243 HH11 ARG 97 1HH1 ARG 97 10.289 -9.499 -18.771 244 HH12 ARG 97 2HH1 ARG 97 11.953 -9.145 -18.860 245 HH21 ARG 97 1HH2 ARG 97 12.644 -9.543 -15.421 246 HH22 ARG 97 2HH2 ARG 97 13.287 -9.195 -16.948 247 H GLY 98 H GLY 98 6.972 -10.199 -11.881 248 HA2 GLY 98 2HA GLY 98 6.186 -12.788 -10.857 249 HA3 GLY 98 1HA GLY 98 7.721 -12.133 -10.289 250 H ARG 99 H ARG 99 6.200 -12.443 -8.286 251 HA ARG 99 HA ARG 99 4.509 -10.115 -7.931 252 HB2 ARG 99 2HB ARG 99 5.088 -12.414 -6.067 253 HB3 ARG 99 1HB ARG 99 4.032 -11.063 -5.675 254 HG2 ARG 99 2HG ARG 99 2.635 -11.681 -7.644 255 HG3 ARG 99 1HG ARG 99 3.638 -13.120 -7.832 256 HD2 ARG 99 2HD ARG 99 2.043 -12.390 -5.387 257 HD3 ARG 99 1HD ARG 99 1.576 -13.579 -6.597 258 HE ARG 99 HE ARG 99 3.668 -14.777 -5.941 259 HH11 ARG 99 1HH1 ARG 99 2.129 -12.592 -3.595 260 HH12 ARG 99 2HH1 ARG 99 2.512 -13.550 -2.254 261 HH21 ARG 99 1HH2 ARG 99 4.201 -16.057 -4.101 262 HH22 ARG 99 2HH2 ARG 99 3.773 -15.555 -2.526 263 H ILE 100 H ILE 100 4.699 -8.864 -5.911 264 HA ILE 100 HA ILE 100 7.409 -7.856 -5.790 265 HB ILE 100 HB ILE 100 4.970 -6.822 -4.327 266 HG12 ILE 100 2HG1 ILE 100 6.021 -5.972 -7.030 267 HG13 ILE 100 1HG1 ILE 100 4.566 -6.929 -6.776 268 HG21 ILE 100 1HG2 ILE 100 6.219 -4.712 -4.311 269 HG22 ILE 100 2HG2 ILE 100 7.559 -5.491 -5.150 270 HG23 ILE 100 3HG2 ILE 100 7.137 -5.989 -3.509 271 HD11 ILE 100 1HD1 ILE 100 4.028 -4.597 -7.155 272 HD12 ILE 100 2HD1 ILE 100 5.063 -4.150 -5.794 273 HD13 ILE 100 3HD1 ILE 100 3.594 -5.085 -5.509 274 HA PRO 101 HA PRO 101 8.052 -10.110 -1.958 275 HB2 PRO 101 2HB PRO 101 10.437 -8.430 -1.619 276 HB3 PRO 101 1HB PRO 101 10.350 -10.185 -1.852 277 HG2 PRO 101 2HG PRO 101 11.306 -8.559 -3.748 278 HG3 PRO 101 1HG PRO 101 10.417 -10.050 -4.120 279 HD2 PRO 101 2HD PRO 101 9.435 -7.224 -4.212 280 HD3 PRO 101 1HD PRO 101 9.118 -8.587 -5.305 281 H ALA 102 H ALA 102 7.405 -9.681 0.070 282 HA ALA 102 HA ALA 102 6.289 -7.203 0.769 283 HB1 ALA 102 1HB ALA 102 5.905 -8.148 2.939 284 HB2 ALA 102 2HB ALA 102 7.090 -9.424 2.644 285 HB3 ALA 102 3HB ALA 102 5.587 -9.378 1.720 286 H ASP 103 H ASP 103 9.450 -8.503 1.266 287 HA ASP 103 HA ASP 103 10.482 -6.675 3.111 288 HB2 ASP 103 2HB ASP 103 11.866 -8.520 2.505 289 HB3 ASP 103 1HB ASP 103 11.783 -8.107 0.797 290 H VAL 104 H VAL 104 10.055 -6.409 -0.378 291 HA VAL 104 HA VAL 104 11.372 -3.873 -0.567 292 HB VAL 104 HB VAL 104 9.604 -5.367 -2.541 293 HG11 VAL 104 1HG1 VAL 104 9.576 -2.926 -2.966 294 HG12 VAL 104 2HG1 VAL 104 10.394 -3.828 -4.236 295 HG13 VAL 104 3HG1 VAL 104 11.342 -2.947 -3.041 296 HG21 VAL 104 1HG2 VAL 104 11.707 -6.482 -2.045 297 HG22 VAL 104 2HG2 VAL 104 12.580 -4.988 -2.417 298 HG23 VAL 104 3HG2 VAL 104 11.703 -5.833 -3.690 299 H ILE 105 H ILE 105 8.109 -5.066 -0.335 300 HA ILE 105 HA ILE 105 6.750 -2.611 -0.656 301 HB ILE 105 HB ILE 105 5.926 -4.982 1.038 302 HG12 ILE 105 2HG1 ILE 105 5.236 -4.335 -1.841 303 HG13 ILE 105 1HG1 ILE 105 6.428 -5.524 -1.339 304 HG21 ILE 105 1HG2 ILE 105 3.630 -4.138 0.725 305 HG22 ILE 105 2HG2 ILE 105 4.277 -2.723 -0.130 306 HG23 ILE 105 3HG2 ILE 105 4.647 -2.961 1.568 307 HD11 ILE 105 1HD1 ILE 105 4.336 -6.560 -1.988 308 HD12 ILE 105 2HD1 ILE 105 3.475 -5.629 -0.763 309 HD13 ILE 105 3HD1 ILE 105 4.658 -6.841 -0.282 310 H ASP 106 H ASP 106 8.029 -4.212 2.214 311 HA ASP 106 HA ASP 106 7.089 -2.350 4.127 312 HB2 ASP 106 2HB ASP 106 7.908 -4.698 4.589 313 HB3 ASP 106 1HB ASP 106 9.545 -4.117 4.317 314 H ALA 107 H ALA 107 10.117 -2.728 2.384 315 HA ALA 107 HA ALA 107 11.523 -0.537 3.436 316 HB1 ALA 107 1HB ALA 107 12.957 -0.768 1.478 317 HB2 ALA 107 2HB ALA 107 11.729 -1.780 0.703 318 HB3 ALA 107 3HB ALA 107 12.554 -2.356 2.143 319 H TYR 108 H TYR 108 9.404 -0.856 0.626 320 HA TYR 108 HA TYR 108 9.546 1.658 -0.487 321 HB2 TYR 108 2HB TYR 108 8.282 -0.187 -1.501 322 HB3 TYR 108 1HB TYR 108 7.120 -0.135 -0.184 323 HD1 TYR 108 1HD TYR 108 8.417 1.719 -3.072 324 HD2 TYR 108 2HD TYR 108 5.259 1.388 -0.264 325 HE1 TYR 108 1HE TYR 108 7.115 3.300 -4.375 326 HE2 TYR 108 2HE TYR 108 3.923 2.981 -1.571 327 HH TYR 108 HH TYR 108 4.326 4.781 -3.206 328 H HIS 109 H HIS 109 7.331 0.487 1.988 329 HA HIS 109 HA HIS 109 6.255 3.049 2.387 330 HB2 HIS 109 2HB HIS 109 5.907 0.495 3.918 331 HB3 HIS 109 1HB HIS 109 5.136 2.003 4.424 332 HD1 HIS 109 1HD HIS 109 3.269 2.960 2.854 333 HD2 HIS 109 2HD HIS 109 4.825 -0.694 1.663 334 HE1 HIS 109 1HE HIS 109 1.791 2.157 1.014 335 H ALA 110 H ALA 110 9.005 1.515 3.672 336 HA ALA 110 HA ALA 110 9.235 3.249 5.964 337 HB1 ALA 110 1HB ALA 110 11.422 2.229 6.286 338 HB2 ALA 110 2HB ALA 110 11.310 1.462 4.702 339 HB3 ALA 110 3HB ALA 110 10.208 0.981 5.990 340 H ALA 111 H ALA 111 10.138 3.394 2.609 341 HA ALA 111 HA ALA 111 12.144 5.475 3.105 342 HB1 ALA 111 1HB ALA 111 11.265 4.081 0.606 343 HB2 ALA 111 2HB ALA 111 12.695 3.655 1.557 344 HB3 ALA 111 3HB ALA 111 12.603 5.215 0.717 345 H THR 112 H THR 112 9.146 4.775 1.563 346 HA THR 112 HA THR 112 8.826 7.500 0.740 347 HB THR 112 HB THR 112 8.155 4.812 -0.401 348 HG1 THR 112 1HG THR 112 9.876 6.779 -0.896 349 HG21 THR 112 1HG2 THR 112 6.975 7.434 -1.246 350 HG22 THR 112 2HG2 THR 112 6.148 6.036 -0.485 351 HG23 THR 112 3HG2 THR 112 6.851 5.871 -2.107 Start of MODEL 15 1 H MET 65 1HT MET 65 11.229 8.804 -19.076 2 HA MET 65 HA MET 65 11.308 7.148 -17.401 3 HB2 MET 65 2HB MET 65 13.776 7.085 -17.170 4 HB3 MET 65 1HB MET 65 13.740 8.681 -16.439 5 HG2 MET 65 2HG MET 65 12.437 7.779 -14.567 6 HG3 MET 65 1HG MET 65 12.505 6.182 -15.302 7 HE1 MET 65 1HE MET 65 14.785 4.793 -15.618 8 HE2 MET 65 2HE MET 65 16.361 5.373 -15.079 9 HE3 MET 65 3HE MET 65 15.558 6.152 -16.436 10 H SER 66 H SER 66 9.411 7.911 -16.667 11 HA SER 66 HA SER 66 9.473 10.205 -14.889 12 HB2 SER 66 2HB SER 66 7.497 9.899 -17.173 13 HB3 SER 66 1HB SER 66 7.427 11.136 -15.920 14 HG SER 66 HG SER 66 9.835 11.242 -16.884 15 H GLY 67 H GLY 67 8.920 9.187 -13.045 16 HA2 GLY 67 2HA GLY 67 6.594 7.395 -13.083 17 HA3 GLY 67 1HA GLY 67 7.814 7.481 -11.803 18 H SER 68 H SER 68 5.331 9.371 -13.420 19 HA SER 68 HA SER 68 5.299 11.499 -11.590 20 HB2 SER 68 2HB SER 68 3.151 10.630 -13.529 21 HB3 SER 68 1HB SER 68 3.406 12.248 -12.867 22 HG SER 68 HG SER 68 5.545 12.099 -13.850 23 H GLY 69 H GLY 69 4.881 11.017 -9.542 24 HA2 GLY 69 2HA GLY 69 2.331 10.757 -8.576 25 HA3 GLY 69 1HA GLY 69 2.978 9.121 -8.641 26 H ARG 70 H ARG 70 3.509 12.344 -7.288 27 HA ARG 70 HA ARG 70 5.016 10.993 -5.174 28 HB2 ARG 70 2HB ARG 70 5.681 13.748 -6.246 29 HB3 ARG 70 1HB ARG 70 6.379 13.056 -4.797 30 HG2 ARG 70 2HG ARG 70 8.027 12.700 -6.376 31 HG3 ARG 70 1HG ARG 70 7.170 11.160 -6.389 32 HD2 ARG 70 2HD ARG 70 5.851 11.973 -8.327 33 HD3 ARG 70 1HD ARG 70 6.842 13.430 -8.335 34 HE ARG 70 HE ARG 70 8.029 10.771 -8.642 35 HH11 ARG 70 1HH1 ARG 70 7.637 14.103 -9.831 36 HH12 ARG 70 2HH1 ARG 70 8.653 13.887 -11.178 37 HH21 ARG 70 1HH2 ARG 70 9.422 10.499 -10.538 38 HH22 ARG 70 2HH2 ARG 70 9.686 11.819 -11.571 39 H GLY 71 H GLY 71 3.593 10.890 -3.575 40 HA2 GLY 71 2HA GLY 71 2.865 11.828 -1.558 41 HA3 GLY 71 1HA GLY 71 3.032 13.415 -2.280 42 H ARG 72 H ARG 72 1.290 14.450 -2.784 43 HA ARG 72 HA ARG 72 -1.252 13.381 -2.077 44 HB2 ARG 72 2HB ARG 72 -0.503 16.019 -3.316 45 HB3 ARG 72 1HB ARG 72 -2.160 15.576 -2.967 46 HG2 ARG 72 2HG ARG 72 -1.372 17.016 -1.243 47 HG3 ARG 72 1HG ARG 72 -1.538 15.407 -0.556 48 HD2 ARG 72 2HD ARG 72 0.514 16.516 0.198 49 HD3 ARG 72 1HD ARG 72 0.872 15.082 -0.760 50 HE ARG 72 HE ARG 72 0.847 17.180 -2.522 51 HH11 ARG 72 1HH1 ARG 72 2.641 16.538 0.467 52 HH12 ARG 72 2HH1 ARG 72 4.098 17.181 -0.109 53 HH21 ARG 72 1HH2 ARG 72 2.891 18.103 -3.292 54 HH22 ARG 72 2HH2 ARG 72 4.246 18.090 -2.240 55 H GLY 73 H GLY 73 -3.151 13.504 -3.432 56 HA2 GLY 73 2HA GLY 73 -4.224 13.449 -5.507 57 HA3 GLY 73 1HA GLY 73 -2.656 13.240 -6.279 58 H ALA 74 H ALA 74 -4.043 11.589 -7.338 59 HA ALA 74 HA ALA 74 -4.035 9.055 -5.848 60 HB1 ALA 74 1HB ALA 74 -5.266 8.187 -7.794 61 HB2 ALA 74 2HB ALA 74 -5.117 9.750 -8.597 62 HB3 ALA 74 3HB ALA 74 -6.089 9.600 -7.132 63 H ILE 75 H ILE 75 -3.286 7.223 -7.371 64 HA ILE 75 HA ILE 75 -0.660 8.116 -8.244 65 HB ILE 75 HB ILE 75 -1.580 5.294 -7.630 66 HG12 ILE 75 2HG1 ILE 75 0.071 7.139 -5.916 67 HG13 ILE 75 1HG1 ILE 75 -1.663 6.948 -5.716 68 HG21 ILE 75 1HG2 ILE 75 0.854 4.840 -7.528 69 HG22 ILE 75 2HG2 ILE 75 1.184 6.523 -7.937 70 HG23 ILE 75 3HG2 ILE 75 0.401 5.468 -9.115 71 HD11 ILE 75 1HD1 ILE 75 -0.413 5.648 -4.117 72 HD12 ILE 75 2HD1 ILE 75 0.387 4.758 -5.429 73 HD13 ILE 75 3HD1 ILE 75 -1.368 4.630 -5.184 74 H ASP 76 H ASP 76 -0.320 8.259 -10.246 75 HA ASP 76 HA ASP 76 -2.117 7.629 -12.304 76 HB2 ASP 76 2HB ASP 76 -0.509 9.355 -12.677 77 HB3 ASP 76 1HB ASP 76 0.835 8.264 -12.348 78 H ARG 77 H ARG 77 0.650 5.944 -11.068 79 HA ARG 77 HA ARG 77 0.333 3.724 -12.944 80 HB2 ARG 77 2HB ARG 77 2.210 3.992 -10.581 81 HB3 ARG 77 1HB ARG 77 2.273 2.760 -11.821 82 HG2 ARG 77 2HG ARG 77 2.795 5.688 -12.221 83 HG3 ARG 77 1HG ARG 77 4.022 4.434 -12.051 84 HD2 ARG 77 2HD ARG 77 1.997 4.687 -14.266 85 HD3 ARG 77 1HD ARG 77 3.722 5.021 -14.395 86 HE ARG 77 HE ARG 77 2.575 2.361 -13.874 87 HH11 ARG 77 1HH1 ARG 77 5.124 4.330 -15.330 88 HH12 ARG 77 2HH1 ARG 77 5.817 3.053 -16.212 89 HH21 ARG 77 1HH2 ARG 77 3.502 0.587 -15.129 90 HH22 ARG 77 2HH2 ARG 77 4.848 0.892 -16.118 91 H GLU 78 H GLU 78 0.263 1.547 -11.898 92 HA GLU 78 HA GLU 78 -1.703 1.252 -9.872 93 HB2 GLU 78 2HB GLU 78 -0.342 -0.417 -11.676 94 HB3 GLU 78 1HB GLU 78 0.087 -1.009 -10.079 95 HG2 GLU 78 2HG GLU 78 -2.743 -0.551 -10.975 96 HG3 GLU 78 1HG GLU 78 -1.898 -2.099 -11.106 97 H GLN 79 H GLN 79 -1.325 0.401 -7.715 98 HA GLN 79 HA GLN 79 0.782 1.743 -6.371 99 HB2 GLN 79 2HB GLN 79 -0.876 -0.577 -5.387 100 HB3 GLN 79 1HB GLN 79 0.191 0.391 -4.382 101 HG2 GLN 79 2HG GLN 79 -1.178 2.372 -4.942 102 HG3 GLN 79 1HG GLN 79 -2.292 1.301 -5.800 103 HE21 GLN 79 1HE2 GLN 79 -1.089 2.293 -2.708 104 HE22 GLN 79 2HE2 GLN 79 -2.308 1.493 -1.789 105 H SER 80 H SER 80 0.337 -1.582 -7.375 106 HA SER 80 HA SER 80 2.745 -2.662 -6.444 107 HB2 SER 80 2HB SER 80 0.730 -3.885 -7.411 108 HB3 SER 80 1HB SER 80 1.287 -3.390 -9.007 109 HG SER 80 HG SER 80 2.927 -4.772 -8.873 110 H ALA 81 H ALA 81 1.960 -0.917 -9.423 111 HA ALA 81 HA ALA 81 4.529 -1.251 -10.582 112 HB1 ALA 81 1HB ALA 81 2.389 0.772 -11.213 113 HB2 ALA 81 2HB ALA 81 2.571 -0.813 -11.964 114 HB3 ALA 81 3HB ALA 81 3.802 0.429 -12.213 115 H ALA 82 H ALA 82 3.046 1.207 -8.550 116 HA ALA 82 HA ALA 82 5.115 3.112 -8.688 117 HB1 ALA 82 1HB ALA 82 2.873 3.622 -7.815 118 HB2 ALA 82 2HB ALA 82 4.133 4.051 -6.656 119 HB3 ALA 82 3HB ALA 82 3.186 2.584 -6.422 120 H ILE 83 H ILE 83 4.541 0.358 -6.555 121 HA ILE 83 HA ILE 83 6.808 0.691 -4.908 122 HB ILE 83 HB ILE 83 5.526 -1.945 -5.744 123 HG12 ILE 83 2HG1 ILE 83 4.964 -0.212 -3.323 124 HG13 ILE 83 1HG1 ILE 83 3.914 -0.370 -4.726 125 HG21 ILE 83 1HG2 ILE 83 6.478 -2.808 -3.631 126 HG22 ILE 83 2HG2 ILE 83 7.267 -1.252 -3.367 127 HG23 ILE 83 3HG2 ILE 83 7.733 -2.253 -4.742 128 HD11 ILE 83 1HD1 ILE 83 3.595 -2.741 -4.202 129 HD12 ILE 83 2HD1 ILE 83 3.107 -1.698 -2.863 130 HD13 ILE 83 3HD1 ILE 83 4.643 -2.561 -2.793 131 H ARG 84 H ARG 84 6.324 -0.907 -7.993 132 HA ARG 84 HA ARG 84 8.935 -1.888 -8.238 133 HB2 ARG 84 2HB ARG 84 6.776 -1.384 -10.238 134 HB3 ARG 84 1HB ARG 84 8.349 -2.000 -10.727 135 HG2 ARG 84 2HG ARG 84 8.093 -3.941 -9.382 136 HG3 ARG 84 1HG ARG 84 6.635 -3.291 -8.625 137 HD2 ARG 84 2HD ARG 84 6.128 -4.980 -10.304 138 HD3 ARG 84 1HD ARG 84 5.465 -3.403 -10.726 139 HE ARG 84 HE ARG 84 8.021 -3.790 -11.887 140 HH11 ARG 84 1HH1 ARG 84 4.689 -4.899 -12.245 141 HH12 ARG 84 2HH1 ARG 84 4.772 -5.072 -13.943 142 HH21 ARG 84 1HH2 ARG 84 8.153 -4.035 -14.186 143 HH22 ARG 84 2HH2 ARG 84 6.809 -4.569 -15.076 144 H GLU 85 H GLU 85 7.451 1.137 -9.339 145 HA GLU 85 HA GLU 85 9.599 2.302 -10.700 146 HB2 GLU 85 2HB GLU 85 7.581 3.608 -8.854 147 HB3 GLU 85 1HB GLU 85 8.687 4.515 -9.867 148 HG2 GLU 85 2HG GLU 85 6.522 2.656 -10.855 149 HG3 GLU 85 1HG GLU 85 6.385 4.408 -10.750 150 H TRP 86 H TRP 86 8.814 2.329 -7.248 151 HA TRP 86 HA TRP 86 11.006 3.852 -6.395 152 HB2 TRP 86 2HB TRP 86 8.978 3.611 -5.080 153 HB3 TRP 86 1HB TRP 86 9.208 1.873 -4.982 154 HD1 TRP 86 HD TRP 86 10.304 5.139 -3.399 155 HE1 TRP 86 1HE TRP 86 11.715 4.614 -1.318 156 HE3 TRP 86 3HE TRP 86 10.778 0.122 -4.022 157 HZ2 TRP 86 2HZ TRP 86 12.887 2.354 -0.100 158 HZ3 TRP 86 3HZ TRP 86 12.080 -1.169 -2.355 159 HH2 TRP 86 HH TRP 86 13.102 -0.055 -0.437 160 H ALA 87 H ALA 87 10.384 0.392 -6.604 161 HA ALA 87 HA ALA 87 12.711 -0.637 -5.516 162 HB1 ALA 87 1HB ALA 87 10.760 -2.006 -6.061 163 HB2 ALA 87 2HB ALA 87 12.182 -2.669 -6.860 164 HB3 ALA 87 3HB ALA 87 11.026 -1.716 -7.772 165 H ARG 88 H ARG 88 11.986 0.277 -8.841 166 HA ARG 88 HA ARG 88 14.447 -0.431 -9.904 167 HB2 ARG 88 2HB ARG 88 12.186 1.202 -10.748 168 HB3 ARG 88 1HB ARG 88 13.709 1.447 -11.603 169 HG2 ARG 88 2HG ARG 88 13.732 -0.659 -12.459 170 HG3 ARG 88 1HG ARG 88 12.766 -1.327 -11.144 171 HD2 