NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
487812 | 2rqz | 11006 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 -6.226 13.599 -0.028 2 HA ASP 1 HA ASP 1 -6.936 13.644 2.352 3 HB2 ASP 1 HB2 ASP 1 -9.349 13.368 2.786 4 HB3 ASP 1 HB3 ASP 1 -9.007 14.869 1.931 5 H VAL 2 H VAL 2 -7.732 11.696 3.516 6 HA VAL 2 HA VAL 2 -7.770 9.442 3.837 7 HB VAL 2 HB VAL 2 -8.570 9.210 0.936 8 HG11 VAL 2 HG11 VAL 2 -9.725 7.171 1.738 9 HG12 VAL 2 HG12 VAL 2 -8.998 7.421 3.326 10 HG13 VAL 2 HG13 VAL 2 -7.973 7.097 1.928 11 HG21 VAL 2 HG21 VAL 2 -10.317 10.495 1.529 12 HG22 VAL 2 HG22 VAL 2 -10.030 10.264 3.254 13 HG23 VAL 2 HG23 VAL 2 -10.895 9.034 2.331 14 H ASN 3 H ASN 3 -6.395 7.682 3.678 15 HA ASN 3 HA ASN 3 -4.144 8.013 1.804 16 HB2 ASN 3 HB2 ASN 3 -4.146 6.765 4.561 17 HB3 ASN 3 HB3 ASN 3 -2.754 6.858 3.487 18 HD21 ASN 3 HD21 ASN 3 -2.721 7.899 6.041 19 HD22 ASN 3 HD22 ASN 3 -2.616 9.620 5.948 20 H GLU 4 H GLU 4 -2.890 5.706 1.840 21 HA GLU 4 HA GLU 4 -4.917 3.752 0.977 22 HB2 GLU 4 HB2 GLU 4 -2.648 4.806 -0.361 23 HB3 GLU 4 HB3 GLU 4 -2.309 3.113 -0.024 24 HG2 GLU 4 HG2 GLU 4 -4.746 4.161 -1.446 25 HG3 GLU 4 HG3 GLU 4 -3.337 3.430 -2.215 26 H CYS 5 H CYS 5 -1.978 4.227 2.829 27 HA CYS 5 HA CYS 5 -2.023 1.430 3.691 28 HB2 CYS 5 HB2 CYS 5 0.125 2.401 2.910 29 HB3 CYS 5 HB3 CYS 5 0.048 3.544 4.241 30 H ILE 6 H ILE 6 -3.879 1.607 5.029 31 HA ILE 6 HA ILE 6 -3.579 3.289 7.412 32 HB ILE 6 HB ILE 6 -6.031 1.763 6.601 33 HG12 ILE 6 HG12 ILE 6 -5.387 3.365 4.827 34 HG13 ILE 6 HG13 ILE 6 -6.888 3.822 5.624 35 HG21 ILE 6 HG21 ILE 6 -5.497 3.971 8.566 36 HG22 ILE 6 HG22 ILE 6 -6.115 2.351 8.887 37 HG23 ILE 6 HG23 ILE 6 -7.120 3.526 8.040 38 HD11 ILE 6 HD11 ILE 6 -5.826 5.836 5.529 39 HD12 ILE 6 HD12 ILE 6 -4.222 5.125 5.703 40 HD13 ILE 6 HD13 ILE 6 -5.278 5.269 7.108 41 H SER 7 H SER 7 -4.980 0.093 6.747 42 HA SER 7 HA SER 7 -3.820 -0.848 9.277 43 HB2 SER 7 HB2 SER 7 -6.401 -0.870 8.756 44 HB3 SER 7 HB3 SER 7 -5.998 -2.334 7.859 45 HG SER 7 HG SER 7 -5.322 -1.871 10.576 46 H ASN 8 H ASN 8 -1.946 -0.858 7.475 47 HA ASN 8 HA ASN 8 -0.439 -2.111 6.323 48 HB2 ASN 8 HB2 ASN 8 -0.469 -3.467 8.356 49 HB3 ASN 8 HB3 ASN 8 -1.850 -4.371 7.754 50 HD21 ASN 8 HD21 ASN 8 -0.010 -5.941 8.436 51 HD22 ASN 8 HD22 ASN 8 0.947 -6.512 7.124 52 HA PRO 9 HA PRO 9 -3.379 -2.867 2.864 53 HB2 PRO 9 HB2 PRO 9 -1.479 -2.250 0.960 54 HB3 PRO 9 HB3 PRO 9 -2.587 -1.084 1.687 55 HG2 PRO 9 HG2 PRO 9 0.266 -1.664 2.353 56 HG3 PRO 9 HG3 PRO 9 -0.577 -0.105 2.286 57 HD2 PRO 9 HD2 PRO 9 -0.033 -1.324 4.618 58 HD3 PRO 9 HD3 PRO 9 -1.521 -0.385 4.381 59 H CYS 10 H CYS 10 -0.052 -3.949 3.315 60 HA CYS 10 HA CYS 10 -0.002 -5.940 1.344 61 HB2 CYS 10 HB2 CYS 10 1.439 -6.115 3.989 62 HB3 CYS 10 HB3 CYS 10 1.925 -6.804 2.446 63 H GLN 11 H GLN 11 -0.177 -8.245 1.554 64 HA GLN 11 HA GLN 11 -2.012 -9.086 3.703 65 HB2 GLN 11 HB2 GLN 11 -2.234 -9.320 0.780 66 HB3 GLN 11 HB3 GLN 11 -2.573 -10.808 1.653 67 HG2 GLN 11 HG2 GLN 11 -3.870 -8.217 2.407 68 HG3 GLN 11 HG3 GLN 11 -4.520 -9.247 1.132 69 HE21 GLN 11 HE21 GLN 11 -3.824 -8.999 4.544 70 HE22 GLN 11 HE22 GLN 11 -4.863 -10.282 5.050 71 H ASN 12 H ASN 12 0.892 -9.299 3.653 72 HA ASN 12 HA ASN 12 1.061 -12.158 4.129 73 HB2 ASN 12 HB2 ASN 12 2.476 -10.765 1.919 74 HB3 ASN 12 HB3 ASN 12 3.391 -11.962 2.825 75 HD21 ASN 12 HD21 ASN 12 3.037 -12.441 0.271 76 HD22 ASN 12 HD22 ASN 12 1.884 -13.695 0.025 77 H ASP 13 H ASP 13 1.288 -9.468 5.563 78 HA ASP 13 HA ASP 13 2.378 -8.726 7.420 79 HB2 ASP 13 HB2 ASP 13 2.763 -11.403 7.569 80 HB3 ASP 13 HB3 ASP 13 4.433 -10.859 7.433 81 H ALA 14 H ALA 14 3.034 -7.711 4.971 82 HA ALA 14 HA ALA 14 5.937 -7.555 4.816 83 HB1 ALA 14 HB1 ALA 14 5.478 -7.424 2.650 84 HB2 ALA 14 HB2 ALA 14 4.790 -5.825 2.931 85 HB3 ALA 14 HB3 ALA 14 3.755 -7.252 2.981 86 H THR 15 H THR 15 6.927 -5.371 4.514 87 HA THR 15 HA THR 15 5.976 -3.604 6.621 88 HB THR 15 HB THR 15 8.522 -3.582 4.985 89 HG21 THR 15 HG21 THR 15 9.403 -1.927 6.412 90 HG22 THR 15 HG22 THR 15 7.998 -1.992 7.476 91 HG23 THR 15 HG23 THR 15 7.843 -1.323 5.851 92 H CYS 16 H CYS 16 5.023 -1.691 6.299 93 HA CYS 16 HA CYS 16 4.598 -0.827 3.536 94 HB2 CYS 16 HB2 CYS 16 2.678 -1.184 5.184 95 HB3 CYS 16 HB3 CYS 16 3.237 0.279 5.990 96 H LEU 17 H LEU 17 5.428 1.004 2.728 97 HA LEU 17 HA LEU 17 6.814 2.824 4.587 98 HB2 LEU 17 HB2 LEU 17 7.782 1.410 2.250 99 HB3 LEU 17 HB3 LEU 17 7.997 3.143 2.076 100 HG LEU 17 HG LEU 17 9.009 1.511 4.406 101 HD11 LEU 17 HD11 LEU 17 10.172 2.206 1.782 102 HD12 LEU 17 HD12 LEU 17 10.492 0.833 2.842 103 HD13 LEU 17 HD13 LEU 17 11.220 2.401 3.187 104 HD21 LEU 17 HD21 LEU 17 8.422 4.004 4.689 105 HD22 LEU 17 HD22 LEU 17 9.836 4.296 3.677 106 HD23 LEU 17 HD23 LEU 17 10.011 3.447 5.213 107 H ASP 18 H ASP 18 7.449 4.866 2.925 108 HA ASP 18 HA ASP 18 4.808 5.954 2.284 109 HB2 ASP 18 HB2 ASP 18 7.405 7.116 3.141 110 HB3 ASP 18 HB3 ASP 18 6.408 8.098 2.072 111 H GLN 19 H GLN 19 4.345 6.930 0.312 112 HA GLN 19 HA GLN 19 6.338 6.806 -1.810 113 HB2 GLN 19 HB2 GLN 19 4.056 4.984 -1.566 114 HB3 GLN 19 HB3 GLN 19 4.130 5.806 -3.117 115 HG2 GLN 19 HG2 GLN 19 6.735 4.980 -2.660 116 HG3 GLN 19 HG3 GLN 19 5.743 3.641 -2.087 117 HE21 GLN 19 HE21 GLN 19 6.696 2.461 -3.857 118 HE22 GLN 19 HE22 GLN 19 6.031 2.615 -5.443 119 H ILE 20 H ILE 20 5.076 7.548 -3.964 120 HA ILE 20 HA ILE 20 4.000 10.158 -3.284 121 HB ILE 20 HB ILE 20 4.110 10.485 -5.802 122 HG12 ILE 20 HG12 ILE 20 6.047 8.242 -5.933 123 HG13 ILE 20 HG13 ILE 20 4.340 7.815 -5.962 124 HG21 ILE 20 HG21 ILE 20 5.805 11.586 -4.759 125 HG22 ILE 20 HG22 ILE 20 6.754 10.402 -5.657 126 HG23 ILE 20 HG23 ILE 20 6.396 10.133 -3.951 127 HD11 ILE 20 HD11 ILE 20 5.493 8.136 -8.192 128 HD12 ILE 20 HD12 ILE 20 5.503 9.859 -7.820 129 HD13 ILE 20 HD13 ILE 20 3.971 8.995 -7.952 130 H GLY 21 H GLY 21 1.884 9.964 -2.713 131 HA2 GLY 21 HA2 GLY 21 -0.377 9.675 -2.967 132 HA3 GLY 21 HA3 GLY 21 -0.076 9.753 -4.695 133 H GLU 22 H GLU 22 1.509 7.274 -2.891 134 HA GLU 22 HA GLU 22 -0.565 5.310 -3.445 135 HB2 GLU 22 HB2 GLU 22 2.220 5.067 -4.599 136 HB3 GLU 22 HB3 GLU 22 0.969 3.832 -4.673 137 HG2 GLU 22 HG2 GLU 22 -0.395 5.779 -5.812 138 HG3 GLU 22 HG3 GLU 22 1.223 6.374 -6.181 139 H PHE 23 H PHE 23 0.494 3.016 -2.838 140 HA PHE 23 HA PHE 23 1.620 3.407 -0.161 141 HB2 PHE 23 HB2 PHE 23 0.760 1.128 0.312 142 HB3 PHE 23 HB3 PHE 23 -0.507 2.264 -0.143 143 HD1 PHE 23 HD1 PHE 23 1.550 -0.553 -1.319 144 HD2 PHE 23 HD2 PHE 23 -1.824 1.926 -2.067 145 HE1 PHE 23 HE1 PHE 23 0.818 -2.095 -3.095 146 HE2 PHE 23 HE2 PHE 23 -2.565 0.391 -3.844 147 HZ PHE 23 HZ PHE 23 -1.243 -1.623 -4.360 148 H GLN 24 H GLN 24 3.206 1.872 0.621 149 HA GLN 24 HA GLN 24 4.843 0.724 -1.543 150 HB2 GLN 24 HB2 GLN 24 5.608 2.834 -0.038 151 HB3 GLN 24 HB3 GLN 24 6.200 1.517 0.963 152 HG2 GLN 24 HG2 GLN 24 6.822 1.423 -1.931 153 HG3 GLN 24 HG3 GLN 24 7.661 2.622 -0.948 154 HE21 GLN 24 HE21 GLN 24 9.494 1.982 -0.089 155 HE22 GLN 24 HE22 GLN 24 9.944 0.352 0.264 156 H CYS 25 H CYS 25 3.912 -1.326 -1.280 157 HA CYS 25 HA CYS 25 4.106 -2.622 1.318 158 HB2 CYS 25 HB2 CYS 25 2.600 -3.045 -1.144 159 HB3 CYS 25 HB3 CYS 25 3.280 -4.539 -0.511 160 H ILE 26 H ILE 26 6.064 -3.341 1.865 161 HA ILE 26 HA ILE 26 7.889 -4.345 -0.172 162 HB ILE 26 HB ILE 26 8.398 -4.143 2.793 163 HG12 ILE 26 HG12 ILE 26 9.081 -2.096 0.674 164 HG13 ILE 26 HG13 ILE 26 7.716 -1.952 1.777 165 HG21 ILE 26 HG21 ILE 26 10.769 -4.002 2.013 166 HG22 ILE 26 HG22 ILE 26 10.196 -4.389 0.391 167 HG23 ILE 26 HG23 ILE 26 9.984 -5.549 1.701 168 HD11 ILE 26 HD11 ILE 26 9.628 -2.306 3.577 169 HD12 ILE 26 HD12 ILE 26 9.236 -0.720 2.913 170 HD13 ILE 26 HD13 ILE 26 10.611 -1.625 2.281 171 H CYS 27 H CYS 27 7.145 -6.341 -0.785 172 HA CYS 27 HA CYS 27 6.222 -8.309 1.042 173 HB2 CYS 27 HB2 CYS 27 7.254 -8.815 -1.746 174 HB3 CYS 27 HB3 CYS 27 6.072 -9.750 -0.843 175 H MET 28 H MET 28 7.288 -10.595 0.866 176 HA MET 28 HA MET 28 9.819 -10.408 2.148 177 HB2 MET 28 HB2 MET 28 7.814 -12.428 1.674 178 HB3 MET 28 HB3 MET 28 9.415 -13.080 1.360 179 HG2 MET 28 HG2 MET 28 9.940 -11.897 3.670 180 HG3 MET 28 HG3 MET 28 8.208 -12.135 3.894 181 HE1 MET 28 HE1 MET 28 11.281 -14.879 5.096 182 HE2 MET 28 HE2 MET 28 11.305 -13.149 4.753 183 HE3 MET 28 HE3 MET 28 11.736 -14.304 3.491 184 HA PRO 29 HA PRO 29 12.643 -11.022 -1.188 185 HB2 PRO 29 HB2 PRO 29 14.403 -12.839 -0.312 186 HB3 PRO 29 HB3 PRO 29 14.281 -11.235 0.418 187 HG2 PRO 29 HG2 PRO 29 13.155 -13.840 1.374 188 HG3 PRO 29 HG3 PRO 29 13.967 -12.565 2.302 189 HD2 PRO 29 HD2 PRO 29 11.255 -12.855 2.200 190 HD3 PRO 29 HD3 PRO 29 12.061 -11.295 2.459 191 H GLY 30 H GLY 30 11.510 -11.874 -2.909 192 HA2 GLY 30 HA2 GLY 30 11.659 -13.606 -4.566 193 HA3 GLY 30 HA3 GLY 30 11.786 -14.783 -3.268 194 H TYR 31 H TYR 31 9.445 -12.214 -3.114 195 HA TYR 31 HA TYR 31 7.314 -14.215 -3.403 196 HB2 TYR 31 HB2 TYR 31 7.639 -11.749 -1.779 197 HB3 TYR 31 HB3 TYR 31 6.019 -12.100 -2.370 198 HD1 TYR 31 HD1 TYR 31 8.769 -14.266 -1.053 199 HD2 TYR 31 HD2 TYR 31 4.736 -12.969 -0.663 200 HE1 TYR 31 HE1 TYR 31 8.445 -15.855 0.796 201 HE2 TYR 31 HE2 TYR 31 4.400 -14.553 1.188 202 HH TYR 31 HH TYR 31 5.878 -15.720 2.905 203 H GLU 32 H GLU 32 5.141 -12.826 -3.993 204 HA GLU 32 HA GLU 32 5.678 -11.076 -6.261 205 HB2 GLU 32 HB2 GLU 32 4.095 -13.639 -6.506 206 HB3 GLU 32 HB3 GLU 32 4.197 -12.395 -7.744 207 HG2 GLU 32 HG2 GLU 32 6.793 -12.831 -7.425 208 HG3 GLU 32 HG3 GLU 32 6.198 -14.404 -6.898 209 H GLY 33 H GLY 33 3.381 -10.521 -7.293 210 HA2 GLY 33 HA2 GLY 33 1.101 -9.996 -6.895 211 HA3 GLY 33 HA3 GLY 33 1.363 -10.278 -5.180 212 H VAL 34 H VAL 34 0.004 -8.050 -6.006 213 HA VAL 34 HA VAL 34 1.867 -5.816 -6.039 214 HB VAL 34 HB VAL 34 -1.149 -5.704 -5.977 215 HG11 VAL 34 HG11 VAL 34 0.458 -3.611 -7.291 216 HG12 VAL 34 HG12 VAL 34 0.592 -3.695 -5.535 217 HG13 VAL 34 HG13 VAL 34 -0.987 -3.475 -6.288 218 HG21 VAL 34 HG21 VAL 34 0.730 -6.305 -8.172 219 HG22 VAL 34 HG22 VAL 34 -0.531 -5.127 -8.532 220 HG23 VAL 34 HG23 VAL 34 -0.967 -6.744 -7.976 221 H TYR 35 H TYR 35 -0.667 -7.154 -3.951 222 HA TYR 35 HA TYR 35 0.112 -5.281 -1.833 223 HB2 TYR 35 HB2 TYR 35 -2.355 -6.811 -2.465 224 HB3 TYR 35 HB3 TYR 35 -1.992 -6.557 -0.762 225 HD1 TYR 35 HD1 TYR 35 -0.810 -3.853 -0.805 226 HD2 TYR 35 HD2 TYR 35 -4.165 -5.417 -2.904 227 HE1 TYR 35 HE1 TYR 35 -1.772 -1.594 -0.942 228 HE2 TYR 35 HE2 TYR 35 -5.135 -3.162 -3.046 229 HH TYR 35 HH TYR 35 -4.458 -0.855 -2.941 230 H CYS 36 H CYS 36 1.723 -7.613 -2.644 231 HA CYS 36 HA CYS 36 2.878 -9.351 -1.731 232 HB2 CYS 36 HB2 CYS 36 2.133 -7.943 0.841 233 HB3 CYS 36 HB3 CYS 36 3.400 -9.154 0.670 234 H GLU 37 H GLU 37 1.250 -10.857 -2.445 235 HA GLU 37 HA GLU 37 0.160 -12.368 -0.226 236 HB2 GLU 37 HB2 GLU 37 -1.674 -10.844 -0.710 237 HB3 GLU 37 HB3 GLU 37 -1.614 -11.271 -2.415 238 HG2 GLU 37 HG2 GLU 37 -3.460 -12.391 -1.366 239 HG3 GLU 37 HG3 GLU 37 -2.243 -13.578 -1.835 240 H ILE 38 H ILE 38 0.418 -12.049 -3.750 241 HA ILE 38 HA ILE 38 0.307 -14.938 -4.082 242 HB ILE 38 HB ILE 38 0.800 -12.887 -6.235 243 HG12 ILE 38 HG12 ILE 38 -1.272 -12.300 -5.087 244 HG13 ILE 38 HG13 ILE 38 -1.631 -12.978 -6.673 245 HG21 ILE 38 HG21 ILE 38 1.235 -15.381 -6.589 246 HG22 ILE 38 HG22 ILE 38 0.204 -14.557 -7.760 247 HG23 ILE 38 HG23 ILE 38 -0.517 -15.568 -6.508 248 HD11 ILE 38 HD11 ILE 38 -2.141 -15.131 -5.606 249 HD12 ILE 38 HD12 ILE 38 -3.176 -13.824 -5.031 250 HD13 ILE 38 HD13 ILE 38 -1.843 -14.399 -4.030 251 H1 FUC 39 H1 FUC 39 10.398 -3.712 6.793 252 H2 FUC 39 H2 FUC 39 11.350 -5.680 7.928 253 H3 FUC 39 H3 FUC 39 8.465 -6.654 8.110 254 H4 FUC 39 H4 FUC 39 9.141 -8.434 6.606 255 H5 FUC 39 H5 FUC 39 8.293 -6.360 5.584 256 H61 FUC 39 H61 FUC 39 9.026 -8.121 4.005 257 H62 FUC 39 H62 FUC 39 9.373 -6.491 3.351 258 H63 FUC 39 H63 FUC 39 10.697 -7.474 4.050 259 HO2 FUC 39 HO2 FUC 39 9.019 -4.636 9.231 260 HO4 FUC 39 HO4 FUC 39 11.673 -7.088 6.547 261 H1 NAG 40 H1 NAG 40 8.528 -9.023 9.056 262 H2 NAG 40 H2 NAG 40 10.356 -8.495 11.470 263 H3 NAG 40 H3 NAG 40 8.234 -10.676 11.073 264 H4 NAG 40 H4 NAG 40 8.171 -8.237 12.936 265 H5 NAG 40 H5 NAG 40 6.548 -8.784 10.375 266 H61 NAG 40 H61 NAG 40 6.410 -6.073 11.011 267 H62 NAG 40 H62 NAG 40 6.240 -6.889 12.582 268 H81 NAG 40 H81 NAG 40 12.549 -12.465 11.034 269 H82 NAG 40 H82 NAG 40 12.209 -11.922 9.364 270 H83 NAG 40 H83 NAG 40 13.662 -11.327 10.220 271 HN2 NAG 40 HN2 NAG 40 10.370 -10.705 9.519 272 HO3 NAG 40 HO3 NAG 40 9.935 -9.930 13.221 273 HO4 NAG 40 HO4 NAG 40 5.858 -9.013 12.933 274 HO6 NAG 40 HO6 NAG 40 4.675 -8.307 11.266 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 1.530 11.669 5.273 2 HA ASP 1 HA ASP 1 -0.703 11.653 4.551 3 HB2 ASP 1 HB2 ASP 1 0.505 10.755 1.929 4 HB3 ASP 1 HB3 ASP 1 -1.228 10.866 2.221 5 H VAL 2 H VAL 2 -2.068 10.055 5.123 6 HA VAL 2 HA VAL 2 -1.206 7.271 4.771 7 HB VAL 2 HB VAL 2 -0.572 7.885 7.045 8 HG11 VAL 2 HG11 VAL 2 -1.913 8.925 8.569 9 HG12 VAL 2 HG12 VAL 2 -3.398 8.282 7.870 10 HG13 VAL 2 HG13 VAL 2 -2.563 9.623 7.086 11 HG21 VAL 2 HG21 VAL 2 -1.206 5.895 7.860 12 HG22 VAL 2 HG22 VAL 2 -2.014 5.683 6.307 13 HG23 VAL 2 HG23 VAL 2 -2.922 6.269 7.701 14 H ASN 3 H ASN 3 -2.815 7.444 3.038 15 HA ASN 3 HA ASN 3 -5.573 7.248 4.057 16 HB2 ASN 3 HB2 ASN 3 -4.451 8.404 1.537 17 HB3 ASN 3 HB3 ASN 3 -6.070 7.714 1.508 18 HD21 ASN 3 HD21 ASN 3 -5.600 10.380 0.994 19 HD22 ASN 3 HD22 ASN 3 -6.275 11.332 2.268 20 H GLU 4 H GLU 4 -3.173 5.868 1.880 21 HA GLU 4 HA GLU 4 -4.941 3.667 1.180 22 HB2 GLU 4 HB2 GLU 4 -2.356 4.722 0.189 23 HB3 GLU 4 HB3 GLU 4 -2.590 2.984 0.049 24 HG2 GLU 4 HG2 GLU 4 -3.605 3.433 -1.873 25 HG3 GLU 4 HG3 GLU 4 -4.961 3.986 -0.891 26 H CYS 5 H CYS 5 -2.064 4.292 3.096 27 HA CYS 5 HA CYS 5 -1.970 1.480 3.915 28 HB2 CYS 5 HB2 CYS 5 0.029 3.406 3.398 29 HB3 CYS 5 HB3 CYS 5 0.083 3.094 5.129 30 H ILE 6 H ILE 6 -3.935 1.688 5.169 31 HA ILE 6 HA ILE 6 -3.664 3.253 7.631 32 HB ILE 6 HB ILE 6 -6.130 1.832 6.689 33 HG12 ILE 6 HG12 ILE 6 -5.414 3.465 4.987 34 HG13 ILE 6 HG13 ILE 6 -6.901 3.969 5.786 35 HG21 ILE 6 HG21 ILE 6 -5.605 2.812 9.127 36 HG22 ILE 6 HG22 ILE 6 -7.220 2.787 8.420 37 HG23 ILE 6 HG23 ILE 6 -6.251 4.259 8.355 38 HD11 ILE 6 HD11 ILE 6 -5.623 5.507 7.186 39 HD12 ILE 6 HD12 ILE 6 -5.401 5.844 5.469 40 HD13 ILE 6 HD13 ILE 6 -4.139 5.007 6.374 41 H SER 7 H SER 7 -5.138 0.130 6.799 42 HA SER 7 HA SER 7 -4.076 -0.943 9.317 43 HB2 SER 7 HB2 SER 7 -6.630 -0.875 8.782 44 HB3 SER 7 HB3 SER 7 -6.273 -2.265 7.758 45 HG SER 7 HG SER 7 -5.426 -3.311 9.599 46 H ASN 8 H ASN 8 -2.169 -0.917 7.531 47 HA ASN 8 HA ASN 8 -0.688 -2.148 6.315 48 HB2 ASN 8 HB2 ASN 8 -0.673 -3.478 8.373 49 HB3 ASN 8 HB3 ASN 8 -2.035 -4.422 7.785 50 HD21 ASN 8 HD21 ASN 8 -0.152 -5.941 8.463 51 HD22 ASN 8 HD22 ASN 8 0.811 -6.494 7.148 52 HA PRO 9 HA PRO 9 -3.648 -2.986 2.903 53 HB2 PRO 9 HB2 PRO 9 -1.749 -2.472 0.967 54 HB3 PRO 9 HB3 PRO 9 -2.829 -1.260 1.661 55 HG2 PRO 9 HG2 PRO 9 0.017 -1.875 2.330 56 HG3 PRO 9 HG3 PRO 9 -0.795 -0.303 2.217 57 HD2 PRO 9 HD2 PRO 9 -0.262 -1.452 4.585 58 HD3 PRO 9 HD3 PRO 9 -1.735 -0.496 4.324 59 H CYS 10 H CYS 10 -0.340 -4.123 3.365 60 HA CYS 10 HA CYS 10 -0.417 -6.207 1.468 61 HB2 CYS 10 HB2 CYS 10 1.224 -6.242 3.999 62 HB3 CYS 10 HB3 CYS 10 1.594 -6.998 2.454 63 H GLN 11 H GLN 11 -0.357 -8.544 1.990 64 HA GLN 11 HA GLN 11 -2.354 -9.176 4.063 65 HB2 GLN 11 HB2 GLN 11 -2.011 -10.037 1.272 66 HB3 GLN 11 HB3 GLN 11 -2.383 -11.336 2.394 67 HG2 GLN 11 HG2 GLN 11 -4.032 -8.889 2.570 68 HG3 GLN 11 HG3 GLN 11 -4.252 -9.913 1.153 69 HE21 GLN 11 HE21 GLN 11 -5.111 -11.960 1.393 70 HE22 GLN 11 HE22 GLN 11 -5.884 -12.481 2.847 71 H ASN 12 H ASN 12 0.757 -10.011 2.721 72 HA ASN 12 HA ASN 12 1.023 -12.336 4.441 73 HB2 ASN 12 HB2 ASN 12 2.527 -11.193 2.154 74 HB3 ASN 12 HB3 ASN 12 3.448 -12.139 3.314 75 HD21 ASN 12 HD21 ASN 12 3.179 -12.910 0.718 76 HD22 ASN 12 HD22 ASN 12 2.239 -14.350 0.657 77 H ASP 13 H ASP 13 1.059 -9.287 5.239 78 HA ASP 13 HA ASP 13 1.897 -8.168 7.038 79 HB2 ASP 13 HB2 ASP 13 2.431 -10.825 7.678 80 HB3 ASP 13 HB3 ASP 13 3.986 -10.022 7.870 81 H ALA 14 H ALA 14 2.744 -7.304 4.768 82 HA ALA 14 HA ALA 14 5.654 -7.313 4.657 83 HB1 ALA 14 HB1 ALA 14 5.242 -7.232 2.478 84 HB2 ALA 14 HB2 ALA 14 4.636 -5.590 2.694 85 HB3 ALA 14 HB3 ALA 14 3.525 -6.958 2.769 86 H THR 15 H THR 15 6.691 -5.124 4.166 87 HA THR 15 HA THR 15 5.892 -3.292 6.279 88 HB THR 15 HB THR 15 8.335 -3.329 4.494 89 HG21 THR 15 HG21 THR 15 8.686 -1.243 5.159 90 HG22 THR 15 HG22 THR 15 8.981 -1.920 6.760 91 HG23 THR 15 HG23 THR 15 7.380 -1.310 6.342 92 H CYS 16 H CYS 16 5.401 -1.126 5.979 93 HA CYS 16 HA CYS 16 4.572 -0.427 3.247 94 HB2 CYS 16 HB2 CYS 16 2.767 -0.448 4.903 95 HB3 CYS 16 HB3 CYS 16 3.656 0.696 5.904 96 H LEU 17 H LEU 17 5.364 1.334 2.232 97 HA LEU 17 HA LEU 17 7.155 3.106 3.756 98 HB2 LEU 17 HB2 LEU 17 8.059 1.296 1.958 99 HB3 LEU 17 HB3 LEU 17 7.778 2.668 0.902 100 HG LEU 17 HG LEU 17 9.206 4.031 2.498 101 HD11 LEU 17 HD11 LEU 17 9.394 1.354 3.732 102 HD12 LEU 17 HD12 LEU 17 9.494 2.955 4.466 103 HD13 LEU 17 HD13 LEU 17 10.889 2.283 3.621 104 HD21 LEU 17 HD21 LEU 17 11.343 2.959 1.623 105 HD22 LEU 17 HD22 LEU 17 10.153 3.466 0.424 106 HD23 LEU 17 HD23 LEU 17 10.298 1.763 0.859 107 H ASP 18 H ASP 18 7.062 5.264 3.284 108 HA ASP 18 HA ASP 18 4.820 6.094 1.601 109 HB2 ASP 18 HB2 ASP 18 5.619 6.898 4.115 110 HB3 ASP 18 HB3 ASP 18 6.218 8.195 3.087 111 H GLN 19 H GLN 19 5.042 7.897 0.144 112 HA GLN 19 HA GLN 19 7.777 8.468 -0.741 113 HB2 GLN 19 HB2 GLN 19 5.595 7.202 -2.336 114 HB3 GLN 19 HB3 GLN 19 6.680 8.323 -3.145 115 HG2 GLN 19 HG2 GLN 19 8.534 6.849 -2.020 116 HG3 GLN 19 HG3 GLN 19 7.242 5.649 -1.973 117 HE21 GLN 19 HE21 GLN 19 9.791 6.659 -3.713 118 HE22 GLN 19 HE22 GLN 19 9.318 6.129 -5.288 119 H ILE 20 H ILE 20 4.613 9.192 -2.155 120 HA ILE 20 HA ILE 20 4.828 11.975 -1.326 121 HB ILE 20 HB ILE 20 4.453 11.293 -4.238 122 HG12 ILE 20 HG12 ILE 20 6.931 12.344 -2.853 123 HG13 ILE 20 HG13 ILE 20 6.740 10.718 -3.499 124 HG21 ILE 20 HG21 ILE 20 5.312 13.971 -3.351 125 HG22 ILE 20 HG22 ILE 20 3.661 13.507 -2.938 126 HG23 ILE 20 HG23 ILE 20 4.184 13.502 -4.623 127 HD11 ILE 20 HD11 ILE 20 7.949 12.643 -4.845 128 HD12 ILE 20 HD12 ILE 20 6.294 12.985 -5.349 129 HD13 ILE 20 HD13 ILE 20 6.995 11.395 -5.647 130 H GLY 21 H GLY 21 2.985 9.607 -3.212 131 HA2 GLY 21 HA2 GLY 21 0.571 10.286 -1.786 132 HA3 GLY 21 HA3 GLY 21 0.556 10.786 -3.471 133 H GLU 22 H GLU 22 2.239 7.917 -2.424 134 HA GLU 22 HA GLU 22 0.048 6.210 -3.338 135 HB2 GLU 22 HB2 GLU 22 2.863 5.935 -4.403 136 HB3 GLU 22 HB3 GLU 22 1.470 4.954 -4.840 137 HG2 GLU 22 HG2 GLU 22 0.605 7.482 -5.414 138 HG3 GLU 22 HG3 GLU 22 2.318 7.563 -5.825 139 H PHE 23 H PHE 23 0.374 3.929 -2.787 140 HA PHE 23 HA PHE 23 1.800 3.692 -0.251 141 HB2 PHE 23 HB2 PHE 23 0.450 1.693 0.120 142 HB3 PHE 23 HB3 PHE 23 -0.573 3.068 -0.284 143 HD1 PHE 23 HD1 PHE 23 -1.698 3.192 -2.431 144 HD2 PHE 23 HD2 PHE 23 0.658 -0.181 -1.351 145 HE1 PHE 23 HE1 PHE 23 -2.728 1.896 -4.256 146 HE2 PHE 23 HE2 PHE 23 -0.364 -1.486 -3.174 147 HZ PHE 23 HZ PHE 23 -2.060 -0.447 -4.628 148 H GLN 24 H GLN 24 3.258 2.030 0.191 149 HA GLN 24 HA GLN 24 4.192 0.477 -2.126 150 HB2 GLN 24 HB2 GLN 24 5.612 2.549 -0.735 151 HB3 GLN 24 HB3 GLN 24 6.435 1.016 -0.486 152 HG2 GLN 24 HG2 GLN 24 7.347 1.187 -2.487 153 HG3 GLN 24 HG3 GLN 24 5.743 1.155 -3.217 154 HE21 GLN 24 HE21 GLN 24 4.585 3.322 -3.107 155 HE22 GLN 24 HE22 GLN 24 5.530 4.712 -3.508 156 H CYS 25 H CYS 25 4.058 -1.615 -1.699 157 HA CYS 25 HA CYS 25 4.216 -2.503 1.099 158 HB2 CYS 25 HB2 CYS 25 2.126 -3.071 -0.035 159 HB3 CYS 25 HB3 CYS 25 3.022 -3.879 -1.316 160 H ILE 26 H ILE 26 6.123 -3.289 1.680 161 HA ILE 26 HA ILE 26 7.933 -4.390 -0.317 162 HB ILE 26 HB ILE 26 8.437 -4.070 2.640 163 HG12 ILE 26 HG12 ILE 26 9.147 -2.141 0.421 164 HG13 ILE 26 HG13 ILE 26 7.807 -1.915 1.541 165 HG21 ILE 26 HG21 ILE 26 10.605 -3.900 0.646 166 HG22 ILE 26 HG22 ILE 26 9.871 -5.488 0.868 167 HG23 ILE 26 HG23 ILE 26 10.585 -4.646 2.244 168 HD11 ILE 26 HD11 ILE 26 9.236 -0.805 2.820 169 HD12 ILE 26 HD12 ILE 26 10.621 -1.360 1.880 170 HD13 ILE 26 HD13 ILE 26 9.983 -2.360 3.185 171 H CYS 27 H CYS 27 7.488 -6.442 -0.855 172 HA CYS 27 HA CYS 27 6.529 -8.327 1.126 173 HB2 CYS 27 HB2 CYS 27 5.900 -8.097 -1.443 174 HB3 CYS 27 HB3 CYS 27 7.274 -9.180 -1.632 175 H MET 28 H MET 28 7.533 -10.534 1.188 176 HA MET 28 HA MET 28 10.174 -10.373 2.098 177 HB2 MET 28 HB2 MET 28 8.132 -12.388 1.859 178 HB3 MET 28 HB3 MET 28 9.687 -13.060 1.389 179 HG2 MET 28 HG2 MET 28 10.483 -11.883 3.603 180 HG3 MET 28 HG3 MET 28 8.777 -12.030 4.020 181 HE1 MET 28 HE1 MET 28 11.836 -14.881 4.952 182 HE2 MET 28 HE2 MET 28 11.911 -13.174 4.515 183 HE3 MET 28 HE3 MET 28 12.127 -14.412 3.277 184 HA PRO 29 HA PRO 29 12.683 -11.081 -1.465 185 HB2 PRO 29 HB2 PRO 29 14.539 -12.842 -0.695 186 HB3 PRO 29 HB3 PRO 29 14.449 -11.226 0.013 187 HG2 PRO 29 HG2 PRO 29 13.462 -13.831 1.111 188 HG3 PRO 29 HG3 PRO 29 14.313 -12.517 1.942 189 HD2 PRO 29 HD2 PRO 29 11.600 -12.881 2.044 190 HD3 PRO 29 HD3 PRO 29 12.391 -11.308 2.251 191 H GLY 30 H GLY 30 11.674 -12.000 -3.173 192 HA2 GLY 30 HA2 GLY 30 11.668 -13.803 -4.729 193 HA3 GLY 30 HA3 GLY 30 11.818 -14.925 -3.385 194 H TYR 31 H TYR 31 9.533 -12.328 -3.176 195 HA TYR 31 HA TYR 31 7.360 -14.290 -3.316 196 HB2 TYR 31 HB2 TYR 31 7.766 -11.712 -1.884 197 HB3 TYR 31 HB3 TYR 31 6.122 -12.126 -2.358 198 HD1 TYR 31 HD1 TYR 31 9.060 -13.859 -0.810 199 HD2 TYR 31 HD2 TYR 31 4.862 -13.170 -0.742 200 HE1 TYR 31 HE1 TYR 31 8.859 -15.306 1.168 201 HE2 TYR 31 HE2 TYR 31 4.650 -14.614 1.237 202 HH TYR 31 HH TYR 31 5.955 -16.522 2.273 203 H GLU 32 H GLU 32 5.189 -12.917 -3.924 204 HA GLU 32 HA GLU 32 5.646 -11.260 -6.266 205 HB2 GLU 32 HB2 GLU 32 4.602 -14.050 -6.373 206 HB3 GLU 32 HB3 GLU 32 3.880 -12.856 -7.444 207 HG2 GLU 32 HG2 GLU 32 5.617 -12.903 -8.821 208 HG3 GLU 32 HG3 GLU 32 6.768 -12.731 -7.496 209 H GLY 33 H GLY 33 3.255 -10.968 -7.326 210 HA2 GLY 33 HA2 GLY 33 0.962 -10.542 -6.896 211 HA3 GLY 33 HA3 GLY 33 1.291 -10.652 -5.173 212 H VAL 34 H VAL 34 -0.231 -8.610 -5.894 213 HA VAL 34 HA VAL 34 1.419 -6.263 -6.378 214 HB VAL 34 HB VAL 34 -1.552 -6.354 -5.852 215 HG11 VAL 34 HG11 VAL 34 -1.591 -4.185 -6.912 216 HG12 VAL 34 HG12 VAL 34 0.139 -4.278 -7.240 217 HG13 VAL 34 HG13 VAL 34 -0.437 -4.165 -5.578 218 HG21 VAL 34 HG21 VAL 34 -1.834 -6.281 -8.288 219 HG22 VAL 34 HG22 VAL 34 -1.032 -7.762 -7.766 220 HG23 VAL 34 HG23 VAL 34 -0.091 -6.458 -8.489 221 H TYR 35 H TYR 35 -0.845 -7.413 -3.878 222 HA TYR 35 HA TYR 35 0.241 -5.424 -2.021 223 HB2 TYR 35 HB2 TYR 35 -2.284 -7.021 -2.138 224 HB3 TYR 35 HB3 TYR 35 -1.701 -6.479 -0.569 225 HD1 TYR 35 HD1 TYR 35 -1.008 -3.897 -0.523 226 HD2 TYR 35 HD2 TYR 35 -3.750 -5.647 -3.265 227 HE1 TYR 35 HE1 TYR 35 -2.023 -1.691 -0.908 228 HE2 TYR 35 HE2 TYR 35 -4.772 -3.446 -3.658 229 HH TYR 35 HH TYR 35 -4.928 -1.200 -2.190 230 H CYS 36 H CYS 36 1.749 -7.793 -2.835 231 HA CYS 36 HA CYS 36 3.064 -9.413 -1.932 232 HB2 CYS 36 HB2 CYS 36 3.739 -7.592 -0.437 233 HB3 CYS 36 HB3 CYS 36 2.400 -7.968 0.642 234 H GLU 37 H GLU 37 1.164 -10.795 -2.584 235 HA GLU 37 HA GLU 37 0.497 -12.518 -0.359 236 HB2 GLU 37 HB2 GLU 37 -1.316 -10.815 -0.365 237 HB3 GLU 37 HB3 GLU 37 -1.713 -11.280 -2.012 238 HG2 GLU 37 HG2 GLU 37 -3.137 -12.240 -0.140 239 HG3 GLU 37 HG3 GLU 37 -2.532 -13.363 -1.354 240 H ILE 38 H ILE 38 1.991 -12.581 -2.933 241 HA ILE 38 HA ILE 38 0.802 -15.050 -3.945 242 HB ILE 38 HB ILE 38 1.751 -12.890 -5.824 243 HG12 ILE 38 HG12 ILE 38 -0.345 -12.250 -4.642 244 HG13 ILE 38 HG13 ILE 38 -0.572 -12.475 -6.373 245 HG21 ILE 38 HG21 ILE 38 0.933 -14.283 -7.572 246 HG22 ILE 38 HG22 ILE 38 0.193 -15.395 -6.420 247 HG23 ILE 38 HG23 ILE 38 1.949 -15.284 -6.535 248 HD11 ILE 38 HD11 ILE 38 -1.884 -14.308 -6.101 249 HD12 ILE 38 HD12 ILE 38 -2.252 -13.461 -4.598 250 HD13 ILE 38 HD13 ILE 38 -1.093 -14.790 -4.600 251 H1 FUC 39 H1 FUC 39 10.273 -3.355 6.252 252 H2 FUC 39 H2 FUC 39 11.346 -5.219 7.453 253 H3 FUC 39 H3 FUC 39 8.524 -6.355 7.706 254 H4 FUC 39 H4 FUC 39 9.289 -8.146 6.261 255 H5 FUC 39 H5 FUC 39 8.309 -6.164 5.172 256 H61 FUC 39 H61 FUC 39 9.127 -7.943 3.657 257 H62 FUC 39 H62 FUC 39 9.375 -6.324 2.929 258 H63 FUC 39 H63 FUC 39 10.756 -7.202 3.655 259 HO2 FUC 39 HO2 FUC 39 10.338 -3.499 8.655 260 HO4 FUC 39 HO4 FUC 39 11.735 -6.658 6.122 261 H1 NAG 40 H1 NAG 40 8.858 -8.783 8.594 262 H2 NAG 40 H2 NAG 40 10.470 -8.019 11.099 263 H3 NAG 40 H3 NAG 40 8.699 -10.476 10.589 264 H4 NAG 40 H4 NAG 40 8.206 -8.086 12.452 265 H5 NAG 40 H5 NAG 40 6.802 -8.830 9.814 266 H61 NAG 40 H61 NAG 40 5.146 -7.707 10.891 267 H62 NAG 40 H62 NAG 40 6.027 -6.334 10.181 268 H81 NAG 40 H81 NAG 40 14.375 -9.621 9.454 269 H82 NAG 40 H82 NAG 40 13.360 -11.021 9.909 270 H83 NAG 40 H83 NAG 40 13.220 -10.307 8.274 271 HN2 NAG 40 HN2 NAG 40 10.861 -10.477 9.508 272 HO3 NAG 40 HO3 NAG 40 10.335 -10.840 12.078 273 HO4 NAG 40 HO4 NAG 40 7.069 -9.712 13.250 274 HO6 NAG 40 HO6 