NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
594036 | 2mwj | 25331 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 H1 THR 1 -8.518 6.051 2.548 2 H2 THR 1 H2 THR 1 -7.217 6.793 1.739 3 H3 THR 1 H3 THR 1 -7.190 6.595 3.454 4 HA THR 1 HA THR 1 -6.031 4.688 2.915 5 HB THR 1 HB THR 1 -7.883 2.796 2.167 6 HG21 THR 1 HG21 THR 1 -8.751 2.677 4.471 7 HG22 THR 1 HG22 THR 1 -8.052 4.294 4.872 8 HG23 THR 1 HG23 THR 1 -6.995 2.908 4.425 9 H GLN 2 H GLN 2 -5.602 2.825 1.233 10 HA GLN 2 HA GLN 2 -5.303 4.018 -1.393 11 HB2 GLN 2 HB2 GLN 2 -3.515 2.702 0.208 12 HB3 GLN 2 HB3 GLN 2 -4.420 1.271 -0.324 13 HG2 GLN 2 HG2 GLN 2 -2.364 1.542 -1.657 14 HG3 GLN 2 HG3 GLN 2 -3.775 1.726 -2.728 15 HE21 GLN 2 HE21 GLN 2 -3.108 4.342 -0.588 16 HE22 GLN 2 HE22 GLN 2 -2.234 5.335 -1.656 17 H SER 3 H SER 3 -5.596 2.419 -3.324 18 HA SER 3 HA SER 3 -8.017 0.910 -3.079 19 HB2 SER 3 HB2 SER 3 -6.334 0.503 -5.521 20 HB3 SER 3 HB3 SER 3 -8.037 1.151 -5.373 21 H HIS 4 H HIS 4 -7.816 -1.307 -4.522 22 HA HIS 4 HA HIS 4 -6.235 -3.106 -2.911 23 HB2 HIS 4 HB2 HIS 4 -8.545 -3.598 -4.037 24 HB3 HIS 4 HB3 HIS 4 -7.640 -3.800 -5.575 25 HD1 HIS 4 HD1 HIS 4 -9.140 -6.189 -4.561 26 HD2 HIS 4 HD2 HIS 4 -5.334 -5.351 -3.001 27 HE1 HIS 4 HE1 HIS 4 -8.267 -8.325 -3.539 28 HE2 HIS 4 HE2 HIS 4 -6.259 -7.508 -2.215 29 H TYR 5 H TYR 5 -4.192 -3.685 -3.259 30 HA TYR 5 HA TYR 5 -2.354 -4.269 -4.096 31 HB2 TYR 5 HB2 TYR 5 -3.308 -3.827 -6.969 32 HB3 TYR 5 HB3 TYR 5 -1.897 -4.800 -6.422 33 HD1 TYR 5 HD1 TYR 5 -2.378 -6.828 -4.849 34 HD2 TYR 5 HD2 TYR 5 -5.407 -4.829 -7.144 35 HE1 TYR 5 HE1 TYR 5 -3.835 -8.819 -4.656 36 HE2 TYR 5 HE2 TYR 5 -6.878 -6.820 -6.937 37 HH TYR 5 HH TYR 5 -5.845 -9.721 -5.141 38 H GLY 6 H GLY 6 -3.457 -1.359 -3.878 39 HA2 GLY 6 HA2 GLY 6 -1.507 0.176 -5.374 40 HA3 GLY 6 HA3 GLY 6 -2.645 0.750 -4.114 41 H GLN 7 H GLN 7 -0.296 1.970 -3.851 42 HA GLN 7 HA GLN 7 1.447 0.282 -2.196 43 HB2 GLN 7 HB2 GLN 7 2.385 1.587 -4.043 44 HB3 GLN 7 HB3 GLN 7 1.754 3.098 -3.341 45 HG2 GLN 7 HG2 GLN 7 3.258 2.900 -1.379 46 HG3 GLN 7 HG3 GLN 7 3.721 1.226 -1.849 47 HE21 GLN 7 HE21 GLN 7 5.942 1.876 -1.894 48 HE22 GLN 7 HE22 GLN 7 6.559 2.830 -3.238 49 H CYS 8 H CYS 8 1.744 0.641 0.074 50 HA CYS 8 HA CYS 8 0.295 3.029 1.181 51 HB2 CYS 8 HB2 CYS 8 -0.227 1.687 3.228 52 HB3 CYS 8 HB3 CYS 8 -1.038 1.163 1.746 53 H GLY 9 H GLY 9 3.301 1.499 0.867 54 HA2 GLY 9 HA2 GLY 9 4.488 3.411 2.691 55 HA3 GLY 9 HA3 GLY 9 4.482 1.702 3.283 56 H GLY 10 H GLY 10 6.118 4.002 1.216 57 HA2 GLY 10 HA2 GLY 10 8.125 1.942 0.787 58 HA3 GLY 10 HA3 GLY 10 7.401 2.701 -0.692 59 H ILE 11 H ILE 11 10.139 3.008 0.086 60 HA ILE 11 HA ILE 11 10.556 5.424 1.419 61 HB ILE 11 HB ILE 11 12.059 3.864 -0.693 62 HG12 ILE 11 HG12 ILE 11 11.767 3.118 1.814 63 HG13 ILE 11 HG13 ILE 11 13.399 3.094 1.112 64 HG21 ILE 11 HG21 ILE 11 12.810 6.112 -1.208 65 HG22 ILE 11 HG22 ILE 11 14.068 5.424 -0.127 66 HG23 ILE 11 HG23 ILE 11 12.854 6.584 0.526 67 HD11 ILE 11 HD11 ILE 11 12.462 5.570 2.666 68 HD12 ILE 11 HD12 ILE 11 14.136 5.010 2.304 69 HD13 ILE 11 HD13 ILE 11 13.131 4.119 3.500 70 H GLY 12 H GLY 12 9.843 4.870 -2.008 71 HA2 GLY 12 HA2 GLY 12 9.622 7.798 -2.449 72 HA3 GLY 12 HA3 GLY 12 9.691 6.502 -3.698 73 H TYR 13 H TYR 13 7.657 7.126 -0.763 74 HA TYR 13 HA TYR 13 5.339 7.026 -2.567 75 HB2 TYR 13 HB2 TYR 13 5.722 4.747 -1.545 76 HB3 TYR 13 HB3 TYR 13 5.643 5.503 0.092 77 HD1 TYR 13 HD1 TYR 13 3.714 5.699 -3.141 78 HD2 TYR 13 HD2 TYR 13 3.570 5.234 1.149 79 HE1 TYR 13 HE1 TYR 13 1.244 5.653 -3.223 80 HE2 TYR 13 HE2 TYR 13 1.087 5.210 1.039 81 HH TYR 13 HH TYR 13 -0.510 4.417 -1.074 82 H SER 14 H SER 14 3.719 8.418 -2.149 83 HA SER 14 HA SER 14 3.701 9.852 0.431 84 HB2 SER 14 HB2 SER 14 3.142 11.992 -0.944 85 HB3 SER 14 HB3 SER 14 4.839 11.413 -0.998 86 HG SER 14 HG SER 14 4.565 10.680 -3.013 87 H GLY 15 H GLY 15 1.843 8.177 -1.905 88 HA2 GLY 15 HA2 GLY 15 -0.617 9.525 -1.593 89 HA3 GLY 15 HA3 GLY 15 -0.335 7.817 -2.086 90 HA PRO 16 HA PRO 16 -2.658 8.044 1.956 91 HB2 PRO 16 HB2 PRO 16 -4.056 5.681 0.702 92 HB3 PRO 16 HB3 PRO 16 -4.779 7.128 1.512 93 HG2 PRO 16 HG2 PRO 16 -4.472 6.569 -1.341 94 HG3 PRO 16 HG3 PRO 16 -5.120 8.078 -0.626 95 HD2 PRO 16 HD2 PRO 16 -2.603 7.713 -1.993 96 HD3 PRO 16 HD3 PRO 16 -3.122 9.191 -1.065 97 H THR 17 H THR 17 -1.846 7.089 3.767 98 HA THR 17 HA THR 17 0.014 4.955 3.406 99 HB THR 17 HB THR 17 0.486 5.538 5.853 100 HG1 THR 17 HG1 THR 17 -0.549 7.574 6.391 101 HG21 THR 17 HG21 THR 17 0.289 7.963 3.912 102 HG22 THR 17 HG22 THR 17 1.568 6.707 3.836 103 HG23 THR 17 HG23 THR 17 1.424 7.756 5.292 104 H VAL 18 H VAL 18 -3.132 4.750 3.707 105 HA VAL 18 HA VAL 18 -3.128 2.410 5.539 106 HB VAL 18 HB VAL 18 -5.515 4.294 5.107 107 HG11 VAL 18 HG11 VAL 18 -6.576 3.064 6.876 108 HG12 VAL 18 HG12 VAL 18 -5.025 2.408 7.499 109 HG13 VAL 18 HG13 VAL 18 -5.762 1.743 6.002 110 HG21 VAL 18 HG21 VAL 18 -4.160 5.793 6.263 111 HG22 VAL 18 HG22 VAL 18 -3.218 4.497 7.081 112 HG23 VAL 18 HG23 VAL 18 -4.879 4.884 7.644 113 H CYS 19 H CYS 19 -4.551 0.670 4.689 114 HA CYS 19 HA CYS 19 -4.808 0.824 1.777 115 HB2 CYS 19 HB2 CYS 19 -4.814 -1.394 3.864 116 HB3 CYS 19 HB3 CYS 19 -5.134 -1.727 2.148 117 H ALA 20 H ALA 20 -6.664 0.008 0.673 118 HA ALA 20 HA ALA 20 -8.922 1.211 0.933 119 HB1 ALA 20 HB1 ALA 20 -9.217 -1.655 0.021 120 HB2 ALA 20 HB2 ALA 20 -8.166 -0.539 -0.890 121 HB3 ALA 20 HB3 ALA 20 -9.899 -0.140 -0.673 122 H SER 21 H SER 21 -11.228 0.679 1.560 123 HA SER 21 HA SER 21 -11.130 -0.148 4.278 124 HB2 SER 21 HB2 SER 21 -12.711 1.587 3.271 125 HB3 SER 21 HB3 SER 21 -13.670 0.228 2.590 126 HG SER 21 HG SER 21 -13.660 -0.579 4.856 127 H GLY 22 H GLY 22 -10.882 -2.034 1.736 128 HA2 GLY 22 HA2 GLY 22 -11.771 -4.462 3.102 129 HA3 GLY 22 HA3 GLY 22 -12.014 -4.236 1.330 130 H THR 23 H THR 23 -9.025 -2.837 2.507 131 HA THR 23 HA THR 23 -7.601 -5.269 1.655 132 HB THR 23 HB THR 23 -5.943 -4.092 0.326 133 HG1 THR 23 HG1 THR 23 -7.351 -1.941 1.154 134 HG21 THR 23 HG21 THR 23 -7.959 -2.992 -1.389 135 HG22 THR 23 HG22 THR 23 -8.725 -4.408 -0.564 136 HG23 THR 23 HG23 THR 23 -7.185 -4.606 -1.448 137 H THR 24 H THR 24 -5.417 -5.398 2.444 138 HA THR 24 HA THR 24 -5.015 -3.806 4.932 139 HB THR 24 HB THR 24 -3.556 -6.424 4.762 140 HG1 THR 24 HG1 THR 24 -6.061 -6.407 3.965 141 HG21 THR 24 HG21 THR 24 -5.574 -5.135 6.728 142 HG22 THR 24 HG22 THR 24 -3.773 -4.961 6.850 143 HG23 THR 24 HG23 THR 24 -4.551 -6.579 7.048 144 H CYS 25 H CYS 25 -2.914 -2.979 5.529 145 HA CYS 25 HA CYS 25 -1.087 -2.708 3.266 146 HB2 CYS 25 HB2 CYS 25 -1.606 -0.659 4.723 147 HB3 CYS 25 HB3 CYS 25 -0.834 -1.493 6.082 148 H GLN 26 H GLN 26 -0.042 -4.540 2.864 149 HA GLN 26 HA GLN 26 1.478 -5.673 5.142 150 HB2 GLN 26 HB2 GLN 26 0.868 -7.174 2.569 151 HB3 GLN 26 HB3 GLN 26 1.436 -7.800 4.145 152 HG2 GLN 26 HG2 GLN 26 -0.795 -7.162 5.194 153 HG3 GLN 26 HG3 GLN 26 -1.380 -6.596 3.604 154 HE21 GLN 26 HE21 GLN 26 -2.624 -8.106 2.558 155 HE22 GLN 26 HE22 GLN 26 -2.476 -9.831 2.762 156 H VAL 27 H VAL 27 3.534 -5.302 5.103 157 HA VAL 27 HA VAL 27 4.814 -3.806 3.126 158 HB VAL 27 HB VAL 27 5.949 -5.455 5.413 159 HG11 VAL 27 HG11 VAL 27 7.224 -3.236 3.653 160 HG12 VAL 27 HG12 VAL 27 7.749 -4.960 3.750 161 HG13 VAL 27 HG13 VAL 27 7.936 -3.887 5.173 162 HG21 VAL 27 HG21 VAL 27 4.350 -3.702 6.207 163 HG22 VAL 27 HG22 VAL 27 5.102 -2.483 5.121 164 HG23 VAL 27 HG23 VAL 27 6.029 -3.138 6.512 165 H LEU 28 H LEU 28 6.272 -4.285 1.520 166 HA LEU 28 HA LEU 28 6.357 -7.130 0.714 167 HB2 LEU 28 HB2 LEU 28 6.116 -4.503 -0.743 168 HB3 LEU 28 HB3 LEU 28 7.382 -5.567 -1.442 169 HG LEU 28 HG LEU 28 5.517 -5.988 -2.710 170 HD11 LEU 28 HD11 LEU 28 6.812 -8.011 -1.570 171 HD12 LEU 28 HD12 LEU 28 5.348 -8.304 -2.584 172 HD13 LEU 28 HD13 LEU 28 5.221 -8.322 -0.784 173 HD21 LEU 28 HD21 LEU 28 3.993 -5.515 -0.192 174 HD22 LEU 28 HD22 LEU 28 3.383 -6.920 -1.133 175 HD23 LEU 28 HD23 LEU 28 3.524 -5.311 -1.918 176 H ASN 29 H ASN 29 8.385 -4.261 0.287 177 HA ASN 29 HA ASN 29 10.725 -5.893 1.061 178 HB2 ASN 29 HB2 ASN 29 11.027 -3.841 -1.199 179 HB3 ASN 29 HB3 ASN 29 11.968 -5.348 -0.878 180 HD21 ASN 29 HD21 ASN 29 10.527 -4.207 -3.351 181 HD22 ASN 29 HD22 ASN 29 9.530 -5.554 -3.855 182 HA PRO 30 HA PRO 30 11.604 -2.275 3.385 183 HB2 PRO 30 HB2 PRO 30 14.439 -1.841 2.406 184 HB3 PRO 30 HB3 PRO 30 13.891 -2.409 4.021 185 HG2 PRO 30 HG2 PRO 30 15.151 -4.073 2.147 186 HG3 PRO 30 HG3 PRO 30 13.963 -4.673 3.377 187 HD2 PRO 30 HD2 PRO 30 13.491 -4.047 0.426 188 HD3 PRO 30 HD3 PRO 30 12.850 -5.415 1.449 189 H TYR 31 H TYR 31 11.384 -1.965 0.183 190 HA TYR 31 HA TYR 31 11.524 0.983 0.207 191 HB2 TYR 31 HB2 TYR 31 12.485 -0.947 -2.013 192 HB3 TYR 31 HB3 TYR 31 12.245 0.820 -2.274 193 HD1 TYR 31 HD2 TYR 31 14.353 -1.737 -0.541 194 HD2 TYR 31 HD1 TYR 31 13.691 2.447 -1.248 195 HE1 TYR 31 HE2 TYR 31 16.548 -1.204 0.491 196 HE2 TYR 31 HE1 TYR 31 15.860 2.973 -0.194 197 HH TYR 31 HH TYR 31 17.637 2.151 0.932 198 H TYR 32 H TYR 32 9.364 -1.566 0.185 199 HA TYR 32 HA TYR 32 7.405 -0.026 -1.215 200 HB2 TYR 32 HB2 TYR 32 8.553 -1.130 -3.192 201 HB3 TYR 32 HB3 TYR 32 8.294 -2.734 -2.415 202 HD1 TYR 32 HD2 TYR 32 6.499 0.284 -3.705 203 HD2 TYR 32 HD1 TYR 32 6.306 -3.908 -2.924 204 HE1 TYR 32 HE2 TYR 32 4.160 0.244 -4.559 205 HE2 TYR 32 HE1 TYR 32 4.006 -3.984 -3.842 206 HH TYR 32 HH TYR 32 2.185 -1.056 -4.568 207 H SER 33 H SER 33 5.282 -0.568 -0.563 208 HA SER 33 HA SER 33 4.742 -3.079 0.790 209 HB2 SER 33 HB2 SER 33 3.924 -0.400 2.124 210 HB3 SER 33 HB3 SER 33 3.611 -2.044 2.740 211 HG SER 33 HG SER 33 6.041 -0.582 2.537 212 H GLN 34 H GLN 34 2.446 -3.574 0.523 213 HA GLN 34 HA GLN 34 1.033 -1.559 -1.093 214 HB2 GLN 34 HB2 GLN 34 0.697 -2.945 -2.922 215 HB3 GLN 34 HB3 GLN 34 2.334 -3.439 -2.425 216 HG2 GLN 34 HG2 GLN 34 1.324 -5.440 -1.188 217 HG3 GLN 34 HG3 GLN 34 -0.294 -4.952 -1.769 218 HE21 GLN 34 HE21 GLN 34 -0.146 -4.384 -4.363 219 HE22 GLN 34 HE22 GLN 34 0.413 -5.807 -5.207 220 H CYS 35 H CYS 35 -1.200 -2.366 -1.576 221 HA CYS 35 HA CYS 35 -2.420 -3.217 0.966 222 HB2 CYS 35 HB2 CYS 35 -3.378 -1.577 -1.447 223 HB3 CYS 35 HB3 CYS 35 -4.429 -1.977 -0.050 224 H LEU 36 H LEU 36 -3.524 -5.147 1.129 225 HA LEU 36 HA LEU 36 -4.382 -6.396 -1.423 226 HB2 LEU 36 HB2 LEU 36 -3.559 -7.801 1.143 227 HB3 LEU 36 HB3 LEU 36 -3.927 -8.548 -0.436 228 HG LEU 36 HG LEU 36 -1.586 -8.668 -0.114 229 HD11 LEU 36 HD11 LEU 36 -1.944 -6.276 -2.029 230 HD12 LEU 36 HD12 LEU 36 -2.510 -7.930 -2.419 231 HD13 LEU 36 HD13 LEU 36 -0.751 -7.621 -2.136 232 HD21 LEU 36 HD21 LEU 36 -0.129 -7.073 0.740 233 HD22 LEU 36 HD22 LEU 36 -1.659 -6.525 1.528 234 HD23 LEU 36 HD23 LEU 36 -1.050 -5.682 0.094 235 H1 MAN 101 H1 MAN 37 -10.086 2.435 2.064 236 H2 MAN 101 H2 MAN 37 -8.683 3.216 0.131 237 H3 MAN 101 H3 MAN 37 -9.126 5.568 0.442 238 H4 MAN 101 H4 MAN 37 -11.849 5.077 -0.773 239 H5 MAN 101 H5 MAN 37 -11.105 5.848 2.111 240 H61 MAN 101 H61 MAN 37 -13.735 5.015 0.789 241 H62 MAN 101 H62 MAN 37 -13.303 6.663 1.375 242 HO2 MAN 101 HO2 MAN 37 -11.356 2.999 -0.791 243 HO3 MAN 101 HO3 MAN 37 -8.739 5.966 -1.597 244 HO4 MAN 101 HO4 MAN 37 -11.565 7.171 -1.076 245 HO6 MAN 101 HO6 MAN 37 -13.151 5.651 3.550 246 H1 MAN 102 H1 MAN 38 -7.609 3.106 -6.802 247 H2 MAN 102 H2 MAN 38 -6.225 1.123 -7.468 248 H3 MAN 102 H3 MAN 38 -4.349 1.611 -5.899 249 H4 MAN 102 H4 MAN 38 -3.714 3.837 -7.898 250 H5 MAN 102 H5 MAN 38 -4.515 3.973 -4.943 251 H61 MAN 102 H61 MAN 38 -4.371 6.219 -7.029 252 H62 MAN 102 H62 MAN 38 -3.042 5.856 -5.871 253 HO2 MAN 102 HO2 MAN 38 -5.159 2.143 -9.276 254 HO3 MAN 102 HO3 MAN 38 -2.660 1.420 -7.673 255 HO4 MAN 102 HO4 MAN 38 -2.332 3.521 -5.432 256 HO6 MAN 102 HO6 MAN 38 -5.749 6.302 -5.087 Start of MODEL 2 1 H1 THR 1 H1 THR 1 -8.372 6.315 1.801 2 H2 THR 1 H2 THR 1 -7.012 6.604 2.779 3 H3 THR 1 H3 THR 1 -8.323 5.657 3.357 4 HA THR 1 HA THR 1 -6.214 4.519 2.446 5 HB THR 1 HB THR 1 -7.924 2.585 1.662 6 HG21 THR 1 HG21 THR 1 -8.830 2.238 3.928 7 HG22 THR 1 HG22 THR 1 -8.294 3.876 4.452 8 HG23 THR 1 HG23 THR 1 -7.102 2.639 3.943 9 H GLN 2 H GLN 2 -6.106 2.854 0.228 10 HA GLN 2 HA GLN 2 -6.754 4.555 -2.129 11 HB2 GLN 2 HB2 GLN 2 -4.825 3.008 -3.229 12 HB3 GLN 2 HB3 GLN 2 -4.460 4.463 -2.396 13 HG2 GLN 2 HG2 GLN 2 -4.595 1.764 -0.801 14 HG3 GLN 2 HG3 GLN 2 -3.167 2.124 -1.819 15 HE21 GLN 2 HE21 GLN 2 -3.978 5.119 -0.941 16 HE22 GLN 2 HE22 GLN 2 -2.931 5.221 0.433 17 H SER 3 H SER 3 -5.619 1.217 -2.386 18 HA SER 3 HA SER 3 -8.243 0.272 -3.141 19 HB2 SER 3 HB2 SER 3 -6.370 -0.036 -5.468 20 HB3 SER 3 HB3 SER 3 -8.139 0.398 -5.462 21 H HIS 4 H HIS 4 -7.768 -1.909 -4.447 22 HA HIS 4 HA HIS 4 -6.047 -3.440 -2.708 23 HB2 HIS 4 HB2 HIS 4 -8.271 -4.227 -3.816 24 HB3 HIS 4 HB3 HIS 4 -7.349 -4.376 -5.352 25 HD1 HIS 4 HD1 HIS 4 -8.585 -6.879 -4.282 26 HD2 HIS 4 HD2 HIS 4 -4.909 -5.612 -2.704 27 HE1 HIS 4 HE1 HIS 4 -7.474 -8.901 -3.238 28 HE2 HIS 4 HE2 HIS 4 -5.504 -7.944 -2.010 29 H TYR 5 H TYR 5 -3.953 -3.929 -3.042 30 HA TYR 5 HA TYR 5 -2.042 -4.242 -3.852 31 HB2 TYR 5 HB2 TYR 5 -3.032 -3.978 -6.727 32 HB3 TYR 5 HB3 TYR 5 -1.541 -4.800 -6.148 33 HD1 TYR 5 HD1 TYR 5 -1.875 -6.846 -4.496 34 HD2 TYR 5 HD2 TYR 5 -5.014 -5.171 -6.906 35 HE1 TYR 5 HE1 TYR 5 -3.139 -8.961 -4.320 36 HE2 TYR 5 HE2 TYR 5 -6.292 -7.281 -6.705 37 HH TYR 5 HH TYR 5 -6.237 -9.452 -6.006 38 H GLY 6 H GLY 6 -3.435 -1.522 -3.589 39 HA2 GLY 6 HA2 GLY 6 -1.736 0.318 -5.031 40 HA3 GLY 6 HA3 GLY 6 -2.826 0.658 -3.622 41 H GLN 7 H GLN 7 -0.410 1.981 -3.677 42 HA GLN 7 HA GLN 7 1.366 0.388 -1.992 43 HB2 GLN 7 HB2 GLN 7 2.204 1.688 -3.894 44 HB3 GLN 7 HB3 GLN 7 1.557 3.194 -3.182 45 HG2 GLN 7 HG2 GLN 7 3.142 2.976 -1.228 46 HG3 GLN 7 HG3 GLN 7 3.672 1.363 -1.839 47 HE21 GLN 7 HE21 GLN 7 5.834 2.236 -1.966 48 HE22 GLN 7 HE22 GLN 7 6.264 3.344 -3.279 49 H CYS 8 H CYS 8 1.794 0.901 0.169 50 HA CYS 8 HA CYS 8 0.363 3.231 1.347 51 HB2 CYS 8 HB2 CYS 8 -1.071 1.741 2.238 52 HB3 CYS 8 HB3 CYS 8 0.004 0.358 1.948 53 H GLY 9 H GLY 9 3.347 1.470 1.029 54 HA2 GLY 9 HA2 GLY 9 4.635 3.370 2.865 55 HA3 GLY 9 HA3 GLY 9 4.569 1.644 3.374 56 H GLY 10 H GLY 10 5.732 3.830 0.761 57 HA2 GLY 10 HA2 GLY 10 8.152 2.151 0.725 58 HA3 GLY 10 HA3 GLY 10 7.327 2.522 -0.837 59 H ILE 11 H ILE 11 9.938 3.375 -0.125 60 HA ILE 11 HA ILE 11 10.061 5.983 0.767 61 HB ILE 11 HB ILE 11 11.713 4.169 -0.972 62 HG12 ILE 11 HG12 ILE 11 13.470 5.039 0.782 63 HG13 ILE 11 HG13 ILE 11 12.082 5.764 1.636 64 HG21 ILE 11 HG21 ILE 11 12.226 7.208 -0.768 65 HG22 ILE 11 HG22 ILE 11 11.980 6.239 -2.273 66 HG23 