ARG 88 2HD ARG 88 11.622 -1.127 -13.347 172 HD3 ARG 88 1HD ARG 88 10.854 -0.412 -11.915 173 HE ARG 88 HE ARG 88 12.467 1.337 -13.580 174 HH11 ARG 88 1HH1 ARG 88 9.201 0.158 -12.923 175 HH12 ARG 88 2HH1 ARG 88 8.456 1.678 -13.163 176 HH21 ARG 88 1HH2 ARG 88 11.379 3.483 -13.880 177 HH22 ARG 88 2HH2 ARG 88 9.680 3.550 -13.656 178 H ARG 89 H ARG 89 13.261 2.602 -8.543 179 HA ARG 89 HA ARG 89 15.478 4.247 -9.091 180 HB2 ARG 89 2HB ARG 89 13.404 4.280 -6.919 181 HB3 ARG 89 1HB ARG 89 14.719 5.436 -6.926 182 HG2 ARG 89 2HG ARG 89 12.675 5.104 -9.119 183 HG3 ARG 89 1HG ARG 89 12.647 6.347 -7.866 184 HD2 ARG 89 2HD ARG 89 15.002 6.951 -8.695 185 HD3 ARG 89 1HD ARG 89 14.603 5.991 -10.116 186 HE ARG 89 HE ARG 89 12.558 7.834 -9.619 187 HH11 ARG 89 1HH1 ARG 89 15.842 7.648 -10.908 188 HH12 ARG 89 2HH1 ARG 89 15.805 9.176 -11.645 189 HH21 ARG 89 1HH2 ARG 89 12.526 9.993 -10.635 190 HH22 ARG 89 2HH2 ARG 89 13.900 10.517 -11.494 191 H ASN 90 H ASN 90 14.821 2.012 -6.512 192 HA ASN 90 HA ASN 90 17.289 2.714 -5.176 193 HB2 ASN 90 2HB ASN 90 14.946 1.060 -4.446 194 HB3 ASN 90 1HB ASN 90 16.437 0.910 -3.500 195 HD21 ASN 90 1HD2 ASN 90 13.755 2.919 -4.378 196 HD22 ASN 90 2HD2 ASN 90 14.004 4.134 -3.188 197 H GLY 91 H GLY 91 16.358 0.421 -7.452 198 HA2 GLY 91 2HA GLY 91 17.962 -0.857 -8.612 199 HA3 GLY 91 1HA GLY 91 19.045 -0.696 -7.237 200 H HIS 92 H HIS 92 15.712 -1.749 -7.084 201 HA HIS 92 HA HIS 92 16.588 -4.312 -6.043 202 HB2 HIS 92 2HB HIS 92 13.929 -2.894 -6.100 203 HB3 HIS 92 1HB HIS 92 14.085 -4.567 -5.576 204 HD1 HIS 92 1HD HIS 92 14.657 -4.866 -3.128 205 HD2 HIS 92 2HD HIS 92 15.222 -1.001 -4.485 206 HE1 HIS 92 1HE HIS 92 15.064 -3.457 -1.069 207 H ASN 93 H ASN 93 16.308 -6.150 -7.162 208 HA ASN 93 HA ASN 93 15.297 -5.932 -9.865 209 HB2 ASN 93 2HB ASN 93 16.696 -8.221 -8.449 210 HB3 ASN 93 1HB ASN 93 16.151 -8.268 -10.121 211 HD21 ASN 93 1HD2 ASN 93 18.815 -8.577 -9.069 212 HD22 ASN 93 2HD2 ASN 93 19.770 -7.350 -9.808 213 H VAL 94 H VAL 94 13.155 -5.773 -9.556 214 HA VAL 94 HA VAL 94 11.839 -7.861 -8.024 215 HB VAL 94 HB VAL 94 10.722 -5.302 -9.225 216 HG11 VAL 94 1HG1 VAL 94 8.690 -5.790 -7.953 217 HG12 VAL 94 2HG1 VAL 94 9.367 -7.337 -7.446 218 HG13 VAL 94 3HG1 VAL 94 9.002 -7.051 -9.149 219 HG21 VAL 94 1HG2 VAL 94 11.269 -6.076 -6.368 220 HG22 VAL 94 2HG2 VAL 94 10.522 -4.571 -6.902 221 HG23 VAL 94 3HG2 VAL 94 12.198 -4.927 -7.328 222 H SER 95 H SER 95 11.153 -9.540 -9.005 223 HA SER 95 HA SER 95 11.247 -9.889 -11.787 224 HB2 SER 95 2HB SER 95 11.527 -11.723 -10.187 225 HB3 SER 95 1HB SER 95 9.860 -11.529 -9.652 226 HG SER 95 HG SER 95 9.295 -12.729 -11.212 227 H THR 96 H THR 96 9.804 -9.411 -13.309 228 HA THR 96 HA THR 96 7.418 -8.035 -12.712 229 HB THR 96 HB THR 96 7.100 -8.214 -15.203 230 HG1 THR 96 1HG THR 96 8.444 -9.420 -16.361 231 HG21 THR 96 1HG2 THR 96 9.057 -6.840 -15.780 232 HG22 THR 96 2HG2 THR 96 9.840 -7.334 -14.278 233 HG23 THR 96 3HG2 THR 96 8.372 -6.358 -14.226 234 H ARG 97 H ARG 97 8.324 -11.272 -13.425 235 HA ARG 97 HA ARG 97 5.565 -12.168 -13.566 236 HB2 ARG 97 2HB ARG 97 8.136 -13.771 -13.751 237 HB3 ARG 97 1HB ARG 97 6.526 -14.378 -14.095 238 HG2 ARG 97 2HG ARG 97 8.038 -12.282 -15.654 239 HG3 ARG 97 1HG ARG 97 7.699 -13.936 -16.163 240 HD2 ARG 97 2HD ARG 97 5.310 -13.454 -16.211 241 HD3 ARG 97 1HD ARG 97 5.626 -11.829 -15.597 242 HE ARG 97 HE ARG 97 7.083 -12.219 -17.948 243 HH11 ARG 97 1HH1 ARG 97 3.704 -11.820 -16.935 244 HH12 ARG 97 2HH1 ARG 97 3.213 -11.078 -18.371 245 HH21 ARG 97 1HH2 ARG 97 6.434 -11.210 -19.887 246 HH22 ARG 97 2HH2 ARG 97 4.812 -10.698 -20.111 247 H GLY 98 H GLY 98 4.675 -12.170 -11.617 248 HA2 GLY 98 2HA GLY 98 4.625 -13.723 -9.638 249 HA3 GLY 98 1HA GLY 98 6.266 -13.147 -9.355 250 H ARG 99 H ARG 99 5.235 -12.563 -7.273 251 HA ARG 99 HA ARG 99 3.769 -10.022 -7.441 252 HB2 ARG 99 2HB ARG 99 2.617 -11.907 -6.275 253 HB3 ARG 99 1HB ARG 99 3.956 -11.988 -5.145 254 HG2 ARG 99 2HG ARG 99 3.427 -9.753 -4.330 255 HG3 ARG 99 1HG ARG 99 2.122 -9.617 -5.505 256 HD2 ARG 99 2HD ARG 99 1.055 -11.604 -4.470 257 HD3 ARG 99 1HD ARG 99 2.316 -11.589 -3.239 258 HE ARG 99 HE ARG 99 1.405 -9.147 -2.979 259 HH11 ARG 99 1HH1 ARG 99 -0.375 -12.190 -3.231 260 HH12 ARG 99 2HH1 ARG 99 -1.770 -11.619 -2.463 261 HH21 ARG 99 1HH2 ARG 99 -0.487 -8.354 -1.913 262 HH22 ARG 99 2HH2 ARG 99 -1.847 -9.364 -1.697 263 H ILE 100 H ILE 100 4.552 -8.286 -6.211 264 HA ILE 100 HA ILE 100 7.335 -8.062 -6.009 265 HB ILE 100 HB ILE 100 5.234 -6.378 -4.627 266 HG12 ILE 100 2HG1 ILE 100 6.545 -6.036 -7.324 267 HG13 ILE 100 1HG1 ILE 100 4.876 -6.521 -7.039 268 HG21 ILE 100 1HG2 ILE 100 6.949 -4.594 -4.690 269 HG22 ILE 100 2HG2 ILE 100 8.120 -5.752 -5.305 270 HG23 ILE 100 3HG2 ILE 100 7.424 -5.965 -3.687 271 HD11 ILE 100 1HD1 ILE 100 6.119 -3.908 -6.288 272 HD12 ILE 100 2HD1 ILE 100 4.450 -4.385 -5.965 273 HD13 ILE 100 3HD1 ILE 100 5.011 -4.195 -7.629 274 HA PRO 101 HA PRO 101 8.042 -10.250 -2.172 275 HB2 PRO 101 2HB PRO 101 10.474 -8.553 -2.054 276 HB3 PRO 101 1HB PRO 101 10.327 -10.324 -2.027 277 HG2 PRO 101 2HG PRO 101 11.248 -9.070 -4.158 278 HG3 PRO 101 1HG PRO 101 10.229 -10.521 -4.282 279 HD2 PRO 101 2HD PRO 101 9.509 -7.677 -4.771 280 HD3 PRO 101 1HD PRO 101 8.955 -9.160 -5.578 281 H ALA 102 H ALA 102 7.543 -9.832 -0.162 282 HA ALA 102 HA ALA 102 6.451 -7.410 0.684 283 HB1 ALA 102 1HB ALA 102 7.461 -9.683 2.385 284 HB2 ALA 102 2HB ALA 102 5.860 -9.588 1.654 285 HB3 ALA 102 3HB ALA 102 6.335 -8.426 2.895 286 H ASP 103 H ASP 103 9.675 -8.636 0.850 287 HA ASP 103 HA ASP 103 10.810 -6.894 2.728 288 HB2 ASP 103 2HB ASP 103 12.057 -8.787 1.826 289 HB3 ASP 103 1HB ASP 103 12.030 -8.064 0.221 290 H VAL 104 H VAL 104 10.206 -6.484 -0.743 291 HA VAL 104 HA VAL 104 11.476 -3.918 -0.867 292 HB VAL 104 HB VAL 104 9.633 -5.311 -2.863 293 HG11 VAL 104 1HG1 VAL 104 9.580 -2.859 -3.140 294 HG12 VAL 104 2HG1 VAL 104 10.361 -3.669 -4.495 295 HG13 VAL 104 3HG1 VAL 104 11.340 -2.853 -3.279 296 HG21 VAL 104 1HG2 VAL 104 11.655 -5.729 -4.124 297 HG22 VAL 104 2HG2 VAL 104 11.808 -6.423 -2.498 298 HG23 VAL 104 3HG2 VAL 104 12.598 -4.888 -2.903 299 H ILE 105 H ILE 105 8.221 -5.178 -0.640 300 HA ILE 105 HA ILE 105 6.837 -2.728 -0.789 301 HB ILE 105 HB ILE 105 6.041 -5.236 0.724 302 HG12 ILE 105 2HG1 ILE 105 5.417 -4.359 -2.109 303 HG13 ILE 105 1HG1 ILE 105 6.539 -5.629 -1.646 304 HG21 ILE 105 1HG2 ILE 105 3.732 -4.419 0.468 305 HG22 ILE 105 2HG2 ILE 105 4.344 -2.926 -0.256 306 HG23 ILE 105 3HG2 ILE 105 4.715 -3.308 1.420 307 HD11 ILE 105 1HD1 ILE 105 3.561 -5.651 -1.216 308 HD12 ILE 105 2HD1 ILE 105 4.691 -6.920 -0.726 309 HD13 ILE 105 3HD1 ILE 105 4.478 -6.541 -2.439 310 H ASP 106 H ASP 106 8.277 -4.430 1.918 311 HA ASP 106 HA ASP 106 7.318 -2.772 3.993 312 HB2 ASP 106 2HB ASP 106 8.187 -5.029 4.396 313 HB3 ASP 106 1HB ASP 106 9.767 -4.533 3.819 314 H ALA 107 H ALA 107 10.334 -2.878 2.190 315 HA ALA 107 HA ALA 107 11.570 -0.676 3.411 316 HB1 ALA 107 1HB ALA 107 12.736 -2.361 2.060 317 HB2 ALA 107 2HB ALA 107 13.059 -0.725 1.483 318 HB3 ALA 107 3HB ALA 107 11.909 -1.765 0.624 319 H TYR 108 H TYR 108 9.479 -0.999 0.617 320 HA TYR 108 HA TYR 108 9.502 1.546 -0.428 321 HB2 TYR 108 2HB TYR 108 8.451 -0.284 -1.580 322 HB3 TYR 108 1HB TYR 108 7.294 -0.504 -0.276 323 HD1 TYR 108 1HD TYR 108 5.197 0.507 -0.425 324 HD2 TYR 108 2HD TYR 108 8.359 1.942 -2.870 325 HE1 TYR 108 1HE TYR 108 3.604 1.935 -1.630 326 HE2 TYR 108 2HE TYR 108 6.806 3.361 -4.076 327 HH TYR 108 HH TYR 108 3.585 3.873 -2.957 328 H HIS 109 H HIS 109 7.204 0.227 1.962 329 HA HIS 109 HA HIS 109 6.014 2.775 2.313 330 HB2 HIS 109 2HB HIS 109 5.707 0.243 3.906 331 HB3 HIS 109 1HB HIS 109 4.852 1.726 4.312 332 HD1 HIS 109 1HD HIS 109 3.300 2.696 2.187 333 HD2 HIS 109 2HD HIS 109 4.419 -1.309 2.134 334 HE1 HIS 109 1HE HIS 109 1.711 1.556 0.632 335 H ALA 110 H ALA 110 8.664 1.179 3.836 336 HA ALA 110 HA ALA 110 8.802 2.856 6.122 337 HB1 ALA 110 1HB ALA 110 11.027 1.348 4.739 338 HB2 ALA 110 2HB ALA 110 9.976 0.680 5.978 339 HB3 ALA 110 3HB ALA 110 11.080 2.000 6.376 340 H ALA 111 H ALA 111 9.963 3.081 2.854 341 HA ALA 111 HA ALA 111 11.557 5.423 3.377 342 HB1 ALA 111 1HB ALA 111 12.141 5.321 1.035 343 HB2 ALA 111 2HB ALA 111 10.912 4.086 0.761 344 HB3 ALA 111 3HB ALA 111 12.308 3.729 1.773 345 H THR 112 H THR 112 8.542 4.741 1.548 346 HA THR 112 HA THR 112 8.252 7.620 1.421 347 HB THR 112 HB THR 112 8.432 6.587 -0.833 348 HG1 THR 112 1HG THR 112 5.893 7.345 -1.213 349 HG21 THR 112 1HG2 THR 112 7.395 4.413 -0.404 350 HG22 THR 112 2HG2 THR 112 6.597 5.227 -1.756 351 HG23 THR 112 3HG2 THR 112 5.833 5.193 -0.167 Start of MODEL 16 1 H MET 65 1HT MET 65 5.205 9.385 -14.623 2 HA MET 65 HA MET 65 5.288 11.236 -16.160 3 HB2 MET 65 2HB MET 65 3.542 9.445 -16.466 4 HB3 MET 65 1HB MET 65 2.428 10.429 -15.540 5 HG2 MET 65 2HG MET 65 1.966 10.668 -17.889 6 HG3 MET 65 1HG MET 65 2.584 12.187 -17.250 7 HE1 MET 65 1HE MET 65 5.083 9.265 -19.816 8 HE2 MET 65 2HE MET 65 3.407 8.971 -19.356 9 HE3 MET 65 3HE MET 65 4.681 8.931 -18.137 10 H SER 66 H SER 66 2.427 11.730 -14.080 11 HA SER 66 HA SER 66 3.408 14.273 -13.271 12 HB2 SER 66 2HB SER 66 2.173 14.710 -15.432 13 HB3 SER 66 1HB SER 66 0.735 14.008 -14.693 14 HG SER 66 HG SER 66 1.274 15.730 -12.985 15 H GLY 67 H GLY 67 3.510 13.223 -11.324 16 HA2 GLY 67 2HA GLY 67 1.245 11.775 -10.288 17 HA3 GLY 67 1HA GLY 67 2.812 11.980 -9.523 18 H SER 68 H SER 68 -0.226 13.508 -10.189 19 HA SER 68 HA SER 68 0.084 14.974 -7.692 20 HB2 SER 68 2HB SER 68 -1.397 16.753 -8.799 21 HB3 SER 68 1HB SER 68 0.278 16.671 -9.333 22 HG SER 68 HG SER 68 -2.052 16.192 -10.710 23 H GLY 69 H GLY 69 -2.541 14.410 -10.020 24 HA2 GLY 69 2HA GLY 69 -4.598 13.463 -9.765 25 HA3 GLY 69 1HA GLY 69 -3.947 12.591 -8.382 26 H ARG 70 H ARG 70 -6.038 12.938 -7.431 27 HA ARG 70 HA ARG 70 -6.283 15.637 -6.350 28 HB2 ARG 70 2HB ARG 70 -8.472 13.598 -6.826 29 HB3 ARG 70 1HB ARG 70 -8.704 15.056 -5.880 30 HG2 ARG 70 2HG ARG 70 -9.605 15.450 -8.035 31 HG3 ARG 70 1HG ARG 70 -8.100 16.365 -7.940 32 HD2 ARG 70 2HD ARG 70 -6.967 14.536 -9.149 33 HD3 ARG 70 1HD ARG 70 -8.508 13.710 -9.316 34 HE ARG 70 HE ARG 70 -8.676 16.340 -10.310 35 HH11 ARG 70 1HH1 ARG 70 -7.442 13.116 -11.148 36 HH12 ARG 70 2HH1 ARG 70 -7.413 13.408 -12.824 37 HH21 ARG 70 1HH2 ARG 70 -8.609 16.741 -12.613 38 HH22 ARG 70 2HH2 ARG 70 -8.050 15.542 -13.673 39 H GLY 71 H GLY 71 -5.166 15.531 -4.550 40 HA2 GLY 71 2HA GLY 71 -6.183 14.449 -2.275 41 HA3 GLY 71 1HA GLY 71 -5.021 13.266 -2.884 42 H ARG 72 H ARG 72 -4.554 14.464 -0.519 43 HA ARG 72 HA ARG 72 -3.052 16.891 -0.729 44 HB2 ARG 72 2HB ARG 72 -2.745 14.872 1.495 45 HB3 ARG 72 1HB ARG 72 -2.534 16.609 1.571 46 HG2 ARG 72 2HG ARG 72 -5.129 15.083 1.396 47 HG3 ARG 72 1HG ARG 72 -4.531 16.028 2.753 48 HD2 ARG 72 2HD ARG 72 -4.719 18.071 1.326 49 HD3 ARG 72 1HD ARG 72 -5.436 17.067 0.065 50 HE ARG 72 HE ARG 72 -6.585 17.560 2.714 51 HH11 ARG 72 1HH1 ARG 72 -7.072 16.774 -0.721 52 HH12 ARG 72 2HH1 ARG 72 -8.759 16.769 -0.640 53 HH21 ARG 72 1HH2 ARG 72 -8.940 17.584 2.821 54 HH22 ARG 72 2HH2 ARG 72 -9.845 17.209 1.436 55 H GLY 73 H GLY 73 -2.199 13.523 -0.188 56 HA2 GLY 73 2HA GLY 73 0.200 13.846 -1.805 57 HA3 GLY 73 1HA GLY 73 0.404 13.263 -0.150 58 H ALA 74 H ALA 74 -2.374 12.655 -2.008 59 HA ALA 74 HA ALA 74 -2.388 9.869 -1.521 60 HB1 ALA 74 1HB ALA 74 -4.439 11.162 -1.800 61 HB2 ALA 74 2HB ALA 74 -4.336 9.833 -2.961 62 HB3 ALA 74 3HB ALA 74 -4.004 11.481 -3.481 63 H ILE 75 H ILE 75 -2.423 8.229 -2.997 64 HA ILE 75 HA ILE 75 -0.357 8.537 -5.013 65 HB ILE 75 HB ILE 75 -1.654 6.055 -3.921 66 HG12 ILE 75 2HG1 ILE 75 1.044 7.200 -3.248 67 HG13 ILE 75 1HG1 ILE 75 -0.389 7.495 -2.279 68 HG21 ILE 75 1HG2 ILE 75 0.324 4.898 -4.908 69 HG22 ILE 75 2HG2 ILE 75 0.881 6.441 -5.557 70 HG23 ILE 75 3HG2 ILE 75 -0.623 5.731 -6.142 71 HD11 ILE 75 1HD1 ILE 75 0.988 5.754 -1.322 72 HD12 ILE 75 2HD1 ILE 75 0.840 4.794 -2.812 73 HD13 ILE 75 3HD1 ILE 75 -0.587 5.147 -1.817 74 H ASP 76 H ASP 76 -1.192 9.167 -6.732 75 HA ASP 76 HA ASP 76 -3.583 7.853 -7.818 76 HB2 ASP 76 2HB ASP 76 -3.838 10.283 -7.607 77 HB3 ASP 76 1HB ASP 76 -2.397 10.521 -8.599 78 H ARG 77 H ARG 77 -2.238 6.197 -8.164 79 HA ARG 77 HA ARG 77 -1.248 5.766 -10.781 80 HB2 ARG 77 2HB ARG 77 0.731 6.048 -8.495 81 HB3 ARG 77 1HB ARG 77 1.028 4.913 -9.791 82 HG2 ARG 77 2HG ARG 77 0.471 7.736 -10.516 83 HG3 ARG 77 1HG ARG 77 2.018 7.358 -9.767 84 HD2 ARG 77 2HD ARG 77 2.111 7.340 -12.250 85 HD3 ARG 77 1HD ARG 77 2.562 5.812 -11.518 86 HE ARG 77 HE ARG 77 0.326 4.978 -12.200 87 HH11 ARG 77 1HH1 ARG 77 1.414 7.944 -13.862 88 HH12 ARG 77 2HH1 ARG 77 0.667 7.480 -15.327 89 HH21 ARG 77 1HH2 ARG 77 -0.551 4.399 -14.141 90 HH22 ARG 77 2HH2 ARG 77 -0.478 5.425 -15.514 91 H GLU 78 H GLU 78 -0.622 3.439 -10.854 92 HA GLU 78 HA GLU 78 -2.145 1.846 -9.104 93 HB2 GLU 78 2HB GLU 78 0.154 0.906 -10.828 94 HB3 GLU 78 1HB GLU 78 -1.223 -0.026 -10.279 95 HG2 GLU 78 2HG GLU 78 -1.718 0.320 -12.508 96 HG3 GLU 78 1HG GLU 78 -2.606 1.627 -11.733 97 H GLN 79 