NAG 40 6.009 -7.249 12.869 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 -5.547 12.878 -3.720 2 HA ASP 1 HA ASP 1 -5.054 13.242 -1.440 3 HB2 ASP 1 HB2 ASP 1 -6.975 14.578 -0.543 4 HB3 ASP 1 HB3 ASP 1 -6.477 15.040 -2.169 5 H VAL 2 H VAL 2 -5.728 10.487 -1.737 6 HA VAL 2 HA VAL 2 -6.927 10.025 0.899 7 HB VAL 2 HB VAL 2 -7.599 8.320 -1.500 8 HG11 VAL 2 HG11 VAL 2 -7.784 7.007 0.433 9 HG12 VAL 2 HG12 VAL 2 -9.427 7.562 0.114 10 HG13 VAL 2 HG13 VAL 2 -8.465 8.333 1.375 11 HG21 VAL 2 HG21 VAL 2 -8.530 10.677 -1.565 12 HG22 VAL 2 HG22 VAL 2 -9.459 10.247 -0.129 13 HG23 VAL 2 HG23 VAL 2 -9.710 9.368 -1.637 14 H ASN 3 H ASN 3 -6.073 8.317 2.041 15 HA ASN 3 HA ASN 3 -3.583 7.225 0.969 16 HB2 ASN 3 HB2 ASN 3 -4.726 7.384 3.756 17 HB3 ASN 3 HB3 ASN 3 -3.286 6.443 3.378 18 HD21 ASN 3 HD21 ASN 3 -2.152 7.807 4.835 19 HD22 ASN 3 HD22 ASN 3 -1.623 9.374 4.337 20 H GLU 4 H GLU 4 -3.094 4.993 1.057 21 HA GLU 4 HA GLU 4 -5.484 3.273 1.045 22 HB2 GLU 4 HB2 GLU 4 -3.205 3.518 -0.756 23 HB3 GLU 4 HB3 GLU 4 -3.464 1.860 -0.231 24 HG2 GLU 4 HG2 GLU 4 -5.513 1.711 -1.248 25 HG3 GLU 4 HG3 GLU 4 -5.787 3.451 -1.195 26 H CYS 5 H CYS 5 -2.354 3.778 2.440 27 HA CYS 5 HA CYS 5 -2.284 1.132 3.638 28 HB2 CYS 5 HB2 CYS 5 -0.236 2.409 2.765 29 HB3 CYS 5 HB3 CYS 5 -0.379 3.369 4.231 30 H ILE 6 H ILE 6 -4.178 1.283 4.925 31 HA ILE 6 HA ILE 6 -3.983 3.118 7.213 32 HB ILE 6 HB ILE 6 -6.414 1.572 6.376 33 HG12 ILE 6 HG12 ILE 6 -5.700 3.114 4.575 34 HG13 ILE 6 HG13 ILE 6 -7.230 3.597 5.302 35 HG21 ILE 6 HG21 ILE 6 -6.597 2.227 8.630 36 HG22 ILE 6 HG22 ILE 6 -7.536 3.406 7.713 37 HG23 ILE 6 HG23 ILE 6 -5.926 3.824 8.299 38 HD11 ILE 6 HD11 ILE 6 -6.413 5.568 5.900 39 HD12 ILE 6 HD12 ILE 6 -5.015 5.192 4.891 40 HD13 ILE 6 HD13 ILE 6 -4.977 4.839 6.619 41 H SER 7 H SER 7 -5.380 -0.096 6.630 42 HA SER 7 HA SER 7 -4.301 -0.946 9.225 43 HB2 SER 7 HB2 SER 7 -6.782 -0.996 8.992 44 HB3 SER 7 HB3 SER 7 -6.602 -2.158 7.677 45 HG SER 7 HG SER 7 -5.823 -3.648 9.098 46 H ASN 8 H ASN 8 -2.387 -1.030 7.462 47 HA ASN 8 HA ASN 8 -0.852 -2.341 6.416 48 HB2 ASN 8 HB2 ASN 8 -0.974 -3.645 8.478 49 HB3 ASN 8 HB3 ASN 8 -2.352 -4.539 7.853 50 HD21 ASN 8 HD21 ASN 8 -0.564 -6.122 8.637 51 HD22 ASN 8 HD22 ASN 8 0.423 -6.746 7.373 52 HA PRO 9 HA PRO 9 -3.713 -3.172 2.901 53 HB2 PRO 9 HB2 PRO 9 -1.841 -2.449 1.022 54 HB3 PRO 9 HB3 PRO 9 -2.983 -1.330 1.769 55 HG2 PRO 9 HG2 PRO 9 -0.113 -1.834 2.428 56 HG3 PRO 9 HG3 PRO 9 -1.000 -0.299 2.376 57 HD2 PRO 9 HD2 PRO 9 -0.425 -1.541 4.695 58 HD3 PRO 9 HD3 PRO 9 -1.926 -0.620 4.470 59 H CYS 10 H CYS 10 -0.277 -4.001 3.209 60 HA CYS 10 HA CYS 10 -0.177 -6.026 1.294 61 HB2 CYS 10 HB2 CYS 10 1.379 -6.101 3.876 62 HB3 CYS 10 HB3 CYS 10 1.851 -6.729 2.302 63 H GLN 11 H GLN 11 -0.290 -8.308 1.471 64 HA GLN 11 HA GLN 11 -1.974 -9.237 3.705 65 HB2 GLN 11 HB2 GLN 11 -2.208 -9.567 0.786 66 HB3 GLN 11 HB3 GLN 11 -2.483 -11.030 1.720 67 HG2 GLN 11 HG2 GLN 11 -3.929 -8.412 2.049 68 HG3 GLN 11 HG3 GLN 11 -4.563 -9.868 1.285 69 HE21 GLN 11 HE21 GLN 11 -4.157 -11.869 2.837 70 HE22 GLN 11 HE22 GLN 11 -4.766 -11.637 4.437 71 H ASN 12 H ASN 12 0.968 -9.276 3.525 72 HA ASN 12 HA ASN 12 1.299 -12.098 4.124 73 HB2 ASN 12 HB2 ASN 12 2.399 -10.813 1.723 74 HB3 ASN 12 HB3 ASN 12 3.584 -11.706 2.667 75 HD21 ASN 12 HD21 ASN 12 3.141 -12.576 0.241 76 HD22 ASN 12 HD22 ASN 12 2.215 -14.028 0.253 77 H ASP 13 H ASP 13 1.510 -9.277 5.369 78 HA ASP 13 HA ASP 13 2.661 -8.400 7.128 79 HB2 ASP 13 HB2 ASP 13 2.964 -10.905 7.688 80 HB3 ASP 13 HB3 ASP 13 4.585 -10.715 7.027 81 H ALA 14 H ALA 14 3.160 -7.135 4.995 82 HA ALA 14 HA ALA 14 6.053 -7.097 4.519 83 HB1 ALA 14 HB1 ALA 14 4.980 -5.408 2.663 84 HB2 ALA 14 HB2 ALA 14 3.700 -6.604 2.861 85 HB3 ALA 14 HB3 ALA 14 5.322 -7.118 2.403 86 H THR 15 H THR 15 6.980 -4.884 4.102 87 HA THR 15 HA THR 15 6.202 -3.138 6.295 88 HB THR 15 HB THR 15 8.585 -3.102 4.433 89 HG21 THR 15 HG21 THR 15 8.236 -1.435 6.906 90 HG22 THR 15 HG22 THR 15 7.984 -0.825 5.271 91 HG23 THR 15 HG23 THR 15 9.575 -1.408 5.759 92 H CYS 16 H CYS 16 5.222 -1.216 6.072 93 HA CYS 16 HA CYS 16 4.579 -0.340 3.347 94 HB2 CYS 16 HB2 CYS 16 2.658 -0.794 4.800 95 HB3 CYS 16 HB3 CYS 16 3.262 0.368 5.976 96 H LEU 17 H LEU 17 5.412 1.471 2.540 97 HA LEU 17 HA LEU 17 6.530 3.459 4.400 98 HB2 LEU 17 HB2 LEU 17 7.889 1.914 2.336 99 HB3 LEU 17 HB3 LEU 17 8.101 3.642 2.125 100 HG LEU 17 HG LEU 17 8.609 3.342 4.801 101 HD11 LEU 17 HD11 LEU 17 8.660 1.035 4.966 102 HD12 LEU 17 HD12 LEU 17 10.357 1.439 4.708 103 HD13 LEU 17 HD13 LEU 17 9.382 0.833 3.370 104 HD21 LEU 17 HD21 LEU 17 10.673 4.125 4.261 105 HD22 LEU 17 HD22 LEU 17 9.874 4.399 2.713 106 HD23 LEU 17 HD23 LEU 17 10.888 2.974 2.942 107 H ASP 18 H ASP 18 7.325 5.386 2.699 108 HA ASP 18 HA ASP 18 5.097 5.959 0.894 109 HB2 ASP 18 HB2 ASP 18 4.977 6.960 3.394 110 HB3 ASP 18 HB3 ASP 18 5.937 8.218 2.621 111 H GLN 19 H GLN 19 5.527 7.917 -0.451 112 HA GLN 19 HA GLN 19 8.363 8.568 -0.728 113 HB2 GLN 19 HB2 GLN 19 6.782 6.964 -2.602 114 HB3 GLN 19 HB3 GLN 19 7.590 8.330 -3.358 115 HG2 GLN 19 HG2 GLN 19 9.349 6.902 -1.561 116 HG3 GLN 19 HG3 GLN 19 8.681 5.851 -2.807 117 HE21 GLN 19 HE21 GLN 19 11.393 7.105 -2.275 118 HE22 GLN 19 HE22 GLN 19 11.834 7.801 -3.793 119 H ILE 20 H ILE 20 5.121 9.138 -2.058 120 HA ILE 20 HA ILE 20 5.563 12.010 -1.814 121 HB ILE 20 HB ILE 20 4.523 10.839 -4.388 122 HG12 ILE 20 HG12 ILE 20 7.264 12.000 -3.847 123 HG13 ILE 20 HG13 ILE 20 6.923 10.283 -4.031 124 HG21 ILE 20 HG21 ILE 20 5.611 13.575 -4.238 125 HG22 ILE 20 HG22 ILE 20 4.090 13.294 -3.389 126 HG23 ILE 20 HG23 ILE 20 4.213 12.952 -5.115 127 HD11 ILE 20 HD11 ILE 20 6.880 12.449 -6.083 128 HD12 ILE 20 HD12 ILE 20 5.951 10.969 -6.322 129 HD13 ILE 20 HD13 ILE 20 7.700 10.888 -6.116 130 H GLY 21 H GLY 21 3.159 9.865 -3.324 131 HA2 GLY 21 HA2 GLY 21 1.197 10.613 -1.308 132 HA3 GLY 21 HA3 GLY 21 0.854 11.140 -2.948 133 H GLU 22 H GLU 22 2.512 8.139 -2.364 134 HA GLU 22 HA GLU 22 0.033 6.664 -2.956 135 HB2 GLU 22 HB2 GLU 22 2.766 6.265 -4.176 136 HB3 GLU 22 HB3 GLU 22 1.469 5.085 -4.302 137 HG2 GLU 22 HG2 GLU 22 0.619 7.742 -5.090 138 HG3 GLU 22 HG3 GLU 22 1.984 7.160 -6.042 139 H PHE 23 H PHE 23 0.366 4.240 -2.530 140 HA PHE 23 HA PHE 23 1.601 3.994 0.106 141 HB2 PHE 23 HB2 PHE 23 0.203 2.030 0.408 142 HB3 PHE 23 HB3 PHE 23 -0.781 3.396 -0.110 143 HD1 PHE 23 HD1 PHE 23 -1.641 3.498 -2.408 144 HD2 PHE 23 HD2 PHE 23 0.431 0.090 -0.928 145 HE1 PHE 23 HE1 PHE 23 -2.528 2.155 -4.273 146 HE2 PHE 23 HE2 PHE 23 -0.450 -1.261 -2.790 147 HZ PHE 23 HZ PHE 23 -1.933 -0.227 -4.465 148 H GLN 24 H GLN 24 3.218 2.591 0.560 149 HA GLN 24 HA GLN 24 4.285 1.026 -1.698 150 HB2 GLN 24 HB2 GLN 24 5.725 2.915 -0.958 151 HB3 GLN 24 HB3 GLN 24 5.818 2.183 0.638 152 HG2 GLN 24 HG2 GLN 24 7.615 1.098 -0.054 153 HG3 GLN 24 HG3 GLN 24 6.567 0.158 -1.114 154 HE21 GLN 24 HE21 GLN 24 8.629 2.985 -0.912 155 HE22 GLN 24 HE22 GLN 24 8.948 3.108 -2.606 156 H CYS 25 H CYS 25 5.022 -1.064 -1.317 157 HA CYS 25 HA CYS 25 4.652 -2.181 1.362 158 HB2 CYS 25 HB2 CYS 25 2.521 -2.563 0.215 159 HB3 CYS 25 HB3 CYS 25 3.367 -3.317 -1.132 160 H ILE 26 H ILE 26 6.501 -3.140 1.859 161 HA ILE 26 HA ILE 26 8.263 -4.104 -0.247 162 HB ILE 26 HB ILE 26 8.767 -4.120 2.729 163 HG12 ILE 26 HG12 ILE 26 9.458 -1.999 0.681 164 HG13 ILE 26 HG13 ILE 26 8.277 -1.837 1.977 165 HG21 ILE 26 HG21 ILE 26 10.935 -3.869 0.730 166 HG22 ILE 26 HG22 ILE 26 10.141 -5.439 0.860 167 HG23 ILE 26 HG23 ILE 26 10.906 -4.718 2.276 168 HD11 ILE 26 HD11 ILE 26 11.209 -2.324 2.424 169 HD12 ILE 26 HD12 ILE 26 9.990 -1.930 3.636 170 HD13 ILE 26 HD13 ILE 26 10.450 -0.732 2.425 171 H CYS 27 H CYS 27 8.040 -6.110 -0.959 172 HA CYS 27 HA CYS 27 6.750 -8.138 0.651 173 HB2 CYS 27 HB2 CYS 27 7.226 -7.684 -2.150 174 HB3 CYS 27 HB3 CYS 27 7.775 -9.298 -1.710 175 H MET 28 H MET 28 7.753 -10.390 0.612 176 HA MET 28 HA MET 28 10.291 -10.241 1.924 177 HB2 MET 28 HB2 MET 28 8.160 -12.167 1.622 178 HB3 MET 28 HB3 MET 28 9.718 -12.939 1.365 179 HG2 MET 28 HG2 MET 28 10.289 -11.554 3.575 180 HG3 MET 28 HG3 MET 28 8.555 -11.767 3.811 181 HE1 MET 28 HE1 MET 28 11.526 -14.472 5.322 182 HE2 MET 28 HE2 MET 28 11.445 -12.723 5.106 183 HE3 MET 28 HE3 MET 28 12.098 -13.740 3.822 184 HA PRO 29 HA PRO 29 13.039 -11.306 -1.363 185 HB2 PRO 29 HB2 PRO 29 14.655 -13.204 -0.380 186 HB3 PRO 29 HB3 PRO 29 14.676 -11.551 0.238 187 HG2 PRO 29 HG2 PRO 29 13.350 -13.981 1.380 188 HG3 PRO 29 HG3 PRO 29 14.277 -12.717 2.212 189 HD2 PRO 29 HD2 PRO 29 11.551 -12.786 2.154 190 HD3 PRO 29 HD3 PRO 29 12.485 -11.283 2.289 191 H GLY 30 H GLY 30 11.239 -12.197 -2.665 192 HA2 GLY 30 HA2 GLY 30 11.345 -13.999 -4.360 193 HA3 GLY 30 HA3 GLY 30 11.537 -15.118 -3.018 194 H TYR 31 H TYR 31 9.309 -12.384 -3.199 195 HA TYR 31 HA TYR 31 7.088 -14.289 -2.914 196 HB2 TYR 31 HB2 TYR 31 7.613 -11.564 -1.847 197 HB3 TYR 31 HB3 TYR 31 5.945 -11.964 -2.238 198 HD1 TYR 31 HD1 TYR 31 8.491 -14.323 -0.938 199 HD2 TYR 31 HD2 TYR 31 5.026 -12.017 -0.059 200 HE1 TYR 31 HE1 TYR 31 8.270 -15.486 1.216 201 HE2 TYR 31 HE2 TYR 31 4.796 -13.173 2.099 202 HH TYR 31 HH TYR 31 7.252 -15.095 3.425 203 H GLU 32 H GLU 32 4.936 -12.948 -3.645 204 HA GLU 32 HA GLU 32 5.364 -11.648 -6.209 205 HB2 GLU 32 HB2 GLU 32 3.932 -14.287 -5.909 206 HB3 GLU 32 HB3 GLU 32 3.699 -13.229 -7.294 207 HG2 GLU 32 HG2 GLU 32 6.402 -14.237 -6.467 208 HG3 GLU 32 HG3 GLU 32 5.348 -15.123 -7.567 209 H GLY 33 H GLY 33 3.035 -11.256 -7.222 210 HA2 GLY 33 HA2 GLY 33 0.802 -10.597 -6.883 211 HA3 GLY 33 HA3 GLY 33 1.043 -10.747 -5.150 212 H VAL 34 H VAL 34 -0.284 -8.583 -5.992 213 HA VAL 34 HA VAL 34 1.577 -6.372 -6.316 214 HB VAL 34 HB VAL 34 -1.425 -6.230 -6.038 215 HG11 VAL 34 HG11 VAL 34 0.442 -4.286 -7.375 216 HG12 VAL 34 HG12 VAL 34 -0.029 -4.155 -5.680 217 HG13 VAL 34 HG13 VAL 34 -1.252 -4.051 -6.946 218 HG21 VAL 34 HG21 VAL 34 -1.597 -6.270 -8.421 219 HG22 VAL 34 HG22 VAL 34 -0.677 -7.690 -7.927 220 HG23 VAL 34 HG23 VAL 34 0.157 -6.291 -8.603 221 H TYR 35 H TYR 35 -0.910 -7.422 -3.998 222 HA TYR 35 HA TYR 35 0.103 -5.475 -2.058 223 HB2 TYR 35 HB2 TYR 35 -2.467 -6.903 -2.451 224 HB3 TYR 35 HB3 TYR 35 -1.986 -6.612 -0.784 225 HD1 TYR 35 HD1 TYR 35 -1.278 -4.387 -3.661 226 HD2 TYR 35 HD2 TYR 35 -3.620 -5.014 -0.165 227 HE1 TYR 35 HE1 TYR 35 -2.126 -2.087 -3.825 228 HE2 TYR 35 HE2 TYR 35 -4.474 -2.714 -0.319 229 HH TYR 35 HH TYR 35 -3.346 -0.410 -1.561 230 H CYS 36 H CYS 36 1.594 -7.888 -2.783 231 HA CYS 36 HA CYS 36 2.746 -9.602 -1.826 232 HB2 CYS 36 HB2 CYS 36 2.213 -7.791 0.517 233 HB3 CYS 36 HB3 CYS 36 3.122 -9.286 0.710 234 H GLU 37 H GLU 37 1.396 -11.323 -2.234 235 HA GLU 37 HA GLU 37 0.322 -12.671 0.014 236 HB2 GLU 37 HB2 GLU 37 -1.511 -11.105 -0.228 237 HB3 GLU 37 HB3 GLU 37 -1.657 -11.484 -1.937 238 HG2 GLU 37 HG2 GLU 37 -1.891 -13.926 -0.586 239 HG3 GLU 37 HG3 GLU 37 -2.856 -12.768 0.327 240 H ILE 38 H ILE 38 0.342 -12.331 -3.500 241 HA ILE 38 HA ILE 38 -0.030 -15.193 -3.868 242 HB ILE 38 HB ILE 38 0.517 -13.130 -5.997 243 HG12 ILE 38 HG12 ILE 38 -1.478 -12.522 -4.652 244 HG13 ILE 38 HG13 ILE 38 -1.887 -12.951 -6.310 245 HG21 ILE 38 HG21 ILE 38 -0.176 -15.996 -5.965 246 HG22 ILE 38 HG22 ILE 38 0.748 -15.062 -7.142 247 HG23 ILE 38 HG23 ILE 38 -1.016 -15.005 -7.159 248 HD11 ILE 38 HD11 ILE 38 -2.858 -14.057 -3.875 249 HD12 ILE 38 HD12 ILE 38 -2.039 -15.317 -4.798 250 HD13 ILE 38 HD13 ILE 38 -3.356 -14.402 -5.531 251 H1 FUC 39 H1 FUC 39 10.611 -3.155 5.978 252 H2 FUC 39 H2 FUC 39 11.728 -4.929 7.252 253 H3 FUC 39 H3 FUC 39 8.906 -5.915 7.860 254 H4 FUC 39 H4 FUC 39 9.491 -7.877 6.568 255 H5 FUC 39 H5 FUC 39 8.477 -5.991 5.350 256 H61 FUC 39 H61 FUC 39 10.760 -7.235 3.730 257 H62 FUC 39 H62 FUC 39 9.321 -6.415 3.059 258 H63 FUC 39 H63 FUC 39 9.135 -7.948 3.968 259 HO2 FUC 39 HO2 FUC 39 10.816 -4.310 9.302 260 HO4 FUC 39 HO4 FUC 39 11.511 -7.903 5.435 261 H1 NAG 40 H1 NAG 40 9.114 -8.098 9.139 262 H2 NAG 40 H2 NAG 40 11.178 -7.210 11.236 263 H3 NAG 40 H3 NAG 40 9.062 -9.429 11.402 264 H4 NAG 40 H4 NAG 40 9.161 -6.738 12.876 265 H5 NAG 40 H5 NAG 40 7.281 -7.660 10.616 266 H61 NAG 40 H61 NAG 40 7.573 -4.856 11.712 267 H62 NAG 40 H62 NAG 40 6.307 -5.518 10.653 268 H81 NAG 40 H81 NAG 40 12.929 -10.729 9.263 269 H82 NAG 40 H82 NAG 40 14.359 -9.686 9.523 270 H83 NAG 40 H83 NAG 40 13.902 -10.900 10.755 271 HN2 NAG 40 HN2 NAG 40 11.086 -9.569 9.511 272 HO3 NAG 40 HO3 NAG 40 11.102 -9.516 12.647 273 HO4 NAG 40 HO4 NAG 40 8.092 -8.471 13.934 274 HO6 NAG 40 HO6 NAG 40 5.577 -5.375 12.831 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 -13.152 2.153 5.937 2 HA ASP 1 HA ASP 1 -11.712 3.986 6.406 3 HB2 ASP 1 HB2 ASP 1 -10.777 1.809 8.281 4 HB3 ASP 1 HB3 ASP 1 -10.848 3.539 8.599 5 H VAL 2 H VAL 2 -10.566 2.447 4.227 6 HA VAL 2 HA VAL 2 -7.730 2.983 4.784 7 HB VAL 2 HB VAL 2 -8.676 0.642 3.129 8 HG11 VAL 2 HG11 VAL 2 -6.265 -0.051 3.469 9 HG12 VAL 2 HG12 VAL 2 -5.976 1.586 4.058 10 HG13 VAL 2 HG13 VAL 2 -6.536 1.329 2.406 11 HG21 VAL 2 HG21 VAL 2 -7.477 -0.515 5.233 12 HG22 VAL 2 HG22 VAL 2 -9.213 -0.223 5.149 13 HG23 VAL 2 HG23 VAL 2 -8.173 0.897 6.028 14 H ASN 3 H ASN 3 -6.565 3.870 3.111 15 HA ASN 3 HA ASN 3 -8.012 4.383 0.602 16 HB2 ASN 3 HB2 ASN 3 -6.658 6.338 2.423 17 HB3 ASN 3 HB3 ASN 3 -6.680 6.646 0.689 18 HD21 ASN 3 HD21 ASN 3 -7.885 8.553 1.514 19 HD22 ASN 3 HD22 ASN 3 -9.599 8.406 1.676 20 H GLU 4 H GLU 4 -4.853 4.392 2.220 21 HA GLU 4 HA GLU 4 -3.672 3.296 -0.223 22 HB2 GLU 4 HB2 GLU 4 -2.708 5.728 1.268 23 HB3 GLU 4 HB3 GLU 4 -1.650 4.794 0.219 24 HG2 GLU 4 HG2 GLU 4 -2.361 6.454 -1.192 25 HG3 GLU 4 HG3 GLU 4 -3.510 5.166 -1.552 26 H CYS 5 H CYS 5 -2.534 4.396 2.960 27 HA CYS 5 HA CYS 5 -1.736 1.651 3.585 28 HB2 CYS 5 HB2 CYS 5 0.252 2.740 2.668 29 HB3 CYS 5 HB3 CYS 5 0.075 4.043 3.833 30 H ILE 6 H ILE 6 -3.464 1.598 5.060 31 HA ILE 6 HA ILE 6 -3.124 3.327 7.418 32 HB ILE 6 HB ILE 6 -5.669 1.952 6.629 33 HG12 ILE 6 HG12 ILE 6 -5.067 3.557 4.883 34 HG13 ILE 6 HG13 ILE 6 -6.445 4.140 5.811 35 HG21 ILE 6 HG21 ILE 6 -6.716 3.303 8.267 36 HG22 ILE 6 HG22 ILE 6 -5.270 4.291 8.470 37 HG23 ILE 6 HG23 ILE 6 -5.279 2.617 9.023 38 HD11 ILE 6 HD11 ILE 6 -5.314 6.051 5.934 39 HD12 ILE 6 HD12 ILE 6 -3.793 5.287 5.472 40 HD13 ILE 6 HD13 ILE 6 -4.331 5.237 7.151 41 H SER 7 H SER 7 -4.707 0.228 6.701 42 HA SER 7 HA SER 7 -3.519 -0.850 9.160 43 HB2 SER 7 HB2 SER 7 -6.117 -0.739 8.687 44 HB3 SER 7 HB3 SER 7 -5.790 -2.210 7.770 45 HG SER 7 HG SER 7 -5.059 -1.796 10.482 46 H ASN 8 H ASN 8 -1.706 -0.875 7.285 47 HA ASN 8 HA ASN 8 -0.318 -2.136 5.995 48 HB2 ASN 8 HB2 ASN 8 -0.223 -3.474 8.047 49 HB3 ASN 8 HB3 ASN 8 -1.639 -4.382 7.536 50 HD21 ASN 8 HD21 ASN 8 0.228 -5.955 8.104 51 HD22 ASN 8 HD22 ASN 8 1.107 -6.530 6.740 52 HA PRO 9 HA PRO 9 -3.562 -2.846 2.789 53 HB2 PRO 9 HB2 PRO 9 -1.236 -2.126 1.111 54 HB3 PRO 9 HB3 PRO 9 -2.887 -1.511 1.062 55 HG2 PRO 9 HG2 PRO 9 -0.888 -0.036 2.038 56 HG3 PRO 9 HG3 PRO 9 -2.507 0.007 2.754 57 HD2 PRO 9 HD2 PRO 9 -0.041 -1.366 3.728 58 HD3 PRO 9 HD3 PRO 9 -1.312 -0.539 4.653 59 H CYS 10 H CYS 10 -0.282 -4.013 3.148 60 HA CYS 10 HA CYS 10 -0.243 -5.925 1.106 61 HB2 CYS 10 HB2 CYS 10 1.113 -6.262 3.779 62 HB3 CYS 10 HB3 CYS 10 1.626 -6.895 2.220 63 H GLN 11 H GLN 11 -0.088 -8.361 1.615 64 HA GLN 11 HA GLN 11 -2.173 -9.174 3.511 65 HB2 GLN 11 HB2 GLN 11 -2.272 -9.338 0.602 66 HB3 GLN 11 HB3 GLN 11 -2.510 -10.901 1.368 67 HG2 GLN 11 HG2 GLN 11 -4.099 -8.398 1.876 68 HG3 GLN 11 HG3 GLN 11 -4.631 -9.823 0.985 69 HE21 GLN 11 HE21 GLN 11 -6.283 -9.182 2.856 70 HE22 GLN 11 HE22 GLN 11 -6.126 -10.162 4.270 71 H ASN 12 H ASN 12 0.771 -9.338 3.530 72 HA ASN 12 HA ASN 12 0.953 -12.176 4.120 73 HB2 ASN 12 HB2 ASN 12 2.275 -10.905 1.824 74 HB3 ASN 12 HB3 ASN 12 3.355 -11.845 2.845 75 HD21 ASN 12 HD21 ASN 12 3.136 -12.722 0.426 76 HD22 ASN 12 HD22 ASN 12 2.142 -14.123 0.328 77 H ASP 13 H ASP 13 1.121 -9.426 5.451 78 HA ASP 13 HA ASP 13 2.148 -8.625 7.323 79 HB2 ASP 13 HB2 ASP 13 2.728 -11.329 7.426 80 HB3 ASP 13 HB3 ASP 13 4.317 -10.579 7.525 81 H ALA 14 H ALA 14 2.812 -7.649 4.849 82 HA ALA 14 HA ALA 14 5.704 -7.410 4.710 83 HB1 ALA 14 HB1 ALA 14 3.470 -7.021 2.898 84 HB2 ALA 14 HB2 ALA 14 5.164 -7.366 2.548 85 HB3 ALA 14 HB3 ALA 14 4.640 -5.703 2.817 86 H THR 15 H THR 15 6.552 -5.124 4.265 87 HA THR 15 HA THR 15 5.551 -3.389 6.404 88 HB THR 15 HB THR 15 8.190 -3.380 4.927 89 HG21 THR 15 HG21 THR 15 7.560 -1.126 5.716 90 HG22 THR 15 HG22 THR 15 8.986 -1.781 6.519 91 HG23 THR 15 HG23 THR 15 7.432 -1.773 7.352 92 H CYS 16 H CYS 16 5.337 -1.116 6.069 93 HA CYS 16 HA CYS 16 4.592 -0.458 3.305 94 HB2 CYS 16 HB2 CYS 16 2.974 -0.273 5.356 95 HB3 CYS 16 HB3 CYS 16 3.843 1.225 5.671 96 H LEU 17 H LEU 17 5.736 0.979 2.182 97 HA LEU 17 HA LEU 17 7.598 2.731 3.649 98 HB2 LEU 17 HB2 LEU 17 8.501 0.764 2.182 99 HB3 LEU 17 HB3 LEU 17 8.122 1.833 0.843 100 HG LEU 17 HG LEU 17 9.553 3.532 2.355 101 HD11 LEU 17 HD11 LEU 17 11.074 2.598 3.732 102 HD12 LEU 17 HD12 LEU 17 11.234 1.144 2.747 103 HD13 LEU 17 HD13 LEU 17 9.866 1.317 3.846 104 HD21 LEU 17 HD21 LEU 17 10.208 1.657 0.167 105 HD22 LEU 17 HD22 LEU 17 11.568 2.430 0.981 106 HD23 LEU 17 HD23 LEU 17 10.315 3.416 0.227 107 H ASP 18 H ASP 18 5.919 4.342 3.655 108 HA ASP 18 HA ASP 18 4.638 5.338 1.386 109 HB2 ASP 18 HB2 ASP 18 4.448 7.465 2.781 110 HB3 ASP 18 HB3 ASP 18 3.788 5.999 3.492 111 H GLN 19 H GLN 19 5.307 6.526 -0.284 112 HA GLN 19 HA GLN 19 7.993 7.711 -0.146 113 HB2 GLN 19 HB2 GLN 19 6.408 6.501 -2.375 114 HB3 GLN 19 HB3 GLN 19 7.632 7.707 -2.745 115 HG2 GLN 19 HG2 GLN 19 8.734 5.784 -0.952 116 HG3 GLN 19 HG3 GLN 19 7.974 4.949 -2.305 117 HE21 GLN 19 HE21 GLN 19 10.080 4.282 -2.941 118 HE22 GLN 19 HE22 GLN 19 11.123 5.360 -3.797 119 H ILE 20 H ILE 20 4.793 8.287 -1.580 120 HA ILE 20 HA ILE 20 5.134 11.139 -1.048 121 HB ILE 20 HB ILE 20 4.197 10.120 -3.728 122 HG12 ILE 20 HG12 ILE 20 6.440 11.530 -4.270 123 HG13 ILE 20 HG13 ILE 20 6.873 10.857 -2.701 124 HG21 ILE 20 HG21 ILE 20 3.572 12.471 -2.528 125 HG22 ILE 20 HG22 ILE 20 3.660 12.232 -4.273 126 HG23 ILE 20 HG23 ILE 20 5.037 12.912 -3.405 127 HD11 ILE 20 HD11 ILE 20 6.277 9.438 -5.260 128 HD12 ILE 20 HD12 ILE 20 6.130 8.610 -3.710 129 HD13 ILE 20 HD13 ILE 20 7.680 9.295 -4.201 130 H GLY 21 H GLY 21 2.724 9.310 -2.907 131 HA2 GLY 21 HA2 GLY 21 0.740 9.986 -0.831 132 HA3 GLY 21 HA3 GLY 21 0.407 10.288 -2.527 133 H GLU 22 H GLU 22 1.943 7.660 -3.076 134 HA GLU 22 HA GLU 22 -0.424 5.987 -2.868 135 HB2 GLU 22 HB2 GLU 22 0.871 4.431 -4.329 136 HB3 GLU 22 HB3 GLU 22 0.635 6.029 -5.021 137 HG2 GLU 22 HG2 GLU 22 2.814 6.216 -5.322 138 HG3 GLU 22 HG3 GLU 22 3.063 6.090 -3.582 139 H PHE 23 H PHE 23 0.257 3.512 -2.606 140 HA PHE 23 HA PHE 23 1.698 3.360 -0.052 141 HB2 PHE 23 HB2 PHE 23 0.348 1.393 0.457 142 HB3 PHE 23 HB3 PHE 23 -0.683 2.772 0.088 143 HD1 PHE 23 HD1 PHE 23 0.523 -0.476 -1.070 144 HD2 PHE 23 HD2 PHE 23 -2.035 2.821 -1.893 145 HE1 PHE 23 HE1 PHE 23 -0.633 -1.810 -2.787 146 HE2 PHE 23 HE2 PHE 23 -3.199 1.496 -3.613 147 HZ PHE 23 HZ PHE 23 -2.496 -0.824 -4.062 148 H GLN 24 H GLN 24 3.425 2.056 0.149 149 HA GLN 24 HA GLN 24 4.094 0.336 -2.149 150 HB2 GLN 24 HB2 GLN 24 5.894 1.920 -0.314 151 HB3 GLN 24 HB3 GLN 24 6.490 0.681 -1.410 152 HG2 GLN 24 HG2 GLN 24 4.841 2.964 -2.419 153 HG3 GLN 24 HG3 GLN 24 6.575 3.137 -2.151 154 HE21 GLN 24 HE21 GLN 24 7.676 0.910 -3.007 155 HE22 GLN 24 HE22 GLN 24 7.324 0.608 -4.671 156 H CYS 25 H CYS 25 3.788 -1.729 -1.650 157 HA CYS 25 HA CYS 25 4.022 -2.628 1.107 158 HB2 CYS 25 HB2 CYS 25 2.730 -3.617 -1.350 159 HB3 CYS 25 HB3 CYS 25 3.424 -4.872 -0.331 160 H ILE 26 H ILE 26 5.838 -3.442 1.893 161 HA ILE 26 HA ILE 26 7.985 -4.207 0.082 162 HB ILE 26 HB ILE 26 8.051 -4.157 3.098 163 HG12 ILE 26 HG12 ILE 26 8.923 -1.971 1.197 164 HG13 ILE 26 HG13 ILE 26 7.409 -1.949 2.096 165 HG21 ILE 26 HG21 ILE 26 10.401 -4.189 2.900 166 HG22 ILE 26 HG22 ILE 26 10.337 -3.866 1.168 167 HG23 ILE 26 HG23 ILE 26 9.811 -5.428 1.793 168 HD11 ILE 26 HD11 ILE 26 9.900 -0.985 2.911 169 HD12 ILE 26 HD12 ILE 26 9.600 -2.430 3.878 170 HD13 ILE 26 HD13 ILE 26 8.425 -1.113 3.871 171 H CYS 27 H CYS 27 7.561 -6.198 -0.738 172 HA CYS 27 HA CYS 27 6.575 -8.339 0.913 173 HB2 CYS 27 HB2 CYS 27 6.985 -7.852 -1.931 174 HB3 CYS 27 HB3 CYS 27 7.466 -9.478 -1.457 175 H MET 28 H MET 28 7.700 -10.457 0.975 176 HA MET 28 HA MET 28 10.218 -10.225 2.182 177 HB2 MET 28 HB2 MET 28 8.319 -12.316 1.610 178 HB3 MET 28 HB3 MET 28 9.948 -12.886 1.281 179 HG2 MET 28 HG2 MET 28 10.361 -11.724 3.656 180 HG3 MET 28 HG3 MET 28 8.665 -12.168 3.836 181 HE1 MET 28 HE1 MET 28 11.611 -12.923 5.079 182 HE2 MET 28 HE2 MET 28 12.418 -13.702 3.719 183 HE3 MET 28 HE3 MET 28 11.894 -14.664 5.101 184 HA PRO 29 HA PRO 29 13.125 -10.585 -1.124 185 HB2 PRO 29 HB2 PRO 29 14.954 -12.350 -0.289 186 HB3 PRO 29 HB3 PRO 29 14.745 -10.786 0.502 187 HG2 PRO 29 HG2 PRO 29 13.729 -13.477 1.334 188 HG3 PRO 29 HG3 PRO 29 14.464 -12.204 2.326 189 HD2 PRO 29 HD2 PRO 29 11.770 -12.619 2.161 190 HD3 PRO 29 HD3 PRO 29 12.495 -11.036 2.501 191 H GLY 30 H GLY 30 11.262 -11.655 -2.370 192 HA2 GLY 30 HA2 GLY 30 11.704 -13.223 -4.304 193 HA3 GLY 30 HA3 GLY 30 11.989 -14.433 -3.062 194 H TYR 31 H TYR 31 9.471 -11.948 -3.126 195 HA TYR 31 HA TYR 31 7.472 -14.103 -3.059 196 HB2 TYR 31 HB2 TYR 31 7.660 -11.434 -1.760 197 HB3 TYR 31 HB3 TYR 31 6.059 -11.995 -2.223 198 HD1 TYR 31 HD1 TYR 31 8.928 -13.999 -0.965 199 HD2 TYR 31 HD2 TYR 31 5.038 -12.471 -0.171 200 HE1 TYR 31 HE1 TYR 31 8.820 -15.355 1.084 201 HE2 TYR 31 HE2 TYR 31 4.919 -13.822 1.880 202 HH TYR 31 HH TYR 31 6.072 -16.051 2.685 203 H GLU 32 H GLU 32 5.200 -12.937 -3.749 204 HA GLU 32 HA GLU 32 5.563 -11.397 -6.191 205 HB2 GLU 32 HB2 GLU 32 4.374 -14.168 -6.129 206 HB3 GLU 32 HB3 GLU 32 4.080 -13.034 -7.441 207 HG2 GLU 32 HG2 GLU 32 6.781 -12.969 -7.310 208 HG3 GLU 32 HG3 GLU 32 6.459 -14.632 -6.819 209 H GLY 33 H GLY 33 3.294 -11.021 -7.223 210 HA2 GLY 33 HA2 GLY 33 0.935 -10.761 -6.838 211 HA3 GLY 33 HA3 GLY 33 1.258 -10.775 -5.110 212 H VAL 34 H VAL 34 -0.336 -8.828 -6.153 213 HA VAL 34 HA VAL 34 1.284 -6.449 -6.581 214 HB VAL 34 HB VAL 34 -1.723 -6.613 -6.372 215 HG11 VAL 34 HG11 VAL 34 -1.382 -4.382 -6.310 216 HG12 VAL 34 HG12 VAL 34 -1.198 -4.578 -8.052 217 HG13 VAL 34 HG13 VAL 34 0.230 -4.500 -7.019 218 HG21 VAL 34 HG21 VAL 34 0.033 -6.862 -8.813 219 HG22 VAL 34 HG22 VAL 34 -1.719 -6.660 -8.842 220 HG23 VAL 34 HG23 VAL 34 -1.011 -8.110 -8.132 221 H TYR 35 H TYR 35 -1.115 -7.644 -4.247 222 HA TYR 35 HA TYR 35 -0.352 -5.489 -2.408 223 HB2 TYR 35 HB2 TYR 35 -2.806 -7.059 -2.862 224 HB3 TYR 35 HB3 TYR 35 -2.415 -6.775 -1.169 225 HD1 TYR 35 HD1 TYR 35 -1.652 -4.223 -0.710 226 HD2 TYR 35 HD2 TYR 35 -4.191 -5.522 -3.867 227 HE1 TYR 35 HE1 TYR 35 -2.606 -1.961 -0.866 228 HE2 TYR 35 HE2 TYR 35 -5.152 -3.265 -4.033 229 HH TYR 35 HH TYR 35 -5.422 -1.255 -2.418 230 H CYS 36 H CYS 36 1.306 -7.862 -2.951 231 HA CYS 36 HA CYS 36 2.554 -9.406 -1.844 232 HB2 CYS 36 HB2 CYS 36 1.846 -7.402 0.244 233 HB3 CYS 36 HB3 CYS 36 2.589 -8.907 0.773 234 H GLU 37 H GLU 37 1.343 -11.237 -2.243 235 HA GLU 37 HA GLU 37 0.263 -12.556 0.025 236 HB2 GLU 37 HB2 GLU 37 -1.662 -11.135 -0.415 237 HB3 GLU 37 HB3 GLU 37 -1.692 -11.648 -2.095 238 HG2 GLU 37 HG2 GLU 37 -2.508 -13.751 -1.576 239 HG3 GLU 37 HG3 GLU 37 -1.963 -13.658 0.099 240 H ILE 38 H ILE 38 0.394 -12.402 -3.507 241 HA ILE 38 HA ILE 38 0.299 -15.303 -3.713 242 HB ILE 38 HB ILE 38 0.722 -13.326 -5.950 243 HG12 ILE 38 HG12 ILE 38 -1.344 -12.741 -4.806 244 HG13 ILE 38 HG13 ILE 38 -1.719 -13.508 -6.345 245 HG21 ILE 38 HG21 ILE 38 0.468 -15.048 -7.389 246 HG22 ILE 38 HG22 ILE 38 -0.685 -15.888 -6.353 247 HG23 ILE 38 HG23 ILE 38 1.042 -15.989 -6.011 248 HD11 ILE 38 HD11 ILE 38 -2.139 -14.495 -3.578 249 HD12 ILE 38 HD12 ILE 38 -1.843 -15.670 -4.860 250 HD13 ILE 38 HD13 ILE 38 -3.208 -14.558 -4.979 251 H1 FUC 39 H1 FUC 39 9.947 -3.498 6.844 252 H2 FUC 39 H2 FUC 39 10.840 -5.404 8.103 253 H3 FUC 39 H3 FUC 39 7.965 -6.428 8.104 254 H4 FUC 39 H4 FUC 39 8.787 -8.246 6.728 255 H5 FUC 39 H5 FUC 39 7.977 -6.229 5.568 256 H61 FUC 39 H61 FUC 39 8.884 -8.038 4.121 257 H62 FUC 39 H62 FUC 39 9.201 -6.421 3.420 258 H63 FUC 39 H63 FUC 39 10.515 -7.312 4.238 259 HO2 FUC 39 HO2 FUC 39 8.401 -4.365 9.197 260 HO4 FUC 39 HO4 FUC 39 10.974 -8.157 5.966 261 H1 NAG 40 H1 NAG 40 7.988 -8.751 9.153 262 H2 NAG 40 H2 NAG 40 9.624 -8.087 11.668 263 H3 NAG 40 H3 NAG 40 7.563 -10.318 11.220 264 H4 NAG 40 H4 NAG 40 7.343 -7.799 12.960 265 H5 NAG 40 H5 NAG 40 5.914 -8.480 10.319 266 H61 NAG 40 H61 NAG 40 5.087 -6.185 10.395 267 H62 NAG 40 H62 NAG 40 4.521 -7.140 11.783 268 H81 NAG 40 H81 NAG 40 12.212 -10.677 9.078 269 H82 NAG 40 H82 NAG 40 13.319 -10.417 10.458 270 H83 NAG 40 H83 NAG 40 12.018 -11.639 10.574 271 HN2 NAG 40 HN2 NAG 40 9.733 -10.547 10.014 272 HO3 NAG 40 HO3 NAG 40 9.175 -9.495 13.391 273 HO4 NAG 40 HO4 NAG 40 5.257 -9.552 12.179 274 HO6 NAG 40 HO6 NAG 40 5.403 -5.635 12.987 