ILE 11 HG23 ILE 11 13.452 5.995 -1.284 67 HD11 ILE 11 HD11 ILE 11 12.345 3.689 2.758 68 HD12 ILE 11 HD12 ILE 11 12.867 2.825 1.287 69 HD13 ILE 11 HD13 ILE 11 11.126 3.202 1.545 70 H GLY 12 H GLY 12 9.068 4.822 -2.381 71 HA2 GLY 12 HA2 GLY 12 8.561 7.602 -3.306 72 HA3 GLY 12 HA3 GLY 12 8.520 6.091 -4.288 73 H TYR 13 H TYR 13 6.896 7.402 -1.313 74 HA TYR 13 HA TYR 13 4.381 6.763 -2.666 75 HB2 TYR 13 HB2 TYR 13 4.987 4.844 -1.067 76 HB3 TYR 13 HB3 TYR 13 5.034 6.040 0.280 77 HD1 TYR 13 HD1 TYR 13 2.813 5.402 -2.699 78 HD2 TYR 13 HD2 TYR 13 3.050 5.887 1.587 79 HE1 TYR 13 HE1 TYR 13 0.370 5.303 -2.554 80 HE2 TYR 13 HE2 TYR 13 0.570 5.804 1.702 81 HH TYR 13 HH TYR 13 -1.119 4.487 -0.324 82 H SER 14 H SER 14 2.825 8.306 -2.492 83 HA SER 14 HA SER 14 2.979 10.246 -0.299 84 HB2 SER 14 HB2 SER 14 3.158 11.036 -3.265 85 HB3 SER 14 HB3 SER 14 2.750 12.192 -1.943 86 HG SER 14 HG SER 14 5.009 10.616 -1.527 87 H GLY 15 H GLY 15 1.065 8.837 0.235 88 HA2 GLY 15 HA2 GLY 15 -1.272 10.232 -0.552 89 HA3 GLY 15 HA3 GLY 15 -1.153 8.567 -1.277 90 HA PRO 16 HA PRO 16 -3.207 8.426 2.924 91 HB2 PRO 16 HB2 PRO 16 -4.702 6.135 1.707 92 HB3 PRO 16 HB3 PRO 16 -5.347 7.660 2.430 93 HG2 PRO 16 HG2 PRO 16 -4.791 6.958 -0.443 94 HG3 PRO 16 HG3 PRO 16 -5.810 8.289 0.178 95 HD2 PRO 16 HD2 PRO 16 -3.331 8.601 -1.045 96 HD3 PRO 16 HD3 PRO 16 -3.943 9.774 0.208 97 H THR 17 H THR 17 -2.274 7.303 4.640 98 HA THR 17 HA THR 17 -0.525 5.109 3.919 99 HB THR 17 HB THR 17 -0.962 6.456 6.613 100 HG1 THR 17 HG1 THR 17 0.127 7.964 5.640 101 HG21 THR 17 HG21 THR 17 0.312 4.632 7.291 102 HG22 THR 17 HG22 THR 17 1.677 5.525 6.534 103 HG23 THR 17 HG23 THR 17 0.840 4.220 5.624 104 H VAL 18 H VAL 18 -3.178 4.329 3.530 105 HA VAL 18 HA VAL 18 -3.489 2.194 5.490 106 HB VAL 18 HB VAL 18 -5.852 4.075 4.957 107 HG11 VAL 18 HG11 VAL 18 -7.080 2.675 6.525 108 HG12 VAL 18 HG12 VAL 18 -5.583 1.973 7.220 109 HG13 VAL 18 HG13 VAL 18 -6.161 1.449 5.608 110 HG21 VAL 18 HG21 VAL 18 -4.274 3.862 7.584 111 HG22 VAL 18 HG22 VAL 18 -5.732 4.873 7.269 112 HG23 VAL 18 HG23 VAL 18 -4.179 5.255 6.452 113 H CYS 19 H CYS 19 -4.383 0.424 4.455 114 HA CYS 19 HA CYS 19 -4.630 0.679 1.582 115 HB2 CYS 19 HB2 CYS 19 -4.503 -1.529 3.677 116 HB3 CYS 19 HB3 CYS 19 -4.768 -1.948 1.975 117 H ALA 20 H ALA 20 -6.476 -0.256 0.397 118 HA ALA 20 HA ALA 20 -8.829 0.924 0.635 119 HB1 ALA 20 HB1 ALA 20 -9.669 -0.540 -0.998 120 HB2 ALA 20 HB2 ALA 20 -8.964 -1.974 -0.182 121 HB3 ALA 20 HB3 ALA 20 -7.898 -0.885 -1.077 122 H SER 21 H SER 21 -11.141 0.351 1.390 123 HA SER 21 HA SER 21 -11.107 -0.486 4.006 124 HB2 SER 21 HB2 SER 21 -13.516 -0.321 2.103 125 HB3 SER 21 HB3 SER 21 -13.537 -0.174 3.909 126 HG SER 21 HG SER 21 -13.239 1.844 2.299 127 H GLY 22 H GLY 22 -10.608 -2.497 1.637 128 HA2 GLY 22 HA2 GLY 22 -11.583 -4.868 3.048 129 HA3 GLY 22 HA3 GLY 22 -11.717 -4.738 1.250 130 H THR 23 H THR 23 -8.891 -3.151 2.476 131 HA THR 23 HA THR 23 -7.293 -5.545 1.942 132 HB THR 23 HB THR 23 -5.659 -4.360 0.596 133 HG1 THR 23 HG1 THR 23 -6.853 -2.283 1.446 134 HG21 THR 23 HG21 THR 23 -8.220 -5.152 -0.379 135 HG22 THR 23 HG22 THR 23 -6.703 -4.912 -1.280 136 HG23 THR 23 HG23 THR 23 -7.881 -3.559 -1.175 137 H THR 24 H THR 24 -5.270 -5.576 2.903 138 HA THR 24 HA THR 24 -4.833 -3.634 5.127 139 HB THR 24 HB THR 24 -5.250 -5.917 5.865 140 HG1 THR 24 HG1 THR 24 -3.072 -6.346 6.743 141 HG21 THR 24 HG21 THR 24 -4.639 -7.568 4.401 142 HG22 THR 24 HG22 THR 24 -2.962 -7.408 5.039 143 HG23 THR 24 HG23 THR 24 -3.463 -6.550 3.545 144 H CYS 25 H CYS 25 -2.480 -3.272 5.781 145 HA CYS 25 HA CYS 25 -0.889 -2.765 3.332 146 HB2 CYS 25 HB2 CYS 25 -1.510 -0.770 4.772 147 HB3 CYS 25 HB3 CYS 25 -0.618 -1.497 6.124 148 H GLN 26 H GLN 26 0.530 -4.324 2.910 149 HA GLN 26 HA GLN 26 2.073 -5.366 5.218 150 HB2 GLN 26 HB2 GLN 26 1.522 -7.018 2.728 151 HB3 GLN 26 HB3 GLN 26 2.206 -7.553 4.279 152 HG2 GLN 26 HG2 GLN 26 0.026 -7.333 5.429 153 HG3 GLN 26 HG3 GLN 26 -0.718 -6.549 4.001 154 HE21 GLN 26 HE21 GLN 26 -2.178 -7.994 3.202 155 HE22 GLN 26 HE22 GLN 26 -1.839 -9.664 2.857 156 H VAL 27 H VAL 27 4.158 -5.028 5.067 157 HA VAL 27 HA VAL 27 5.273 -3.539 3.007 158 HB VAL 27 HB VAL 27 6.691 -5.140 5.163 159 HG11 VAL 27 HG11 VAL 27 7.584 -2.918 3.201 160 HG12 VAL 27 HG12 VAL 27 8.376 -4.497 3.546 161 HG13 VAL 27 HG13 VAL 27 8.418 -3.175 4.767 162 HG21 VAL 27 HG21 VAL 27 5.636 -2.222 5.125 163 HG22 VAL 27 HG22 VAL 27 6.693 -2.927 6.390 164 HG23 VAL 27 HG23 VAL 27 5.028 -3.552 6.166 165 H LEU 28 H LEU 28 6.745 -3.949 1.373 166 HA LEU 28 HA LEU 28 6.713 -6.756 0.462 167 HB2 LEU 28 HB2 LEU 28 6.092 -4.259 -0.847 168 HB3 LEU 28 HB3 LEU 28 7.668 -4.707 -1.529 169 HG LEU 28 HG LEU 28 6.261 -5.673 -3.037 170 HD11 LEU 28 HD11 LEU 28 6.185 -8.095 -1.200 171 HD12 LEU 28 HD12 LEU 28 7.786 -7.459 -1.727 172 HD13 LEU 28 HD13 LEU 28 6.574 -7.991 -2.952 173 HD21 LEU 28 HD21 LEU 28 4.178 -5.074 -1.862 174 HD22 LEU 28 HD22 LEU 28 4.405 -6.425 -0.691 175 HD23 LEU 28 HD23 LEU 28 4.111 -6.789 -2.430 176 H ASN 29 H ASN 29 8.764 -3.884 0.141 177 HA ASN 29 HA ASN 29 11.149 -5.537 0.675 178 HB2 ASN 29 HB2 ASN 29 11.178 -3.284 -1.454 179 HB3 ASN 29 HB3 ASN 29 12.352 -4.632 -1.221 180 HD21 ASN 29 HD21 ASN 29 9.969 -3.586 -3.302 181 HD22 ASN 29 HD22 ASN 29 9.465 -5.157 -3.886 182 HA PRO 30 HA PRO 30 11.932 -2.093 3.292 183 HB2 PRO 30 HB2 PRO 30 14.745 -1.605 2.169 184 HB3 PRO 30 HB3 PRO 30 14.276 -2.030 3.854 185 HG2 PRO 30 HG2 PRO 30 15.451 -3.877 2.165 186 HG3 PRO 30 HG3 PRO 30 14.145 -4.366 3.323 187 HD2 PRO 30 HD2 PRO 30 13.899 -3.771 0.328 188 HD3 PRO 30 HD3 PRO 30 13.163 -5.117 1.314 189 H TYR 31 H TYR 31 11.640 -1.565 0.149 190 HA TYR 31 HA TYR 31 11.618 1.360 0.322 191 HB2 TYR 31 HB2 TYR 31 12.907 -0.398 -1.846 192 HB3 TYR 31 HB3 TYR 31 12.309 1.249 -2.258 193 HD1 TYR 31 HD2 TYR 31 14.655 -0.581 0.082 194 HD2 TYR 31 HD1 TYR 31 13.555 3.152 -1.737 195 HE1 TYR 31 HE2 TYR 31 16.601 0.516 1.148 196 HE2 TYR 31 HE1 TYR 31 15.534 4.227 -0.712 197 HH TYR 31 HH TYR 31 17.136 3.028 1.860 198 H TYR 32 H TYR 32 9.576 -1.232 0.167 199 HA TYR 32 HA TYR 32 7.590 0.328 -1.188 200 HB2 TYR 32 HB2 TYR 32 8.724 -0.670 -3.205 201 HB3 TYR 32 HB3 TYR 32 8.534 -2.307 -2.478 202 HD1 TYR 32 HD2 TYR 32 6.579 0.694 -3.551 203 HD2 TYR 32 HD1 TYR 32 6.624 -3.546 -3.110 204 HE1 TYR 32 HE2 TYR 32 4.239 0.581 -4.421 205 HE2 TYR 32 HE1 TYR 32 4.321 -3.688 -4.003 206 HH TYR 32 HH TYR 32 2.737 -2.336 -5.334 207 H SER 33 H SER 33 5.444 -0.279 -0.571 208 HA SER 33 HA SER 33 5.020 -2.863 0.694 209 HB2 SER 33 HB2 SER 33 4.050 -0.294 2.116 210 HB3 SER 33 HB3 SER 33 3.781 -1.974 2.641 211 HG SER 33 HG SER 33 6.189 -0.449 2.566 212 H GLN 34 H GLN 34 2.855 -3.550 0.331 213 HA GLN 34 HA GLN 34 1.308 -1.628 -1.298 214 HB2 GLN 34 HB2 GLN 34 0.795 -3.210 -2.911 215 HB3 GLN 34 HB3 GLN 34 2.531 -3.466 -2.608 216 HG2 GLN 34 HG2 GLN 34 2.045 -5.478 -1.165 217 HG3 GLN 34 HG3 GLN 34 0.301 -5.229 -1.359 218 HE21 GLN 34 HE21 GLN 34 -0.084 -4.725 -4.014 219 HE22 GLN 34 HE22 GLN 34 0.399 -6.168 -4.900 220 H CYS 35 H CYS 35 -0.941 -2.636 -1.651 221 HA CYS 35 HA CYS 35 -2.087 -3.271 0.968 222 HB2 CYS 35 HB2 CYS 35 -3.181 -1.857 -1.533 223 HB3 CYS 35 HB3 CYS 35 -4.183 -2.196 -0.092 224 H LEU 36 H LEU 36 -3.308 -5.148 1.317 225 HA LEU 36 HA LEU 36 -4.024 -6.692 -1.113 226 HB2 LEU 36 HB2 LEU 36 -3.185 -7.886 1.546 227 HB3 LEU 36 HB3 LEU 36 -3.445 -8.721 -0.008 228 HG LEU 36 HG LEU 36 -1.119 -8.676 0.447 229 HD11 LEU 36 HD11 LEU 36 -0.288 -7.867 -1.629 230 HD12 LEU 36 HD12 LEU 36 -1.410 -6.458 -1.654 231 HD13 LEU 36 HD13 LEU 36 -2.052 -8.104 -1.945 232 HD21 LEU 36 HD21 LEU 36 -0.734 -5.661 0.433 233 HD22 LEU 36 HD22 LEU 36 0.182 -6.955 1.251 234 HD23 LEU 36 HD23 LEU 36 -1.407 -6.396 1.903 235 H1 MAN 101 H1 MAN 37 -10.170 2.053 1.676 236 H2 MAN 101 H2 MAN 37 -8.869 2.835 -0.316 237 H3 MAN 101 H3 MAN 37 -9.508 5.238 0.131 238 H4 MAN 101 H4 MAN 37 -12.114 4.445 -1.182 239 H5 MAN 101 H5 MAN 37 -11.463 5.396 1.681 240 H61 MAN 101 H61 MAN 37 -13.980 4.208 0.397 241 H62 MAN 101 H62 MAN 37 -13.728 5.945 0.832 242 HO2 MAN 101 HO2 MAN 37 -10.521 1.353 -0.892 243 HO3 MAN 101 HO3 MAN 37 -9.654 4.197 -2.481 244 HO4 MAN 101 HO4 MAN 37 -11.144 6.581 -1.542 245 HO6 MAN 101 HO6 MAN 37 -14.860 4.704 2.507 246 H1 MAN 102 H1 MAN 38 -7.664 2.073 -7.180 247 H2 MAN 102 H2 MAN 38 -5.787 0.436 -7.302 248 H3 MAN 102 H3 MAN 38 -4.455 1.517 -5.485 249 H4 MAN 102 H4 MAN 38 -3.809 3.586 -7.633 250 H5 MAN 102 H5 MAN 38 -5.374 3.909 -5.015 251 H61 MAN 102 H61 MAN 38 -5.035 5.838 -7.362 252 H62 MAN 102 H62 MAN 38 -4.147 5.945 -5.800 253 HO2 MAN 102 HO2 MAN 38 -4.882 1.205 -9.160 254 HO3 MAN 102 HO3 MAN 38 -3.341 0.060 -6.867 255 HO4 MAN 102 HO4 MAN 38 -2.967 3.446 -4.878 256 HO6 MAN 102 HO6 MAN 38 -6.992 5.956 -6.108 Start of MODEL 3 1 H1 THR 1 H1 THR 1 -6.623 5.997 3.842 2 H2 THR 1 H2 THR 1 -8.227 5.457 3.572 3 H3 THR 1 H3 THR 1 -7.450 6.424 2.398 4 HA THR 1 HA THR 1 -5.902 4.218 2.816 5 HB THR 1 HB THR 1 -7.798 2.473 2.014 6 HG21 THR 1 HG21 THR 1 -6.778 2.310 4.229 7 HG22 THR 1 HG22 THR 1 -8.508 1.933 4.288 8 HG23 THR 1 HG23 THR 1 -7.910 3.510 4.932 9 H GLN 2 H GLN 2 -6.135 2.753 0.419 10 HA GLN 2 HA GLN 2 -6.874 4.709 -1.693 11 HB2 GLN 2 HB2 GLN 2 -5.045 3.316 -3.099 12 HB3 GLN 2 HB3 GLN 2 -4.602 4.658 -2.143 13 HG2 GLN 2 HG2 GLN 2 -4.651 1.860 -0.744 14 HG3 GLN 2 HG3 GLN 2 -3.375 2.170 -1.956 15 HE21 GLN 2 HE21 GLN 2 -4.166 5.120 -0.570 16 HE22 GLN 2 HE22 GLN 2 -2.823 5.151 0.540 17 H SER 3 H SER 3 -5.733 1.471 -2.402 18 HA SER 3 HA SER 3 -8.411 0.564 -3.090 19 HB2 SER 3 HB2 SER 3 -6.476 0.348 -5.407 20 HB3 SER 3 HB3 SER 3 -8.258 0.727 -5.412 21 H HIS 4 H HIS 4 -8.030 -1.572 -4.454 22 HA HIS 4 HA HIS 4 -6.283 -3.223 -2.843 23 HB2 HIS 4 HB2 HIS 4 -8.579 -3.959 -3.782 24 HB3 HIS 4 HB3 HIS 4 -7.826 -3.991 -5.414 25 HD1 HIS 4 HD1 HIS 4 -8.894 -6.590 -4.609 26 HD2 HIS 4 HD2 HIS 4 -5.192 -5.417 -3.018 27 HE1 HIS 4 HE1 HIS 4 -7.729 -8.686 -3.813 28 HE2 HIS 4 HE2 HIS 4 -5.711 -7.833 -2.541 29 H TYR 5 H TYR 5 -4.210 -3.732 -3.347 30 HA TYR 5 HA TYR 5 -2.410 -4.096 -4.360 31 HB2 TYR 5 HB2 TYR 5 -3.673 -3.551 -7.099 32 HB3 TYR 5 HB3 TYR 5 -2.130 -4.397 -6.802 33 HD1 TYR 5 HD1 TYR 5 -2.270 -6.542 -5.176 34 HD2 TYR 5 HD2 TYR 5 -5.590 -4.804 -7.284 35 HE1 TYR 5 HE1 TYR 5 -3.467 -8.700 -5.070 36 HE2 TYR 5 HE2 TYR 5 -6.801 -6.966 -7.154 37 HH TYR 5 HH TYR 5 -5.292 -9.897 -5.950 38 H GLY 6 H GLY 6 -3.649 -1.316 -3.792 39 HA2 GLY 6 HA2 GLY 6 -1.844 0.492 -5.123 40 HA3 GLY 6 HA3 GLY 6 -2.784 0.779 -3.610 41 H GLN 7 H GLN 7 -0.339 1.899 -3.677 42 HA GLN 7 HA GLN 7 1.326 0.102 -2.043 43 HB2 GLN 7 HB2 GLN 7 2.481 1.119 -3.906 44 HB3 GLN 7 HB3 GLN 7 1.847 2.749 -3.504 45 HG2 GLN 7 HG2 GLN 7 3.177 2.906 -1.471 46 HG3 GLN 7 HG3 GLN 7 3.571 1.158 -1.503 47 HE21 GLN 7 HE21 GLN 7 5.750 2.052 -1.258 48 HE22 GLN 7 HE22 GLN 7 6.633 2.398 -2.748 49 H CYS 8 H CYS 8 1.533 0.549 0.158 50 HA CYS 8 HA CYS 8 0.255 3.082 1.122 51 HB2 CYS 8 HB2 CYS 8 -1.187 1.746 2.205 52 HB3 CYS 8 HB3 CYS 8 -0.229 0.300 1.796 53 H GLY 9 H GLY 9 3.160 1.185 1.074 54 HA2 GLY 9 HA2 GLY 9 4.389 3.053 3.027 55 HA3 GLY 9 HA3 GLY 9 4.501 1.265 3.218 56 H GLY 10 H GLY 10 5.897 4.071 1.701 57 HA2 GLY 10 HA2 GLY 10 8.098 2.409 1.114 58 HA3 GLY 10 HA3 GLY 10 7.260 2.906 -0.409 59 H ILE 11 H ILE 11 9.668 3.851 -0.266 60 HA ILE 11 HA ILE 11 9.655 6.342 1.188 61 HB ILE 11 HB ILE 11 11.896 6.301 0.900 62 HG12 ILE 11 HG12 ILE 11 12.136 6.710 -1.455 63 HG13 ILE 11 HG13 ILE 11 13.177 5.354 -0.988 64 HG21 ILE 11 HG21 ILE 11 11.370 3.349 0.205 65 HG22 ILE 11 HG22 ILE 11 11.068 4.042 1.848 66 HG23 ILE 11 HG23 ILE 11 12.716 4.031 1.157 67 HD11 ILE 11 HD11 ILE 11 10.789 4.059 -1.945 68 HD12 ILE 11 HD12 ILE 11 12.334 4.252 -2.842 69 HD13 ILE 11 HD13 ILE 11 11.041 5.462 -3.044 70 H GLY 12 H GLY 12 8.532 5.264 -1.726 71 HA2 GLY 12 HA2 GLY 12 8.715 7.852 -3.169 72 HA3 GLY 12 HA3 GLY 12 8.774 6.206 -3.933 73 H TYR 13 H TYR 13 6.822 7.098 -1.198 74 HA TYR 13 HA TYR 13 4.410 6.879 -2.852 75 HB2 TYR 13 HB2 TYR 13 4.860 4.689 -1.806 76 HB3 TYR 13 HB3 TYR 13 5.053 5.461 -0.182 77 HD1 TYR 13 HD1 TYR 13 2.699 5.444 -3.111 78 HD2 TYR 13 HD2 TYR 13 3.129 5.446 1.178 79 HE1 TYR 13 HE1 TYR 13 0.238 5.594 -2.858 80 HE2 TYR 13 HE2 TYR 13 0.660 5.542 1.411 81 HH TYR 13 HH TYR 13 -1.191 4.628 -0.452 82 H SER 14 H SER 14 3.350 8.733 -2.749 83 HA SER 14 HA SER 14 3.194 10.153 -0.173 84 HB2 SER 14 HB2 SER 14 2.890 12.266 -1.704 85 HB3 SER 14 HB3 SER 14 4.523 11.573 -1.430 86 HG SER 14 HG SER 14 2.979 11.585 -3.756 87 H GLY 15 H GLY 15 1.352 8.544 0.088 88 HA2 GLY 15 HA2 GLY 15 -1.042 10.046 -0.493 89 HA3 GLY 15 HA3 GLY 15 -0.928 8.385 -1.221 90 HA PRO 16 HA PRO 16 -2.829 8.282 3.062 91 HB2 PRO 16 HB2 PRO 16 -4.509 6.116 1.873 92 HB3 PRO 16 HB3 PRO 16 -5.034 7.650 2.658 93 HG2 PRO 16 HG2 PRO 16 -4.676 7.002 -0.254 94 HG3 PRO 16 HG3 PRO 16 -5.562 8.382 0.465 95 HD2 PRO 16 HD2 PRO 16 -3.130 8.557 -0.891 96 HD3 PRO 16 HD3 PRO 16 -3.614 9.743 0.405 97 H THR 17 H THR 17 -1.881 7.059 4.699 98 HA THR 17 HA THR 17 -0.193 4.910 3.820 99 HB THR 17 HB THR 17 -0.631 6.018 6.629 100 HG1 THR 17 HG1 THR 17 0.788 6.908 4.375 101 HG21 THR 17 HG21 THR 17 2.007 5.383 6.532 102 HG22 THR 17 HG22 THR 17 1.444 4.195 5.291 103 HG23 THR 17 HG23 THR 17 0.771 4.159 6.954 104 H VAL 18 H VAL 18 -2.870 4.120 3.488 105 HA VAL 18 HA VAL 18 -3.002 1.828 5.264 106 HB VAL 18 HB VAL 18 -5.456 3.659 5.133 107 HG11 VAL 18 HG11 VAL 18 -4.857 1.458 7.224 108 HG12 VAL 18 HG12 VAL 18 -5.587 0.984 5.654 109 HG13 VAL 18 HG13 VAL 18 -6.447 2.121 6.727 110 HG21 VAL 18 HG21 VAL 18 -5.062 4.138 7.590 111 HG22 VAL 18 HG22 VAL 18 -3.874 4.925 6.487 112 HG23 VAL 18 HG23 VAL 18 -3.415 3.448 7.408 113 H CYS 19 H CYS 19 -4.204 0.159 4.223 114 HA CYS 19 HA CYS 19 -4.532 0.594 1.359 115 HB2 CYS 19 HB2 CYS 19 -4.421 -1.741 3.331 116 HB3 CYS 19 HB3 CYS 19 -4.650 -2.036 1.599 117 H ALA 20 H ALA 20 -6.540 -0.179 0.257 118 HA ALA 20 HA ALA 20 -8.814 0.979 0.758 119 HB1 ALA 20 HB1 ALA 20 -9.060 -1.879 -0.158 120 HB2 ALA 20 HB2 ALA 20 -8.078 -0.743 -1.092 121 HB3 ALA 20 HB3 ALA 20 -9.821 -0.382 -0.825 122 H SER 21 H SER 21 -11.077 0.330 1.463 123 HA SER 21 HA SER 21 -10.846 -0.571 4.159 124 HB2 SER 21 HB2 SER 21 -12.853 0.744 2.457 125 HB3 SER 21 HB3 SER 21 -13.645 -0.410 3.570 126 HG SER 21 HG SER 21 -12.290 0.631 5.235 127 H GLY 22 H GLY 22 -10.608 -2.412 1.698 128 HA2 GLY 22 HA2 GLY 22 -11.542 -4.828 3.055 129 HA3 GLY 22 HA3 GLY 22 -11.741 -4.610 1.273 130 H THR 23 H THR 23 -8.854 -3.055 2.370 131 