H GLN 79 -1.547 1.259 -7.073 98 HA GLN 79 HA GLN 79 0.815 2.121 -5.883 99 HB2 GLN 79 2HB GLN 79 -1.072 -0.050 -4.993 100 HB3 GLN 79 1HB GLN 79 0.285 0.503 -4.025 101 HG2 GLN 79 2HG GLN 79 -0.697 2.794 -4.090 102 HG3 GLN 79 1HG GLN 79 -2.113 2.101 -4.884 103 HE21 GLN 79 1HE2 GLN 79 -3.531 0.809 -3.690 104 HE22 GLN 79 2HE2 GLN 79 -3.429 0.726 -1.970 105 H SER 80 H SER 80 0.089 -1.015 -7.296 106 HA SER 80 HA SER 80 2.422 -2.355 -6.538 107 HB2 SER 80 2HB SER 80 1.868 -3.559 -8.785 108 HB3 SER 80 1HB SER 80 0.740 -3.721 -7.414 109 HG SER 80 HG SER 80 -0.663 -2.909 -8.700 110 H ALA 81 H ALA 81 1.660 -0.425 -9.353 111 HA ALA 81 HA ALA 81 4.134 -0.756 -10.649 112 HB1 ALA 81 1HB ALA 81 3.365 1.003 -12.132 113 HB2 ALA 81 2HB ALA 81 2.125 1.448 -10.962 114 HB3 ALA 81 3HB ALA 81 2.055 -0.127 -11.759 115 H ALA 82 H ALA 82 2.883 1.596 -8.376 116 HA ALA 82 HA ALA 82 5.007 3.447 -8.514 117 HB1 ALA 82 1HB ALA 82 2.828 3.993 -7.518 118 HB2 ALA 82 2HB ALA 82 4.146 4.312 -6.392 119 HB3 ALA 82 3HB ALA 82 3.155 2.868 -6.201 120 H ILE 83 H ILE 83 4.399 0.671 -6.367 121 HA ILE 83 HA ILE 83 6.764 0.899 -4.859 122 HB ILE 83 HB ILE 83 5.214 -1.634 -5.540 123 HG12 ILE 83 2HG1 ILE 83 5.056 0.164 -3.102 124 HG13 ILE 83 1HG1 ILE 83 3.866 0.090 -4.396 125 HG21 ILE 83 1HG2 ILE 83 7.238 -1.118 -3.348 126 HG22 ILE 83 2HG2 ILE 83 7.472 -2.160 -4.753 127 HG23 ILE 83 3HG2 ILE 83 6.280 -2.587 -3.524 128 HD11 ILE 83 1HD1 ILE 83 4.579 -2.156 -2.524 129 HD12 ILE 83 2HD1 ILE 83 3.347 -2.216 -3.789 130 HD13 ILE 83 3HD1 ILE 83 3.151 -1.131 -2.411 131 H ARG 84 H ARG 84 6.041 -0.750 -7.874 132 HA ARG 84 HA ARG 84 8.530 -1.931 -8.269 133 HB2 ARG 84 2HB ARG 84 6.401 -1.064 -10.180 134 HB3 ARG 84 1HB ARG 84 7.894 -1.808 -10.741 135 HG2 ARG 84 2HG ARG 84 7.418 -3.796 -9.443 136 HG3 ARG 84 1HG ARG 84 5.963 -3.042 -8.785 137 HD2 ARG 84 2HD ARG 84 5.491 -4.602 -10.620 138 HD3 ARG 84 1HD ARG 84 4.980 -2.943 -10.968 139 HE ARG 84 HE ARG 84 7.595 -3.416 -11.902 140 HH11 ARG 84 1HH1 ARG 84 4.272 -4.303 -12.755 141 HH12 ARG 84 2HH1 ARG 84 4.535 -4.286 -14.431 142 HH21 ARG 84 1HH2 ARG 84 7.978 -3.423 -14.209 143 HH22 ARG 84 2HH2 ARG 84 6.723 -3.801 -15.286 144 H GLU 85 H GLU 85 7.327 1.256 -9.251 145 HA GLU 85 HA GLU 85 9.558 2.189 -10.646 146 HB2 GLU 85 2HB GLU 85 7.531 3.628 -8.954 147 HB3 GLU 85 1HB GLU 85 8.785 4.474 -9.845 148 HG2 GLU 85 2HG GLU 85 6.718 2.677 -11.074 149 HG3 GLU 85 1HG GLU 85 6.610 4.436 -10.990 150 H TRP 86 H TRP 86 8.789 2.346 -7.185 151 HA TRP 86 HA TRP 86 11.029 3.838 -6.403 152 HB2 TRP 86 2HB TRP 86 8.967 3.634 -5.099 153 HB3 TRP 86 1HB TRP 86 9.233 1.906 -4.938 154 HD1 TRP 86 HD TRP 86 10.222 5.242 -3.427 155 HE1 TRP 86 1HE TRP 86 11.589 4.832 -1.325 156 HE3 TRP 86 3HE TRP 86 10.838 0.250 -3.927 157 HZ2 TRP 86 2HZ TRP 86 12.810 2.619 -0.013 158 HZ3 TRP 86 3HZ TRP 86 12.130 -0.983 -2.191 159 HH2 TRP 86 HH TRP 86 13.088 0.196 -0.284 160 H ALA 87 H ALA 87 10.290 0.402 -6.563 161 HA ALA 87 HA ALA 87 12.614 -0.685 -5.505 162 HB1 ALA 87 1HB ALA 87 10.597 -1.975 -5.980 163 HB2 ALA 87 2HB ALA 87 12.002 -2.713 -6.759 164 HB3 ALA 87 3HB ALA 87 10.862 -1.770 -7.707 165 H ARG 88 H ARG 88 11.804 0.168 -8.816 166 HA ARG 88 HA ARG 88 14.196 -0.658 -10.006 167 HB2 ARG 88 2HB ARG 88 12.285 1.522 -10.880 168 HB3 ARG 88 1HB ARG 88 13.586 0.902 -11.875 169 HG2 ARG 88 2HG ARG 88 11.431 -0.906 -10.834 170 HG3 ARG 88 1HG ARG 88 11.181 0.071 -12.272 171 HD2 ARG 88 2HD ARG 88 11.856 -2.158 -12.910 172 HD3 ARG 88 1HD ARG 88 13.124 -1.023 -13.320 173 HE ARG 88 HE ARG 88 14.306 -1.832 -11.325 174 HH11 ARG 88 1HH1 ARG 88 11.759 -3.925 -12.630 175 HH12 ARG 88 2HH1 ARG 88 12.553 -5.377 -12.292 176 HH21 ARG 88 1HH2 ARG 88 15.415 -3.851 -10.849 177 HH22 ARG 88 2HH2 ARG 88 14.698 -5.337 -11.283 178 H ARG 89 H ARG 89 13.227 2.420 -8.578 179 HA ARG 89 HA ARG 89 15.466 3.998 -9.280 180 HB2 ARG 89 2HB ARG 89 13.762 4.168 -6.786 181 HB3 ARG 89 1HB ARG 89 14.888 5.396 -7.320 182 HG2 ARG 89 2HG ARG 89 12.473 4.506 -8.874 183 HG3 ARG 89 1HG ARG 89 12.514 5.899 -7.800 184 HD2 ARG 89 2HD ARG 89 14.302 6.872 -9.188 185 HD3 ARG 89 1HD ARG 89 14.183 5.492 -10.276 186 HE ARG 89 HE ARG 89 11.801 6.168 -10.548 187 HH11 ARG 89 1HH1 ARG 89 14.316 8.574 -9.877 188 HH12 ARG 89 2HH1 ARG 89 13.453 9.859 -10.600 189 HH21 ARG 89 1HH2 ARG 89 10.629 7.961 -11.490 190 HH22 ARG 89 2HH2 ARG 89 11.327 9.513 -11.512 191 H ASN 90 H ASN 90 14.823 1.976 -6.514 192 HA ASN 90 HA ASN 90 17.310 2.608 -5.219 193 HB2 ASN 90 2HB ASN 90 15.042 0.784 -4.608 194 HB3 ASN 90 1HB ASN 90 16.516 0.712 -3.630 195 HD21 ASN 90 1HD2 ASN 90 13.751 2.645 -4.579 196 HD22 ASN 90 2HD2 ASN 90 13.871 3.796 -3.320 197 H GLY 91 H GLY 91 16.189 0.075 -7.306 198 HA2 GLY 91 2HA GLY 91 17.836 -1.113 -8.602 199 HA3 GLY 91 1HA GLY 91 18.921 -1.022 -7.221 200 H HIS 92 H HIS 92 15.616 -1.779 -6.681 201 HA HIS 92 HA HIS 92 16.353 -4.365 -5.665 202 HB2 HIS 92 2HB HIS 92 13.767 -2.852 -5.779 203 HB3 HIS 92 1HB HIS 92 13.854 -4.495 -5.151 204 HD1 HIS 92 1HD HIS 92 15.466 -4.712 -2.907 205 HD2 HIS 92 2HD HIS 92 14.246 -0.912 -4.031 206 HE1 HIS 92 1HE HIS 92 15.883 -3.235 -0.926 207 H ASN 93 H ASN 93 16.066 -6.211 -6.682 208 HA ASN 93 HA ASN 93 15.219 -6.022 -9.427 209 HB2 ASN 93 2HB ASN 93 16.530 -8.277 -7.919 210 HB3 ASN 93 1HB ASN 93 15.894 -8.498 -9.540 211 HD21 ASN 93 1HD2 ASN 93 17.474 -5.533 -8.409 212 HD22 ASN 93 2HD2 ASN 93 18.852 -5.689 -9.414 213 H VAL 94 H VAL 94 13.127 -5.691 -9.365 214 HA VAL 94 HA VAL 94 11.436 -7.810 -8.306 215 HB VAL 94 HB VAL 94 10.680 -5.073 -9.402 216 HG11 VAL 94 1HG1 VAL 94 8.879 -6.696 -9.759 217 HG12 VAL 94 2HG1 VAL 94 8.447 -5.526 -8.512 218 HG13 VAL 94 3HG1 VAL 94 8.949 -7.152 -8.053 219 HG21 VAL 94 1HG2 VAL 94 10.726 -6.113 -6.574 220 HG22 VAL 94 2HG2 VAL 94 10.155 -4.518 -7.076 221 HG23 VAL 94 3HG2 VAL 94 11.856 -4.957 -7.273 222 H SER 95 H SER 95 10.978 -9.359 -9.618 223 HA SER 95 HA SER 95 11.374 -9.123 -12.456 224 HB2 SER 95 2HB SER 95 12.133 -11.119 -11.169 225 HB3 SER 95 1HB SER 95 10.459 -11.464 -10.764 226 HG SER 95 HG SER 95 11.859 -12.031 -12.998 227 H THR 96 H THR 96 9.713 -9.826 -13.951 228 HA THR 96 HA THR 96 7.085 -8.877 -13.274 229 HB THR 96 HB THR 96 6.656 -9.582 -15.716 230 HG1 THR 96 1HG THR 96 8.215 -10.585 -16.682 231 HG21 THR 96 1HG2 THR 96 7.839 -7.606 -16.599 232 HG22 THR 96 2HG2 THR 96 8.797 -7.533 -15.119 233 HG23 THR 96 3HG2 THR 96 7.059 -7.247 -15.058 234 H ARG 97 H ARG 97 8.799 -11.783 -13.224 235 HA ARG 97 HA ARG 97 6.366 -13.378 -13.405 236 HB2 ARG 97 2HB ARG 97 9.257 -14.231 -13.455 237 HB3 ARG 97 1HB ARG 97 7.898 -15.349 -13.485 238 HG2 ARG 97 2HG ARG 97 8.463 -13.231 -15.540 239 HG3 ARG 97 1HG ARG 97 8.851 -14.948 -15.706 240 HD2 ARG 97 2HD ARG 97 6.521 -15.529 -15.597 241 HD3 ARG 97 1HD ARG 97 6.070 -13.862 -15.249 242 HE ARG 97 HE ARG 97 7.383 -13.674 -17.565 243 HH11 ARG 97 1HH1 ARG 97 4.699 -15.763 -16.544 244 HH12 ARG 97 2HH1 ARG 97 3.932 -15.696 -18.065 245 HH21 ARG 97 1HH2 ARG 97 6.314 -13.585 -19.593 246 HH22 ARG 97 2HH2 ARG 97 4.877 -14.455 -19.829 247 H GLY 98 H GLY 98 5.508 -12.777 -11.472 248 HA2 GLY 98 2HA GLY 98 5.490 -14.349 -9.422 249 HA3 GLY 98 1HA GLY 98 6.992 -13.490 -9.088 250 H ARG 99 H ARG 99 6.329 -12.445 -7.335 251 HA ARG 99 HA ARG 99 4.230 -10.435 -7.732 252 HB2 ARG 99 2HB ARG 99 3.617 -10.671 -5.367 253 HB3 ARG 99 1HB ARG 99 3.378 -12.172 -6.245 254 HG2 ARG 99 2HG ARG 99 5.427 -13.073 -5.293 255 HG3 ARG 99 1HG ARG 99 5.720 -11.544 -4.456 256 HD2 ARG 99 2HD ARG 99 3.637 -11.827 -3.220 257 HD3 ARG 99 1HD ARG 99 3.341 -13.351 -4.058 258 HE ARG 99 HE ARG 99 5.809 -13.614 -2.912 259 HH11 ARG 99 1HH1 ARG 99 2.553 -12.907 -1.692 260 HH12 ARG 99 2HH1 ARG 99 2.790 -13.679 -0.196 261 HH21 ARG 99 1HH2 ARG 99 6.145 -14.679 -0.873 262 HH22 ARG 99 2HH2 ARG 99 4.913 -14.716 0.290 263 H ILE 100 H ILE 100 4.513 -8.637 -6.085 264 HA ILE 100 HA ILE 100 7.244 -7.801 -6.146 265 HB ILE 100 HB ILE 100 4.848 -6.473 -4.818 266 HG12 ILE 100 2HG1 ILE 100 6.100 -5.978 -7.533 267 HG13 ILE 100 1HG1 ILE 100 4.546 -6.746 -7.246 268 HG21 ILE 100 1HG2 ILE 100 6.224 -4.430 -4.883 269 HG22 ILE 100 2HG2 ILE 100 7.565 -5.355 -5.554 270 HG23 ILE 100 3HG2 ILE 100 6.996 -5.690 -3.918 271 HD11 ILE 100 1HD1 ILE 100 4.279 -4.443 -7.936 272 HD12 ILE 100 2HD1 ILE 100 5.279 -3.914 -6.581 273 HD13 ILE 100 3HD1 ILE 100 3.708 -4.666 -6.278 274 HA PRO 101 HA PRO 101 8.084 -9.943 -2.333 275 HB2 PRO 101 2HB PRO 101 10.429 -8.151 -2.166 276 HB3 PRO 101 1HB PRO 101 10.383 -9.922 -2.247 277 HG2 PRO 101 2HG PRO 101 11.217 -8.482 -4.312 278 HG3 PRO 101 1HG PRO 101 10.304 -9.991 -4.515 279 HD2 PRO 101 2HD PRO 101 9.362 -7.182 -4.835 280 HD3 PRO 101 1HD PRO 101 8.937 -8.652 -5.736 281 H ALA 102 H ALA 102 7.452 -9.561 -0.349 282 HA ALA 102 HA ALA 102 6.363 -7.120 0.466 283 HB1 ALA 102 1HB ALA 102 7.191 -9.471 2.160 284 HB2 ALA 102 2HB ALA 102 5.628 -9.255 1.365 285 HB3 ALA 102 3HB ALA 102 6.116 -8.163 2.660 286 H ASP 103 H ASP 103 9.529 -8.425 0.738 287 HA ASP 103 HA ASP 103 10.662 -6.740 2.667 288 HB2 ASP 103 2HB ASP 103 11.867 -8.671 1.812 289 HB3 ASP 103 1HB ASP 103 11.854 -7.998 0.187 290 H VAL 104 H VAL 104 10.065 -6.286 -0.776 291 HA VAL 104 HA VAL 104 11.371 -3.726 -0.892 292 HB VAL 104 HB VAL 104 9.488 -5.081 -2.865 293 HG11 VAL 104 1HG1 VAL 104 9.507 -2.641 -3.162 294 HG12 VAL 104 2HG1 VAL 104 10.284 -3.475 -4.509 295 HG13 VAL 104 3HG1 VAL 104 11.269 -2.677 -3.282 296 HG21 VAL 104 1HG2 VAL 104 11.575 -6.299 -2.550 297 HG22 VAL 104 2HG2 VAL 104 12.482 -4.819 -2.884 298 HG23 VAL 104 3HG2 VAL 104 11.503 -5.557 -4.152 299 H ILE 105 H ILE 105 8.126 -4.987 -0.589 300 HA ILE 105 HA ILE 105 6.732 -2.533 -0.767 301 HB ILE 105 HB ILE 105 5.922 -5.027 0.761 302 HG12 ILE 105 2HG1 ILE 105 5.221 -4.171 -2.065 303 HG13 ILE 105 1HG1 ILE 105 6.406 -5.403 -1.654 304 HG21 ILE 105 1HG2 ILE 105 4.236 -2.721 -0.253 305 HG22 ILE 105 2HG2 ILE 105 4.645 -3.028 1.424 306 HG23 ILE 105 3HG2 ILE 105 3.624 -4.176 0.545 307 HD11 ILE 105 1HD1 ILE 105 3.448 -5.528 -1.090 308 HD12 ILE 105 2HD1 ILE 105 4.637 -6.770 -0.676 309 HD13 ILE 105 3HD1 ILE 105 4.314 -6.393 -2.361 310 H ASP 106 H ASP 106 8.096 -4.276 1.991 311 HA ASP 106 HA ASP 106 7.157 -2.491 3.972 312 HB2 ASP 106 2HB ASP 106 7.855 -4.719 4.620 313 HB3 ASP 106 1HB ASP 106 9.479 -4.430 4.001 314 H ALA 107 H ALA 107 10.239 -2.832 2.278 315 HA ALA 107 HA ALA 107 11.527 -0.663 3.434 316 HB1 ALA 107 1HB ALA 107 12.596 -2.395 2.063 317 HB2 ALA 107 2HB ALA 107 13.023 -0.774 1.517 318 HB3 ALA 107 3HB ALA 107 11.817 -1.729 0.632 319 H TYR 108 H TYR 108 9.460 -0.832 0.577 320 HA TYR 108 HA TYR 108 9.497 1.781 -0.307 321 HB2 TYR 108 2HB TYR 108 8.325 -0.034 -1.492 322 HB3 TYR 108 1HB TYR 108 7.153 -0.119 -0.186 323 HD1 TYR 108 1HD TYR 108 8.324 1.893 -3.017 324 HD2 TYR 108 2HD TYR 108 5.284 1.418 -0.108 325 HE1 TYR 108 1HE TYR 108 6.909 3.480 -4.250 326 HE2 TYR 108 2HE TYR 108 3.852 3.010 -1.326 327 HH TYR 108 HH TYR 108 4.166 4.918 -2.986 328 H HIS 109 H HIS 109 7.217 0.334 2.007 329 HA HIS 109 HA HIS 109 6.156 2.892 2.599 330 HB2 HIS 109 2HB HIS 109 5.647 0.213 3.844 331 HB3 HIS 109 1HB HIS 109 4.935 1.681 4.508 332 HD1 HIS 109 1HD HIS 109 3.027 2.793 3.146 333 HD2 HIS 109 2HD HIS 109 4.682 -0.554 1.330 334 HE1 HIS 109 1HE HIS 109 1.552 2.270 1.199 335 H ALA 110 H ALA 110 8.882 1.348 3.723 336 HA ALA 110 HA ALA 110 9.032 2.779 6.219 337 HB1 ALA 110 1HB ALA 110 10.130 0.582 5.938 338 HB2 ALA 110 2HB ALA 110 11.266 1.844 6.399 339 HB3 ALA 110 3HB ALA 110 11.188 1.297 4.726 340 H ALA 111 H ALA 111 10.020 3.273 2.889 341 HA ALA 111 HA ALA 111 11.827 5.453 3.642 342 HB1 ALA 111 1HB ALA 111 11.147 4.150 1.026 343 HB2 ALA 111 2HB ALA 111 12.582 3.805 1.994 344 HB3 ALA 111 3HB ALA 111 12.370 5.398 1.237 345 H THR 112 H THR 112 8.906 4.642 2.052 346 HA THR 112 HA THR 112 8.311 7.381 1.442 347 HB THR 112 HB THR 112 7.898 4.760 0.001 348 HG1 THR 112 1HG THR 112 9.475 7.027 -0.380 349 HG21 THR 112 1HG2 THR 112 6.807 5.969 -1.705 350 HG22 THR 112 2HG2 THR 112 6.918 7.477 -0.743 351 HG23 THR 112 3HG2 THR 112 5.939 6.092 -0.164 Start of MODEL 17 1 H MET 65 1HT MET 65 -19.231 -6.961 -10.281 2 HA MET 65 HA MET 65 -17.205 -5.967 -8.396 3 HB2 MET 65 2HB MET 65 -16.385 -5.881 -10.728 4 HB3 MET 65 1HB MET 65 -17.863 -5.070 -11.212 5 HG2 MET 65 2HG MET 65 -16.032 -3.496 -11.018 6 HG3 MET 65 1HG MET 65 -17.280 -3.153 -9.826 7 HE1 MET 65 1HE MET 65 -14.465 -5.969 -9.734 8 HE2 MET 65 2HE MET 65 -13.198 -5.094 -8.873 9 HE3 MET 65 3HE MET 65 -13.705 -4.561 -10.475 10 H SER 66 H SER 66 -18.447 -5.094 -6.817 11 HA SER 66 HA SER 66 -20.817 -3.634 -7.530 12 HB2 SER 66 2HB SER 66 -19.445 -4.040 -4.858 13 HB3 SER 66 1HB SER 66 -21.065 -3.382 -5.103 14 HG SER 66 HG SER 66 -21.733 -5.311 -5.905 15 H GLY 67 H GLY 67 -19.808 -2.063 -8.824 16 HA2 GLY 67 2HA GLY 67 -18.354 -0.061 -7.258 17 HA3 GLY 67 1HA GLY 67 -17.735 -0.583 -8.812 18 H SER 68 H SER 68 -21.085 -0.047 -7.969 19 HA SER 68 HA SER 68 -21.438 1.800 -10.126 20 HB2 SER 68 2HB SER 68 -23.275 1.172 -7.799 21 HB3 SER 68 1HB SER 68 -23.741 1.861 -9.358 22 HG SER 68 HG SER 68 -22.634 -0.188 -10.163 23 H GLY 69 H GLY 69 -20.879 1.837 -6.728 24 HA2 GLY 69 2HA GLY 69 -20.315 4.703 -6.848 25 HA3 GLY 69 1HA GLY 69 -21.191 4.009 -5.480 26 H ARG 70 H ARG 70 -18.162 4.009 -7.207 27 HA ARG 70 HA ARG 70 -16.867 2.315 -5.273 28 HB2 ARG 70 2HB ARG 70 -15.693 4.006 -7.460 29 HB3 ARG 70 1HB ARG 70 -14.780 2.905 -6.435 30 HG2 ARG 70 2HG ARG 70 -16.430 1.120 -7.255 31 HG3 ARG 70 1HG ARG 70 -16.822 2.281 -8.525 32 HD2 ARG 70 2HD ARG 70 -14.144 1.242 -7.819 33 HD3 ARG 70 1HD ARG 70 -15.088 0.685 -9.211 34 HE ARG 70 HE ARG 70 -14.580 3.522 -9.172 35 HH11 ARG 70 1HH1 ARG 70 -13.290 0.419 -10.288 36 HH12 ARG 70 2HH1 ARG 70 -12.264 1.102 -11.449 37 HH21 ARG 70 1HH2 ARG 70 -13.082 4.467 -10.695 38 HH22 ARG 70 2HH2 ARG 70 -12.076 3.478 -11.627 39 H GLY 71 H GLY 71 -15.257 2.949 -3.808 40 HA2 GLY 71 2HA GLY 71 -15.902 5.371 -2.471 41 HA3 GLY 71 1HA GLY 71 -14.638 4.232 -2.031 42 H ARG 72 H ARG 72 -14.573 7.105 -2.068 43 HA ARG 72 HA ARG 72 -12.981 7.974 -4.285 44 HB2 ARG 72 2HB ARG 72 -13.580 9.220 -1.607 45 HB3 ARG 72 1HB ARG 72 -12.660 10.015 -2.875 46 HG2 ARG 72 2HG ARG 72 -14.534 9.993 -4.349 47 HG3 ARG 72 1HG ARG 72 -15.478 9.026 -3.211 48 HD2 ARG 72 2HD ARG 72 -16.044 11.453 -3.210 49 HD3 ARG 72 1HD ARG 72 -15.537 10.830 -1.645 50 HE ARG 72 HE ARG 72 -13.443 11.884 -1.931 51 HH11 ARG 72 1HH1 ARG 72 -15.703 12.775 -4.493 52 HH12 ARG 72 2HH1 ARG 72 -15.106 14.358 -4.674 53 HH21 ARG 72 1HH2 ARG 72 -12.530 13.995 -2.242 54 HH22 ARG 72 2HH2 ARG 72 -13.216 15.061 -3.369 55 H GLY 73 H GLY 73 -12.382 6.111 -1.673 56 HA2 GLY 73 2HA GLY 73 -9.632 6.905 -1.209 57 HA3 GLY 73 1HA GLY 73 -10.486 5.553 -0.471 58 H ALA 74 H ALA 74 -11.153 5.274 -3.655 59 HA ALA 74 HA ALA 74 -9.441 3.072 -4.050 60 HB1 ALA 74 1HB ALA 74 -10.224 3.055 -6.332 61 HB2 ALA 74 2HB ALA 74 -10.946 4.657 -6.134 62 HB3 ALA 74 3HB ALA 74 -11.584 3.271 -5.229 63 H ILE 75 H ILE 75 -7.713 2.876 -5.516 64 HA ILE 75 HA ILE 75 -6.117 5.310 -5.450 65 HB ILE 75 HB ILE 75 -5.138 2.455 -5.764 66 HG12 ILE 75 2HG1 ILE 75 -5.256 4.092 -3.248 67 HG13 ILE 75 1HG1 ILE 75 -6.497 2.925 -3.686 68 HG21 ILE 75 1HG2 ILE 75 -3.605 4.300 -6.423 69 HG22 ILE 75 2HG2 ILE 75 -3.032 3.425 -5.009 70 HG23 ILE 75 3HG2 ILE 75 -3.799 5.008 -4.817 71 HD11 ILE 75 1HD1 ILE 75 -4.838 1.159 -3.658 72 HD12 ILE 75 2HD1 ILE 75 -4.923 1.994 -2.105 73 HD13 ILE 75 3HD1 ILE 75 -3.582 2.322 -3.214 74 H ASP 76 H ASP 76 -5.324 6.131 -7.233 75 HA ASP 76 HA ASP 76 -6.476 5.344 -9.759 76 HB2 ASP 76 2HB ASP 76 -6.244 7.716 -9.132 77 HB3 ASP 76 1HB ASP 76 -4.495 7.536 -9.114 78 H ARG 77 H ARG 77 -3.192 5.779 -8.552 79 HA ARG 77 HA ARG 77 -2.093 4.254 -10.777 80 HB2 ARG 77 2HB ARG 77 -0.840 5.547 -8.351 81 HB3 ARG 77 1HB ARG 77 0.058 4.459 -9.375 82 HG2 ARG 77 2HG ARG 77 0.624 6.707 -9.926 83 HG3 ARG 77 1HG ARG 77 -0.283 6.018 -11.262 84 HD2 ARG 77 2HD ARG 77 -2.226 7.276 -10.694 85 HD3 ARG 77 1HD ARG 77 -1.541 7.744 -9.137 86 HE ARG 77 HE ARG 77 0.249 8.795 -10.682 87 HH11 ARG 77 1HH1 ARG 77 -3.237 8.792 -11.459 88 HH12 ARG 77 2HH1 ARG 77 -3.228 10.391 -12.033 89 HH21 ARG 77 1HH2 ARG 77 0.212 10.994 -11.561 90 HH22 ARG 77 2HH2 ARG 77 -1.247 11.641 -12.132 91 H GLU 78 H GLU 78 -1.147 2.203 -10.502 92 HA GLU 78 HA GLU 78 -2.296 0.668 -8.366 93 HB2 GLU 78 2HB GLU 78 -0.221 -0.066 -10.427 94 HB3 GLU 78 1HB GLU 78 -0.878 -1.185 -9.249 95 HG2 GLU 78 2HG GLU 78 -3.111 -0.830 -10.244 96 HG3 GLU 78 1HG GLU 78 -2.349 0.183 -11.475 97 H GLN 79 H GLN 79 -1.391 0.249 -6.462 98 HA GLN 79 HA GLN 79 0.962 1.584 -5.678 99 HB2 GLN 79 2HB GLN 79 -0.571 -0.632 -4.348 100 HB3 GLN 79 1HB GLN 79 0.852 0.108 -3.631 101 HG2 GLN 79 2HG GLN 79 -1.729 1.488 -4.324 102 HG3 GLN 79 1HG GLN 79 -1.137 1.068 -2.717 103 HE21 GLN 79 1HE2 GLN 79 -1.840 3.663 -3.743 104 HE22 GLN 79 2HE2 GLN 79 -0.430 4.651 -3.630 105 H SER 80 H SER 80 0.255 -1.641 -6.778 106 HA SER 80 HA SER 80 2.696 -2.868 -6.316 107 HB2 SER 80 2HB SER 80 1.003 -3.255 -8.767 108 HB3 SER 80 1HB SER 80 1.973 -4.463 -7.912 109 HG SER 80 HG SER 80 0.532 -4.058 -6.101 110 H ALA 81 H ALA 81 1.591 -0.919 -9.064 111 HA ALA 81 HA ALA 81 3.970 -1.191 -10.564 112 HB1 ALA 81 1HB ALA 81 1.854 -0.559 -11.601 113 HB2 ALA 81 2HB ALA 81 3.090 0.661 -11.909 114 HB3 ALA 81 3HB ALA 81 1.849 0.949 -10.689 115 H ALA 82 H ALA 82 2.738 1.217 -8.325 116 HA ALA 82 HA ALA 82 4.785 3.101 -8.519 117 HB1 ALA 82 1HB ALA 82 3.066 2.428 -6.138 118 HB2 ALA 82 2HB ALA 82 2.632 3.537 -7.443 119 HB3 ALA 82 3HB ALA 82 3.977 3.918 -6.367 120 H ILE 83 H ILE 83 4.444 0.332 -6.306 121 HA ILE 83 HA ILE 83 6.860 0.841 -4.931 122 HB ILE 83 HB ILE 83 5.306 -1.746 -5.204 123 HG12 ILE 83 2HG1 ILE 83 5.293 0.288 -2.965 124 HG13 ILE 83 1HG1 ILE 83 4.034 0.110 -4.180 125 HG21 ILE 83 1HG2 ILE 83 7.587 -2.223 -4.486 126 HG22 ILE 83 2HG2 ILE 83 6.503 -2.415 -3.102 127 HG23 ILE 83 3HG2 ILE 83 7.490 -0.966 -3.255 128 HD11 ILE 83 1HD1 ILE 83 3.402 -0.920 -2.069 129 HD12 ILE 83 2HD1 ILE 83 4.822 -1.967 -2.144 130 HD13 ILE 83 3HD1 ILE 83 3.542 -2.126 -3.348 131 H ARG 84 H ARG 84 6.054 -1.062 -7.786 132 HA ARG 84 HA ARG 84 8.598 -2.258 -8.043 133 HB2 ARG 84 2HB ARG 84 6.349 -1.828 -9.969 134 HB3 ARG 84 1HB ARG 84 7.860 -2.573 -10.473 135 HG2 ARG 84 2HG ARG 84 7.588 -4.360 -8.944 136 HG3 ARG 84 1HG ARG 84 6.230 -3.563 -8.156 137 HD2 ARG 84 2HD ARG 84 5.479 -5.364 -9.591 138 HD3 ARG 84 1HD ARG 84 4.929 -3.801 -10.203 139 HE ARG 84 HE ARG 84 7.274 -4.262 -11.466 140 HH11 ARG 84 1HH1 ARG 84 4.159 -5.939 -11.303 141 HH12 ARG 84 2HH1 ARG 84 4.313 -6.707 -12.809 142 HH21 ARG 84 1HH2 ARG 84 7.447 -5.234 -13.581 143 HH22 ARG 84 2HH2 ARG 84 6.208 -6.251 -14.175 144 H GLU 85 H GLU 85 7.254 0.728 -9.312 145 HA GLU 85 HA GLU 85 9.481 1.479 -10.848 146 HB2 GLU 85 2HB GLU 85 7.461 3.186 -9.387 147 HB3 GLU 85 1HB GLU 85 8.646 3.823 -10.514 148 HG2 GLU 85 2HG GLU 85 7.668 2.521 -12.313 149 HG3 GLU 85 1HG GLU 85 6.505 1.819 -11.190 150 H TRP 86 H TRP 86 8.666 2.009 -7.430 151 HA TRP 86 HA TRP 86 10.884 3.557 -6.736 152 HB2 TRP 86 2HB TRP 86 8.869 3.420 -5.359 153 HB3 TRP 86 1HB TRP 86 9.095 1.692 -5.146 154 HD1 TRP 86 HD TRP 86 10.184 5.051 -3.747 155 HE1 TRP 86 1HE TRP 86 11.611 4.681 -1.686 156 HE3 TRP 86 3HE TRP 86 10.682 0.023 -4.088 157 HZ2 TRP 86 2HZ TRP 86 12.824 2.484 -0.325 158 HZ3 TRP 86 3HZ TRP 86 12.004 -1.175 -2.346 159 HH2 TRP 86 HH TRP 86 13.044 0.047 -0.516 160 H ALA 87 H ALA 87 10.241 0.090 -6.668 161 HA ALA 87 HA ALA 87 12.570 -0.868 -5.546 162 HB1 ALA 87 1HB ALA 87 10.592 -2.256 -5.972 163 HB2 ALA 87 2HB ALA 87 12.026 -2.991 -6.688 164 HB3 ALA 87 3HB ALA 87 10.875 -2.137 -7.699 165 H ARG 88 H ARG 88 11.853 -0.214 -8.935 166 HA ARG 88 HA ARG 88 14.433 -1.026 -9.815 167 HB2 ARG 88 2HB ARG 88 12.328 0.617 -11.221 168 HB3 ARG 88 1HB ARG 88 13.835 0.110 -11.973 169 HG2 ARG 88 2HG ARG 88 11.657 -1.705 -10.935 170 HG3 ARG 88 1HG ARG 88 12.038 -1.382 -12.629 171 HD2 ARG 88 2HD ARG 88 14.317 -2.334 -12.226 172 HD3 ARG 88 1HD ARG 88 13.798 -2.760 -10.598 173 HE ARG 88 HE ARG 88 12.002 -3.833 -12.465 174 HH11 ARG 88 1HH1 ARG 88 15.232 -4.392 -11.120 175 HH12 ARG 88 2HH1 ARG 88 15.358 -5.974 -11.714 176 HH21 ARG 88 1HH2 ARG 88 12.151 -5.981 -13.234 177 HH22 ARG 88 2HH2 ARG 88 13.551 -6.928 -12.968 178 H ARG 89 H ARG 89 13.115 2.040 -8.838 179 HA ARG 89 HA ARG 89 15.273 3.715 -9.573 180 HB2 ARG 89 2HB ARG 89 13.319 3.890 -7.284 181 HB3 ARG 89 1HB ARG 89 14.486 5.146 -7.637 182 HG2 ARG 89 2HG ARG 89 12.368 4.198 -9.545 183 HG3 ARG 89 1HG ARG 89 12.224 5.606 -8.493 184 HD2 ARG 89 2HD ARG 89 14.355 5.204 -10.568 185 HD3 ARG 89 1HD ARG 89 12.910 6.190 -10.782 186 HE ARG 89 HE ARG 89 14.908 6.742 -8.690 187 HH11 ARG 89 1HH1 ARG 89 12.858 7.896 -11.337 188 HH12 ARG 89 2HH1 ARG 89 13.331 9.521 -11.178 189 HH21 ARG 89 1HH2 ARG 89 15.528 8.945 -8.447 190 HH22 ARG 89 2HH2 ARG 89 14.878 10.145 -9.455 191 H ASN 90 H ASN 90 14.702 1.740 -6.781 192 HA ASN 90 HA ASN 90 17.099 2.712 -5.496 193 HB2 ASN 90 2HB ASN 90 14.832 0.989 -4.635 194 HB3 ASN 90 1HB ASN 90 16.296 1.092 -3.635 195 HD21 ASN 90 1HD2 ASN 90 13.575 2.847 -4.969 196 HD22 ASN 90 2HD2 ASN 90 13.636 4.196 -3.922 197 H GLY 91 H GLY 91 16.102 -0.115 -7.219 198 HA2 GLY 91 2HA GLY 91 17.903 -1.260 -8.376 199 HA3 GLY 91 1HA GLY 91 18.879 -1.055 -6.929 200 H HIS 92 H HIS 92 15.530 -2.060 -6.786 201 HA HIS 92 HA HIS 92 16.395 -4.602 -5.671 202 HB2 HIS 92 2HB HIS 92 13.735 -3.178 -5.650 203 HB3 HIS 92 1HB HIS 92 13.995 -4.773 -4.972 204 HD1 HIS 92 1HD HIS 92 14.894 -4.834 -2.561 205 HD2 HIS 92 2HD HIS 92 14.995 -1.065 -4.290 206 HE1 HIS 92 1HE HIS 92 15.476 -3.244 -0.718 207 H ASN 93 H ASN 93 15.760 -6.528 -6.577 208 HA ASN 93 HA ASN 93 14.666 -6.317 -9.254 209 HB2 ASN 93 2HB ASN 93 16.810 -7.729 -8.474 210 HB3 ASN 93 1HB ASN 93 15.560 -8.952 -8.259 211 HD21 ASN 93 1HD2 ASN 93 17.221 -6.932 -10.549 212 HD22 ASN 93 2HD2 ASN 93 16.683 -7.768 -11.958 213 H VAL 94 H VAL 94 12.570 -6.191 -9.103 214 HA VAL 94 HA VAL 94 11.139 -8.137 -7.461 215 HB VAL 94 HB VAL 94 10.169 -5.638 -8.909 216 HG11 VAL 94 1HG1 VAL 94 8.097 -5.916 -7.661 217 HG12 VAL 94 2HG1 VAL 94 8.648 -7.502 -7.097 218 HG13 VAL 94 3HG1 VAL 94 8.345 -7.227 -8.816 219 HG21 VAL 94 1HG2 VAL 94 9.890 -4.724 -6.670 220 HG22 VAL 94 2HG2 VAL 94 11.566 -5.192 -6.972 221 HG23 VAL 94 3HG2 VAL 94 10.530 -6.216 -5.982 222 H SER 95 H SER 95 12.132 -7.539 -10.607 223 HA SER 95 HA SER 95 11.904 -8.549 -12.584 224 HB2 SER 95 2HB SER 95 12.236 -10.661 -11.331 225 HB3 SER 95 1HB SER 95 10.514 -10.736 -10.975 226 HG SER 95 HG SER 95 11.823 -11.715 -13.056 227 H THR 96 H THR 96 10.121 -9.618 -14.030 228 HA THR 96 HA THR 96 7.705 -7.985 -13.820 229 HB THR 96 HB THR 96 7.505 -8.646 -16.289 230 HG1 THR 96 1HG THR 96 10.271 -9.056 -16.177 231 HG21 THR 96 1HG2 THR 96 9.115 -6.921 -17.008 232 HG22 THR 96 2HG2 THR 96 9.897 -6.996 -15.429 233 HG23 THR 96 3HG2 THR 96 8.244 -6.403 -15.563 234 H ARG 97 H ARG 97 8.955 -11.165 -13.691 235 HA ARG 97 HA ARG 97 6.604 -12.586 -14.554 236 HB2 ARG 97 2HB ARG 97 8.780 -13.657 -12.769 237 HB3 ARG 97 1HB ARG 97 7.678 -14.573 -13.773 238 HG2 ARG 97 2HG ARG 97 8.800 -13.629 -15.768 239 HG3 ARG 97 1HG ARG 97 9.958 -12.840 -14.684 240 HD2 ARG 97 2HD ARG 97 10.355 -15.126 -13.679 241 HD3 ARG 97 1HD ARG 97 9.476 -15.782 -15.055 242 HE ARG 97 HE ARG 97 11.770 -14.054 -15.501 243 HH11 ARG 97 1HH1 ARG 97 10.234 -17.208 -15.948 244 HH12 ARG 97 2HH1 ARG 97 11.587 -17.955 -16.636 245 HH21 ARG 97 1HH2 ARG 97 13.650 -15.053 -16.475 246 HH22 ARG 97 2HH2 ARG 97 13.584 -16.675 -16.989 247 H GLY 98 H GLY 98 8.167 -11.926 -11.478 248 HA2 GLY 98 2HA GLY 98 5.991 -13.141 -10.021 249 HA3 GLY 98 1HA GLY 98 7.489 -12.508 -9.351 250 H ARG 99 H ARG 99 6.212 -11.605 -7.745 251 HA ARG 99 HA ARG 99 5.057 -9.069 -8.522 252 HB2 ARG 99 2HB ARG 99 3.276 -10.802 -8.160 253 HB3 ARG 99 1HB ARG 99 3.838 -10.987 -6.507 254 HG2 ARG 99 2HG ARG 99 3.099 -8.800 -5.951 255 HG3 ARG 99 1HG ARG 99 2.806 -8.402 -7.650 256 HD2 ARG 99 2HD ARG 99 1.053 -10.089 -7.745 257 HD3 ARG 99 1HD ARG 99 1.366 -10.519 -6.066 258 HE ARG 99 HE ARG 99 0.589 -8.384 -5.409 259 HH11 ARG 99 1HH1 ARG 99 -0.110 -9.144 -8.823 260 HH12 ARG 99 2HH1 ARG 99 -1.415 -8.076 -8.922 261 HH21 ARG 99 1HH2 ARG 99 -1.213 -6.937 -5.568 262 HH22 ARG 99 2HH2 ARG 99 -2.093 -6.786 -7.009 263 H ILE 100 H ILE 100 4.687 -7.936 -6.137 264 HA ILE 100 HA ILE 100 7.399 -7.488 -5.454 265 HB ILE 100 HB ILE 100 4.980 -6.271 -4.151 266 HG12 ILE 100 2HG1 ILE 100 6.403 -5.472 -6.692 267 HG13 ILE 100 1HG1 ILE 100 4.776 -6.134 -6.593 268 HG21 ILE 100 1HG2 ILE 100 7.806 -5.287 -4.635 269 HG22 ILE 100 2HG2 ILE 100 7.161 -5.855 -3.091 270 HG23 ILE 100 3HG2 ILE 100 6.515 -4.386 -3.831 271 HD11 ILE 100 1HD1 ILE 100 5.763 -3.567 -5.497 272 HD12 ILE 100 2HD1 ILE 100 4.116 -4.182 -5.282 273 HD13 ILE 100 3HD1 ILE 100 4.716 -3.772 -6.904 274 HA PRO 101 HA PRO 101 7.428 -10.104 -1.815 275 HB2 PRO 101 2HB PRO 101 10.053 -8.894 -1.319 276 HB3 PRO 101 1HB PRO 101 9.668 -10.589 -1.678 277 HG2 PRO 101 2HG PRO 101 10.970 -9.011 -3.408 278 HG3 PRO 101 1HG PRO 101 9.893 -10.334 -3.911 279 HD2 PRO 101 2HD PRO 101 9.380 -7.400 -3.901 280 HD3 PRO 101 1HD PRO 101 8.889 -8.658 -5.057 281 H ALA 102 H ALA 102 7.086 -9.662 0.316 282 HA ALA 102 HA ALA 102 6.137 -7.204 1.184 283 HB1 ALA 102 1HB ALA 102 7.236 -9.455 2.865 284 HB2 ALA 102 2HB ALA 102 5.585 -9.340 2.251 285 HB3 ALA 102 3HB ALA 102 6.177 -8.163 3.426 286 H ASP 103 H ASP 103 9.322 -8.517 1.243 287 HA ASP 103 HA ASP 103 10.616 -6.787 3.025 288 HB2 ASP 103 2HB ASP 103 11.552 -8.872 2.019 289 HB3 ASP 103 1HB ASP 103 11.742 -8.015 0.500 290 H VAL 104 H VAL 104 9.906 -6.444 -0.424 291 HA VAL 104 HA VAL 104 11.292 -3.931 -0.639 292 HB VAL 104 HB VAL 104 9.440 -5.356 -2.605 293 HG11 VAL 104 1HG1 VAL 104 11.155 -2.913 -3.075 294 HG12 VAL 104 2HG1 VAL 104 9.399 -2.910 -2.957 295 HG13 VAL 104 3HG1 VAL 104 10.193 -3.760 -4.288 296 HG21 VAL 104 1HG2 VAL 104 11.471 -5.805 -3.846 297 HG22 VAL 104 2HG2 VAL 104 11.606 -6.463 -2.206 298 HG23 VAL 104 3HG2 VAL 104 12.409 -4.940 -2.637 299 H ILE 105 H ILE 105 8.015 -5.077 -0.248 300 HA ILE 105 HA ILE 105 6.688 -2.586 -0.492 301 HB ILE 105 HB ILE 105 5.871 -4.989 1.182 302 HG12 ILE 105 2HG1 ILE 105 5.123 -4.257 -1.658 303 HG13 ILE 105 1HG1 ILE 105 6.289 -5.491 -1.204 304 HG21 ILE 105 1HG2 ILE 105 4.637 -2.957 1.790 305 HG22 ILE 105 2HG2 ILE 105 3.587 -4.104 0.955 306 HG23 ILE 105 3HG2 ILE 105 4.216 -2.698 0.096 307 HD11 ILE 105 1HD1 ILE 105 4.161 -6.440 -1.831 308 HD12 ILE 105 2HD1 ILE 105 3.353 -5.529 -0.549 309 HD13 ILE 105 3HD1 ILE 105 4.531 -6.779 -0.143 310 H ASP 106 H ASP 106 8.204 -4.224 2.217 311 HA ASP 106 HA ASP 106 7.387 -2.466 4.268 312 HB2 ASP 106 2HB ASP 106 8.260 -4.705 4.755 313 HB3 ASP 106 1HB ASP 106 9.818 -4.261 4.072 314 H ALA 107 H ALA 107 10.385 -2.774 2.439 315 HA ALA 107 HA ALA 107 11.662 -0.517 3.458 316 HB1 ALA 107 1HB ALA 107 12.773 -2.252 2.197 317 HB2 ALA 107 2HB ALA 107 13.084 -0.670 1.468 318 HB3 ALA 107 3HB ALA 107 11.896 -1.780 0.747 319 H TYR 108 H TYR 108 9.490 -0.879 0.690 320 HA TYR 108 HA TYR 108 9.575 1.682 -0.342 321 HB2 TYR 108 2HB TYR 108 8.396 -0.088 -1.509 322 HB3 TYR 108 1HB TYR 108 7.243 -0.230 -0.189 323 HD1 TYR 108 1HD TYR 108 5.374 1.278 -0.005 324 HD2 TYR 108 2HD TYR 108 8.321 1.894 -3.003 325 HE1 TYR 108 1HE TYR 108 3.918 2.931 -1.082 326 HE2 TYR 108 2HE TYR 108 6.904 3.525 -4.091 327 HH TYR 108 HH TYR 108 4.093 4.773 -2.512 328 H HIS 109 H HIS 109 7.255 0.402 2.068 329 HA HIS 109 HA HIS 109 6.240 3.015 2.448 330 HB2 HIS 109 2HB HIS 109 5.710 0.459 3.927 331 HB3 HIS 109 1HB HIS 109 5.031 1.992 4.478 332 HD1 HIS 109 1HD HIS 109 3.311 3.164 2.805 333 HD2 HIS 109 2HD HIS 109 4.476 -0.684 1.770 334 HE1 HIS 109 1HE HIS 109 1.695 2.409 1.046 335 H ALA 110 H ALA 110 8.922 1.469 3.728 336 HA ALA 110 HA ALA 110 9.121 3.150 6.051 337 HB1 ALA 110 1HB ALA 110 10.162 0.934 6.028 338 HB2 ALA 110 2HB ALA 110 11.373 2.198 6.289 339 HB3 ALA 110 3HB ALA 110 11.215 1.441 4.708 340 H ALA 111 H ALA 111 10.065 3.374 2.657 341 HA ALA 111 HA ALA 111 11.912 5.591 3.222 342 HB1 ALA 111 1HB ALA 111 12.658 3.779 1.730 343 HB2 ALA 111 2HB ALA 111 12.506 5.328 0.874 344 HB3 ALA 111 3HB ALA 111 11.251 4.103 0.709 345 H THR 112 H THR 112 8.875 4.739 1.967 346 HA THR 112 HA THR 112 8.426 7.404 1.032 347 HB THR 112 HB THR 112 7.860 4.732 -0.273 348 HG1 THR 112 1HG THR 112 9.698 6.745 -0.560 349 HG21 THR 112 1HG2 THR 112 7.104 7.486 -1.120 350 HG22 THR 112 2HG2 THR 112 6.013 6.208 -0.502 351 HG23 THR 112 3HG2 THR 112 6.884 5.972 -2.042 Start of MODEL 18 1 H MET 65 1HT MET 65 -2.079 3.497 -20.911 2 HA MET 65 HA MET 65 -4.212 4.483 -20.585 3 HB2 MET 65 2HB MET 65 -4.049 2.039 -20.916 4 HB3 MET 65 1HB MET 65 -3.912 1.822 -19.182 5 HG2 MET 65 2HG MET 65 -6.164 2.721 -18.879 6 HG3 MET 65 1HG MET 65 -6.306 2.964 -20.619 7 HE1 MET 65 1HE MET 65 -8.457 1.356 -18.883 8 HE2 MET 65 2HE MET 65 -8.775 -0.009 -19.954 9 HE3 MET 65 3HE MET 65 -8.586 1.613 -20.621 10 H SER 66 H SER 66 -4.919 6.014 -19.369 11 HA SER 66 HA SER 66 -5.491 5.516 -16.588 12 HB2 SER 66 2HB SER 66 -3.917 7.973 -17.470 13 HB3 SER 66 1HB SER 66 -4.487 7.640 -15.836 14 HG SER 66 HG SER 66 -3.235 5.538 -16.410 15 H GLY 67 H GLY 67 -5.440 8.175 -18.974 16 HA2 GLY 67 2HA GLY 67 -7.711 8.450 -20.055 17 HA3 GLY 67 1HA GLY 67 -8.287 8.572 -18.392 18 H SER 68 H SER 68 -8.555 10.565 -17.692 19 HA SER 68 HA SER 68 -7.271 12.720 -19.100 20 HB2 SER 68 2HB SER 68 -8.775 14.116 -17.698 21 HB3 SER 68 1HB SER 68 -9.647 12.884 -18.607 22 HG SER 68 HG SER 68 -10.356 12.173 -16.762 23 H GLY 69 H GLY 69 -6.704 10.828 -16.341 24 HA2 GLY 69 2HA GLY 69 -4.481 11.144 -15.324 25 HA3 GLY 69 1HA GLY 69 -4.857 12.867 -15.279 26 H ARG 70 H ARG 70 -4.392 12.692 -12.998 27 HA ARG 70 HA ARG 70 -5.065 12.896 -10.903 28 HB2 ARG 70 2HB ARG 70 -7.762 12.218 -11.959 29 HB3 ARG 70 1HB ARG 70 -7.450 12.485 -10.247 30 HG2 ARG 70 2HG ARG 70 -6.466 14.684 -10.831 31 HG3 ARG 70 1HG ARG 70 -6.979 14.400 -12.497 32 HD2 ARG 70 2HD ARG 70 -8.718 14.314 -10.133 33 HD3 ARG 70 1HD ARG 70 -8.505 15.772 -11.124 34 HE ARG 70 HE ARG 70 -9.208 13.744 -12.854 35 HH11 ARG 70 1HH1 ARG 70 -10.754 15.388 -10.143 36 HH12 ARG 70 2HH1 ARG 70 -12.344 15.074 -10.682 37 HH21 ARG 70 1HH2 ARG 70 -11.429 13.344 -13.612 38 HH22 ARG 70 2HH2 ARG 70 -12.722 13.965 -12.698 39 H GLY 71 H GLY 71 -3.987 11.619 -9.725 40 HA2 GLY 71 2HA GLY 71 -5.057 8.935 -9.229 41 HA3 GLY 71 1HA GLY 71 -3.373 9.098 -9.695 42 H ARG 72 H ARG 72 -4.808 11.555 -7.713 43 HA ARG 72 HA ARG 72 -3.263 10.555 -5.431 44 HB2 ARG 72 2HB ARG 72 -4.224 13.333 -6.123 45 HB3 ARG 72 1HB ARG 72 -3.842 12.904 -4.472 46 HG2 ARG 72 2HG ARG 72 -1.982 14.049 -5.446 47 HG3 ARG 72 1HG ARG 72 -1.539 12.374 -5.173 48 HD2 ARG 72 2HD ARG 72 -1.815 11.894 -7.534 49 HD3 ARG 72 1HD ARG 72 -2.403 13.535 -7.815 50 HE ARG 72 HE ARG 72 0.072 13.692 -6.570 51 HH11 ARG 72 1HH1 ARG 72 -1.183 12.661 -9.693 52 HH12 ARG 72 2HH1 ARG 72 0.184 13.118 -10.582 53 HH21 ARG 72 1HH2 ARG 72 2.008 14.293 -7.783 54 HH22 ARG 72 2HH2 ARG 72 2.059 14.044 -9.455 55 H GLY 73 H GLY 73 -4.238 10.071 -3.549 56 HA2 GLY 73 2HA GLY 73 -6.066 9.923 -2.057 57 HA3 GLY 73 1HA GLY 73 -7.150 10.395 -3.376 58 H ALA 74 H ALA 74 -7.523 8.952 -5.047 59 HA ALA 74 HA ALA 74 -6.977 6.174 -4.360 60 HB1 ALA 74 1HB ALA 74 -8.956 7.310 -6.342 61 HB2 ALA 74 2HB ALA 74 -9.335 6.653 -4.737 62 HB3 ALA 74 3HB ALA 74 -8.668 5.599 -5.995 63 H ILE 75 H ILE 75 -5.615 5.121 -5.521 64 HA ILE 75 HA ILE 75 -3.939 6.627 -7.293 65 HB ILE 75 HB ILE 75 -3.751 3.738 -6.376 66 HG12 ILE 75 2HG1 ILE 75 -2.371 6.133 -5.209 67 HG13 ILE 75 1HG1 ILE 75 -3.942 5.600 -4.633 68 HG21 ILE 75 1HG2 ILE 75 -2.315 4.334 -8.325 69 HG22 ILE 75 2HG2 ILE 75 -1.365 4.012 -6.876 70 HG23 ILE 75 3HG2 ILE 75 -1.646 5.673 -7.389 71 HD11 ILE 75 1HD1 ILE 75 -2.164 4.775 -3.236 72 HD12 ILE 75 2HD1 ILE 75 -1.426 3.956 -4.631 73 HD13 ILE 75 3HD1 ILE 75 -3.031 3.473 -4.046 74 H ASP 76 H ASP 76 -3.955 6.505 -9.430 75 HA ASP 76 HA ASP 76 -6.122 5.126 -10.754 76 HB2 ASP 76 2HB ASP 76 -5.320 7.405 -11.437 77 HB3 ASP 76 1HB ASP 76 -3.832 6.655 -11.998 78 H ARG 77 H ARG 77 -2.668 4.958 -10.703 79 HA ARG 77 HA ARG 77 -2.709 2.613 -12.412 80 HB2 ARG 77 2HB ARG 77 -0.413 4.293 -11.386 81 HB3 ARG 77 1HB ARG 77 -0.263 2.957 -12.534 82 HG2 ARG 77 2HG ARG 77 -1.619 4.085 -14.144 83 HG3 ARG 77 1HG ARG 77 -2.007 5.355 -12.997 84 HD2 ARG 77 2HD ARG 77 0.356 6.048 -13.020 85 HD3 ARG 77 1HD ARG 77 0.682 4.790 -14.223 86 HE ARG 77 HE ARG 77 -1.364 6.098 -15.320 87 HH11 ARG 77 1HH1 ARG 77 1.721 7.339 -14.070 88 HH12 ARG 77 2HH1 ARG 77 1.734 8.654 -15.156 89 HH21 ARG 77 1HH2 ARG 77 -1.313 7.845 -16.727 90 HH22 ARG 77 2HH2 ARG 77 -0.009 8.968 -16.693 91 H GLU 78 H GLU 78 -0.954 0.948 -11.698 92 HA GLU 78 HA GLU 78 -2.115 -0.225 -9.385 93 HB2 GLU 78 2HB GLU 78 0.101 -1.103 -11.225 94 HB3 GLU 78 1HB GLU 78 -0.377 -2.038 -9.824 95 HG2 GLU 78 2HG GLU 78 -1.365 -2.885 -11.896 96 HG3 GLU 78 1HG GLU 78 -2.587 -2.370 -10.746 97 H GLN 79 H GLN 79 -1.407 -0.356 -7.344 98 HA GLN 79 HA GLN 79 0.731 1.221 -6.384 99 HB2 GLN 79 2HB GLN 79 -0.527 -1.195 -5.039 100 HB3 GLN 79 1HB GLN 79 0.521 -0.029 -4.253 101 HG2 GLN 79 2HG GLN 79 -1.212 1.715 -4.777 102 HG3 GLN 79 1HG GLN 79 -2.260 0.394 -5.297 103 HE21 GLN 79 1HE2 GLN 79 -3.755 0.767 -3.671 104 HE22 GLN 79 2HE2 GLN 79 -3.457 0.403 -2.015 105 H SER 80 H SER 80 0.428 -2.118 -7.348 106 HA SER 80 HA SER 80 2.928 -3.107 -6.626 107 HB2 SER 80 2HB SER 80 1.279 -3.754 -9.065 108 HB3 SER 80 1HB SER 80 2.529 -4.773 -8.336 109 HG SER 80 HG SER 80 0.419 -5.347 -7.712 110 H ALA 81 H ALA 81 1.969 -1.281 -9.507 111 HA ALA 81 HA ALA 81 4.491 -1.496 -10.753 112 HB1 ALA 81 1HB ALA 81 2.354 0.613 -11.118 113 HB2 ALA 81 2HB ALA 81 2.466 -0.903 -12.011 114 HB3 ALA 81 3HB ALA 81 3.715 0.328 -12.203 115 H ALA 82 H ALA 82 2.968 0.948 -8.735 116 HA ALA 82 HA ALA 82 5.027 2.838 -8.719 117 HB1 ALA 82 1HB ALA 82 2.780 3.267 -7.821 118 HB2 ALA 82 2HB ALA 82 4.034 3.683 -6.650 119 HB3 ALA 82 3HB ALA 82 3.120 2.185 -6.472 120 H ILE 83 H ILE 83 4.531 0.073 -6.565 121 HA ILE 83 HA ILE 83 6.814 0.543 -4.968 122 HB ILE 83 HB ILE 83 5.380 -2.091 -5.473 123 HG12 ILE 83 2HG1 ILE 83 5.062 -0.097 -3.213 124 HG13 ILE 83 1HG1 ILE 83 3.930 -0.324 -4.539 125 HG21 ILE 83 1HG2 ILE 83 6.393 -2.817 -3.335 126 HG22 ILE 83 2HG2 ILE 83 7.294 -1.304 -3.262 127 HG23 ILE 83 3HG2 ILE 83 7.618 -2.459 -4.554 128 HD11 ILE 83 1HD1 ILE 83 3.156 -1.409 -2.504 129 HD12 ILE 83 2HD1 ILE 83 4.633 -2.372 -2.445 130 HD13 ILE 83 3HD1 ILE 83 3.486 -2.597 -3.767 131 H ARG 84 H ARG 84 6.329 -1.319 -7.949 132 HA ARG 84 HA ARG 84 8.909 -2.473 -7.940 133 HB2 ARG 84 2HB ARG 84 6.984 -2.022 -10.196 134 HB3 ARG 84 1HB ARG 84 8.477 -2.933 -10.336 135 HG2 ARG 84 2HG ARG 84 7.642 -4.502 -8.631 136 HG3 ARG 84 1HG ARG 84 6.133 -3.592 -8.566 137 HD2 ARG 84 2HD ARG 84 7.230 -5.158 -10.913 138 HD3 ARG 84 1HD ARG 84 5.801 -5.473 -9.919 139 HE ARG 84 HE ARG 84 4.645 -3.763 -10.966 140 HH11 ARG 84 1HH1 ARG 84 7.914 -4.096 -12.359 141 HH12 ARG 84 2HH1 ARG 84 7.519 -3.251 -13.779 142 HH21 ARG 84 1HH2 ARG 84 4.139 -2.640 -12.941 143 HH22 ARG 84 2HH2 ARG 84 5.368 -2.374 -14.098 144 H GLU 85 H GLU 85 7.593 0.425 -9.563 145 HA GLU 85 HA GLU 85 9.968 1.134 -10.760 146 HB2 GLU 85 2HB GLU 85 7.517 2.629 -9.975 147 HB3 GLU 85 1HB GLU 85 8.945 3.534 -10.451 148 HG2 GLU 85 2HG GLU 85 7.466 3.238 -12.324 149 HG3 GLU 85 1HG GLU 85 8.990 2.390 -12.576 150 H TRP 86 H TRP 86 8.793 1.856 -7.476 151 HA TRP 86 HA TRP 86 10.927 3.528 -6.760 152 HB2 TRP 86 2HB TRP 86 8.891 3.445 -5.442 153 HB3 TRP 86 1HB TRP 86 9.112 1.729 -5.142 154 HD1 TRP 86 HD TRP 86 10.194 5.143 -3.893 155 HE1 TRP 86 1HE TRP 86 11.536 4.853 -1.724 156 HE3 TRP 86 3HE TRP 86 10.665 0.097 -3.949 157 HZ2 TRP 86 2HZ TRP 86 12.670 2.723 -0.226 158 HZ3 TRP 86 3HZ TRP 86 11.901 -1.022 -2.107 159 HH2 TRP 86 HH TRP 86 12.876 0.281 -0.294 160 H ALA 87 H ALA 87 10.378 0.073 -6.573 161 HA ALA 87 HA ALA 87 12.647 -0.775 -5.245 162 HB1 ALA 87 1HB ALA 87 10.767 -2.221 -5.774 163 HB2 ALA 87 2HB ALA 87 12.260 -2.936 -6.398 164 HB3 ALA 87 3HB ALA 87 11.147 -2.121 -7.485 165 H ARG 88 H ARG 88 12.099 -0.404 -8.676 166 HA ARG 88 HA ARG 88 14.722 -1.078 -9.436 167 HB2 ARG 88 2HB ARG 88 12.555 0.324 -10.951 168 HB3 ARG 88 1HB ARG 88 14.102 -0.139 -11.662 169 HG2 ARG 88 2HG ARG 88 13.664 -2.476 -10.912 170 HG3 ARG 88 1HG ARG 88 12.046 -1.962 -10.450 171 HD2 ARG 88 2HD ARG 88 13.221 -1.630 -13.143 172 HD3 ARG 88 1HD ARG 88 12.274 -3.045 -12.681 173 HE ARG 88 HE ARG 88 10.583 -1.039 -12.108 174 HH11 ARG 88 1HH1 ARG 88 12.564 -1.524 -15.003 175 HH12 ARG 88 2HH1 ARG 88 11.364 -0.960 -16.076 176 HH21 ARG 88 1HH2 ARG 88 8.932 -0.294 -13.594 177 HH22 ARG 88 2HH2 ARG 88 9.280 -0.244 -15.265 178 H ARG 89 H ARG 89 13.266 1.974 -8.608 179 HA ARG 89 HA ARG 89 15.341 3.753 -9.330 180 HB2 ARG 89 2HB ARG 89 13.370 3.737 -7.050 181 HB3 ARG 89 1HB ARG 89 14.558 5.006 -7.206 182 HG2 ARG 89 2HG ARG 89 12.541 4.370 -9.340 183 HG3 ARG 89 1HG ARG 89 12.226 5.496 -8.024 184 HD2 ARG 89 2HD ARG 89 14.342 6.698 -8.751 185 HD3 ARG 89 1HD ARG 89 14.282 5.710 -10.208 186 HE ARG 89 HE ARG 89 12.345 6.799 -10.880 187 HH11 ARG 89 1HH1 ARG 89 13.542 8.107 -7.775 188 HH12 ARG 89 2HH1 ARG 89 12.619 9.519 -7.856 189 HH21 ARG 89 1HH2 ARG 89 11.097 8.816 -10.978 190 HH22 ARG 89 2HH2 ARG 89 11.223 9.942 -9.711 191 H ASN 90 H ASN 90 14.771 1.784 -6.491 192 HA ASN 90 HA ASN 90 17.203 2.703 -5.214 193 HB2 ASN 90 2HB ASN 90 14.874 1.107 -4.312 194 HB3 ASN 90 1HB ASN 90 16.334 1.200 -3.307 195 HD21 ASN 90 1HD2 ASN 90 13.586 2.871 -4.569 196 HD22 ASN 90 2HD2 ASN 90 13.745 4.290 -3.604 197 H GLY 91 H GLY 91 16.441 0.124 -7.207 198 HA2 GLY 91 2HA GLY 91 18.297 -1.160 -8.046 199 HA3 GLY 91 1HA GLY 91 19.027 -1.071 -6.452 200 H HIS 92 H HIS 92 15.779 -1.743 -6.111 201 HA HIS 92 HA HIS 92 16.359 -4.492 -5.464 202 HB2 HIS 92 2HB HIS 92 13.812 -2.863 -5.304 203 HB3 HIS 92 1HB HIS 92 13.951 -4.530 -4.749 204 HD1 HIS 92 1HD HIS 92 14.929 -4.825 -2.349 205 HD2 HIS 92 2HD HIS 92 15.075 -0.940 -3.805 206 HE1 HIS 92 1HE HIS 92 15.556 -3.385 -0.396 207 H ASN 93 H ASN 93 16.169 -6.027 -6.937 208 HA ASN 93 HA ASN 93 15.012 -5.353 -9.499 209 HB2 ASN 93 2HB ASN 93 16.468 -7.846 -8.580 210 HB3 ASN 93 1HB ASN 93 15.769 -7.681 -10.176 211 HD21 ASN 93 1HD2 ASN 93 17.482 -5.075 -8.442 212 HD22 ASN 93 2HD2 ASN 93 18.824 -5.040 -9.508 213 H VAL 94 H VAL 94 12.877 -5.318 -9.433 214 HA VAL 94 HA VAL 94 11.513 -7.796 -8.644 215 HB VAL 94 HB VAL 94 10.395 -4.975 -8.415 216 HG11 VAL 94 1HG1 VAL 94 8.527 -6.039 -7.241 217 HG12 VAL 94 2HG1 VAL 94 9.239 -7.623 -7.553 218 HG13 VAL 94 3HG1 VAL 94 8.679 -6.625 -8.897 219 HG21 VAL 94 1HG2 VAL 94 12.084 -5.345 -6.695 220 HG22 VAL 94 2HG2 VAL 94 11.305 -6.855 -6.233 221 HG23 VAL 94 3HG2 VAL 94 10.472 -5.321 -5.976 222 H SER 95 H SER 95 10.435 -8.693 -10.279 223 HA SER 95 HA SER 95 10.270 -7.173 -12.763 224 HB2 SER 95 2HB SER 95 11.568 -9.307 -12.719 225 HB3 SER 95 1HB SER 95 10.102 -10.158 -12.256 226 HG SER 95 HG SER 95 10.844 -9.038 -14.693 227 H