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 -12.467 6.592 0.961 2 HA ASP 1 HA ASP 1 -12.916 7.542 -1.140 3 HB2 ASP 1 HB2 ASP 1 -11.512 9.815 0.160 4 HB3 ASP 1 HB3 ASP 1 -11.409 9.717 -1.595 5 H VAL 2 H VAL 2 -9.687 7.601 0.285 6 HA VAL 2 HA VAL 2 -8.686 6.237 -2.124 7 HB VAL 2 HB VAL 2 -7.074 8.218 -0.515 8 HG11 VAL 2 HG11 VAL 2 -6.329 7.491 -3.271 9 HG12 VAL 2 HG12 VAL 2 -6.165 6.211 -2.070 10 HG13 VAL 2 HG13 VAL 2 -5.318 7.742 -1.848 11 HG21 VAL 2 HG21 VAL 2 -7.443 9.856 -2.160 12 HG22 VAL 2 HG22 VAL 2 -9.038 9.186 -1.819 13 HG23 VAL 2 HG23 VAL 2 -8.168 8.695 -3.273 14 H ASN 3 H ASN 3 -7.662 4.377 -1.740 15 HA ASN 3 HA ASN 3 -6.992 3.728 1.050 16 HB2 ASN 3 HB2 ASN 3 -8.696 2.330 -0.270 17 HB3 ASN 3 HB3 ASN 3 -7.313 1.724 -1.176 18 HD21 ASN 3 HD21 ASN 3 -7.857 -0.360 -0.376 19 HD22 ASN 3 HD22 ASN 3 -7.396 -0.833 1.220 20 H GLU 4 H GLU 4 -4.912 3.738 1.556 21 HA GLU 4 HA GLU 4 -2.957 2.919 -0.479 22 HB2 GLU 4 HB2 GLU 4 -1.459 4.654 0.908 23 HB3 GLU 4 HB3 GLU 4 -2.376 5.114 -0.518 24 HG2 GLU 4 HG2 GLU 4 -3.854 6.351 0.659 25 HG3 GLU 4 HG3 GLU 4 -3.787 5.296 2.069 26 H CYS 5 H CYS 5 -2.546 3.983 2.871 27 HA CYS 5 HA CYS 5 -1.906 1.249 3.674 28 HB2 CYS 5 HB2 CYS 5 0.104 3.053 3.023 29 HB3 CYS 5 HB3 CYS 5 0.016 3.141 4.778 30 H ILE 6 H ILE 6 -3.954 1.533 4.772 31 HA ILE 6 HA ILE 6 -3.807 3.270 7.137 32 HB ILE 6 HB ILE 6 -6.281 1.959 6.067 33 HG12 ILE 6 HG12 ILE 6 -5.304 3.461 4.359 34 HG13 ILE 6 HG13 ILE 6 -6.837 4.067 4.981 35 HG21 ILE 6 HG21 ILE 6 -6.944 2.608 8.118 36 HG22 ILE 6 HG22 ILE 6 -7.091 4.187 7.344 37 HG23 ILE 6 HG23 ILE 6 -5.647 3.793 8.277 38 HD11 ILE 6 HD11 ILE 6 -5.276 5.395 6.618 39 HD12 ILE 6 HD12 ILE 6 -5.591 5.975 4.982 40 HD13 ILE 6 HD13 ILE 6 -4.087 5.127 5.342 41 H SER 7 H SER 7 -5.382 0.196 6.307 42 HA SER 7 HA SER 7 -4.633 -0.808 8.962 43 HB2 SER 7 HB2 SER 7 -7.106 -0.648 8.240 44 HB3 SER 7 HB3 SER 7 -6.750 -2.033 7.207 45 HG SER 7 HG SER 7 -7.160 -3.130 8.954 46 H ASN 8 H ASN 8 -2.558 -0.950 7.377 47 HA ASN 8 HA ASN 8 -1.023 -2.302 6.378 48 HB2 ASN 8 HB2 ASN 8 -1.290 -3.539 8.479 49 HB3 ASN 8 HB3 ASN 8 -2.627 -4.445 7.788 50 HD21 ASN 8 HD21 ASN 8 -0.899 -6.013 8.723 51 HD22 ASN 8 HD22 ASN 8 0.167 -6.669 7.540 52 HA PRO 9 HA PRO 9 -3.726 -3.198 2.759 53 HB2 PRO 9 HB2 PRO 9 -1.751 -2.582 0.949 54 HB3 PRO 9 HB3 PRO 9 -2.900 -1.412 1.602 55 HG2 PRO 9 HG2 PRO 9 -0.076 -1.957 2.410 56 HG3 PRO 9 HG3 PRO 9 -0.922 -0.406 2.268 57 HD2 PRO 9 HD2 PRO 9 -0.483 -1.583 4.651 58 HD3 PRO 9 HD3 PRO 9 -1.948 -0.633 4.327 59 H CYS 10 H CYS 10 -0.323 -4.088 3.248 60 HA CYS 10 HA CYS 10 -0.195 -6.181 1.408 61 HB2 CYS 10 HB2 CYS 10 1.268 -6.138 4.049 62 HB3 CYS 10 HB3 CYS 10 1.772 -6.906 2.548 63 H GLN 11 H GLN 11 -0.235 -8.481 1.738 64 HA GLN 11 HA GLN 11 -2.054 -9.302 3.905 65 HB2 GLN 11 HB2 GLN 11 -2.170 -9.744 0.995 66 HB3 GLN 11 HB3 GLN 11 -2.484 -11.171 1.971 67 HG2 GLN 11 HG2 GLN 11 -3.906 -8.561 2.391 68 HG3 GLN 11 HG3 GLN 11 -4.491 -9.810 1.293 69 HE21 GLN 11 HE21 GLN 11 -5.843 -11.238 2.106 70 HE22 GLN 11 HE22 GLN 11 -6.047 -11.610 3.781 71 H ASN 12 H ASN 12 0.917 -9.357 3.775 72 HA ASN 12 HA ASN 12 1.213 -12.142 4.547 73 HB2 ASN 12 HB2 ASN 12 2.368 -11.001 2.099 74 HB3 ASN 12 HB3 ASN 12 3.522 -11.859 3.111 75 HD21 ASN 12 HD21 ASN 12 3.155 -12.877 0.753 76 HD22 ASN 12 HD22 ASN 12 2.189 -14.299 0.810 77 H ASP 13 H ASP 13 1.433 -9.245 5.621 78 HA ASP 13 HA ASP 13 2.561 -8.287 7.354 79 HB2 ASP 13 HB2 ASP 13 2.984 -10.909 7.828 80 HB3 ASP 13 HB3 ASP 13 4.642 -10.395 7.533 81 H ALA 14 H ALA 14 3.082 -7.141 5.154 82 HA ALA 14 HA ALA 14 5.967 -7.154 4.657 83 HB1 ALA 14 HB1 ALA 14 4.712 -5.406 2.862 84 HB2 ALA 14 HB2 ALA 14 3.642 -6.798 3.014 85 HB3 ALA 14 HB3 ALA 14 5.322 -7.029 2.536 86 H THR 15 H THR 15 6.975 -4.994 4.240 87 HA THR 15 HA THR 15 6.263 -3.190 6.409 88 HB THR 15 HB THR 15 8.651 -3.284 4.557 89 HG21 THR 15 HG21 THR 15 8.379 -1.553 6.995 90 HG22 THR 15 HG22 THR 15 8.126 -0.965 5.352 91 HG23 THR 15 HG23 THR 15 9.702 -1.596 5.830 92 H CYS 16 H CYS 16 5.495 -1.158 6.170 93 HA CYS 16 HA CYS 16 4.783 -0.333 3.443 94 HB2 CYS 16 HB2 CYS 16 2.907 -0.574 5.001 95 HB3 CYS 16 HB3 CYS 16 3.664 0.568 6.106 96 H LEU 17 H LEU 17 5.386 1.617 2.613 97 HA LEU 17 HA LEU 17 6.878 3.468 4.319 98 HB2 LEU 17 HB2 LEU 17 8.167 1.696 2.635 99 HB3 LEU 17 HB3 LEU 17 8.091 3.166 1.682 100 HG LEU 17 HG LEU 17 10.189 3.008 2.930 101 HD11 LEU 17 HD11 LEU 17 8.679 5.199 2.612 102 HD12 LEU 17 HD12 LEU 17 10.272 5.220 3.370 103 HD13 LEU 17 HD13 LEU 17 8.819 5.188 4.370 104 HD21 LEU 17 HD21 LEU 17 10.354 2.598 5.144 105 HD22 LEU 17 HD22 LEU 17 8.775 1.852 4.903 106 HD23 LEU 17 HD23 LEU 17 8.887 3.496 5.530 107 H ASP 18 H ASP 18 6.575 5.581 3.830 108 HA ASP 18 HA ASP 18 4.707 6.160 1.650 109 HB2 ASP 18 HB2 ASP 18 4.644 6.942 4.256 110 HB3 ASP 18 HB3 ASP 18 5.439 8.328 3.515 111 H GLN 19 H GLN 19 5.284 7.281 -0.106 112 HA GLN 19 HA GLN 19 7.967 8.496 -0.134 113 HB2 GLN 19 HB2 GLN 19 6.398 7.080 -2.273 114 HB3 GLN 19 HB3 GLN 19 7.720 8.165 -2.679 115 HG2 GLN 19 HG2 GLN 19 9.319 6.773 -1.805 116 HG3 GLN 19 HG3 GLN 19 8.189 5.991 -0.702 117 HE21 GLN 19 HE21 GLN 19 9.910 4.493 -2.187 118 HE22 GLN 19 HE22 GLN 19 9.040 3.620 -3.398 119 H ILE 20 H ILE 20 5.229 8.798 -2.357 120 HA ILE 20 HA ILE 20 5.327 11.708 -1.949 121 HB ILE 20 HB ILE 20 4.324 10.296 -4.414 122 HG12 ILE 20 HG12 ILE 20 6.739 9.869 -4.057 123 HG13 ILE 20 HG13 ILE 20 6.438 10.868 -5.475 124 HG21 ILE 20 HG21 ILE 20 5.206 13.153 -4.162 125 HG22 ILE 20 HG22 ILE 20 3.550 12.654 -3.815 126 HG23 ILE 20 HG23 ILE 20 4.227 12.406 -5.425 127 HD11 ILE 20 HD11 ILE 20 8.343 11.457 -3.790 128 HD12 ILE 20 HD12 ILE 20 7.025 12.197 -2.881 129 HD13 ILE 20 HD13 ILE 20 7.367 12.729 -4.527 130 H GLY 21 H GLY 21 3.000 9.358 -3.259 131 HA2 GLY 21 HA2 GLY 21 1.030 10.096 -1.269 132 HA3 GLY 21 HA3 GLY 21 0.658 10.643 -2.896 133 H GLU 22 H GLU 22 2.373 7.662 -2.339 134 HA GLU 22 HA GLU 22 -0.076 6.154 -2.972 135 HB2 GLU 22 HB2 GLU 22 2.678 5.544 -4.058 136 HB3 GLU 22 HB3 GLU 22 1.185 4.699 -4.442 137 HG2 GLU 22 HG2 GLU 22 0.312 6.716 -5.504 138 HG3 GLU 22 HG3 GLU 22 1.808 7.565 -5.117 139 H PHE 23 H PHE 23 0.450 3.681 -2.657 140 HA PHE 23 HA PHE 23 1.619 3.445 0.021 141 HB2 PHE 23 HB2 PHE 23 0.217 1.494 0.332 142 HB3 PHE 23 HB3 PHE 23 -0.771 2.850 -0.202 143 HD1 PHE 23 HD1 PHE 23 -1.504 2.955 -2.584 144 HD2 PHE 23 HD2 PHE 23 0.341 -0.490 -0.906 145 HE1 PHE 23 HE1 PHE 23 -2.377 1.591 -4.440 146 HE2 PHE 23 HE2 PHE 23 -0.525 -1.864 -2.758 147 HZ PHE 23 HZ PHE 23 -1.886 -0.823 -4.528 148 H GLN 24 H GLN 24 3.481 2.405 0.254 149 HA GLN 24 HA GLN 24 4.387 0.659 -1.933 150 HB2 GLN 24 HB2 GLN 24 5.668 2.808 -0.913 151 HB3 GLN 24 HB3 GLN 24 6.321 1.548 0.124 152 HG2 GLN 24 HG2 GLN 24 6.320 0.856 -2.712 153 HG3 GLN 24 HG3 GLN 24 7.304 2.264 -2.315 154 HE21 GLN 24 HE21 GLN 24 9.088 0.907 -2.984 155 HE22 GLN 24 HE22 GLN 24 9.777 -0.205 -1.857 156 H CYS 25 H CYS 25 4.282 -1.445 -1.556 157 HA CYS 25 HA CYS 25 4.415 -2.390 1.229 158 HB2 CYS 25 HB2 CYS 25 2.299 -2.905 0.112 159 HB3 CYS 25 HB3 CYS 25 3.168 -3.705 -1.192 160 H ILE 26 H ILE 26 6.322 -3.207 1.762 161 HA ILE 26 HA ILE 26 8.082 -4.295 -0.286 162 HB ILE 26 HB ILE 26 8.637 -4.027 2.668 163 HG12 ILE 26 HG12 ILE 26 9.246 -2.080 0.431 164 HG13 ILE 26 HG13 ILE 26 8.055 -1.837 1.704 165 HG21 ILE 26 HG21 ILE 26 10.445 -4.347 0.277 166 HG22 ILE 26 HG22 ILE 26 10.131 -5.547 1.530 167 HG23 ILE 26 HG23 ILE 26 10.991 -4.059 1.929 168 HD11 ILE 26 HD11 ILE 26 9.870 -0.605 2.425 169 HD12 ILE 26 HD12 ILE 26 11.035 -1.813 1.883 170 HD13 ILE 26 HD13 ILE 26 10.045 -2.120 3.311 171 H CYS 27 H CYS 27 7.426 -6.306 -0.856 172 HA CYS 27 HA CYS 27 6.526 -8.216 1.107 173 HB2 CYS 27 HB2 CYS 27 5.825 -7.945 -1.415 174 HB3 CYS 27 HB3 CYS 27 7.221 -8.979 -1.703 175 H MET 28 H MET 28 7.485 -10.438 1.143 176 HA MET 28 HA MET 28 10.148 -10.339 2.001 177 HB2 MET 28 HB2 MET 28 8.056 -12.310 1.799 178 HB3 MET 28 HB3 MET 28 9.589 -13.013 1.303 179 HG2 MET 28 HG2 MET 28 10.379 -11.763 3.534 180 HG3 MET 28 HG3 MET 28 8.695 -12.076 3.950 181 HE1 MET 28 HE1 MET 28 12.245 -14.691 3.807 182 HE2 MET 28 HE2 MET 28 11.714 -13.974 5.327 183 HE3 MET 28 HE3 MET 28 12.019 -12.945 3.928 184 HA PRO 29 HA PRO 29 12.555 -11.080 -1.626 185 HB2 PRO 29 HB2 PRO 29 14.427 -12.830 -0.874 186 HB3 PRO 29 HB3 PRO 29 14.355 -11.205 -0.187 187 HG2 PRO 29 HG2 PRO 29 13.383 -13.791 0.969 188 HG3 PRO 29 HG3 PRO 29 14.267 -12.474 1.763 189 HD2 PRO 29 HD2 PRO 29 11.557 -12.809 1.947 190 HD3 PRO 29 HD3 PRO 29 12.366 -11.235 2.095 191 H GLY 30 H GLY 30 11.562 -12.035 -3.317 192 HA2 GLY 30 HA2 GLY 30 11.497 -13.864 -4.831 193 HA3 GLY 30 HA3 GLY 30 11.685 -14.961 -3.471 194 H TYR 31 H TYR 31 9.391 -12.351 -3.332 195 HA TYR 31 HA TYR 31 7.223 -14.330 -3.359 196 HB2 TYR 31 HB2 TYR 31 7.657 -11.735 -1.972 197 HB3 TYR 31 HB3 TYR 31 6.004 -12.140 -2.420 198 HD1 TYR 31 HD1 TYR 31 8.966 -13.747 -0.796 199 HD2 TYR 31 HD2 TYR 31 4.737 -13.287 -0.870 200 HE1 TYR 31 HE1 TYR 31 8.781 -15.168 1.203 201 HE2 TYR 31 HE2 TYR 31 4.542 -14.705 1.128 202 HH TYR 31 HH TYR 31 6.165 -16.665 2.161 203 H GLU 32 H GLU 32 5.034 -12.966 -3.943 204 HA GLU 32 HA GLU 32 5.465 -11.406 -6.368 205 HB2 GLU 32 HB2 GLU 32 3.992 -14.036 -6.287 206 HB3 GLU 32 HB3 GLU 32 3.756 -12.855 -7.567 207 HG2 GLU 32 HG2 GLU 32 6.490 -13.865 -6.901 208 HG3 GLU 32 HG3 GLU 32 5.407 -14.788 -7.942 209 H GLY 33 H GLY 33 3.119 -10.913 -7.322 210 HA2 GLY 33 HA2 GLY 33 0.894 -10.265 -6.888 211 HA3 GLY 33 HA3 GLY 33 1.178 -10.518 -5.173 212 H VAL 34 H VAL 34 -0.139 -8.278 -6.004 213 HA VAL 34 HA VAL 34 1.772 -6.089 -6.128 214 HB VAL 34 HB VAL 34 -1.240 -5.919 -6.002 215 HG11 VAL 34 HG11 VAL 34 -0.264 -3.830 -5.437 216 HG12 VAL 34 HG12 VAL 34 -0.792 -3.707 -7.115 217 HG13 VAL 34 HG13 VAL 34 0.914 -3.951 -6.744 218 HG21 VAL 34 HG21 VAL 34 -1.358 -5.978 -8.324 219 HG22 VAL 34 HG22 VAL 34 -0.194 -7.248 -7.951 220 HG23 VAL 34 HG23 VAL 34 0.369 -5.677 -8.518 221 H TYR 35 H TYR 35 -0.685 -7.381 -3.936 222 HA TYR 35 HA TYR 35 0.137 -5.452 -1.887 223 HB2 TYR 35 HB2 TYR 35 -2.307 -7.124 -2.315 224 HB3 TYR 35 HB3 TYR 35 -1.894 -6.621 -0.679 225 HD1 TYR 35 HD1 TYR 35 -2.984 -5.491 -3.991 226 HD2 TYR 35 HD2 TYR 35 -2.041 -4.286 -0.023 227 HE1 TYR 35 HE1 TYR 35 -4.048 -3.315 -4.406 228 HE2 TYR 35 HE2 TYR 35 -3.104 -2.106 -0.427 229 HH TYR 35 HH TYR 35 -4.962 -1.237 -2.056 230 H CYS 36 H CYS 36 1.783 -7.741 -2.687 231 HA CYS 36 HA CYS 36 2.966 -9.477 -1.795 232 HB2 CYS 36 HB2 CYS 36 3.655 -7.580 -0.340 233 HB3 CYS 36 HB3 CYS 36 2.390 -8.031 0.798 234 H GLU 37 H GLU 37 1.444 -11.110 -2.282 235 HA GLU 37 HA GLU 37 0.476 -12.499 0.045 236 HB2 GLU 37 HB2 GLU 37 -1.405 -11.017 -0.307 237 HB3 GLU 37 HB3 GLU 37 -1.473 -11.443 -2.010 238 HG2 GLU 37 HG2 GLU 37 -2.079 -13.734 -1.412 239 HG3 GLU 37 HG3 GLU 37 -2.012 -13.302 0.296 240 H ILE 38 H ILE 38 0.453 -12.296 -3.496 241 HA ILE 38 HA ILE 38 0.317 -15.194 -3.718 242 HB ILE 38 HB ILE 38 0.398 -13.026 -5.820 243 HG12 ILE 38 HG12 ILE 38 -1.917 -13.813 -6.274 244 HG13 ILE 38 HG13 ILE 38 -1.782 -14.918 -4.909 245 HG21 ILE 38 HG21 ILE 38 -0.369 -15.196 -7.198 246 HG22 ILE 38 HG22 ILE 38 0.726 -15.953 -6.039 247 HG23 ILE 38 HG23 ILE 38 1.309 -14.662 -7.090 248 HD11 ILE 38 HD11 ILE 38 -2.975 -12.650 -4.608 249 HD12 ILE 38 HD12 ILE 38 -1.340 -11.995 -4.514 250 HD13 ILE 38 HD13 ILE 38 -1.868 -13.218 -3.359 251 H1 FUC 39 H1 FUC 39 10.652 -3.298 6.220 252 H2 FUC 39 H2 FUC 39 11.707 -5.094 7.516 253 H3 FUC 39 H3 FUC 39 8.859 -6.087 7.975 254 H4 FUC 39 H4 FUC 39 9.502 -8.028 6.668 255 H5 FUC 39 H5 FUC 39 8.547 -6.114 5.446 256 H61 FUC 39 H61 FUC 39 9.522 -6.499 3.188 257 H62 FUC 39 H62 FUC 39 9.250 -8.042 4.059 258 H63 FUC 39 H63 FUC 39 10.900 -7.360 3.937 259 HO2 FUC 39 HO2 FUC 39 9.427 -3.937 8.814 260 HO4 FUC 39 HO4 FUC 39 11.774 -7.942 7.167 261 H1 NAG 40 H1 NAG 40 9.032 -8.324 9.208 262 H2 NAG 40 H2 NAG 40 10.946 -7.425 11.441 263 H3 NAG 40 H3 NAG 40 8.874 -9.691 11.444 264 H4 NAG 40 H4 NAG 40 8.823 -7.021 12.958 265 H5 NAG 40 H5 NAG 40 7.106 -7.952 10.576 266 H61 NAG 40 H61 NAG 40 6.345 -5.588 10.533 267 H62 NAG 40 H62 NAG 40 5.818 -6.502 11.964 268 H81 NAG 40 H81 NAG 40 12.960 -10.371 8.720 269 H82 NAG 40 H82 NAG 40 13.486 -10.881 10.352 270 H83 NAG 40 H83 NAG 40 14.409 -9.632 9.465 271 HN2 NAG 40 HN2 NAG 40 10.895 -10.084 10.144 272 HO3 NAG 40 HO3 NAG 40 10.302 -8.547 13.624 273 HO4 NAG 40 HO4 NAG 40 7.604 -8.389 14.073 274 HO6 NAG 40 HO6 NAG 40 8.156 -4.856 11.952 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 -5.661 14.461 -0.367 2 HA ASP 1 HA ASP 1 -4.001 13.678 1.791 3 HB2 ASP 1 HB2 ASP 1 -5.772 13.896 3.584 4 HB3 ASP 1 HB3 ASP 1 -5.037 15.410 3.066 5 H VAL 2 H VAL 2 -4.029 11.696 0.770 6 HA VAL 2 HA VAL 2 -6.402 10.086 1.267 7 HB VAL 2 HB VAL 2 -5.139 10.098 -1.474 8 HG11 VAL 2 HG11 VAL 2 -6.516 8.397 -2.018 9 HG12 VAL 2 HG12 VAL 2 -7.834 8.999 -1.013 10 HG13 VAL 2 HG13 VAL 2 -6.504 8.103 -0.279 11 HG21 VAL 2 HG21 VAL 2 -6.301 12.212 -1.094 12 HG22 VAL 2 HG22 VAL 2 -7.747 11.336 -0.596 13 HG23 VAL 2 HG23 VAL 2 -7.170 11.213 -2.258 14 H ASN 3 H ASN 3 -5.285 8.863 2.742 15 HA ASN 3 HA ASN 3 -2.773 7.615 1.939 16 HB2 ASN 3 HB2 ASN 3 -4.242 7.903 4.538 17 HB3 ASN 3 HB3 ASN 3 -3.008 6.660 4.362 18 HD21 ASN 3 HD21 ASN 3 -2.786 8.706 6.194 19 HD22 ASN 3 HD22 ASN 3 -1.482 9.741 5.732 20 H GLU 4 H GLU 4 -2.477 5.424 1.704 21 HA GLU 4 HA GLU 4 -4.947 3.833 1.502 22 HB2 GLU 4 HB2 GLU 4 -2.329 3.626 0.014 23 HB3 GLU 4 HB3 GLU 4 -3.576 2.387 -0.056 24 HG2 GLU 4 HG2 GLU 4 -4.077 5.254 -0.794 25 HG3 GLU 4 HG3 GLU 4 -3.540 4.038 -1.952 26 H CYS 5 H CYS 5 -1.841 4.059 3.002 27 HA CYS 5 HA CYS 5 -1.892 1.305 3.926 28 HB2 CYS 5 HB2 CYS 5 0.228 2.490 3.232 29 HB3 CYS 5 HB3 CYS 5 0.064 3.455 4.691 30 H ILE 6 H ILE 6 -3.763 1.323 5.219 31 HA ILE 6 HA ILE 6 -3.574 2.930 7.675 32 HB ILE 6 HB ILE 6 -6.044 1.583 6.634 33 HG12 ILE 6 HG12 ILE 6 -5.232 3.271 5.017 34 HG13 ILE 6 HG13 ILE 6 -6.754 3.745 5.766 35 HG21 ILE 6 HG21 ILE 6 -6.615 2.020 8.771 36 HG22 ILE 6 HG22 ILE 6 -6.892 3.644 8.139 37 HG23 ILE 6 HG23 ILE 6 -5.377 3.262 8.957 38 HD11 ILE 6 HD11 ILE 6 -4.355 5.200 5.623 39 HD12 ILE 6 HD12 ILE 6 -4.598 4.775 7.317 40 HD13 ILE 6 HD13 ILE 6 -5.856 5.645 6.438 41 H SER 7 H SER 7 -5.065 -0.147 6.715 42 HA SER 7 HA SER 7 -4.130 -1.300 9.247 43 HB2 SER 7 HB2 SER 7 -6.627 -1.234 8.716 44 HB3 SER 7 HB3 SER 7 -6.292 -2.444 7.478 45 HG SER 7 HG SER 7 -6.626 -3.735 9.129 46 H ASN 8 H ASN 8 -2.111 -1.240 7.607 47 HA ASN 8 HA ASN 8 -0.535 -2.465 6.522 48 HB2 ASN 8 HB2 ASN 8 -0.809 -3.984 8.413 49 HB3 ASN 8 HB3 ASN 8 -2.163 -4.768 7.613 50 HD21 ASN 8 HD21 ASN 8 -0.464 -6.477 8.319 51 HD22 ASN 8 HD22 ASN 8 0.589 -6.985 7.056 52 HA PRO 9 HA PRO 9 -3.030 -2.758 2.688 53 HB2 PRO 9 HB2 PRO 9 -0.796 -2.416 1.086 54 HB3 PRO 9 HB3 PRO 9 -1.830 -1.112 1.676 55 HG2 PRO 9 HG2 PRO 9 0.787 -2.086 2.731 56 HG3 PRO 9 HG3 PRO 9 0.174 -0.427 2.602 57 HD2 PRO 9 HD2 PRO 9 0.206 -1.740 4.942 58 HD3 PRO 9 HD3 PRO 9 -1.107 -0.619 4.524 59 H CYS 10 H CYS 10 0.210 -4.187 3.107 60 HA CYS 10 HA CYS 10 -0.094 -6.241 1.226 61 HB2 CYS 10 HB2 CYS 10 1.684 -5.832 3.602 62 HB3 CYS 10 HB3 CYS 10 1.676 -7.391 2.783 63 H GLN 11 H GLN 11 -0.277 -8.569 1.666 64 HA GLN 11 HA GLN 11 -2.091 -9.127 3.919 65 HB2 GLN 11 HB2 GLN 11 -2.404 -9.609 1.036 66 HB3 GLN 11 HB3 GLN 11 -2.789 -10.993 2.046 67 HG2 GLN 11 HG2 GLN 11 -3.948 -8.266 2.519 68 HG3 GLN 11 HG3 GLN 11 -4.694 -9.450 1.448 69 HE21 GLN 11 HE21 GLN 11 -6.446 -10.117 2.489 70 HE22 GLN 11 HE22 GLN 11 -6.485 -10.724 4.105 71 H ASN 12 H ASN 12 0.740 -9.461 3.959 72 HA ASN 12 HA ASN 12 0.832 -12.311 4.530 73 HB2 ASN 12 HB2 ASN 12 2.456 -10.962 2.418 74 HB3 ASN 12 HB3 ASN 12 3.192 -12.260 3.345 75 HD21 ASN 12 HD21 ASN 12 2.886 -12.500 0.685 76 HD22 ASN 12 HD22 ASN 12 1.698 -13.695 0.342 77 H ASP 13 H ASP 13 1.070 -9.536 5.866 78 HA ASP 13 HA ASP 13 2.092 -8.746 7.743 79 HB2 ASP 13 HB2 ASP 13 2.154 -11.251 8.319 80 HB3 ASP 13 HB3 ASP 13 3.833 -11.207 7.791 81 H ALA 14 H ALA 14 2.914 -7.733 5.440 82 HA ALA 14 HA ALA 14 5.839 -7.773 5.427 83 HB1 ALA 14 HB1 ALA 14 5.358 -6.328 3.296 84 HB2 ALA 14 HB2 ALA 14 3.751 -7.041 3.434 85 HB3 ALA 14 HB3 ALA 14 5.163 -8.081 3.255 86 H THR 15 H THR 15 6.768 -5.517 4.753 87 HA THR 15 HA THR 15 5.936 -3.663 6.836 88 HB THR 15 HB THR 15 8.322 -3.661 4.977 89 HG21 THR 15 HG21 THR 15 7.501 -1.722 7.095 90 HG22 THR 15 HG22 THR 15 8.147 -1.414 5.483 91 HG23 THR 15 HG23 THR 15 9.205 -2.023 6.757 92 H CYS 16 H CYS 16 5.654 -1.385 6.406 93 HA CYS 16 HA CYS 16 4.829 -0.774 3.650 94 HB2 CYS 16 HB2 CYS 16 2.834 -1.258 5.037 95 HB3 CYS 16 HB3 CYS 16 3.313 0.022 6.145 96 H LEU 17 H LEU 17 5.588 1.098 2.877 97 HA LEU 17 HA LEU 17 6.823 2.969 4.791 98 HB2 LEU 17 HB2 LEU 17 7.983 1.613 2.634 99 HB3 LEU 17 HB3 LEU 17 7.775 3.261 2.074 100 HG LEU 17 HG LEU 17 9.990 2.917 3.051 101 HD11 LEU 17 HD11 LEU 17 8.498 5.064 3.348 102 HD12 LEU 17 HD12 LEU 17 10.071 4.928 4.131 103 HD13 LEU 17 HD13 LEU 17 8.599 4.621 5.052 104 HD21 LEU 17 HD21 LEU 17 8.380 1.808 5.265 105 HD22 LEU 17 HD22 LEU 17 9.784 2.773 5.719 106 HD23 LEU 17 HD23 LEU 17 9.984 1.357 4.688 107 H ASP 18 H ASP 18 6.684 5.214 4.338 108 HA ASP 18 HA ASP 18 4.180 5.957 3.106 109 HB2 ASP 18 HB2 ASP 18 5.128 6.927 5.273 110 HB3 ASP 18 HB3 ASP 18 6.233 7.844 4.253 111 H GLN 19 H GLN 19 3.904 6.747 1.122 112 HA GLN 19 HA GLN 19 6.165 7.975 -0.273 113 HB2 GLN 19 HB2 GLN 19 4.848 5.438 -0.981 114 HB3 GLN 19 HB3 GLN 19 5.010 6.574 -2.313 115 HG2 GLN 19 HG2 GLN 19 7.479 6.744 -1.472 116 HG3 GLN 19 HG3 GLN 19 7.117 5.180 -0.744 117 HE21 GLN 19 HE21 GLN 19 5.667 3.862 -2.486 118 HE22 GLN 19 HE22 GLN 19 6.473 3.681 -4.003 119 H ILE 20 H ILE 20 5.466 9.103 -2.282 120 HA ILE 20 HA ILE 20 2.905 10.421 -1.798 121 HB ILE 20 HB ILE 20 5.026 11.225 -3.784 122 HG12 ILE 20 HG12 ILE 20 5.279 13.022 -1.777 123 HG13 ILE 20 HG13 ILE 20 4.866 11.584 -0.849 124 HG21 ILE 20 HG21 ILE 20 3.018 12.297 -4.333 125 HG22 ILE 20 HG22 ILE 20 3.907 13.484 -3.380 126 HG23 ILE 20 HG23 ILE 20 2.596 12.564 -2.642 127 HD11 ILE 20 HD11 ILE 20 6.897 10.735 -1.106 128 HD12 ILE 20 HD12 ILE 20 7.373 12.316 -1.728 129 HD13 ILE 20 HD13 ILE 20 6.888 11.039 -2.844 130 H GLY 21 H GLY 21 1.191 10.256 -3.123 131 HA2 GLY 21 HA2 GLY 21 0.007 9.862 -5.093 132 HA3 GLY 21 HA3 GLY 21 1.499 9.336 -5.856 133 H GLU 22 H GLU 22 2.381 7.266 -4.499 134 HA GLU 22 HA GLU 22 0.117 5.389 -4.328 135 HB2 GLU 22 HB2 GLU 22 2.844 4.833 -5.509 136 HB3 GLU 22 HB3 GLU 22 1.538 3.667 -5.346 137 HG2 GLU 22 HG2 GLU 22 0.325 5.679 -6.728 138 HG3 GLU 22 HG3 GLU 22 1.971 5.741 -7.355 139 H PHE 23 H PHE 23 0.636 3.393 -3.097 140 HA PHE 23 HA PHE 23 2.081 4.111 -0.678 141 HB2 PHE 23 HB2 PHE 23 1.053 2.034 0.242 142 HB3 PHE 23 HB3 PHE 23 -0.122 3.205 -0.351 143 HD1 PHE 23 HD1 PHE 23 1.778 0.209 -1.470 144 HD2 PHE 23 HD2 PHE 23 -1.796 2.498 -1.751 145 HE1 PHE 23 HE1 PHE 23 0.788 -1.526 -2.911 146 HE2 PHE 23 HE2 PHE 23 -2.796 0.769 -3.192 147 HZ PHE 23 HZ PHE 23 -1.503 -1.246 -3.774 148 H GLN 24 H GLN 24 3.563 2.615 0.344 149 HA GLN 24 HA GLN 24 4.976 0.897 -1.590 150 HB2 GLN 24 HB2 GLN 24 6.015 3.188 -0.635 151 HB3 GLN 24 HB3 GLN 24 6.519 2.092 0.644 152 HG2 GLN 24 HG2 GLN 24 7.136 0.762 -1.721 153 HG3 GLN 24 HG3 GLN 24 7.584 2.443 -2.008 154 HE21 GLN 24 HE21 GLN 24 8.925 3.462 -0.311 155 HE22 GLN 24 HE22 GLN 24 10.127 2.492 0.463 156 H CYS 25 H CYS 25 5.201 -1.159 -0.999 157 HA CYS 25 HA CYS 25 5.074 -1.833 1.860 158 HB2 CYS 25 HB2 CYS 25 2.917 -2.243 0.400 159 HB3 CYS 25 HB3 CYS 25 3.809 -3.662 -0.140 160 H ILE 26 H ILE 26 6.967 -2.705 2.366 161 HA ILE 26 HA ILE 26 8.513 -4.143 0.362 162 HB ILE 26 HB ILE 26 9.284 -3.610 3.229 163 HG12 ILE 26 HG12 ILE 26 9.971 -1.936 0.805 164 HG13 ILE 26 HG13 ILE 26 8.718 -1.513 1.968 165 HG21 ILE 26 HG21 ILE 26 11.336 -4.398 2.722 166 HG22 ILE 26 HG22 ILE 26 11.287 -3.776 1.072 167 HG23 ILE 26 HG23 ILE 26 10.452 -5.278 1.474 168 HD11 ILE 26 HD11 ILE 26 10.385 -1.381 3.732 169 HD12 ILE 26 HD12 ILE 26 10.788 -0.308 2.392 170 HD13 ILE 26 HD13 ILE 26 11.645 -1.837 2.585 171 H CYS 27 H CYS 27 7.579 -6.124 0.075 172 HA CYS 27 HA CYS 27 6.901 -7.755 2.386 173 HB2 CYS 27 HB2 CYS 27 6.038 -9.357 0.731 174 HB3 CYS 27 HB3 CYS 27 5.373 -7.747 0.477 175 H MET 28 H MET 28 7.467 -10.266 1.729 176 HA MET 28 HA MET 28 10.153 -10.586 2.408 177 HB2 MET 28 HB2 MET 28 7.897 -12.263 1.943 178 HB3 MET 28 HB3 MET 28 9.257 -12.929 1.049 179 HG2 MET 28 HG2 MET 28 10.408 -12.367 3.446 180 HG3 MET 28 HG3 MET 28 8.771 -12.802 3.930 181 HE1 MET 28 HE1 MET 28 11.693 -15.124 4.503 182 HE2 MET 28 HE2 MET 28 11.991 -13.638 3.600 183 HE3 MET 28 HE3 MET 28 12.239 -15.205 2.827 184 HA PRO 29 HA PRO 29 12.262 -10.534 -1.481 185 HB2 PRO 29 HB2 PRO 29 14.337 -12.136 -1.057 186 HB3 PRO 29 HB3 PRO 29 14.122 -10.666 -0.102 187 HG2 PRO 29 HG2 PRO 29 13.541 -13.504 0.634 188 HG3 PRO 29 HG3 PRO 29 14.243 -12.211 1.622 189 HD2 PRO 29 HD2 PRO 29 11.578 -13.002 1.671 190 HD3 PRO 29 HD3 PRO 29 12.193 -11.444 2.253 191 H GLY 30 H GLY 30 10.884 -11.427 -3.029 192 HA2 GLY 30 HA2 GLY 30 11.138 -13.089 -4.827 193 HA3 GLY 30 HA3 GLY 30 11.323 -14.300 -3.568 194 H TYR 31 H TYR 31 8.954 -11.711 -3.464 195 HA TYR 31 HA TYR 31 6.841 -13.739 -3.494 196 HB2 TYR 31 HB2 TYR 31 7.109 -11.010 -2.315 197 HB3 TYR 31 HB3 TYR 31 5.500 -11.582 -2.737 198 HD1 TYR 31 HD1 TYR 31 8.157 -13.843 -1.562 199 HD2 TYR 31 HD2 TYR 31 4.690 -11.631 -0.469 200 HE1 TYR 31 HE1 TYR 31 8.046 -15.077 0.561 201 HE2 TYR 31 HE2 TYR 31 4.570 -12.861 1.657 202 HH TYR 31 HH TYR 31 5.977 -14.134 3.130 203 H GLU 32 H GLU 32 4.649 -12.541 -4.298 204 HA GLU 32 HA GLU 32 5.116 -11.044 -6.744 205 HB2 GLU 32 HB2 GLU 32 4.325 -13.898 -6.676 206 HB3 GLU 32 HB3 GLU 32 3.438 -12.872 -7.793 207 HG2 GLU 32 HG2 GLU 32 5.081 -13.201 -9.238 208 HG3 GLU 32 HG3 GLU 32 6.087 -12.185 -8.206 209 H GLY 33 H GLY 33 2.738 -11.030 -7.919 210 HA2 GLY 33 HA2 GLY 33 0.436 -10.629 -7.656 211 HA3 GLY 33 HA3 GLY 33 0.648 -10.690 -5.912 212 H VAL 34 H VAL 34 -0.816 -8.758 -6.175 213 HA VAL 34 HA VAL 34 0.527 -6.326 -7.042 214 HB VAL 34 HB VAL 34 -2.220 -6.582 -5.817 215 HG11 VAL 34 HG11 VAL 34 -2.647 -4.428 -6.728 216 HG12 VAL 34 HG12 VAL 34 -1.130 -4.439 -7.627 217 HG13 VAL 34 HG13 VAL 34 -1.110 -4.329 -5.868 218 HG21 VAL 34 HG21 VAL 34 -1.242 -7.184 -8.532 219 HG22 VAL 34 HG22 VAL 34 -2.707 -6.206 -8.438 220 HG23 VAL 34 HG23 VAL 34 -2.656 -7.794 -7.672 221 H TYR 35 H TYR 35 -1.021 -7.557 -4.079 222 HA TYR 35 HA TYR 35 0.389 -5.509 -2.530 223 HB2 TYR 35 HB2 TYR 35 -2.090 -7.089 -2.147 224 HB3 TYR 35 HB3 TYR 35 -1.150 -6.766 -0.695 225 HD1 TYR 35 HD1 TYR 35 -0.140 -4.092 -1.062 226 HD2 TYR 35 HD2 TYR 35 -3.928 -5.688 -2.157 227 HE1 TYR 35 HE1 TYR 35 -1.121 -1.841 -0.928 228 HE2 TYR 35 HE2 TYR 35 -4.920 -3.442 -2.028 229 HH TYR 35 HH TYR 35 -3.312 -0.802 -0.608 230 H CYS 36 H CYS 36 1.702 -7.883 -3.689 231 HA CYS 36 HA CYS 36 3.196 -9.504 -3.123 232 HB2 CYS 36 HB2 CYS 36 3.324 -7.560 -0.865 233 HB3 CYS 36 HB3 CYS 36 4.162 -9.097 -0.678 234 H GLU 37 H GLU 37 0.405 -10.011 -2.618 235 HA GLU 37 HA GLU 37 0.477 -11.710 -0.230 236 HB2 GLU 37 HB2 GLU 37 -1.917 -11.713 -0.300 237 HB3 GLU 37 HB3 GLU 37 -1.376 -10.055 -0.507 238 HG2 GLU 37 HG2 GLU 37 -2.412 -9.876 -2.453 239 HG3 GLU 37 HG3 GLU 37 -1.668 -11.355 -3.059 240 H ILE 38 H ILE 38 1.830 -12.402 -2.732 241 HA ILE 38 HA ILE 38 0.458 -14.953 -3.227 242 HB ILE 38 HB ILE 38 1.840 -13.401 -5.411 243 HG12 ILE 38 HG12 ILE 38 -0.150 -12.169 -4.682 244 HG13 ILE 38 HG13 ILE 38 -0.401 -12.877 -6.275 245 HG21 ILE 38 HG21 ILE 38 0.182 -15.102 -6.655 246 HG22 ILE 38 HG22 ILE 38 0.515 -16.029 -5.193 247 HG23 ILE 38 HG23 ILE 38 1.844 -15.508 -6.228 248 HD11 ILE 38 HD11 ILE 38 -1.292 -14.735 -4.323 249 HD12 ILE 38 HD12 ILE 38 -2.228 -13.875 -5.546 250 HD13 ILE 38 HD13 ILE 38 -1.982 -13.154 -3.954 251 H1 FUC 39 H1 FUC 39 10.337 -3.727 6.290 252 H2 FUC 39 H2 FUC 39 11.556 -5.204 7.806 253 H3 FUC 39 H3 FUC 39 8.801 -6.058 8.802 254 H4 FUC 39 H4 FUC 39 9.322 -8.240 7.871 255 H5 FUC 39 H5 FUC 39 8.192 -6.630 6.399 256 H61 FUC 39 H61 FUC 39 8.804 -8.833 5.401 257 H62 FUC 39 H62 FUC 39 10.372 -8.153 4.880 258 H63 FUC 39 H63 FUC 39 8.846 -7.524 4.183 259 HO2 FUC 39 HO2 FUC 39 9.419 -3.785 9.085 260 HO4 FUC 39 HO4 FUC 39 11.723 -6.990 6.926 261 H1 NAG 40 H1 NAG 40 9.162 -7.985 10.446 262 H2 NAG 40 H2 NAG 40 11.320 -6.665 12.195 263 H3 NAG 40 H3 NAG 40 9.303 -8.862 12.912 264 H4 NAG 40 H4 NAG 40 9.389 -5.939 13.846 265 H5 NAG 40 H5 NAG 40 7.411 -7.326 11.935 266 H61 NAG 40 H61 NAG 40 7.665 -4.369 12.550 267 H62 NAG 40 H62 NAG 40 6.411 -5.188 11.592 268 H81 NAG 40 H81 NAG 40 12.814 -9.987 9.327 269 H82 NAG 40 H82 NAG 40 13.269 -10.453 10.993 270 H83 NAG 40 H83 NAG 40 14.348 -9.398 10.034 271 HN2 NAG 40 HN2 NAG 40 11.268 -9.549 11.792 272 HO3 NAG 40 HO3 NAG 40 11.344 -7.490 14.307 273 HO4 NAG 40 HO4 NAG 40 7.321 -7.871 14.147 274 HO6 NAG 40 HO6 NAG 40 6.626 -4.901 14.331 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 -8.756 10.301 8.550 2 HA ASP 1 HA ASP 1 -7.068 11.839 7.708 3 HB2 ASP 1 HB2 ASP 1 -5.842 11.392 10.439 4 HB3 ASP 1 HB3 ASP 1 -5.125 12.343 9.141 5 H VAL 2 H VAL 2 -6.733 10.223 6.222 6 HA VAL 2 HA VAL 2 -4.615 8.301 6.907 7 HB VAL 2 HB VAL 2 -5.716 6.607 5.471 8 HG11 VAL 2 HG11 VAL 2 -6.825 5.734 7.229 9 HG12 VAL 2 HG12 VAL 2 -7.808 7.178 7.463 10 HG13 VAL 2 HG13 VAL 2 -6.157 7.126 8.081 11 HG21 VAL 2 HG21 VAL 2 -7.195 8.635 4.485 12 HG22 VAL 2 HG22 VAL 2 -8.334 7.948 5.645 13 HG23 VAL 2 HG23 VAL 2 -7.657 6.936 4.368 14 H ASN 3 H ASN 3 -3.246 7.694 5.190 15 HA ASN 3 HA ASN 3 -3.370 9.505 2.869 16 HB2 ASN 3 HB2 ASN 3 -1.414 9.646 4.567 17 HB3 ASN 3 HB3 ASN 3 -0.850 8.160 3.809 18 HD21 ASN 3 HD21 ASN 3 1.004 9.201 3.066 19 HD22 ASN 3 HD22 ASN 3 0.961 10.291 1.727 20 H GLU 4 H GLU 4 -1.784 6.406 3.662 21 HA GLU 4 HA GLU 4 -3.107 5.128 1.417 22 HB2 GLU 4 HB2 GLU 4 -0.102 5.398 1.572 23 HB3 GLU 4 HB3 GLU 4 -0.949 4.324 0.467 24 HG2 GLU 4 HG2 GLU 4 -1.251 7.319 0.528 25 HG3 GLU 4 HG3 GLU 4 -0.217 6.424 -0.585 26 H CYS 5 H CYS 5 -0.455 4.696 3.744 27 HA CYS 5 HA CYS 5 -1.202 1.913 4.121 28 HB2 CYS 5 HB2 CYS 5 1.078 3.583 5.134 29 HB3 CYS 5 HB3 CYS 5 0.798 1.940 5.691 30 H ILE 6 H ILE 6 -2.926 1.610 5.397 31 HA ILE 6 HA ILE 6 -2.978 3.022 7.980 32 HB ILE 6 HB ILE 6 -5.406 2.080 6.490 33 HG12 ILE 6 HG12 ILE 6 -4.313 3.867 5.222 34 HG13 ILE 6 HG13 ILE 6 -5.812 4.444 5.944 35 HG21 ILE 6 HG21 ILE 6 -4.905 3.330 9.105 36 HG22 ILE 6 HG22 ILE 6 -6.216 2.270 8.584 37 HG23 ILE 6 HG23 ILE 6 -6.258 3.989 8.186 38 HD11 ILE 6 HD11 ILE 6 -4.627 5.631 7.630 39 HD12 ILE 6 HD12 ILE 6 -3.903 6.034 6.074 40 HD13 ILE 6 HD13 ILE 6 -3.098 4.894 7.152 41 H SER 7 H SER 7 -4.680 0.263 6.525 42 HA SER 7 HA SER 7 -4.074 -1.272 8.954 43 HB2 SER 7 HB2 SER 7 -6.514 -0.783 8.230 44 HB3 SER 7 HB3 SER 7 -6.233 -2.006 6.992 45 HG SER 7 HG SER 7 -6.945 -2.425 9.460 46 H ASN 8 H ASN 8 -2.008 -1.226 7.310 47 HA ASN 8 HA ASN 8 -0.604 -2.428 5.964 48 HB2 ASN 8 HB2 ASN 8 -0.702 -3.825 7.999 49 HB3 ASN 8 HB3 ASN 8 -2.039 -4.729 7.301 50 HD21 ASN 8 HD21 ASN 8 -0.189 -6.287 7.993 51 HD22 ASN 8 HD22 ASN 8 0.828 -6.783 6.696 52 HA PRO 9 HA PRO 9 -3.656 -2.995 2.541 53 HB2 PRO 9 HB2 PRO 9 -1.699 -2.428 0.647 54 HB3 PRO 9 HB3 PRO 9 -2.832 -1.261 1.328 55 HG2 PRO 9 HG2 PRO 9 0.009 -1.797 2.055 56 HG3 PRO 9 HG3 PRO 9 -0.867 -0.257 2.002 57 HD2 PRO 9 HD2 PRO 9 -0.324 -1.494 4.321 58 HD3 PRO 9 HD3 PRO 9 -1.833 -0.592 4.080 59 H CYS 10 H CYS 10 -0.341 -4.172 2.886 60 HA CYS 10 HA CYS 10 -0.377 -6.144 0.913 61 HB2 CYS 10 HB2 CYS 10 1.192 -5.672 3.397 62 HB3 CYS 10 HB3 CYS 10 1.270 -7.280 2.684 63 H GLN 11 H GLN 11 -0.167 -8.580 1.538 64 HA GLN 11 HA GLN 11 -2.239 -9.318 3.481 65 HB2 GLN 11 HB2 GLN 11 -2.386 -9.572 0.589 66 HB3 GLN 11 HB3 GLN 11 -2.573 -11.126 1.389 67 HG2 GLN 11 HG2 GLN 11 -4.132 -8.968 2.593 68 HG3 GLN 11 HG3 GLN 11 -4.569 -9.340 0.926 69 HE21 GLN 11 HE21 GLN 11 -5.622 -11.206 0.472 70 HE22 GLN 11 HE22 GLN 11 -6.148 -12.336 1.669 71 H ASN 12 H ASN 12 0.704 -9.486 3.491 72 HA ASN 12 HA ASN 12 0.880 -12.307 4.168 73 HB2 ASN 12 HB2 ASN 12 2.362 -11.033 1.924 74 HB3 ASN 12 HB3 ASN 12 3.231 -12.195 2.915 75 HD21 ASN 12 HD21 ASN 12 2.914 -12.751 0.347 76 HD22 ASN 12 HD22 ASN 12 1.771 -14.019 0.134 77 H ASP 13 H ASP 13 1.052 -9.520 5.422 78 HA ASP 13 HA ASP 13 2.101 -8.622 7.228 79 HB2 ASP 13 HB2 ASP 13 2.910 -11.414 7.293 80 HB3 ASP 13 HB3 ASP 13 4.164 -10.363 7.942 81 H ALA 14 H ALA 14 2.794 -7.344 5.219 82 HA ALA 14 HA ALA 14 5.713 -7.416 4.922 83 HB1 ALA 14 HB1 ALA 14 3.596 -7.194 3.049 84 HB2 ALA 14 HB2 ALA 14 5.332 -7.235 2.747 85 HB3 ALA 14 HB3 ALA 14 4.520 -5.691 3.012 86 H THR 15 H THR 15 6.642 -5.162 4.411 87 HA THR 15 HA THR 15 5.850 -3.408 6.593 88 HB THR 15 HB THR 15 8.208 -3.258 4.704 89 HG21 THR 15 HG21 THR 15 7.226 -1.292 6.466 90 HG22 THR 15 HG22 THR 15 8.743 -1.302 5.567 91 HG23 THR 15 HG23 THR 15 8.679 -1.977 7.194 92 H CYS 16 H CYS 16 5.246 -1.261 6.358 93 HA CYS 16 HA CYS 16 4.484 -0.461 3.627 94 HB2 CYS 16 HB2 CYS 16 2.829 -0.832 5.845 95 HB3 CYS 16 HB3 CYS 16 3.011 0.914 5.718 96 H LEU 17 H LEU 17 5.422 1.314 2.867 97 HA LEU 17 HA LEU 17 6.618 3.197 4.795 98 HB2 LEU 17 HB2 LEU 17 7.636 2.028 2.266 99 HB3 LEU 17 HB3 LEU 17 8.020 3.713 2.566 100 HG LEU 17 HG LEU 17 9.844 2.370 3.347 101 HD11 LEU 17 HD11 LEU 17 8.630 2.912 5.970 102 HD12 LEU 17 HD12 LEU 17 8.630 4.265 4.839 103 HD13 LEU 17 HD13 LEU 17 10.149 3.482 5.277 104 HD21 LEU 17 HD21 LEU 17 8.036 0.951 5.271 105 HD22 LEU 17 HD22 LEU 17 9.671 0.529 4.764 106 HD23 LEU 17 HD23 LEU 17 8.321 0.322 3.649 107 H ASP 18 H ASP 18 6.616 5.433 4.226 108 HA ASP 18 HA ASP 18 4.488 6.142 2.314 109 HB2 ASP 18 HB2 ASP 18 5.032 7.014 5.079 110 HB3 ASP 18 HB3 ASP 18 4.632 8.311 3.957 111 H GLN 19 H GLN 19 5.812 6.490 0.547 112 HA GLN 19 HA GLN 19 7.685 8.752 0.796 113 HB2 GLN 19 HB2 GLN 19 7.943 6.143 -0.606 114 HB3 GLN 19 HB3 GLN 19 8.628 7.556 -1.399 115 HG2 GLN 19 HG2 GLN 19 10.428 6.833 -0.204 116 HG3 GLN 19 HG3 GLN 19 9.717 7.964 0.947 117 HE21 GLN 19 HE21 GLN 19 8.652 7.168 2.764 118 HE22 GLN 19 HE22 GLN 19 8.859 5.541 3.308 119 H ILE 20 H ILE 20 5.800 6.971 -1.634 120 HA ILE 20 HA ILE 20 5.380 9.468 -3.098 121 HB ILE 20 HB ILE 20 4.630 6.675 -3.960 122 HG12 ILE 20 HG12 ILE 20 6.924 7.978 -5.260 123 HG13 ILE 20 HG13 ILE 20 7.199 7.554 -3.573 124 HG21 ILE 20 HG21 ILE 20 4.812 7.846 -6.244 125 HG22 ILE 20 HG22 ILE 20 4.689 9.343 -5.320 126 HG23 ILE 20 HG23 ILE 20 3.387 8.156 -5.252 127 HD11 ILE 20 HD11 ILE 20 6.078 5.273 -4.509 128 HD12 ILE 20 HD12 ILE 20 7.813 5.580 -4.419 129 HD13 ILE 20 HD13 ILE 20 6.948 5.845 -5.933 130 H GLY 21 H GLY 21 3.211 9.921 -3.965 131 HA2 GLY 21 HA2 GLY 21 1.266 10.155 -2.032 132 HA3 GLY 21 HA3 GLY 21 0.935 10.185 -3.757 133 H GLU 22 H GLU 22 1.968 7.379 -4.004 134 HA GLU 22 HA GLU 22 -0.541 6.076 -3.309 135 HB2 GLU 22 HB2 GLU 22 0.286 4.226 -4.707 136 HB3 GLU 22 HB3 GLU 22 0.314 5.759 -5.566 137 HG2 GLU 22 HG2 GLU 22 2.820 5.638 -4.457 138 HG3 GLU 22 HG3 GLU 22 2.489 3.959 -4.878 139 H PHE 23 H PHE 23 -0.016 3.540 -2.864 140 HA PHE 23 HA PHE 23 1.290 3.579 -0.268 141 HB2 PHE 23 HB2 PHE 23 0.267 1.383 0.062 142 HB3 PHE 23 HB3 PHE 23 -0.932 2.562 -0.460 143 HD1 PHE 23 HD1 PHE 23 1.096 -0.317 -1.511 144 HD2 PHE 23 HD2 PHE 23 -2.085 2.323 -2.511 145 HE1 PHE 23 HE1 PHE 23 0.450 -1.806 -3.364 146 HE2 PHE 23 HE2 PHE 23 -2.740 0.841 -4.366 147 HZ PHE 23 HZ PHE 23 -1.471 -1.227 -4.794 148 H GLN 24 H GLN 24 3.207 2.687 0.179 149 HA GLN 24 HA GLN 24 4.498 1.090 -1.935 150 HB2 GLN 24 HB2 GLN 24 5.571 3.271 -1.599 151 HB3 GLN 24 HB3 GLN 24 5.785 2.910 0.109 152 HG2 GLN 24 HG2 GLN 24 7.484 1.429 -0.271 153 HG3 GLN 24 HG3 GLN 24 6.927 1.038 -1.898 154 HE21 GLN 24 HE21 GLN 24 8.420 1.604 -3.301 155 HE22 GLN 24 HE22 GLN 24 9.316 3.083 -3.298 156 H CYS 25 H CYS 25 3.825 -0.908 -1.154 157 HA CYS 25 HA CYS 25 4.556 -1.637 1.580 158 HB2 CYS 25 HB2 CYS 25 2.316 -2.218 0.310 159 HB3 CYS 25 HB3 CYS 25 3.273 -3.549 -0.330 160 H ILE 26 H ILE 26 6.280 -2.842 2.069 161 HA ILE 26 HA ILE 26 8.023 -3.708 -0.095 162 HB ILE 26 HB ILE 26 8.560 -3.918 2.864 163 HG12 ILE 26 HG12 ILE 26 9.212 -1.634 0.988 164 HG13 ILE 26 HG13 ILE 26 8.024 -1.587 2.287 165 HG21 ILE 26 HG21 ILE 26 9.921 -5.037 0.835 166 HG22 ILE 26 HG22 ILE 26 10.676 -4.493 2.334 167 HG23 ILE 26 HG23 ILE 26 10.714 -3.463 0.902 168 HD11 ILE 26 HD11 ILE 26 10.103 -0.484 2.912 169 HD12 ILE 26 HD12 ILE 26 10.985 -1.986 2.638 170 HD13 ILE 26 HD13 ILE 26 9.787 -1.890 3.928 171 H CYS 27 H CYS 27 8.009 -5.712 -0.845 172 HA CYS 27 HA CYS 27 6.598 -7.796 0.602 173 HB2 CYS 27 HB2 CYS 27 7.035 -7.195 -2.121 174 HB3 CYS 27 HB3 CYS 27 7.847 -8.728 -1.820 175 H MET 28 H MET 28 7.642 -10.062 0.431 176 HA MET 28 HA MET 28 10.074 -9.976 1.934 177 HB2 MET 28 HB2 MET 28 8.015 -11.908 1.329 178 HB3 MET 28 HB3 MET 28 9.604 -12.629 1.124 179 HG2 MET 28 HG2 MET 28 9.947 -11.369 3.480 180 HG3 MET 28 HG3 MET 28 8.225 -11.738 3.560 181 HE1 MET 28 HE1 MET 28 11.639 -12.674 4.054 182 HE2 MET 28 HE2 MET 28 11.646 -14.385 4.484 183 HE3 MET 28 HE3 MET 28 10.827 -13.218 5.522 184 HA PRO 29 HA PRO 29 13.074 -10.715 -1.218 185 HB2 PRO 29 HB2 PRO 29 14.688 -12.615 -0.238 186 HB3 PRO 29 HB3 PRO 29 14.601 -11.005 0.483 187 HG2 PRO 29 HG2 PRO 29 13.292 -13.549 1.369 188 HG3 PRO 29 HG3 PRO 29 14.109 -12.314 2.344 189 HD2 PRO 29 HD2 PRO 29 11.398 -12.467 2.084 190 HD3 PRO 29 HD3 PRO 29 12.263 -10.946 2.382 191 H GLY 30 H GLY 30 11.077 -11.699 -2.421 192 HA2 GLY 30 HA2 GLY 30 11.426 -13.335 -4.319 193 HA3 GLY 30 HA3 GLY 30 11.649 -14.528 -3.049 194 H TYR 31 H TYR 31 9.275 -11.904 -3.228 195 HA TYR 31 HA TYR 31 7.157 -13.940 -3.063 196 HB2 TYR 31 HB2 TYR 31 7.516 -11.265 -1.841 197 HB3 TYR 31 HB3 TYR 31 5.884 -11.663 -2.364 198 HD1 TYR 31 HD1 TYR 31 8.483 -13.908 -0.928 199 HD2 TYR 31 HD2 TYR 31 4.718 -12.006 -0.369 200 HE1 TYR 31 HE1 TYR 31 8.144 -15.199 1.137 201 HE2 TYR 31 HE2 TYR 31 4.370 -13.292 1.698 202 HH TYR 31 HH TYR 31 6.316 -15.954 2.558 203 H GLU 32 H GLU 32 4.957 -12.645 -3.804 204 HA GLU 32 HA GLU 32 5.426 -11.290 -6.339 205 HB2 GLU 32 HB2 GLU 32 5.008 -14.030 -6.310 206 HB3 GLU 32 HB3 GLU 32 3.413 -13.378 -6.652 207 HG2 GLU 32 HG2 GLU 32 4.712 -13.900 -8.677 208 HG3 GLU 32 HG3 GLU 32 4.241 -12.205 -8.571 209 H GLY 33 H GLY 33 2.812 -11.459 -7.322 210 HA2 GLY 33 HA2 GLY 33 0.676 -10.636 -7.033 211 HA3 GLY 33 HA3 GLY 33 0.905 -10.778 -5.297 212 H VAL 34 H VAL 34 -0.478 -8.657 -6.128 213 HA VAL 34 HA VAL 34 1.315 -6.390 -6.457 214 HB VAL 34 HB VAL 34 -1.689 -6.340 -6.167 215 HG11 VAL 34 HG11 VAL 34 -0.176 -4.243 -5.880 216 HG12 VAL 34 HG12 VAL 34 -1.621 -4.146 -6.886 217 HG13 VAL 34 HG13 VAL 34 -0.035 -4.330 -7.635 218 HG21 VAL 34 HG21 VAL 34 0.031 -7.058 -8.455 219 HG22 VAL 34 HG22 VAL 34 -1.288 -5.936 -8.796 220 HG23 VAL 34 HG23 VAL 34 -1.634 -7.518 -8.096 221 H TYR 35 H TYR 35 -0.831 -7.788 -4.041 222 HA TYR 35 HA TYR 35 0.057 -5.734 -2.125 223 HB2 TYR 35 HB2 TYR 35 -2.507 -7.206 -2.472 224 HB3 TYR 35 HB3 TYR 35 -2.007 -6.834 -0.826 225 HD1 TYR 35 HD1 TYR 35 -0.732 -4.185 -1.205 226 HD2 TYR 35 HD2 TYR 35 -4.312 -5.781 -2.859 227 HE1 TYR 35 HE1 TYR 35 -1.625 -1.908 -1.455 228 HE2 TYR 35 HE2 TYR 35 -5.214 -3.509 -3.114 229 HH TYR 35 HH TYR 35 -4.037 -0.880 -1.579 230 H CYS 36 H CYS 36 1.565 -8.109 -2.883 231 HA CYS 36 HA CYS 36 2.719 -9.847 -1.962 232 HB2 CYS 36 HB2 CYS 36 2.170 -8.195 0.508 233 HB3 CYS 36 HB3 CYS 36 3.274 -9.564 0.474 234 H GLU 37 H GLU 37 0.963 -11.303 -2.531 235 HA GLU 37 HA GLU 37 0.041 -12.759 -0.214 236 HB2 GLU 37 HB2 GLU 37 -1.725 -11.045 -0.563 237 HB3 GLU 37 HB3 GLU 37 -1.976 -11.667 -2.186 238 HG2 GLU 37 HG2 GLU 37 -3.607 -12.420 -0.413 239 HG3 GLU 37 HG3 GLU 37 -2.872 -13.685 -1.392 240 H ILE 38 H ILE 38 1.781 -13.137 -2.578 241 HA ILE 38 HA ILE 38 0.621 -15.669 -3.462 242 HB ILE 38 HB ILE 38 1.840 -13.734 -5.430 243 HG12 ILE 38 HG12 ILE 38 -0.353 -12.938 -4.560 244 HG13 ILE 38 HG13 ILE 38 -0.393 -13.333 -6.276 245 HG21 ILE 38 HG21 ILE 38 0.551 -15.440 -6.969 246 HG22 ILE 38 HG22 ILE 38 0.776 -16.508 -5.584 247 HG23 ILE 38 HG23 ILE 38 2.176 -15.788 -6.378 248 HD11 ILE 38 HD11 ILE 38 -1.994 -14.833 -5.967 249 HD12 ILE 38 HD12 ILE 38 -2.141 -14.212 -4.323 250 HD13 ILE 38 HD13 ILE 38 -1.112 -15.606 -4.650 251 H1 FUC 39 H1 FUC 39 10.267 -3.382 6.290 252 H2 FUC 39 H2 FUC 39 11.435 -5.317 7.254 253 H3 FUC 39 H3 FUC 39 8.644 -6.472 7.686 254 H4 FUC 39 H4 FUC 39 9.268 -8.164 6.063 255 H5 FUC 39 H5 FUC 39 8.201 -6.117 5.204 256 H61 FUC 39 H61 FUC 39 8.878 -7.787 3.501 257 H62 FUC 39 H62 FUC 39 10.498 -7.028 3.396 258 H63 FUC 39 H63 FUC 39 9.049 -6.120 2.868 259 HO2 FUC 39 HO2 FUC 39 9.187 -4.455 8.813 260 HO4 FUC 39 HO4 FUC 39 11.560 -8.077 6.458 261 H1 NAG 40 H1 NAG 40 8.938 -8.851 8.552 262 H2 NAG 40 H2 NAG 40 10.983 -8.277 10.774 263 H3 NAG 40 H3 NAG 40 8.949 -10.563 10.545 264 H4 NAG 40 H4 NAG 40 8.954 -8.173 12.470 265 H5 NAG 40 H5 NAG 40 7.100 -8.755 10.081 266 H61 NAG 40 H61 NAG 40 7.223 -6.073 11.371 267 H62 NAG 40 H62 NAG 40 5.866 -6.923 10.596 268 H81 NAG 40 H81 NAG 40 13.501 -10.646 8.191 269 H82 NAG 40 H82 NAG 40 14.319 -11.188 9.686 270 H83 NAG 40 H83 NAG 40 12.885 -12.069 9.081 271 HN2 NAG 40 HN2 NAG 40 11.030 -10.174 8.596 272 HO3 NAG 40 HO3 NAG 40 9.820 -11.252 12.368 273 HO4 NAG 40 HO4 NAG 40 7.967 -10.197 13.121 274 HO6 NAG 40 HO6 NAG 40 5.324 -7.725 12.491 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 -12.880 1.159 -2.069 2 HA ASP 1 HA ASP 1 -10.468 0.657 -2.591 3 HB2 ASP 1 HB2 ASP 1 -11.389 0.830 -5.140 4 HB3 ASP 1 HB3 ASP 1 -10.663 2.423 -4.952 5 H VAL 2 H VAL 2 -10.073 1.900 -0.821 6 HA VAL 2 HA VAL 2 -9.707 4.756 -1.306 7 HB VAL 2 HB VAL 2 -10.720 5.292 0.928 8 HG11 VAL 2 HG11 VAL 2 -13.046 5.250 0.104 9 HG12 VAL 2 HG12 VAL 2 -12.543 4.172 -1.197 10 HG13 VAL 2 HG13 VAL 2 -11.904 5.813 -1.115 11 HG21 VAL 2 HG21 VAL 2 -10.930 3.375 2.156 12 HG22 VAL 2 HG22 VAL 2 -11.388 2.399 0.760 13 HG23 VAL 2 HG23 VAL 2 -12.562 3.488 1.497 14 H ASN 3 H ASN 3 -8.459 5.799 0.474 15 HA ASN 3 HA ASN 3 -6.592 5.921 1.767 16 HB2 ASN 3 HB2 ASN 3 -7.528 3.192 2.680 17 HB3 ASN 3 HB3 ASN 3 -6.268 4.138 3.467 18 HD21 ASN 3 HD21 ASN 3 -8.591 3.253 4.738 19 HD22 ASN 3 HD22 ASN 3 -9.533 4.632 5.179 20 H GLU 4 H GLU 4 -4.454 4.764 2.271 21 HA GLU 4 HA GLU 4 -3.670 3.142 -0.060 22 HB2 GLU 4 HB2 GLU 4 -2.625 5.656 0.907 23 HB3 GLU 4 HB3 GLU 4 -1.368 4.426 0.907 24 HG2 GLU 4 HG2 GLU 4 -1.218 5.444 -1.186 25 HG3 GLU 4 HG3 GLU 4 -2.068 3.928 -1.481 26 H CYS 5 H CYS 5 -1.919 4.082 2.869 27 HA CYS 5 HA CYS 5 -1.721 1.233 3.584 28 HB2 CYS 5 HB2 CYS 5 0.399 2.065 2.644 29 HB3 CYS 5 HB3 CYS 5 0.435 3.313 3.880 30 H ILE 6 H ILE 6 -3.566 1.662 4.965 31 HA ILE 6 HA ILE 6 -2.979 3.304 7.321 32 HB ILE 6 HB ILE 6 -5.609 2.033 6.644 33 HG12 ILE 6 HG12 ILE 6 -4.916 3.526 4.809 34 HG13 ILE 6 HG13 ILE 6 -6.295 4.176 5.690 35 HG21 ILE 6 HG21 ILE 6 -5.422 4.539 8.183 36 HG22 ILE 6 HG22 ILE 6 -4.818 3.086 8.979 37 HG23 ILE 6 HG23 ILE 6 -6.483 3.148 8.402 38 HD11 ILE 6 HD11 ILE 6 -4.484 5.472 7.027 39 HD12 ILE 6 HD12 ILE 6 -4.972 6.031 5.427 40 HD13 ILE 6 HD13 ILE 6 -3.473 5.124 5.624 41 H SER 7 H SER 7 -4.711 0.258 6.736 42 HA SER 7 HA SER 7 -3.597 -0.767 9.250 43 HB2 SER 7 HB2 SER 7 -6.062 -0.679 9.132 44 HB3 SER 7 HB3 SER 7 -6.024 -1.721 7.710 45 HG SER 7 HG SER 7 -6.380 -2.740 9.853 46 H ASN 8 H ASN 8 -1.715 -0.923 7.471 47 HA ASN 8 HA ASN 8 -0.294 -2.288 6.337 48 HB2 ASN 8 HB2 ASN 8 -0.457 -3.647 8.359 49 HB3 ASN 8 HB3 ASN 8 -1.901 -4.434 7.737 50 HD21 ASN 8 HD21 ASN 8 -0.209 -6.155 8.429 51 HD22 ASN 8 HD22 ASN 8 0.715 -6.795 7.125 52 HA PRO 9 HA PRO 9 -3.152 -2.835 2.801 53 HB2 PRO 9 HB2 PRO 9 -1.186 -2.439 0.928 54 HB3 PRO 9 HB3 PRO 9 -2.130 -1.140 1.663 55 HG2 PRO 9 HG2 PRO 9 0.616 -2.110 2.340 56 HG3 PRO 9 HG3 PRO 9 0.003 -0.448 2.256 57 HD2 PRO 9 HD2 PRO 9 0.347 -1.727 4.600 58 HD3 PRO 9 HD3 PRO 9 -0.976 -0.571 4.347 59 H CYS 10 H CYS 10 0.089 -4.213 3.212 60 HA CYS 10 HA CYS 10 -0.106 -6.243 1.303 61 HB2 CYS 10 HB2 CYS 10 1.522 -5.892 3.794 62 HB3 CYS 10 HB3 CYS 10 1.567 -7.426 2.931 63 H GLN 11 H GLN 11 -0.251 -8.602 1.752 64 HA GLN 11 HA GLN 11 -2.418 -9.124 3.678 65 HB2 GLN 11 HB2 GLN 11 -2.131 -9.731 0.881 66 HB3 GLN 11 HB3 GLN 11 -2.307 -11.222 1.795 67 HG2 GLN 11 HG2 GLN 11 -4.172 -8.953 2.301 68 HG3 GLN 11 HG3 GLN 11 -4.398 -9.976 0.882 69 HE21 GLN 11 HE21 GLN 11 -6.397 -10.651 1.766 70 HE22 GLN 11 HE22 GLN 11 -6.458 -11.834 3.024 71 H ASN 12 H ASN 12 0.723 -10.128 2.564 72 HA ASN 12 HA ASN 12 0.675 -12.550 4.168 73 HB2 ASN 12 HB2 ASN 12 2.518 -11.382 2.138 74 HB3 ASN 12 HB3 ASN 12 3.180 -12.530 3.293 75 HD21 ASN 12 HD21 ASN 12 3.276 -13.174 0.734 76 HD22 ASN 12 HD22 ASN 12 2.143 -14.417 0.373 77 H ASP 13 H ASP 13 0.846 -9.545 5.132 78 HA ASP 13 HA ASP 13 1.605 -8.567 7.047 79 HB2 ASP 13 HB2 ASP 13 1.480 -10.989 7.922 80 HB3 ASP 13 HB3 ASP 13 3.222 -11.035 7.663 81 H ALA 14 H ALA 14 2.732 -7.473 5.158 82 HA ALA 14 HA ALA 14 5.639 -7.823 5.306 83 HB1 ALA 14 HB1 ALA 14 3.887 -7.525 3.137 84 HB2 ALA 14 HB2 ALA 14 5.649 -7.580 3.102 85 HB3 ALA 14 HB3 ALA 14 4.819 -6.029 3.229 86 H THR 15 H THR 15 6.658 -5.505 4.569 87 HA THR 15 HA THR 15 5.905 -3.712 6.753 88 HB THR 15 HB THR 15 8.362 -3.728 4.986 89 HG21 THR 15 HG21 THR 15 7.763 -2.115 7.453 90 HG22 THR 15 HG22 THR 15 8.013 -1.501 5.818 91 HG23 THR 15 HG23 THR 15 9.347 -2.255 6.690 92 H CYS 16 H CYS 16 5.965 -1.363 6.354 93 HA CYS 16 HA CYS 16 5.167 -0.644 3.616 94 HB2 CYS 16 HB2 CYS 16 3.219 -0.921 5.263 95 HB3 CYS 16 HB3 CYS 16 3.832 0.529 6.048 96 H LEU 17 H LEU 17 5.964 1.251 2.858 97 HA LEU 17 HA LEU 17 7.453 2.948 4.750 98 HB2 LEU 17 HB2 LEU 17 8.694 1.374 2.982 99 HB3 LEU 17 HB3 LEU 17 8.396 2.754 1.944 100 HG LEU 17 HG LEU 17 9.565 3.426 4.558 101 HD11 LEU 17 HD11 LEU 17 10.844 1.474 4.332 102 HD12 LEU 17 HD12 LEU 17 11.861 2.761 3.684 103 HD13 LEU 17 HD13 LEU 17 11.003 1.678 2.587 104 HD21 LEU 17 HD21 LEU 17 10.381 5.182 3.417 105 HD22 LEU 17 HD22 LEU 17 9.193 4.712 2.201 106 HD23 LEU 17 HD23 LEU 17 10.870 4.192 2.041 107 H ASP 18 H ASP 18 4.827 2.892 2.850 108 HA ASP 18 HA ASP 18 3.506 4.460 1.875 109 HB2 ASP 18 HB2 ASP 18 3.805 5.634 3.996 110 HB3 ASP 18 HB3 ASP 18 5.305 6.344 3.412 111 H GLN 19 H GLN 19 3.445 6.200 0.250 112 HA GLN 19 HA GLN 19 5.963 6.732 -1.118 113 HB2 GLN 19 HB2 GLN 19 4.121 4.734 -1.989 114 HB3 GLN 19 HB3 GLN 19 4.084 6.055 -3.147 115 HG2 GLN 19 HG2 GLN 19 6.724 5.034 -2.244 116 HG3 GLN 19 HG3 GLN 19 5.783 4.068 -3.380 117 HE21 GLN 19 HE21 GLN 19 7.656 6.915 -2.913 118 HE22 GLN 19 HE22 GLN 19 7.678 7.435 -4.561 119 H ILE 20 H ILE 20 5.275 8.031 -3.279 120 HA ILE 20 HA ILE 20 3.813 10.328 -2.271 121 HB ILE 20 HB ILE 20 4.578 11.356 -4.463 122 HG12 ILE 20 HG12 ILE 20 6.639 9.208 -4.602 123 HG13 ILE 20 HG13 ILE 20 5.061 8.888 -5.316 124 HG21 ILE 20 HG21 ILE 20 7.103 11.168 -3.554 125 HG22 ILE 20 HG22 ILE 20 6.217 10.580 -2.148 126 HG23 ILE 20 HG23 ILE 20 5.864 12.178 -2.806 127 HD11 ILE 20 HD11 ILE 20 7.244 10.517 -6.288 128 HD12 ILE 20 HD12 ILE 20 5.711 11.387 -6.278 129 HD13 ILE 20 HD13 ILE 20 5.852 9.858 -7.146 130 H GLY 21 H GLY 21 1.663 9.632 -2.354 131 HA2 GLY 21 HA2 GLY 21 -0.338 9.997 -3.600 132 HA3 GLY 21 HA3 GLY 21 0.541 9.602 -5.068 133 H GLU 22 H GLU 22 1.770 7.225 -3.783 134 HA GLU 22 HA GLU 22 -0.604 5.488 -3.637 135 HB2 GLU 22 HB2 GLU 22 1.980 4.708 -4.984 136 HB3 GLU 22 HB3 GLU 22 0.453 3.836 -5.002 137 HG2 GLU 22 HG2 GLU 22 -0.288 6.219 -6.064 138 HG3 GLU 22 HG3 GLU 22 1.369 6.078 -6.649 139 H PHE 23 H PHE 23 0.142 3.198 -2.861 140 HA PHE 23 HA PHE 23 1.529 3.631 -0.346 141 HB2 PHE 23 HB2 PHE 23 0.731 1.347 0.207 142 HB3 PHE 23 HB3 PHE 23 -0.572 2.448 -0.228 143 HD1 PHE 23 HD1 PHE 23 1.586 -0.249 -1.556 144 HD2 PHE 23 HD2 PHE 23 -2.041 1.935 -1.953 145 HE1 PHE 23 HE1 PHE 23 0.819 -1.843 -3.271 146 HE2 PHE 23 HE2 PHE 23 -2.819 0.347 -3.667 147 HZ PHE 23 HZ PHE 23 -1.386 -1.546 -4.327 148 H GLN 24 H GLN 24 3.315 2.432 0.353 149 HA GLN 24 HA GLN 24 4.772 1.001 -1.770 150 HB2 GLN 24 HB2 GLN 24 5.776 3.205 -1.342 151 HB3 GLN 24 HB3 GLN 24 5.945 2.797 0.360 152 HG2 GLN 24 HG2 GLN 24 7.597 1.192 -0.076 153 HG3 GLN 24 HG3 GLN 24 7.226 1.160 -1.799 154 HE21 GLN 24 HE21 GLN 24 7.751 3.872 0.410 155 HE22 GLN 24 HE22 GLN 24 9.084 4.550 -0.456 156 H CYS 25 H CYS 25 3.849 -0.950 -0.909 157 HA CYS 25 HA CYS 25 4.702 -1.727 1.772 158 HB2 CYS 25 HB2 CYS 25 2.356 -2.158 0.635 159 HB3 CYS 25 HB3 CYS 25 3.184 -3.559 -0.038 160 H ILE 26 H ILE 26 6.394 -3.002 2.156 161 HA ILE 26 HA ILE 26 7.883 -4.063 -0.117 162 HB ILE 26 HB ILE 26 8.708 -4.100 2.782 163 HG12 ILE 26 HG12 ILE 26 9.418 -2.023 0.703 164 HG13 ILE 26 HG13 ILE 26 8.201 -1.787 1.953 165 HG21 ILE 26 HG21 ILE 26 9.949 -5.623 1.370 166 HG22 ILE 26 HG22 ILE 26 10.973 -4.263 1.831 167 HG23 ILE 26 HG23 ILE 26 10.270 -4.328 0.215 168 HD11 ILE 26 HD11 ILE 26 9.821 -1.857 3.667 169 HD12 ILE 26 HD12 ILE 26 10.465 -0.802 2.409 170 HD13 ILE 26 HD13 ILE 26 11.063 -2.454 2.566 171 H CYS 27 H CYS 27 7.520 -6.077 -0.756 172 HA CYS 27 HA CYS 27 6.281 -7.995 1.031 173 HB2 CYS 27 HB2 CYS 27 5.723 -7.645 -1.465 174 HB3 CYS 27 HB3 CYS 27 7.191 -8.563 -1.781 175 H MET 28 H MET 28 7.141 -10.235 1.148 176 HA MET 28 HA MET 28 9.646 -10.346 2.291 177 HB2 MET 28 HB2 MET 28 7.646 -12.274 1.399 178 HB3 MET 28 HB3 MET 28 9.283 -12.907 1.288 179 HG2 MET 28 HG2 MET 28 9.442 -11.901 3.730 180 HG3 MET 28 HG3 MET 28 7.696 -12.138 3.669 181 HE1 MET 28 HE1 MET 28 10.686 -14.908 5.005 182 HE2 MET 28 HE2 MET 28 10.859 -13.227 4.498 183 HE3 MET 28 HE3 MET 28 11.214 -14.532 3.365 184 HA PRO 29 HA PRO 29 12.596 -10.685 -0.974 185 HB2 PRO 29 HB2 PRO 29 14.354 -12.504 -0.120 186 HB3 PRO 29 HB3 PRO 29 14.142 -10.965 0.719 187 HG2 PRO 29 HG2 PRO 29 13.049 -13.665 1.412 188 HG3 PRO 29 HG3 PRO 29 13.763 -12.441 2.478 189 HD2 PRO 29 HD2 PRO 29 11.065 -12.807 2.170 190 HD3 PRO 29 HD3 PRO 29 11.804 -11.262 2.636 191 H GLY 30 H GLY 30 11.602 -11.452 -2.810 192 HA2 GLY 30 HA2 GLY 30 11.795 -13.048 -4.565 193 HA3 GLY 30 HA3 GLY 30 12.015 -14.306 -3.358 194 H TYR 31 H TYR 31 9.486 -11.863 -3.272 195 HA TYR 31 HA TYR 31 7.509 -14.020 -3.580 196 HB2 TYR 31 HB2 TYR 31 7.632 -11.577 -1.897 197 HB3 TYR 31 HB3 TYR 31 6.051 -12.022 -2.528 198 HD1 TYR 31 HD1 TYR 31 8.954 -13.893 -1.084 199 HD2 TYR 31 HD2 TYR 31 4.765 -13.152 -0.990 200 HE1 TYR 31 HE1 TYR 31 8.708 -15.545 0.721 201 HE2 TYR 31 HE2 TYR 31 4.508 -14.802 0.815 202 HH TYR 31 HH TYR 31 6.616 -15.775 2.734 203 H GLU 32 H GLU 32 5.253 -12.775 -4.183 204 HA GLU 32 HA GLU 32 5.676 -10.903 -6.364 205 HB2 GLU 32 HB2 GLU 32 4.271 -12.376 -7.894 206 HB3 GLU 32 HB3 GLU 32 5.933 -12.881 -7.623 207 HG2 GLU 32 HG2 GLU 32 4.884 -14.331 -5.729 208 HG3 GLU 32 HG3 GLU 32 3.396 -14.103 -6.648 209 H GLY 33 H GLY 33 3.432 -10.437 -7.431 210 HA2 GLY 33 HA2 GLY 33 1.038 -10.347 -7.070 211 HA3 GLY 33 HA3 GLY 33 1.348 -10.479 -5.345 212 H VAL 34 H VAL 34 -0.304 -8.534 -6.021 213 HA VAL 34 HA VAL 34 1.174 -6.062 -6.433 214 HB VAL 34 HB VAL 34 -1.787 -6.405 -5.949 215 HG11 VAL 34 HG11 VAL 34 -2.031 -4.196 -6.310 216 HG12 VAL 34 HG12 VAL 34 -0.750 -4.145 -7.522 217 HG13 VAL 34 HG13 VAL 34 -0.341 -4.127 -5.807 218 HG21 VAL 34 HG21 VAL 34 -0.457 -7.431 -8.086 219 HG22 VAL 34 HG22 VAL 34 -0.856 -5.815 -8.669 220 HG23 VAL 34 HG23 VAL 34 -2.136 -6.894 -8.115 221 H TYR 35 H TYR 35 -0.970 -7.477 -3.968 222 HA TYR 35 HA TYR 35 0.023 -5.487 -2.048 223 HB2 TYR 35 HB2 TYR 35 -2.538 -6.947 -2.366 224 HB3 TYR 35 HB3 TYR 35 -1.995 -6.680 -0.713 225 HD1 TYR 35 HD1 TYR 35 -0.759 -4.035 -0.856 226 HD2 TYR 35 HD2 TYR 35 -4.302 -5.481 -2.716 227 HE1 TYR 35 HE1 TYR 35 -1.647 -1.743 -0.935 228 HE2 TYR 35 HE2 TYR 35 -5.198 -3.194 -2.802 229 HH TYR 35 HH TYR 35 -4.284 -0.857 -2.808 230 H CYS 36 H CYS 36 1.609 -7.753 -2.831 231 HA CYS 36 HA CYS 36 2.803 -9.500 -1.972 232 HB2 CYS 36 HB2 CYS 36 3.468 -7.583 -0.495 233 HB3 CYS 36 HB3 CYS 36 2.264 -8.130 0.666 234 H GLU 37 H GLU 37 1.502 -11.263 -2.351 235 HA GLU 37 HA GLU 37 0.528 -12.655 -0.081 236 HB2 GLU 37 HB2 GLU 37 -1.366 -11.165 -0.260 237 HB3 GLU 37 HB3 GLU 37 -1.526 -11.505 -1.977 238 HG2 GLU 37 HG2 GLU 37 -3.204 -12.648 -0.568 239 HG3 GLU 37 HG3 GLU 37 -2.222 -13.749 -1.534 240 H ILE 38 H ILE 38 0.470 -12.307 -3.594 241 HA ILE 38 HA ILE 38 0.167 -15.178 -3.962 242 HB ILE 38 HB ILE 38 0.652 -13.136 -6.123 243 HG12 ILE 38 HG12 ILE 38 -1.282 -12.424 -4.779 244 HG13 ILE 38 HG13 ILE 38 -1.782 -12.969 -6.377 245 HG21 ILE 38 HG21 ILE 38 0.740 -15.767 -6.365 246 HG22 ILE 38 HG22 ILE 38 0.032 -14.744 -7.616 247 HG23 ILE 38 HG23 ILE 38 -1.011 -15.574 -6.460 248 HD11 ILE 38 HD11 ILE 38 -1.892 -14.689 -3.915 249 HD12 ILE 38 HD12 ILE 38 -2.593 -15.026 -5.498 250 HD13 ILE 38 HD13 ILE 38 -3.241 -13.719 -4.507 251 H1 FUC 39 H1 FUC 39 10.338 -3.970 6.678 252 H2 FUC 39 H2 FUC 39 11.309 -6.008 7.659 253 H3 FUC 39 H3 FUC 39 8.419 -6.934 7.962 254 H4 FUC 39 H4 FUC 39 8.969 -8.652 6.343 255 H5 FUC 39 H5 FUC 39 8.108 -6.516 5.471 256 H61 FUC 39 H61 FUC 39 8.718 -8.213 3.769 257 H62 FUC 39 H62 FUC 39 9.051 -6.557 3.171 258 H63 FUC 39 H63 FUC 39 10.397 -7.588 3.745 259 HO2 FUC 39 HO2 FUC 39 9.080 -4.986 9.145 260 HO4 FUC 39 HO4 FUC 39 11.521 -7.351 6.187 261 H1 NAG 40 H1 NAG 40 8.451 -9.306 8.812 262 H2 NAG 40 H2 NAG 40 10.490 -9.007 11.094 263 H3 NAG 40 H3 NAG 40 8.232 -11.059 10.757 264 H4 NAG 40 H4 NAG 40 8.445 -8.732 12.748 265 H5 NAG 40 H5 NAG 40 6.595 -9.053 10.307 266 H61 NAG 40 H61 NAG 40 6.230 -7.539 12.625 267 H62 NAG 40 H62 NAG 40 6.885 -6.380 11.446 268 H81 NAG 40 H81 NAG 40 13.552 -12.056 9.673 269 H82 NAG 40 H82 NAG 40 12.181 -13.120 10.107 270 H83 NAG 40 H83 NAG 40 12.163 -12.226 8.558 271 HN2 NAG 40 HN2 NAG 40 10.238 -11.078 9.014 272 HO3 NAG 40 HO3 NAG 40 10.206 -10.560 12.719 273 HO4 NAG 40 HO4 NAG 40 7.229 -10.691 13.283 274 HO6 NAG 40 HO6 NAG 40 4.735 -6.400 11.005 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 -5.508 12.007 3.615 2 HA ASP 1 HA ASP 1 -5.947 13.354 1.821 3 HB2 ASP 1 HB2 ASP 1 -3.790 14.475 2.303 4 HB3 ASP 1 HB3 ASP 1 -2.965 13.278 1.311 5 H VAL 2 H VAL 2 -3.204 11.348 0.735 6 HA VAL 2 HA VAL 2 -5.013 9.860 -1.013 7 HB VAL 2 HB VAL 2 -3.316 10.088 -2.890 8 HG11 VAL 2 HG11 VAL 2 -5.311 11.151 -3.332 9 HG12 VAL 2 HG12 VAL 2 -4.175 12.499 -3.410 10 HG13 VAL 2 HG13 VAL 2 -5.152 12.251 -1.961 11 HG21 VAL 2 HG21 VAL 2 -2.497 12.715 -1.840 12 HG22 VAL 2 HG22 VAL 2 -1.592 11.538 -2.793 13 HG23 VAL 2 HG23 VAL 2 -1.766 11.316 -1.052 14 H ASN 3 H ASN 3 -4.665 7.980 0.110 15 HA ASN 3 HA ASN 3 -2.427 6.428 -0.564 16 HB2 ASN 3 HB2 ASN 3 -2.198 8.002 1.909 17 HB3 ASN 3 HB3 ASN 3 -1.875 6.282 2.117 18 HD21 ASN 3 HD21 ASN 3 -0.043 8.493 2.339 19 HD22 ASN 3 HD22 ASN 3 1.200 8.225 1.171 20 H GLU 4 H GLU 4 -2.775 4.283 -0.136 21 HA GLU 4 HA GLU 4 -5.282 3.656 1.272 22 HB2 GLU 4 HB2 GLU 4 -3.840 2.127 -0.902 23 HB3 GLU 4 HB3 GLU 4 -5.300 1.577 -0.088 24 HG2 GLU 4 HG2 GLU 4 -5.527 4.259 -1.216 25 HG3 GLU 4 HG3 GLU 4 -5.211 3.004 -2.414 26 H CYS 5 H CYS 5 -2.702 4.018 2.568 27 HA CYS 5 HA CYS 5 -2.232 1.281 3.545 28 HB2 CYS 5 HB2 CYS 5 -0.248 2.227 2.501 29 HB3 CYS 5 HB3 CYS 5 -0.361 3.640 3.539 30 H ILE 6 H ILE 6 -3.955 1.420 5.049 31 HA ILE 6 HA ILE 6 -3.506 3.296 7.268 32 HB ILE 6 HB ILE 6 -6.051 1.806 6.733 33 HG12 ILE 6 HG12 ILE 6 -5.591 3.228 4.803 34 HG13 ILE 6 HG13 ILE 6 -6.918 3.897 5.749 35 HG21 ILE 6 HG21 ILE 6 -5.271 3.023 8.990 36 HG22 ILE 6 HG22 ILE 6 -6.953 2.937 8.466 37 HG23 ILE 6 HG23 ILE 6 -6.003 4.389 8.149 38 HD11 ILE 6 HD11 ILE 6 -4.419 4.980 6.648 39 HD12 ILE 6 HD12 ILE 6 -5.835 5.808 6.000 40 HD13 ILE 6 HD13 ILE 6 -4.596 5.194 4.906 41 H SER 7 H SER 7 -5.016 0.108 6.852 42 HA SER 7 HA SER 7 -3.725 -0.737 9.349 43 HB2 SER 7 HB2 SER 7 -6.202 -0.793 9.347 44 HB3 SER 7 HB3 SER 7 -6.158 -1.916 7.988 45 HG SER 7 HG SER 7 -6.064 -3.388 9.482 46 H ASN 8 H ASN 8 -1.949 -0.841 7.451 47 HA ASN 8 HA ASN 8 -0.506 -2.162 6.292 48 HB2 ASN 8 HB2 ASN 8 -0.467 -3.439 8.376 49 HB3 ASN 8 HB3 ASN 8 -1.883 -4.345 7.866 50 HD21 ASN 8 HD21 ASN 8 -0.028 -5.910 8.534 51 HD22 ASN 8 HD22 ASN 8 0.862 -6.544 7.204 52 HA PRO 9 HA PRO 9 -3.602 -3.030 3.003 53 HB2 PRO 9 HB2 PRO 9 -1.833 -2.444 0.981 54 HB3 PRO 9 HB3 PRO 9 -2.880 -1.257 1.762 55 HG2 PRO 9 HG2 PRO 9 0.007 -1.855 2.252 56 HG3 PRO 9 HG3 PRO 9 -0.821 -0.288 2.199 57 HD2 PRO 9 HD2 PRO 9 -0.145 -1.466 4.522 58 HD3 PRO 9 HD3 PRO 9 -1.626 -0.500 4.357 59 H CYS 10 H CYS 10 -0.282 -4.116 3.398 60 HA CYS 10 HA CYS 10 -0.292 -6.135 1.443 61 HB2 CYS 10 HB2 CYS 10 1.261 -6.261 4.027 62 HB3 CYS 10 HB3 CYS 10 1.685 -6.963 2.470 63 H GLN 11 H GLN 11 -0.211 -8.500 1.897 64 HA GLN 11 HA GLN 11 -2.298 -9.212 3.851 65 HB2 GLN 11 HB2 GLN 11 -1.986 -9.804 1.049 66 HB3 GLN 11 HB3 GLN 11 -2.040 -11.297 1.977 67 HG2 GLN 11 HG2 GLN 11 -4.086 -9.093 2.128 68 HG3 GLN 11 HG3 GLN 11 -4.248 -10.567 1.174 69 HE21 GLN 11 HE21 GLN 11 -5.815 -11.664 2.152 70 HE22 GLN 11 HE22 GLN 11 -5.846 -12.088 3.826 71 H ASN 12 H ASN 12 0.878 -10.002 2.624 72 HA ASN 12 HA ASN 12 1.070 -12.357 4.318 73 HB2 ASN 12 HB2 ASN 12 2.583 -11.252 2.044 74 HB3 ASN 12 HB3 ASN 12 3.559 -12.067 3.259 75 HD21 ASN 12 HD21 ASN 12 3.583 -13.137 0.883 76 HD22 ASN 12 HD22 ASN 12 2.645 -14.579 0.825 77 H ASP 13 H ASP 13 1.073 -9.341 5.180 78 HA ASP 13 HA ASP 13 1.865 -8.253 7.022 79 HB2 ASP 13 HB2 ASP 13 2.184 -10.794 7.789 80 HB3 ASP 13 HB3 ASP 13 3.884 -10.346 7.671 81 H ALA 14 H ALA 14 2.761 -7.335 4.791 82 HA ALA 14 HA ALA 14 5.675 -7.329 4.757 83 HB1 ALA 14 HB1 ALA 14 3.595 -6.957 2.815 84 HB2 ALA 14 HB2 ALA 14 5.319 -7.221 2.568 85 HB3 ALA 14 HB3 ALA 14 4.701 -5.585 2.791 86 H THR 15 H THR 15 6.603 -5.042 4.164 87 HA THR 15 HA THR 15 5.860 -3.297 6.373 88 HB THR 15 HB THR 15 8.166 -3.144 4.420 89 HG21 THR 15 HG21 THR 15 9.188 -1.579 5.965 90 HG22 THR 15 HG22 THR 15 7.738 -1.606 6.969 91 HG23 THR 15 HG23 THR 15 7.667 -0.943 5.336 92 H CYS 16 H CYS 16 5.054 -1.252 6.168 93 HA CYS 16 HA CYS 16 4.451 -0.332 3.434 94 HB2 CYS 16 HB2 CYS 16 2.493 -1.222 4.884 95 HB3 CYS 16 HB3 CYS 16 2.670 0.286 5.774 96 H LEU 17 H LEU 17 5.751 1.342 3.060 97 HA LEU 17 HA LEU 17 6.320 3.230 5.229 98 HB2 LEU 17 HB2 LEU 17 7.649 2.630 2.605 99 HB3 LEU 17 HB3 LEU 17 7.981 4.124 3.462 100 HG LEU 17 HG LEU 17 8.460 1.339 4.525 101 HD11 LEU 17 HD11 LEU 17 10.622 1.516 3.910 102 HD12 LEU 17 HD12 LEU 17 10.664 3.262 4.158 103 HD13 LEU 17 HD13 LEU 17 9.958 2.597 2.684 104 HD21 LEU 17 HD21 LEU 17 7.897 2.753 6.356 105 HD22 LEU 17 HD22 LEU 17 8.907 4.059 5.736 106 HD23 LEU 17 HD23 LEU 17 9.652 2.581 6.346 107 H ASP 18 H ASP 18 6.174 5.511 4.857 108 HA ASP 18 HA ASP 18 4.217 6.224 2.771 109 HB2 ASP 18 HB2 ASP 18 3.825 6.378 5.490 110 HB3 ASP 18 HB3 ASP 18 4.337 8.015 5.092 111 H GLN 19 H GLN 19 5.779 6.856 1.278 112 HA GLN 19 HA GLN 19 7.146 9.371 1.950 113 HB2 GLN 19 HB2 GLN 19 8.266 6.919 0.645 114 HB3 GLN 19 HB3 GLN 19 8.911 8.499 0.223 115 HG2 GLN 19 HG2 GLN 19 9.946 8.761 2.206 116 HG3 GLN 19 HG3 GLN 19 8.676 7.929 3.103 117 HE21 GLN 19 HE21 GLN 19 10.959 7.253 3.999 118 HE22 GLN 19 HE22 GLN 19 11.533 5.740 3.394 119 H ILE 20 H ILE 20 5.995 7.271 -0.657 120 HA ILE 20 HA ILE 20 5.778 9.586 -2.432 121 HB ILE 20 HB ILE 20 5.249 6.704 -3.141 122 HG12 ILE 20 HG12 ILE 20 7.826 8.214 -3.600 123 HG13 ILE 20 HG13 ILE 20 7.579 7.133 -2.232 124 HG21 ILE 20 HG21 ILE 20 4.364 7.914 -4.867 125 HG22 ILE 20 HG22 ILE 20 6.033 7.767 -5.418 126 HG23 ILE 20 HG23 ILE 20 5.486 9.257 -4.649 127 HD11 ILE 20 HD11 ILE 20 8.474 6.484 -4.803 128 HD12 ILE 20 HD12 ILE 20 6.856 5.796 -4.653 129 HD13 ILE 20 HD13 ILE 20 8.102 5.384 -3.475 130 H GLY 21 H GLY 21 3.802 9.841 -3.727 131 HA2 GLY 21 HA2 GLY 21 1.518 10.145 -2.208 132 HA3 GLY 21 HA3 GLY 21 1.523 10.036 -3.961 133 H GLU 22 H GLU 22 2.673 7.273 -3.787 134 HA GLU 22 HA GLU 22 0.124 5.911 -3.299 135 HB2 GLU 22 HB2 GLU 22 1.223 4.037 -4.600 136 HB3 GLU 22 HB3 GLU 22 0.913 5.515 -5.502 137 HG2 GLU 22 HG2 GLU 22 3.213 6.159 -5.358 138 HG3 GLU 22 HG3 GLU 22 3.568 4.814 -4.276 139 H PHE 23 H PHE 23 0.552 3.462 -2.691 140 HA PHE 23 HA PHE 23 1.951 3.553 -0.146 141 HB2 PHE 23 HB2 PHE 23 0.819 1.449 0.339 142 HB3 PHE 23 HB3 PHE 23 -0.335 2.652 -0.227 143 HD1 PHE 23 HD1 PHE 23 1.403 -0.457 -1.025 144 HD2 PHE 23 HD2 PHE 23 -1.435 2.420 -2.349 145 HE1 PHE 23 HE1 PHE 23 0.635 -2.024 -2.764 146 HE2 PHE 23 HE2 PHE 23 -2.211 0.861 -4.092 147 HZ PHE 23 HZ PHE 23 -1.176 -1.364 -4.300 148 H GLN 24 H GLN 24 3.562 2.100 0.482 149 HA GLN 24 HA GLN 24 4.866 0.656 -1.732 150 HB2 GLN 24 HB2 GLN 24 5.892 2.746 -0.082 151 HB3 GLN 24 HB3 GLN 24 6.770 1.270 0.296 152 HG2 GLN 24 HG2 GLN 24 8.057 2.026 -1.403 153 HG3 GLN 24 HG3 GLN 24 6.886 1.099 -2.340 154 HE21 GLN 24 HE21 GLN 24 6.542 2.159 -4.158 155 HE22 GLN 24 HE22 GLN 24 6.207 3.847 -4.301 156 H CYS 25 H CYS 25 4.203 -1.394 -1.343 157 HA CYS 25 HA CYS 25 4.414 -2.464 1.373 158 HB2 CYS 25 HB2 CYS 25 2.319 -2.891 0.189 159 HB3 CYS 25 HB3 CYS 25 3.199 -3.652 -1.130 160 H ILE 26 H ILE 26 6.340 -3.259 1.900 161 HA ILE 26 HA ILE 26 8.081 -4.385 -0.145 162 HB ILE 26 HB ILE 26 8.680 -4.167 2.800 163 HG12 ILE 26 HG12 ILE 26 9.287 -2.116 0.659 164 HG13 ILE 26 HG13 ILE 26 8.001 -1.957 1.851 165 HG21 ILE 26 HG21 ILE 26 10.408 -5.394 2.030 166 HG22 ILE 26 HG22 ILE 26 11.020 -3.819 1.527 167 HG23 ILE 26 HG23 ILE 26 10.190 -4.856 0.365 168 HD11 ILE 26 HD11 ILE 26 10.928 -2.202 2.501 169 HD12 ILE 26 HD12 ILE 26 9.613 -1.908 3.639 170 HD13 ILE 26 HD13 ILE 26 10.022 -0.689 2.432 171 H CYS 27 H CYS 27 7.456 -6.401 -0.702 172 HA CYS 27 HA CYS 27 6.513 -8.285 1.270 173 HB2 CYS 27 HB2 CYS 27 5.921 -8.005 -1.324 174 HB3 CYS 27 HB3 CYS 27 7.223 -9.179 -1.477 175 H MET 28 H MET 28 7.470 -10.597 1.083 176 HA MET 28 HA MET 28 10.023 -10.584 2.184 177 HB2 MET 28 HB2 MET 28 8.069 -12.567 1.375 178 HB3 MET 28 HB3 MET 28 9.705 -13.126 1.060 179 HG2 MET 28 HG2 MET 28 10.077 -12.229 3.526 180 HG3 MET 28 HG3 MET 28 8.350 -12.562 3.630 181 HE1 MET 28 HE1 MET 28 11.959 -14.933 3.153 182 HE2 MET 28 HE2 MET 28 11.425 -15.028 4.833 183 HE3 MET 28 HE3 MET 28 11.609 -13.457 4.054 184 HA PRO 29 HA PRO 29 12.859 -10.661 -1.195 185 HB2 PRO 29 HB2 PRO 29 14.669 -12.525 -0.559 186 HB3 PRO 29 HB3 PRO 29 14.497 -11.040 0.381 187 HG2 PRO 29 HG2 PRO 29 13.443 -13.782 0.965 188 HG3 PRO 29 HG3 PRO 29 14.219 -12.625 2.064 189 HD2 PRO 29 HD2 PRO 29 11.515 -12.970 1.907 190 HD3 PRO 29 HD3 PRO 29 12.278 -11.439 2.379 191 H GLY 30 H GLY 30 11.565 -11.340 -2.937 192 HA2 GLY 30 HA2 GLY 30 11.693 -12.760 -4.855 193 HA3 GLY 30 HA3 GLY 30 12.115 -14.097 -3.797 194 H TYR 31 H TYR 31 9.437 -11.761 -3.644 195 HA TYR 31 HA TYR 31 7.582 -14.050 -3.703 196 HB2 TYR 31 HB2 TYR 31 7.701 -11.616 -2.025 197 HB3 TYR 31 HB3 TYR 31 6.100 -12.091 -2.573 198 HD1 TYR 31 HD1 TYR 31 9.127 -13.865 -1.267 199 HD2 TYR 31 HD2 TYR 31 4.917 -13.308 -1.022 200 HE1 TYR 31 HE1 TYR 31 9.017 -15.539 0.530 201 HE2 TYR 31 HE2 TYR 31 4.795 -14.980 0.777 202 HH TYR 31 HH TYR 31 7.592 -16.198 2.348 203 H GLU 32 H GLU 32 5.215 -12.918 -4.135 204 HA GLU 32 HA GLU 32 5.437 -11.151 -6.452 205 HB2 GLU 32 HB2 GLU 32 4.893 -13.971 -6.608 206 HB3 GLU 32 HB3 GLU 32 3.487 -13.072 -7.154 207 HG2 GLU 32 HG2 GLU 32 4.469 -12.849 -9.120 208 HG3 GLU 32 HG3 GLU 32 5.674 -11.818 -8.350 209 H GLY 33 H GLY 33 2.822 -11.216 -7.300 210 HA2 GLY 33 HA2 GLY 33 0.600 -10.813 -6.634 211 HA3 GLY 33 HA3 GLY 33 1.131 -10.783 -4.959 212 H VAL 34 H VAL 34 -0.604 -8.881 -5.790 213 HA VAL 34 HA VAL 34 0.898 -6.493 -6.501 214 HB VAL 34 HB VAL 34 -2.045 -6.699 -5.860 215 HG11 VAL 34 HG11 VAL 34 -2.022 -4.663 -7.445 216 HG12 VAL 34 HG12 VAL 34 -0.297 -4.597 -7.085 217 HG13 VAL 34 HG13 VAL 34 -1.475 -4.446 -5.783 218 HG21 VAL 34 HG21 VAL 34 -0.604 -7.038 -8.484 219 HG22 VAL 34 HG22 VAL 34 -2.334 -6.724 -8.350 220 HG23 VAL 34 HG23 VAL 34 -1.651 -8.200 -7.670 221 H TYR 35 H TYR 35 -1.023 -7.733 -3.792 222 HA TYR 35 HA TYR 35 -0.013 -5.523 -2.131 223 HB2 TYR 35 HB2 TYR 35 -2.553 -7.043 -2.186 224 HB3 TYR 35 HB3 TYR 35 -1.927 -6.656 -0.587 225 HD1 TYR 35 HD1 TYR 35 -0.749 -4.011 -0.969 226 HD2 TYR 35 HD2 TYR 35 -4.356 -5.626 -2.547 227 HE1 TYR 35 HE1 TYR 35 -1.677 -1.742 -1.156 228 HE2 TYR 35 HE2 TYR 35 -5.292 -3.361 -2.739 229 HH TYR 35 HH TYR 35 -3.881 -0.655 -1.260 230 H CYS 36 H CYS 36 1.605 -7.793 -2.783 231 HA CYS 36 HA CYS 36 2.960 -9.350 -1.818 232 HB2 CYS 36 HB2 CYS 36 3.567 -7.437 -0.410 233 HB3 CYS 36 HB3 CYS 36 2.242 -7.812 0.686 234 H GLU 37 H GLU 37 1.675 -11.156 -2.241 235 HA GLU 37 HA GLU 37 0.875 -12.652 0.021 236 HB2 GLU 37 HB2 GLU 37 -1.078 -11.234 0.020 237 HB3 GLU 37 HB3 GLU 37 -1.334 -11.509 -1.696 238 HG2 GLU 37 HG2 GLU 37 -2.906 -12.792 -0.383 239 HG3 GLU 37 HG3 GLU 37 -1.806 -13.865 -1.248 240 H ILE 38 H ILE 38 0.559 -12.180 -3.466 241 HA ILE 38 HA ILE 38 0.364 -15.047 -3.921 242 HB ILE 38 HB ILE 38 0.571 -12.884 -6.010 243 HG12 ILE 38 HG12 ILE 38 -1.318 -12.427 -4.480 244 HG13 ILE 38 HG13 ILE 38 -1.865 -12.863 -6.095 245 HG21 ILE 38 HG21 ILE 38 -0.846 -15.499 -6.300 246 HG22 ILE 38 HG22 ILE 38 0.904 -15.408 -6.496 247 HG23 ILE 38 HG23 ILE 38 -0.151 -14.458 -7.543 248 HD11 ILE 38 HD11 ILE 38 -1.633 -15.144 -4.299 249 HD12 ILE 38 HD12 ILE 38 -2.959 -14.654 -5.354 250 HD13 ILE 38 HD13 ILE 38 -2.786 -13.925 -3.757 251 H1 FUC 39 H1 FUC 39 10.204 -3.358 5.477 252 H2 FUC 39 H2 FUC 39 11.592 -4.624 7.016 253 H3 FUC 39 H3 FUC 39 8.968 -5.557 8.263 254 H4 FUC 39 H4 FUC 39 9.570 -7.769 7.479 255 H5 FUC 39 H5 FUC 39 8.252 -6.357 5.951 256 H61 FUC 39 H61 FUC 39 8.906 -8.591 5.080 257 H62 FUC 39 H62 FUC 39 8.849 -7.377 3.767 258 H63 FUC 39 H63 FUC 39 10.423 -7.894 4.434 259 HO2 FUC 39 HO2 FUC 39 9.447 -3.229 8.310 260 HO4 FUC 39 HO4 FUC 39 11.434 -8.004 6.131 261 H1 NAG 40 H1 NAG 40 9.637 -7.424 9.947 262 H2 NAG 40 H2 NAG 40 11.682 -5.761 11.526 263 H3 NAG 40 H3 NAG 40 10.006 -8.164 12.438 264 H4 NAG 40 H4 NAG 40 9.757 -5.215 13.251 265 H5 NAG 40 H5 NAG 40 7.888 -6.925 11.500 266 H61 NAG 40 H61 NAG 40 7.429 -4.127 11.218 267 H62 NAG 40 H62 NAG 40 7.466 -4.484 12.959 268 H81 NAG 40 H81 NAG 40 13.862 -9.356 10.210 269 H82 NAG 40 H82 NAG 40 15.099 -8.860 11.402 270 H83 NAG 40 H83 NAG 40 14.967 -7.999 9.839 271 HN2 NAG 40 HN2 NAG 40 11.857 -8.461 10.410 272 HO3 NAG 40 HO3 NAG 40 12.137 -7.615 13.405 273 HO4 NAG 40 HO4 NAG 40 8.402 -7.598 13.938 274 HO6 NAG 40 HO6 NAG 40 5.745 -5.522 10.955 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 -12.780 7.454 -1.333 2 HA ASP 1 HA ASP 1 -13.110 5.252 0.581 3 HB2 ASP 1 HB2 ASP 1 -12.826 3.671 -1.401 4 HB3 ASP 1 HB3 ASP 1 -14.385 4.477 -1.258 5 H VAL 2 H VAL 2 -11.175 5.654 1.590 6 HA VAL 2 HA VAL 2 -8.745 6.033 0.088 7 HB VAL 2 HB VAL 2 -7.630 5.990 2.301 8 HG11 VAL 2 HG11 VAL 2 -8.137 8.153 1.860 9 HG12 VAL 2 HG12 VAL 2 -9.208 7.933 3.244 10 HG13 VAL 2 HG13 VAL 2 -9.850 7.815 1.606 11 HG21 VAL 2 HG21 VAL 2 -9.209 4.368 3.341 12 HG22 VAL 2 HG22 VAL 2 -10.404 5.663 3.436 13 HG23 VAL 2 HG23 VAL 2 -8.890 5.791 4.333 14 H ASN 3 H ASN 3 -7.091 4.591 -0.216 15 HA ASN 3 HA ASN 3 -7.061 2.008 1.027 16 HB2 ASN 3 HB2 ASN 3 -8.746 2.097 -1.079 17 HB3 ASN 3 HB3 ASN 3 -7.242 1.735 -1.919 18 HD21 ASN 3 HD21 ASN 3 -9.291 -0.046 -1.963 19 HD22 ASN 3 HD22 ASN 3 -8.886 -1.439 -1.023 20 H GLU 4 H GLU 4 -5.004 3.041 1.554 21 HA GLU 4 HA GLU 4 -3.025 2.599 -0.576 22 HB2 GLU 4 HB2 GLU 4 -3.197 4.898 1.362 23 HB3 GLU 4 HB3 GLU 4 -1.698 4.475 0.547 24 HG2 GLU 4 HG2 GLU 4 -2.906 4.739 -1.626 25 HG3 GLU 4 HG3 GLU 4 -4.273 5.374 -0.713 26 H CYS 5 H CYS 5 -2.577 3.602 2.783 27 HA CYS 5 HA CYS 5 -1.694 0.948 3.550 28 HB2 CYS 5 HB2 CYS 5 0.192 2.747 2.589 29 HB3 CYS 5 HB3 CYS 5 0.327 2.892 4.337 30 H ILE 6 H ILE 6 -3.621 1.297 4.862 31 HA ILE 6 HA ILE 6 -3.235 3.143 7.106 32 HB ILE 6 HB ILE 6 -5.734 1.615 6.460 33 HG12 ILE 6 HG12 ILE 6 -5.096 3.071 4.563 34 HG13 ILE 6 HG13 ILE 6 -6.572 3.614 5.354 35 HG21 ILE 6 HG21 ILE 6 -6.137 2.338 8.560 36 HG22 ILE 6 HG22 ILE 6 -6.541 3.837 7.724 37 HG23 ILE 6 HG23 ILE 6 -4.949 3.637 8.455 38 HD11 ILE 6 HD11 ILE 6 -5.154 5.490 4.801 39 HD12 ILE 6 HD12 ILE 6 -3.826 4.785 5.722 40 HD13 ILE 6 HD13 ILE 6 -5.288 5.319 6.552 41 H SER 7 H SER 7 -4.725 -0.058 6.717 42 HA SER 7 HA SER 7 -3.488 -0.847 9.262 43 HB2 SER 7 HB2 SER 7 -6.080 -0.786 8.923 44 HB3 SER 7 HB3 SER 7 -5.820 -2.298 8.054 45 HG SER 7 HG SER 7 -5.001 -3.210 9.899 46 H ASN 8 H ASN 8 -1.724 -1.072 7.358 47 HA ASN 8 HA ASN 8 -0.333 -2.476 6.235 48 HB2 ASN 8 HB2 ASN 8 -0.309 -3.674 8.366 49 HB3 ASN 8 HB3 ASN 8 -1.758 -4.556 7.905 50 HD21 ASN 8 HD21 ASN 8 0.051 -6.152 8.614 51 HD22 ASN 8 HD22 ASN 8 0.911 -6.863 7.303 52 HA PRO 9 HA PRO 9 -3.461 -3.422 3.009 53 HB2 PRO 9 HB2 PRO 9 -1.753 -2.895 0.937 54 HB3 PRO 9 HB3 PRO 9 -2.732 -1.663 1.740 55 HG2 PRO 9 HG2 PRO 9 0.148 -2.360 2.148 56 HG3 PRO 9 HG3 PRO 9 -0.619 -0.762 2.072 57 HD2 PRO 9 HD2 PRO 9 0.072 -1.907 4.411 58 HD3 PRO 9 HD3 PRO 9 -1.366 -0.878 4.257 59 H CYS 10 H CYS 10 -0.048 -4.389 3.105 60 HA CYS 10 HA CYS 10 -0.182 -6.535 1.326 61 HB2 CYS 10 HB2 CYS 10 1.612 -5.846 3.622 62 HB3 CYS 10 HB3 CYS 10 1.756 -7.427 2.859 63 H GLN 11 H GLN 11 -0.880 -8.586 1.462 64 HA GLN 11 HA GLN 11 -2.301 -9.353 3.899 65 HB2 GLN 11 HB2 GLN 11 -2.466 -10.133 1.024 66 HB3 GLN 11 HB3 GLN 11 -3.022 -11.274 2.237 67 HG2 GLN 11 HG2 GLN 11 -3.990 -8.440 2.175 68 HG3 GLN 11 HG3 GLN 11 -4.736 -9.702 1.196 69 HE21 GLN 11 HE21 GLN 11 -6.506 -8.753 2.698 70 HE22 GLN 11 HE22 GLN 11 -6.785 -9.646 4.151 71 H ASN 12 H ASN 12 0.585 -9.491 3.861 72 HA ASN 12 HA ASN 12 0.850 -12.299 4.561 73 HB2 ASN 12 HB2 ASN 12 2.308 -10.991 2.309 74 HB3 ASN 12 HB3 ASN 12 3.146 -12.207 3.263 75 HD21 ASN 12 HD21 ASN 12 2.644 -12.526 0.597 76 HD22 ASN 12 HD22 ASN 12 1.526 -13.818 0.396 77 H ASP 13 H ASP 13 1.084 -9.372 5.667 78 HA ASP 13 HA ASP 13 2.152 -8.442 7.449 79 HB2 ASP 13 HB2 ASP 13 2.378 -11.084 7.977 80 HB3 ASP 13 HB3 ASP 13 4.080 -10.662 7.823 81 H ALA 14 H ALA 14 2.909 -7.472 5.179 82 HA ALA 14 HA ALA 14 5.821 -7.630 4.966 83 HB1 ALA 14 HB1 ALA 14 3.746 -7.420 3.082 84 HB2 ALA 14 HB2 ALA 14 5.485 -7.426 2.784 85 HB3 ALA 14 HB3 ALA 14 4.635 -5.898 3.021 86 H THR 15 H THR 15 6.702 -5.331 4.156 87 HA THR 15 HA THR 15 6.085 -3.497 6.355 88 HB THR 15 HB THR 15 8.445 -3.612 4.467 89 HG21 THR 15 HG21 THR 15 8.056 -1.843 6.869 90 HG22 THR 15 HG22 THR 15 8.058 -1.312 5.187 91 HG23 THR 15 HG23 THR 15 9.523 -1.986 5.901 92 H CYS 16 H CYS 16 5.968 -1.196 5.944 93 HA CYS 16 HA CYS 16 5.108 -0.517 3.214 94 HB2 CYS 16 HB2 CYS 16 3.115 -0.816 4.610 95 HB3 CYS 16 HB3 CYS 16 3.753 0.330 5.783 96 H LEU 17 H LEU 17 5.709 1.471 2.461 97 HA LEU 17 HA LEU 17 7.173 3.232 4.307 98 HB2 LEU 17 HB2 LEU 17 8.221 1.774 2.063 99 HB3 LEU 17 HB3 LEU 17 8.346 3.495 1.753 100 HG LEU 17 HG LEU 17 10.393 2.765 2.752 101 HD11 LEU 17 HD11 LEU 17 9.171 3.984 5.147 102 HD12 LEU 17 HD12 LEU 17 9.000 4.874 3.634 103 HD13 LEU 17 HD13 LEU 17 10.604 4.456 4.234 104 HD21 LEU 17 HD21 LEU 17 8.571 1.283 4.542 105 HD22 LEU 17 HD22 LEU 17 10.030 1.943 5.279 106 HD23 LEU 17 HD23 LEU 17 10.156 0.838 3.910 107 H ASP 18 H ASP 18 5.369 4.600 4.416 108 HA ASP 18 HA ASP 18 4.131 5.662 2.067 109 HB2 ASP 18 HB2 ASP 18 2.972 5.443 4.263 110 HB3 ASP 18 HB3 ASP 18 4.008 6.718 4.899 111 H GLN 19 H GLN 19 5.888 6.499 0.866 112 HA GLN 19 HA GLN 19 7.101 8.939 1.979 113 HB2 GLN 19 HB2 GLN 19 8.211 6.719 0.537 114 HB3 GLN 19 HB3 GLN 19 8.435 8.189 -0.402 115 HG2 GLN 19 HG2 GLN 19 10.339 8.171 0.862 116 HG3 GLN 19 HG3 GLN 19 9.281 9.170 1.857 117 HE21 GLN 19 HE21 GLN 19 8.291 8.217 3.701 118 HE22 GLN 19 HE22 GLN 19 9.012 6.853 4.478 119 H ILE 20 H ILE 20 5.330 7.580 -0.712 120 HA ILE 20 HA ILE 20 5.030 10.284 -1.836 121 HB ILE 20 HB ILE 20 4.600 7.754 -3.405 122 HG12 ILE 20 HG12 ILE 20 7.008 8.825 -4.278 123 HG13 ILE 20 HG13 ILE 20 7.121 8.935 -2.524 124 HG21 ILE 20 HG21 ILE 20 4.837 10.664 -4.029 125 HG22 ILE 20 HG22 ILE 20 3.636 9.492 -4.573 126 HG23 ILE 20 HG23 ILE 20 5.264 9.465 -5.251 127 HD11 ILE 20 HD11 ILE 20 6.263 6.435 -2.697 128 HD12 ILE 20 HD12 ILE 20 7.971 6.859 -2.818 129 HD13 ILE 20 HD13 ILE 20 7.032 6.557 -4.280 130 H GLY 21 H GLY 21 2.929 10.648 -2.966 131 HA2 GLY 21 HA2 GLY 21 0.756 10.402 -1.322 132 HA3 GLY 21 HA3 GLY 21 0.628 10.596 -3.063 133 H GLU 22 H GLU 22 1.991 7.998 -3.527 134 HA GLU 22 HA GLU 22 -0.378 6.331 -3.220 135 HB2 GLU 22 HB2 GLU 22 2.141 6.089 -4.851 136 HB3 GLU 22 HB3 GLU 22 1.020 4.745 -4.680 137 HG2 GLU 22 HG2 GLU 22 0.164 7.446 -5.667 138 HG3 GLU 22 HG3 GLU 22 0.772 6.186 -6.740 139 H PHE 23 H PHE 23 0.047 3.948 -2.752 140 HA PHE 23 HA PHE 23 1.565 3.804 -0.277 141 HB2 PHE 23 HB2 PHE 23 0.400 1.715 0.118 142 HB3 PHE 23 HB3 PHE 23 -0.755 2.961 -0.343 143 HD1 PHE 23 HD1 PHE 23 -1.807 2.923 -2.545 144 HD2 PHE 23 HD2 PHE 23 0.794 -0.185 -1.257 145 HE1 PHE 23 HE1 PHE 23 -2.660 1.471 -4.344 146 HE2 PHE 23 HE2 PHE 23 -0.051 -1.645 -3.052 147 HZ PHE 23 HZ PHE 23 -1.781 -0.816 -4.598 148 H GLN 24 H GLN 24 3.333 2.548 0.068 149 HA GLN 24 HA GLN 24 4.322 0.962 -2.207 150 HB2 GLN 24 HB2 GLN 24 5.462 3.275 -1.580 151 HB3 GLN 24 HB3 GLN 24 6.266 2.282 -0.372 152 HG2 GLN 24 HG2 GLN 24 6.882 0.735 -2.299 153 HG3 GLN 24 HG3 GLN 24 6.386 2.055 -3.358 154 HE21 GLN 24 HE21 GLN 24 8.910 0.711 -1.642 155 HE22 GLN 24 HE22 GLN 24 10.006 2.045 -1.692 156 H CYS 25 H CYS 25 3.543 -0.948 -1.273 157 HA CYS 25 HA CYS 25 4.504 -1.697 1.370 158 HB2 CYS 25 HB2 CYS 25 2.148 -2.187 0.262 159 HB3 CYS 25 HB3 CYS 25 2.996 -3.590 -0.379 160 H ILE 26 H ILE 26 6.252 -2.900 1.722 161 HA ILE 26 HA ILE 26 7.725 -3.939 -0.561 162 HB ILE 26 HB ILE 26 8.554 -3.983 2.339 163 HG12 ILE 26 HG12 ILE 26 9.137 -1.892 0.230 164 HG13 ILE 26 HG13 ILE 26 8.070 -1.677 1.614 165 HG21 ILE 26 HG21 ILE 26 10.826 -3.800 0.903 166 HG22 ILE 26 HG22 ILE 26 9.818 -4.716 -0.218 167 HG23 ILE 26 HG23 ILE 26 10.107 -5.327 1.411 168 HD11 ILE 26 HD11 ILE 26 10.275 -0.652 1.935 169 HD12 ILE 26 HD12 ILE 26 11.020 -2.244 1.783 170 HD13 ILE 26 HD13 ILE 26 9.931 -1.904 3.129 171 H CYS 27 H CYS 27 7.408 -5.951 -1.226 172 HA CYS 27 HA CYS 27 6.025 -7.894 0.321 173 HB2 CYS 27 HB2 CYS 27 7.627 -8.394 -2.186 174 HB3 CYS 27 HB3 CYS 27 6.264 -9.321 -1.575 175 H MET 28 H MET 28 7.069 -10.235 0.269 176 HA MET 28 HA MET 28 9.241 -10.144 2.111 177 HB2 MET 28 HB2 MET 28 7.410 -12.148 1.048 178 HB3 MET 28 HB3 MET 28 9.034 -12.780 1.272 179 HG2 MET 28 HG2 MET 28 8.616 -11.414 3.601 180 HG3 MET 28 HG3 MET 28 7.011 -12.047 3.240 181 HE1 MET 28 HE1 MET 28 9.253 -12.843 5.762 182 HE2 MET 28 HE2 MET 28 10.476 -12.631 4.510 183 HE3 MET 28 HE3 MET 28 10.279 -14.199 5.293 184 HA PRO 29 HA PRO 29 12.748 -10.694 -0.503 185 HB2 PRO 29 HB2 PRO 29 14.216 -12.609 0.676 186 HB3 PRO 29 HB3 PRO 29 13.995 -11.015 1.402 187 HG2 PRO 29 HG2 PRO 29 12.586 -13.586 2.019 188 HG3 PRO 29 HG3 PRO 29 13.230 -12.368 3.137 189 HD2 PRO 29 HD2 PRO 29 10.600 -12.519 2.472 190 HD3 PRO 29 HD3 PRO 29 11.403 -10.991 2.886 191 H GLY 30 H GLY 30 10.892 -11.733 -1.966 192 HA2 GLY 30 HA2 GLY 30 11.583 -13.256 -3.875 193 HA3 GLY 30 HA3 GLY 30 11.711 -14.490 -2.631 194 H TYR 31 H TYR 31 9.227 -11.989 -3.009 195 HA TYR 31 HA TYR 31 7.242 -14.145 -3.298 196 HB2 TYR 31 HB2 TYR 31 7.279 -11.657 -1.691 197 HB3 TYR 31 HB3 TYR 31 5.747 -12.065 -2.452 198 HD1 TYR 31 HD1 TYR 31 8.346 -14.302 -0.992 199 HD2 TYR 31 HD2 TYR 31 4.376 -12.795 -0.717 200 HE1 TYR 31 HE1 TYR 31 7.874 -15.891 0.824 201 HE2 TYR 31 HE2 TYR 31 3.894 -14.381 1.101 202 HH TYR 31 HH TYR 31 5.710 -17.018 1.770 203 H GLU 32 H GLU 32 5.057 -12.892 -4.119 204 HA GLU 32 HA GLU 32 5.673 -11.119 -6.336 205 HB2 GLU 32 HB2 GLU 32 4.335 -12.670 -7.889 206 HB3 GLU 32 HB3 GLU 32 6.000 -13.108 -7.529 207 HG2 GLU 32 HG2 GLU 32 3.810 -14.226 -5.850 208 HG3 GLU 32 HG3 GLU 32 4.098 -14.894 -7.455 209 H GLY 33 H GLY 33 3.425 -10.918 -7.668 210 HA2 GLY 33 HA2 GLY 33 1.048 -10.737 -7.479 211 HA3 GLY 33 HA3 GLY 33 1.218 -10.780 -5.731 212 H VAL 34 H VAL 34 -0.356 -8.898 -6.260 213 HA VAL 34 HA VAL 34 1.013 -6.428 -6.956 214 HB VAL 34 HB VAL 34 -1.864 -6.762 -6.110 215 HG11 VAL 34 HG11 VAL 34 -1.830 -4.668 -7.792 216 HG12 VAL 34 HG12 VAL 34 -0.211 -4.530 -7.106 217 HG13 VAL 34 HG13 VAL 34 -1.620 -4.517 -6.047 218 HG21 VAL 34 HG21 VAL 34 -0.535 -7.177 -8.752 219 HG22 VAL 34 HG22 VAL 34 -2.173 -6.526 -8.693 220 HG23 VAL 34 HG23 VAL 34 -1.825 -8.102 -7.985 221 H TYR 35 H TYR 35 -0.948 -7.631 -4.232 222 HA TYR 35 HA TYR 35 0.212 -5.554 -2.523 223 HB2 TYR 35 HB2 TYR 35 -2.279 -7.169 -2.469 224 HB3 TYR 35 HB3 TYR 35 -1.569 -6.772 -0.908 225 HD1 TYR 35 HD1 TYR 35 -0.676 -4.132 -0.976 226 HD2 TYR 35 HD2 TYR 35 -4.003 -5.771 -3.059 227 HE1 TYR 35 HE1 TYR 35 -1.704 -1.901 -1.077 228 HE2 TYR 35 HE2 TYR 35 -5.040 -3.545 -3.167 229 HH TYR 35 HH TYR 35 -3.333 -0.676 -2.311 230 H CYS 36 H CYS 36 1.730 -7.907 -3.415 231 HA CYS 36 HA CYS 36 3.136 -9.500 -2.594 232 HB2 CYS 36 HB2 CYS 36 2.823 -8.156 0.087 233 HB3 CYS 36 HB3 CYS 36 4.229 -9.008 -0.546 234 H GLU 37 H GLU 37 0.268 -9.993 -2.515 235 HA GLU 37 HA GLU 37 -0.034 -11.676 -0.141 236 HB2 GLU 37 HB2 GLU 37 -2.380 -11.726 -0.636 237 HB3 GLU 37 HB3 GLU 37 -1.835 -10.062 -0.772 238 HG2 GLU 37 HG2 GLU 37 -2.117 -10.001 -3.040 239 HG3 GLU 37 HG3 GLU 37 -1.912 -11.741 -3.225 240 H ILE 38 H ILE 38 1.668 -12.301 -2.547 241 HA ILE 38 HA ILE 38 0.463 -14.922 -3.138 242 HB ILE 38 HB ILE 38 2.164 -13.395 -5.101 243 HG12 ILE 38 HG12 ILE 38 0.045 -12.183 -4.661 244 HG13 ILE 38 HG13 ILE 38 0.130 -12.819 -6.301 245 HG21 ILE 38 HG21 ILE 38 0.736 -15.111 -6.571 246 HG22 ILE 38 HG22 ILE 38 0.795 -16.014 -5.058 247 HG23 ILE 38 HG23 ILE 38 2.292 -15.526 -5.852 248 HD11 ILE 38 HD11 ILE 38 -1.671 -13.528 -4.080 249 HD12 ILE 38 HD12 ILE 38 -1.132 -14.851 -5.114 250 HD13 ILE 38 HD13 ILE 38 -1.970 -13.467 -5.817 251 H1 FUC 39 H1 FUC 39 10.520 -3.828 6.001 252 H2 FUC 39 H2 FUC 39 11.470 -5.825 7.078 253 H3 FUC 39 H3 FUC 39 8.576 -6.547 7.715 254 H4 FUC 39 H4 FUC 39 8.885 -8.431 6.221 255 H5 FUC 39 H5 FUC 39 8.062 -6.336 5.221 256 H61 FUC 39 H61 FUC 39 8.804 -6.638 2.869 257 H62 FUC 39 H62 FUC 39 10.133 -7.697 3.427 258 H63 FUC 39 H63 FUC 39 8.429 -8.208 3.645 259 HO2 FUC 39 HO2 FUC 39 10.881 -3.983 8.374 260 HO4 FUC 39 HO4 FUC 39 11.182 -8.636 6.518 261 H1 NAG 40 H1 NAG 40 8.568 -8.838 8.777 262 H2 NAG 40 H2 NAG 40 10.812 -8.445 10.841 263 H3 NAG 40 H3 NAG 40 8.438 -10.390 10.894 264 H4 NAG 40 H4 NAG 40 8.939 -7.906 12.626 265 H5 NAG 40 H5 NAG 40 6.866 -8.346 10.392 266 H61 NAG 40 H61 NAG 40 7.548 -5.720 11.719 267 H62 NAG 40 H62 NAG 40 6.335 -6.816 12.417 268 H81 NAG 40 H81 NAG 40 11.947 -11.721 7.986 269 H82 NAG 40 H82 NAG 40 13.508 -10.845 8.002 270 H83 NAG 40 H83 NAG 40 13.053 -11.888 9.382 271 HN2 NAG 40 HN2 NAG 40 10.246 -10.963 9.411 272 HO3 NAG 40 HO3 NAG 40 10.446 -9.722 12.804 273 HO4 NAG 40 HO4 NAG 40 6.688 -9.637 12.374 274 HO6 NAG 40 HO6 NAG 40 5.505 -5.209 10.869 Start of MODEL 11 1 H1 ASP 1 H1 ASP 1 -1.948 14.680 -0.533 2 HA ASP 1 HA ASP 1 -0.249 12.948 0.338 3 HB2 ASP 1 HB2 ASP 1 0.444 14.452 2.181 4 