HA THR 23 HA THR 23 -7.303 -5.434 1.760 132 HB THR 23 HB THR 23 -5.725 -4.362 0.376 133 HG1 THR 23 HG1 THR 23 -5.649 -2.374 0.557 134 HG21 THR 23 HG21 THR 23 -8.135 -3.606 -1.248 135 HG22 THR 23 HG22 THR 23 -8.192 -5.251 -0.481 136 HG23 THR 23 HG23 THR 23 -6.807 -4.803 -1.510 137 H THR 24 H THR 24 -5.302 -5.597 2.679 138 HA THR 24 HA THR 24 -4.815 -3.706 4.920 139 HB THR 24 HB THR 24 -3.467 -6.422 4.863 140 HG1 THR 24 HG1 THR 24 -5.463 -7.065 5.996 141 HG21 THR 24 HG21 THR 24 -4.899 -4.666 7.001 142 HG22 THR 24 HG22 THR 24 -3.106 -4.777 6.799 143 HG23 THR 24 HG23 THR 24 -4.035 -6.211 7.333 144 H CYS 25 H CYS 25 -2.466 -3.374 5.589 145 HA CYS 25 HA CYS 25 -0.872 -2.965 3.150 146 HB2 CYS 25 HB2 CYS 25 -1.484 -1.014 4.678 147 HB3 CYS 25 HB3 CYS 25 -0.469 -1.746 5.944 148 H GLN 26 H GLN 26 0.487 -4.552 2.690 149 HA GLN 26 HA GLN 26 1.918 -5.800 4.978 150 HB2 GLN 26 HB2 GLN 26 1.337 -7.178 2.336 151 HB3 GLN 26 HB3 GLN 26 2.029 -7.895 3.807 152 HG2 GLN 26 HG2 GLN 26 -0.099 -7.647 5.053 153 HG3 GLN 26 HG3 GLN 26 -0.857 -6.741 3.703 154 HE21 GLN 26 HE21 GLN 26 -2.374 -8.039 2.735 155 HE22 GLN 26 HE22 GLN 26 -2.143 -9.721 2.381 156 H VAL 27 H VAL 27 3.933 -5.247 5.041 157 HA VAL 27 HA VAL 27 5.189 -3.751 3.050 158 HB VAL 27 HB VAL 27 6.382 -5.217 5.429 159 HG11 VAL 27 HG11 VAL 27 8.214 -4.671 3.910 160 HG12 VAL 27 HG12 VAL 27 8.202 -3.405 5.178 161 HG13 VAL 27 HG13 VAL 27 7.553 -3.038 3.545 162 HG21 VAL 27 HG21 VAL 27 4.617 -3.599 6.135 163 HG22 VAL 27 HG22 VAL 27 5.323 -2.313 5.103 164 HG23 VAL 27 HG23 VAL 27 6.237 -2.936 6.514 165 H LEU 28 H LEU 28 6.727 -4.169 1.483 166 HA LEU 28 HA LEU 28 6.958 -7.013 0.764 167 HB2 LEU 28 HB2 LEU 28 6.440 -4.494 -0.688 168 HB3 LEU 28 HB3 LEU 28 7.968 -5.167 -1.298 169 HG LEU 28 HG LEU 28 6.430 -5.978 -2.752 170 HD11 LEU 28 HD11 LEU 28 7.976 -7.742 -1.450 171 HD12 LEU 28 HD12 LEU 28 6.771 -8.300 -2.669 172 HD13 LEU 28 HD13 LEU 28 6.396 -8.406 -0.908 173 HD21 LEU 28 HD21 LEU 28 4.486 -5.394 -1.010 174 HD22 LEU 28 HD22 LEU 28 4.533 -7.151 -0.664 175 HD23 LEU 28 HD23 LEU 28 4.202 -6.578 -2.345 176 H ASN 29 H ASN 29 8.848 -4.017 0.444 177 HA ASN 29 HA ASN 29 11.249 -5.482 1.322 178 HB2 ASN 29 HB2 ASN 29 11.735 -3.416 -0.846 179 HB3 ASN 29 HB3 ASN 29 12.499 -5.020 -0.571 180 HD21 ASN 29 HD21 ASN 29 11.227 -3.512 -3.008 181 HD22 ASN 29 HD22 ASN 29 10.199 -4.753 -3.685 182 HA PRO 30 HA PRO 30 11.729 -1.776 3.659 183 HB2 PRO 30 HB2 PRO 30 14.590 -1.195 2.842 184 HB3 PRO 30 HB3 PRO 30 13.976 -1.762 4.434 185 HG2 PRO 30 HG2 PRO 30 15.448 -3.384 2.685 186 HG3 PRO 30 HG3 PRO 30 14.213 -4.031 3.842 187 HD2 PRO 30 HD2 PRO 30 13.899 -3.466 0.853 188 HD3 PRO 30 HD3 PRO 30 13.290 -4.869 1.849 189 H TYR 31 H TYR 31 11.474 -1.527 0.529 190 HA TYR 31 HA TYR 31 11.513 1.390 0.479 191 HB2 TYR 31 HB2 TYR 31 12.829 -0.527 -1.540 192 HB3 TYR 31 HB3 TYR 31 12.256 1.091 -2.083 193 HD1 TYR 31 HD1 TYR 31 13.174 3.088 -1.231 194 HD2 TYR 31 HD2 TYR 31 14.838 -0.648 0.002 195 HE1 TYR 31 HE1 TYR 31 15.136 4.294 -0.307 196 HE2 TYR 31 HE2 TYR 31 16.833 0.548 0.890 197 HH TYR 31 HH TYR 31 17.881 3.224 0.152 198 H TYR 32 H TYR 32 9.517 -1.263 0.394 199 HA TYR 32 HA TYR 32 7.515 0.127 -1.084 200 HB2 TYR 32 HB2 TYR 32 8.813 -0.811 -3.029 201 HB3 TYR 32 HB3 TYR 32 8.717 -2.450 -2.293 202 HD1 TYR 32 HD2 TYR 32 6.660 0.360 -3.649 203 HD2 TYR 32 HD1 TYR 32 6.873 -3.825 -2.840 204 HE1 TYR 32 HE2 TYR 32 4.433 0.052 -4.706 205 HE2 TYR 32 HE1 TYR 32 4.688 -4.167 -3.932 206 HH TYR 32 HH TYR 32 3.132 -3.117 -5.363 207 H SER 33 H SER 33 5.434 -0.573 -0.545 208 HA SER 33 HA SER 33 5.017 -3.141 0.767 209 HB2 SER 33 HB2 SER 33 3.977 -0.517 2.005 210 HB3 SER 33 HB3 SER 33 3.760 -2.148 2.679 211 HG SER 33 HG SER 33 6.078 -2.123 3.052 212 H GLN 34 H GLN 34 3.007 -3.951 0.269 213 HA GLN 34 HA GLN 34 1.499 -2.317 -1.652 214 HB2 GLN 34 HB2 GLN 34 2.598 -4.921 -1.757 215 HB3 GLN 34 HB3 GLN 34 0.887 -5.236 -1.606 216 HG2 GLN 34 HG2 GLN 34 1.242 -3.074 -3.588 217 HG3 GLN 34 HG3 GLN 34 2.545 -4.294 -3.856 218 HE21 GLN 34 HE21 GLN 34 0.037 -3.494 -5.442 219 HE22 GLN 34 HE22 GLN 34 -0.627 -5.067 -5.799 220 H CYS 35 H CYS 35 -0.809 -3.038 -1.898 221 HA CYS 35 HA CYS 35 -2.141 -3.334 0.711 222 HB2 CYS 35 HB2 CYS 35 -2.855 -1.746 -1.830 223 HB3 CYS 35 HB3 CYS 35 -4.062 -2.016 -0.551 224 H LEU 36 H LEU 36 -3.363 -5.190 0.976 225 HA LEU 36 HA LEU 36 -4.299 -6.464 -1.517 226 HB2 LEU 36 HB2 LEU 36 -3.340 -8.105 0.848 227 HB3 LEU 36 HB3 LEU 36 -3.556 -8.563 -0.861 228 HG LEU 36 HG LEU 36 -1.239 -8.576 -0.311 229 HD11 LEU 36 HD11 LEU 36 -0.685 -7.730 -2.353 230 HD12 LEU 36 HD12 LEU 36 -1.014 -6.040 -1.832 231 HD13 LEU 36 HD13 LEU 36 -2.347 -7.045 -2.450 232 HD21 LEU 36 HD21 LEU 36 -1.692 -6.568 1.531 233 HD22 LEU 36 HD22 LEU 36 -0.833 -5.648 0.277 234 HD23 LEU 36 HD23 LEU 36 -0.069 -7.113 0.960 235 H1 MAN 101 H1 MAN 37 -10.019 2.063 2.167 236 H2 MAN 101 H2 MAN 37 -8.850 2.970 0.161 237 H3 MAN 101 H3 MAN 37 -9.306 5.329 0.874 238 H4 MAN 101 H4 MAN 37 -12.042 4.854 -0.308 239 H5 MAN 101 H5 MAN 37 -11.118 5.472 2.562 240 H61 MAN 101 H61 MAN 37 -13.815 4.500 1.468 241 H62 MAN 101 H62 MAN 37 -13.422 6.205 1.889 242 HO2 MAN 101 HO2 MAN 37 -11.644 2.827 -0.357 243 HO3 MAN 101 HO3 MAN 37 -9.883 4.834 -1.860 244 HO4 MAN 101 HO4 MAN 37 -10.577 7.140 0.384 245 HO6 MAN 101 HO6 MAN 37 -13.021 4.074 3.765 246 H1 MAN 102 H1 MAN 38 -7.998 2.566 -6.935 247 H2 MAN 102 H2 MAN 38 -6.223 0.858 -7.366 248 H3 MAN 102 H3 MAN 38 -4.661 1.773 -5.649 249 H4 MAN 102 H4 MAN 38 -4.114 3.909 -7.766 250 H5 MAN 102 H5 MAN 38 -5.365 4.153 -4.978 251 H61 MAN 102 H61 MAN 38 -5.135 6.200 -7.244 252 H62 MAN 102 H62 MAN 38 -4.136 6.170 -5.746 253 HO2 MAN 102 HO2 MAN 38 -6.071 3.310 -8.770 254 HO3 MAN 102 HO3 MAN 38 -2.875 1.114 -6.743 255 HO4 MAN 102 HO4 MAN 38 -2.273 3.767 -6.691 256 HO6 MAN 102 HO6 MAN 38 -6.997 6.363 -5.841 Start of MODEL 4 1 H1 THR 1 H1 THR 1 -8.364 6.316 2.958 2 H2 THR 1 H2 THR 1 -9.353 6.188 1.610 3 H3 THR 1 H3 THR 1 -7.927 7.104 1.486 4 HA THR 1 HA THR 1 -6.691 4.987 1.862 5 HB THR 1 HB THR 1 -8.311 2.852 1.481 6 HG21 THR 1 HG21 THR 1 -7.557 2.673 3.634 7 HG22 THR 1 HG22 THR 1 -9.126 3.340 4.097 8 HG23 THR 1 HG23 THR 1 -7.659 4.398 3.974 9 H GLN 2 H GLN 2 -6.668 3.061 -0.125 10 HA GLN 2 HA GLN 2 -7.597 4.394 -2.590 11 HB2 GLN 2 HB2 GLN 2 -5.473 3.654 -3.701 12 HB3 GLN 2 HB3 GLN 2 -5.257 4.855 -2.441 13 HG2 GLN 2 HG2 GLN 2 -5.026 2.278 -1.070 14 HG3 GLN 2 HG3 GLN 2 -4.136 2.069 -2.603 15 HE21 GLN 2 HE21 GLN 2 -4.248 3.839 0.474 16 HE22 GLN 2 HE22 GLN 2 -2.772 4.683 0.213 17 H SER 3 H SER 3 -5.804 1.711 -3.378 18 HA SER 3 HA SER 3 -8.268 0.113 -3.680 19 HB2 SER 3 HB2 SER 3 -6.104 -0.315 -5.708 20 HB3 SER 3 HB3 SER 3 -7.883 0.021 -5.949 21 H HIS 4 H HIS 4 -7.565 -2.141 -4.598 22 HA HIS 4 HA HIS 4 -5.902 -3.440 -2.611 23 HB2 HIS 4 HB2 HIS 4 -8.064 -4.411 -3.739 24 HB3 HIS 4 HB3 HIS 4 -7.083 -4.596 -5.233 25 HD1 HIS 4 HD1 HIS 4 -8.075 -7.164 -4.441 26 HD2 HIS 4 HD2 HIS 4 -4.945 -5.581 -2.170 27 HE1 HIS 4 HE1 HIS 4 -6.912 -9.113 -3.319 28 HE2 HIS 4 HE2 HIS 4 -5.406 -7.905 -1.652 29 H TYR 5 H TYR 5 -3.765 -4.192 -2.942 30 HA TYR 5 HA TYR 5 -1.838 -4.461 -3.769 31 HB2 TYR 5 HB2 TYR 5 -2.947 -4.252 -6.612 32 HB3 TYR 5 HB3 TYR 5 -1.359 -4.934 -6.124 33 HD1 TYR 5 HD1 TYR 5 -1.318 -7.033 -4.631 34 HD2 TYR 5 HD2 TYR 5 -4.884 -5.579 -6.525 35 HE1 TYR 5 HE1 TYR 5 -2.363 -9.234 -4.314 36 HE2 TYR 5 HE2 TYR 5 -5.928 -7.817 -6.243 37 HH TYR 5 HH TYR 5 -4.196 -10.521 -4.738 38 H GLY 6 H GLY 6 -3.285 -1.719 -3.600 39 HA2 GLY 6 HA2 GLY 6 -1.588 0.084 -5.039 40 HA3 GLY 6 HA3 GLY 6 -2.688 0.449 -3.646 41 H GLN 7 H GLN 7 -0.488 1.875 -3.483 42 HA GLN 7 HA GLN 7 1.489 0.273 -2.017 43 HB2 GLN 7 HB2 GLN 7 2.225 1.701 -3.836 44 HB3 GLN 7 HB3 GLN 7 1.501 3.137 -3.065 45 HG2 GLN 7 HG2 GLN 7 3.117 2.983 -1.157 46 HG3 GLN 7 HG3 GLN 7 3.702 1.388 -1.755 47 HE21 GLN 7 HE21 GLN 7 5.837 2.243 -1.949 48 HE22 GLN 7 HE22 GLN 7 6.247 3.369 -3.246 49 H CYS 8 H CYS 8 2.026 0.755 0.158 50 HA CYS 8 HA CYS 8 0.372 2.874 1.468 51 HB2 CYS 8 HB2 CYS 8 -0.007 1.444 3.419 52 HB3 CYS 8 HB3 CYS 8 -0.718 0.781 1.952 53 H GLY 9 H GLY 9 3.473 1.430 1.084 54 HA2 GLY 9 HA2 GLY 9 4.641 3.318 2.976 55 HA3 GLY 9 HA3 GLY 9 4.650 1.585 3.478 56 H GLY 10 H GLY 10 5.646 3.743 0.761 57 HA2 GLY 10 HA2 GLY 10 8.179 2.220 0.760 58 HA3 GLY 10 HA3 GLY 10 7.334 2.573 -0.796 59 H ILE 11 H ILE 11 9.918 3.635 0.095 60 HA ILE 11 HA ILE 11 9.808 6.224 0.968 61 HB ILE 11 HB ILE 11 11.500 4.720 -1.035 62 HG12 ILE 11 HG12 ILE 11 11.517 4.371 1.587 63 HG13 ILE 11 HG13 ILE 11 13.063 4.505 0.715 64 HG21 ILE 11 HG21 ILE 11 11.825 7.698 -0.301 65 HG22 ILE 11 HG22 ILE 11 11.718 6.965 -1.941 66 HG23 ILE 11 HG23 ILE 11 13.173 6.683 -0.934 67 HD11 ILE 11 HD11 ILE 11 12.974 5.840 2.878 68 HD12 ILE 11 HD12 ILE 11 11.762 6.928 2.101 69 HD13 ILE 11 HD13 ILE 11 13.430 6.796 1.431 70 H GLY 12 H GLY 12 9.051 5.121 -2.317 71 HA2 GLY 12 HA2 GLY 12 8.382 7.870 -3.166 72 HA3 GLY 12 HA3 GLY 12 8.347 6.360 -4.148 73 H TYR 13 H TYR 13 6.751 7.548 -1.116 74 HA TYR 13 HA TYR 13 4.202 7.038 -2.463 75 HB2 TYR 13 HB2 TYR 13 4.946 4.941 -1.139 76 HB3 TYR 13 HB3 TYR 13 4.947 5.963 0.345 77 HD1 TYR 13 HD1 TYR 13 2.696 5.550 -2.663 78 HD2 TYR 13 HD2 TYR 13 3.068 5.557 1.641 79 HE1 TYR 13 HE1 TYR 13 0.258 5.215 -2.445 80 HE2 TYR 13 HE2 TYR 13 0.602 5.271 1.825 81 HH TYR 13 HH TYR 13 -1.210 4.318 -0.816 82 H SER 14 H SER 14 2.738 8.599 -2.091 83 HA SER 14 HA SER 14 2.952 10.204 0.398 84 HB2 SER 14 HB2 SER 14 2.578 11.274 -2.470 85 HB3 SER 14 HB3 SER 14 2.323 12.267 -0.985 86 HG SER 14 HG SER 14 4.772 10.927 -1.525 87 H GLY 15 H GLY 15 1.059 8.047 -1.132 88 HA2 GLY 15 HA2 GLY 15 -1.457 9.508 -1.015 89 HA3 GLY 15 HA3 GLY 15 -1.178 7.776 -1.431 90 HA PRO 16 HA PRO 16 -3.126 8.232 2.820 91 HB2 PRO 16 HB2 PRO 16 -4.846 5.956 1.959 92 HB3 PRO 16 HB3 PRO 16 -5.350 7.628 2.433 93 HG2 PRO 16 HG2 PRO 16 -4.820 6.407 -0.301 94 HG3 PRO 16 HG3 PRO 16 -5.874 7.814 0.082 95 HD2 PRO 16 HD2 PRO 16 -3.429 8.014 -1.164 96 HD3 PRO 16 HD3 PRO 16 -3.996 9.313 -0.016 97 H THR 17 H THR 17 -2.310 7.070 4.645 98 HA THR 17 HA THR 17 -0.615 4.862 3.967 99 HB THR 17 HB THR 17 -1.323 5.907 6.753 100 HG1 THR 17 HG1 THR 17 0.427 6.866 4.751 101 HG21 THR 17 HG21 THR 17 0.095 3.954 6.964 102 HG22 THR 17 HG22 THR 17 1.234 5.330 7.012 103 HG23 THR 17 HG23 THR 17 1.050 4.362 5.497 104 H VAL 18 H VAL 18 -3.610 4.591 3.839 105 HA VAL 18 HA VAL 18 -3.866 1.988 5.145 106 HB VAL 18 HB VAL 18 -5.977 4.213 5.338 107 HG11 VAL 18 HG11 VAL 18 -7.479 2.621 6.176 108 HG12 VAL 18 HG12 VAL 18 -6.195 1.696 7.013 109 HG13 VAL 18 HG13 VAL 18 -6.490 1.429 5.268 110 HG21 VAL 18 HG21 VAL 18 -5.570 4.007 7.850 111 HG22 VAL 18 HG22 VAL 18 -4.163 4.679 6.956 112 HG23 VAL 18 HG23 VAL 18 -4.151 2.961 7.485 113 H CYS 19 H CYS 19 -4.814 0.595 3.615 114 HA CYS 19 HA CYS 19 -5.537 1.830 1.035 115 HB2 CYS 19 HB2 CYS 19 -4.355 -0.812 1.879 116 HB3 CYS 19 HB3 CYS 19 -5.224 -0.686 0.312 117 H ALA 20 H ALA 20 -7.242 0.360 -0.160 118 HA ALA 20 HA ALA 20 -9.651 0.895 0.377 119 HB1 ALA 20 HB1 ALA 20 -9.402 -1.998 -0.272 120 HB2 ALA 20 HB2 ALA 20 -8.549 -0.834 -1.327 121 HB3 ALA 20 HB3 ALA 20 -10.332 -0.695 -1.095 122 H SER 21 H SER 21 -11.581 0.405 1.658 123 HA SER 21 HA SER 21 -11.117 -0.480 4.229 124 HB2 SER 21 HB2 SER 21 -13.686 -0.140 2.628 125 HB3 SER 21 HB3 SER 21 -13.686 -0.494 4.402 126 HG SER 21 HG SER 21 -13.711 1.784 3.952 127 H GLY 22 H GLY 22 -10.870 -2.532 1.863 128 HA2 GLY 22 HA2 GLY 22 -11.498 -4.898 3.483 129 HA3 GLY 22 HA3 GLY 22 -11.840 -4.846 1.711 130 H THR 23 H THR 23 -9.032 -3.056 2.434 131 HA THR 23 HA THR 23 -7.312 -5.350 1.790 132 HB THR 23 HB THR 23 -5.809 -3.933 0.430 133 HG1 THR 23 HG1 THR 23 -7.374 -2.057 1.448 134 HG21 THR 23 HG21 THR 23 -8.681 -4.438 -0.428 135 HG22 THR 23 HG22 THR 23 -7.131 -4.929 -1.179 136 HG23 THR 23 HG23 THR 23 -7.744 -3.261 -1.414 137 H THR 24 H THR 24 -5.495 -5.471 2.910 138 HA THR 24 HA THR 24 -5.005 -3.541 5.091 139 HB THR 24 HB THR 24 -5.198 -5.967 5.529 140 HG1 THR 24 HG1 THR 24 -2.891 -6.077 6.447 141 HG21 THR 24 HG21 THR 24 -3.753 -7.568 4.612 142 HG22 THR 24 HG22 THR 24 -2.386 -6.392 4.381 143 HG23 THR 24 HG23 THR 24 -3.756 -6.402 3.260 144 H CYS 25 H CYS 25 -2.336 -3.732 5.552 145 HA CYS 25 HA CYS 25 -0.901 -2.915 3.100 146 HB2 CYS 25 HB2 CYS 25 -1.447 -0.809 4.123 147 HB3 CYS 25 HB3 CYS 25 -1.132 -1.427 5.769 148 H GLN 26 H GLN 26 0.811 -4.282 2.837 149 HA GLN 26 HA GLN 26 2.215 -5.151 5.280 150 HB2 GLN 26 HB2 GLN 26 1.725 -7.003 2.907 151 HB3 GLN 26 HB3 GLN 26 2.646 -7.394 4.380 152 HG2 GLN 26 HG2 GLN 26 0.645 -7.302 5.807 153 HG3 GLN 26 HG3 GLN 26 -0.345 -6.653 4.463 154 HE21 GLN 26 HE21 GLN 26 -1.763 -8.228 3.793 155 HE22 GLN 26 HE22 GLN 26 -1.345 -9.914 3.610 156 H VAL 27 H VAL 27 4.399 -5.123 5.160 157 HA VAL 27 HA VAL 27 5.490 -3.597 3.080 158 HB VAL 27 HB VAL 27 6.834 -4.995 5.396 159 HG11 VAL 27 HG11 VAL 27 7.955 -2.938 3.361 160 HG12 VAL 27 HG12 VAL 27 8.560 -4.607 3.671 161 HG13 VAL 27 HG13 VAL 27 8.737 -3.339 4.927 162 HG21 VAL 27 HG21 VAL 27 5.154 -2.580 5.197 163 HG22 VAL 27 HG22 VAL 27 6.831 -2.077 5.540 164 HG23 VAL 27 HG23 VAL 27 6.009 -3.241 6.640 165 H LEU 28 H LEU 28 6.934 -3.930 1.474 166 HA LEU 28 HA LEU 28 7.107 -6.748 0.614 167 HB2 LEU 28 HB2 LEU 28 6.397 -4.297 -0.761 168 HB3 LEU 28 HB3 LEU 28 8.001 -4.716 -1.395 169 HG LEU 28 HG LEU 28 6.642 -5.721 -2.907 170 HD11 LEU 28 HD11 LEU 28 6.712 -8.154 -1.079 171 HD12 LEU 28 HD12 LEU 28 8.266 -7.389 -1.564 172 HD13 LEU 28 HD13 LEU 28 7.137 -8.010 -2.823 173 HD21 LEU 28 HD21 LEU 28 4.522 -5.242 -1.570 174 HD22 LEU 28 HD22 LEU 28 4.784 -6.792 -0.694 175 HD23 LEU 28 HD23 LEU 28 4.508 -6.802 -2.476 176 H ASN 29 H ASN 29 9.008 -3.755 0.299 177 HA ASN 29 HA ASN 29 11.451 -5.240 1.013 178 HB2 ASN 29 HB2 ASN 29 11.705 -3.159 -1.223 179 HB3 ASN 29 HB3 ASN 29 12.645 -4.663 -0.930 180 HD21 ASN 29 HD21 ASN 29 10.482 -3.264 -3.059 181 HD22 ASN 29 HD22 ASN 29 9.829 -4.751 -3.715 182 HA PRO 30 HA PRO 30 12.053 -1.536 3.328 183 HB2 PRO 30 HB2 PRO 30 14.870 -0.932 2.406 184 HB3 PRO 30 HB3 PRO 30 14.326 -1.551 4.004 185 HG2 PRO 30 HG2 PRO 30 15.729 -3.103 2.127 186 HG3 PRO 30 HG3 PRO 30 14.589 -3.792 3.354 187 HD2 PRO 30 HD2 PRO 30 14.078 -3.205 0.401 188 HD3 PRO 30 HD3 PRO 30 13.534 -4.614 1.425 189 H TYR 31 H TYR 31 11.633 -1.258 0.231 190 HA TYR 31 HA TYR 31 11.673 1.677 0.156 191 HB2 TYR 31 HB2 TYR 31 12.873 -0.269 -1.915 192 HB3 TYR 31 HB3 TYR 31 12.327 1.374 -2.416 193 HD1 TYR 31 HD1 TYR 31 13.263 3.375 -1.380 194 HD2 TYR 31 HD2 TYR 31 14.963 -0.493 -0.618 195 HE1 TYR 31 HE1 TYR 31 15.306 4.453 -0.482 196 HE2 TYR 31 HE2 TYR 31 17.018 0.595 0.258 197 HH TYR 31 HH TYR 31 17.925 3.581 -0.311 198 H TYR 32 H TYR 32 9.699 -1.039 0.113 199 HA TYR 32 HA TYR 32 7.627 0.411 -1.189 200 HB2 TYR 32 HB2 TYR 32 8.685 -0.452 -3.274 201 HB3 TYR 32 HB3 TYR 32 8.721 -2.109 -2.572 202 HD1 TYR 32 HD2 TYR 32 6.393 0.658 -3.475 203 HD2 TYR 32 HD1 TYR 32 6.905 -3.555 -3.042 204 HE1 TYR 32 HE2 TYR 32 4.028 0.304 -4.192 205 HE2 TYR 32 HE1 TYR 32 4.582 -3.934 -3.820 206 HH TYR 32 HH TYR 32 2.822 -2.663 -5.173 207 H SER 33 H SER 33 5.560 -0.283 -0.550 208 HA SER 33 HA SER 33 5.242 -2.904 0.655 209 HB2 SER 33 HB2 SER 33 4.346 -0.348 2.132 210 HB3 SER 33 HB3 SER 33 3.983 -2.023 2.640 211 HG SER 33 HG SER 33 6.087 -0.535 3.261 212 H GLN 34 H GLN 34 3.092 -3.641 0.367 213 HA GLN 34 HA GLN 34 1.447 -1.798 -1.248 214 HB2 GLN 34 HB2 GLN 34 1.060 -3.349 -2.895 215 HB3 GLN 34 HB3 GLN 34 2.768 -3.695 -2.498 216 HG2 GLN 34 HG2 GLN 34 2.083 -5.670 -1.079 217 HG3 GLN 34 HG3 GLN 34 0.364 -5.385 -1.479 218 HE21 GLN 34 HE21 GLN 34 0.343 -4.812 -4.161 219 HE22 GLN 34 HE22 GLN 34 0.894 -6.252 -5.002 220 H CYS 35 H CYS 35 -0.755 -2.805 -1.587 221 HA CYS 35 HA CYS 35 -1.779 -3.602 1.040 222 HB2 CYS 35 HB2 CYS 35 -3.154 -2.110 -1.281 223 HB3 CYS 35 HB3 CYS 35 -3.819 -2.410 0.365 224 H LEU 36 H LEU 36 -3.413 -5.098 1.421 225 HA LEU 36 HA LEU 36 -3.922 -6.863 -0.881 226 HB2 LEU 36 HB2 LEU 36 -3.331 -7.966 1.884 227 HB3 LEU 36 HB3 LEU 36 -3.543 -8.824 0.342 228 HG LEU 36 HG LEU 36 -1.257 -8.890 0.968 229 HD11 LEU 36 HD11 LEU 36 -1.968 -8.344 -1.528 230 HD12 LEU 36 HD12 LEU 36 -0.218 -8.263 -1.070 231 HD13 LEU 36 HD13 LEU 36 -1.187 -6.763 -1.230 232 HD21 LEU 36 HD21 LEU 36 -1.538 -6.474 2.251 233 HD22 LEU 36 HD22 LEU 36 -0.628 -5.937 0.806 234 HD23 LEU 36 HD23 LEU 36 0.042 -7.230 1.841 235 H1 MAN 101 H1 MAN 37 -10.429 2.125 1.832 236 H2 MAN 101 H2 MAN 37 -9.506 2.866 -0.356 237 H3 MAN 101 H3 MAN 37 -10.195 5.214 -0.050 238 H4 MAN 101 H4 MAN 37 -12.948 4.271 -0.876 239 H5 MAN 101 H5 MAN 37 -11.981 5.337 1.848 240 H61 MAN 101 H61 MAN 37 -14.581 3.980 0.966 241 H62 MAN 101 H62 MAN 37 -14.351 5.743 1.297 242 HO2 MAN 101 HO2 MAN 37 -12.296 2.295 -0.656 243 HO3 MAN 101 HO3 MAN 37 -10.057 5.545 -2.113 244 HO4 MAN 101 HO4 MAN 37 -12.553 6.365 -1.497 245 HO6 MAN 101 HO6 MAN 37 -15.182 4.590 3.161 246 H1 MAN 102 H1 MAN 38 -7.491 1.729 -7.655 247 H2 MAN 102 H2 MAN 38 -5.707 -0.037 -7.717 248 H3 MAN 102 H3 MAN 38 -4.294 1.116 -5.993 249 H4 MAN 102 H4 MAN 38 -3.585 2.929 -8.352 250 H5 MAN 102 H5 MAN 38 -4.941 3.474 -5.665 251 H61 MAN 102 H61 MAN 38 -4.687 5.302 -8.108 252 H62 MAN 102 H62 MAN 38 -3.686 5.426 -6.613 253 HO2 MAN 102 HO2 MAN 38 -5.932 0.724 -9.723 254 HO3 MAN 102 HO3 MAN 38 -2.325 0.529 -6.973 255 HO4 MAN 102 HO4 MAN 38 -1.888 3.395 -7.184 256 HO6 MAN 102 HO6 MAN 38 -6.541 5.476 -6.651 Start of MODEL 5 1 H1 THR 1 H1 THR 1 -8.343 5.706 3.556 2 H2 THR 1 H2 THR 1 -7.365 6.694 2.561 3 H3 THR 1 H3 THR 1 -6.760 6.110 4.067 4 HA THR 1 HA THR 1 -5.925 4.456 2.836 5 HB THR 1 HB THR 1 -7.830 2.682 2.119 6 HG21 THR 1 HG21 THR 1 -8.537 2.165 4.411 7 HG22 THR 1 HG22 THR 1 -7.855 3.718 5.030 8 HG23 THR 1 HG23 THR 1 -6.795 2.477 4.286 9 H GLN 2 H GLN 2 -6.296 3.027 0.534 10 HA GLN 2 HA GLN 2 -7.155 4.920 -1.571 11 HB2 GLN 2 HB2 GLN 2 -5.182 3.855 -2.893 12 HB3 GLN 2 HB3 GLN 2 -4.852 4.989 -1.579 13 HG2 GLN 2 HG2 GLN 2 -4.471 2.841 -0.030 14 HG3 GLN 2 HG3 GLN 2 -4.423 1.893 -1.540 15 HE21 GLN 2 HE21 GLN 2 -3.105 4.325 -3.001 16 HE22 GLN 2 HE22 GLN 2 -1.535 4.356 -2.272 17 H SER 3 H SER 3 -5.834 1.814 -2.406 18 HA SER 3 HA SER 3 -8.537 0.802 -3.035 19 HB2 SER 3 HB2 SER 3 -6.508 0.581 -5.251 20 HB3 SER 3 HB3 SER 3 -8.309 0.874 -5.353 21 H HIS 4 H HIS 4 -8.001 -1.315 -4.521 22 HA HIS 4 HA HIS 4 -6.430 -3.015 -2.732 23 HB2 HIS 4 HB2 HIS 4 -8.757 -3.615 -3.700 24 HB3 HIS 4 HB3 HIS 4 -7.971 -3.787 -5.306 25 HD1 HIS 4 HD1 HIS 4 -9.369 -6.181 -4.072 26 HD2 HIS 4 HD2 HIS 4 -5.395 -5.326 -3.010 27 HE1 HIS 4 HE1 HIS 4 -8.382 -8.290 -3.113 28 HE2 HIS 4 HE2 HIS 4 -6.248 -7.484 -2.059 29 H TYR 5 H TYR 5 -4.374 -3.628 -3.220 30 HA TYR 5 HA TYR 5 -2.589 -4.131 -4.186 31 HB2 TYR 5 HB2 TYR 5 -3.839 -3.695 -6.949 32 HB3 TYR 5 HB3 TYR 5 -2.321 -4.582 -6.588 33 HD1 TYR 5 HD1 TYR 5 -2.497 -6.601 -4.897 34 HD2 TYR 5 HD2 TYR 5 -5.841 -4.873 -6.967 35 HE1 TYR 5 HE1 TYR 5 -3.787 -8.678 -4.538 36 HE2 TYR 5 HE2 TYR 5 -7.136 -6.966 -6.612 37 HH TYR 5 HH TYR 5 -5.816 -9.670 -4.719 38 H GLY 6 H GLY 6 -3.657 -1.257 -3.802 39 HA2 GLY 6 HA2 GLY 6 -1.784 0.356 -5.279 40 HA3 GLY 6 HA3 GLY 6 -2.722 0.828 -3.809 41 H GLN 7 H GLN 7 -0.253 1.846 -3.924 42 HA GLN 7 HA GLN 7 1.485 0.037 -2.381 43 HB2 GLN 7 HB2 GLN 7 2.468 1.372 -4.250 44 HB3 GLN 7 HB3 GLN 7 1.819 2.876 -3.538 45 HG2 GLN 7 HG2 GLN 7 3.277 2.646 -1.523 46 HG3 GLN 7 HG3 GLN 7 3.842 1.027 -2.097 47 HE21 GLN 7 HE21 GLN 7 5.966 2.214 -1.851 48 HE22 GLN 7 HE22 GLN 7 6.516 3.159 -3.237 49 H CYS 8 H CYS 8 1.487 0.270 -0.100 50 HA CYS 8 HA CYS 8 0.158 2.746 0.943 51 HB2 CYS 8 HB2 CYS 8 -1.153 1.295 1.976 52 HB3 CYS 8 HB3 CYS 8 -0.087 -0.105 1.634 53 H GLY 9 H GLY 9 3.256 1.210 0.695 54 HA2 GLY 9 HA2 GLY 9 4.361 3.209 2.548 55 HA3 GLY 9 HA3 GLY 9 4.276 1.516 3.161 56 H GLY 10 H GLY 10 5.791 3.691 0.803 57 HA2 GLY 10 HA2 GLY 10 8.096 1.902 0.929 58 HA3 GLY 10 HA3 GLY 10 7.446 2.326 -0.708 59 H ILE 11 H ILE 11 10.019 3.132 0.254 60 HA ILE 11 HA ILE 11 10.042 5.770 1.123 61 HB ILE 11 HB ILE 11 11.806 4.031 -0.593 62 HG12 ILE 11 HG12 ILE 11 11.493 3.877 2.029 63 HG13 ILE 11 HG13 ILE 11 13.135 3.819 1.347 64 HG21 ILE 11 HG21 ILE 11 12.291 6.183 -1.608 65 HG22 ILE 11 HG22 ILE 11 13.602 5.890 -0.418 66 HG23 ILE 11 HG23 ILE 11 12.262 7.027 -0.019 67 HD11 ILE 11 HD11 ILE 11 11.893 6.436 2.401 68 HD12 ILE 11 HD12 ILE 11 13.611 6.128 1.950 69 HD13 ILE 11 HD13 ILE 11 12.909 5.321 3.390 70 H GLY 12 H GLY 12 9.458 4.555 -2.145 71 HA2 GLY 12 HA2 GLY 12 9.111 7.289 -3.197 72 HA3 GLY 12 HA3 GLY 12 8.973 5.730 -4.084 73 H TYR 13 H TYR 13 7.326 6.997 -1.120 74 HA TYR 13 HA TYR 13 4.802 6.744 -2.598 75 HB2 TYR 13 HB2 TYR 13 5.286 4.644 -1.135 76 HB3 TYR 13 HB3 TYR 13 5.249 5.744 0.295 77 HD1 TYR 13 HD1 TYR 13 3.262 5.199 -2.864 78 HD2 TYR 13 HD2 TYR 13 3.203 5.771 1.407 79 HE1 TYR 13 HE1 TYR 13 0.789 5.237 -2.897 80 HE2 TYR 13 HE2 TYR 13 0.737 5.744 1.361 81 HH TYR 13 HH TYR 13 -1.051 4.767 -0.288 82 H SER 14 H SER 14 3.554 8.476 -2.417 83 HA SER 14 HA SER 14 3.874 10.252 -0.064 84 HB2 SER 14 HB2 SER 14 3.804 11.046 -3.026 85 HB3 SER 14 HB3 SER 14 3.624 12.231 -1.669 86 HG SER 14 HG SER 14 5.847 11.742 -2.620 87 H GLY 15 H GLY 15 1.820 8.187 -0.702 88 HA2 GLY 15 HA2 GLY 15 -0.570 9.948 -0.902 89 HA3 GLY 15 HA3 GLY 15 -0.434 8.271 -1.549 90 HA PRO 16 HA PRO 16 -2.387 8.126 2.678 91 HB2 PRO 16 HB2 PRO 16 -4.395 6.251 1.770 92 HB3 PRO 16 HB3 PRO 16 -4.610 8.042 1.947 93 HG2 PRO 16 HG2 PRO 16 -3.740 6.426 -0.517 94 HG3 PRO 16 HG3 PRO 16 -5.041 7.693 -0.441 95 HD2 PRO 16 HD2 PRO 16 -2.587 8.277 -1.394 96 HD3 PRO 16 HD3 PRO 16 -3.306 9.442 -0.187 97 H THR 17 H THR 17 -1.078 6.894 3.983 98 HA THR 17 HA THR 17 -0.042 4.439 3.043 99 HB THR 17 HB THR 17 1.555 4.623 4.666 100 HG1 THR 17 HG1 THR 17 -0.420 4.967 6.372 101 HG21 THR 17 HG21 THR 17 2.127 6.958 4.979 102 HG22 THR 17 HG22 THR 17 0.425 7.491 4.899 103 HG23 THR 17 HG23 THR 17 1.262 6.906 3.402 104 H VAL 18 H VAL 18 -2.767 4.116 3.149 105 HA VAL 18 HA VAL 18 -3.052 1.998 5.156 106 HB VAL 18 HB VAL 18 -5.339 4.001 4.881 107 HG11 VAL 18 HG11 VAL 18 -5.613 1.501 5.798 108 HG12 VAL 18 HG12 VAL 18 -6.215 2.825 6.841 109 HG13 VAL 18 HG13 VAL 18 -4.629 2.059 7.190 110 HG21 VAL 18 HG21 VAL 18 -4.673 4.879 7.162 111 HG22 VAL 18 HG22 VAL 18 -3.552 5.366 5.835 112 HG23 VAL 18 HG23 VAL 18 -3.095 4.039 6.968 113 H CYS 19 H CYS 19 -4.225 0.317 4.295 114 HA CYS 19 HA CYS 19 -4.802 0.539 1.463 115 HB2 CYS 19 HB2 CYS 19 -4.625 -1.677 3.555 116 HB3 CYS 19 HB3 CYS 19 -4.915 -2.036 1.839 117 H ALA 20 H ALA 20 -6.750 -0.094 0.523 118 HA ALA 20 HA ALA 20 -9.023 1.104 1.033 119 HB1 ALA 20 HB1 ALA 20 -9.164 -1.748 0.040 120 HB2 ALA 20 HB2 ALA 20 -8.380 -0.463 -0.923 121 HB3 ALA 20 HB3 ALA 20 -10.123 -0.323 -0.497 122 H SER 21 H SER 21 -11.286 0.475 1.807 123 HA SER 21 HA SER 21 -11.029 -0.450 4.482 124 HB2 SER 21 HB2 SER 21 -12.642 1.294 3.488 125 HB3 SER 21 HB3 SER 21 -13.645 -0.093 2.919 126 HG SER 21 HG SER 21 -14.332 0.611 4.971 127 H GLY 22 H GLY 22 -10.738 -2.293 1.969 128 HA2 GLY 22 HA2 GLY 22 -11.625 -4.753 3.271 129 HA3 GLY 22 HA3 GLY 22 -11.878 -4.511 1.501 130 H THR 23 H THR 23 -8.952 -2.987 2.624 131 HA THR 23 HA THR 23 -7.419 -5.349 1.893 132 HB THR 23 HB THR 23 -5.810 -4.157 0.570 133 HG1 THR 23 HG1 THR 23 -6.442 -2.265 -0.482 134 HG21 THR 23 HG21 THR 23 -8.278 -5.099 -0.325 135 HG22 THR 23 HG22 THR 23 -6.880 -4.622 -1.329 136 HG23 THR 23 HG23 THR 23 -8.238 -3.454 -1.068 137 H THR 24 H THR 24 -5.272 -5.414 2.656 138 HA THR 24 HA THR 24 -4.756 -3.643 4.996 139 HB THR 24 HB THR 24 -5.366 -5.961 5.568 140 HG1 THR 24 HG1 THR 24 -3.651 -4.700 6.735 141 HG21 THR 24 HG21 THR 24 -3.728 -6.664 3.318 142 HG22 THR 24 HG22 THR 24 -4.463 -7.776 4.506 143 HG23 THR 24 HG23 THR 24 -2.783 -7.174 4.746 144 H CYS 25 H CYS 25 -2.523 -3.161 5.623 145 HA CYS 25 HA CYS 25 -0.789 -2.728 3.327 146 HB2 CYS 25 HB2 CYS 25 -0.645 -1.974 6.308 147 HB3 CYS 25 HB3 CYS 25 0.684 -1.621 5.173 148 H GLN 26 H GLN 26 0.279 -4.599 2.703 149 HA GLN 26 HA GLN 26 1.815 -5.937 4.874 150 HB2 GLN 26 HB2 GLN 26 1.214 -7.264 2.217 151 HB3 GLN 26 HB3 GLN 26 1.786 -7.999 3.731 152 HG2 GLN 26 HG2 GLN 26 -0.426 -7.572 4.836 153 HG3 GLN 26 HG3 GLN 26 -1.032 -6.753 3.371 154 HE21 GLN 26 HE21 GLN 26 -2.222 -9.073 4.620 155 HE22 GLN 26 HE22 GLN 26 -2.218 -10.308 3.380 156 H VAL 27 H VAL 27 3.893 -5.580 4.819 157 HA VAL 27 HA VAL 27 5.109 -3.991 2.892 158 HB VAL 27 HB VAL 27 6.420 -5.786 4.974 159 HG11 VAL 27 HG11 VAL 27 8.103 -5.015 3.322 160 HG12 VAL 27 HG12 VAL 27 8.280 -4.034 4.808 161 HG13 VAL 27 HG13 VAL 27 7.452 -3.334 3.372 162 HG21 VAL 27 HG21 VAL 27 5.265 -2.916 5.070 163 HG22 VAL 27 HG22 VAL 27 6.472 -3.516 6.257 164 HG23 VAL 27 HG23 VAL 27 4.861 -4.304 6.140 165 H LEU 28 H LEU 28 6.577 -4.329 1.263 166 HA LEU 28 HA LEU 28 6.637 -7.098 0.246 167 HB2 LEU 28 HB2 LEU 28 6.019 -4.557 -1.003 168 HB3 LEU 28 HB3 LEU 28 7.634 -4.977 -1.622 169 HG LEU 28 HG LEU 28 6.318 -5.907 -3.229 170 HD11 LEU 28 HD11 LEU 28 7.806 -7.680 -1.910 171 HD12 LEU 28 HD12 LEU 28 6.674 -8.206 -3.206 172 HD13 LEU 28 HD13 LEU 28 6.207 -8.389 -1.475 173 HD21 LEU 28 HD21 LEU 28 4.104 -5.594 -2.674 174 HD22 LEU 28 HD22 LEU 28 4.299 -6.222 -0.992 175 HD23 LEU 28 HD23 LEU 28 4.176 -7.366 -2.377 176 H ASN 29 H ASN 29 8.627 -4.155 0.187 177 HA ASN 29 HA ASN 29 11.021 -5.779 0.751 178 HB2 ASN 29 HB2 ASN 29 11.306 -3.444 -1.220 179 HB3 ASN 29 HB3 ASN 29 12.264 -4.964 -1.084 180 HD21 ASN 29 HD21 ASN 29 10.924 -3.540 -3.445 181 HD22 ASN 29 HD22 ASN 29 9.899 -4.782 -4.128 182 HA PRO 30 HA PRO 30 11.582 -2.437 3.537 183 HB2 PRO 30 HB2 PRO 30 14.443 -1.816 2.642 184 HB3 PRO 30 HB3 PRO 30 13.874 -2.366 4.254 185 HG2 PRO 30 HG2 PRO 30 15.220 -4.049 2.504 186 HG3 PRO 30 HG3 PRO 30 13.906 -4.656 3.591 187 HD2 PRO 30 HD2 PRO 30 13.744 -3.977 0.614 188 HD3 PRO 30 HD3 PRO 30 12.987 -5.348 1.548 189 H TYR 31 H TYR 31 11.433 -1.752 0.425 190 HA TYR 31 HA TYR 31 11.414 1.174 0.716 191 HB2 TYR 31 HB2 TYR 31 12.742 -0.490 -1.527 192 HB3 TYR 31 HB3 TYR 31 12.294 1.238 -1.764 193 HD1 TYR 31 HD2 TYR 31 14.361 -1.053 0.420 194 HD2 TYR 31 HD1 TYR 31 13.703 2.953 -0.982 195 HE1 TYR 31 HE2 TYR 31 16.338 -0.278 1.689 196 HE2 TYR 31 HE1 TYR 31 15.714 3.708 0.240 197 HH TYR 31 HH TYR 31 17.780 2.786 1.189 198 H TYR 32 H TYR 32 9.421 -1.449 0.346 199 HA TYR 32 HA TYR 32 7.502 0.082 -1.126 200 HB2 TYR 32 HB2 TYR 32 8.838 -0.888 -3.049 201 HB3 TYR 32 HB3 TYR 32 8.587 -2.532 -2.359 202 HD1 TYR 32 HD2 TYR 32 6.719 0.484 -3.560 203 HD2 TYR 32 HD1 TYR 32 6.767 -3.764 -3.206 204 HE1 TYR 32 HE2 TYR 32 4.510 0.371 -4.702 205 HE2 TYR 32 HE1 TYR 32 4.580 -3.905 -4.348 206 HH TYR 32 HH TYR 32 2.774 -0.940 -5.255 207 H SER 33 H SER 33 5.364 -0.537 -0.604 208 HA SER 33 HA SER 33 4.901 -3.139 0.617 209 HB2 SER 33 HB2 SER 33 3.965 -0.559 2.026 210 HB3 SER 33 HB3 SER 33 3.512 -2.230 2.485 211 HG SER 33 HG SER 33 5.751 -0.768 3.070 212 H GLN 34 H GLN 34 2.847 -3.876 0.208 213 HA GLN 34 HA GLN 34 1.304 -2.223 -1.657 214 HB2 GLN 34 HB2 GLN 34 2.241 -4.970 -1.717 215 HB3 GLN 34 HB3 GLN 34 0.487 -4.994 -1.792 216 HG2 GLN 34 HG2 GLN 34 0.849 -3.037 -3.665 217 HG3 GLN 34 HG3 GLN 34 2.504 -3.722 -3.693 218 HE21 GLN 34 HE21 GLN 34 -0.361 -3.896 -5.299 219 HE22 GLN 34 HE22 GLN 34 -0.288 -5.576 -5.803 220 H CYS 35 H CYS 35 -0.995 -2.874 -1.841 221 HA CYS 35 HA CYS 35 -2.271 -3.229 0.792 222 HB2 CYS 35 HB2 CYS 35 -3.006 -1.590 -1.725 223 HB3 CYS 35 HB3 CYS 35 -4.250 -1.927 -0.471 224 H LEU 36 H LEU 36 -3.405 -5.119 1.087 225 HA LEU 36 HA LEU 36 -4.457 -6.350 -1.393 226 HB2 LEU 36 HB2 LEU 36 -3.355 -7.942 0.951 227 HB3 LEU 36 HB3 LEU 36 -3.738 -8.473 -0.714 228 HG LEU 36 HG LEU 36 -1.391 -8.480 -0.414 229 HD11 LEU 36 HD11 LEU 36 -1.381 -5.883 -1.943 230 HD12 LEU 36 HD12 LEU 36 -2.575 -7.082 -2.520 231 HD13 LEU 36 HD13 LEU 36 -0.821 -7.519 -2.434 232 HD21 LEU 36 HD21 LEU 36 -0.958 -5.545 0.175 233 HD22 LEU 36 HD22 LEU 36 -0.106 -7.008 0.754 234 HD23 LEU 36 HD23 LEU 36 -1.698 -6.527 1.458 235 H1 MAN 101 H1 MAN 37 -10.061 2.204 2.417 236 H2 MAN 101 H2 MAN 37 -8.954 3.094 0.366 237 H3 MAN 101 H3 MAN 37 -9.492 5.448 0.937 238 H4 MAN 101 H4 MAN 37 -12.265 4.772 -0.068 239 H5 MAN 101 H5 MAN 37 -11.232 5.603 2.706 240 H61 MAN 101 H61 MAN 37 -13.955 4.631 1.688 241 H62 MAN 101 H62 MAN 37 -13.538 6.295 2.225 242 HO2 MAN 101 HO2 MAN 37 -10.345 2.398 -1.063 243 HO3 MAN 101 HO3 MAN 37 -10.260 4.854 -1.723 244 HO4 MAN 101 HO4 MAN 37 -10.904 7.191 0.506 245 HO6 MAN 101 HO6 MAN 37 -12.871 4.952 4.302 246 H1 MAN 102 H1 MAN 38 -7.879 2.692 -6.979 247 H2 MAN 102 H2 MAN 38 -5.936 1.124 -7.083 248 H3 MAN 102 H3 MAN 38 -4.754 2.200 -5.151 249 H4 MAN 102 H4 MAN 38 -4.030 4.342 -7.210 250 H5 MAN 102 H5 MAN 38 -5.748 4.500 -4.681 251 H61 MAN 102 H61 MAN 38 -5.397 6.587 -6.879 252 H62 MAN 102 H62 MAN 38 -4.481 6.584 -5.331 253 HO2 MAN 102 HO2 MAN 38 -6.289 3.146 -8.744 254 HO3 MAN 102 HO3 MAN 38 -3.609 0.904 -6.928 255 HO4 MAN 102 HO4 MAN 38 -2.412 3.983 -5.736 256 HO6 MAN 102 HO6 