THR 96 H THR 96 8.356 -8.118 -14.144 228 HA THR 96 HA THR 96 5.882 -7.718 -12.731 229 HB THR 96 HB THR 96 5.014 -8.197 -15.118 230 HG1 THR 96 1HG THR 96 6.502 -8.850 -16.445 231 HG21 THR 96 1HG2 THR 96 6.867 -5.845 -14.640 232 HG22 THR 96 2HG2 THR 96 5.160 -5.923 -14.196 233 HG23 THR 96 3HG2 THR 96 5.633 -5.930 -15.897 234 H ARG 97 H ARG 97 7.961 -10.180 -13.605 235 HA ARG 97 HA ARG 97 5.967 -12.286 -13.725 236 HB2 ARG 97 2HB ARG 97 8.988 -12.495 -13.854 237 HB3 ARG 97 1HB ARG 97 7.822 -13.732 -14.311 238 HG2 ARG 97 2HG ARG 97 7.040 -12.373 -16.150 239 HG3 ARG 97 1HG ARG 97 8.130 -11.069 -15.682 240 HD2 ARG 97 2HD ARG 97 9.107 -12.255 -17.514 241 HD3 ARG 97 1HD ARG 97 10.030 -12.631 -16.063 242 HE ARG 97 HE ARG 97 8.102 -14.583 -16.309 243 HH11 ARG 97 1HH1 ARG 97 10.891 -13.462 -18.183 244 HH12 ARG 97 2HH1 ARG 97 11.169 -14.966 -18.910 245 HH21 ARG 97 1HH2 ARG 97 8.501 -16.651 -17.311 246 HH22 ARG 97 2HH2 ARG 97 9.785 -16.819 -18.412 247 H GLY 98 H GLY 98 5.166 -12.493 -11.722 248 HA2 GLY 98 2HA GLY 98 5.379 -13.790 -9.707 249 HA3 GLY 98 1HA GLY 98 7.022 -13.163 -9.546 250 H ARG 99 H ARG 99 5.326 -12.867 -7.451 251 HA ARG 99 HA ARG 99 4.108 -10.255 -7.521 252 HB2 ARG 99 2HB ARG 99 4.526 -12.261 -5.326 253 HB3 ARG 99 1HB ARG 99 3.921 -10.650 -4.991 254 HG2 ARG 99 2HG ARG 99 2.009 -11.060 -6.442 255 HG3 ARG 99 1HG ARG 99 2.631 -12.670 -6.811 256 HD2 ARG 99 2HD ARG 99 2.437 -13.325 -4.495 257 HD3 ARG 99 1HD ARG 99 1.976 -11.686 -4.049 258 HE ARG 99 HE ARG 99 -0.065 -11.975 -5.220 259 HH11 ARG 99 1HH1 ARG 99 1.732 -14.995 -4.622 260 HH12 ARG 99 2HH1 ARG 99 0.343 -15.962 -4.664 261 HH21 ARG 99 1HH2 ARG 99 -1.977 -13.388 -5.245 262 HH22 ARG 99 2HH2 ARG 99 -1.759 -15.068 -5.018 263 H ILE 100 H ILE 100 4.680 -8.860 -5.426 264 HA ILE 100 HA ILE 100 7.453 -8.111 -5.850 265 HB ILE 100 HB ILE 100 5.276 -6.718 -4.263 266 HG12 ILE 100 2HG1 ILE 100 6.298 -6.160 -7.058 267 HG13 ILE 100 1HG1 ILE 100 4.744 -6.877 -6.657 268 HG21 ILE 100 1HG2 ILE 100 6.753 -4.748 -4.380 269 HG22 ILE 100 2HG2 ILE 100 7.990 -5.720 -5.180 270 HG23 ILE 100 3HG2 ILE 100 7.514 -6.086 -3.521 271 HD11 ILE 100 1HD1 ILE 100 4.557 -4.517 -7.220 272 HD12 ILE 100 2HD1 ILE 100 5.653 -4.125 -5.896 273 HD13 ILE 100 3HD1 ILE 100 4.071 -4.828 -5.552 274 HA PRO 101 HA PRO 101 8.777 -10.154 -2.082 275 HB2 PRO 101 2HB PRO 101 10.810 -7.988 -2.130 276 HB3 PRO 101 1HB PRO 101 11.062 -9.738 -2.021 277 HG2 PRO 101 2HG PRO 101 11.592 -8.470 -4.255 278 HG3 PRO 101 1HG PRO 101 10.842 -10.081 -4.263 279 HD2 PRO 101 2HD PRO 101 9.597 -7.441 -4.815 280 HD3 PRO 101 1HD PRO 101 9.266 -9.039 -5.523 281 H ALA 102 H ALA 102 8.128 -9.816 -0.066 282 HA ALA 102 HA ALA 102 6.730 -7.517 0.767 283 HB1 ALA 102 1HB ALA 102 6.704 -8.569 2.967 284 HB2 ALA 102 2HB ALA 102 7.945 -9.711 2.450 285 HB3 ALA 102 3HB ALA 102 6.344 -9.749 1.709 286 H ASP 103 H ASP 103 10.067 -8.461 1.050 287 HA ASP 103 HA ASP 103 10.939 -6.561 2.924 288 HB2 ASP 103 2HB ASP 103 12.409 -7.723 0.537 289 HB3 ASP 103 1HB ASP 103 13.171 -6.704 1.739 290 H VAL 104 H VAL 104 10.389 -6.340 -0.550 291 HA VAL 104 HA VAL 104 11.482 -3.708 -0.784 292 HB VAL 104 HB VAL 104 9.694 -5.292 -2.663 293 HG11 VAL 104 1HG1 VAL 104 10.350 -3.707 -4.386 294 HG12 VAL 104 2HG1 VAL 104 11.287 -2.790 -3.210 295 HG13 VAL 104 3HG1 VAL 104 9.526 -2.866 -3.068 296 HG21 VAL 104 1HG2 VAL 104 11.724 -5.694 -3.925 297 HG22 VAL 104 2HG2 VAL 104 11.905 -6.291 -2.264 298 HG23 VAL 104 3HG2 VAL 104 12.648 -4.768 -2.746 299 H ILE 105 H ILE 105 8.322 -5.149 -0.480 300 HA ILE 105 HA ILE 105 6.761 -2.831 -0.788 301 HB ILE 105 HB ILE 105 6.164 -5.293 0.878 302 HG12 ILE 105 2HG1 ILE 105 5.361 -4.635 -1.970 303 HG13 ILE 105 1HG1 ILE 105 6.678 -5.708 -1.523 304 HG21 ILE 105 1HG2 ILE 105 3.814 -4.653 0.623 305 HG22 ILE 105 2HG2 ILE 105 4.304 -3.158 -0.210 306 HG23 ILE 105 3HG2 ILE 105 4.724 -3.402 1.477 307 HD11 ILE 105 1HD1 ILE 105 3.772 -6.134 -0.879 308 HD12 ILE 105 2HD1 ILE 105 5.098 -7.236 -0.490 309 HD13 ILE 105 3HD1 ILE 105 4.679 -6.927 -2.167 310 H ASP 106 H ASP 106 8.167 -4.340 2.106 311 HA ASP 106 HA ASP 106 7.023 -2.513 3.941 312 HB2 ASP 106 2HB ASP 106 7.797 -4.736 4.621 313 HB3 ASP 106 1HB ASP 106 9.453 -4.291 4.222 314 H ALA 107 H ALA 107 10.169 -2.775 2.381 315 HA ALA 107 HA ALA 107 11.368 -0.542 3.520 316 HB1 ALA 107 1HB ALA 107 12.561 -2.245 2.240 317 HB2 ALA 107 2HB ALA 107 12.899 -0.624 1.632 318 HB3 ALA 107 3HB ALA 107 11.775 -1.687 0.767 319 H TYR 108 H TYR 108 9.372 -0.864 0.615 320 HA TYR 108 HA TYR 108 9.462 1.738 -0.355 321 HB2 TYR 108 2HB TYR 108 8.454 -0.051 -1.640 322 HB3 TYR 108 1HB TYR 108 7.230 -0.299 -0.405 323 HD1 TYR 108 1HD TYR 108 8.374 2.006 -3.060 324 HD2 TYR 108 2HD TYR 108 5.203 0.993 -0.425 325 HE1 TYR 108 1HE TYR 108 6.898 3.524 -4.267 326 HE2 TYR 108 2HE TYR 108 3.708 2.501 -1.618 327 HH TYR 108 HH TYR 108 3.896 4.505 -3.049 328 H HIS 109 H HIS 109 7.048 0.297 1.821 329 HA HIS 109 HA HIS 109 5.776 2.762 2.170 330 HB2 HIS 109 2HB HIS 109 5.400 0.133 3.543 331 HB3 HIS 109 1HB HIS 109 4.532 1.567 4.088 332 HD1 HIS 109 1HD HIS 109 2.899 2.689 2.257 333 HD2 HIS 109 2HD HIS 109 4.360 -1.088 1.324 334 HE1 HIS 109 1HE HIS 109 1.502 1.858 0.351 335 H ALA 110 H ALA 110 8.484 1.435 3.726 336 HA ALA 110 HA ALA 110 8.275 3.226 5.993 337 HB1 ALA 110 1HB ALA 110 10.567 1.486 5.111 338 HB2 ALA 110 2HB ALA 110 9.312 1.028 6.257 339 HB3 ALA 110 3HB ALA 110 10.440 2.328 6.654 340 H ALA 111 H ALA 111 9.956 3.109 2.916 341 HA ALA 111 HA ALA 111 11.754 5.255 3.588 342 HB1 ALA 111 1HB ALA 111 12.627 5.005 1.360 343 HB2 ALA 111 2HB ALA 111 11.249 3.994 0.916 344 HB3 ALA 111 3HB ALA 111 12.415 3.413 2.097 345 H THR 112 H THR 112 8.981 4.948 1.378 346 HA THR 112 HA THR 112 9.283 7.785 0.953 347 HB THR 112 HB THR 112 9.242 6.315 -1.077 348 HG1 THR 112 1HG THR 112 6.938 7.738 -1.510 349 HG21 THR 112 1HG2 THR 112 6.345 5.815 -0.353 350 HG22 THR 112 2HG2 THR 112 7.632 4.614 -0.357 351 HG23 THR 112 3HG2 THR 112 7.114 5.355 -1.871 Start of MODEL 19 1 H MET 65 1HT MET 65 -19.548 21.254 7.084 2 HA MET 65 HA MET 65 -21.151 21.317 4.602 3 HB2 MET 65 2HB MET 65 -18.604 22.829 5.264 4 HB3 MET 65 1HB MET 65 -19.404 22.792 3.710 5 HG2 MET 65 2HG MET 65 -19.886 24.871 4.778 6 HG3 MET 65 1HG MET 65 -21.360 23.905 4.738 7 HE1 MET 65 1HE MET 65 -21.681 25.964 8.068 8 HE2 MET 65 2HE MET 65 -22.432 25.580 6.523 9 HE3 MET 65 3HE MET 65 -20.933 26.510 6.568 10 H SER 66 H SER 66 -17.700 21.088 5.379 11 HA SER 66 HA SER 66 -17.672 18.716 3.708 12 HB2 SER 66 2HB SER 66 -15.223 19.354 3.518 13 HB3 SER 66 1HB SER 66 -16.399 20.503 2.842 14 HG SER 66 HG SER 66 -14.695 21.445 4.186 15 H GLY 67 H GLY 67 -15.914 20.092 6.455 16 HA2 GLY 67 2HA GLY 67 -16.334 18.815 8.575 17 HA3 GLY 67 1HA GLY 67 -15.831 17.408 7.647 18 H SER 68 H SER 68 -13.749 16.900 7.649 19 HA SER 68 HA SER 68 -11.808 18.943 8.374 20 HB2 SER 68 2HB SER 68 -12.030 16.332 9.885 21 HB3 SER 68 1HB SER 68 -10.880 17.627 10.189 22 HG SER 68 HG SER 68 -13.611 17.475 10.720 23 H GLY 69 H GLY 69 -10.670 18.776 6.477 24 HA2 GLY 69 2HA GLY 69 -8.732 17.900 5.507 25 HA3 GLY 69 1HA GLY 69 -9.080 16.356 6.251 26 H ARG 70 H ARG 70 -10.029 14.821 5.134 27 HA ARG 70 HA ARG 70 -10.706 13.593 3.406 28 HB2 ARG 70 2HB ARG 70 -11.825 16.191 2.307 29 HB3 ARG 70 1HB ARG 70 -12.072 14.622 1.555 30 HG2 ARG 70 2HG ARG 70 -12.935 15.313 4.350 31 HG3 ARG 70 1HG ARG 70 -13.987 15.386 2.937 32 HD2 ARG 70 2HD ARG 70 -13.638 12.994 2.554 33 HD3 ARG 70 1HD ARG 70 -12.566 12.926 3.948 34 HE ARG 70 HE ARG 70 -14.580 13.747 5.213 35 HH11 ARG 70 1HH1 ARG 70 -14.880 11.641 2.357 36 HH12 ARG 70 2HH1 ARG 70 -16.264 10.846 2.916 37 HH21 ARG 70 1HH2 ARG 70 -16.515 12.602 5.978 38 HH22 ARG 70 2HH2 ARG 70 -17.240 11.442 4.988 39 H GLY 71 H GLY 71 -9.486 12.639 1.987 40 HA2 GLY 71 2HA GLY 71 -8.051 12.411 0.165 41 HA3 GLY 71 1HA GLY 71 -7.921 14.167 0.074 42 H ARG 72 H ARG 72 -6.766 15.226 1.753 43 HA ARG 72 HA ARG 72 -5.078 15.676 3.183 44 HB2 ARG 72 2HB ARG 72 -4.911 12.701 3.714 45 HB3 ARG 72 1HB ARG 72 -4.106 13.949 4.639 46 HG2 ARG 72 2HG ARG 72 -6.280 14.793 5.382 47 HG3 ARG 72 1HG ARG 72 -7.082 13.535 4.432 48 HD2 ARG 72 2HD ARG 72 -5.865 11.828 5.733 49 HD3 ARG 72 1HD ARG 72 -5.168 13.110 6.718 50 HE ARG 72 HE ARG 72 -8.044 13.068 6.614 51 HH11 ARG 72 1HH1 ARG 72 -5.160 12.022 8.387 52 HH12 ARG 72 2HH1 ARG 72 -6.009 11.660 9.808 53 HH21 ARG 72 1HH2 ARG 72 -9.203 12.526 8.569 54 HH22 ARG 72 2HH2 ARG 72 -8.363 11.943 9.919 55 H GLY 73 H GLY 73 -4.168 12.617 1.702 56 HA2 GLY 73 2HA GLY 73 -2.292 13.496 -0.099 57 HA3 GLY 73 1HA GLY 73 -1.434 13.357 1.432 58 H ALA 74 H ALA 74 -3.711 11.571 -0.529 59 HA ALA 74 HA ALA 74 -2.556 9.011 0.407 60 HB1 ALA 74 1HB ALA 74 -5.000 9.284 0.675 61 HB2 ALA 74 2HB ALA 74 -4.599 8.014 -0.481 62 HB3 ALA 74 3HB ALA 74 -5.137 9.592 -1.053 63 H ILE 75 H ILE 75 -2.738 7.346 -1.370 64 HA ILE 75 HA ILE 75 -1.084 8.383 -3.504 65 HB ILE 75 HB ILE 75 -1.785 5.518 -2.813 66 HG12 ILE 75 2HG1 ILE 75 0.723 7.059 -2.147 67 HG13 ILE 75 1HG1 ILE 75 -0.623 6.899 -1.033 68 HG21 ILE 75 1HG2 ILE 75 0.412 6.716 -4.530 69 HG22 ILE 75 2HG2 ILE 75 -0.992 5.842 -5.137 70 HG23 ILE 75 3HG2 ILE 75 0.225 5.001 -4.175 71 HD11 ILE 75 1HD1 ILE 75 -0.331 4.497 -1.039 72 HD12 ILE 75 2HD1 ILE 75 1.103 5.359 -0.496 73 HD13 ILE 75 3HD1 ILE 75 1.061 4.657 -2.126 74 H ASP 76 H ASP 76 -1.894 8.863 -5.309 75 HA ASP 76 HA ASP 76 -4.649 8.101 -6.008 76 HB2 ASP 76 2HB ASP 76 -3.998 10.505 -6.011 77 HB3 ASP 76 1HB ASP 76 -2.826 10.160 -7.272 78 H ARG 77 H ARG 77 -1.382 7.733 -6.967 79 HA ARG 77 HA ARG 77 -2.019 6.643 -9.567 80 HB2 ARG 77 2HB ARG 77 0.625 6.877 -8.120 81 HB3 ARG 77 1HB ARG 77 0.423 6.441 -9.812 82 HG2 ARG 77 2HG ARG 77 -0.438 8.587 -10.350 83 HG3 ARG 77 1HG ARG 77 -0.547 9.035 -8.651 84 HD2 ARG 77 2HD ARG 77 1.940 8.781 -8.559 85 HD3 ARG 77 1HD ARG 77 1.921 8.629 -10.319 86 HE ARG 77 HE ARG 77 0.831 10.821 -10.358 87 HH11 ARG 77 1HH1 ARG 77 2.938 9.965 -7.646 88 HH12 ARG 77 2HH1 ARG 77 3.110 11.555 -7.074 89 HH21 ARG 77 1HH2 ARG 77 1.053 13.029 -9.571 90 HH22 ARG 77 2HH2 ARG 77 1.970 13.345 -8.185 91 H GLU 78 H GLU 78 -0.785 4.497 -10.102 92 HA GLU 78 HA GLU 78 -2.010 2.468 -8.594 93 HB2 GLU 78 2HB GLU 78 0.155 2.345 -10.671 94 HB3 GLU 78 1HB GLU 78 -0.605 0.931 -9.959 95 HG2 GLU 78 2HG GLU 78 -2.749 1.679 -10.827 96 HG3 GLU 78 1HG GLU 78 -1.957 3.065 -11.580 97 H GLN 79 H GLN 79 -1.459 1.915 -6.663 98 HA GLN 79 HA GLN 79 0.945 2.492 -5.392 99 HB2 GLN 79 2HB GLN 79 -1.316 0.665 -4.724 100 HB3 GLN 79 1HB GLN 79 0.108 0.745 -3.696 101 HG2 GLN 79 2HG GLN 79 -0.244 3.060 -3.279 102 HG3 GLN 79 1HG GLN 79 -1.542 3.133 -4.469 103 HE21 GLN 79 1HE2 GLN 79 -3.524 2.452 -3.908 104 HE22 GLN 79 2HE2 GLN 79 -3.980 2.026 -2.286 105 H SER 80 H SER 80 -0.126 -0.665 -6.653 106 HA SER 80 HA SER 80 2.221 -1.991 -5.852 107 HB2 SER 80 2HB SER 80 0.306 -2.723 -8.087 108 HB3 SER 80 1HB SER 80 1.468 -3.814 -7.323 109 HG SER 80 HG SER 80 -0.953 -2.804 -6.332 110 H ALA 81 H ALA 81 1.352 -0.528 -8.977 111 HA ALA 81 HA ALA 81 3.735 -1.117 -10.300 112 HB1 ALA 81 1HB ALA 81 1.961 1.289 -10.695 113 HB2 ALA 81 2HB ALA 81 1.721 -0.290 -11.446 114 HB3 ALA 81 3HB ALA 81 3.145 0.672 -11.845 115 H ALA 82 H ALA 82 2.847 1.623 -8.222 116 HA ALA 82 HA ALA 82 5.176 3.142 -8.613 117 HB1 ALA 82 1HB ALA 82 3.422 3.067 -6.158 118 HB2 ALA 82 2HB ALA 82 3.133 4.060 -7.581 119 HB3 ALA 82 3HB ALA 82 4.563 4.345 -6.583 120 H ILE 83 H ILE 83 4.404 0.641 -6.232 121 HA ILE 83 HA ILE 83 6.802 0.808 -4.766 122 HB ILE 83 HB ILE 83 5.159 -1.703 -5.294 123 HG12 ILE 83 2HG1 ILE 83 5.024 0.244 -2.977 124 HG13 ILE 83 1HG1 ILE 83 3.839 0.125 -4.268 125 HG21 ILE 83 1HG2 ILE 83 6.173 -2.549 -3.204 126 HG22 ILE 83 2HG2 ILE 83 7.171 -1.096 -3.116 127 HG23 ILE 83 3HG2 ILE 83 7.385 -2.233 -4.449 128 HD11 ILE 83 1HD1 ILE 83 3.055 -0.966 -2.251 129 HD12 ILE 83 2HD1 ILE 83 4.474 -2.013 -2.244 130 HD13 ILE 83 3HD1 ILE 83 3.287 -2.145 -3.541 131 H ARG 84 H ARG 84 5.934 -1.034 -7.633 132 HA ARG 84 HA ARG 84 8.357 -2.430 -7.933 133 HB2 ARG 84 2HB ARG 84 6.254 -1.652 -9.923 134 HB3 ARG 84 1HB ARG 84 7.635 -2.673 -10.312 135 HG2 ARG 84 2HG ARG 84 6.934 -4.325 -8.735 136 HG3 ARG 84 1HG ARG 84 5.647 -3.268 -8.154 137 HD2 ARG 84 2HD ARG 84 4.819 -4.996 -9.661 138 HD3 ARG 84 1HD ARG 84 4.566 -3.367 -10.286 139 HE ARG 84 HE ARG 84 6.905 -4.081 -11.400 140 HH11 ARG 84 1HH1 ARG 84 3.712 -5.618 -11.351 141 HH12 ARG 84 2HH1 ARG 84 3.888 -6.379 -12.859 142 HH21 ARG 84 1HH2 ARG 84 7.134 -5.072 -13.482 143 HH22 ARG 84 2HH2 ARG 84 5.882 -6.073 -14.104 144 H GLU 85 H GLU 85 7.251 0.646 -9.278 145 HA GLU 85 HA GLU 85 9.538 1.154 -10.845 146 HB2 GLU 85 2HB GLU 85 7.538 3.019 -9.622 147 HB3 GLU 85 1HB GLU 85 8.740 3.522 -10.814 148 HG2 GLU 85 2HG GLU 85 7.721 1.895 -12.393 149 HG3 GLU 85 1HG GLU 85 6.478 1.571 -11.183 150 H TRP 86 H TRP 86 8.692 1.956 -7.501 151 HA TRP 86 HA TRP 86 10.866 3.603 -6.914 152 HB2 TRP 86 2HB TRP 86 8.849 3.493 -5.550 153 HB3 TRP 86 1HB TRP 86 9.126 1.793 -5.226 154 HD1 TRP 86 HD TRP 86 10.169 5.260 -4.091 155 HE1 TRP 86 1HE TRP 86 11.513 5.049 -1.936 156 HE3 TRP 86 3HE TRP 86 10.679 0.235 -4.026 157 HZ2 TRP 86 2HZ TRP 86 12.699 2.974 -0.391 158 HZ3 TRP 86 3HZ TRP 86 11.948 -0.828 -2.167 159 HH2 TRP 86 HH TRP 86 12.926 0.531 -0.398 160 H ALA 87 H ALA 87 10.272 0.150 -6.629 161 HA ALA 87 HA ALA 87 12.651 -0.711 -5.508 162 HB1 ALA 87 1HB ALA 87 10.958 -2.096 -7.574 163 HB2 ALA 87 2HB ALA 87 10.684 -2.121 -5.836 164 HB3 ALA 87 3HB ALA 87 12.126 -2.880 -6.515 165 H ARG 88 H ARG 88 11.788 -0.275 -8.892 166 HA ARG 88 HA ARG 88 14.197 -1.127 -10.001 167 HB2 ARG 88 2HB ARG 88 12.277 0.955 -11.068 168 HB3 ARG 88 1HB ARG 88 13.599 0.269 -11.987 169 HG2 ARG 88 2HG ARG 88 11.235 -1.251 -10.909 170 HG3 ARG 88 1HG ARG 88 11.448 -0.721 -12.575 171 HD2 ARG 88 2HD ARG 88 13.557 -2.074 -12.625 172 HD3 ARG 88 1HD ARG 88 13.089 -2.733 -11.054 173 HE ARG 88 HE ARG 88 11.022 -2.961 -12.957 174 HH11 ARG 88 1HH1 ARG 88 14.029 -4.508 -11.881 175 HH12 ARG 88 2HH1 ARG 88 13.713 -5.987 -12.628 176 HH21 ARG 88 1HH2 ARG 88 10.617 -4.999 -14.049 177 HH22 ARG 88 2HH2 ARG 88 11.737 -6.277 -13.890 178 H ARG 89 H ARG 89 13.148 2.074 -8.985 179 HA ARG 89 HA ARG 89 15.385 3.602 -9.777 180 HB2 ARG 89 2HB ARG 89 13.467 4.015 -7.526 181 HB3 ARG 89 1HB ARG 89 14.623 5.211 -8.093 182 HG2 ARG 89 2HG ARG 89 13.563 5.102 -10.311 183 HG3 ARG 89 1HG ARG 89 12.345 4.019 -9.625 184 HD2 ARG 89 2HD ARG 89 11.848 5.722 -7.950 185 HD3 ARG 89 1HD ARG 89 13.025 6.761 -8.770 186 HE ARG 89 HE ARG 89 11.231 5.914 -10.676 187 HH11 ARG 89 1HH1 ARG 89 11.089 7.974 -7.762 188 HH12 ARG 89 2HH1 ARG 89 9.838 8.948 -8.380 189 HH21 ARG 89 1HH2 ARG 89 9.479 7.283 -11.457 190 HH22 ARG 89 2HH2 ARG 89 8.909 8.543 -10.483 191 H ASN 90 H ASN 90 14.671 1.826 -6.877 192 HA ASN 90 HA ASN 90 17.054 2.809 -5.566 193 HB2 ASN 90 2HB ASN 90 14.700 1.236 -4.670 194 HB3 ASN 90 1HB ASN 90 16.138 1.343 -3.637 195 HD21 ASN 90 1HD2 ASN 90 13.462 3.019 -5.064 196 HD22 ASN 90 2HD2 ASN 90 13.568 4.436 -4.099 197 H GLY 91 H GLY 91 16.244 0.163 -7.467 198 HA2 GLY 91 2HA GLY 91 17.887 -1.293 -8.312 199 HA3 GLY 91 1HA GLY 91 18.930 -0.878 -6.958 200 H HIS 92 H HIS 92 15.603 -1.871 -6.707 201 HA HIS 92 HA HIS 92 16.429 -4.183 -5.159 202 HB2 HIS 92 2HB HIS 92 13.851 -2.721 -5.477 203 HB3 HIS 92 1HB HIS 92 13.909 -4.296 -4.693 204 HD1 HIS 92 1HD HIS 92 15.026 -4.348 -2.276 205 HD2 HIS 92 2HD HIS 92 14.838 -0.604 -4.053 206 HE1 HIS 92 1HE HIS 92 15.546 -2.699 -0.467 207 H ASN 93 H ASN 93 15.868 -6.208 -5.720 208 HA ASN 93 HA ASN 93 15.315 -6.532 -8.519 209 HB2 ASN 93 2HB ASN 93 16.176 -8.498 -6.420 210 HB3 ASN 93 1HB ASN 93 15.717 -8.991 -8.047 211 HD21 ASN 93 1HD2 ASN 93 16.987 -8.350 -9.782 212 HD22 ASN 93 2HD2 ASN 93 18.606 -7.832 -9.575 213 H VAL 94 H VAL 94 13.316 -6.189 -8.950 214 HA VAL 94 HA VAL 94 11.368 -8.069 -7.838 215 HB VAL 94 HB VAL 94 10.837 -5.335 -9.078 216 HG11 VAL 94 1HG1 VAL 94 9.039 -6.913 -9.546 217 HG12 VAL 94 2HG1 VAL 94 8.504 -5.690 -8.388 218 HG13 VAL 94 3HG1 VAL 94 8.922 -7.311 -7.831 219 HG21 VAL 94 1HG2 VAL 94 10.583 -6.245 -6.218 220 HG22 VAL 94 2HG2 VAL 94 10.085 -4.670 -6.835 221 HG23 VAL 94 3HG2 VAL 94 11.789 -5.128 -6.847 222 H SER 95 H SER 95 11.035 -9.607 -9.270 223 HA SER 95 HA SER 95 11.897 -9.247 -11.978 224 HB2 SER 95 2HB SER 95 12.356 -11.320 -10.698 225 HB3 SER 95 1HB SER 95 10.623 -11.630 -10.629 226 HG SER 95 HG SER 95 12.298 -12.323 -12.483 227 H THR 96 H THR 96 10.533 -9.625 -13.820 228 HA THR 96 HA THR 96 7.938 -8.480 -13.575 229 HB THR 96 HB THR 96 8.119 -9.052 -16.124 230 HG1 THR 96 1HG THR 96 10.093 -9.605 -16.769 231 HG21 THR 96 1HG2 THR 96 9.930 -7.054 -14.761 232 HG22 THR 96 2HG2 THR 96 8.228 -6.797 -15.156 233 HG23 THR 96 3HG2 THR 96 9.415 -6.988 -16.448 234 H ARG 97 H ARG 97 9.039 -11.445 -12.974 235 HA ARG 97 HA ARG 97 7.276 -13.125 -14.373 236 HB2 ARG 97 2HB ARG 97 8.497 -13.536 -11.635 237 HB3 ARG 97 1HB ARG 97 7.693 -14.786 -12.559 238 HG2 ARG 97 2HG ARG 97 10.276 -13.391 -13.228 239 HG3 ARG 97 1HG ARG 97 10.058 -15.068 -12.733 240 HD2 ARG 97 2HD ARG 97 9.150 -13.788 -15.311 241 HD3 ARG 97 1HD ARG 97 10.427 -14.978 -15.115 242 HE ARG 97 HE ARG 97 7.969 -15.983 -14.137 243 HH11 ARG 97 1HH1 ARG 97 9.793 -15.479 -17.146 244 HH12 ARG 97 2HH1 ARG 97 8.828 -16.526 -18.061 245 HH21 ARG 97 1HH2 ARG 97 6.652 -17.426 -15.393 246 HH22 ARG 97 2HH2 ARG 97 6.972 -17.638 -17.049 247 H GLY 98 H GLY 98 7.059 -11.438 -11.283 248 HA2 GLY 98 2HA GLY 98 4.629 -10.604 -11.111 249 HA3 GLY 98 1HA GLY 98 4.295 -12.328 -11.000 250 H ARG 99 H ARG 99 3.984 -10.056 -9.168 251 HA ARG 99 HA ARG 99 3.738 -9.816 -7.025 252 HB2 ARG 99 2HB ARG 99 5.044 -12.487 -6.789 253 HB3 ARG 99 1HB ARG 99 4.687 -11.529 -5.357 254 HG2 ARG 99 2HG ARG 99 2.698 -12.485 -7.408 255 HG3 ARG 99 1HG ARG 99 2.918 -13.138 -5.782 256 HD2 ARG 99 2HD ARG 99 2.359 -10.872 -4.873 257 HD3 ARG 99 1HD ARG 99 1.983 -10.368 -6.516 258 HE ARG 99 HE ARG 99 0.562 -12.679 -5.913 259 HH11 ARG 99 1HH1 ARG 99 0.601 -9.203 -5.220 260 HH12 ARG 99 2HH1 ARG 99 -1.027 -9.138 -4.738 261 HH21 ARG 99 1HH2 ARG 99 -1.695 -12.582 -5.280 262 HH22 ARG 99 2HH2 ARG 99 -2.370 -11.094 -4.798 263 H ILE 100 H ILE 100 4.443 -8.420 -5.818 264 HA ILE 100 HA ILE 100 7.185 -7.597 -6.038 265 HB ILE 100 HB ILE 100 4.957 -6.469 -4.325 266 HG12 ILE 100 2HG1 ILE 100 5.817 -5.619 -7.099 267 HG13 ILE 100 1HG1 ILE 100 4.351 -6.518 -6.730 268 HG21 ILE 100 1HG2 ILE 100 7.548 -5.247 -5.307 269 HG22 ILE 100 2HG2 ILE 100 7.192 -5.759 -3.655 270 HG23 ILE 100 3HG2 ILE 100 6.302 -4.415 -4.372 271 HD11 ILE 100 1HD1 ILE 100 3.898 -4.170 -7.071 272 HD12 ILE 100 2HD1 ILE 100 5.036 -3.770 -5.780 273 HD13 ILE 100 3HD1 ILE 100 3.547 -4.640 -5.401 274 HA PRO 101 HA PRO 101 8.250 -9.997 -2.402 275 HB2 PRO 101 2HB PRO 101 10.583 -8.184 -2.248 276 HB3 PRO 101 1HB PRO 101 10.551 -9.951 -2.437 277 HG2 PRO 101 2HG PRO 101 11.265 -8.380 -4.451 278 HG3 PRO 101 1HG PRO 101 10.334 -9.873 -4.706 279 HD2 PRO 101 2HD PRO 101 9.367 -7.045 -4.722 280 HD3 PRO 101 1HD PRO 101 8.924 -8.416 -5.761 281 H ALA 102 H ALA 102 7.827 -9.721 -0.316 282 HA ALA 102 HA ALA 102 6.547 -7.447 0.699 283 HB1 ALA 102 1HB ALA 102 6.650 -8.605 2.841 284 HB2 ALA 102 2HB ALA 102 7.857 -9.713 2.194 285 HB3 ALA 102 3HB ALA 102 6.217 -9.725 1.549 286 H ASP 103 H ASP 103 9.846 -8.465 0.733 287 HA ASP 103 HA ASP 103 10.989 -6.768 2.652 288 HB2 ASP 103 2HB ASP 103 12.175 -7.628 0.001 289 HB3 ASP 103 1HB ASP 103 13.076 -7.006 1.372 290 H VAL 104 H VAL 104 10.237 -6.297 -0.742 291 HA VAL 104 HA VAL 104 11.447 -3.713 -0.898 292 HB VAL 104 HB VAL 104 9.552 -5.147 -2.793 293 HG11 VAL 104 1HG1 VAL 104 9.449 -2.706 -3.095 294 HG12 VAL 104 2HG1 VAL 104 10.205 -3.522 -4.464 295 HG13 VAL 104 3HG1 VAL 104 11.207 -2.667 -3.286 296 HG21 VAL 104 1HG2 VAL 104 11.703 -6.262 -2.533 297 HG22 VAL 104 2HG2 VAL 104 12.530 -4.742 -2.900 298 HG23 VAL 104 3HG2 VAL 104 11.554 -5.534 -4.134 299 H ILE 105 H ILE 105 8.231 -5.038 -0.571 300 HA ILE 105 HA ILE 105 6.761 -2.644 -0.646 301 HB ILE 105 HB ILE 105 6.151 -5.174 0.923 302 HG12 ILE 105 2HG1 ILE 105 5.266 -4.340 -1.848 303 HG13 ILE 105 1HG1 ILE 105 6.506 -5.534 -1.498 304 HG21 ILE 105 1HG2 ILE 105 4.308 -2.949 0.038 305 HG22 ILE 105 2HG2 ILE 105 4.810 -3.300 1.695 306 HG23 ILE 105 3HG2 ILE 105 3.817 -4.465 0.806 307 HD11 ILE 105 1HD1 ILE 105 3.584 -5.755 -0.797 308 HD12 ILE 105 2HD1 ILE 105 4.827 -6.958 -0.433 309 HD13 ILE 105 3HD1 ILE 105 4.425 -6.588 -2.107 310 H ASP 106 H ASP 106 8.399 -4.291 2.012 311 HA ASP 106 HA ASP 106 7.487 -2.645 4.127 312 HB2 ASP 106 2HB ASP 106 8.427 -4.863 4.532 313 HB3 ASP 106 1HB ASP 106 9.965 -4.356 3.852 314 H ALA 107 H ALA 107 10.449 -2.718 2.242 315 HA ALA 107 HA ALA 107 11.695 -0.483 3.383 316 HB1 ALA 107 1HB ALA 107 13.124 -0.534 1.413 317 HB2 ALA 107 2HB ALA 107 11.949 -1.578 0.595 318 HB3 ALA 107 3HB ALA 107 12.817 -2.171 2.008 319 H TYR 108 H TYR 108 9.579 -0.806 0.577 320 HA TYR 108 HA TYR 108 9.597 1.806 -0.328 321 HB2 TYR 108 2HB TYR 108 8.566 0.038 -1.634 322 HB3 TYR 108 1HB TYR 108 7.389 -0.234 -0.353 323 HD1 TYR 108 1HD TYR 108 5.431 1.123 -0.155 324 HD2 TYR 108 2HD TYR 108 8.380 2.092 -3.061 325 HE1 TYR 108 1HE TYR 108 3.887 2.708 -1.186 326 HE2 TYR 108 2HE TYR 108 6.858 3.669 -4.098 327 HH TYR 108 HH TYR 108 3.946 4.610 -2.512 328 H HIS 109 H HIS 109 7.329 0.265 1.969 329 HA HIS 109 HA HIS 109 6.112 2.770 2.375 330 HB2 HIS 109 2HB HIS 109 5.684 0.133 3.720 331 HB3 HIS 109 1HB HIS 109 4.903 1.595 4.330 332 HD1 HIS 109 1HD HIS 109 3.512 2.945 2.365 333 HD2 HIS 109 2HD HIS 109 4.302 -1.081 1.737 334 HE1 HIS 109 1HE HIS 109 2.001 2.239 0.497 335 H ALA 110 H ALA 110 8.796 1.324 3.839 336 HA ALA 110 HA ALA 110 8.736 3.039 6.134 337 HB1 ALA 110 1HB ALA 110 9.860 0.859 6.203 338 HB2 ALA 110 2HB ALA 110 10.959 2.173 6.615 339 HB3 ALA 110 3HB ALA 110 11.032 1.430 5.015 340 H ALA 111 H ALA 111 9.889 3.359 2.811 341 HA ALA 111 HA ALA 111 11.610 5.604 3.594 342 HB1 ALA 111 1HB ALA 111 11.280 4.111 1.017 343 HB2 ALA 111 2HB ALA 111 12.582 3.858 2.180 344 HB3 ALA 111 3HB ALA 111 12.454 5.392 1.299 345 H THR 112 H THR 112 8.749 4.691 1.908 346 HA THR 112 HA THR 112 8.359 7.387 0.978 347 HB THR 112 HB THR 112 8.248 4.752 -0.453 348 HG1 THR 112 1HG THR 112 9.763 7.117 -0.755 349 HG21 THR 112 1HG2 THR 112 7.573 6.018 -2.408 350 HG22 THR 112 2HG2 THR 112 7.330 7.452 -1.346 351 HG23 THR 112 3HG2 THR 112 6.393 5.946 -1.093 Start of MODEL 20 1 H MET 65 1HT MET 65 -16.948 24.479 -21.008 2 HA MET 65 HA MET 65 -16.290 22.094 -22.628 3 HB2 MET 65 2HB MET 65 -14.528 23.944 -20.998 4 HB3 MET 65 1HB MET 65 -14.004 22.391 -21.599 5 HG2 MET 65 2HG MET 65 -14.352 23.220 -23.900 6 HG3 MET 65 1HG MET 65 -14.777 24.793 -23.221 7 HE1 MET 65 1HE MET 65 -12.500 24.478 -25.379 8 HE2 MET 65 2HE MET 65 -11.237 25.495 -24.684 9 HE3 MET 65 3HE MET 65 -12.919 26.018 -24.625 10 H SER 66 H SER 66 -14.922 20.647 -20.979 11 HA SER 66 HA SER 66 -16.317 20.692 -18.423 12 HB2 SER 66 2HB SER 66 -17.163 18.801 -19.722 13 HB3 SER 66 1HB SER 66 -15.519 18.267 -20.071 14 HG SER 66 HG SER 66 -16.808 18.350 -17.539 15 H GLY 67 H GLY 67 -14.791 21.609 -17.199 16 HA2 GLY 67 2HA GLY 67 -12.069 20.621 -17.422 17 HA3 GLY 67 1HA GLY 67 -12.588 22.039 -16.502 18 H SER 68 H SER 68 -12.023 18.671 -16.420 19 HA SER 68 HA SER 68 -12.599 18.685 -13.579 20 HB2 SER 68 2HB SER 68 -13.731 16.619 -15.487 21 HB3 SER 68 1HB SER 68 -13.868 16.586 -13.725 22 HG SER 68 HG SER 68 -14.627 18.951 -14.538 23 H GLY 69 H GLY 69 -11.426 17.145 -12.447 24 HA2 GLY 69 2HA GLY 69 -9.532 15.511 -13.960 25 HA3 GLY 69 1HA GLY 69 -8.928 16.609 -12.721 26 H ARG 70 H ARG 70 -11.127 13.935 -13.271 27 HA ARG 70 HA ARG 70 -11.663 13.406 -10.550 28 HB2 ARG 70 2HB ARG 70 -11.834 11.522 -12.906 29 HB3 ARG 70 1HB ARG 70 -12.488 11.198 -11.310 30 HG2 ARG 70 2HG ARG 70 -13.364 13.386 -13.192 31 HG3 ARG 70 1HG ARG 70 -14.247 11.910 -12.798 32 HD2 ARG 70 2HD ARG 70 -14.424 12.649 -10.470 33 HD3 ARG 70 1HD ARG 70 -13.508 14.099 -10.874 34 HE ARG 70 HE ARG 70 -15.959 13.608 -12.328 35 HH11 ARG 70 1HH1 ARG 70 -14.255 15.454 -9.844 36 HH12 ARG 70 2HH1 ARG 70 -15.468 16.657 -9.715 37 HH21 ARG 70 1HH2 ARG 70 -17.627 15.286 -12.107 38 HH22 ARG 70 2HH2 ARG 70 -17.385 16.557 -10.996 39 H GLY 71 H GLY 71 -10.861 12.051 -9.107 40 HA2 GLY 71 2HA GLY 71 -9.174 10.085 -9.007 41 HA3 GLY 71 1HA GLY 71 -8.064 11.362 -9.496 42 H ARG 72 H ARG 72 -8.504 13.448 -8.190 43 HA ARG 72 HA ARG 72 -8.301 14.609 -6.273 44 HB2 ARG 72 2HB ARG 72 -9.991 12.418 -5.036 45 HB3 ARG 72 1HB ARG 72 -9.598 13.943 -4.260 46 HG2 ARG 72 2HG ARG 72 -10.896 15.139 -5.919 47 HG3 ARG 72 1HG ARG 72 -11.211 13.629 -6.784 48 HD2 ARG 72 2HD ARG 72 -12.322 12.735 -4.791 49 HD3 ARG 72 1HD ARG 72 -12.043 14.259 -3.955 50 HE ARG 72 HE ARG 72 -13.425 15.093 -6.053 51 HH11 ARG 72 1HH1 ARG 72 -14.005 12.319 -3.932 52 HH12 ARG 72 2HH1 ARG 72 -15.697 12.349 -4.154 53 HH21 ARG 72 1HH2 ARG 72 -15.781 15.134 -6.312 54 HH22 ARG 72 2HH2 ARG 72 -16.718 13.969 -5.517 55 H GLY 73 H GLY 73 -8.439 11.671 -4.377 56 HA2 GLY 73 2HA GLY 73 -5.522 11.805 -4.060 57 HA3 GLY 73 1HA GLY 73 -6.600 11.606 -2.682 58 H ALA 74 H ALA 74 -7.767 10.106 -5.437 59 HA ALA 74 HA ALA 74 -7.354 7.493 -4.316 60 HB1 ALA 74 1HB ALA 74 -9.471 8.089 -5.434 61 HB2 ALA 74 2HB ALA 74 -8.688 6.708 -6.208 62 HB3 ALA 74 3HB ALA 74 -8.596 8.304 -6.949 63 H ILE 75 H ILE 75 -6.713 5.752 -5.935 64 HA ILE 75 HA ILE 75 -4.024 6.525 -6.734 65 HB ILE 75 HB ILE 75 -5.223 3.821 -6.251 66 HG12 ILE 75 2HG1 ILE 75 -3.421 5.465 -4.482 67 HG13 ILE 75 1HG1 ILE 75 -5.157 5.328 -4.274 68 HG21 ILE 75 1HG2 ILE 75 -2.858 3.053 -6.169 69 HG22 ILE 75 2HG2 ILE 75 -2.333 4.689 -6.567 70 HG23 ILE 75 3HG2 ILE 75 -3.260 3.754 -7.738 71 HD11 ILE 75 1HD1 ILE 75 -3.974 3.910 -2.723 72 HD12 ILE 75 2HD1 ILE 75 -3.168 3.084 -4.064 73 HD13 ILE 75 3HD1 ILE 75 -4.921 2.950 -3.859 74 H ASP 76 H ASP 76 -4.057 7.108 -8.658 75 HA ASP 76 HA ASP 76 -5.652 5.874 -10.763 76 HB2 ASP 76 2HB ASP 76 -5.363 8.262 -10.970 77 HB3 ASP 76 1HB ASP 76 -3.613 8.119 -10.892 78 H