HB3 ASP 1 HB3 ASP 1 -1.156 14.284 2.898 5 H VAL 2 H VAL 2 -1.441 11.244 -0.185 6 HA VAL 2 HA VAL 2 -4.190 11.050 0.828 7 HB VAL 2 HB VAL 2 -4.411 9.197 -0.858 8 HG11 VAL 2 HG11 VAL 2 -5.135 10.677 -2.397 9 HG12 VAL 2 HG12 VAL 2 -3.594 11.532 -2.456 10 HG13 VAL 2 HG13 VAL 2 -4.734 11.858 -1.151 11 HG21 VAL 2 HG21 VAL 2 -2.730 8.552 -2.217 12 HG22 VAL 2 HG22 VAL 2 -1.713 9.194 -0.928 13 HG23 VAL 2 HG23 VAL 2 -2.068 10.181 -2.347 14 H ASN 3 H ASN 3 -4.809 9.493 2.214 15 HA ASN 3 HA ASN 3 -2.777 7.905 3.488 16 HB2 ASN 3 HB2 ASN 3 -5.128 9.017 4.344 17 HB3 ASN 3 HB3 ASN 3 -5.579 7.325 4.169 18 HD21 ASN 3 HD21 ASN 3 -5.806 7.956 6.590 19 HD22 ASN 3 HD22 ASN 3 -4.452 7.532 7.577 20 H GLU 4 H GLU 4 -2.054 6.166 2.430 21 HA GLU 4 HA GLU 4 -4.024 4.398 1.139 22 HB2 GLU 4 HB2 GLU 4 -1.048 4.447 0.642 23 HB3 GLU 4 HB3 GLU 4 -2.277 3.618 -0.304 24 HG2 GLU 4 HG2 GLU 4 -2.463 6.569 -0.018 25 HG3 GLU 4 HG3 GLU 4 -1.234 5.898 -1.089 26 H CYS 5 H CYS 5 -1.368 4.563 3.413 27 HA CYS 5 HA CYS 5 -1.626 1.699 3.975 28 HB2 CYS 5 HB2 CYS 5 0.614 3.224 3.713 29 HB3 CYS 5 HB3 CYS 5 0.386 3.253 5.458 30 H ILE 6 H ILE 6 -3.429 1.511 5.227 31 HA ILE 6 HA ILE 6 -3.527 3.106 7.694 32 HB ILE 6 HB ILE 6 -5.804 1.559 6.502 33 HG12 ILE 6 HG12 ILE 6 -5.078 3.292 4.920 34 HG13 ILE 6 HG13 ILE 6 -6.642 3.689 5.625 35 HG21 ILE 6 HG21 ILE 6 -6.182 3.906 8.261 36 HG22 ILE 6 HG22 ILE 6 -5.585 2.423 9.007 37 HG23 ILE 6 HG23 ILE 6 -7.121 2.418 8.137 38 HD11 ILE 6 HD11 ILE 6 -5.136 5.021 7.332 39 HD12 ILE 6 HD12 ILE 6 -5.614 5.708 5.779 40 HD13 ILE 6 HD13 ILE 6 -4.009 5.003 5.975 41 H SER 7 H SER 7 -4.772 -0.069 6.703 42 HA SER 7 HA SER 7 -3.708 -1.170 9.211 43 HB2 SER 7 HB2 SER 7 -6.255 -1.089 8.825 44 HB3 SER 7 HB3 SER 7 -5.983 -2.377 7.652 45 HG SER 7 HG SER 7 -6.332 -3.454 9.498 46 H ASN 8 H ASN 8 -1.850 -1.109 7.375 47 HA ASN 8 HA ASN 8 -0.389 -2.324 6.126 48 HB2 ASN 8 HB2 ASN 8 -0.400 -3.755 8.117 49 HB3 ASN 8 HB3 ASN 8 -1.784 -4.637 7.487 50 HD21 ASN 8 HD21 ASN 8 0.081 -6.221 8.089 51 HD22 ASN 8 HD22 ASN 8 1.023 -6.733 6.743 52 HA PRO 9 HA PRO 9 -3.441 -2.793 2.695 53 HB2 PRO 9 HB2 PRO 9 -0.902 -2.294 1.247 54 HB3 PRO 9 HB3 PRO 9 -2.493 -1.578 0.998 55 HG2 PRO 9 HG2 PRO 9 -0.532 -0.208 2.176 56 HG3 PRO 9 HG3 PRO 9 -2.215 -0.053 2.703 57 HD2 PRO 9 HD2 PRO 9 0.047 -1.504 3.988 58 HD3 PRO 9 HD3 PRO 9 -1.316 -0.646 4.735 59 H CYS 10 H CYS 10 -0.173 -4.126 3.001 60 HA CYS 10 HA CYS 10 -0.372 -6.134 1.070 61 HB2 CYS 10 HB2 CYS 10 1.297 -5.750 3.522 62 HB3 CYS 10 HB3 CYS 10 1.329 -7.309 2.706 63 H GLN 11 H GLN 11 -0.281 -8.549 1.684 64 HA GLN 11 HA GLN 11 -2.332 -9.150 3.705 65 HB2 GLN 11 HB2 GLN 11 -2.384 -9.642 0.820 66 HB3 GLN 11 HB3 GLN 11 -2.719 -11.078 1.775 67 HG2 GLN 11 HG2 GLN 11 -4.140 -8.536 2.405 68 HG3 GLN 11 HG3 GLN 11 -4.648 -9.499 1.018 69 HE21 GLN 11 HE21 GLN 11 -4.561 -9.246 4.446 70 HE22 GLN 11 HE22 GLN 11 -5.519 -10.640 4.794 71 H ASN 12 H ASN 12 0.589 -9.347 3.811 72 HA ASN 12 HA ASN 12 0.738 -12.161 4.557 73 HB2 ASN 12 HB2 ASN 12 2.439 -10.834 2.487 74 HB3 ASN 12 HB3 ASN 12 3.143 -12.092 3.493 75 HD21 ASN 12 HD21 ASN 12 3.058 -12.479 0.872 76 HD22 ASN 12 HD22 ASN 12 1.888 -13.677 0.475 77 H ASP 13 H ASP 13 0.832 -9.293 5.751 78 HA ASP 13 HA ASP 13 1.742 -8.370 7.626 79 HB2 ASP 13 HB2 ASP 13 1.846 -10.909 8.270 80 HB3 ASP 13 HB3 ASP 13 3.574 -10.720 7.988 81 H ALA 14 H ALA 14 2.689 -7.556 5.262 82 HA ALA 14 HA ALA 14 5.593 -7.632 5.282 83 HB1 ALA 14 HB1 ALA 14 3.495 -6.982 3.360 84 HB2 ALA 14 HB2 ALA 14 5.111 -7.637 3.099 85 HB3 ALA 14 HB3 ALA 14 4.885 -5.898 3.289 86 H THR 15 H THR 15 6.650 -5.418 4.732 87 HA THR 15 HA THR 15 5.962 -3.622 6.916 88 HB THR 15 HB THR 15 8.319 -3.643 5.020 89 HG21 THR 15 HG21 THR 15 7.722 -1.900 7.384 90 HG22 THR 15 HG22 THR 15 8.190 -1.424 5.751 91 HG23 THR 15 HG23 THR 15 9.365 -2.197 6.815 92 H CYS 16 H CYS 16 6.009 -1.263 6.548 93 HA CYS 16 HA CYS 16 5.143 -0.473 3.859 94 HB2 CYS 16 HB2 CYS 16 3.107 -0.830 5.166 95 HB3 CYS 16 HB3 CYS 16 3.712 0.236 6.429 96 H LEU 17 H LEU 17 5.342 1.808 3.426 97 HA LEU 17 HA LEU 17 7.011 3.302 5.314 98 HB2 LEU 17 HB2 LEU 17 8.290 2.066 3.394 99 HB3 LEU 17 HB3 LEU 17 7.675 3.373 2.398 100 HG LEU 17 HG LEU 17 9.895 3.938 3.092 101 HD11 LEU 17 HD11 LEU 17 9.519 6.080 3.847 102 HD12 LEU 17 HD12 LEU 17 8.238 5.582 4.951 103 HD13 LEU 17 HD13 LEU 17 7.930 5.643 3.217 104 HD21 LEU 17 HD21 LEU 17 10.531 2.818 4.951 105 HD22 LEU 17 HD22 LEU 17 8.943 2.945 5.707 106 HD23 LEU 17 HD23 LEU 17 10.047 4.319 5.739 107 H ASP 18 H ASP 18 5.232 3.416 2.253 108 HA ASP 18 HA ASP 18 3.936 5.016 1.287 109 HB2 ASP 18 HB2 ASP 18 2.575 4.635 3.289 110 HB3 ASP 18 HB3 ASP 18 3.521 5.830 4.171 111 H GLN 19 H GLN 19 5.174 6.344 0.096 112 HA GLN 19 HA GLN 19 6.170 8.780 1.398 113 HB2 GLN 19 HB2 GLN 19 7.681 6.832 -0.269 114 HB3 GLN 19 HB3 GLN 19 8.038 8.540 -0.484 115 HG2 GLN 19 HG2 GLN 19 7.997 8.128 2.278 116 HG3 GLN 19 HG3 GLN 19 8.857 6.746 1.602 117 HE21 GLN 19 HE21 GLN 19 9.296 9.698 2.858 118 HE22 GLN 19 HE22 GLN 19 10.763 10.159 2.071 119 H ILE 20 H ILE 20 5.412 7.203 -1.678 120 HA ILE 20 HA ILE 20 4.897 9.801 -2.910 121 HB ILE 20 HB ILE 20 4.491 7.262 -4.417 122 HG12 ILE 20 HG12 ILE 20 6.561 6.776 -3.249 123 HG13 ILE 20 HG13 ILE 20 6.926 7.158 -4.928 124 HG21 ILE 20 HG21 ILE 20 5.917 8.877 -6.013 125 HG22 ILE 20 HG22 ILE 20 5.177 10.081 -4.957 126 HG23 ILE 20 HG23 ILE 20 4.161 8.962 -5.867 127 HD11 ILE 20 HD11 ILE 20 7.376 8.847 -2.495 128 HD12 ILE 20 HD12 ILE 20 7.416 9.511 -4.127 129 HD13 ILE 20 HD13 ILE 20 8.558 8.252 -3.660 130 H GLY 21 H GLY 21 2.918 9.735 -4.490 131 HA2 GLY 21 HA2 GLY 21 0.585 9.816 -3.054 132 HA3 GLY 21 HA3 GLY 21 0.643 9.568 -4.792 133 H GLU 22 H GLU 22 2.120 7.002 -4.415 134 HA GLU 22 HA GLU 22 -0.236 5.359 -3.873 135 HB2 GLU 22 HB2 GLU 22 2.366 4.808 -5.293 136 HB3 GLU 22 HB3 GLU 22 1.212 3.538 -4.910 137 HG2 GLU 22 HG2 GLU 22 0.502 5.973 -6.519 138 HG3 GLU 22 HG3 GLU 22 1.090 4.474 -7.236 139 H PHE 23 H PHE 23 0.337 3.117 -2.920 140 HA PHE 23 HA PHE 23 1.702 3.618 -0.399 141 HB2 PHE 23 HB2 PHE 23 0.646 1.567 0.377 142 HB3 PHE 23 HB3 PHE 23 -0.551 2.628 -0.360 143 HD1 PHE 23 HD1 PHE 23 -1.514 2.090 -2.534 144 HD2 PHE 23 HD2 PHE 23 1.207 -0.536 -0.589 145 HE1 PHE 23 HE1 PHE 23 -2.211 0.266 -4.035 146 HE2 PHE 23 HE2 PHE 23 0.519 -2.368 -2.085 147 HZ PHE 23 HZ PHE 23 -1.193 -1.966 -3.811 148 H GLN 24 H GLN 24 3.590 2.727 0.190 149 HA GLN 24 HA GLN 24 4.845 0.852 -1.701 150 HB2 GLN 24 HB2 GLN 24 5.767 3.300 -0.655 151 HB3 GLN 24 HB3 GLN 24 6.720 2.050 0.131 152 HG2 GLN 24 HG2 GLN 24 6.418 2.514 -2.825 153 HG3 GLN 24 HG3 GLN 24 7.858 2.778 -1.843 154 HE21 GLN 24 HE21 GLN 24 8.110 0.573 -0.384 155 HE22 GLN 24 HE22 GLN 24 8.298 -0.827 -1.378 156 H CYS 25 H CYS 25 4.147 -1.070 -0.815 157 HA CYS 25 HA CYS 25 4.852 -1.590 1.989 158 HB2 CYS 25 HB2 CYS 25 2.502 -2.006 1.327 159 HB3 CYS 25 HB3 CYS 25 3.060 -3.184 0.145 160 H ILE 26 H ILE 26 6.650 -2.682 2.380 161 HA ILE 26 HA ILE 26 7.959 -4.146 0.231 162 HB ILE 26 HB ILE 26 8.964 -3.740 3.045 163 HG12 ILE 26 HG12 ILE 26 9.572 -2.040 0.619 164 HG13 ILE 26 HG13 ILE 26 8.433 -1.580 1.879 165 HG21 ILE 26 HG21 ILE 26 11.152 -3.858 1.500 166 HG22 ILE 26 HG22 ILE 26 10.066 -4.873 0.552 167 HG23 ILE 26 HG23 ILE 26 10.407 -5.278 2.233 168 HD11 ILE 26 HD11 ILE 26 10.986 -2.322 2.996 169 HD12 ILE 26 HD12 ILE 26 10.064 -0.829 3.176 170 HD13 ILE 26 HD13 ILE 26 11.147 -1.035 1.799 171 H CYS 27 H CYS 27 7.874 -6.284 0.011 172 HA CYS 27 HA CYS 27 6.883 -7.877 2.283 173 HB2 CYS 27 HB2 CYS 27 6.053 -9.487 0.607 174 HB3 CYS 27 HB3 CYS 27 5.337 -7.893 0.400 175 H MET 28 H MET 28 7.487 -10.372 1.627 176 HA MET 28 HA MET 28 10.169 -10.662 2.299 177 HB2 MET 28 HB2 MET 28 7.951 -12.391 1.651 178 HB3 MET 28 HB3 MET 28 9.438 -13.017 0.951 179 HG2 MET 28 HG2 MET 28 10.231 -12.343 3.474 180 HG3 MET 28 HG3 MET 28 8.575 -12.885 3.736 181 HE1 MET 28 HE1 MET 28 11.748 -13.610 4.174 182 HE2 MET 28 HE2 MET 28 12.335 -14.452 2.740 183 HE3 MET 28 HE3 MET 28 11.901 -15.366 4.185 184 HA PRO 29 HA PRO 29 12.332 -10.444 -1.548 185 HB2 PRO 29 HB2 PRO 29 14.451 -11.989 -1.115 186 HB3 PRO 29 HB3 PRO 29 14.181 -10.531 -0.156 187 HG2 PRO 29 HG2 PRO 29 13.666 -13.390 0.556 188 HG3 PRO 29 HG3 PRO 29 14.336 -12.089 1.556 189 HD2 PRO 29 HD2 PRO 29 11.698 -12.930 1.613 190 HD3 PRO 29 HD3 PRO 29 12.267 -11.342 2.163 191 H GLY 30 H GLY 30 11.037 -11.347 -3.146 192 HA2 GLY 30 HA2 GLY 30 11.383 -12.984 -4.953 193 HA3 GLY 30 HA3 GLY 30 11.549 -14.205 -3.701 194 H TYR 31 H TYR 31 9.118 -11.752 -3.352 195 HA TYR 31 HA TYR 31 7.067 -13.809 -3.654 196 HB2 TYR 31 HB2 TYR 31 7.215 -11.170 -2.266 197 HB3 TYR 31 HB3 TYR 31 5.638 -11.776 -2.752 198 HD1 TYR 31 HD1 TYR 31 8.525 -13.784 -1.562 199 HD2 TYR 31 HD2 TYR 31 4.659 -12.251 -0.662 200 HE1 TYR 31 HE1 TYR 31 8.445 -15.187 0.455 201 HE2 TYR 31 HE2 TYR 31 4.570 -13.651 1.358 202 HH TYR 31 HH TYR 31 5.669 -15.840 2.133 203 H GLU 32 H GLU 32 4.866 -12.694 -4.433 204 HA GLU 32 HA GLU 32 5.293 -10.938 -6.708 205 HB2 GLU 32 HB2 GLU 32 4.464 -13.812 -6.956 206 HB3 GLU 32 HB3 GLU 32 3.920 -12.624 -8.133 207 HG2 GLU 32 HG2 GLU 32 6.665 -12.205 -7.888 208 HG3 GLU 32 HG3 GLU 32 6.459 -13.955 -7.904 209 H GLY 33 H GLY 33 2.983 -10.895 -7.953 210 HA2 GLY 33 HA2 GLY 33 0.607 -10.842 -7.661 211 HA3 GLY 33 HA3 GLY 33 0.858 -10.803 -5.922 212 H VAL 34 H VAL 34 -0.829 -9.032 -6.407 213 HA VAL 34 HA VAL 34 0.351 -6.524 -7.293 214 HB VAL 34 HB VAL 34 -2.443 -7.005 -6.254 215 HG11 VAL 34 HG11 VAL 34 -2.931 -4.866 -6.781 216 HG12 VAL 34 HG12 VAL 34 -1.862 -4.855 -8.182 217 HG13 VAL 34 HG13 VAL 34 -1.196 -4.637 -6.564 218 HG21 VAL 34 HG21 VAL 34 -2.057 -6.637 -9.139 219 HG22 VAL 34 HG22 VAL 34 -3.124 -7.737 -8.266 220 HG23 VAL 34 HG23 VAL 34 -1.428 -8.155 -8.498 221 H TYR 35 H TYR 35 -0.685 -8.116 -4.360 222 HA TYR 35 HA TYR 35 0.275 -5.798 -2.812 223 HB2 TYR 35 HB2 TYR 35 -2.149 -7.480 -2.503 224 HB3 TYR 35 HB3 TYR 35 -1.306 -7.052 -1.020 225 HD1 TYR 35 HD1 TYR 35 -0.749 -4.516 -0.722 226 HD2 TYR 35 HD2 TYR 35 -3.703 -6.006 -3.396 227 HE1 TYR 35 HE1 TYR 35 -1.842 -2.313 -0.733 228 HE2 TYR 35 HE2 TYR 35 -4.804 -3.808 -3.416 229 HH TYR 35 HH TYR 35 -3.339 -1.004 -2.054 230 H CYS 36 H CYS 36 1.711 -8.189 -3.832 231 HA CYS 36 HA CYS 36 3.222 -9.743 -3.136 232 HB2 CYS 36 HB2 CYS 36 3.229 -7.700 -0.955 233 HB3 CYS 36 HB3 CYS 36 4.141 -9.187 -0.724 234 H GLU 37 H GLU 37 0.433 -10.308 -2.677 235 HA GLU 37 HA GLU 37 0.441 -11.805 -0.165 236 HB2 GLU 37 HB2 GLU 37 -1.930 -11.993 -0.418 237 HB3 GLU 37 HB3 GLU 37 -1.494 -10.329 -0.774 238 HG2 GLU 37 HG2 GLU 37 -1.422 -11.777 -3.206 239 HG3 GLU 37 HG3 GLU 37 -2.927 -12.177 -2.378 240 H ILE 38 H ILE 38 2.069 -12.650 -2.422 241 HA ILE 38 HA ILE 38 0.892 -15.317 -2.806 242 HB ILE 38 HB ILE 38 2.458 -13.891 -4.953 243 HG12 ILE 38 HG12 ILE 38 0.299 -12.754 -4.548 244 HG13 ILE 38 HG13 ILE 38 0.345 -13.547 -6.119 245 HG21 ILE 38 HG21 ILE 38 1.611 -15.699 -6.379 246 HG22 ILE 38 HG22 ILE 38 0.818 -16.421 -4.978 247 HG23 ILE 38 HG23 ILE 38 2.577 -16.315 -5.038 248 HD11 ILE 38 HD11 ILE 38 -0.818 -14.988 -3.787 249 HD12 ILE 38 HD12 ILE 38 -1.182 -15.145 -5.505 250 HD13 ILE 38 HD13 ILE 38 -1.758 -13.740 -4.606 251 H1 FUC 39 H1 FUC 39 10.364 -3.916 6.384 252 H2 FUC 39 H2 FUC 39 11.458 -5.733 7.604 253 H3 FUC 39 H3 FUC 39 8.638 -6.558 8.432 254 H4 FUC 39 H4 FUC 39 9.008 -8.557 7.109 255 H5 FUC 39 H5 FUC 39 8.020 -6.616 5.957 256 H61 FUC 39 H61 FUC 39 8.434 -8.617 4.556 257 H62 FUC 39 H62 FUC 39 10.092 -8.035 4.207 258 H63 FUC 39 H63 FUC 39 8.677 -7.114 3.612 259 HO2 FUC 39 HO2 FUC 39 10.731 -5.042 9.702 260 HO4 FUC 39 HO4 FUC 39 11.327 -8.593 7.328 261 H1 NAG 40 H1 NAG 40 8.914 -8.882 9.569 262 H2 NAG 40 H2 NAG 40 11.009 -8.019 11.648 263 H3 NAG 40 H3 NAG 40 8.965 -10.306 11.779 264 H4 NAG 40 H4 NAG 40 9.022 -7.673 13.355 265 H5 NAG 40 H5 NAG 40 7.113 -8.567 11.109 266 H61 NAG 40 H61 NAG 40 7.015 -5.769 11.560 267 H62 NAG 40 H62 NAG 40 6.895 -6.548 13.155 268 H81 NAG 40 H81 NAG 40 13.649 -11.289 10.439 269 H82 NAG 40 H82 NAG 40 12.769 -11.116 8.892 270 H83 NAG 40 H83 NAG 40 14.237 -10.143 9.199 271 HN2 NAG 40 HN2 NAG 40 10.875 -10.664 10.339 272 HO3 NAG 40 HO3 NAG 40 10.640 -9.195 13.798 273 HO4 NAG 40 HO4 NAG 40 6.924 -9.579 13.133 274 HO6 NAG 40 HO6 NAG 40 5.360 -7.504 10.958 Start of MODEL 12 1 H1 ASP 1 H1 ASP 1 -10.811 9.546 -0.367 2 HA ASP 1 HA ASP 1 -12.505 7.956 0.884 3 HB2 ASP 1 HB2 ASP 1 -12.237 5.648 0.060 4 HB3 ASP 1 HB3 ASP 1 -12.965 6.694 -1.157 5 H VAL 2 H VAL 2 -9.252 8.056 -0.391 6 HA VAL 2 HA VAL 2 -7.214 7.763 0.578 7 HB VAL 2 HB VAL 2 -8.663 7.821 3.226 8 HG11 VAL 2 HG11 VAL 2 -6.644 8.189 4.223 9 HG12 VAL 2 HG12 VAL 2 -5.947 8.947 2.792 10 HG13 VAL 2 HG13 VAL 2 -6.117 7.192 2.866 11 HG21 VAL 2 HG21 VAL 2 -8.119 9.955 1.260 12 HG22 VAL 2 HG22 VAL 2 -7.739 10.332 2.940 13 HG23 VAL 2 HG23 VAL 2 -9.373 9.839 2.495 14 H ASN 3 H ASN 3 -7.120 5.628 -0.303 15 HA ASN 3 HA ASN 3 -7.263 3.544 1.769 16 HB2 ASN 3 HB2 ASN 3 -9.085 3.518 -0.110 17 HB3 ASN 3 HB3 ASN 3 -7.784 2.881 -1.110 18 HD21 ASN 3 HD21 ASN 3 -10.225 1.585 -0.307 19 HD22 ASN 3 HD22 ASN 3 -9.769 0.169 0.570 20 H GLU 4 H GLU 4 -4.953 4.856 1.440 21 HA GLU 4 HA GLU 4 -3.287 3.425 -0.467 22 HB2 GLU 4 HB2 GLU 4 -2.681 5.653 1.479 23 HB3 GLU 4 HB3 GLU 4 -1.479 4.921 0.425 24 HG2 GLU 4 HG2 GLU 4 -2.106 6.167 -1.295 25 HG3 GLU 4 HG3 GLU 4 -3.803 5.748 -1.066 26 H CYS 5 H CYS 5 -2.652 4.282 2.915 27 HA CYS 5 HA CYS 5 -2.125 1.478 3.535 28 HB2 CYS 5 HB2 CYS 5 -0.001 2.757 2.784 29 HB3 CYS 5 HB3 CYS 5 -0.119 3.543 4.351 30 H ILE 6 H ILE 6 -3.643 1.233 5.072 31 HA ILE 6 HA ILE 6 -3.580 3.102 7.344 32 HB ILE 6 HB ILE 6 -6.002 1.555 6.485 33 HG12 ILE 6 HG12 ILE 6 -5.369 3.154 4.721 34 HG13 ILE 6 HG13 ILE 6 -6.864 3.630 5.522 35 HG21 ILE 6 HG21 ILE 6 -5.487 2.636 8.882 36 HG22 ILE 6 HG22 ILE 6 -7.108 2.526 8.197 37 HG23 ILE 6 HG23 ILE 6 -6.198 4.031 8.070 38 HD11 ILE 6 HD11 ILE 6 -5.573 5.586 5.209 39 HD12 ILE 6 HD12 ILE 6 -4.130 4.820 5.873 40 HD13 ILE 6 HD13 ILE 6 -5.496 5.190 6.925 41 H SER 7 H SER 7 -4.938 -0.106 6.645 42 HA SER 7 HA SER 7 -3.791 -1.049 9.180 43 HB2 SER 7 HB2 SER 7 -6.361 -1.056 8.725 44 HB3 SER 7 HB3 SER 7 -6.005 -2.477 7.742 45 HG SER 7 HG SER 7 -5.152 -2.214 10.429 46 H ASN 8 H ASN 8 -1.932 -1.057 7.352 47 HA ASN 8 HA ASN 8 -0.433 -2.316 6.194 48 HB2 ASN 8 HB2 ASN 8 -0.452 -3.660 8.237 49 HB3 ASN 8 HB3 ASN 8 -1.834 -4.571 7.643 50 HD21 ASN 8 HD21 ASN 8 0.021 -6.127 8.329 51 HD22 ASN 8 HD22 ASN 8 0.970 -6.704 7.014 52 HA PRO 9 HA PRO 9 -3.337 -3.123 2.737 53 HB2 PRO 9 HB2 PRO 9 -1.455 -2.563 0.815 54 HB3 PRO 9 HB3 PRO 9 -2.504 -1.353 1.561 55 HG2 PRO 9 HG2 PRO 9 0.336 -2.048 2.184 56 HG3 PRO 9 HG3 PRO 9 -0.437 -0.454 2.104 57 HD2 PRO 9 HD2 PRO 9 0.079 -1.670 4.448 58 HD3 PRO 9 HD3 PRO 9 -1.359 -0.655 4.216 59 H CYS 10 H CYS 10 0.039 -4.170 3.038 60 HA CYS 10 HA CYS 10 -0.009 -6.240 1.169 61 HB2 CYS 10 HB2 CYS 10 1.637 -5.649 3.592 62 HB3 CYS 10 HB3 CYS 10 1.784 -7.232 2.837 63 H GLN 11 H GLN 11 -0.467 -8.420 1.286 64 HA GLN 11 HA GLN 11 -2.165 -9.209 3.553 65 HB2 GLN 11 HB2 GLN 11 -2.291 -9.652 0.651 66 HB3 GLN 11 HB3 GLN 11 -2.628 -11.084 1.613 67 HG2 GLN 11 HG2 GLN 11 -4.003 -8.463 2.098 68 HG3 GLN 11 HG3 GLN 11 -4.602 -9.651 0.941 69 HE21 GLN 11 HE21 GLN 11 -3.998 -8.974 4.307 70 HE22 GLN 11 HE22 GLN 11 -4.997 -10.232 4.944 71 H ASN 12 H ASN 12 0.769 -9.375 3.544 72 HA ASN 12 HA ASN 12 0.953 -12.197 4.235 73 HB2 ASN 12 HB2 ASN 12 2.388 -10.923 1.982 74 HB3 ASN 12 HB3 ASN 12 3.348 -11.980 3.010 75 HD21 ASN 12 HD21 ASN 12 3.057 -12.659 0.472 76 HD22 ASN 12 HD22 ASN 12 2.007 -14.014 0.319 77 H ASP 13 H ASP 13 1.161 -9.325 5.425 78 HA ASP 13 HA ASP 13 2.168 -8.449 7.270 79 HB2 ASP 13 HB2 ASP 13 2.399 -11.091 7.730 80 HB3 ASP 13 HB3 ASP 13 4.105 -10.676 7.597 81 H ALA 14 H ALA 14 2.967 -7.281 5.172 82 HA ALA 14 HA ALA 14 5.899 -7.373 5.086 83 HB1 ALA 14 HB1 ALA 14 3.916 -7.265 3.047 84 HB2 ALA 14 HB2 ALA 14 5.667 -7.381 2.882 85 HB3 ALA 14 HB3 ALA 14 4.892 -5.799 2.969 86 H THR 15 H THR 15 6.760 -5.088 4.321 87 HA THR 15 HA THR 15 5.923 -3.226 6.395 88 HB THR 15 HB THR 15 8.277 -3.240 4.500 89 HG21 THR 15 HG21 THR 15 7.552 -1.222 6.601 90 HG22 THR 15 HG22 THR 15 7.876 -0.943 4.890 91 HG23 THR 15 HG23 THR 15 9.185 -1.429 5.966 92 H CYS 16 H CYS 16 5.717 -0.909 5.877 93 HA CYS 16 HA CYS 16 4.841 -0.341 3.144 94 HB2 CYS 16 HB2 CYS 16 2.807 -0.988 4.334 95 HB3 CYS 16 HB3 CYS 16 3.157 0.182 5.602 96 H LEU 17 H LEU 17 6.951 0.769 3.286 97 HA LEU 17 HA LEU 17 7.424 2.923 5.030 98 HB2 LEU 17 HB2 LEU 17 8.688 1.732 2.734 99 HB3 LEU 17 HB3 LEU 17 8.738 3.479 2.602 100 HG LEU 17 HG LEU 17 9.612 2.129 5.132 101 HD11 LEU 17 HD11 LEU 17 11.678 2.829 3.143 102 HD12 LEU 17 HD12 LEU 17 10.744 1.368 2.825 103 HD13 LEU 17 HD13 LEU 17 11.639 1.531 4.336 104 HD21 LEU 17 HD21 LEU 17 11.177 4.201 4.976 105 HD22 LEU 17 HD22 LEU 17 9.498 4.409 5.473 106 HD23 LEU 17 HD23 LEU 17 9.983 4.788 3.820 107 H ASP 18 H ASP 18 5.503 4.141 5.118 108 HA ASP 18 HA ASP 18 4.387 5.350 2.776 109 HB2 ASP 18 HB2 ASP 18 3.530 4.925 5.388 110 HB3 ASP 18 HB3 ASP 18 3.709 6.674 5.281 111 H GLN 19 H GLN 19 5.214 7.015 1.722 112 HA GLN 19 HA GLN 19 6.338 9.261 3.179 113 HB2 GLN 19 HB2 GLN 19 7.922 7.628 1.200 114 HB3 GLN 19 HB3 GLN 19 8.351 9.277 1.633 115 HG2 GLN 19 HG2 GLN 19 8.109 8.143 4.082 116 HG3 GLN 19 HG3 GLN 19 8.693 6.782 3.126 117 HE21 GLN 19 HE21 GLN 19 9.508 9.655 4.715 118 HE22 GLN 19 HE22 GLN 19 11.163 9.743 4.227 119 H ILE 20 H ILE 20 5.735 7.852 -0.013 120 HA ILE 20 HA ILE 20 5.243 10.495 -1.137 121 HB ILE 20 HB ILE 20 5.028 7.852 -2.571 122 HG12 ILE 20 HG12 ILE 20 7.256 8.028 -1.558 123 HG13 ILE 20 HG13 ILE 20 7.347 8.198 -3.309 124 HG21 ILE 20 HG21 ILE 20 4.054 9.481 -3.909 125 HG22 ILE 20 HG22 ILE 20 5.715 9.425 -4.498 126 HG23 ILE 20 HG23 ILE 20 5.207 10.719 -3.413 127 HD11 ILE 20 HD11 ILE 20 8.690 9.916 -2.747 128 HD12 ILE 20 HD12 ILE 20 7.920 10.152 -1.179 129 HD13 ILE 20 HD13 ILE 20 7.153 10.774 -2.640 130 H GLY 21 H GLY 21 3.282 10.850 -2.458 131 HA2 GLY 21 HA2 GLY 21 0.941 10.608 -1.044 132 HA3 GLY 21 HA3 GLY 21 1.006 10.838 -2.784 133 H GLU 22 H GLU 22 2.418 8.222 -3.104 134 HA GLU 22 HA GLU 22 0.011 6.567 -3.061 135 HB2 GLU 22 HB2 GLU 22 2.644 5.869 -4.350 136 HB3 GLU 22 HB3 GLU 22 1.055 5.209 -4.705 137 HG2 GLU 22 HG2 GLU 22 1.818 8.074 -5.196 138 HG3 GLU 22 HG3 GLU 22 1.950 6.799 -6.407 139 H PHE 23 H PHE 23 0.328 4.205 -2.579 140 HA PHE 23 HA PHE 23 1.745 3.968 -0.054 141 HB2 PHE 23 HB2 PHE 23 0.500 1.901 0.247 142 HB3 PHE 23 HB3 PHE 23 -0.592 3.203 -0.212 143 HD1 PHE 23 HD1 PHE 23 1.081 0.145 -1.356 144 HD2 PHE 23 HD2 PHE 23 -1.789 3.151 -2.262 145 HE1 PHE 23 HE1 PHE 23 0.238 -1.230 -3.218 146 HE2 PHE 23 HE2 PHE 23 -2.641 1.783 -4.126 147 HZ PHE 23 HZ PHE 23 -1.627 -0.411 -4.605 148 H GLN 24 H GLN 24 3.584 2.876 0.244 149 HA GLN 24 HA GLN 24 4.568 1.209 -1.979 150 HB2 GLN 24 HB2 GLN 24 6.245 2.815 -0.046 151 HB3 GLN 24 HB3 GLN 24 6.827 1.892 -1.425 152 HG2 GLN 24 HG2 GLN 24 5.239 3.467 -2.772 153 HG3 GLN 24 HG3 GLN 24 5.402 4.504 -1.357 154 HE21 GLN 24 HE21 GLN 24 7.361 2.627 -3.636 155 HE22 GLN 24 HE22 GLN 24 8.666 3.756 -3.713 156 H CYS 25 H CYS 25 3.926 -0.767 -1.205 157 HA CYS 25 HA CYS 25 4.689 -1.539 1.506 158 HB2 CYS 25 HB2 CYS 25 2.427 -2.065 0.180 159 HB3 CYS 25 HB3 CYS 25 3.362 -3.463 -0.336 160 H ILE 26 H ILE 26 6.419 -2.748 1.946 161 HA ILE 26 HA ILE 26 8.071 -3.676 -0.264 162 HB ILE 26 HB ILE 26 8.710 -3.864 2.676 163 HG12 ILE 26 HG12 ILE 26 9.324 -1.606 0.754 164 HG13 ILE 26 HG13 ILE 26 8.195 -1.528 2.104 165 HG21 ILE 26 HG21 ILE 26 10.037 -5.214 1.046 166 HG22 ILE 26 HG22 ILE 26 10.983 -4.050 1.972 167 HG23 ILE 26 HG23 ILE 26 10.550 -3.701 0.298 168 HD11 ILE 26 HD11 ILE 26 10.761 -2.399 3.029 169 HD12 ILE 26 HD12 ILE 26 9.827 -0.974 3.486 170 HD13 ILE 26 HD13 ILE 26 10.920 -0.906 2.103 171 H CYS 27 H CYS 27 8.022 -5.692 -0.976 172 HA CYS 27 HA CYS 27 6.547 -7.718 0.459 173 HB2 CYS 27 HB2 CYS 27 7.570 -7.339 -2.268 174 HB3 CYS 27 HB3 CYS 27 7.651 -9.001 -1.699 175 H MET 28 H MET 28 7.580 -10.017 0.355 176 HA MET 28 HA MET 28 9.936 -9.912 2.005 177 HB2 MET 28 HB2 MET 28 7.839 -11.821 1.406 178 HB3 MET 28 HB3 MET 28 9.420 -12.590 1.356 179 HG2 MET 28 HG2 MET 28 9.642 -11.173 3.637 180 HG3 MET 28 HG3 MET 28 7.911 -11.503 3.630 181 HE1 MET 28 HE1 MET 28 11.252 -14.157 4.850 182 HE2 MET 28 HE2 MET 28 10.432 -12.928 5.813 183 HE3 MET 28 HE3 MET 28 11.282 -12.470 4.337 184 HA PRO 29 HA PRO 29 13.038 -10.917 -0.968 185 HB2 PRO 29 HB2 PRO 29 14.463 -12.927 0.106 186 HB3 PRO 29 HB3 PRO 29 14.493 -11.291 0.770 187 HG2 PRO 29 HG2 PRO 29 12.944 -13.680 1.699 188 HG3 PRO 29 HG3 PRO 29 13.840 -12.486 2.658 189 HD2 PRO 29 HD2 PRO 29 11.144 -12.403 2.349 190 HD3 PRO 29 HD3 PRO 29 12.132 -10.945 2.564 191 H GLY 30 H GLY 30 11.335 -11.691 -2.479 192 HA2 GLY 30 HA2 GLY 30 11.407 -13.316 -4.274 193 HA3 GLY 30 HA3 GLY 30 11.761 -14.549 -3.072 194 H TYR 31 H TYR 31 9.238 -12.065 -3.535 195 HA TYR 31 HA TYR 31 7.238 -14.168 -3.028 196 HB2 TYR 31 HB2 TYR 31 7.516 -11.413 -1.991 197 HB3 TYR 31 HB3 TYR 31 5.888 -11.889 -2.456 198 HD1 TYR 31 HD1 TYR 31 8.583 -13.959 -0.936 199 HD2 TYR 31 HD2 TYR 31 4.765 -12.153 -0.425 200 HE1 TYR 31 HE1 TYR 31 8.322 -15.132 1.209 201 HE2 TYR 31 HE2 TYR 31 4.493 -13.321 1.721 202 HH TYR 31 HH TYR 31 6.303 -14.320 3.516 203 H GLU 32 H GLU 32 4.955 -13.024 -3.778 204 HA GLU 32 HA GLU 32 5.309 -11.904 -6.456 205 HB2 GLU 32 HB2 GLU 32 3.708 -14.402 -5.869 206 HB3 GLU 32 HB3 GLU 32 3.696 -13.535 -7.399 207 HG2 GLU 32 HG2 GLU 32 6.239 -14.598 -6.230 208 HG3 GLU 32 HG3 GLU 32 5.168 -15.614 -7.193 209 H GLY 33 H GLY 33 2.853 -11.723 -7.391 210 HA2 GLY 33 HA2 GLY 33 0.722 -10.851 -7.103 211 HA3 GLY 33 HA3 GLY 33 0.936 -10.986 -5.365 212 H VAL 34 H VAL 34 -0.317 -8.799 -6.178 213 HA VAL 34 HA VAL 34 1.595 -6.640 -6.555 214 HB VAL 34 HB VAL 34 -1.395 -6.420 -6.215 215 HG11 VAL 34 HG11 VAL 34 0.764 -4.544 -7.114 216 HG12 VAL 34 HG12 VAL 34 -0.489 -4.297 -5.898 217 HG13 VAL 34 HG13 VAL 34 -0.913 -4.313 -7.610 218 HG21 VAL 34 HG21 VAL 34 -1.215 -6.113 -8.796 219 HG22 VAL 34 HG22 VAL 34 -1.266 -7.737 -8.109 220 HG23 VAL 34 HG23 VAL 34 0.274 -7.042 -8.614 221 H TYR 35 H TYR 35 -0.879 -7.597 -4.184 222 HA TYR 35 HA TYR 35 0.236 -5.680 -2.272 223 HB2 TYR 35 HB2 TYR 35 -2.385 -7.009 -2.626 224 HB3 TYR 35 HB3 TYR 35 -1.869 -6.766 -0.962 225 HD1 TYR 35 HD1 TYR 35 -0.451 -4.178 -1.170 226 HD2 TYR 35 HD2 TYR 35 -4.103 -5.466 -2.934 227 HE1 TYR 35 HE1 TYR 35 -1.215 -1.843 -1.281 228 HE2 TYR 35 HE2 TYR 35 -4.875 -3.135 -3.051 229 HH TYR 35 HH TYR 35 -3.593 -0.773 -3.155 230 H CYS 36 H CYS 36 1.577 -8.204 -3.041 231 HA CYS 36 HA CYS 36 2.656 -9.973 -2.102 232 HB2 CYS 36 HB2 CYS 36 2.918 -7.763 -0.394 233 HB3 CYS 36 HB3 CYS 36 2.578 -9.128 0.661 234 H GLU 37 H GLU 37 1.289 -11.675 -2.312 235 HA GLU 37 HA GLU 37 0.172 -12.791 0.048 236 HB2 GLU 37 HB2 GLU 37 -1.623 -11.230 -0.315 237 HB3 GLU 37 HB3 GLU 37 -1.735 -11.672 -2.012 238 HG2 GLU 37 HG2 GLU 37 -3.547 -12.624 -0.664 239 HG3 GLU 37 HG3 GLU 37 -2.557 -13.863 -1.431 240 H ILE 38 H ILE 38 0.270 -12.770 -3.480 241 HA ILE 38 HA ILE 38 -0.212 -15.636 -3.604 242 HB ILE 38 HB ILE 38 0.490 -13.818 -5.903 243 HG12 ILE 38 HG12 ILE 38 -1.472 -12.922 -4.708 244 HG13 ILE 38 HG13 ILE 38 -1.910 -13.549 -6.293 245 HG21 ILE 38 HG21 ILE 38 0.387 -16.501 -5.858 246 HG22 ILE 38 HG22 ILE 38 -0.028 -15.535 -7.274 247 HG23 ILE 38 HG23 ILE 38 -1.302 -16.140 -6.215 248 HD11 ILE 38 HD11 ILE 38 -2.889 -15.488 -5.344 249 HD12 ILE 38 HD12 ILE 38 -3.498 -14.096 -4.446 250 HD13 ILE 38 HD13 ILE 38 -2.236 -15.112 -3.749 251 H1 FUC 39 H1 FUC 39 10.305 -3.210 5.744 252 H2 FUC 39 H2 FUC 39 11.572 -4.576 7.337 253 H3 FUC 39 H3 FUC 39 8.844 -5.313 8.484 254 H4 FUC 39 H4 FUC 39 9.315 -7.564 7.736 255 H5 FUC 39 H5 FUC 39 8.158 -6.073 6.150 256 H61 FUC 39 H61 FUC 39 8.777 -7.130 3.989 257 H62 FUC 39 H62 FUC 39 10.279 -7.764 4.730 258 H63 FUC 39 H63 FUC 39 8.684 -8.345 5.302 259 HO2 FUC 39 HO2 FUC 39 10.869 -3.397 9.215 260 HO4 FUC 39 HO4 FUC 39 11.636 -7.399 7.838 261 H1 NAG 40 H1 NAG 40 9.222 -7.055 10.298 262 H2 NAG 40 H2 NAG 40 11.473 -5.624 11.827 263 H3 NAG 40 H3 NAG 40 9.426 -7.673 12.845 264 H4 NAG 40 H4 NAG 40 9.629 -4.673 13.460 265 H5 NAG 40 H5 NAG 40 7.542 -6.187 11.774 266 H61 NAG 40 H61 NAG 40 7.585 -3.536 12.990 267 H62 NAG 40 H62 NAG 40 7.426 -3.447 11.221 268 H81 NAG 40 H81 NAG 40 13.306 -9.733 12.252 269 H82 NAG 40 H82 NAG 40 14.731 -8.799 11.708 270 H83 NAG 40 H83 NAG 40 13.497 -9.320 10.522 271 HN2 NAG 40 HN2 NAG 40 11.246 -8.393 10.897 272 HO3 NAG 40 HO3 NAG 40 11.312 -6.038 14.226 273 HO4 NAG 40 HO4 NAG 40 7.452 -6.404 14.007 274 HO6 NAG 40 HO6 NAG 40 5.418 -4.057 11.497 Start of MODEL 13 1 H1 ASP 1 H1 ASP 1 -2.862 12.484 6.988 2 HA ASP 1 HA ASP 1 -0.716 10.792 6.361 3 HB2 ASP 1 HB2 ASP 1 -1.452 11.596 8.663 4 HB3 ASP 1 HB3 ASP 1 -2.665 10.321 8.615 5 H VAL 2 H VAL 2 -4.176 10.309 6.225 6 HA VAL 2 