MAN 38 -7.339 6.514 -5.493 Start of MODEL 6 1 H1 THR 1 H1 THR 1 -8.047 6.330 2.267 2 H2 THR 1 H2 THR 1 -6.477 6.626 2.844 3 H3 THR 1 H3 THR 1 -7.606 5.757 3.798 4 HA THR 1 HA THR 1 -5.898 4.434 2.622 5 HB THR 1 HB THR 1 -7.792 2.662 1.955 6 HG21 THR 1 HG21 THR 1 -6.875 2.665 4.214 7 HG22 THR 1 HG22 THR 1 -8.622 2.378 4.254 8 HG23 THR 1 HG23 THR 1 -7.967 3.979 4.759 9 H GLN 2 H GLN 2 -5.977 2.831 0.355 10 HA GLN 2 HA GLN 2 -6.798 4.596 -1.904 11 HB2 GLN 2 HB2 GLN 2 -4.998 3.014 -3.218 12 HB3 GLN 2 HB3 GLN 2 -4.629 4.495 -2.482 13 HG2 GLN 2 HG2 GLN 2 -4.528 1.837 -0.790 14 HG3 GLN 2 HG3 GLN 2 -3.244 2.138 -2.006 15 HE21 GLN 2 HE21 GLN 2 -3.552 5.115 -1.463 16 HE22 GLN 2 HE22 GLN 2 -2.534 5.300 -0.090 17 H SER 3 H SER 3 -5.708 1.320 -2.351 18 HA SER 3 HA SER 3 -8.364 0.402 -3.103 19 HB2 SER 3 HB2 SER 3 -6.355 0.149 -5.358 20 HB3 SER 3 HB3 SER 3 -8.151 0.475 -5.426 21 H HIS 4 H HIS 4 -7.702 -1.748 -4.619 22 HA HIS 4 HA HIS 4 -6.136 -3.371 -2.754 23 HB2 HIS 4 HB2 HIS 4 -8.394 -4.072 -3.866 24 HB3 HIS 4 HB3 HIS 4 -7.471 -4.249 -5.398 25 HD1 HIS 4 HD1 HIS 4 -8.769 -6.716 -4.380 26 HD2 HIS 4 HD2 HIS 4 -5.130 -5.545 -2.666 27 HE1 HIS 4 HE1 HIS 4 -7.731 -8.774 -3.319 28 HE2 HIS 4 HE2 HIS 4 -5.840 -7.791 -1.965 29 H TYR 5 H TYR 5 -4.049 -3.930 -3.133 30 HA TYR 5 HA TYR 5 -2.172 -4.293 -3.964 31 HB2 TYR 5 HB2 TYR 5 -3.208 -3.996 -6.820 32 HB3 TYR 5 HB3 TYR 5 -1.738 -4.876 -6.270 33 HD1 TYR 5 HD1 TYR 5 -2.137 -6.863 -4.543 34 HD2 TYR 5 HD2 TYR 5 -5.206 -5.134 -7.005 35 HE1 TYR 5 HE1 TYR 5 -3.479 -8.937 -4.336 36 HE2 TYR 5 HE2 TYR 5 -6.551 -7.198 -6.785 37 HH TYR 5 HH TYR 5 -6.611 -9.320 -6.013 38 H GLY 6 H GLY 6 -3.476 -1.509 -3.769 39 HA2 GLY 6 HA2 GLY 6 -1.707 0.224 -5.234 40 HA3 GLY 6 HA3 GLY 6 -2.788 0.656 -3.847 41 H GLN 7 H GLN 7 -0.418 1.941 -3.772 42 HA GLN 7 HA GLN 7 1.399 0.264 -2.188 43 HB2 GLN 7 HB2 GLN 7 2.249 1.650 -4.038 44 HB3 GLN 7 HB3 GLN 7 1.604 3.122 -3.261 45 HG2 GLN 7 HG2 GLN 7 3.166 2.831 -1.320 46 HG3 GLN 7 HG3 GLN 7 3.667 1.217 -1.945 47 HE21 GLN 7 HE21 GLN 7 5.845 2.158 -1.887 48 HE22 GLN 7 HE22 GLN 7 6.363 3.190 -3.226 49 H CYS 8 H CYS 8 1.780 0.703 0.036 50 HA CYS 8 HA CYS 8 0.232 2.965 1.228 51 HB2 CYS 8 HB2 CYS 8 -0.379 1.562 3.135 52 HB3 CYS 8 HB3 CYS 8 -0.969 0.934 1.582 53 H GLY 9 H GLY 9 3.268 1.370 0.971 54 HA2 GLY 9 HA2 GLY 9 4.470 3.209 2.882 55 HA3 GLY 9 HA3 GLY 9 4.414 1.476 3.384 56 H GLY 10 H GLY 10 5.683 3.711 0.853 57 HA2 GLY 10 HA2 GLY 10 8.046 1.940 0.837 58 HA3 GLY 10 HA3 GLY 10 7.302 2.428 -0.732 59 H ILE 11 H ILE 11 9.941 3.143 0.336 60 HA ILE 11 HA ILE 11 10.039 5.735 1.256 61 HB ILE 11 HB ILE 11 11.732 4.051 -0.598 62 HG12 ILE 11 HG12 ILE 11 11.463 3.710 2.015 63 HG13 ILE 11 HG13 ILE 11 13.085 3.646 1.286 64 HG21 ILE 11 HG21 ILE 11 12.279 6.255 -1.457 65 HG22 ILE 11 HG22 ILE 11 13.589 5.841 -0.304 66 HG23 ILE 11 HG23 ILE 11 12.283 6.982 0.189 67 HD11 ILE 11 HD11 ILE 11 11.976 6.233 2.540 68 HD12 ILE 11 HD12 ILE 11 13.674 5.868 2.055 69 HD13 ILE 11 HD13 ILE 11 12.940 5.006 3.447 70 H GLY 12 H GLY 12 9.504 4.692 -2.094 71 HA2 GLY 12 HA2 GLY 12 9.035 7.505 -2.926 72 HA3 GLY 12 HA3 GLY 12 9.174 6.051 -3.985 73 H TYR 13 H TYR 13 7.170 7.263 -1.241 74 HA TYR 13 HA TYR 13 4.841 6.550 -2.866 75 HB2 TYR 13 HB2 TYR 13 5.342 4.682 -1.183 76 HB3 TYR 13 HB3 TYR 13 5.275 5.913 0.127 77 HD1 TYR 13 HD1 TYR 13 3.116 5.492 -2.945 78 HD2 TYR 13 HD2 TYR 13 3.389 5.342 1.371 79 HE1 TYR 13 HE1 TYR 13 0.676 5.405 -2.792 80 HE2 TYR 13 HE2 TYR 13 0.908 5.243 1.486 81 HH TYR 13 HH TYR 13 -0.849 4.339 -0.430 82 H SER 14 H SER 14 3.378 8.165 -3.010 83 HA SER 14 HA SER 14 3.270 10.150 -0.811 84 HB2 SER 14 HB2 SER 14 3.214 10.798 -3.821 85 HB3 SER 14 HB3 SER 14 3.039 11.981 -2.471 86 HG SER 14 HG SER 14 5.234 10.545 -2.019 87 H GLY 15 H GLY 15 1.490 8.363 -0.388 88 HA2 GLY 15 HA2 GLY 15 -0.961 9.663 -1.188 89 HA3 GLY 15 HA3 GLY 15 -0.744 7.932 -1.698 90 HA PRO 16 HA PRO 16 -2.733 8.276 2.540 91 HB2 PRO 16 HB2 PRO 16 -4.268 5.939 1.395 92 HB3 PRO 16 HB3 PRO 16 -4.899 7.387 2.256 93 HG2 PRO 16 HG2 PRO 16 -4.796 6.873 -0.631 94 HG3 PRO 16 HG3 PRO 16 -5.382 8.369 0.154 95 HD2 PRO 16 HD2 PRO 16 -2.994 8.014 -1.406 96 HD3 PRO 16 HD3 PRO 16 -3.391 9.462 -0.374 97 H THR 17 H THR 17 -1.912 7.136 4.390 98 HA THR 17 HA THR 17 -0.107 4.997 3.722 99 HB THR 17 HB THR 17 0.481 5.309 6.214 100 HG1 THR 17 HG1 THR 17 -0.494 6.944 7.194 101 HG21 THR 17 HG21 THR 17 0.605 7.459 4.002 102 HG22 THR 17 HG22 THR 17 1.890 6.375 4.619 103 HG23 THR 17 HG23 THR 17 1.323 7.764 5.618 104 H VAL 18 H VAL 18 -2.895 4.294 3.472 105 HA VAL 18 HA VAL 18 -3.134 2.144 5.435 106 HB VAL 18 HB VAL 18 -5.490 4.066 4.995 107 HG11 VAL 18 HG11 VAL 18 -5.752 1.490 5.837 108 HG12 VAL 18 HG12 VAL 18 -6.597 2.782 6.730 109 HG13 VAL 18 HG13 VAL 18 -5.052 2.124 7.363 110 HG21 VAL 18 HG21 VAL 18 -3.531 4.078 7.348 111 HG22 VAL 18 HG22 VAL 18 -5.142 4.882 7.346 112 HG23 VAL 18 HG23 VAL 18 -3.861 5.426 6.201 113 H CYS 19 H CYS 19 -4.453 0.430 4.489 114 HA CYS 19 HA CYS 19 -4.716 0.751 1.590 115 HB2 CYS 19 HB2 CYS 19 -4.523 -1.504 3.613 116 HB3 CYS 19 HB3 CYS 19 -4.937 -1.877 1.930 117 H ALA 20 H ALA 20 -6.602 -0.174 0.513 118 HA ALA 20 HA ALA 20 -8.902 1.094 0.815 119 HB1 ALA 20 HB1 ALA 20 -9.068 -1.790 -0.030 120 HB2 ALA 20 HB2 ALA 20 -8.151 -0.610 -0.998 121 HB3 ALA 20 HB3 ALA 20 -9.911 -0.355 -0.719 122 H SER 21 H SER 21 -11.191 0.520 1.528 123 HA SER 21 HA SER 21 -11.007 -0.250 4.259 124 HB2 SER 21 HB2 SER 21 -12.635 1.403 2.989 125 HB3 SER 21 HB3 SER 21 -13.656 -0.060 2.736 126 HG SER 21 HG SER 21 -14.282 0.791 4.679 127 H GLY 22 H GLY 22 -10.746 -2.200 1.807 128 HA2 GLY 22 HA2 GLY 22 -11.656 -4.604 3.200 129 HA3 GLY 22 HA3 GLY 22 -11.891 -4.415 1.421 130 H THR 23 H THR 23 -8.946 -2.890 2.473 131 HA THR 23 HA THR 23 -7.453 -5.309 1.839 132 HB THR 23 HB THR 23 -5.825 -4.237 0.473 133 HG1 THR 23 HG1 THR 23 -6.199 -2.281 -0.480 134 HG21 THR 23 HG21 THR 23 -8.520 -4.804 -0.382 135 HG22 THR 23 HG22 THR 23 -7.014 -4.824 -1.330 136 HG23 THR 23 HG23 THR 23 -8.014 -3.326 -1.281 137 H THR 24 H THR 24 -5.446 -5.508 2.804 138 HA THR 24 HA THR 24 -4.949 -3.676 5.088 139 HB THR 24 HB THR 24 -5.278 -5.945 5.823 140 HG1 THR 24 HG1 THR 24 -3.504 -4.894 6.835 141 HG21 THR 24 HG21 THR 24 -3.402 -6.576 3.484 142 HG22 THR 24 HG22 THR 24 -4.944 -7.347 3.972 143 HG23 THR 24 HG23 THR 24 -3.444 -7.680 4.896 144 H CYS 25 H CYS 25 -2.730 -3.005 5.662 145 HA CYS 25 HA CYS 25 -1.037 -2.659 3.279 146 HB2 CYS 25 HB2 CYS 25 -1.608 -0.579 4.582 147 HB3 CYS 25 HB3 CYS 25 -0.932 -1.323 6.054 148 H GLN 26 H GLN 26 0.263 -4.349 2.951 149 HA GLN 26 HA GLN 26 1.771 -5.302 5.326 150 HB2 GLN 26 HB2 GLN 26 1.297 -7.025 2.873 151 HB3 GLN 26 HB3 GLN 26 1.909 -7.501 4.481 152 HG2 GLN 26 HG2 GLN 26 -0.376 -6.996 5.499 153 HG3 GLN 26 HG3 GLN 26 -1.017 -6.601 3.889 154 HE21 GLN 26 HE21 GLN 26 0.063 -8.606 2.281 155 HE22 GLN 26 HE22 GLN 26 -0.567 -10.147 2.830 156 H VAL 27 H VAL 27 3.904 -5.205 5.203 157 HA VAL 27 HA VAL 27 5.083 -3.765 3.156 158 HB VAL 27 HB VAL 27 6.378 -5.339 5.394 159 HG11 VAL 27 HG11 VAL 27 8.230 -4.941 3.973 160 HG12 VAL 27 HG12 VAL 27 8.200 -3.397 4.902 161 HG13 VAL 27 HG13 VAL 27 7.522 -3.451 3.250 162 HG21 VAL 27 HG21 VAL 27 4.779 -3.527 6.187 163 HG22 VAL 27 HG22 VAL 27 5.655 -2.328 5.183 164 HG23 VAL 27 HG23 VAL 27 6.490 -3.129 6.547 165 H LEU 28 H LEU 28 6.446 -4.161 1.479 166 HA LEU 28 HA LEU 28 6.482 -6.975 0.577 167 HB2 LEU 28 HB2 LEU 28 5.866 -4.446 -0.758 168 HB3 LEU 28 HB3 LEU 28 7.343 -5.072 -1.518 169 HG LEU 28 HG LEU 28 5.868 -7.383 -1.419 170 HD11 LEU 28 HD11 LEU 28 3.964 -5.001 -1.933 171 HD12 LEU 28 HD12 LEU 28 3.859 -6.180 -0.573 172 HD13 LEU 28 HD13 LEU 28 3.599 -6.733 -2.271 173 HD21 LEU 28 HD21 LEU 28 7.196 -6.316 -3.348 174 HD22 LEU 28 HD22 LEU 28 5.690 -5.406 -3.767 175 HD23 LEU 28 HD23 LEU 28 5.690 -7.196 -3.785 176 H ASN 29 H ASN 29 8.482 -4.132 -0.034 177 HA ASN 29 HA ASN 29 10.878 -5.790 0.471 178 HB2 ASN 29 HB2 ASN 29 10.923 -3.406 -1.481 179 HB3 ASN 29 HB3 ASN 29 11.992 -4.861 -1.429 180 HD21 ASN 29 HD21 ASN 29 10.348 -3.580 -3.667 181 HD22 ASN 29 HD22 ASN 29 9.371 -4.911 -4.244 182 HA PRO 30 HA PRO 30 11.845 -2.553 3.276 183 HB2 PRO 30 HB2 PRO 30 14.614 -1.956 2.160 184 HB3 PRO 30 HB3 PRO 30 14.183 -2.667 3.751 185 HG2 PRO 30 HG2 PRO 30 15.314 -4.156 1.673 186 HG3 PRO 30 HG3 PRO 30 14.172 -4.869 2.885 187 HD2 PRO 30 HD2 PRO 30 13.593 -3.958 0.031 188 HD3 PRO 30 HD3 PRO 30 12.963 -5.402 0.952 189 H TYR 31 H TYR 31 11.495 -1.790 0.156 190 HA TYR 31 HA TYR 31 11.502 1.123 0.578 191 HB2 TYR 31 HB2 TYR 31 12.683 -0.446 -1.809 192 HB3 TYR 31 HB3 TYR 31 12.231 1.292 -1.947 193 HD1 TYR 31 HD2 TYR 31 14.444 -1.106 -0.057 194 HD2 TYR 31 HD1 TYR 31 13.626 2.986 -1.074 195 HE1 TYR 31 HE2 TYR 31 16.509 -0.396 1.111 196 HE2 TYR 31 HE1 TYR 31 15.708 3.683 0.060 197 HH TYR 31 HH TYR 31 17.868 2.716 0.745 198 H TYR 32 H TYR 32 9.445 -1.418 0.287 199 HA TYR 32 HA TYR 32 7.485 0.177 -1.068 200 HB2 TYR 32 HB2 TYR 32 8.669 -0.774 -3.075 201 HB3 TYR 32 HB3 TYR 32 8.429 -2.430 -2.411 202 HD1 TYR 32 HD2 TYR 32 6.655 0.602 -3.667 203 HD2 TYR 32 HD1 TYR 32 6.411 -3.576 -2.863 204 HE1 TYR 32 HE2 TYR 32 4.349 0.565 -4.609 205 HE2 TYR 32 HE1 TYR 32 4.139 -3.652 -3.863 206 HH TYR 32 HH TYR 32 2.631 -0.802 -5.302 207 H SER 33 H SER 33 5.325 -0.432 -0.537 208 HA SER 33 HA SER 33 4.830 -3.035 0.647 209 HB2 SER 33 HB2 SER 33 4.080 -0.456 2.172 210 HB3 SER 33 HB3 SER 33 3.626 -2.113 2.641 211 HG SER 33 HG SER 33 6.354 -1.478 2.248 212 H GLN 34 H GLN 34 2.600 -3.598 0.385 213 HA GLN 34 HA GLN 34 1.146 -1.623 -1.248 214 HB2 GLN 34 HB2 GLN 34 0.674 -3.113 -2.958 215 HB3 GLN 34 HB3 GLN 34 2.372 -3.481 -2.600 216 HG2 GLN 34 HG2 GLN 34 1.664 -5.510 -1.236 217 HG3 GLN 34 HG3 GLN 34 -0.039 -5.143 -1.537 218 HE21 GLN 34 HE21 GLN 34 0.032 -4.414 -4.291 219 HE22 GLN 34 HE22 GLN 34 0.328 -5.923 -5.132 220 H CYS 35 H CYS 35 -1.075 -2.522 -1.698 221 HA CYS 35 HA CYS 35 -2.308 -3.211 0.859 222 HB2 CYS 35 HB2 CYS 35 -3.332 -1.873 -1.720 223 HB3 CYS 35 HB3 CYS 35 -4.361 -2.192 -0.288 224 H LEU 36 H LEU 36 -3.450 -5.081 1.254 225 HA LEU 36 HA LEU 36 -4.100 -6.723 -1.124 226 HB2 LEU 36 HB2 LEU 36 -3.315 -7.751 1.643 227 HB3 LEU 36 HB3 LEU 36 -3.583 -8.686 0.146 228 HG LEU 36 HG LEU 36 -1.262 -8.620 0.574 229 HD11 LEU 36 HD11 LEU 36 -1.636 -6.527 -1.647 230 HD12 LEU 36 HD12 LEU 36 -2.080 -8.250 -1.838 231 HD13 LEU 36 HD13 LEU 36 -0.364 -7.790 -1.507 232 HD21 LEU 36 HD21 LEU 36 0.052 -6.807 1.289 233 HD22 LEU 36 HD22 LEU 36 -1.560 -6.283 1.922 234 HD23 LEU 36 HD23 LEU 36 -0.916 -5.601 0.415 235 H1 MAN 101 H1 MAN 37 -10.027 2.275 2.066 236 H2 MAN 101 H2 MAN 37 -8.778 2.998 0.031 237 H3 MAN 101 H3 MAN 37 -9.253 5.417 0.470 238 H4 MAN 101 H4 MAN 37 -11.962 4.829 -0.711 239 H5 MAN 101 H5 MAN 37 -11.128 5.720 2.116 240 H61 MAN 101 H61 MAN 37 -13.763 4.705 0.912 241 H62 MAN 101 H62 MAN 37 -13.376 6.404 1.367 242 HO2 MAN 101 HO2 MAN 37 -10.544 2.714 -1.531 243 HO3 MAN 101 HO3 MAN 37 -9.327 4.322 -2.093 244 HO4 MAN 101 HO4 MAN 37 -10.749 6.894 -1.033 245 HO6 MAN 101 HO6 MAN 37 -12.867 4.934 3.530 246 H1 MAN 102 H1 MAN 38 -7.767 2.280 -7.067 247 H2 MAN 102 H2 MAN 38 -5.880 0.664 -7.270 248 H3 MAN 102 H3 MAN 38 -4.551 1.693 -5.426 249 H4 MAN 102 H4 MAN 38 -3.923 3.855 -7.503 250 H5 MAN 102 H5 MAN 38 -5.451 4.043 -4.866 251 H61 MAN 102 H61 MAN 38 -5.207 6.076 -7.127 252 H62 MAN 102 H62 MAN 38 -4.222 6.101 -5.618 253 HO2 MAN 102 HO2 MAN 38 -4.950 1.550 -9.095 254 HO3 MAN 102 HO3 MAN 38 -2.995 1.598 -7.817 255 HO4 MAN 102 HO4 MAN 38 -2.174 3.571 -6.164 256 HO6 MAN 102 HO6 MAN 38 -7.081 6.081 -5.709 Start of MODEL 7 1 H1 THR 1 H1 THR 1 -10.099 5.613 -0.467 2 H2 THR 1 H2 THR 1 -10.159 6.066 1.169 3 H3 THR 1 H3 THR 1 -10.265 4.450 0.765 4 HA THR 1 HA THR 1 -7.936 6.237 0.898 5 HB THR 1 HB THR 1 -8.004 3.173 1.084 6 HG21 THR 1 HG21 THR 1 -5.823 5.131 1.032 7 HG22 THR 1 HG22 THR 1 -5.727 3.361 1.068 8 HG23 THR 1 HG23 THR 1 -5.836 4.290 2.600 9 H GLN 2 H GLN 2 -6.303 3.869 -0.686 10 HA GLN 2 HA GLN 2 -6.773 5.111 -3.282 11 HB2 GLN 2 HB2 GLN 2 -4.659 3.857 -3.884 12 HB3 GLN 2 HB3 GLN 2 -4.476 4.999 -2.589 13 HG2 GLN 2 HG2 GLN 2 -5.238 2.239 -1.520 14 HG3 GLN 2 HG3 GLN 2 -3.785 2.186 -2.553 15 HE21 GLN 2 HE21 GLN 2 -4.142 5.206 -0.832 16 HE22 GLN 2 HE22 GLN 2 -3.055 4.782 0.425 17 H SER 3 H SER 3 -5.477 2.149 -3.770 18 HA SER 3 HA SER 3 -7.980 0.841 -4.574 19 HB2 SER 3 HB2 SER 3 -5.622 0.142 -6.256 20 HB3 SER 3 HB3 SER 3 -7.256 0.794 -6.746 21 H HIS 4 H HIS 4 -7.222 -1.514 -5.393 22 HA HIS 4 HA HIS 4 -6.008 -2.871 -3.108 23 HB2 HIS 4 HB2 HIS 4 -8.141 -3.714 -4.288 24 HB3 HIS 4 HB3 HIS 4 -7.168 -3.940 -5.784 25 HD1 HIS 4 HD1 HIS 4 -8.355 -6.444 -5.138 26 HD2 HIS 4 HD2 HIS 4 -5.206 -5.197 -2.683 27 HE1 HIS 4 HE1 HIS 4 -7.439 -8.505 -3.988 28 HE2 HIS 4 HE2 HIS 4 -5.963 -7.436 -2.198 29 H TYR 5 H TYR 5 -3.877 -3.862 -3.256 30 HA TYR 5 HA TYR 5 -1.904 -4.272 -3.985 31 HB2 TYR 5 HB2 TYR 5 -2.842 -4.112 -6.876 32 HB3 TYR 5 HB3 TYR 5 -1.342 -4.877 -6.251 33 HD1 TYR 5 HD1 TYR 5 -1.681 -6.748 -4.382 34 HD2 TYR 5 HD2 TYR 5 -4.732 -5.446 -7.111 35 HE1 TYR 5 HE1 TYR 5 -2.868 -8.885 -4.061 36 HE2 TYR 5 HE2 TYR 5 -5.919 -7.609 -6.798 37 HH TYR 5 HH TYR 5 -4.658 -10.140 -4.637 38 H GLY 6 H GLY 6 -3.120 -1.499 -3.760 39 HA2 GLY 6 HA2 GLY 6 -1.268 0.194 -5.198 40 HA3 GLY 6 HA3 GLY 6 -2.399 0.652 -3.858 41 H GLN 7 H GLN 7 -0.196 1.945 -3.503 42 HA GLN 7 HA GLN 7 1.656 0.267 -1.950 43 HB2 GLN 7 HB2 GLN 7 2.486 1.755 -3.777 44 HB3 GLN 7 HB3 GLN 7 1.765 3.165 -2.964 45 HG2 GLN 7 HG2 GLN 7 3.290 2.925 -1.011 46 HG3 GLN 7 HG3 GLN 7 3.875 1.328 -1.628 47 HE21 GLN 7 HE21 GLN 7 6.015 2.381 -1.529 48 HE22 GLN 7 HE22 GLN 7 6.499 3.400 -2.890 49 H CYS 8 H CYS 8 1.872 0.653 0.308 50 HA CYS 8 HA CYS 8 0.306 2.954 1.410 51 HB2 CYS 8 HB2 CYS 8 -0.332 1.499 3.349 52 HB3 CYS 8 HB3 CYS 8 -1.011 1.046 1.786 53 H GLY 9 H GLY 9 3.344 1.413 1.264 54 HA2 GLY 9 HA2 GLY 9 4.367 3.132 3.394 55 HA3 GLY 9 HA3 GLY 9 4.345 1.361 3.744 56 H GLY 10 H GLY 10 5.456 3.740 1.282 57 HA2 GLY 10 HA2 GLY 10 8.024 2.316 1.335 58 HA3 GLY 10 HA3 GLY 10 7.234 2.555 -0.262 59 H ILE 11 H ILE 11 9.564 3.683 -0.105 60 HA ILE 11 HA ILE 11 9.495 6.244 1.139 61 HB ILE 11 HB ILE 11 11.707 6.331 0.659 62 HG12 ILE 11 HG12 ILE 11 11.741 6.599 -1.734 63 HG13 ILE 11 HG13 ILE 11 12.898 5.348 -1.260 64 HG21 ILE 11 HG21 ILE 11 12.659 4.144 1.026 65 HG22 ILE 11 HG22 ILE 11 11.322 3.321 0.174 66 HG23 ILE 11 HG23 ILE 11 11.046 4.087 1.790 67 HD11 ILE 11 HD11 ILE 11 12.001 