ARG 77 H ARG 77 -2.159 6.380 -10.293 79 HA ARG 77 HA ARG 77 -1.717 3.979 -11.862 80 HB2 ARG 77 2HB ARG 77 0.226 6.031 -10.787 81 HB3 ARG 77 1HB ARG 77 0.690 4.592 -11.692 82 HG2 ARG 77 2HG ARG 77 -0.571 5.347 -13.601 83 HG3 ARG 77 1HG ARG 77 -1.110 6.761 -12.699 84 HD2 ARG 77 2HD ARG 77 1.252 7.478 -12.512 85 HD3 ARG 77 1HD ARG 77 1.725 6.080 -13.478 86 HE ARG 77 HE ARG 77 -0.260 7.735 -14.700 87 HH11 ARG 77 1HH1 ARG 77 3.225 7.184 -14.352 88 HH12 ARG 77 2HH1 ARG 77 3.629 8.082 -15.736 89 HH21 ARG 77 1HH2 ARG 77 0.321 8.960 -16.613 90 HH22 ARG 77 2HH2 ARG 77 1.955 9.092 -17.041 91 H GLU 78 H GLU 78 -1.390 2.182 -10.982 92 HA GLU 78 HA GLU 78 -2.080 1.578 -8.414 93 HB2 GLU 78 2HB GLU 78 -0.445 0.010 -10.362 94 HB3 GLU 78 1HB GLU 78 -1.073 -0.658 -8.865 95 HG2 GLU 78 2HG GLU 78 -3.314 -0.177 -9.559 96 HG3 GLU 78 1HG GLU 78 -2.733 0.565 -11.045 97 H GLN 79 H GLN 79 -1.113 0.867 -6.604 98 HA GLN 79 HA GLN 79 1.226 2.098 -5.734 99 HB2 GLN 79 2HB GLN 79 -0.233 -0.291 -4.635 100 HB3 GLN 79 1HB GLN 79 1.056 0.564 -3.805 101 HG2 GLN 79 2HG GLN 79 -1.559 1.787 -4.640 102 HG3 GLN 79 1HG GLN 79 -1.163 1.156 -3.045 103 HE21 GLN 79 1HE2 GLN 79 -1.508 3.123 -2.067 104 HE22 GLN 79 2HE2 GLN 79 -0.438 4.469 -2.223 105 H SER 80 H SER 80 0.467 -1.108 -6.960 106 HA SER 80 HA SER 80 2.884 -2.428 -6.628 107 HB2 SER 80 2HB SER 80 1.059 -2.643 -9.025 108 HB3 SER 80 1HB SER 80 2.058 -3.910 -8.305 109 HG SER 80 HG SER 80 0.748 -3.875 -6.483 110 H ALA 81 H ALA 81 1.797 -0.329 -9.280 111 HA ALA 81 HA ALA 81 4.104 -0.538 -10.869 112 HB1 ALA 81 1HB ALA 81 1.948 0.309 -11.709 113 HB2 ALA 81 2HB ALA 81 3.264 1.449 -12.001 114 HB3 ALA 81 3HB ALA 81 2.123 1.727 -10.680 115 H ALA 82 H ALA 82 3.100 1.723 -8.373 116 HA ALA 82 HA ALA 82 5.306 3.459 -8.532 117 HB1 ALA 82 1HB ALA 82 3.529 2.911 -6.158 118 HB2 ALA 82 2HB ALA 82 3.192 4.059 -7.453 119 HB3 ALA 82 3HB ALA 82 4.570 4.317 -6.380 120 H ILE 83 H ILE 83 4.718 0.602 -6.494 121 HA ILE 83 HA ILE 83 7.103 0.752 -4.991 122 HB ILE 83 HB ILE 83 5.605 -1.784 -5.785 123 HG12 ILE 83 2HG1 ILE 83 5.370 -0.115 -3.268 124 HG13 ILE 83 1HG1 ILE 83 4.192 -0.130 -4.572 125 HG21 ILE 83 1HG2 ILE 83 6.681 -2.774 -3.791 126 HG22 ILE 83 2HG2 ILE 83 7.563 -1.269 -3.543 127 HG23 ILE 83 3HG2 ILE 83 7.876 -2.242 -4.981 128 HD11 ILE 83 1HD1 ILE 83 3.747 -2.502 -4.121 129 HD12 ILE 83 2HD1 ILE 83 3.450 -1.488 -2.711 130 HD13 ILE 83 3HD1 ILE 83 4.920 -2.455 -2.802 131 H ARG 84 H ARG 84 6.358 -0.766 -8.083 132 HA ARG 84 HA ARG 84 8.882 -1.916 -8.509 133 HB2 ARG 84 2HB ARG 84 6.730 -1.045 -10.401 134 HB3 ARG 84 1HB ARG 84 8.222 -1.793 -10.951 135 HG2 ARG 84 2HG ARG 84 7.741 -3.775 -9.651 136 HG3 ARG 84 1HG ARG 84 6.286 -3.010 -9.011 137 HD2 ARG 84 2HD ARG 84 5.816 -4.572 -10.817 138 HD3 ARG 84 1HD ARG 84 5.326 -2.916 -11.194 139 HE ARG 84 HE ARG 84 7.817 -3.097 -12.248 140 HH11 ARG 84 1HH1 ARG 84 4.990 -5.183 -12.596 141 HH12 ARG 84 2HH1 ARG 84 5.252 -5.536 -14.232 142 HH21 ARG 84 1HH2 ARG 84 8.224 -3.598 -14.503 143 HH22 ARG 84 2HH2 ARG 84 7.159 -4.627 -15.334 144 H GLU 85 H GLU 85 7.536 1.228 -9.501 145 HA GLU 85 HA GLU 85 9.817 2.176 -10.803 146 HB2 GLU 85 2HB GLU 85 7.684 3.657 -9.301 147 HB3 GLU 85 1HB GLU 85 8.945 4.469 -10.218 148 HG2 GLU 85 2HG GLU 85 8.124 3.215 -12.232 149 HG3 GLU 85 1HG GLU 85 6.763 2.678 -11.240 150 H TRP 86 H TRP 86 8.887 2.407 -7.376 151 HA TRP 86 HA TRP 86 11.035 3.992 -6.555 152 HB2 TRP 86 2HB TRP 86 9.033 3.723 -5.209 153 HB3 TRP 86 1HB TRP 86 9.302 1.991 -5.092 154 HD1 TRP 86 HD TRP 86 10.428 5.310 -3.584 155 HE1 TRP 86 1HE TRP 86 11.812 4.832 -1.481 156 HE3 TRP 86 3HE TRP 86 10.811 0.275 -4.060 157 HZ2 TRP 86 2HZ TRP 86 12.938 2.572 -0.180 158 HZ3 TRP 86 3HZ TRP 86 12.075 -1.000 -2.327 159 HH2 TRP 86 HH TRP 86 13.103 0.138 -0.447 160 H ALA 87 H ALA 87 10.529 0.524 -6.748 161 HA ALA 87 HA ALA 87 12.927 -0.340 -5.650 162 HB1 ALA 87 1HB ALA 87 11.058 -1.820 -6.086 163 HB2 ALA 87 2HB ALA 87 12.514 -2.417 -6.892 164 HB3 ALA 87 3HB ALA 87 11.265 -1.598 -7.820 165 H ARG 88 H ARG 88 12.079 0.349 -9.000 166 HA ARG 88 HA ARG 88 14.672 -0.229 -9.970 167 HB2 ARG 88 2HB ARG 88 12.379 1.264 -11.253 168 HB3 ARG 88 1HB ARG 88 13.900 0.960 -12.072 169 HG2 ARG 88 2HG ARG 88 12.040 -1.177 -11.021 170 HG3 ARG 88 1HG ARG 88 12.163 -0.665 -12.706 171 HD2 ARG 88 2HD ARG 88 14.558 -1.328 -12.681 172 HD3 ARG 88 1HD ARG 88 14.342 -1.917 -11.037 173 HE ARG 88 HE ARG 88 12.465 -3.269 -12.444 174 HH11 ARG 88 1HH1 ARG 88 15.971 -2.844 -12.867 175 HH12 ARG 88 2HH1 ARG 88 16.190 -4.393 -13.553 176 HH21 ARG 88 1HH2 ARG 88 12.847 -5.409 -13.401 177 HH22 ARG 88 2HH2 ARG 88 14.431 -5.855 -13.857 178 H ARG 89 H ARG 89 13.250 2.657 -8.697 179 HA ARG 89 HA ARG 89 15.332 4.448 -9.465 180 HB2 ARG 89 2HB ARG 89 13.301 4.556 -7.237 181 HB3 ARG 89 1HB ARG 89 14.484 5.822 -7.496 182 HG2 ARG 89 2HG ARG 89 12.394 4.959 -9.488 183 HG3 ARG 89 1HG ARG 89 12.282 6.369 -8.430 184 HD2 ARG 89 2HD ARG 89 14.412 7.183 -9.447 185 HD3 ARG 89 1HD ARG 89 14.292 5.873 -10.614 186 HE ARG 89 HE ARG 89 11.958 6.985 -10.979 187 HH11 ARG 89 1HH1 ARG 89 15.117 8.555 -10.554 188 HH12 ARG 89 2HH1 ARG 89 14.714 9.941 -11.437 189 HH21 ARG 89 1HH2 ARG 89 11.414 8.907 -12.225 190 HH22 ARG 89 2HH2 ARG 89 12.559 10.146 -12.432 191 H ASN 90 H ASN 90 14.838 2.325 -6.760 192 HA ASN 90 HA ASN 90 17.199 3.332 -5.392 193 HB2 ASN 90 2HB ASN 90 15.025 1.438 -4.648 194 HB3 ASN 90 1HB ASN 90 16.496 1.510 -3.664 195 HD21 ASN 90 1HD2 ASN 90 13.653 3.188 -4.737 196 HD22 ASN 90 2HD2 ASN 90 13.684 4.441 -3.563 197 H GLY 91 H GLY 91 16.393 0.761 -7.454 198 HA2 GLY 91 2HA GLY 91 18.096 -0.416 -8.602 199 HA3 GLY 91 1HA GLY 91 19.141 -0.218 -7.207 200 H HIS 92 H HIS 92 15.820 -1.259 -6.934 201 HA HIS 92 HA HIS 92 16.707 -3.876 -5.995 202 HB2 HIS 92 2HB HIS 92 14.107 -2.376 -5.744 203 HB3 HIS 92 1HB HIS 92 14.292 -4.050 -5.242 204 HD1 HIS 92 1HD HIS 92 15.363 -4.404 -2.880 205 HD2 HIS 92 2HD HIS 92 15.336 -0.479 -4.206 206 HE1 HIS 92 1HE HIS 92 15.962 -3.020 -0.889 207 H ASN 93 H ASN 93 16.618 -5.431 -7.486 208 HA ASN 93 HA ASN 93 14.923 -5.036 -9.805 209 HB2 ASN 93 2HB ASN 93 16.902 -7.257 -9.202 210 HB3 ASN 93 1HB ASN 93 15.943 -7.145 -10.672 211 HD21 ASN 93 1HD2 ASN 93 18.814 -7.161 -10.408 212 HD22 ASN 93 2HD2 ASN 93 19.371 -5.700 -11.119 213 H VAL 94 H VAL 94 12.921 -5.174 -8.913 214 HA VAL 94 HA VAL 94 12.070 -7.274 -7.298 215 HB VAL 94 HB VAL 94 9.768 -6.401 -7.805 216 HG11 VAL 94 1HG1 VAL 94 10.102 -4.334 -6.571 217 HG12 VAL 94 2HG1 VAL 94 11.850 -4.502 -6.805 218 HG13 VAL 94 3HG1 VAL 94 10.955 -5.708 -5.875 219 HG21 VAL 94 1HG2 VAL 94 11.313 -4.339 -9.369 220 HG22 VAL 94 2HG2 VAL 94 9.638 -4.185 -8.855 221 HG23 VAL 94 3HG2 VAL 94 10.091 -5.461 -9.987 222 H SER 95 H SER 95 10.785 -8.974 -7.648 223 HA SER 95 HA SER 95 11.032 -10.285 -10.131 224 HB2 SER 95 2HB SER 95 11.027 -11.519 -7.975 225 HB3 SER 95 1HB SER 95 9.367 -10.994 -7.703 226 HG SER 95 HG SER 95 9.552 -13.103 -8.574 227 H THR 96 H THR 96 9.759 -10.089 -11.797 228 HA THR 96 HA THR 96 7.080 -9.020 -11.485 229 HB THR 96 HB THR 96 7.287 -8.974 -14.049 230 HG1 THR 96 1HG THR 96 9.403 -9.063 -14.814 231 HG21 THR 96 1HG2 THR 96 9.168 -7.343 -12.351 232 HG22 THR 96 2HG2 THR 96 7.463 -6.994 -12.632 233 HG23 THR 96 3HG2 THR 96 8.614 -6.895 -13.965 234 H ARG 97 H ARG 97 8.356 -11.760 -10.992 235 HA ARG 97 HA ARG 97 6.611 -13.364 -12.666 236 HB2 ARG 97 2HB ARG 97 9.037 -14.130 -11.004 237 HB3 ARG 97 1HB ARG 97 7.985 -15.304 -11.766 238 HG2 ARG 97 2HG ARG 97 9.965 -15.042 -13.098 239 HG3 ARG 97 1HG ARG 97 8.603 -14.365 -13.979 240 HD2 ARG 97 2HD ARG 97 10.555 -12.941 -14.225 241 HD3 ARG 97 1HD ARG 97 9.322 -12.104 -13.286 242 HE ARG 97 HE ARG 97 11.070 -13.413 -11.522 243 HH11 ARG 97 1HH1 ARG 97 10.983 -10.559 -13.647 244 HH12 ARG 97 2HH1 ARG 97 12.316 -9.812 -12.912 245 HH21 ARG 97 1HH2 ARG 97 12.799 -12.369 -10.481 246 HH22 ARG 97 2HH2 ARG 97 13.366 -10.855 -11.007 247 H GLY 98 H GLY 98 4.711 -13.134 -11.605 248 HA2 GLY 98 2HA GLY 98 3.287 -14.111 -9.965 249 HA3 GLY 98 1HA GLY 98 4.648 -14.101 -8.842 250 H ARG 99 H ARG 99 4.994 -12.378 -7.580 251 HA ARG 99 HA ARG 99 3.704 -9.858 -8.236 252 HB2 ARG 99 2HB ARG 99 3.360 -11.271 -5.589 253 HB3 ARG 99 1HB ARG 99 2.983 -9.581 -5.842 254 HG2 ARG 99 2HG ARG 99 1.314 -10.299 -7.564 255 HG3 ARG 99 1HG ARG 99 1.629 -11.967 -7.082 256 HD2 ARG 99 2HD ARG 99 -0.335 -11.103 -5.940 257 HD3 ARG 99 1HD ARG 99 0.964 -11.415 -4.785 258 HE ARG 99 HE ARG 99 1.057 -8.748 -5.693 259 HH11 ARG 99 1HH1 ARG 99 -0.777 -10.832 -3.496 260 HH12 ARG 99 2HH1 ARG 99 -1.274 -9.579 -2.470 261 HH21 ARG 99 1HH2 ARG 99 0.329 -6.991 -4.290 262 HH22 ARG 99 2HH2 ARG 99 -0.656 -7.348 -2.945 263 H ILE 100 H ILE 100 4.397 -8.213 -6.499 264 HA ILE 100 HA ILE 100 7.212 -8.009 -6.650 265 HB ILE 100 HB ILE 100 5.191 -6.351 -5.096 266 HG12 ILE 100 2HG1 ILE 100 6.380 -5.891 -7.835 267 HG13 ILE 100 1HG1 ILE 100 4.756 -6.488 -7.528 268 HG21 ILE 100 1HG2 ILE 100 8.022 -5.670 -5.906 269 HG22 ILE 100 2HG2 ILE 100 7.442 -5.963 -4.261 270 HG23 ILE 100 3HG2 ILE 100 6.871 -4.559 -5.162 271 HD11 ILE 100 1HD1 ILE 100 4.749 -4.138 -8.075 272 HD12 ILE 100 2HD1 ILE 100 5.846 -3.806 -6.736 273 HD13 ILE 100 3HD1 ILE 100 4.209 -4.383 -6.415 274 HA PRO 101 HA PRO 101 8.306 -10.272 -2.943 275 HB2 PRO 101 2HB PRO 101 10.585 -8.398 -2.768 276 HB3 PRO 101 1HB PRO 101 10.597 -10.166 -2.911 277 HG2 PRO 101 2HG PRO 101 11.298 -8.593 -4.937 278 HG3 PRO 101 1HG PRO 101 10.477 -10.147 -5.179 279 HD2 PRO 101 2HD PRO 101 9.404 -7.397 -5.407 280 HD3 PRO 101 1HD PRO 101 8.980 -8.875 -6.297 281 H ALA 102 H ALA 102 7.628 -9.997 -0.940 282 HA ALA 102 HA ALA 102 6.488 -7.714 0.122 283 HB1 ALA 102 1HB ALA 102 6.482 -8.883 2.264 284 HB2 ALA 102 2HB ALA 102 7.661 -10.039 1.643 285 HB3 ALA 102 3HB ALA 102 6.040 -9.977 0.952 286 H ASP 103 H ASP 103 9.768 -8.846 0.337 287 HA ASP 103 HA ASP 103 10.845 -7.166 2.283 288 HB2 ASP 103 2HB ASP 103 12.088 -9.017 1.157 289 HB3 ASP 103 1HB ASP 103 12.153 -8.047 -0.304 290 H VAL 104 H VAL 104 10.327 -6.547 -1.152 291 HA VAL 104 HA VAL 104 11.505 -3.937 -0.944 292 HB VAL 104 HB VAL 104 10.036 -5.281 -3.247 293 HG11 VAL 104 1HG1 VAL 104 11.557 -2.666 -3.243 294 HG12 VAL 104 2HG1 VAL 104 9.801 -2.810 -3.335 295 HG13 VAL 104 3HG1 VAL 104 10.807 -3.432 -4.644 296 HG21 VAL 104 1HG2 VAL 104 12.259 -5.412 -4.242 297 HG22 VAL 104 2HG2 VAL 104 12.236 -6.228 -2.669 298 HG23 VAL 104 3HG2 VAL 104 12.931 -4.612 -2.832 299 H ILE 105 H ILE 105 8.341 -5.363 -0.940 300 HA ILE 105 HA ILE 105 6.864 -2.975 -1.154 301 HB ILE 105 HB ILE 105 6.093 -5.542 0.276 302 HG12 ILE 105 2HG1 ILE 105 5.486 -4.580 -2.533 303 HG13 ILE 105 1HG1 ILE 105 6.656 -5.822 -2.110 304 HG21 ILE 105 1HG2 ILE 105 3.767 -4.758 -0.022 305 HG22 ILE 105 2HG2 ILE 105 4.381 -3.224 -0.655 306 HG23 ILE 105 3HG2 ILE 105 4.705 -3.678 1.010 307 HD11 ILE 105 1HD1 ILE 105 4.614 -6.776 -2.958 308 HD12 ILE 105 2HD1 ILE 105 3.684 -5.974 -1.684 309 HD13 ILE 105 3HD1 ILE 105 4.852 -7.232 -1.270 310 H ASP 106 H ASP 106 8.160 -4.704 1.703 311 HA ASP 106 HA ASP 106 7.053 -2.837 3.535 312 HB2 ASP 106 2HB ASP 106 9.185 -4.943 3.828 313 HB3 ASP 106 1HB ASP 106 8.819 -3.824 5.134 314 H ALA 107 H ALA 107 10.138 -3.186 1.938 315 HA ALA 107 HA ALA 107 11.464 -1.080 3.233 316 HB1 ALA 107 1HB ALA 107 12.993 -1.102 1.327 317 HB2 ALA 107 2HB ALA 107 11.819 -2.042 0.400 318 HB3 ALA 107 3HB ALA 107 12.588 -2.752 1.816 319 H TYR 108 H TYR 108 9.406 -1.151 0.390 320 HA TYR 108 HA TYR 108 9.582 1.518 -0.390 321 HB2 TYR 108 2HB TYR 108 8.551 -0.110 -1.834 322 HB3 TYR 108 1HB TYR 108 7.321 -0.476 -0.632 323 HD1 TYR 108 1HD TYR 108 8.521 2.121 -2.971 324 HD2 TYR 108 2HD TYR 108 5.309 0.789 -0.538 325 HE1 TYR 108 1HE TYR 108 7.071 3.771 -4.014 326 HE2 TYR 108 2HE TYR 108 3.829 2.453 -1.565 327 HH TYR 108 HH TYR 108 4.674 4.199 -4.375 328 H HIS 109 H HIS 109 7.141 -0.054 1.678 329 HA HIS 109 HA HIS 109 5.871 2.386 2.218 330 HB2 HIS 109 2HB HIS 109 5.574 -0.279 3.603 331 HB3 HIS 109 1HB HIS 109 4.630 1.141 4.041 332 HD1 HIS 109 1HD HIS 109 3.391 2.208 1.631 333 HD2 HIS 109 2HD HIS 109 4.199 -1.852 1.939 334 HE1 HIS 109 1HE HIS 109 1.867 1.072 -0.013 335 H ALA 110 H ALA 110 8.565 0.873 3.697 336 HA ALA 110 HA ALA 110 8.486 2.450 6.084 337 HB1 ALA 110 1HB ALA 110 10.740 1.600 6.489 338 HB2 ALA 110 2HB ALA 110 10.800 0.956 4.850 339 HB3 ALA 110 3HB ALA 110 9.659 0.286 6.016 340 H ALA 111 H ALA 111 10.231 2.611 3.003 341 HA ALA 111 HA ALA 111 11.773 4.873 3.715 342 HB1 ALA 111 1HB ALA 111 11.161 3.805 0.971 343 HB2 ALA 111 2HB ALA 111 12.479 3.272 2.011 344 HB3 ALA 111 3HB ALA 111 12.452 4.928 1.394 345 H THR 112 H THR 112 8.855 4.567 1.660 346 HA THR 112 HA THR 112 8.803 7.463 1.759 347 HB THR 112 HB THR 112 8.899 6.605 -0.542 348 HG1 THR 112 1HG THR 112 7.822 8.310 -0.897 349 HG21 THR 112 1HG2 THR 112 7.812 4.441 -0.280 350 HG22 THR 112 2HG2 THR 112 7.024 5.365 -1.559 351 HG23 THR 112 3HG2 THR 112 6.271 5.237 0.029
Contact the webmaster for help, if required. Wednesday, May 8, 2024 4:22:05 AM GMT (wattos1)