HA VAL 2 -3.879 7.462 5.688 7 HB VAL 2 HB VAL 2 -6.355 7.454 5.544 8 HG11 VAL 2 HG11 VAL 2 -5.879 8.879 8.080 9 HG12 VAL 2 HG12 VAL 2 -4.811 7.515 7.751 10 HG13 VAL 2 HG13 VAL 2 -6.558 7.278 7.784 11 HG21 VAL 2 HG21 VAL 2 -6.401 9.905 4.778 12 HG22 VAL 2 HG22 VAL 2 -6.311 10.300 6.494 13 HG23 VAL 2 HG23 VAL 2 -7.668 9.357 5.875 14 H ASN 3 H ASN 3 -4.437 6.467 3.750 15 HA ASN 3 HA ASN 3 -5.474 7.845 1.506 16 HB2 ASN 3 HB2 ASN 3 -3.033 8.710 1.761 17 HB3 ASN 3 HB3 ASN 3 -2.581 7.132 1.126 18 HD21 ASN 3 HD21 ASN 3 -2.161 9.714 -0.061 19 HD22 ASN 3 HD22 ASN 3 -2.983 9.704 -1.581 20 H GLU 4 H GLU 4 -2.960 5.345 1.925 21 HA GLU 4 HA GLU 4 -4.850 3.377 0.837 22 HB2 GLU 4 HB2 GLU 4 -2.092 4.024 -0.125 23 HB3 GLU 4 HB3 GLU 4 -2.691 2.377 -0.266 24 HG2 GLU 4 HG2 GLU 4 -4.194 4.744 -1.338 25 HG3 GLU 4 HG3 GLU 4 -2.988 3.868 -2.280 26 H CYS 5 H CYS 5 -1.817 3.909 2.579 27 HA CYS 5 HA CYS 5 -1.914 1.228 3.698 28 HB2 CYS 5 HB2 CYS 5 0.198 2.639 2.951 29 HB3 CYS 5 HB3 CYS 5 0.077 3.246 4.598 30 H ILE 6 H ILE 6 -3.663 1.205 5.070 31 HA ILE 6 HA ILE 6 -3.415 2.904 7.457 32 HB ILE 6 HB ILE 6 -6.050 2.012 6.339 33 HG12 ILE 6 HG12 ILE 6 -5.000 3.504 4.711 34 HG13 ILE 6 HG13 ILE 6 -6.341 4.319 5.513 35 HG21 ILE 6 HG21 ILE 6 -6.191 2.483 8.656 36 HG22 ILE 6 HG22 ILE 6 -6.867 3.877 7.815 37 HG23 ILE 6 HG23 ILE 6 -5.237 3.956 8.482 38 HD11 ILE 6 HD11 ILE 6 -3.769 5.273 5.202 39 HD12 ILE 6 HD12 ILE 6 -3.839 4.766 6.889 40 HD13 ILE 6 HD13 ILE 6 -5.014 5.925 6.268 41 H SER 7 H SER 7 -5.364 0.138 6.376 42 HA SER 7 HA SER 7 -4.865 -1.149 8.954 43 HB2 SER 7 HB2 SER 7 -7.196 -1.034 8.451 44 HB3 SER 7 HB3 SER 7 -6.938 -1.628 6.811 45 HG SER 7 HG SER 7 -7.287 -3.522 7.631 46 H ASN 8 H ASN 8 -2.629 -1.244 7.583 47 HA ASN 8 HA ASN 8 -1.039 -2.573 6.637 48 HB2 ASN 8 HB2 ASN 8 -1.529 -3.912 8.633 49 HB3 ASN 8 HB3 ASN 8 -2.807 -4.752 7.766 50 HD21 ASN 8 HD21 ASN 8 -1.206 -6.405 8.773 51 HD22 ASN 8 HD22 ASN 8 -0.041 -7.018 7.663 52 HA PRO 9 HA PRO 9 -3.399 -3.178 2.728 53 HB2 PRO 9 HB2 PRO 9 -1.194 -2.626 1.167 54 HB3 PRO 9 HB3 PRO 9 -2.362 -1.421 1.717 55 HG2 PRO 9 HG2 PRO 9 0.324 -2.108 2.829 56 HG3 PRO 9 HG3 PRO 9 -0.444 -0.521 2.648 57 HD2 PRO 9 HD2 PRO 9 -0.324 -1.784 5.021 58 HD3 PRO 9 HD3 PRO 9 -1.714 -0.778 4.565 59 H CYS 10 H CYS 10 0.057 -4.072 2.925 60 HA CYS 10 HA CYS 10 0.008 -6.243 1.238 61 HB2 CYS 10 HB2 CYS 10 1.710 -5.496 3.574 62 HB3 CYS 10 HB3 CYS 10 1.891 -7.106 2.883 63 H GLN 11 H GLN 11 -0.712 -8.280 1.313 64 HA GLN 11 HA GLN 11 -2.186 -9.107 3.696 65 HB2 GLN 11 HB2 GLN 11 -2.279 -9.791 0.802 66 HB3 GLN 11 HB3 GLN 11 -2.789 -11.026 1.945 67 HG2 GLN 11 HG2 GLN 11 -3.896 -8.241 2.020 68 HG3 GLN 11 HG3 GLN 11 -4.573 -9.492 0.978 69 HE21 GLN 11 HE21 GLN 11 -6.535 -9.487 2.059 70 HE22 GLN 11 HE22 GLN 11 -6.723 -10.160 3.639 71 H ASN 12 H ASN 12 0.745 -9.224 3.644 72 HA ASN 12 HA ASN 12 0.990 -12.016 4.413 73 HB2 ASN 12 HB2 ASN 12 2.360 -10.812 2.072 74 HB3 ASN 12 HB3 ASN 12 3.312 -11.888 3.087 75 HD21 ASN 12 HD21 ASN 12 2.861 -12.545 0.533 76 HD22 ASN 12 HD22 ASN 12 1.784 -13.884 0.450 77 H ASP 13 H ASP 13 1.280 -9.047 5.424 78 HA ASP 13 HA ASP 13 2.382 -8.070 7.158 79 HB2 ASP 13 HB2 ASP 13 2.364 -10.481 8.042 80 HB3 ASP 13 HB3 ASP 13 4.028 -10.577 7.473 81 H ALA 14 H ALA 14 3.191 -6.979 5.109 82 HA ALA 14 HA ALA 14 6.091 -7.329 4.820 83 HB1 ALA 14 HB1 ALA 14 4.972 -5.636 2.807 84 HB2 ALA 14 HB2 ALA 14 4.028 -7.122 2.921 85 HB3 ALA 14 HB3 ALA 14 5.765 -7.202 2.631 86 H THR 15 H THR 15 7.067 -5.102 3.967 87 HA THR 15 HA THR 15 6.595 -3.212 6.128 88 HB THR 15 HB THR 15 8.721 -3.294 3.977 89 HG21 THR 15 HG21 THR 15 8.961 -1.121 4.500 90 HG22 THR 15 HG22 THR 15 9.813 -1.785 5.893 91 HG23 THR 15 HG23 THR 15 8.130 -1.284 6.046 92 H CYS 16 H CYS 16 5.871 -1.140 5.882 93 HA CYS 16 HA CYS 16 5.208 -0.232 3.169 94 HB2 CYS 16 HB2 CYS 16 3.163 -1.172 4.136 95 HB3 CYS 16 HB3 CYS 16 3.344 -0.140 5.550 96 H LEU 17 H LEU 17 6.869 1.262 3.176 97 HA LEU 17 HA LEU 17 7.337 3.061 5.334 98 HB2 LEU 17 HB2 LEU 17 8.327 2.763 2.544 99 HB3 LEU 17 HB3 LEU 17 8.557 4.313 3.331 100 HG LEU 17 HG LEU 17 9.495 2.659 5.257 101 HD11 LEU 17 HD11 LEU 17 10.757 1.380 2.922 102 HD12 LEU 17 HD12 LEU 17 9.114 0.861 3.297 103 HD13 LEU 17 HD13 LEU 17 10.382 0.725 4.516 104 HD21 LEU 17 HD21 LEU 17 10.573 4.661 4.248 105 HD22 LEU 17 HD22 LEU 17 11.135 3.639 2.925 106 HD23 LEU 17 HD23 LEU 17 11.691 3.336 4.572 107 H ASP 18 H ASP 18 6.272 4.848 5.847 108 HA ASP 18 HA ASP 18 4.021 5.745 4.399 109 HB2 ASP 18 HB2 ASP 18 4.341 6.026 6.858 110 HB3 ASP 18 HB3 ASP 18 5.563 7.249 6.523 111 H GLN 19 H GLN 19 4.097 6.738 2.498 112 HA GLN 19 HA GLN 19 6.169 8.791 2.076 113 HB2 GLN 19 HB2 GLN 19 5.883 6.450 0.638 114 HB3 GLN 19 HB3 GLN 19 5.046 7.629 -0.362 115 HG2 GLN 19 HG2 GLN 19 7.413 8.881 0.408 116 HG3 GLN 19 HG3 GLN 19 7.867 7.220 0.028 117 HE21 GLN 19 HE21 GLN 19 5.994 6.683 -1.958 118 HE22 GLN 19 HE22 GLN 19 6.359 7.650 -3.342 119 H ILE 20 H ILE 20 5.556 10.500 0.541 120 HA ILE 20 HA ILE 20 2.801 11.317 1.013 121 HB ILE 20 HB ILE 20 5.012 12.897 -0.301 122 HG12 ILE 20 HG12 ILE 20 4.171 13.469 2.487 123 HG13 ILE 20 HG13 ILE 20 5.150 12.027 2.244 124 HG21 ILE 20 HG21 ILE 20 2.923 13.854 -0.845 125 HG22 ILE 20 HG22 ILE 20 3.569 14.821 0.479 126 HG23 ILE 20 HG23 ILE 20 2.309 13.628 0.791 127 HD11 ILE 20 HD11 ILE 20 6.557 13.896 2.799 128 HD12 ILE 20 HD12 ILE 20 5.880 14.842 1.473 129 HD13 ILE 20 HD13 ILE 20 6.853 13.411 1.130 130 H GLY 21 H GLY 21 1.609 10.077 -0.429 131 HA2 GLY 21 HA2 GLY 21 0.771 10.933 -2.775 132 HA3 GLY 21 HA3 GLY 21 2.295 10.213 -3.270 133 H GLU 22 H GLU 22 2.606 7.904 -2.743 134 HA GLU 22 HA GLU 22 0.043 6.451 -2.703 135 HB2 GLU 22 HB2 GLU 22 2.517 5.669 -4.255 136 HB3 GLU 22 HB3 GLU 22 0.972 4.830 -4.256 137 HG2 GLU 22 HG2 GLU 22 -0.066 6.865 -5.231 138 HG3 GLU 22 HG3 GLU 22 1.545 7.571 -5.353 139 H PHE 23 H PHE 23 0.626 3.962 -2.351 140 HA PHE 23 HA PHE 23 2.095 3.898 0.171 141 HB2 PHE 23 HB2 PHE 23 0.927 1.824 0.625 142 HB3 PHE 23 HB3 PHE 23 -0.230 3.057 0.136 143 HD1 PHE 23 HD1 PHE 23 -1.209 2.994 -2.130 144 HD2 PHE 23 HD2 PHE 23 1.237 -0.146 -0.632 145 HE1 PHE 23 HE1 PHE 23 -2.066 1.496 -3.888 146 HE2 PHE 23 HE2 PHE 23 0.386 -1.653 -2.385 147 HZ PHE 23 HZ PHE 23 -1.267 -0.831 -4.017 148 H GLN 24 H GLN 24 3.987 2.883 0.408 149 HA GLN 24 HA GLN 24 4.991 1.322 -1.875 150 HB2 GLN 24 HB2 GLN 24 6.662 2.533 0.323 151 HB3 GLN 24 HB3 GLN 24 7.200 1.938 -1.241 152 HG2 GLN 24 HG2 GLN 24 5.299 4.238 -1.042 153 HG3 GLN 24 HG3 GLN 24 7.037 4.471 -0.869 154 HE21 GLN 24 HE21 GLN 24 4.501 3.374 -3.025 155 HE22 GLN 24 HE22 GLN 24 5.390 3.588 -4.490 156 H CYS 25 H CYS 25 4.044 -0.646 -1.242 157 HA CYS 25 HA CYS 25 4.798 -1.760 1.342 158 HB2 CYS 25 HB2 CYS 25 2.513 -1.986 -0.149 159 HB3 CYS 25 HB3 CYS 25 3.339 -3.491 -0.533 160 H ILE 26 H ILE 26 6.675 -2.774 1.529 161 HA ILE 26 HA ILE 26 7.978 -3.903 -0.816 162 HB ILE 26 HB ILE 26 9.022 -3.834 2.013 163 HG12 ILE 26 HG12 ILE 26 9.416 -1.821 -0.213 164 HG13 ILE 26 HG13 ILE 26 8.488 -1.558 1.261 165 HG21 ILE 26 HG21 ILE 26 10.992 -4.588 1.210 166 HG22 ILE 26 HG22 ILE 26 10.817 -3.736 -0.324 167 HG23 ILE 26 HG23 ILE 26 9.967 -5.258 -0.059 168 HD11 ILE 26 HD11 ILE 26 10.331 -0.753 2.177 169 HD12 ILE 26 HD12 ILE 26 11.300 -1.249 0.790 170 HD13 ILE 26 HD13 ILE 26 11.013 -2.378 2.114 171 H CYS 27 H CYS 27 7.826 -5.976 -1.343 172 HA CYS 27 HA CYS 27 6.556 -7.844 0.458 173 HB2 CYS 27 HB2 CYS 27 6.785 -7.575 -2.344 174 HB3 CYS 27 HB3 CYS 27 7.565 -9.096 -1.925 175 H MET 28 H MET 28 7.473 -10.059 0.718 176 HA MET 28 HA MET 28 9.975 -9.943 1.987 177 HB2 MET 28 HB2 MET 28 7.911 -11.916 1.522 178 HB3 MET 28 HB3 MET 28 9.506 -12.638 1.367 179 HG2 MET 28 HG2 MET 28 9.912 -11.306 3.620 180 HG3 MET 28 HG3 MET 28 8.163 -11.483 3.740 181 HE1 MET 28 HE1 MET 28 11.400 -12.569 4.245 182 HE2 MET 28 HE2 MET 28 11.529 -14.320 4.086 183 HE3 MET 28 HE3 MET 28 10.947 -13.611 5.592 184 HA PRO 29 HA PRO 29 12.895 -10.893 -1.184 185 HB2 PRO 29 HB2 PRO 29 14.572 -12.663 -0.091 186 HB3 PRO 29 HB3 PRO 29 14.450 -11.008 0.516 187 HG2 PRO 29 HG2 PRO 29 13.230 -13.518 1.603 188 HG3 PRO 29 HG3 PRO 29 14.022 -12.192 2.474 189 HD2 PRO 29 HD2 PRO 29 11.308 -12.450 2.251 190 HD3 PRO 29 HD3 PRO 29 12.132 -10.893 2.461 191 H GLY 30 H GLY 30 11.161 -11.926 -2.511 192 HA2 GLY 30 HA2 GLY 30 11.461 -13.745 -4.172 193 HA3 GLY 30 HA3 GLY 30 11.670 -14.824 -2.801 194 H TYR 31 H TYR 31 9.282 -12.243 -3.104 195 HA TYR 31 HA TYR 31 7.178 -14.292 -2.923 196 HB2 TYR 31 HB2 TYR 31 7.506 -11.593 -1.739 197 HB3 TYR 31 HB3 TYR 31 5.881 -12.028 -2.250 198 HD1 TYR 31 HD1 TYR 31 8.643 -13.945 -0.612 199 HD2 TYR 31 HD2 TYR 31 4.606 -12.618 -0.422 200 HE1 TYR 31 HE1 TYR 31 8.332 -15.208 1.475 201 HE2 TYR 31 HE2 TYR 31 4.284 -13.876 1.666 202 HH TYR 31 HH TYR 31 6.137 -16.266 2.677 203 H GLU 32 H GLU 32 4.973 -13.038 -3.691 204 HA GLU 32 HA GLU 32 5.450 -11.724 -6.252 205 HB2 GLU 32 HB2 GLU 32 4.157 -14.406 -5.899 206 HB3 GLU 32 HB3 GLU 32 3.645 -13.351 -7.209 207 HG2 GLU 32 HG2 GLU 32 5.477 -13.759 -8.414 208 HG3 GLU 32 HG3 GLU 32 6.540 -13.650 -7.011 209 H GLY 33 H GLY 33 3.070 -11.437 -7.299 210 HA2 GLY 33 HA2 GLY 33 0.880 -10.677 -7.015 211 HA3 GLY 33 HA3 GLY 33 1.069 -10.852 -5.277 212 H VAL 34 H VAL 34 -0.201 -8.656 -6.166 213 HA VAL 34 HA VAL 34 1.709 -6.472 -6.380 214 HB VAL 34 HB VAL 34 -1.299 -6.280 -6.238 215 HG11 VAL 34 HG11 VAL 34 0.916 -4.379 -6.732 216 HG12 VAL 34 HG12 VAL 34 -0.649 -4.125 -5.959 217 HG13 VAL 34 HG13 VAL 34 -0.534 -4.193 -7.718 218 HG21 VAL 34 HG21 VAL 34 -1.081 -7.553 -8.137 219 HG22 VAL 34 HG22 VAL 34 0.522 -6.919 -8.510 220 HG23 VAL 34 HG23 VAL 34 -0.909 -5.932 -8.811 221 H TYR 35 H TYR 35 -0.889 -7.516 -4.186 222 HA TYR 35 HA TYR 35 0.068 -5.601 -2.187 223 HB2 TYR 35 HB2 TYR 35 -2.519 -6.882 -2.772 224 HB3 TYR 35 HB3 TYR 35 -2.132 -6.758 -1.060 225 HD1 TYR 35 HD1 TYR 35 -2.407 -4.742 -4.173 226 HD2 TYR 35 HD2 TYR 35 -2.449 -4.735 0.081 227 HE1 TYR 35 HE1 TYR 35 -3.129 -2.392 -4.190 228 HE2 TYR 35 HE2 TYR 35 -3.172 -2.386 0.076 229 HH TYR 35 HH TYR 35 -2.890 -0.377 -1.728 230 H CYS 36 H CYS 36 1.483 -8.100 -2.875 231 HA CYS 36 HA CYS 36 2.534 -9.847 -1.861 232 HB2 CYS 36 HB2 CYS 36 1.943 -8.086 0.517 233 HB3 CYS 36 HB3 CYS 36 2.917 -9.547 0.632 234 H GLU 37 H GLU 37 1.309 -11.629 -2.186 235 HA GLU 37 HA GLU 37 0.014 -12.837 0.002 236 HB2 GLU 37 HB2 GLU 37 -1.780 -11.280 -0.397 237 HB3 GLU 37 HB3 GLU 37 -1.793 -11.656 -2.113 238 HG2 GLU 37 HG2 GLU 37 -3.651 -12.751 -1.151 239 HG3 GLU 37 HG3 GLU 37 -2.451 -13.996 -1.498 240 H ILE 38 H ILE 38 0.322 -12.649 -3.508 241 HA ILE 38 HA ILE 38 -0.106 -15.513 -3.785 242 HB ILE 38 HB ILE 38 0.458 -13.365 -5.832 243 HG12 ILE 38 HG12 ILE 38 -1.860 -13.887 -6.561 244 HG13 ILE 38 HG13 ILE 38 -2.009 -15.003 -5.207 245 HG21 ILE 38 HG21 ILE 38 0.436 -16.319 -6.064 246 HG22 ILE 38 HG22 ILE 38 1.346 -15.115 -6.978 247 HG23 ILE 38 HG23 ILE 38 -0.355 -15.400 -7.346 248 HD11 ILE 38 HD11 ILE 38 -1.256 -12.183 -4.655 249 HD12 ILE 38 HD12 ILE 38 -2.164 -13.328 -3.667 250 HD13 ILE 38 HD13 ILE 38 -2.930 -12.562 -5.059 251 H1 FUC 39 H1 FUC 39 10.937 -3.344 5.287 252 H2 FUC 39 H2 FUC 39 12.176 -5.162 6.366 253 H3 FUC 39 H3 FUC 39 9.441 -6.149 7.292 254 H4 FUC 39 H4 FUC 39 9.830 -8.070 5.868 255 H5 FUC 39 H5 FUC 39 8.699 -6.130 4.855 256 H61 FUC 39 H61 FUC 39 10.738 -7.361 2.932 257 H62 FUC 39 H62 FUC 39 9.135 -8.046 3.343 258 H63 FUC 39 H63 FUC 39 9.246 -6.490 2.461 259 HO2 FUC 39 HO2 FUC 39 11.529 -4.600 8.529 260 HO4 FUC 39 HO4 FUC 39 12.155 -8.008 5.965 261 H1 NAG 40 H1 NAG 40 9.797 -8.385 8.455 262 H2 NAG 40 H2 NAG 40 12.111 -7.569 10.306 263 H3 NAG 40 H3 NAG 40 10.024 -9.792 10.663 264 H4 NAG 40 H4 NAG 40 10.318 -7.151 12.200 265 H5 NAG 40 H5 NAG 40 8.166 -8.000 10.166 266 H61 NAG 40 H61 NAG 40 7.613 -5.508 10.302 267 H62 NAG 40 H62 NAG 40 8.583 -5.481 11.793 268 H81 NAG 40 H81 NAG 40 13.792 -11.451 8.661 269 H82 NAG 40 H82 NAG 40 15.292 -10.580 9.098 270 H83 NAG 40 H83 NAG 40 14.343 -10.067 7.671 271 HN2 NAG 40 HN2 NAG 40 11.810 -9.839 8.503 272 HO3 NAG 40 HO3 NAG 40 12.026 -8.737 12.398 273 HO4 NAG 40 HO4 NAG 40 9.095 -8.194 13.529 274 HO6 NAG 40 HO6 NAG 40 7.117 -6.756 12.790 Start of MODEL 14 1 H1 ASP 1 H1 ASP 1 -11.587 7.040 -1.560 2 HA ASP 1 HA ASP 1 -10.495 9.012 -2.494 3 HB2 ASP 1 HB2 ASP 1 -9.797 9.339 0.409 4 HB3 ASP 1 HB3 ASP 1 -8.810 10.097 -0.837 5 H VAL 2 H VAL 2 -10.032 6.250 -2.536 6 HA VAL 2 HA VAL 2 -8.426 4.756 -3.146 7 HB VAL 2 HB VAL 2 -6.503 7.082 -3.174 8 HG11 VAL 2 HG11 VAL 2 -6.417 4.274 -4.074 9 HG12 VAL 2 HG12 VAL 2 -5.115 5.339 -3.543 10 HG13 VAL 2 HG13 VAL 2 -5.745 5.467 -5.185 11 HG21 VAL 2 HG21 VAL 2 -7.963 7.933 -4.675 12 HG22 VAL 2 HG22 VAL 2 -8.719 6.372 -4.989 13 HG23 VAL 2 HG23 VAL 2 -7.185 6.779 -5.758 14 H ASN 3 H ASN 3 -7.900 3.353 -1.607 15 HA ASN 3 HA ASN 3 -6.709 4.214 0.877 16 HB2 ASN 3 HB2 ASN 3 -8.242 1.986 0.003 17 HB3 ASN 3 HB3 ASN 3 -6.716 1.360 0.620 18 HD21 ASN 3 HD21 ASN 3 -8.117 0.407 2.251 19 HD22 ASN 3 HD22 ASN 3 -8.552 1.349 3.633 20 H GLU 4 H GLU 4 -4.643 3.908 1.556 21 HA GLU 4 HA GLU 4 -2.771 2.706 -0.375 22 HB2 GLU 4 HB2 GLU 4 -2.620 5.236 1.194 23 HB3 GLU 4 HB3 GLU 4 -1.128 4.348 0.912 24 HG2 GLU 4 HG2 GLU 4 -0.977 5.200 -1.118 25 HG3 GLU 4 HG3 GLU 4 -2.544 4.514 -1.545 26 H CYS 5 H CYS 5 -2.319 3.865 2.938 27 HA CYS 5 HA CYS 5 -1.832 1.115 3.822 28 HB2 CYS 5 HB2 CYS 5 0.258 2.771 3.230 29 HB3 CYS 5 HB3 CYS 5 0.037 3.086 4.945 30 H ILE 6 H ILE 6 -3.964 1.490 4.760 31 HA ILE 6 HA ILE 6 -3.901 3.205 7.146 32 HB ILE 6 HB ILE 6 -6.361 2.035 5.894 33 HG12 ILE 6 HG12 ILE 6 -5.259 3.452 4.233 34 HG13 ILE 6 HG13 ILE 6 -6.720 4.230 4.833 35 HG21 ILE 6 HG21 ILE 6 -7.137 4.302 7.117 36 HG22 ILE 6 HG22 ILE 6 -5.781 3.838 8.144 37 HG23 ILE 6 HG23 ILE 6 -7.123 2.721 7.900 38 HD11 ILE 6 HD11 ILE 6 -5.103 5.917 4.713 39 HD12 ILE 6 HD12 ILE 6 -3.866 4.900 5.453 40 HD13 ILE 6 HD13 ILE 6 -5.212 5.499 6.423 41 H SER 7 H SER 7 -5.587 0.232 6.175 42 HA SER 7 HA SER 7 -5.093 -0.829 8.868 43 HB2 SER 7 HB2 SER 7 -7.486 -0.546 7.738 44 HB3 SER 7 HB3 SER 7 -7.070 -2.111 7.041 45 HG SER 7 HG SER 7 -8.178 -2.260 9.069 46 H ASN 8 H ASN 8 -2.894 -1.086 7.498 47 HA ASN 8 HA ASN 8 -1.346 -2.523 6.656 48 HB2 ASN 8 HB2 ASN 8 -1.947 -3.821 8.642 49 HB3 ASN 8 HB3 ASN 8 -3.266 -4.581 7.764 50 HD21 ASN 8 HD21 ASN 8 -1.793 -6.330 8.807 51 HD22 ASN 8 HD22 ASN 8 -0.655 -7.027 7.720 52 HA PRO 9 HA PRO 9 -3.647 -3.079 2.706 53 HB2 PRO 9 HB2 PRO 9 -1.475 -2.453 1.158 54 HB3 PRO 9 HB3 PRO 9 -2.616 -1.259 1.785 55 HG2 PRO 9 HG2 PRO 9 0.074 -2.044 2.827 56 HG3 PRO 9 HG3 PRO 9 -0.650 -0.431 2.697 57 HD2 PRO 9 HD2 PRO 9 -0.547 -1.771 5.033 58 HD3 PRO 9 HD3 PRO 9 -1.901 -0.700 4.622 59 H CYS 10 H CYS 10 -0.359 -4.148 3.514 60 HA CYS 10 HA CYS 10 -0.302 -6.244 1.593 61 HB2 CYS 10 HB2 CYS 10 1.352 -6.219 4.107 62 HB3 CYS 10 HB3 CYS 10 1.765 -6.868 2.525 63 H GLN 11 H GLN 11 -0.443 -8.498 1.935 64 HA GLN 11 HA GLN 11 -2.049 -9.250 4.286 65 HB2 GLN 11 HB2 GLN 11 -2.282 -9.923 1.396 66 HB3 GLN 11 HB3 GLN 11 -2.739 -11.148 2.565 67 HG2 GLN 11 HG2 GLN 11 -3.838 -8.364 2.685 68 HG3 GLN 11 HG3 GLN 11 -4.561 -9.609 1.666 69 HE21 GLN 11 HE21 GLN 11 -6.199 -8.623 3.435 70 HE22 GLN 11 HE22 GLN 11 -6.434 -9.677 4.783 71 H ASN 12 H ASN 12 0.905 -9.327 3.942 72 HA ASN 12 HA ASN 12 1.241 -12.118 4.701 73 HB2 ASN 12 HB2 ASN 12 2.392 -10.875 2.269 74 HB3 ASN 12 HB3 ASN 12 3.460 -11.913 3.202 75 HD21 ASN 12 HD21 ASN 12 2.807 -12.568 0.680 76 HD22 ASN 12 HD22 ASN 12 1.791 -13.956 0.684 77 H ASP 13 H ASP 13 1.516 -9.200 5.767 78 HA ASP 13 HA ASP 13 2.709 -8.253 7.461 79 HB2 ASP 13 HB2 ASP 13 2.995 -10.750 8.125 80 HB3 ASP 13 HB3 ASP 13 4.622 -10.572 7.476 81 H ALA 14 H ALA 14 3.190 -7.366 5.009 82 HA ALA 14 HA ALA 14 6.048 -7.370 4.485 83 HB1 ALA 14 HB1 ALA 14 3.622 -6.740 2.997 84 HB2 ALA 14 HB2 ALA 14 5.180 -7.325 2.424 85 HB3 ALA 14 HB3 ALA 14 4.938 -5.602 2.711 86 H THR 15 H THR 15 6.972 -5.129 3.856 87 HA THR 15 HA THR 15 6.477 -3.353 6.130 88 HB THR 15 HB THR 15 8.779 -3.513 4.175 89 HG21 THR 15 HG21 THR 15 8.401 -1.660 6.511 90 HG22 THR 15 HG22 THR 15 8.608 -1.217 4.817 91 HG23 THR 15 HG23 THR 15 9.941 -1.956 5.706 92 H CYS 16 H CYS 16 5.641 -1.364 5.921 93 HA CYS 16 HA CYS 16 4.877 -0.496 3.229 94 HB2 CYS 16 HB2 CYS 16 3.166 -0.741 5.097 95 HB3 CYS 16 HB3 CYS 16 3.916 0.666 5.842 96 H LEU 17 H LEU 17 5.706 1.273 2.296 97 HA LEU 17 HA LEU 17 7.436 3.004 3.938 98 HB2 LEU 17 HB2 LEU 17 8.163 1.432 1.762 99 HB3 LEU 17 HB3 LEU 17 8.024 3.045 1.090 100 HG LEU 17 HG LEU 17 10.311 2.600 1.775 101 HD11 LEU 17 HD11 LEU 17 10.714 4.600 2.915 102 HD12 LEU 17 HD12 LEU 17 9.184 4.515 3.789 103 HD13 LEU 17 HD13 LEU 17 9.195 4.881 2.065 104 HD21 LEU 17 HD21 LEU 17 10.379 1.082 3.467 105 HD22 LEU 17 HD22 LEU 17 8.978 1.767 4.290 106 HD23 LEU 17 HD23 LEU 17 10.549 2.557 4.418 107 H ASP 18 H ASP 18 7.314 5.206 3.649 108 HA ASP 18 HA ASP 18 4.963 6.137 2.168 109 HB2 ASP 18 HB2 ASP 18 6.380 7.023 4.605 110 HB3 ASP 18 HB3 ASP 18 5.777 8.314 3.569 111 H GLN 19 H GLN 19 5.269 6.994 0.231 112 HA GLN 19 HA GLN 19 7.889 8.142 -0.420 113 HB2 GLN 19 HB2 GLN 19 5.660 7.088 -2.157 114 HB3 GLN 19 HB3 GLN 19 7.043 7.961 -2.803 115 HG2 GLN 19 HG2 GLN 19 8.321 6.099 -1.358 116 HG3 GLN 19 HG3 GLN 19 6.850 5.213 -1.758 117 HE21 GLN 19 HE21 GLN 19 6.236 5.930 -4.225 118 HE22 GLN 19 HE22 GLN 19 7.505 5.556 -5.336 119 H ILE 20 H ILE 20 4.689 8.791 -1.785 120 HA ILE 20 HA ILE 20 4.868 11.574 -0.913 121 HB ILE 20 HB ILE 20 4.268 10.867 -3.780 122 HG12 ILE 20 HG12 ILE 20 6.583 12.249 -3.921 123 HG13 ILE 20 HG13 ILE 20 6.830 11.411 -2.393 124 HG21 ILE 20 HG21 ILE 20 4.603 13.452 -2.286 125 HG22 ILE 20 HG22 ILE 20 3.213 12.896 -3.218 126 HG23 ILE 20 HG23 ILE 20 4.703 13.353 -4.044 127 HD11 ILE 20 HD11 ILE 20 5.900 9.436 -4.077 128 HD12 ILE 20 HD12 ILE 20 7.575 9.712 -3.604 129 HD13 ILE 20 HD13 ILE 20 6.955 10.409 -5.101 130 H GLY 21 H GLY 21 2.846 9.640 -3.111 131 HA2 GLY 21 HA2 GLY 21 0.557 10.122 -1.331 132 HA3 GLY 21 HA3 GLY 21 0.432 10.585 -3.021 133 H GLU 22 H GLU 22 2.198 7.745 -2.029 134 HA GLU 22 HA GLU 22 -0.041 6.014 -2.765 135 HB2 GLU 22 HB2 GLU 22 1.630 4.643 -4.148 136 HB3 GLU 22 HB3 GLU 22 1.005 6.125 -4.859 137 HG2 GLU 22 HG2 GLU 22 3.076 7.279 -4.089 138 HG3 GLU 22 HG3 GLU 22 3.700 5.706 -3.593 139 H PHE 23 H PHE 23 0.618 3.639 -2.421 140 HA PHE 23 HA PHE 23 2.021 3.494 0.144 141 HB2 PHE 23 HB2 PHE 23 0.812 1.421 0.528 142 HB3 PHE 23 HB3 PHE 23 -0.314 2.707 0.107 143 HD1 PHE 23 HD1 PHE 23 1.278 -0.384 -1.026 144 HD2 PHE 23 HD2 PHE 23 -1.552 2.656 -1.940 145 HE1 PHE 23 HE1 PHE 23 0.362 -1.788 -2.831 146 HE2 PHE 23 HE2 PHE 23 -2.476 1.260 -3.746 147 HZ PHE 23 HZ PHE 23 -1.518 -0.965 -4.194 148 H GLN 24 H GLN 24 3.785 2.236 0.449 149 HA GLN 24 HA GLN 24 4.769 0.736 -1.890 150 HB2 GLN 24 HB2 GLN 24 6.075 2.676 -0.106 151 HB3 GLN 24 HB3 GLN 24 7.012 1.216 -0.396 152 HG2 GLN 24 HG2 GLN 24 5.808 2.692 -2.693 153 HG3 GLN 24 HG3 GLN 24 7.296 3.275 -1.946 154 HE21 GLN 24 HE21 GLN 24 9.178 2.277 -2.389 155 HE22 GLN 24 HE22 GLN 24 9.338 0.906 -3.430 156 H CYS 25 H CYS 25 3.951 -1.255 -1.312 157 HA CYS 25 HA CYS 25 4.547 -2.336 1.323 158 HB2 CYS 25 HB2 CYS 25 2.331 -2.749 0.367 159 HB3 CYS 25 HB3 CYS 25 3.064 -3.538 -1.024 160 H ILE 26 H ILE 26 6.368 -3.392 1.722 161 HA ILE 26 HA ILE 26 8.007 -4.343 -0.486 162 HB ILE 26 HB ILE 26 8.669 -4.460 2.453 163 HG12 ILE 26 HG12 ILE 26 9.382 -2.269 0.492 164 HG13 ILE 26 HG13 ILE 26 8.111 -2.138 1.703 165 HG21 ILE 26 HG21 ILE 26 10.867 -4.848 1.818 166 HG22 ILE 26 HG22 ILE 26 10.611 -4.227 0.187 167 HG23 ILE 26 HG23 ILE 26 9.947 -5.794 0.648 168 HD11 ILE 26 HD11 ILE 26 10.372 -2.937 3.114 169 HD12 ILE 26 HD12 ILE 26 9.637 -1.334 3.085 170 HD13 ILE 26 HD13 ILE 26 10.941 -1.725 1.965 171 H CYS 27 H CYS 27 7.686 -6.328 -1.228 172 HA CYS 27 HA CYS 27 6.332 -8.343 0.272 173 HB2 CYS 27 HB2 CYS 27 7.863 -8.758 -2.290 174 HB3 CYS 27 HB3 CYS 27 6.487 -9.670 -1.688 175 H MET 28 H MET 28 7.336 -10.643 0.207 176 HA MET 28 HA MET 28 9.620 -10.602 1.905 177 HB2 MET 28 HB2 MET 28 7.645 -12.520 1.029 178 HB3 MET 28 HB3 MET 28 9.253 -13.231 0.975 179 HG2 MET 28 HG2 MET 28 9.426 -12.149 3.375 180 HG3 MET 28 HG3 MET 28 7.670 -12.276 3.297 181 HE1 MET 28 HE1 MET 28 11.071 -14.696 3.338 182 HE2 MET 28 HE2 MET 28 10.364 -15.249 4.856 183 HE3 MET 28 HE3 MET 28 10.563 -13.523 4.554 184 HA PRO 29 HA PRO 29 12.948 -11.233 -0.920 185 HB2 PRO 29 HB2 PRO 29 14.384 -13.280 0.061 186 HB3 PRO 29 HB3 PRO 29 14.296 -11.716 0.876 187 HG2 PRO 29 HG2 PRO 29 12.804 -14.244 1.466 188 HG3 PRO 29 HG3 PRO 29 13.571 -13.109 2.592 189 HD2 PRO 29 HD2 PRO 29 10.901 -13.120 2.085 190 HD3 PRO 29 HD3 PRO 29 11.793 -11.652 2.530 191 H GLY 30 H GLY 30 11.014 -12.063 -2.361 192 HA2 GLY 30 HA2 GLY 30 11.513 -13.529 -4.367 193 HA3 GLY 30 HA3 GLY 30 11.602 -14.834 -3.195 194 H TYR 31 H TYR 31 9.284 -12.156 -3.319 195 HA TYR 31 HA TYR 31 7.145 -14.154 -3.631 196 HB2 TYR 31 HB2 TYR 31 7.405 -11.730 -1.938 197 HB3 TYR 31 HB3 TYR 31 5.819 -12.051 -2.623 198 HD1 TYR 31 HD1 TYR 31 8.499 -14.194 -1.132 199 HD2 TYR 31 HD2 TYR 31 4.409 -13.020 -1.079 200 HE1 TYR 31 HE1 TYR 31 8.063 -15.818 0.662 201 HE2 TYR 31 HE2 TYR 31 3.962 -14.639 0.715 202 HH TYR 31 HH TYR 31 5.494 -15.766 2.604 203 H GLU 32 H GLU 32 5.024 -12.758 -4.318 204 HA GLU 32 HA GLU 32 5.653 -10.894 -6.454 205 HB2 GLU 32 HB2 GLU 32 4.301 -12.237 -8.101 206 HB3 GLU 32 HB3 GLU 32 5.866 -12.921 -7.684 207 HG2 GLU 32 HG2 GLU 32 4.298 -14.135 -5.855 208 HG3 GLU 32 HG3 GLU 32 3.158 -13.943 -7.185 209 H GLY 33 H GLY 33 3.379 -10.514 -7.697 210 HA2 GLY 33 HA2 GLY 33 1.032 -10.197 -7.443 211 HA3 GLY 33 HA3 GLY 33 1.219 -10.423 -5.711 212 H VAL 34 H VAL 34 -0.264 -8.421 -6.037 213 HA VAL 34 HA VAL 34 1.225 -5.965 -6.497 214 HB VAL 34 HB VAL 34 -1.667 -6.270 -5.684 215 HG11 VAL 34 HG11 VAL 34 -1.905 -4.004 -6.561 216 HG12 VAL 34 HG12 VAL 34 -0.180 -3.961 -6.932 217 HG13 VAL 34 HG13 VAL 34 -0.720 -4.059 -5.256 218 HG21 VAL 34 HG21 VAL 34 -0.634 -7.214 -8.008 219 HG22 VAL 34 HG22 VAL 34 -1.037 -5.558 -8.462 220 HG23 VAL 34 HG23 VAL 34 -2.285 -6.624 -7.817 221 H TYR 35 H TYR 35 -0.769 -7.351 -3.885 222 HA TYR 35 HA TYR 35 0.475 -5.503 -1.990 223 HB2 TYR 35 HB2 TYR 35 -2.010 -7.174 -1.968 224 HB3 TYR 35 HB3 TYR 35 -1.288 -6.699 -0.435 225 HD1 TYR 35 HD1 TYR 35 -0.430 -4.007 -0.752 226 HD2 TYR 35 HD2 TYR 35 -3.866 -5.884 -2.417 227 HE1 TYR 35 HE1 TYR 35 -1.543 -1.819 -0.908 228 HE2 TYR 35 HE2 TYR 35 -4.987 -3.702 -2.577 229 HH TYR 35 HH TYR 35 -3.434 -0.817 -2.388 230 H CYS 36 H CYS 36 1.851 -7.863 -3.177 231 HA CYS 36 HA CYS 36 3.183 -9.606 -2.557 232 HB2 CYS 36 HB2 CYS 36 3.203 -8.346 0.183 233 HB3 CYS 36 HB3 CYS 36 4.482 -9.272 -0.597 234 H GLU 37 H GLU 37 0.339 -9.971 -2.278 235 HA GLU 37 HA GLU 37 0.104 -11.687 0.081 236 HB2 GLU 37 HB2 GLU 37 -2.270 -11.629 -0.283 237 HB3 GLU 37 HB3 GLU 37 -1.658 -9.988 -0.404 238 HG2 GLU 37 HG2 GLU 37 -2.194 -9.795 -2.582 239 HG3 GLU 37 HG3 GLU 37 -1.838 -11.485 -2.935 240 H ILE 38 H ILE 38 1.716 -12.436 -2.246 241 HA ILE 38 HA ILE 38 0.211 -14.814 -3.128 242 HB ILE 38 HB ILE 38 2.548 -13.591 -4.588 243 HG12 ILE 38 HG12 ILE 38 0.720 -11.967 -4.540 244 HG13 ILE 38 HG13 ILE 38 0.898 -12.644 -6.155 245 HG21 ILE 38 HG21 ILE 38 1.442 -14.920 -6.482 246 HG22 ILE 38 HG22 ILE 38 0.563 -15.753 -5.199 247 HG23 ILE 38 HG23 ILE 38 2.325 -15.819 -5.248 248 HD11 ILE 38 HD11 ILE 38 -1.036 -13.961 -5.922 249 HD12 ILE 38 HD12 ILE 38 -1.455 -12.363 -5.301 250 HD13 ILE 38 HD13 ILE 38 -1.108 -13.681 -4.182 251 H1 FUC 39 H1 FUC 39 10.868 -3.719 5.642 252 H2 FUC 39 H2 FUC 39 11.869 -5.613 6.838 253 H3 FUC 39 H3 FUC 39 8.998 -6.337 7.575 254 H4 FUC 39 H4 FUC 39 9.322 -8.320 6.230 255 H5 FUC 39 H5 FUC 39 8.442 -6.319 5.087 256 H61 FUC 39 H61 FUC 39 8.818 -8.294 3.640 257 H62 FUC 39 H62 FUC 39 10.506 -7.769 3.351 258 H63 FUC 39 H63 FUC 39 9.152 -6.776 2.749 259 HO2 FUC 39 HO2 FUC 39 11.268 -3.694 8.007 260 HO4 FUC 39 HO4 FUC 39 11.270 -8.534 5.002 261 H1 NAG 40 H1 NAG 40 9.036 -8.517 8.816 262 H2 NAG 40 H2 NAG 40 11.332 -7.973 10.788 263 H3 NAG 40 H3 NAG 40 8.965 -9.910 11.042 264 H4 NAG 40 H4 NAG 40 9.505 -7.307 12.578 265 H5 NAG 40 H5 NAG 40 7.374 -7.910 10.438 266 H61 NAG 40 H61 NAG 40 8.032 -5.414 12.031 267 H62 NAG 40 H62 NAG 40 6.509 -6.330 12.006 268 H81 NAG 40 H81 NAG 40 12.307 -11.834 8.832 269 H82 NAG 40 H82 NAG 40 12.949 -12.357 10.417 270 H83 NAG 40 H83 NAG 40 13.936 -11.311 9.352 271 HN2 NAG 40 HN2 NAG 40 10.971 -10.076 8.875 272 HO3 NAG 40 HO3 NAG 40 10.690 -10.598 12.226 273 HO4 NAG 40 HO4 NAG 40 7.398 -9.211 12.581 274 HO6 NAG 40 HO6 NAG 40 6.657 -4.345 10.627 Start of MODEL 15 1 H1 ASP 1 H1 ASP 1 -10.951 11.896 -0.927 2 HA ASP 1 HA ASP 1 -10.931 10.819 1.412 3 HB2 ASP 1 HB2 ASP 1 -11.800 8.475 1.332 4 HB3 ASP 1 HB3 ASP 1 -13.054 9.702 1.181 5 H VAL 2 H VAL 2 -9.187 9.467 1.861 6 HA VAL 2 HA VAL 2 -7.553 8.780 -0.488 7 HB VAL 2 HB VAL 2 -6.590 9.128 2.351 8 HG11 VAL 2 HG11 VAL 