4.054 -2.955 68 HD12 ILE 11 HD12 ILE 11 10.632 5.176 -3.158 69 HD13 ILE 11 HD13 ILE 11 10.531 3.853 -1.942 70 H GLY 12 H GLY 12 8.320 5.018 -1.719 71 HA2 GLY 12 HA2 GLY 12 8.359 7.575 -3.234 72 HA3 GLY 12 HA3 GLY 12 8.256 5.901 -3.924 73 H TYR 13 H TYR 13 6.598 7.468 -1.191 74 HA TYR 13 HA TYR 13 4.073 6.926 -2.551 75 HB2 TYR 13 HB2 TYR 13 4.826 4.962 -0.995 76 HB3 TYR 13 HB3 TYR 13 4.807 6.127 0.371 77 HD1 TYR 13 HD1 TYR 13 2.593 5.534 -2.639 78 HD2 TYR 13 HD2 TYR 13 2.892 5.640 1.673 79 HE1 TYR 13 HE1 TYR 13 0.155 5.332 -2.461 80 HE2 TYR 13 HE2 TYR 13 0.422 5.365 1.816 81 HH TYR 13 HH TYR 13 -1.155 4.117 -0.330 82 H SER 14 H SER 14 2.665 8.585 -2.403 83 HA SER 14 HA SER 14 2.910 10.432 -0.123 84 HB2 SER 14 HB2 SER 14 2.717 12.384 -1.709 85 HB3 SER 14 HB3 SER 14 4.234 11.436 -1.888 86 HG SER 14 HG SER 14 2.111 11.727 -3.656 87 H GLY 15 H GLY 15 1.009 8.448 -0.174 88 HA2 GLY 15 HA2 GLY 15 -1.439 10.042 -0.528 89 HA3 GLY 15 HA3 GLY 15 -1.301 8.347 -1.153 90 HA PRO 16 HA PRO 16 -3.034 8.430 3.215 91 HB2 PRO 16 HB2 PRO 16 -4.924 6.375 2.352 92 HB3 PRO 16 HB3 PRO 16 -5.307 8.066 2.782 93 HG2 PRO 16 HG2 PRO 16 -4.777 6.843 0.027 94 HG3 PRO 16 HG3 PRO 16 -5.890 8.199 0.445 95 HD2 PRO 16 HD2 PRO 16 -3.479 8.574 -0.789 96 HD3 PRO 16 HD3 PRO 16 -4.030 9.754 0.486 97 H THR 17 H THR 17 -2.461 6.965 4.895 98 HA THR 17 HA THR 17 -0.647 4.942 4.032 99 HB THR 17 HB THR 17 -1.511 5.596 6.890 100 HG1 THR 17 HG1 THR 17 0.390 6.968 6.680 101 HG21 THR 17 HG21 THR 17 0.670 3.967 5.585 102 HG22 THR 17 HG22 THR 17 0.042 3.920 7.257 103 HG23 THR 17 HG23 THR 17 1.297 5.129 6.803 104 H VAL 18 H VAL 18 -3.571 4.389 3.637 105 HA VAL 18 HA VAL 18 -3.711 1.782 5.026 106 HB VAL 18 HB VAL 18 -6.271 3.386 4.511 107 HG11 VAL 18 HG11 VAL 18 -5.498 0.696 5.631 108 HG12 VAL 18 HG12 VAL 18 -7.110 1.287 5.107 109 HG13 VAL 18 HG13 VAL 18 -6.525 1.648 6.756 110 HG21 VAL 18 HG21 VAL 18 -5.177 4.871 5.986 111 HG22 VAL 18 HG22 VAL 18 -4.391 3.533 6.913 112 HG23 VAL 18 HG23 VAL 18 -6.154 3.817 7.073 113 H CYS 19 H CYS 19 -6.087 0.973 3.528 114 HA CYS 19 HA CYS 19 -5.184 1.346 0.733 115 HB2 CYS 19 HB2 CYS 19 -5.807 -1.319 2.008 116 HB3 CYS 19 HB3 CYS 19 -5.048 -0.946 0.423 117 H ALA 20 H ALA 20 -6.988 0.950 -0.827 118 HA ALA 20 HA ALA 20 -9.461 1.891 -0.355 119 HB1 ALA 20 HB1 ALA 20 -9.956 1.149 -2.485 120 HB2 ALA 20 HB2 ALA 20 -9.389 -0.540 -2.158 121 HB3 ALA 20 HB3 ALA 20 -8.206 0.743 -2.438 122 H SER 21 H SER 21 -11.643 1.186 0.271 123 HA SER 21 HA SER 21 -12.860 0.076 1.820 124 HB2 SER 21 HB2 SER 21 -12.605 -1.892 -0.502 125 HB3 SER 21 HB3 SER 21 -14.044 -1.678 0.596 126 HG SER 21 HG SER 21 -14.015 -0.505 -1.515 127 H GLY 22 H GLY 22 -12.420 -3.195 1.068 128 HA2 GLY 22 HA2 GLY 22 -11.179 -3.759 3.659 129 HA3 GLY 22 HA3 GLY 22 -11.960 -4.887 2.504 130 H THR 23 H THR 23 -9.248 -2.610 1.889 131 HA THR 23 HA THR 23 -7.608 -5.015 1.314 132 HB THR 23 HB THR 23 -5.966 -3.616 0.120 133 HG1 THR 23 HG1 THR 23 -8.030 -1.768 0.502 134 HG21 THR 23 HG21 THR 23 -8.172 -3.033 -1.710 135 HG22 THR 23 HG22 THR 23 -8.570 -4.558 -0.827 136 HG23 THR 23 HG23 THR 23 -7.011 -4.394 -1.698 137 H THR 24 H THR 24 -5.749 -5.406 2.389 138 HA THR 24 HA THR 24 -5.232 -3.857 4.854 139 HB THR 24 HB THR 24 -3.881 -6.506 4.042 140 HG1 THR 24 HG1 THR 24 -6.459 -6.087 4.989 141 HG21 THR 24 HG21 THR 24 -2.887 -5.552 6.084 142 HG22 THR 24 HG22 THR 24 -4.085 -6.753 6.661 143 HG23 THR 24 HG23 THR 24 -4.508 -5.003 6.683 144 H CYS 25 H CYS 25 -2.799 -3.522 5.475 145 HA CYS 25 HA CYS 25 -1.191 -2.930 3.053 146 HB2 CYS 25 HB2 CYS 25 -1.759 -0.903 4.390 147 HB3 CYS 25 HB3 CYS 25 -1.197 -1.700 5.877 148 H GLN 26 H GLN 26 0.475 -4.365 2.719 149 HA GLN 26 HA GLN 26 1.757 -5.515 5.120 150 HB2 GLN 26 HB2 GLN 26 1.262 -7.018 2.512 151 HB3 GLN 26 HB3 GLN 26 2.165 -7.627 3.935 152 HG2 GLN 26 HG2 GLN 26 0.087 -7.470 5.362 153 HG3 GLN 26 HG3 GLN 26 -0.837 -6.860 3.944 154 HE21 GLN 26 HE21 GLN 26 -2.295 -8.629 3.840 155 HE22 GLN 26 HE22 GLN 26 -1.755 -10.229 3.398 156 H VAL 27 H VAL 27 3.935 -5.592 5.160 157 HA VAL 27 HA VAL 27 5.271 -3.885 3.371 158 HB VAL 27 HB VAL 27 6.361 -5.624 5.596 159 HG11 VAL 27 HG11 VAL 27 8.286 -5.234 4.265 160 HG12 VAL 27 HG12 VAL 27 8.306 -3.826 5.382 161 HG13 VAL 27 HG13 VAL 27 7.730 -3.615 3.696 162 HG21 VAL 27 HG21 VAL 27 6.529 -3.179 6.618 163 HG22 VAL 27 HG22 VAL 27 4.923 -3.987 6.590 164 HG23 VAL 27 HG23 VAL 27 5.315 -2.732 5.370 165 H LEU 28 H LEU 28 6.728 -4.134 1.759 166 HA LEU 28 HA LEU 28 6.882 -6.880 0.692 167 HB2 LEU 28 HB2 LEU 28 6.142 -4.417 -0.522 168 HB3 LEU 28 HB3 LEU 28 7.813 -4.603 -1.070 169 HG LEU 28 HG LEU 28 6.711 -5.624 -2.771 170 HD11 LEU 28 HD11 LEU 28 8.259 -7.354 -1.422 171 HD12 LEU 28 HD12 LEU 28 7.250 -7.898 -2.806 172 HD13 LEU 28 HD13 LEU 28 6.688 -8.181 -1.118 173 HD21 LEU 28 HD21 LEU 28 4.627 -6.979 -2.506 174 HD22 LEU 28 HD22 LEU 28 4.447 -5.329 -1.800 175 HD23 LEU 28 HD23 LEU 28 4.698 -6.749 -0.719 176 H ASN 29 H ASN 29 8.843 -3.911 0.637 177 HA ASN 29 HA ASN 29 11.236 -5.454 1.359 178 HB2 ASN 29 HB2 ASN 29 12.051 -3.450 -0.648 179 HB3 ASN 29 HB3 ASN 29 12.293 -5.222 -0.633 180 HD21 ASN 29 HD21 ASN 29 11.037 -2.726 -2.466 181 HD22 ASN 29 HD22 ASN 29 9.937 -3.698 -3.419 182 HA PRO 30 HA PRO 30 11.860 -1.849 3.794 183 HB2 PRO 30 HB2 PRO 30 14.716 -1.277 3.100 184 HB3 PRO 30 HB3 PRO 30 14.074 -2.086 4.568 185 HG2 PRO 30 HG2 PRO 30 15.553 -3.373 2.500 186 HG3 PRO 30 HG3 PRO 30 14.495 -4.202 3.713 187 HD2 PRO 30 HD2 PRO 30 13.885 -3.473 0.827 188 HD3 PRO 30 HD3 PRO 30 13.339 -4.909 1.810 189 H TYR 31 H TYR 31 11.494 -1.480 0.720 190 HA TYR 31 HA TYR 31 11.727 1.426 0.740 191 HB2 TYR 31 HB2 TYR 31 13.028 -0.508 -1.231 192 HB3 TYR 31 HB3 TYR 31 12.321 0.990 -1.931 193 HD1 TYR 31 HD2 TYR 31 15.019 -0.293 0.350 194 HD2 TYR 31 HD1 TYR 31 13.128 3.114 -1.403 195 HE1 TYR 31 HE2 TYR 31 16.907 1.143 1.084 196 HE2 TYR 31 HE1 TYR 31 14.984 4.568 -0.631 197 HH TYR 31 HH TYR 31 17.630 3.307 1.342 198 H TYR 32 H TYR 32 9.596 -1.166 0.530 199 HA TYR 32 HA TYR 32 7.612 0.439 -0.710 200 HB2 TYR 32 HB2 TYR 32 8.706 -0.309 -2.843 201 HB3 TYR 32 HB3 TYR 32 8.686 -1.992 -2.222 202 HD1 TYR 32 HD2 TYR 32 6.464 0.775 -3.320 203 HD2 TYR 32 HD1 TYR 32 6.904 -3.420 -2.695 204 HE1 TYR 32 HE2 TYR 32 4.169 0.410 -4.216 205 HE2 TYR 32 HE1 TYR 32 4.659 -3.815 -3.657 206 HH TYR 32 HH TYR 32 2.341 -1.366 -4.019 207 H SER 33 H SER 33 5.519 -0.265 -0.200 208 HA SER 33 HA SER 33 5.128 -2.967 0.784 209 HB2 SER 33 HB2 SER 33 4.285 -0.509 2.435 210 HB3 SER 33 HB3 SER 33 3.833 -2.205 2.796 211 HG SER 33 HG SER 33 5.665 -1.501 4.006 212 H GLN 34 H GLN 34 2.972 -3.649 0.417 213 HA GLN 34 HA GLN 34 1.407 -1.714 -1.154 214 HB2 GLN 34 HB2 GLN 34 1.121 -3.181 -2.949 215 HB3 GLN 34 HB3 GLN 34 2.797 -3.571 -2.459 216 HG2 GLN 34 HG2 GLN 34 1.969 -5.601 -1.198 217 HG3 GLN 34 HG3 GLN 34 0.295 -5.238 -1.727 218 HE21 GLN 34 HE21 GLN 34 0.173 -4.804 -4.277 219 HE22 GLN 34 HE22 GLN 34 0.940 -6.102 -5.172 220 H CYS 35 H CYS 35 -0.797 -2.678 -1.635 221 HA CYS 35 HA CYS 35 -1.797 -3.837 0.868 222 HB2 CYS 35 HB2 CYS 35 -3.175 -1.984 -1.169 223 HB3 CYS 35 HB3 CYS 35 -3.928 -2.644 0.332 224 H LEU 36 H LEU 36 -3.641 -5.180 1.006 225 HA LEU 36 HA LEU 36 -4.266 -6.590 -1.489 226 HB2 LEU 36 HB2 LEU 36 -3.908 -8.107 1.127 227 HB3 LEU 36 HB3 LEU 36 -4.025 -8.715 -0.549 228 HG LEU 36 HG LEU 36 -1.825 -9.053 0.260 229 HD11 LEU 36 HD11 LEU 36 -1.097 -6.637 -1.365 230 HD12 LEU 36 HD12 LEU 36 -2.300 -7.709 -2.125 231 HD13 LEU 36 HD13 LEU 36 -0.681 -8.359 -1.635 232 HD21 LEU 36 HD21 LEU 36 -1.079 -6.147 0.753 233 HD22 LEU 36 HD22 LEU 36 -0.533 -7.656 1.540 234 HD23 LEU 36 HD23 LEU 36 -2.146 -6.944 1.949 235 H1 MAN 101 H1 MAN 37 -7.947 2.315 3.301 236 H2 MAN 101 H2 MAN 37 -9.898 2.641 1.705 237 H3 MAN 101 H3 MAN 37 -10.313 4.950 2.854 238 H4 MAN 101 H4 MAN 37 -11.666 3.247 4.932 239 H5 MAN 101 H5 MAN 37 -9.306 5.229 4.999 240 H61 MAN 101 H61 MAN 37 -10.289 3.155 7.048 241 H62 MAN 101 H62 MAN 37 -10.584 4.931 7.128 242 HO2 MAN 101 HO2 MAN 37 -10.453 0.799 2.862 243 HO3 MAN 101 HO3 MAN 37 -12.559 3.294 2.429 244 HO4 MAN 101 HO4 MAN 37 -12.776 5.207 4.447 245 HO6 MAN 101 HO6 MAN 37 -7.922 4.426 6.764 246 H1 MAN 102 H1 MAN 38 -6.427 2.425 -8.259 247 H2 MAN 102 H2 MAN 38 -4.917 0.418 -8.194 248 H3 MAN 102 H3 MAN 38 -3.568 1.289 -6.283 249 H4 MAN 102 H4 MAN 38 -2.277 3.089 -8.384 250 H5 MAN 102 H5 MAN 38 -3.961 3.776 -5.918 251 H61 MAN 102 H61 MAN 38 -3.062 5.545 -8.254 252 H62 MAN 102 H62 MAN 38 -2.294 5.501 -6.628 253 HO2 MAN 102 HO2 MAN 38 -4.964 1.596 -10.162 254 HO3 MAN 102 HO3 MAN 38 -2.453 -0.362 -7.213 255 HO4 MAN 102 HO4 MAN 38 -1.116 2.126 -6.476 256 HO6 MAN 102 HO6 MAN 38 -5.031 6.121 -7.199 Start of MODEL 8 1 H1 THR 1 H1 THR 1 -10.016 6.376 0.993 2 H2 THR 1 H2 THR 1 -10.019 4.715 0.645 3 H3 THR 1 H3 THR 1 -9.857 5.852 -0.622 4 HA THR 1 HA THR 1 -7.796 6.602 0.846 5 HB THR 1 HB THR 1 -7.908 3.546 1.119 6 HG21 THR 1 HG21 THR 1 -5.658 5.416 1.033 7 HG22 THR 1 HG22 THR 1 -5.638 3.652 1.165 8 HG23 THR 1 HG23 THR 1 -5.742 4.660 2.653 9 H GLN 2 H GLN 2 -6.152 4.142 -0.627 10 HA GLN 2 HA GLN 2 -6.410 5.423 -3.216 11 HB2 GLN 2 HB2 GLN 2 -4.287 4.159 -3.644 12 HB3 GLN 2 HB3 GLN 2 -4.227 5.234 -2.240 13 HG2 GLN 2 HG2 GLN 2 -4.574 3.199 -0.648 14 HG3 GLN 2 HG3 GLN 2 -4.501 2.130 -2.080 15 HE21 GLN 2 HE21 GLN 2 -2.530 3.944 0.183 16 HE22 GLN 2 HE22 GLN 2 -1.053 3.597 -0.674 17 H SER 3 H SER 3 -5.258 2.494 -3.903 18 HA SER 3 HA SER 3 -7.866 1.282 -4.520 19 HB2 SER 3 HB2 SER 3 -5.643 0.270 -6.169 20 HB3 SER 3 HB3 SER 3 -7.183 1.107 -6.683 21 H HIS 4 H HIS 4 -7.315 -1.176 -5.195 22 HA HIS 4 HA HIS 4 -6.144 -2.494 -2.848 23 HB2 HIS 4 HB2 HIS 4 -8.416 -3.218 -3.800 24 HB3 HIS 4 HB3 HIS 4 -7.597 -3.598 -5.354 25 HD1 HIS 4 HD1 HIS 4 -8.919 -5.947 -4.521 26 HD2 HIS 4 HD2 HIS 4 -5.499 -4.921 -2.351 27 HE1 HIS 4 HE1 HIS 4 -8.067 -8.066 -3.393 28 HE2 HIS 4 HE2 HIS 4 -6.275 -7.161 -1.852 29 H TYR 5 H TYR 5 -4.130 -3.683 -3.065 30 HA TYR 5 HA TYR 5 -2.273 -4.365 -3.857 31 HB2 TYR 5 HB2 TYR 5 -3.341 -4.202 -6.704 32 HB3 TYR 5 HB3 TYR 5 -1.840 -5.023 -6.159 33 HD1 TYR 5 HD1 TYR 5 -2.016 -6.942 -4.460 34 HD2 TYR 5 HD2 TYR 5 -5.409 -5.326 -6.536 35 HE1 TYR 5 HE1 TYR 5 -3.301 -9.006 -3.968 36 HE2 TYR 5 HE2 TYR 5 -6.666 -7.422 -6.109 37 HH TYR 5 HH TYR 5 -6.319 -9.753 -5.465 38 H GLY 6 H GLY 6 -3.252 -1.402 -3.884 39 HA2 GLY 6 HA2 GLY 6 -1.196 -0.062 -5.399 40 HA3 GLY 6 HA3 GLY 6 -2.343 0.652 -4.197 41 H GLN 7 H GLN 7 0.151 1.646 -4.138 42 HA GLN 7 HA GLN 7 1.706 0.036 -2.230 43 HB2 GLN 7 HB2 GLN 7 2.696 1.097 -4.330 44 HB3 GLN 7 HB3 GLN 7 2.379 2.697 -3.612 45 HG2 GLN 7 HG2 GLN 7 3.899 2.107 -1.654 46 HG3 GLN 7 HG3 GLN 7 4.143 0.472 -2.374 47 HE21 GLN 7 HE21 GLN 7 6.140 2.676 -1.859 48 HE22 GLN 7 HE22 GLN 7 6.925 2.836 -3.409 49 H CYS 8 H CYS 8 1.633 0.642 0.037 50 HA CYS 8 HA CYS 8 0.478 3.358 0.583 51 HB2 CYS 8 HB2 CYS 8 -0.740 2.522 2.445 52 HB3 CYS 8 HB3 CYS 8 -1.117 1.521 1.027 53 H GLY 9 H GLY 9 3.309 1.680 0.799 54 HA2 GLY 9 HA2 GLY 9 4.320 3.471 2.862 55 HA3 GLY 9 HA3 GLY 9 4.084 1.763 3.391 56 H GLY 10 H GLY 10 5.473 3.396 0.503 57 HA2 GLY 10 HA2 GLY 10 7.962 1.827 1.060 58 HA3 GLY 10 HA3 GLY 10 7.348 2.072 -0.603 59 H ILE 11 H ILE 11 9.834 3.045 0.630 60 HA ILE 11 HA ILE 11 9.930 5.700 1.138 61 HB ILE 11 HB ILE 11 11.643 3.790 -0.457 62 HG12 ILE 11 HG12 ILE 11 11.280 3.765 2.180 63 HG13 ILE 11 HG13 ILE 11 12.905 3.530 1.496 64 HG21 ILE 11 HG21 ILE 11 12.268 6.771 0.037 65 HG22 ILE 11 HG22 ILE 11 12.263 5.885 -1.528 66 HG23 ILE 11 HG23 ILE 11 13.538 5.541 -0.316 67 HD11 ILE 11 HD11 ILE 11 13.588 5.819 2.010 68 HD12 ILE 11 HD12 ILE 11 12.832 5.123 3.481 69 HD13 ILE 11 HD13 ILE 11 11.905 6.284 2.459 70 H GLY 12 H GLY 12 9.311 4.301 -2.042 71 HA2 GLY 12 HA2 GLY 12 9.195 6.966 -3.304 72 HA3 GLY 12 HA3 GLY 12 9.055 5.364 -4.096 73 H TYR 13 H TYR 13 7.089 6.197 -1.237 74 HA TYR 13 HA TYR 13 4.816 6.687 -3.049 75 HB2 TYR 13 HB2 TYR 13 4.745 4.320 -2.227 76 HB3 TYR 13 HB3 TYR 13 4.718 4.910 -0.522 77 HD1 TYR 13 HD1 TYR 13 3.047 5.107 -3.867 78 HD2 TYR 13 HD2 TYR 13 2.579 5.503 0.394 79 HE1 TYR 13 HE1 TYR 13 0.602 5.439 -4.167 80 HE2 TYR 13 HE2 TYR 13 0.148 5.815 0.051 81 HH TYR 13 HH TYR 13 -1.384 4.934 -2.633 82 H SER 14 H SER 14 4.030 8.629 -2.688 83 HA SER 14 HA SER 14 4.124 9.775 0.038 84 HB2 SER 14 HB2 SER 14 3.917 11.180 -2.699 85 HB3 SER 14 HB3 SER 14 3.983 12.018 -1.100 86 HG SER 14 HG SER 14 6.074 11.544 -0.937 87 H GLY 15 H GLY 15 2.018 7.990 -0.503 88 HA2 GLY 15 HA2 GLY 15 -0.308 9.834 -0.790 89 HA3 GLY 15 HA3 GLY 15 -0.230 8.146 -1.366 90 HA PRO 16 HA PRO 16 -2.199 8.112 2.797 91 HB2 PRO 16 HB2 PRO 16 -3.760 5.778 1.936 92 HB3 PRO 16 HB3 PRO 16 -4.357 7.465 2.192 93 HG2 PRO 16 HG2 PRO 16 -3.390 6.059 -0.341 94 HG3 PRO 16 HG3 PRO 16 -4.719 7.286 -0.197 95 HD2 PRO 16 HD2 PRO 16 -2.286 7.900 -1.225 96 HD3 PRO 16 HD3 PRO 16 -3.091 9.094 -0.113 97 H THR 17 H THR 17 -2.588 6.221 4.411 98 HA THR 17 HA THR 17 -0.336 4.292 4.161 99 HB THR 17 HB THR 17 -0.316 4.526 6.771 100 HG1 THR 17 HG1 THR 17 -1.473 6.979 5.963 101 HG21 THR 17 HG21 THR 17 1.577 5.377 5.681 102 HG22 THR 17 HG22 THR 17 0.908 6.899 6.372 103 HG23 THR 17 HG23 THR 17 0.665 6.498 4.632 104 H VAL 18 H VAL 18 -3.384 4.332 3.733 105 HA VAL 18 HA VAL 18 -3.907 1.800 5.130 106 HB VAL 18 HB VAL 18 -6.220 3.713 4.514 107 HG11 VAL 18 HG11 VAL 18 -6.988 2.306 6.717 108 HG12 VAL 18 HG12 VAL 18 -5.752 1.146 6.119 109 HG13 VAL 18 HG13 VAL 18 -7.155 1.611 5.094 110 HG21 VAL 18 HG21 VAL 18 -4.247 4.365 6.596 111 HG22 VAL 18 HG22 VAL 18 -5.821 3.941 7.301 112 HG23 VAL 18 HG23 VAL 18 -5.736 5.214 6.048 113 H CYS 19 H CYS 19 -6.255 1.239 3.596 114 HA CYS 19 HA CYS 19 -5.311 1.523 0.798 115 HB2 CYS 19 HB2 CYS 19 -6.126 -0.998 2.264 116 HB3 CYS 19 HB3 CYS 19 -5.458 -0.841 0.594 117 H ALA 20 H ALA 20 -7.092 1.147 -0.803 118 HA ALA 20 HA ALA 20 -9.529 2.235 -0.319 119 HB1 ALA 20 HB1 ALA 20 -8.237 1.128 -2.416 120 HB2 ALA 20 HB2 ALA 20 -9.941 1.682 -2.504 121 HB3 ALA 20 HB3 ALA 20 -9.537 -0.064 -2.266 122 H SER 21 H SER 21 -11.347 1.767 0.991 123 HA SER 21 HA SER 21 -12.831 0.611 2.104 124 HB2 SER 21 HB2 SER 21 -12.665 -1.606 -0.003 125 HB3 SER 21 HB3 SER 21 -14.103 -1.069 0.969 126 HG SER 21 HG SER 21 -13.257 -0.236 -1.405 127 H GLY 22 H GLY 22 -12.750 -2.644 1.756 128 HA2 GLY 22 HA2 GLY 22 -11.334 -3.039 4.262 129 HA3 GLY 22 HA3 GLY 22 -12.231 -4.234 3.266 130 H THR 23 H THR 23 -9.436 -2.212 2.429 131 HA THR 23 HA THR 23 -7.968 -4.719 1.769 132 HB THR 23 HB THR 23 -6.380 -3.315 0.433 133 HG1 THR 23 HG1 THR 23 -8.549 -1.545 0.803 134 HG21 THR 23 HG21 THR 23 -8.811 -4.458 -0.429 135 HG22 THR 23 HG22 THR 23 -7.518 -3.749 -1.458 136 HG23 THR 23 HG23 THR 23 -8.964 -2.779 -1.057 137 H THR 24 H THR 24 -5.945 -5.087 2.689 138 HA THR 24 HA THR 24 -5.270 -3.418 5.063 139 HB THR 24 HB THR 24 -5.638 -5.706 5.698 140 HG1 THR 24 HG1 THR 24 -3.583 -4.863 6.506 141 HG21 THR 24 HG21 THR 24 -3.864 -7.382 4.309 142 HG22 THR 24 HG22 THR 24 -4.325 -6.222 3.035 143 HG23 THR 24 HG23 THR 24 -5.595 -7.133 3.909 144 H CYS 25 H CYS 25 -2.908 -2.970 5.590 145 HA CYS 25 HA CYS 25 -1.285 -2.540 3.164 146 HB2 CYS 25 HB2 CYS 25 -1.474 -1.337 5.960 147 HB3 CYS 25 HB3 CYS 25 0.148 -1.336 5.221 148 H GLN 26 H GLN 26 0.140 -4.252 2.735 149 HA GLN 26 HA GLN 26 1.559 -5.365 5.087 150 HB2 GLN 26 HB2 GLN 26 0.911 -6.901 2.551 151 HB3 GLN 26 HB3 GLN 26 1.826 -7.521 3.942 152 HG2 GLN 26 HG2 GLN 26 -0.149 -7.306 5.458 153 HG3 GLN 26 HG3 GLN 26 -1.154 -6.676 4.120 154 HE21 GLN 26 HE21 GLN 26 -2.465 -8.274 3.259 155 HE22 GLN 26 HE22 GLN 26 -2.058 -9.971 3.198 156 H VAL 27 H VAL 27 3.760 -6.007 4.741 157 HA VAL 27 HA VAL 27 5.048 -4.220 2.794 158 HB VAL 27 HB VAL 27 6.013 -5.317 5.457 159 HG11 VAL 27 HG11 VAL 27 8.009 -5.242 4.149 160 HG12 VAL 27 HG12 VAL 27 7.968 -3.607 4.894 161 HG13 VAL 27 HG13 VAL 27 7.472 -3.816 3.184 162 HG21 VAL 27 HG21 VAL 27 6.094 -2.439 5.275 163 HG22 VAL 27 HG22 VAL 27 4.984 -3.437 6.278 164 HG23 VAL 27 HG23 VAL 27 4.498 -2.917 4.635 165 H LEU 28 H LEU 28 6.489 -4.894 1.378 166 HA LEU 28 HA LEU 28 6.924 -7.796 1.083 167 HB2 LEU 28 HB2 LEU 28 7.338 -5.705 -1.148 168 HB3 LEU 28 HB3 LEU 28 7.104 -7.464 -1.269 169 HG LEU 28 HG LEU 28 5.220 -6.304 -2.174 170 HD11 LEU 28 HD11 LEU 28 4.782 -8.407 -0.770 171 HD12 LEU 28 HD12 LEU 28 3.358 -7.321 -1.011 172 HD13 LEU 28 HD13 LEU 28 4.235 -7.326 0.563 173 HD21 LEU 28 HD21 LEU 28 4.013 -4.536 -1.271 174 HD22 LEU 28 HD22 LEU 28 5.609 -4.227 -0.507 175 HD23 LEU 28 HD23 LEU 28 4.297 -5.034 0.422 176 H ASN 29 H ASN 29 8.405 -4.572 0.449 177 HA ASN 29 HA ASN 29 11.024 -5.733 1.133 178 HB2 ASN 29 HB2 ASN 29 10.847 -3.502 -0.966 179 HB3 ASN 29 HB3 ASN 29 12.105 -4.771 -0.725 180 HD21 ASN 29 HD21 ASN 29 10.056 -3.821 -3.034 181 HD22 ASN 29 HD22 ASN 29 9.496 -5.372 -3.608 182 HA PRO 30 HA PRO 30 11.079 -2.207 3.817 183 HB2 PRO 30 HB2 PRO 30 13.948 -1.538 2.938 184 HB3 PRO 30 HB3 PRO 30 13.331 -1.830 4.606 185 HG2 PRO 30 HG2 PRO 30 14.805 -3.730 3.211 186 HG3 PRO 30 HG3 PRO 30 13.475 -4.194 4.349 187 HD2 PRO 30 HD2 PRO 30 13.435 -4.157 1.304 188 HD3 PRO 30 HD3 PRO 30 12.582 -5.249 2.491 189 H TYR 31 H TYR 31 11.881 -1.752 0.544 190 HA TYR 31 HA TYR 31 11.403 1.156 0.623 191 HB2 TYR 31 HB2 TYR 31 12.741 -0.715 -1.434 192 HB3 TYR 31 HB3 TYR 31 12.339 1.000 -1.808 193 HD1 TYR 31 HD2 TYR 31 14.421 -1.207 0.427 194 HD2 TYR 31 HD1 TYR 31 13.583 2.795 -0.895 195 HE1 TYR 31 HE2 TYR 31 16.412 -0.374 1.650 196 HE2 TYR 31 HE1 TYR 31 15.549 3.620 0.344 197 HH TYR 31 HH TYR 31 17.189 3.090 1.813 198 H TYR 32 H TYR 32 9.405 -1.465 0.469 199 HA TYR 32 HA TYR 32 7.509 -0.044 -1.183 200 HB2 TYR 32 HB2 TYR 32 8.796 -1.283 -2.943 201 HB3 TYR 32 HB3 TYR 32 8.539 -2.805 -2.010 202 HD1 TYR 32 HD2 TYR 32 6.719 -0.075 -3.839 203 HD2 TYR 32 HD1 TYR 32 6.654 -4.127 -2.474 204 HE1 TYR 32 HE2 TYR 32 4.498 -0.414 -4.925 205 HE2 TYR 32 HE1 TYR 32 4.446 -4.463 -3.554 206 HH TYR 32 HH TYR 32 2.463 -1.920 -4.512 207 H SER 33 H SER 33 5.408 -0.332 -0.399 208 HA SER 33 HA SER 33 4.783 -2.877 0.915 209 HB2 SER 33 HB2 SER 33 4.092 -0.230 2.261 210 HB3 SER 33 HB3 SER 33 3.632 -1.869 2.810 211 HG SER 33 HG SER 33 6.260 -1.907 2.446 212 H GLN 34 H GLN 34 2.595 -3.472 0.578 213 HA GLN 34 HA GLN 34 1.115 -1.605 -1.113 214 HB2 GLN 34 HB2 GLN 34 0.964 -2.991 -2.955 215 HB3 GLN 34 HB3 GLN 34 2.548 -3.550 -2.358 216 HG2 GLN 34 HG2 GLN 34 1.344 -5.504 -1.173 217 HG3 GLN 34 HG3 GLN 34 -0.192 -4.945 -1.923 218 HE21 GLN 34 HE21 GLN 34 0.037 -4.552 -4.455 219 HE22 GLN 34 HE22 GLN 34 0.709 -5.963 -5.228 220 H CYS 35 H CYS 35 -1.101 -2.440 -1.542 221 HA CYS 35 HA CYS 35 -2.095 -3.510 0.976 222 HB2 CYS 35 HB2 CYS 35 -3.465 -1.808 -1.186 223 HB3 CYS 35 HB3 CYS 35 -4.246 -2.402 0.325 224 H LEU 36 H LEU 36 -3.862 -4.900 1.241 225 HA LEU 36 HA LEU 36 -4.599 -6.417 -1.161 226 HB2 LEU 36 HB2 LEU 36 -4.124 -7.867 1.451 227 HB3 LEU 36 HB3 LEU 36 -4.317 -8.505 -0.203 228 HG LEU 36 HG LEU 36 -2.064 -8.788 0.512 229 HD11 LEU 36 HD11 LEU 36 -2.687 -7.418 -1.895 230 HD12 LEU 36 HD12 LEU 36 -1.136 -8.268 -1.513 231 HD13 LEU 36 HD13 LEU 36 -1.306 -6.511 -1.216 232 HD21 LEU 36 HD21 LEU 36 -2.318 -6.574 2.101 233 HD22 LEU 36 HD22 LEU 36 -1.297 -5.869 0.815 234 HD23 LEU 36 HD23 LEU 36 -0.755 -7.353 1.648 235 H1 MAN 101 H1 MAN 37 -7.898 2.794 3.358 236 H2 MAN 101 H2 MAN 37 -9.812 2.974 1.787 237 H3 MAN 101 H3 MAN 37 -10.371 5.346 2.693 238 H4 MAN 101 H4 MAN 37 -11.662 3.742 4.905 239 H5 MAN 101 H5 MAN 37 -9.335 5.762 4.961 240 H61 MAN 101 H61 MAN 37 -10.359 3.695 6.991 241 H62 MAN 101 H62 MAN 37 -10.581 5.476 7.102 242 HO2 MAN 101 HO2 MAN 37 -11.454 1.989 3.269 243 HO3 MAN 101 HO3 MAN 37 -12.383 5.009 1.783 244 HO4 MAN 101 HO4 MAN 37 -11.438 6.578 4.762 245 HO6 MAN 101 HO6 MAN 37 -8.101 5.489 7.088 246 H1 MAN 102 H1 MAN 38 -6.131 2.533 -8.304 247 H2 MAN 102 H2 MAN 38 -4.935 0.348 -8.069 248 H3 MAN 102 H3 MAN 38 -3.417 1.132 -6.259 249 H4 MAN 102 H4 MAN 38 -2.029 2.634 -8.526 250 H5 MAN 102 H5 MAN 38 -3.467 3.661 -6.014 251 H61 MAN 102 H61 MAN 38 -2.343 5.123 -8.472 252 H62 MAN 102 H62 MAN 38 -1.639 5.144 -6.813 253 HO2 MAN 102 HO2 MAN 38 -4.069 0.506 -9.979 254 HO3 MAN 102 HO3 MAN 38 -2.065 0.081 -8.546 255 HO4 MAN 102 HO4 MAN 38 -0.392 2.731 -7.201 256 HO6 MAN 102 HO6 MAN 38 -4.248 6.058 -7.562 Start of MODEL 9 1 H1 THR 1 H1 THR 1 -7.224 6.256 3.321 2 H2 THR 1 H2 THR 1 -8.743 5.593 2.899 3 H3 THR 1 H3 THR 1 -7.904 6.550 1.769 4 HA THR 1 HA THR 1 -6.255 4.478 2.477 5 HB THR 1 HB THR 1 -7.960 2.538 1.688 6 HG21 THR 1 HG21 THR 1 -8.923 2.191 3.922 7 HG22 THR 1 HG22 THR 1 -8.392 3.826 4.465 8 HG23 THR 1 HG23 THR 1 -7.194 2.577 3.977 9 H GLN 2 H GLN 2 -6.139 2.814 0.264 10 HA GLN 2 HA GLN 2 -6.794 4.465 -2.119 11 HB2 GLN 2 HB2 GLN 2 -4.817 3.004 -3.185 12 HB3 GLN 2 HB3 GLN 2 -4.479 4.436 -2.300 13 HG2 GLN 2 HG2 GLN 2 -4.656 1.765 -0.698 14 HG3 GLN 2 HG3 GLN 2 -3.263 1.977 -1.798 15 HE21 GLN 2 HE21 GLN 2 -4.075 5.040 -0.790 16 HE22 GLN 2 HE22 GLN 2 -2.868 5.136 0.457 17 H SER 3 H SER 3 -5.557 1.157 -2.427 18 HA SER 3 HA SER 3 -8.194 0.214 -3.213 19 HB2 SER 3 HB2 SER 3 -6.209 0.097 -5.485 20 HB3 SER 3 HB3 SER 3 -8.015 0.332 -5.549 21 H HIS 4 H HIS 4 -7.568 -1.884 -4.684 22 HA HIS 4 HA HIS 4 -5.925 -3.439 -2.859 23 HB2 HIS 4 HB2 HIS 4 -8.138 -4.181 -4.048 24 HB3 HIS 4 HB3 HIS 4 -7.153 -4.373 -5.539 25 HD1 HIS 4 HD1 HIS 4 -8.517 -6.807 -4.343 26 HD2 HIS 4 HD2 HIS 4 -4.772 -5.595 -2.892 27 HE1 HIS 4 HE1 HIS 4 -7.466 -8.810 -3.225 28 HE2 HIS 4 HE2 HIS 4 -5.504 -7.792 -2.002 29 H TYR 5 H TYR 5 -3.831 -3.856 -3.153 30 HA TYR 5 HA TYR 5 -1.923 -4.234 -3.925 31 HB2 TYR 5 HB2 TYR 5 -2.903 -4.010 -6.815 32 HB3 TYR 5 HB3 TYR 5 -1.412 -4.825 -6.236 33 HD1 TYR 5 HD1 TYR 5 -1.712 -6.830 -4.558 34 HD2 TYR 5 HD2 TYR 5 -4.899 -5.192 -6.929 35 HE1 TYR 5 HE1 TYR 5 -2.962 -8.949 -4.337 36 HE2 TYR 5 HE2 TYR 5 -6.167 -7.313 -6.683 37 HH TYR 5 HH TYR 5 -4.827 -10.107 -4.942 38 H GLY 6 H GLY 6 -3.260 -1.470 -3.786 39 HA2 GLY 6 HA2 GLY 6 -1.435 0.231 -5.233 40 HA3 GLY 6 HA3 GLY 6 -2.604 0.703 -3.928 41 H GLN 7 H GLN 7 -0.221 1.998 -3.893 42 HA GLN 7 HA GLN 7 1.558 0.428 -2.197 43 HB2 GLN 7 HB2 GLN 7 2.394 1.803 -4.049 44 HB3 GLN 7 HB3 GLN 7 1.723 3.277 -3.292 45 HG2 GLN 7 HG2 GLN 7 3.266 3.034 -1.339 46 HG3 GLN 7 HG3 GLN 7 3.785 1.410 -1.917 47 HE21 GLN 7 HE21 GLN 7 5.968 2.244 -1.974 48 HE22 GLN 7 HE22 GLN 7 6.472 3.318 -3.284 49 H CYS 8 H CYS 8 1.861 0.817 0.005 50 HA CYS 8 HA CYS 8 0.327 3.076 1.205 51 HB2 CYS 8 HB2 CYS 8 -0.387 1.672 3.048 52 HB3 CYS 8 HB3 CYS 8 -0.889 0.987 1.485 53 H GLY 9 H GLY 9 3.377 1.545 0.930 54 HA2 GLY 9 HA2 GLY 9 4.521 3.306 2.927 55 HA3 GLY 9 HA3 GLY 9 4.415 1.578 3.433 56 H GLY 10 H GLY 10 5.603 3.579 0.664 57 HA2 GLY 10 HA2 GLY 10 8.069 1.912 0.812 58 HA3 GLY 10 HA3 GLY 10 7.335 2.372 -0.762 59 H ILE 11 H ILE 11 9.930 3.149 0.274 60 HA ILE 11 HA ILE 11 10.114 5.723 1.150 61 HB ILE 11 HB ILE 11 11.637 3.991 -0.796 62 HG12 ILE 11 HG12 ILE 11 11.548 3.803 1.866 63 HG13 ILE 11 HG13 ILE 11 13.082 3.579 0.996 64 HG21 ILE 11 HG21 ILE 11 13.534 5.713 -0.785 65 HG22 ILE 11 HG22 ILE 11 12.359 6.922 -0.146 66 HG23 ILE 11 HG23 ILE 11 12.112 6.185 -1.767 67 HD11 ILE 11 HD11 ILE 11 13.887 5.800 1.566 68 HD12 ILE 11 HD12 ILE 11 13.249 5.061 3.071 69 HD13 ILE 11 HD13 ILE 11 12.273 6.301 2.195 70 H GLY 12 H GLY 12 9.222 4.732 -2.122 71 HA2 GLY 12 HA2 GLY 12 8.788 7.566 -2.903 72 HA3 GLY 12 HA3 GLY 12 8.770 6.112 -3.968 73 H TYR 13 H TYR 13 7.010 7.311 -1.017 74 HA TYR 13 HA TYR 13 4.561 6.842 -2.537 75 HB2 TYR 13 HB2 TYR 13 5.023 4.768 -1.088 76 HB3 TYR 13 HB3 TYR 13 5.038 5.840 0.358 77 HD1 TYR 13 HD1 TYR 13 2.929 5.544 -2.753 78 HD2 TYR 13 HD2 TYR 13 3.006 5.607 1.560 79 HE1 TYR 13 HE1 TYR 13 0.472 5.521 -2.710 80 HE2 TYR 13 HE2 TYR 13 0.523 5.561 1.580 81 HH TYR 13 HH TYR 13 -1.104 4.485 -0.492 82 H SER 14 H SER 14 3.210 8.542 -2.433 83 HA SER 14 HA SER 14 3.347 10.275 -0.036 84 HB2 SER 14 HB2 SER 14 3.111 11.525 -2.834 85 HB3 SER 14 HB3 SER 14 3.614 12.262 -1.262 86 HG SER 14 HG SER 14 5.415 11.929 -2.583 87 H GLY 15 H GLY 15 1.362 8.477 -0.083 88 HA2 GLY 15 HA2 GLY 15 -0.991 10.100 -0.733 89 HA3 GLY 15 HA3 GLY 15 -0.835 8.424 -1.410 90 HA PRO 16 HA PRO 16 -3.077 8.478 2.706 91 HB2 PRO 16 HB2 PRO 16 -4.684 6.248 1.545 92 HB3 PRO 16 HB3 PRO 16 -5.241 7.861 2.124 93 HG2 PRO 16 HG2 PRO 16 -4.534 6.944 -0.673 94 HG3 PRO 16 HG3 PRO 16 -5.582 8.316 -0.190 95 HD2 PRO 16 HD2 PRO 16 -3.049 8.603 -1.261 96 HD3 PRO 16 HD3 PRO 16 -3.686 9.780 -0.024 97 H THR 17 H THR 17 -2.211 7.391 4.477 98 HA THR 17 HA THR 17 -0.539 5.161 3.880 99 HB THR 17 HB THR 17 -1.130 6.295 6.648 100 HG1 THR 17 HG1 THR 17 0.684 7.644 6.037 101 HG21 THR 17 HG21 THR 17 0.374 4.389 6.786 102 HG22 THR 17 HG22 THR 17 1.489 5.786 6.709 103 HG23 THR 17 HG23 THR 17 1.188 4.790 5.236 104 H VAL 18 H VAL 18 -3.210 4.367 3.426 105 HA VAL 18 HA VAL 18 -3.572 2.273 5.431 106 HB VAL 18 HB VAL 18 -5.949 4.098 4.803 107 HG11 VAL 18 HG11 VAL 18 -5.575 2.181 7.213 108 HG12 VAL 18 HG12 VAL 18 -6.182 1.529 5.656 109 HG13 VAL 18 HG13 VAL 18 -7.108 2.795 6.512 110 HG21 VAL 18 HG21 VAL 18 -4.346 5.472 6.151 111 HG22 VAL 18 HG22 VAL 18 -4.306 4.167 7.390 112 HG23 VAL 18 HG23 VAL 18 -5.838 5.053 7.060 113 H CYS 19 H CYS 19 -4.610 0.484 4.449 114 HA CYS 19 HA CYS 19 -4.765 0.716 1.540 115 HB2 CYS 19 HB2 CYS 19 -4.547 -1.510 3.611 116 HB3 CYS 19 HB3 CYS 19 -4.886 -1.915 1.914 117 H ALA 20 H ALA 20 -6.551 -0.287 0.356 118 HA ALA 20 HA ALA 20 -8.924 0.846 0.580 119 HB1 ALA 20 HB1 ALA 20 -8.948 -2.055 -0.244 120 HB2 ALA 20 HB2 ALA 20 -8.025 -0.865 -1.191 121 HB3 ALA 20 HB3 ALA 20 -9.806 -0.663 -0.980 122 H SER 21 H SER 21 -11.182 0.220 1.274 123 HA SER 21 HA SER 21 -11.113 -0.547 3.976 124 HB2 SER 21 HB2 SER 21 -12.776 1.022 2.924 125 HB3 SER 21 HB3 SER 21 -13.559 -0.384 2.122 126 HG SER 21 HG SER 21 -13.726 -1.249 4.363 127 H GLY 22 H GLY 22 -10.661 -2.579 1.555 128 HA2 GLY 22 HA2 GLY 22 -11.452 -4.957 3.067 129 HA3 GLY 22 HA3 GLY 22 -11.697 -4.865 1.283 130 H THR 23 H THR 23 -8.817 -3.222 2.327 131 HA THR 23 HA THR 23 -7.225 -5.613 1.640 132 HB THR 23 HB THR 23 -5.653 -4.365 0.262 133 HG1 THR 23 HG1 THR 23 -6.949 -2.330 1.265 134 HG21 THR 23 HG21 THR 23 -7.739 -3.443 -1.468 135 HG22 THR 23 HG22 THR 23 -8.427 -4.868 -0.593 136 HG23 THR 23 HG23 THR 23 -6.883 -5.018 -1.474 137 H THR 24 H THR 24 -5.089 -5.584 2.476 138 HA THR 24 HA THR 24 -4.829 -3.920 4.920 139 HB THR 24 HB THR 24 -3.072 -6.328 4.820 140 HG1 THR 24 HG1 THR 24 -5.364 -6.805 3.743 141 HG21 THR 24 HG21 THR 24 -5.367 -5.360 6.647 142 HG22 THR 24 HG22 THR 24 -3.612 -4.980 6.893 143 HG23 THR 24 HG23 THR 24 -4.208 -6.680 7.020 144 H CYS 25 H CYS 25 -2.783 -2.933 5.522 145 HA CYS 25 HA CYS 25 -0.962 -2.565 3.250 146 HB2 CYS 25 HB2 CYS 25 -1.659 -0.530 4.568 147 HB3 CYS 25 HB3 CYS 25 -0.981 -1.265 6.040 148 H GLN 26 H GLN 26 0.367 -4.259 2.929 149 HA GLN 26 HA GLN 26 1.893 -5.149 5.313 150 HB2 GLN 26 HB2 GLN 26 1.282 -6.923 2.913 151 HB3 GLN 26 HB3 GLN 26 2.055 -7.376 4.457 152 HG2 GLN 26 HG2 GLN 26 -0.105 -6.936 5.686 153 HG3 GLN 26 HG3 GLN 26 -0.884 -6.423 4.142 154 HE21 GLN 26 HE21 GLN 26 -2.501 -8.137 4.396 155 HE22 GLN 26 HE22 GLN 26 -2.043 -9.779 4.056 156 H VAL 27 H VAL 27 4.029 -5.138 5.184 157 HA VAL 27 HA VAL 27 5.198 -3.684 3.113 158 HB VAL 27 HB VAL 27 6.504 -5.219 5.370 159 HG11 VAL 27 HG11 VAL 27 7.656 -3.218 3.306 160 HG12 VAL 27 HG12 VAL 27 8.255 -4.860 3.739 161 HG13 VAL 27 HG13 VAL 27 8.426 -3.501 4.902 162 HG21 VAL 27 HG21 VAL 27 6.623 -2.315 5.666 163 HG22 VAL 27 HG22 VAL 27 5.808 -3.517 6.720 164 HG23 VAL 27 HG23 VAL 27 4.909 -2.748 5.365 165 H LEU 28 H LEU 28 6.585 -4.073 1.460 166 HA LEU 28 HA LEU 28 6.590 -6.900 0.594 167 HB2 LEU 28 HB2 LEU 28 5.831 -4.451 -0.760 168 HB3 LEU 28 HB3 LEU 28 7.335 -4.960 -1.542 169 HG LEU 28 HG LEU 28 5.982 -7.379 -1.345 170 HD11 LEU 28 HD11 LEU 28 3.904 -5.316 -2.271 171 HD12 LEU 28 HD12 LEU 28 3.984 -5.849 -0.550 172 HD13 LEU 28 HD13 LEU 28 3.671 -7.053 -1.851 173 HD21 LEU 28 HD21 LEU 28 5.701 -5.508 -3.772 174 HD22 LEU 28 HD22 LEU 28 5.800 -7.298 -3.722 175 HD23 LEU 28 HD23 LEU 28 7.253 -6.318 -3.325 176 H ASN 29 H ASN 29 8.555 -4.058 -0.099 177 HA ASN 29 HA ASN 29 10.992 -5.663 0.392 178 HB2 ASN 29 HB2 ASN 29 10.596 -3.398 -1.701 179 HB3 ASN 29 HB3 ASN 29 12.114 -4.336 -1.433 180 HD21 ASN 29 HD21 ASN 29 9.390 -4.218 -3.440 181 HD22 ASN 29 HD22 ASN 29 9.427 -5.899 -3.923 182 HA PRO 30 HA PRO 30 11.796 -2.385 3.217 183 HB2 PRO 30 HB2 PRO 30 14.618 -1.935 2.080 184 HB3 PRO 30 HB3 PRO 30 14.151 -2.343 3.771 185 HG2 PRO 30 HG2 PRO 30 15.256 -4.220 2.056 186 HG3 PRO 30 HG3 PRO 30 13.969 -4.674 3.247 187 HD2 PRO 30 HD2 PRO 30 13.694 -4.182 0.247 188 HD3 PRO 30 HD3 PRO 30 12.870 -5.400 1.324 189 H TYR 31 H TYR 31 11.592 -1.712 0.081 190 HA TYR 31 HA TYR 31 11.594 1.214 0.389 191 HB2 TYR 31 HB2 TYR 31 12.776 -0.520 -1.875 192 HB3 TYR 31 HB3 TYR 31 12.261 1.176 -2.195 193 HD1 TYR 31 HD2 TYR 31 14.560 -0.906 -0.030 194 HD2 TYR 31 HD1 TYR 31 13.585 2.990 -1.554 195 HE1 TYR 31 HE2 TYR 31 16.560 0.029 1.079 196 HE2 TYR 31 HE1 TYR 31 15.610 3.914 -0.471 197 HH TYR 31 HH TYR 31 17.563 1.996 1.749 198 H TYR 32 H TYR 32 9.519 -1.366 0.175 199 HA TYR 32 HA TYR 32 7.551 0.211 -1.192 200 HB2 TYR 32 HB2 TYR 32 8.720 -0.817 -3.186 201 HB3 TYR 32 HB3 TYR 32 8.462 -2.449 -2.467 202 HD1 TYR 32 HD2 TYR 32 6.660 0.621 -3.603 203 HD2 TYR 32 HD1 TYR 32 6.455 -3.603 -3.019 204 HE1 TYR 32 HE2 TYR 32 4.341 0.608 -4.523 205 HE2 TYR 32 HE1 TYR 32 4.184 -3.646 -4.012 206 HH TYR 32 HH TYR 32 2.786 -2.051 -5.608 207 H SER 33 H SER 33 5.451 -0.279 -0.475 208 HA SER 33 HA SER 33 4.936 -2.927 0.629 209 HB2 SER 33 HB2 SER 33 4.215 -0.367 2.188 210 HB3 SER 33 HB3 SER 33 3.760 -2.041 2.637 211 HG SER 33 HG SER 33 5.612 -1.371 3.779 212 H GLN 34 H GLN 34 2.726 -3.500 0.348 213 HA GLN 34 HA GLN 34 1.238 -1.491 -1.201 214 HB2 GLN 34 HB2 GLN 34 0.805 -2.912 -2.978 215 HB3 GLN 34 HB3 GLN 34 2.497 -3.306 -2.591 216 HG2 GLN 34 HG2 GLN 34 1.703 -5.363 -1.287 217 HG3 GLN 34 HG3 GLN 34 0.023 -4.985 -1.730 218 HE21 GLN 34 HE21 GLN 34 0.285 -4.215 -4.442 219 HE22 GLN 34 HE22 GLN 34 0.694 -5.698 -5.287 220 H CYS 35 H CYS 35 -0.988 -2.354 -1.642 221 HA CYS 35 HA CYS 35 -2.223 -3.160 0.879 222 HB2 CYS 35 HB2 CYS 35 -3.233 -1.847 -1.715 223 HB3 CYS 35 HB3 CYS 35 -4.313 -2.216 -0.337 224 H LEU 36 H LEU 36 -3.102 -5.144 1.242 225 HA LEU 36 HA LEU 36 -3.785 -6.760 -1.141 226 HB2 LEU 36 HB2 LEU 36 -2.896 -7.720 1.625 227 HB3 LEU 36 HB3 LEU 36 -3.208 -8.717 0.169 228 HG LEU 36 HG LEU 36 -0.872 -8.601 0.455 229 HD11 LEU 36 HD11 LEU 36 -0.093 -7.667 -1.671 230 HD12 LEU 36 HD12 LEU 36 -1.472 -6.514 -1.745 231 HD13 LEU 36 HD13 LEU 36 -1.777 -8.270 -1.924 232 HD21 LEU 36 HD21 LEU 36 -1.039 -6.382 1.889 233 HD22 LEU 36 HD22 LEU 36 -0.685 -5.556 0.347 234 HD23 LEU 36 HD23 LEU 36 0.481 -6.748 0.980 235 H1 MAN 101 H1 MAN 37 -10.192 1.984 1.705 236 H2 MAN 101 H2 MAN 37 -8.824 2.806 -0.213 237 H3 MAN 101 H3 MAN 37 -9.542 5.172 0.129 238 H4 MAN 101 H4 MAN 37 -12.086 4.275 -1.234 239 H5 MAN 101 H5 MAN 37 -11.488 5.327 1.601 240 H61 MAN 101 H61 MAN 37 -14.025 4.130 0.381 241 H62 MAN 101 H62 MAN 37 -13.727 5.888 0.677 242 HO2 MAN 101 HO2 MAN 37 -10.055 2.149 -1.858 243 HO3 MAN 101 HO3 MAN 37 -8.980 5.651 -1.812 244 HO4 MAN 101 HO4 MAN 37 -11.943 6.360 -1.751 245 HO6 MAN 101 HO6 MAN 37 -14.876 4.622 2.422 246 H1 MAN 102 H1 MAN 38 -7.495 2.118 -7.259 247 H2 MAN 102 H2 MAN 38 -5.430 0.720 -7.184 248 H3 MAN 102 H3 MAN 38 -4.512 1.886 -5.165 249 H4 MAN 102 H4 MAN 38 -3.831 4.078 -7.182 250 H5 MAN 102 H5 MAN 38 -5.720 4.111 -4.762 251 H61 MAN 102 H61 MAN 38 -5.360 6.166 -7.001 252 H62 MAN 102 H62 MAN 38 -4.645 6.314 -5.357 253 HO2 MAN 102 HO2 MAN 38 -4.610 1.518 -8.971 254 HO3 MAN 102 HO3 MAN 38 -2.804 1.708 -7.432 255 HO4 MAN 102 HO4 MAN 38 -3.399 4.244 -4.361 256 HO6 MAN 102 HO6 MAN 38 -7.430 5.990 -5.935 Start of MODEL 10 1 H1 THR 1 H1 THR 1 -7.984 6.346 3.284 2 H2 THR 1 H2 THR 1 -9.368 5.470 2.781 3 H3 THR 1 H3 THR 1 -8.389 6.237 1.616 4 HA THR 1 HA THR 1 -6.792 4.424 3.003 5 HB THR 1 HB THR 1 -8.373 2.352 2.066 6 HG21 THR 1 HG21 THR 1 -8.768 3.636 4.849 7 HG22 THR 1 HG22 THR 1 -7.548 2.416 4.337 8 HG23 THR 1 HG23 THR 1 -9.265 1.981 4.320 9 H GLN 2 H GLN 2 -6.050 2.668 1.293 10 HA GLN 2 HA GLN 2 -5.640 3.948 -1.256 11 HB2 GLN 2 HB2 GLN 2 -3.939 2.607 0.412 12 HB3 GLN 2 HB3 GLN 2 -4.715 1.172 -0.274 13 HG2 GLN 2 HG2 GLN 2 -2.579 1.575 -1.432 14 HG3 GLN 2 HG3 GLN 2 -3.875 1.860 -2.617 15 HE21 GLN 2 HE21 GLN 2 -3.430 4.258 -0.148 16 HE22 GLN 2 HE22 GLN 2 -2.522 5.362 -1.068 17 H SER 3 H SER 3 -5.696 2.416 -3.230 18 HA SER 3 HA SER 3 -8.035 0.739 -3.265 19 HB2 SER 3 HB2 SER 3 -6.066 0.564 -5.521 20 HB3 SER 3 HB3 SER 3 -7.852 0.973 -5.556 21 H HIS 4 H HIS 4 -7.553 -1.438 -4.684 22 HA HIS 4 HA HIS 4 -5.860 -3.077 -2.989 23 HB2 HIS 4 HB2 HIS 4 -8.109 -3.842 -4.023 24 HB3 HIS 4 HB3 HIS 4 -7.269 -3.889 -5.613 25 HD1 HIS 4 HD1 HIS 4 -8.297 -6.513 -4.945 26 HD2 HIS 4 HD2 HIS 4 -4.855 -5.246 -2.918 27 HE1 HIS 4 HE1 HIS 4 -7.132 -8.582 -4.086 28 HE2 HIS 4 HE2 HIS 4 -5.434 -7.577 -2.466 29 H TYR 5 H TYR 5 -3.783 -3.620 -3.406 30 HA TYR 5 HA TYR 5 -1.935 -4.047 -4.299 31 HB2 TYR 5 HB2 TYR 5 -3.010 -3.546 -7.125 32 HB3 TYR 5 HB3 TYR 5 -1.476 -4.369 -6.691 33 HD1 TYR 5 HD1 TYR 5 -1.580 -6.560 -5.351 34 HD2 TYR 5 HD2 TYR 5 -5.022 -4.755 -7.179 35 HE1 TYR 5 HE1 TYR 5 -2.766 -8.726 -5.246 36 HE2 TYR 5 HE2 TYR 5 -6.208 -6.934 -7.085 37 HH TYR 5 HH TYR 5 -4.663 -9.871 -5.851 38 H GLY 6 H GLY 6 -3.204 -1.167 -4.025 39 HA2 GLY 6 HA2 GLY 6 -1.285 0.514 -5.396 40 HA3 GLY 6 HA3 GLY 6 -2.475 0.988 -4.128 41 H GLN 7 H GLN 7 -0.117 2.239 -3.804 42 HA GLN 7 HA GLN 7 1.610 0.496 -2.194 43 HB2 GLN 7 HB2 GLN 7 2.528 1.929 -3.977 44 HB3 GLN 7 HB3 GLN 7 1.962 3.380 -3.116 45 HG2 GLN 7 HG2 GLN 7 3.506 2.828 -1.171 46 HG3 GLN 7 HG3 GLN 7 3.941 1.273 -1.984 47 HE21 GLN 7 HE21 GLN 7 6.118 2.390 -1.539 48 HE22 GLN 7 HE22 GLN 7 6.744 3.314 -2.900 49 H CYS 8 H CYS 8 1.963 0.872 0.093 50 HA CYS 8 HA CYS 8 0.357 3.110 1.249 51 HB2 CYS 8 HB2 CYS 8 -0.849 1.836 2.720 52 HB3 CYS 8 HB3 CYS 8 -0.747 0.807 1.265 53 H GLY 9 H GLY 9 3.335 1.536 1.149 54 HA2 GLY 9 HA2 GLY 9 4.363 3.168 3.343 55 HA3 GLY 9 HA3 GLY 9 4.377 1.376 3.570 56 H GLY 10 H GLY 10 5.611 4.060 1.568 57 HA2 GLY 10 HA2 GLY 10 8.010 2.375 1.174 58 HA3 GLY 10 HA3 GLY 10 7.267 3.201 -0.245 59 H ILE 11 H ILE 11 9.784 3.816 0.355 60 HA ILE 11 HA ILE 11 9.882 6.017 2.175 61 HB ILE 11 HB ILE 11 12.124 5.839 1.972 62 HG12 ILE 11 HG12 ILE 11 12.509 6.681 -0.258 63 HG13 ILE 11 HG13 ILE 11 13.442 5.198 -0.005 64 HG21 ILE 11 HG21 ILE 11 12.752 3.498 1.794 65 HG22 ILE 11 HG22 ILE 11 11.413 3.151 0.662 66 HG23 ILE 11 HG23 ILE 11 11.072 3.511 2.403 67 HD11 ILE 11 HD11 ILE 11 11.517 5.823 -2.137 68 HD12 ILE 11 HD12 ILE 11 10.992 4.320 -1.298 69 HD13 ILE 11 HD13 ILE 11 12.628 4.433 -2.029 70 H GLY 12 H GLY 12 8.969 5.597 -0.997 71 HA2 GLY 12 HA2 GLY 12 9.238 8.441 -1.802 72 HA3 GLY 12 HA3 GLY 12 9.526 7.023 -2.901 73 H TYR 13 H TYR 13 7.169 7.208 -0.355 74 HA TYR 13 HA TYR 13 5.050 6.907 -2.367 75 HB2 TYR 13 HB2 TYR 13 5.449 4.864 -0.972 76 HB3 TYR 13 HB3 TYR 13 5.318 5.857 0.522 77 HD1 TYR 13 HD1 TYR 13 3.379 5.630 -2.721 78 HD2 TYR 13 HD2 TYR 13 3.282 5.473 1.596 79 HE1 TYR 13 HE1 TYR 13 0.915 5.648 -2.771 80 HE2 TYR 13 HE2 TYR 13 0.791 5.478 1.510 81 HH TYR 13 HH TYR 13 -0.788 4.624 -1.042 82 H SER 14 H SER 14 3.619 8.508 -2.508 83 HA SER 14 HA SER 14 3.044 10.140 -0.122 84 HB2 SER 14 HB2 SER 14 3.882 11.125 -2.880 85 HB3 SER 14 HB3 SER 14 2.871 12.166 -1.815 86 HG SER 14 HG SER 14 4.696 11.431 -0.207 87 H GLY 15 H GLY 15 1.256 8.551 -0.004 88 HA2 GLY 15 HA2 GLY 15 -1.048 9.802 -1.189 89 HA3 GLY 15 HA3 GLY 15 -0.710 8.093 -1.694 90 HA PRO 16 HA PRO 16 -3.382 8.174 2.144 91 HB2 PRO 16 HB2 PRO 16 -4.594 5.746 0.827 92 HB3 PRO 16 HB3 PRO 16 -5.417 7.221 1.458 93 HG2 PRO 16 HG2 PRO 16 -4.658 6.534 -1.318 94 HG3 PRO 16 HG3 PRO 16 -5.585 7.960 -0.776 95 HD2 PRO 16 HD2 PRO 16 -2.926 7.937 -1.792 96 HD3 PRO 16 HD3 PRO 16 -3.666 9.305 -0.846 97 H THR 17 H THR 17 -2.744 7.202 4.068 98 HA THR 17 HA THR 17 -0.732 5.188 3.797 99 HB THR 17 HB THR 17 -1.798 6.169 6.482 100 HG1 THR 17 HG1 THR 17 -0.030 7.673 4.936 101 HG21 THR 17 HG21 THR 17 0.236 4.565 6.250 102 HG22 THR 17 HG22 THR 17 0.594 6.122 7.058 103 HG23 THR 17 HG23 THR 17 1.077 5.852 5.335 104 H VAL 18 H VAL 18 -3.929 4.645 3.823 105 HA VAL 18 HA VAL 18 -3.741 2.266 5.620 106 HB VAL 18 HB VAL 18 -6.292 3.898 5.166 107 HG11 VAL 18 HG11 VAL 18 -7.273 2.474 6.845 108 HG12 VAL 18 HG12 VAL 18 -5.678 1.937 7.474 109 HG13 VAL 18 HG13 VAL 18 -6.309 1.297 5.919 110 HG21 VAL 18 HG21 VAL 18 -5.772 4.363 7.788 111 HG22 VAL 18 HG22 VAL 18 -5.245 5.477 6.473 112 HG23 VAL 18 HG23 VAL 18 -4.083 4.297 7.188 113 H CYS 19 H CYS 19 -4.759 0.378 4.653 114 HA CYS 19 HA CYS 19 -5.038 0.577 1.773 115 HB2 CYS 19 HB2 CYS 19 -4.963 -1.669 3.848 116 HB3 CYS 19 HB3 CYS 19 -5.191 -2.008 2.120 117 H ALA 20 H ALA 20 -6.830 -0.233 0.564 118 HA ALA 20 HA ALA 20 -9.211 0.721 0.825 119 HB1 ALA 20 HB1 ALA 20 -9.985 -0.668 -0.878 120 HB2 ALA 20 HB2 ALA 20 -9.139 -2.112 -0.222 121 HB3 ALA 20 HB3 ALA 20 -8.202 -0.838 -1.047 122 H SER 21 H SER 21 -11.474 -0.099 1.332 123 HA SER 21 HA SER 21 -11.474 -0.927 4.026 124 HB2 SER 21 HB2 SER 21 -13.134 0.625 2.822 125 HB3 SER 21 HB3 SER 21 -13.873 -0.849 2.111 126 HG SER 21 HG SER 21 -13.630 -0.235 4.907 127 H GLY 22 H GLY 22 -10.895 -2.791 1.467 128 HA2 GLY 22 HA2 GLY 22 -11.498 -5.294 2.869 129 HA3 GLY 22 HA3 GLY 22 -11.744 -5.129 1.091 130 H THR 23 H THR 23 -8.976 -3.378 2.293 131 HA THR 23 HA THR 23 -7.255 -5.646 1.532 132 HB THR 23 HB THR 23 -5.584 -4.217 0.461 133 HG1 THR 23 HG1 THR 23 -7.202 -2.326 1.253 134 HG21 THR 23 HG21 THR 23 -7.836 -3.533 -1.374 135 HG22 THR 23 HG22 THR 23 -7.876 -5.249 -0.785 136 HG23 THR 23 HG23 THR 23 -6.397 -4.596 -1.560 137 H THR 24 H THR 24 -5.221 -5.683 2.485 138 HA THR 24 HA THR 24 -4.903 -4.048 4.955 139 HB THR 24 HB THR 24 -3.933 -6.885 4.327 140 HG1 THR 24 HG1 THR 24 -6.269 -5.991 5.532 141 HG21 THR 24 HG21 THR 24 -4.244 -6.648 7.124 142 HG22 THR 24 HG22 THR 24 -3.658 -5.000 6.724 143 HG23 THR 24 HG23 THR 24 -2.681 -6.461 6.326 144 H CYS 25 H CYS 25 -2.447 -3.660 5.648 145 HA CYS 25 HA CYS 25 -0.881 -2.888 3.269 146 HB2 CYS 25 HB2 CYS 25 -0.965 -2.144 6.228 147 HB3 CYS 25 HB3 CYS 25 0.618 -1.988 5.437 148 H GLN 26 H GLN 26 0.454 -4.634 2.467 149 HA GLN 26 HA GLN 26 2.029 -6.018 4.594 150 HB2 GLN 26 HB2 GLN 26 1.733 -7.410 1.886 151 HB3 GLN 26 HB3 GLN 26 2.396 -7.978 3.427 152 HG2 GLN 26 HG2 GLN 26 -0.394 -8.149 2.441 153 HG3 GLN 26 HG3 GLN 26 0.500 -9.211 3.550 154 HE21 GLN 26 HE21 GLN 26 -1.651 -6.568 3.212 155 HE22 GLN 26 HE22 GLN 26 -1.841 -6.204 4.898 156 H VAL 27 H VAL 27 4.223 -6.516 4.065 157 HA VAL 27 HA VAL 27 5.351 -4.426 2.339 158 HB VAL 27 HB VAL 27 6.444 -5.881 4.767 159 HG11 VAL 27 HG11 VAL 27 8.364 -5.583 3.283 160 HG12 VAL 27 HG12 VAL 27 8.412 -4.197 4.425 161 HG13 VAL 27 HG13 VAL 27 7.800 -3.951 2.755 162 HG21 VAL 27 HG21 VAL 27 6.442 -2.911 4.724 163 HG22 VAL 27 HG22 VAL 27 5.784 -4.019 5.954 164 HG23 VAL 27 HG23 VAL 27 4.777 -3.556 4.537 165 H LEU 28 H LEU 28 6.690 -4.824 0.746 166 HA LEU 28 HA LEU 28 7.171 -7.632 -0.012 167 HB2 LEU 28 HB2 LEU 28 7.560 -5.080 -1.731 168 HB3 LEU 28 HB3 LEU 28 7.475 -6.790 -2.267 169 HG LEU 28 HG LEU 28 5.553 -5.622 -2.982 170 HD11 LEU 28 HD11 LEU 28 4.317 -7.106 -0.619 171 HD12 LEU 28 HD12 LEU 28 5.361 -8.017 -1.769 172 HD13 LEU 28 HD13 LEU 28 3.900 -7.153 -2.371 173 HD21 LEU 28 HD21 LEU 28 4.137 -4.197 -1.774 174 HD22 LEU 28 HD22 LEU 28 5.722 -3.873 -0.995 175 HD23 LEU 28 HD23 LEU 28 4.520 -4.941 -0.191 176 H ASN 29 H ASN 29 8.677 -4.345 0.215 177 HA ASN 29 HA ASN 29 11.252 -5.621 0.705 178 HB2 ASN 29 HB2 ASN 29 11.625 -3.264 -1.094 179 HB3 ASN 29 HB3 ASN 29 12.327 -4.907 -1.205 180 HD21 ASN 29 HD21 ASN 29 10.285 -6.558 -1.991 181 HD22 ASN 29 HD22 ASN 29 9.582 -5.922 -3.463 182 HA PRO 30 HA PRO 30 11.307 -2.280 3.567 183 HB2 PRO 30 HB2 PRO 30 14.019 -1.530 3.756 184 HB3 PRO 30 HB3 PRO 30 13.394 -3.109 4.357 185 HG2 PRO 30 HG2 PRO 30 14.742 -2.513 1.665 186 HG3 PRO 30 HG3 PRO 30 15.098 -3.862 2.817 187 HD2 PRO 30 HD2 PRO 30 13.480 -4.175 0.602 188 HD3 PRO 30 HD3 PRO 30 13.125 -5.068 2.153 189 H TYR 31 H TYR 31 11.679 -1.697 0.384 190 HA TYR 31 HA TYR 31 11.618 1.208 0.756 191 HB2 TYR 31 HB2 TYR 31 12.883 -0.521 -1.441 192 HB3 TYR 31 HB3 TYR 31 12.399 1.174 -1.800 193 HD1 TYR 31 HD1 TYR 31 13.357 3.011 -0.638 194 HD2 TYR 31 HD2 TYR 31 14.865 -0.917 0.062 195 HE1 TYR 31 HE1 TYR 31 15.371 4.003 0.408 196 HE2 TYR 31 HE2 TYR 31 16.910 0.063 1.099 197 HH TYR 31 HH TYR 31 17.480 3.564 1.117 198 H TYR 32 H TYR 32 9.524 -1.318 0.361 199 HA TYR 32 HA TYR 32 7.576 0.345 -0.914 200 HB2 TYR 32 HB2 TYR 32 8.802 -0.519 -2.956 201 HB3 TYR 32 HB3 TYR 32 8.571 -2.185 -2.339 202 HD1 TYR 32 HD2 TYR 32 6.738 0.822 -3.558 203 HD2 TYR 32 HD1 TYR 32 6.669 -3.397 -2.969 204 HE1 TYR 32 HE2 TYR 32 4.456 0.727 -4.570 205 HE2 TYR 32 HE1 TYR 32 4.416 -3.523 -4.004 206 HH TYR 32 HH TYR 32 2.793 -2.316 -5.151 207 H SER 33 H SER 33 5.487 -0.193 -0.308 208 HA SER 33 HA SER 33 4.900 -2.873 0.695 209 HB2 SER 33 HB2 SER 33 4.045 -0.405 2.280 210 HB3 SER 33 HB3 SER 33 3.694 -2.112 2.679 211 HG SER 33 HG SER 33 6.127 -2.262 2.760 212 H GLN 34 H GLN 34 2.683 -3.397 0.290 213 HA GLN 34 HA GLN 34 1.259 -1.315 -1.236 214 HB2 GLN 34 HB2 GLN 34 0.908 -2.641 -3.097 215 HB3 GLN 34 HB3 GLN 34 2.561 -3.107 -2.647 216 HG2 GLN 34 HG2 GLN 34 1.611 -5.194 -1.473 217 HG3 GLN 34 HG3 GLN 34 -0.027 -4.709 -2.044 218 HE21 GLN 34 HE21 GLN 34 0.203 -4.016 -4.649 219 HE22 GLN 34 HE22 GLN 34 0.790 -5.414 -5.523 220 H CYS 35 H CYS 35 -1.009 -2.040 -1.650 221 HA CYS 35 HA CYS 35 -2.183 -3.103 0.820 222 HB2 CYS 35 HB2 CYS 35 -3.211 -1.401 -1.502 223 HB3 CYS 35 HB3 CYS 35 -4.340 -2.056 -0.266 224 H LEU 36 H LEU 36 -3.252 -4.965 1.017 225 HA LEU 36 HA LEU 36 -3.661 -6.553 -1.435 226 HB2 LEU 36 HB2 LEU 36 -2.831 -7.418 1.400 227 HB3 LEU 36 HB3 LEU 36 -3.105 -8.508 0.007 228 HG LEU 36 HG LEU 36 -0.764 -8.309 0.246 229 HD11 LEU 36 HD11 LEU 36 -1.747 -8.095 -2.118 230 HD12 LEU 36 HD12 LEU 36 -0.070 -7.436 -1.944 231 HD13 LEU 36 HD13 LEU 36 -1.486 -6.325 -2.010 232 HD21 LEU 36 HD21 LEU 36 0.506 -6.342 0.692 233 HD22 LEU 36 HD22 LEU 36 -1.049 -5.953 1.533 234 HD23 LEU 36 HD23 LEU 36 -0.688 -5.291 -0.077 235 H1 MAN 101 H1 MAN 37 -10.538 1.741 1.969 236 H2 MAN 101 H2 MAN 37 -9.163 2.785 0.127 237 H3 MAN 101 H3 MAN 37 -9.911 5.015 0.420 238 H4 MAN 101 H4 MAN 37 -12.552 4.170 -0.814 239 H5 MAN 101 H5 MAN 37 -11.936 5.026 2.077 240 H61 MAN 101 H61 MAN 37 -14.442 3.884 0.744 241 H62 MAN 101 H62 MAN 37 -14.220 5.570 1.340 242 HO2 MAN 101 HO2 MAN 37 -10.201 1.835 -1.450 243 HO3 MAN 101 HO3 MAN 37 -10.112 5.552 -1.775 244 HO4 MAN 101 HO4 MAN 37 -12.596 6.298 -1.085 245 HO6 MAN 101 HO6 MAN 37 -14.001 4.624 3.508 246 H1 MAN 102 H1 MAN 38 -7.582 3.000 -6.878 247 H2 MAN 102 H2 MAN 38 -5.912 1.204 -7.439 248 H3 MAN 102 H3 MAN 38 -4.217 1.966 -5.761 249 H4 MAN 102 H4 MAN 38 -3.772 4.230 -7.766 250 H5 MAN 102 H5 MAN 38 -4.750 4.207 -4.853 251 H61 MAN 102 H61 MAN 38 -4.575 6.500 -6.880 252 H62 MAN 102 H62 MAN 38 -3.483 6.256 -5.470 253 HO2 MAN 102 HO2 MAN 38 -6.356 3.403 -8.845 254 HO3 MAN 102 HO3 MAN 38 -3.685 0.768 -7.904 255 HO4 MAN 102 HO4 MAN 38 -1.827 3.827 -6.866 256 HO6 MAN 102 HO6 MAN 38 -6.328 6.509 -5.314
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