2 -5.118 7.770 1.010 9 HG12 VAL 2 HG12 VAL 2 -4.384 9.356 1.249 10 HG13 VAL 2 HG13 VAL 2 -5.147 8.961 -0.291 11 HG21 VAL 2 HG21 VAL 2 -6.714 11.111 0.088 12 HG22 VAL 2 HG22 VAL 2 -5.689 11.317 1.508 13 HG23 VAL 2 HG23 VAL 2 -7.442 11.249 1.688 14 H ASN 3 H ASN 3 -6.309 6.826 -0.445 15 HA ASN 3 HA ASN 3 -6.824 4.827 1.553 16 HB2 ASN 3 HB2 ASN 3 -8.347 4.865 -0.981 17 HB3 ASN 3 HB3 ASN 3 -7.639 3.312 -0.548 18 HD21 ASN 3 HD21 ASN 3 -10.404 3.909 -0.690 19 HD22 ASN 3 HD22 ASN 3 -11.064 3.703 0.892 20 H GLU 4 H GLU 4 -4.636 4.575 1.757 21 HA GLU 4 HA GLU 4 -3.295 3.273 -0.501 22 HB2 GLU 4 HB2 GLU 4 -1.206 4.599 0.625 23 HB3 GLU 4 HB3 GLU 4 -2.089 5.158 -0.788 24 HG2 GLU 4 HG2 GLU 4 -3.320 6.708 0.451 25 HG3 GLU 4 HG3 GLU 4 -2.914 5.939 1.984 26 H CYS 5 H CYS 5 -2.061 4.273 2.661 27 HA CYS 5 HA CYS 5 -1.860 1.433 3.407 28 HB2 CYS 5 HB2 CYS 5 0.298 2.995 2.769 29 HB3 CYS 5 HB3 CYS 5 0.220 3.183 4.517 30 H ILE 6 H ILE 6 -3.767 1.660 4.642 31 HA ILE 6 HA ILE 6 -3.698 3.519 6.888 32 HB ILE 6 HB ILE 6 -5.913 1.631 6.156 33 HG12 ILE 6 HG12 ILE 6 -5.420 3.149 4.278 34 HG13 ILE 6 HG13 ILE 6 -6.980 3.508 5.012 35 HG21 ILE 6 HG21 ILE 6 -5.571 2.968 8.462 36 HG22 ILE 6 HG22 ILE 6 -7.152 2.590 7.777 37 HG23 ILE 6 HG23 ILE 6 -6.440 4.183 7.525 38 HD11 ILE 6 HD11 ILE 6 -4.757 5.227 4.600 39 HD12 ILE 6 HD12 ILE 6 -5.060 5.092 6.332 40 HD13 ILE 6 HD13 ILE 6 -6.352 5.609 5.249 41 H SER 7 H SER 7 -4.766 0.143 6.601 42 HA SER 7 HA SER 7 -3.407 -0.409 9.147 43 HB2 SER 7 HB2 SER 7 -5.984 -0.504 9.023 44 HB3 SER 7 HB3 SER 7 -5.746 -1.990 8.105 45 HG SER 7 HG SER 7 -5.991 -2.191 10.466 46 H ASN 8 H ASN 8 -1.746 -0.632 7.143 47 HA ASN 8 HA ASN 8 -0.359 -2.008 5.976 48 HB2 ASN 8 HB2 ASN 8 -0.065 -3.020 8.188 49 HB3 ASN 8 HB3 ASN 8 -1.454 -4.061 7.910 50 HD21 ASN 8 HD21 ASN 8 0.550 -5.429 8.577 51 HD22 ASN 8 HD22 ASN 8 1.370 -6.159 7.251 52 HA PRO 9 HA PRO 9 -3.673 -3.474 3.155 53 HB2 PRO 9 HB2 PRO 9 -2.271 -2.901 0.884 54 HB3 PRO 9 HB3 PRO 9 -3.271 -1.721 1.737 55 HG2 PRO 9 HG2 PRO 9 -0.308 -2.123 1.840 56 HG3 PRO 9 HG3 PRO 9 -1.232 -0.610 1.770 57 HD2 PRO 9 HD2 PRO 9 -0.179 -1.547 4.070 58 HD3 PRO 9 HD3 PRO 9 -1.711 -0.650 4.028 59 H CYS 10 H CYS 10 -0.242 -4.196 3.281 60 HA CYS 10 HA CYS 10 -0.096 -6.299 1.471 61 HB2 CYS 10 HB2 CYS 10 1.396 -6.241 4.095 62 HB3 CYS 10 HB3 CYS 10 1.904 -6.976 2.580 63 H GLN 11 H GLN 11 -0.647 -8.405 1.489 64 HA GLN 11 HA GLN 11 -2.238 -9.334 3.773 65 HB2 GLN 11 HB2 GLN 11 -2.350 -9.730 0.861 66 HB3 GLN 11 HB3 GLN 11 -2.624 -11.192 1.799 67 HG2 GLN 11 HG2 GLN 11 -4.160 -8.612 1.971 68 HG3 GLN 11 HG3 GLN 11 -4.726 -10.150 1.320 69 HE21 GLN 11 HE21 GLN 11 -4.708 -11.986 2.879 70 HE22 GLN 11 HE22 GLN 11 -5.182 -11.654 4.507 71 H ASN 12 H ASN 12 0.668 -9.369 3.828 72 HA ASN 12 HA ASN 12 0.999 -12.207 4.391 73 HB2 ASN 12 HB2 ASN 12 2.452 -10.715 2.281 74 HB3 ASN 12 HB3 ASN 12 3.406 -11.811 3.271 75 HD21 ASN 12 HD21 ASN 12 3.185 -12.257 0.641 76 HD22 ASN 12 HD22 ASN 12 2.221 -13.654 0.360 77 H ASP 13 H ASP 13 1.010 -9.365 5.706 78 HA ASP 13 HA ASP 13 1.925 -8.484 7.595 79 HB2 ASP 13 HB2 ASP 13 2.186 -11.147 8.005 80 HB3 ASP 13 HB3 ASP 13 3.881 -10.671 8.008 81 H ALA 14 H ALA 14 2.881 -7.696 5.169 82 HA ALA 14 HA ALA 14 5.783 -7.667 5.271 83 HB1 ALA 14 HB1 ALA 14 5.005 -7.946 3.100 84 HB2 ALA 14 HB2 ALA 14 5.419 -6.233 3.165 85 HB3 ALA 14 HB3 ALA 14 3.736 -6.740 3.297 86 H THR 15 H THR 15 6.694 -5.372 4.569 87 HA THR 15 HA THR 15 5.831 -3.528 6.676 88 HB THR 15 HB THR 15 8.381 -3.631 5.050 89 HG21 THR 15 HG21 THR 15 8.832 -2.123 7.331 90 HG22 THR 15 HG22 THR 15 7.312 -1.509 6.680 91 HG23 THR 15 HG23 THR 15 8.756 -1.541 5.668 92 H CYS 16 H CYS 16 5.357 -1.371 6.270 93 HA CYS 16 HA CYS 16 4.739 -0.756 3.461 94 HB2 CYS 16 HB2 CYS 16 2.793 -0.754 4.943 95 HB3 CYS 16 HB3 CYS 16 3.582 0.407 6.005 96 H LEU 17 H LEU 17 5.548 1.038 2.487 97 HA LEU 17 HA LEU 17 7.149 2.886 4.118 98 HB2 LEU 17 HB2 LEU 17 8.341 1.000 2.619 99 HB3 LEU 17 HB3 LEU 17 8.153 2.252 1.405 100 HG LEU 17 HG LEU 17 10.336 2.450 2.381 101 HD11 LEU 17 HD11 LEU 17 10.331 4.703 2.689 102 HD12 LEU 17 HD12 LEU 17 8.943 4.666 3.777 103 HD13 LEU 17 HD13 LEU 17 8.705 4.507 2.036 104 HD21 LEU 17 HD21 LEU 17 9.293 1.410 4.631 105 HD22 LEU 17 HD22 LEU 17 9.373 3.112 5.088 106 HD23 LEU 17 HD23 LEU 17 10.833 2.266 4.574 107 H ASP 18 H ASP 18 6.414 4.880 3.866 108 HA ASP 18 HA ASP 18 4.604 5.608 1.806 109 HB2 ASP 18 HB2 ASP 18 4.944 7.933 2.768 110 HB3 ASP 18 HB3 ASP 18 4.361 6.714 3.893 111 H GLN 19 H GLN 19 5.036 6.236 -0.199 112 HA GLN 19 HA GLN 19 7.781 6.945 -0.902 113 HB2 GLN 19 HB2 GLN 19 5.719 5.474 -2.187 114 HB3 GLN 19 HB3 GLN 19 6.059 6.882 -3.183 115 HG2 GLN 19 HG2 GLN 19 8.328 5.249 -2.161 116 HG3 GLN 19 HG3 GLN 19 7.371 4.648 -3.515 117 HE21 GLN 19 HE21 GLN 19 10.177 5.870 -3.061 118 HE22 GLN 19 HE22 GLN 19 10.325 6.989 -4.370 119 H ILE 20 H ILE 20 4.714 8.049 -2.290 120 HA ILE 20 HA ILE 20 5.372 10.809 -1.621 121 HB ILE 20 HB ILE 20 4.728 10.054 -4.465 122 HG12 ILE 20 HG12 ILE 20 7.431 10.779 -3.312 123 HG13 ILE 20 HG13 ILE 20 6.941 9.151 -3.769 124 HG21 ILE 20 HG21 ILE 20 4.787 12.255 -4.954 125 HG22 ILE 20 HG22 ILE 20 6.069 12.588 -3.790 126 HG23 ILE 20 HG23 ILE 20 4.401 12.430 -3.242 127 HD11 ILE 20 HD11 ILE 20 8.205 11.018 -5.369 128 HD12 ILE 20 HD12 ILE 20 6.532 11.026 -5.926 129 HD13 ILE 20 HD13 ILE 20 7.443 9.516 -5.895 130 H GLY 21 H GLY 21 3.098 8.652 -3.275 131 HA2 GLY 21 HA2 GLY 21 0.902 10.033 -1.912 132 HA3 GLY 21 HA3 GLY 21 0.848 9.936 -3.665 133 H GLU 22 H GLU 22 1.924 7.297 -3.908 134 HA GLU 22 HA GLU 22 -0.470 5.807 -3.197 135 HB2 GLU 22 HB2 GLU 22 1.905 4.840 -4.790 136 HB3 GLU 22 HB3 GLU 22 0.296 4.137 -4.740 137 HG2 GLU 22 HG2 GLU 22 -0.555 5.632 -6.199 138 HG3 GLU 22 HG3 GLU 22 0.464 6.947 -5.617 139 H PHE 23 H PHE 23 0.100 3.342 -2.736 140 HA PHE 23 HA PHE 23 1.746 3.384 -0.320 141 HB2 PHE 23 HB2 PHE 23 0.548 1.291 0.264 142 HB3 PHE 23 HB3 PHE 23 -0.531 2.664 0.038 143 HD1 PHE 23 HD1 PHE 23 -1.983 2.797 -1.903 144 HD2 PHE 23 HD2 PHE 23 0.526 -0.572 -1.237 145 HE1 PHE 23 HE1 PHE 23 -3.285 1.508 -3.550 146 HE2 PHE 23 HE2 PHE 23 -0.769 -1.870 -2.882 147 HZ PHE 23 HZ PHE 23 -2.677 -0.827 -4.041 148 H GLN 24 H GLN 24 3.186 1.645 0.153 149 HA GLN 24 HA GLN 24 4.034 0.065 -2.176 150 HB2 GLN 24 HB2 GLN 24 5.454 2.202 -1.514 151 HB3 GLN 24 HB3 GLN 24 6.110 1.109 -0.301 152 HG2 GLN 24 HG2 GLN 24 6.415 -0.481 -2.366 153 HG3 GLN 24 HG3 GLN 24 6.368 1.037 -3.260 154 HE21 GLN 24 HE21 GLN 24 8.253 -1.070 -1.416 155 HE22 GLN 24 HE22 GLN 24 9.664 -0.084 -1.276 156 H CYS 25 H CYS 25 3.738 -1.992 -1.649 157 HA CYS 25 HA CYS 25 3.904 -2.837 1.131 158 HB2 CYS 25 HB2 CYS 25 2.638 -3.839 -1.316 159 HB3 CYS 25 HB3 CYS 25 3.374 -5.105 -0.341 160 H ILE 26 H ILE 26 5.862 -3.292 1.894 161 HA ILE 26 HA ILE 26 7.854 -4.509 0.120 162 HB ILE 26 HB ILE 26 8.278 -3.441 2.911 163 HG12 ILE 26 HG12 ILE 26 8.721 -2.084 0.242 164 HG13 ILE 26 HG13 ILE 26 7.504 -1.645 1.435 165 HG21 ILE 26 HG21 ILE 26 10.029 -4.915 2.388 166 HG22 ILE 26 HG22 ILE 26 10.666 -3.307 2.036 167 HG23 ILE 26 HG23 ILE 26 10.120 -4.348 0.720 168 HD11 ILE 26 HD11 ILE 26 10.435 -1.600 2.060 169 HD12 ILE 26 HD12 ILE 26 9.112 -0.820 2.926 170 HD13 ILE 26 HD13 ILE 26 9.599 -0.226 1.338 171 H CYS 27 H CYS 27 7.139 -6.638 0.085 172 HA CYS 27 HA CYS 27 6.938 -8.055 2.638 173 HB2 CYS 27 HB2 CYS 27 6.154 -9.966 1.162 174 HB3 CYS 27 HB3 CYS 27 5.111 -8.551 1.206 175 H MET 28 H MET 28 7.715 -10.528 2.189 176 HA MET 28 HA MET 28 10.457 -10.539 2.458 177 HB2 MET 28 HB2 MET 28 8.370 -12.482 2.288 178 HB3 MET 28 HB3 MET 28 9.713 -13.027 1.292 179 HG2 MET 28 HG2 MET 28 11.049 -12.272 3.496 180 HG3 MET 28 HG3 MET 28 9.509 -12.738 4.215 181 HE1 MET 28 HE1 MET 28 12.909 -14.736 2.560 182 HE2 MET 28 HE2 MET 28 12.727 -15.154 4.263 183 HE3 MET 28 HE3 MET 28 12.669 -13.465 3.758 184 HA PRO 29 HA PRO 29 12.152 -10.434 -1.621 185 HB2 PRO 29 HB2 PRO 29 14.300 -11.998 -1.470 186 HB3 PRO 29 HB3 PRO 29 14.174 -10.527 -0.498 187 HG2 PRO 29 HG2 PRO 29 13.730 -13.374 0.307 188 HG3 PRO 29 HG3 PRO 29 14.552 -12.075 1.191 189 HD2 PRO 29 HD2 PRO 29 11.947 -12.872 1.639 190 HD3 PRO 29 HD3 PRO 29 12.595 -11.275 2.056 191 H GLY 30 H GLY 30 11.848 -11.327 -3.590 192 HA2 GLY 30 HA2 GLY 30 11.552 -12.952 -5.214 193 HA3 GLY 30 HA3 GLY 30 11.856 -14.179 -3.993 194 H TYR 31 H TYR 31 9.435 -11.767 -3.407 195 HA TYR 31 HA TYR 31 7.395 -13.842 -3.432 196 HB2 TYR 31 HB2 TYR 31 7.674 -11.149 -2.206 197 HB3 TYR 31 HB3 TYR 31 6.043 -11.678 -2.600 198 HD1 TYR 31 HD1 TYR 31 8.786 -13.913 -1.510 199 HD2 TYR 31 HD2 TYR 31 5.205 -11.905 -0.390 200 HE1 TYR 31 HE1 TYR 31 8.707 -15.223 0.569 201 HE2 TYR 31 HE2 TYR 31 5.118 -13.210 1.692 202 HH TYR 31 HH TYR 31 6.606 -14.456 3.148 203 H GLU 32 H GLU 32 5.103 -12.688 -4.052 204 HA GLU 32 HA GLU 32 5.344 -11.197 -6.533 205 HB2 GLU 32 HB2 GLU 32 4.224 -13.995 -6.400 206 HB3 GLU 32 HB3 GLU 32 3.863 -12.884 -7.715 207 HG2 GLU 32 HG2 GLU 32 6.144 -12.815 -8.387 208 HG3 GLU 32 HG3 GLU 32 6.654 -13.691 -6.945 209 H GLY 33 H GLY 33 2.930 -11.128 -7.521 210 HA2 GLY 33 HA2 GLY 33 0.610 -10.886 -7.026 211 HA3 GLY 33 HA3 GLY 33 1.017 -10.779 -5.320 212 H VAL 34 H VAL 34 -0.685 -8.950 -6.078 213 HA VAL 34 HA VAL 34 0.701 -6.551 -6.967 214 HB VAL 34 HB VAL 34 -2.190 -6.825 -6.136 215 HG11 VAL 34 HG11 VAL 34 -0.554 -4.679 -7.401 216 HG12 VAL 34 HG12 VAL 34 -1.809 -4.563 -6.167 217 HG13 VAL 34 HG13 VAL 34 -2.253 -4.837 -7.852 218 HG21 VAL 34 HG21 VAL 34 -2.284 -8.202 -7.928 219 HG22 VAL 34 HG22 VAL 34 -0.794 -7.572 -8.629 220 HG23 VAL 34 HG23 VAL 34 -2.302 -6.678 -8.816 221 H TYR 35 H TYR 35 -1.124 -7.663 -4.124 222 HA TYR 35 HA TYR 35 -0.089 -5.378 -2.606 223 HB2 TYR 35 HB2 TYR 35 -2.472 -7.132 -2.371 224 HB3 TYR 35 HB3 TYR 35 -1.758 -6.572 -0.863 225 HD1 TYR 35 HD1 TYR 35 -2.124 -4.842 -4.147 226 HD2 TYR 35 HD2 TYR 35 -3.196 -4.944 -0.031 227 HE1 TYR 35 HE1 TYR 35 -3.289 -2.692 -4.403 228 HE2 TYR 35 HE2 TYR 35 -4.364 -2.795 -0.275 229 HH TYR 35 HH TYR 35 -5.366 -1.428 -1.989 230 H CYS 36 H CYS 36 1.538 -7.698 -3.371 231 HA CYS 36 HA CYS 36 3.112 -9.072 -2.485 232 HB2 CYS 36 HB2 CYS 36 2.696 -6.976 -0.457 233 HB3 CYS 36 HB3 CYS 36 3.445 -8.448 0.150 234 H GLU 37 H GLU 37 0.798 -10.333 -2.704 235 HA GLU 37 HA GLU 37 0.429 -11.760 -0.154 236 HB2 GLU 37 HB2 GLU 37 -1.628 -10.714 -0.805 237 HB3 GLU 37 HB3 GLU 37 -1.482 -11.314 -2.450 238 HG2 GLU 37 HG2 GLU 37 -3.156 -12.553 -1.205 239 HG3 GLU 37 HG3 GLU 37 -1.808 -13.593 -1.663 240 H ILE 38 H ILE 38 0.998 -12.076 -3.598 241 HA ILE 38 HA ILE 38 1.042 -14.982 -3.446 242 HB ILE 38 HB ILE 38 1.729 -13.253 -5.821 243 HG12 ILE 38 HG12 ILE 38 -0.544 -12.746 -5.011 244 HG13 ILE 38 HG13 ILE 38 -0.578 -13.574 -6.564 245 HG21 ILE 38 HG21 ILE 38 2.485 -15.343 -6.376 246 HG22 ILE 38 HG22 ILE 38 0.812 -15.453 -6.925 247 HG23 ILE 38 HG23 ILE 38 1.281 -16.163 -5.380 248 HD11 ILE 38 HD11 ILE 38 -0.735 -15.650 -4.797 249 HD12 ILE 38 HD12 ILE 38 -2.100 -14.888 -5.612 250 HD13 ILE 38 HD13 ILE 38 -1.653 -14.383 -3.983 251 H1 FUC 39 H1 FUC 39 10.232 -3.633 6.824 252 H2 FUC 39 H2 FUC 39 11.214 -5.355 8.262 253 H3 FUC 39 H3 FUC 39 8.358 -6.386 8.560 254 H4 FUC 39 H4 FUC 39 9.123 -8.362 7.376 255 H5 FUC 39 H5 FUC 39 8.226 -6.516 6.016 256 H61 FUC 39 H61 FUC 39 9.064 -8.487 4.762 257 H62 FUC 39 H62 FUC 39 10.702 -7.767 4.717 258 H63 FUC 39 H63 FUC 39 9.354 -6.977 3.847 259 HO2 FUC 39 HO2 FUC 39 10.219 -3.482 9.216 260 HO4 FUC 39 HO4 FUC 39 11.353 -8.211 8.031 261 H1 NAG 40 H1 NAG 40 8.555 -8.651 9.807 262 H2 NAG 40 H2 NAG 40 10.179 -7.615 12.200 263 H3 NAG 40 H3 NAG 40 8.283 -10.024 12.027 264 H4 NAG 40 H4 NAG 40 7.901 -7.362 13.509 265 H5 NAG 40 H5 NAG 40 6.488 -8.412 10.981 266 H61 NAG 40 H61 NAG 40 5.472 -6.210 10.844 267 H62 NAG 40 H62 NAG 40 6.314 -5.691 12.321 268 H81 NAG 40 H81 NAG 40 13.520 -10.721 12.153 269 H82 NAG 40 H82 NAG 40 13.648 -9.852 10.596 270 H83 NAG 40 H83 NAG 40 12.444 -11.160 10.794 271 HN2 NAG 40 HN2 NAG 40 10.454 -10.190 10.754 272 HO3 NAG 40 HO3 NAG 40 9.692 -8.799 14.177 273 HO4 NAG 40 HO4 NAG 40 5.733 -8.252 13.687 274 HO6 NAG 40 HO6 NAG 40 4.043 -7.249 12.041 Start of MODEL 16 1 H1 ASP 1 H1 ASP 1 -7.656 13.555 -0.435 2 HA ASP 1 HA ASP 1 -6.892 12.436 2.006 3 HB2 ASP 1 HB2 ASP 1 -9.198 12.929 2.746 4 HB3 ASP 1 HB3 ASP 1 -8.484 14.278 1.869 5 H VAL 2 H VAL 2 -6.767 10.449 -0.059 6 HA VAL 2 HA VAL 2 -8.910 8.575 0.609 7 HB VAL 2 HB VAL 2 -7.784 7.119 -1.125 8 HG11 VAL 2 HG11 VAL 2 -8.432 9.621 -2.537 9 HG12 VAL 2 HG12 VAL 2 -9.645 9.049 -1.392 10 HG13 VAL 2 HG13 VAL 2 -9.117 8.006 -2.713 11 HG21 VAL 2 HG21 VAL 2 -5.662 8.770 -0.830 12 HG22 VAL 2 HG22 VAL 2 -6.415 9.461 -2.267 13 HG23 VAL 2 HG23 VAL 2 -5.941 7.763 -2.251 14 H ASN 3 H ASN 3 -8.537 6.540 1.499 15 HA ASN 3 HA ASN 3 -6.340 6.410 3.339 16 HB2 ASN 3 HB2 ASN 3 -8.796 4.828 2.805 17 HB3 ASN 3 HB3 ASN 3 -7.463 3.980 3.583 18 HD21 ASN 3 HD21 ASN 3 -9.939 4.441 4.785 19 HD22 ASN 3 HD22 ASN 3 -9.706 5.497 6.131 20 H GLU 4 H GLU 4 -4.486 5.287 3.184 21 HA GLU 4 HA GLU 4 -4.166 3.464 0.894 22 HB2 GLU 4 HB2 GLU 4 -2.309 5.620 1.871 23 HB3 GLU 4 HB3 GLU 4 -1.727 4.271 0.905 24 HG2 GLU 4 HG2 GLU 4 -2.406 5.238 -0.963 25 HG3 GLU 4 HG3 GLU 4 -4.040 5.432 -0.329 26 H CYS 5 H CYS 5 -1.924 4.390 3.472 27 HA CYS 5 HA CYS 5 -1.673 1.559 4.176 28 HB2 CYS 5 HB2 CYS 5 0.353 2.949 3.552 29 HB3 CYS 5 HB3 CYS 5 0.115 3.799 5.072 30 H ILE 6 H ILE 6 -3.623 1.478 5.406 31 HA ILE 6 HA ILE 6 -3.600 3.008 7.905 32 HB ILE 6 HB ILE 6 -5.802 1.474 6.554 33 HG12 ILE 6 HG12 ILE 6 -6.887 3.714 6.493 34 HG13 ILE 6 HG13 ILE 6 -5.417 4.408 7.169 35 HG21 ILE 6 HG21 ILE 6 -6.172 1.091 8.852 36 HG22 ILE 6 HG22 ILE 6 -7.234 2.429 8.415 37 HG23 ILE 6 HG23 ILE 6 -5.726 2.744 9.275 38 HD11 ILE 6 HD11 ILE 6 -5.777 4.568 4.651 39 HD12 ILE 6 HD12 ILE 6 -5.374 2.851 4.614 40 HD13 ILE 6 HD13 ILE 6 -4.202 4.019 5.223 41 H SER 7 H SER 7 -4.877 -0.204 7.131 42 HA SER 7 HA SER 7 -3.526 -1.233 9.526 43 HB2 SER 7 HB2 SER 7 -6.113 -1.305 9.246 44 HB3 SER 7 HB3 SER 7 -5.791 -2.649 8.150 45 HG SER 7 HG SER 7 -4.749 -2.539 10.779 46 H ASN 8 H ASN 8 -1.774 -1.105 7.609 47 HA ASN 8 HA ASN 8 -0.296 -2.271 6.335 48 HB2 ASN 8 HB2 ASN 8 -0.235 -3.762 8.272 49 HB3 ASN 8 HB3 ASN 8 -1.629 -4.640 7.660 50 HD21 ASN 8 HD21 ASN 8 0.267 -6.221 8.166 51 HD22 ASN 8 HD22 ASN 8 1.171 -6.690 6.778 52 HA PRO 9 HA PRO 9 -3.374 -2.677 2.930 53 HB2 PRO 9 HB2 PRO 9 -0.851 -2.156 1.463 54 HB3 PRO 9 HB3 PRO 9 -2.442 -1.431 1.248 55 HG2 PRO 9 HG2 PRO 9 -0.469 -0.087 2.430 56 HG3 PRO 9 HG3 PRO 9 -2.143 0.051 2.988 57 HD2 PRO 9 HD2 PRO 9 0.139 -1.436 4.197 58 HD3 PRO 9 HD3 PRO 9 -1.203 -0.586 4.991 59 H CYS 10 H CYS 10 -0.096 -4.019 3.132 60 HA CYS 10 HA CYS 10 -0.326 -5.982 1.169 61 HB2 CYS 10 HB2 CYS 10 1.364 -5.651 3.607 62 HB3 CYS 10 HB3 CYS 10 1.359 -7.215 2.801 63 H GLN 11 H GLN 11 -0.329 -8.395 1.636 64 HA GLN 11 HA GLN 11 -2.348 -9.042 3.678 65 HB2 GLN 11 HB2 GLN 11 -2.429 -9.434 0.776 66 HB3 GLN 11 HB3 GLN 11 -2.796 -10.889 1.691 67 HG2 GLN 11 HG2 GLN 11 -4.149 -8.379 2.495 68 HG3 GLN 11 HG3 GLN 11 -4.654 -9.142 0.989 69 HE21 GLN 11 HE21 GLN 11 -6.483 -10.169 1.372 70 HE22 GLN 11 HE22 GLN 11 -6.795 -11.225 2.704 71 H ASN 12 H ASN 12 0.610 -9.309 3.648 72 HA ASN 12 HA ASN 12 0.686 -12.123 4.395 73 HB2 ASN 12 HB2 ASN 12 2.220 -10.915 2.155 74 HB3 ASN 12 HB3 ASN 12 3.067 -12.065 3.180 75 HD21 ASN 12 HD21 ASN 12 2.841 -12.737 0.674 76 HD22 ASN 12 HD22 ASN 12 1.663 -13.970 0.449 77 H ASP 13 H ASP 13 0.953 -9.277 5.572 78 HA ASP 13 HA ASP 13 1.998 -8.383 7.383 79 HB2 ASP 13 HB2 ASP 13 2.626 -11.207 7.562 80 HB3 ASP 13 HB3 ASP 13 3.958 -10.232 8.172 81 H ALA 14 H ALA 14 2.810 -7.464 5.076 82 HA ALA 14 HA ALA 14 5.723 -7.614 4.942 83 HB1 ALA 14 HB1 ALA 14 4.618 -5.878 2.967 84 HB2 ALA 14 HB2 ALA 14 3.672 -7.367 3.020 85 HB3 ALA 14 HB3 ALA 14 5.414 -7.438 2.754 86 H THR 15 H THR 15 6.708 -5.373 4.238 87 HA THR 15 HA THR 15 6.103 -3.543 6.417 88 HB THR 15 HB THR 15 8.358 -3.602 4.403 89 HG21 THR 15 HG21 THR 15 9.336 -2.062 6.339 90 HG22 THR 15 HG22 THR 15 7.642 -1.580 6.429 91 HG23 THR 15 HG23 THR 15 8.527 -1.412 4.912 92 H CYS 16 H CYS 16 5.688 -1.324 6.128 93 HA CYS 16 HA CYS 16 4.792 -0.561 3.427 94 HB2 CYS 16 HB2 CYS 16 2.847 -1.041 4.845 95 HB3 CYS 16 HB3 CYS 16 3.432 0.103 6.048 96 H LEU 17 H LEU 17 5.305 1.464 2.739 97 HA LEU 17 HA LEU 17 6.732 3.206 4.637 98 HB2 LEU 17 HB2 LEU 17 7.960 1.862 2.627 99 HB3 LEU 17 HB3 LEU 17 7.537 3.351 1.803 100 HG LEU 17 HG LEU 17 9.825 3.363 2.761 101 HD11 LEU 17 HD11 LEU 17 9.725 5.579 3.163 102 HD12 LEU 17 HD12 LEU 17 8.433 5.416 4.352 103 HD13 LEU 17 HD13 LEU 17 8.055 5.383 2.629 104 HD21 LEU 17 HD21 LEU 17 8.801 2.087 4.880 105 HD22 LEU 17 HD22 LEU 17 8.768 3.739 5.494 106 HD23 LEU 17 HD23 LEU 17 10.288 3.031 4.950 107 H ASP 18 H ASP 18 5.940 5.197 4.780 108 HA ASP 18 HA ASP 18 3.683 6.026 3.303 109 HB2 ASP 18 HB2 ASP 18 4.755 6.797 5.652 110 HB3 ASP 18 HB3 ASP 18 5.335 8.105 4.625 111 H GLN 19 H GLN 19 3.448 7.325 1.555 112 HA GLN 19 HA GLN 19 5.740 8.736 0.461 113 HB2 GLN 19 HB2 GLN 19 4.891 6.190 -0.548 114 HB3 GLN 19 HB3 GLN 19 4.608 7.425 -1.769 115 HG2 GLN 19 HG2 GLN 19 7.227 7.010 -0.350 116 HG3 GLN 19 HG3 GLN 19 6.822 6.327 -1.921 117 HE21 GLN 19 HE21 GLN 19 8.212 7.393 -3.204 118 HE22 GLN 19 HE22 GLN 19 8.250 9.108 -3.399 119 H ILE 20 H ILE 20 5.123 10.097 -1.421 120 HA ILE 20 HA ILE 20 2.501 11.263 -0.941 121 HB ILE 20 HB ILE 20 4.631 12.270 -2.822 122 HG12 ILE 20 HG12 ILE 20 4.662 13.876 -0.553 123 HG13 ILE 20 HG13 ILE 20 4.550 12.243 0.094 124 HG21 ILE 20 HG21 ILE 20 3.382 14.132 -3.089 125 HG22 ILE 20 HG22 ILE 20 2.766 14.089 -1.437 126 HG23 ILE 20 HG23 ILE 20 2.064 13.038 -2.668 127 HD11 ILE 20 HD11 ILE 20 6.486 11.852 -1.695 128 HD12 ILE 20 HD12 ILE 20 6.794 12.390 -0.045 129 HD13 ILE 20 HD13 ILE 20 6.749 13.564 -1.360 130 H GLY 21 H GLY 21 1.100 9.787 -1.921 131 HA2 GLY 21 HA2 GLY 21 -0.024 10.103 -4.244 132 HA3 GLY 21 HA3 GLY 21 1.449 9.326 -4.800 133 H GLU 22 H GLU 22 1.882 7.145 -4.084 134 HA GLU 22 HA GLU 22 -0.599 5.683 -3.461 135 HB2 GLU 22 HB2 GLU 22 0.568 3.738 -4.589 136 HB3 GLU 22 HB3 GLU 22 0.091 5.062 -5.642 137 HG2 GLU 22 HG2 GLU 22 2.260 5.752 -5.986 138 HG3 GLU 22 HG3 GLU 22 2.844 5.005 -4.500 139 H PHE 23 H PHE 23 0.059 3.352 -2.612 140 HA PHE 23 HA PHE 23 1.556 3.846 -0.171 141 HB2 PHE 23 HB2 PHE 23 0.628 1.730 0.604 142 HB3 PHE 23 HB3 PHE 23 -0.647 2.765 -0.032 143 HD1 PHE 23 HD1 PHE 23 -1.748 2.236 -2.124 144 HD2 PHE 23 HD2 PHE 23 1.249 -0.304 -0.497 145 HE1 PHE 23 HE1 PHE 23 -2.463 0.431 -3.641 146 HE2 PHE 23 HE2 PHE 23 0.543 -2.116 -2.009 147 HZ PHE 23 HZ PHE 23 -1.315 -1.747 -3.585 148 H GLN 24 H GLN 24 3.389 2.765 0.456 149 HA GLN 24 HA GLN 24 4.737 1.230 -1.662 150 HB2 GLN 24 HB2 GLN 24 5.752 3.419 -0.833 151 HB3 GLN 24 HB3 GLN 24 6.078 2.579 0.677 152 HG2 GLN 24 HG2 GLN 24 7.682 1.231 -0.255 153 HG3 GLN 24 HG3 GLN 24 7.014 1.378 -1.880 154 HE21 GLN 24 HE21 GLN 24 9.598 1.645 -1.798 155 HE22 GLN 24 HE22 GLN 24 10.104 3.293 -1.918 156 H CYS 25 H CYS 25 4.125 -0.842 -1.212 157 HA CYS 25 HA CYS 25 4.626 -1.847 1.505 158 HB2 CYS 25 HB2 CYS 25 2.397 -2.148 -0.055 159 HB3 CYS 25 HB3 CYS 25 3.270 -3.638 -0.395 160 H ILE 26 H ILE 26 6.443 -2.932 1.813 161 HA ILE 26 HA ILE 26 7.924 -3.971 -0.467 162 HB ILE 26 HB ILE 26 8.751 -4.021 2.433 163 HG12 ILE 26 HG12 ILE 26 9.337 -1.913 0.341 164 HG13 ILE 26 HG13 ILE 26 8.249 -1.712 1.710 165 HG21 ILE 26 HG21 ILE 26 10.690 -3.830 0.207 166 HG22 ILE 26 HG22 ILE 26 9.857 -5.370 0.414 167 HG23 ILE 26 HG23 ILE 26 10.801 -4.693 1.741 168 HD11 ILE 26 HD11 ILE 26 10.812 -0.929 1.707 169 HD12 ILE 26 HD12 ILE 26 10.989 -2.554 2.369 170 HD13 ILE 26 HD13 ILE 26 9.930 -1.389 3.164 171 H CYS 27 H CYS 27 7.613 -5.988 -1.129 172 HA CYS 27 HA CYS 27 6.244 -7.927 0.448 173 HB2 CYS 27 HB2 CYS 27 7.774 -8.433 -2.102 174 HB3 CYS 27 HB3 CYS 27 6.421 -9.348 -1.457 175 H MET 28 H MET 28 7.291 -10.273 0.345 176 HA MET 28 HA MET 28 9.558 -10.157 2.094 177 HB2 MET 28 HB2 MET 28 7.569 -12.106 1.317 178 HB3 MET 28 HB3 MET 28 9.174 -12.824 1.304 179 HG2 MET 28 HG2 MET 28 9.322 -11.586 3.648 180 HG3 MET 28 HG3 MET 28 7.572 -11.789 3.565 181 HE1 MET 28 HE1 MET 28 11.065 -14.091 3.830 182 HE2 MET 28 HE2 MET 28 10.319 -14.523 5.368 183 HE3 MET 28 HE3 MET 28 10.485 -12.827 4.915 184 HA PRO 29 HA PRO 29 12.853 -10.950 -0.730 185 HB2 PRO 29 HB2 PRO 29 14.368 -12.817 0.451 186 HB3 PRO 29 HB3 PRO 29 14.202 -11.190 1.121 187 HG2 PRO 29 HG2 PRO 29 12.818 -13.720 1.933 188 HG3 PRO 29 HG3 PRO 29 13.532 -12.458 2.955 189 HD2 PRO 29 HD2 PRO 29 10.861 -12.628 2.430 190 HD3 PRO 29 HD3 PRO 29 11.690 -11.098 2.773 191 H GLY 30 H GLY 30 11.089 -11.936 -2.185 192 HA2 GLY 30 HA2 GLY 30 11.609 -13.622 -3.969 193 HA3 GLY 30 HA3 GLY 30 11.707 -14.787 -2.658 194 H TYR 31 H TYR 31 9.323 -12.203 -3.036 195 HA TYR 31 HA TYR 31 7.241 -14.278 -3.201 196 HB2 TYR 31 HB2 TYR 31 7.409 -11.687 -1.759 197 HB3 TYR 31 HB3 TYR 31 5.843 -12.128 -2.422 198 HD1 TYR 31 HD1 TYR 31 8.584 -13.939 -0.633 199 HD2 TYR 31 HD2 TYR 31 4.428 -13.059 -0.861 200 HE1 TYR 31 HE1 TYR 31 8.178 -15.385 1.314 201 HE2 TYR 31 HE2 TYR 31 4.010 -14.502 1.087 202 HH TYR 31 HH TYR 31 5.873 -16.759 2.137 203 H GLU 32 H GLU 32 5.096 -12.993 -4.053 204 HA GLU 32 HA GLU 32 5.731 -11.345 -6.357 205 HB2 GLU 32 HB2 GLU 32 4.309 -12.919 -7.812 206 HB3 GLU 32 HB3 GLU 32 5.970 -13.387 -7.473 207 HG2 GLU 32 HG2 GLU 32 4.112 -14.402 -5.491 208 HG3 GLU 32 HG3 GLU 32 3.721 -14.940 -7.123 209 H GLY 33 H GLY 33 3.509 -11.039 -7.644 210 HA2 GLY 33 HA2 GLY 33 1.152 -10.727 -7.473 211 HA3 GLY 33 HA3 GLY 33 1.297 -10.832 -5.726 212 H VAL 34 H VAL 34 -0.189 -8.857 -6.286 213 HA VAL 34 HA VAL 34 1.336 -6.441 -6.833 214 HB VAL 34 HB VAL 34 -1.597 -6.659 -6.149 215 HG11 VAL 34 HG11 VAL 34 -0.460 -4.431 -5.942 216 HG12 VAL 34 HG12 VAL 34 -1.805 -4.480 -7.081 217 HG13 VAL 34 HG13 VAL 34 -0.144 -4.507 -7.676 218 HG21 VAL 34 HG21 VAL 34 -0.163 -6.953 -8.767 219 HG22 VAL 34 HG22 VAL 34 -1.824 -6.368 -8.696 220 HG23 VAL 34 HG23 VAL 34 -1.426 -7.968 -8.071 221 H TYR 35 H TYR 35 -0.724 -7.723 -4.227 222 HA TYR 35 HA TYR 35 0.347 -5.692 -2.411 223 HB2 TYR 35 HB2 TYR 35 -2.112 -7.351 -2.489 224 HB3 TYR 35 HB3 TYR 35 -1.457 -6.997 -0.894 225 HD1 TYR 35 HD1 TYR 35 -0.898 -4.470 -0.448 226 HD2 TYR 35 HD2 TYR 35 -3.554 -5.835 -3.480 227 HE1 TYR 35 HE1 TYR 35 -1.962 -2.254 -0.506 228 HE2 TYR 35 HE2 TYR 35 -4.625 -3.622 -3.546 229 HH TYR 35 HH TYR 35 -4.180 -1.292 -1.172 230 H CYS 36 H CYS 36 1.917 -8.003 -3.347 231 HA CYS 36 HA CYS 36 3.329 -9.601 -2.542 232 HB2 CYS 36 HB2 CYS 36 2.971 -8.338 0.171 233 HB3 CYS 36 HB3 CYS 36 4.398 -9.134 -0.483 234 H GLU 37 H GLU 37 0.470 -10.149 -2.511 235 HA GLU 37 HA GLU 37 0.189 -11.900 -0.179 236 HB2 GLU 37 HB2 GLU 37 -2.154 -11.963 -0.652 237 HB3 GLU 37 HB3 GLU 37 -1.638 -10.288 -0.769 238 HG2 GLU 37 HG2 GLU 37 -1.479 -10.623 -3.256 239 HG3 GLU 37 HG3 GLU 37 -2.276 -12.177 -3.014 240 H ILE 38 H ILE 38 0.719 -11.961 -3.592 241 HA ILE 38 HA ILE 38 0.019 -14.774 -3.834 242 HB ILE 38 HB ILE 38 1.285 -13.011 -5.928 243 HG12 ILE 38 HG12 ILE 38 -0.850 -12.050 -5.089 244 HG13 ILE 38 HG13 ILE 38 -0.944 -12.562 -6.771 245 HG21 ILE 38 HG21 ILE 38 0.157 -15.746 -5.870 246 HG22 ILE 38 HG22 ILE 38 1.497 -15.090 -6.809 247 HG23 ILE 38 HG23 ILE 38 -0.166 -14.769 -7.303 248 HD11 ILE 38 HD11 ILE 38 -1.737 -14.725 -5.095 249 HD12 ILE 38 HD12 ILE 38 -2.675 -13.849 -6.304 250 HD13 ILE 38 HD13 ILE 38 -2.627 -13.273 -4.638 251 H1 FUC 39 H1 FUC 39 10.486 -3.739 5.722 252 H2 FUC 39 H2 FUC 39 11.640 -5.519 6.950 253 H3 FUC 39 H3 FUC 39 8.858 -6.323 7.910 254 H4 FUC 39 H4 FUC 39 9.187 -8.362 6.642 255 H5 FUC 39 H5 FUC 39 8.145 -6.466 5.464 256 H61 FUC 39 H61 FUC 39 10.162 -7.912 3.677 257 H62 FUC 39 H62 FUC 39 8.529 -8.508 4.109 258 H63 FUC 39 H63 FUC 39 8.714 -7.027 3.115 259 HO2 FUC 39 HO2 FUC 39 11.026 -3.565 8.053 260 HO4 FUC 39 HO4 FUC 39 11.650 -7.157 5.797 261 H1 NAG 40 H1 NAG 40 9.099 -8.462 9.245 262 H2 NAG 40 H2 NAG 40 11.443 -7.635 11.057 263 H3 NAG 40 H3 NAG 40 9.240 -9.717 11.551 264 H4 NAG 40 H4 NAG 40 9.657 -6.992 12.899 265 H5 NAG 40 H5 NAG 40 7.479 -7.874 10.909 266 H61 NAG 40 H61 NAG 40 7.335 -5.908 12.847 267 H62 NAG 40 H62 NAG 40 7.884 -5.006 11.417 268 H81 NAG 40 H81 NAG 40 13.217 -10.320 7.836 269 H82 NAG 40 H82 NAG 40 14.348 -10.558 9.200 270 H83 NAG 40 H83 NAG 40 12.776 -11.410 9.184 271 HN2 NAG 40 HN2 NAG 40 10.974 -10.350 9.994 272 HO3 NAG 40 HO3 NAG 40 11.435 -9.837 12.551 273 HO4 NAG 40 HO4 NAG 40 8.620 -8.448 14.218 274 HO6 NAG 40 HO6 NAG 40 5.455 -5.519 11.824 Start of MODEL 17 1 H1 ASP 1 H1 ASP 1 -1.449 14.108 2.953 2 HA ASP 1 HA ASP 1 -3.068 12.970 4.177 3 HB2 ASP 1 HB2 ASP 1 -5.298 13.886 3.611 4 HB3 ASP 1 HB3 ASP 1 -4.049 15.127 3.629 5 H VAL 2 H VAL 2 -3.202 12.436 0.726 6 HA VAL 2 HA VAL 2 -5.113 10.293 0.884 7 HB VAL 2 HB VAL 2 -3.257 10.947 -1.406 8 HG11 VAL 2 HG11 VAL 2 -4.263 8.752 -1.582 9 HG12 VAL 2 HG12 VAL 2 -4.992 9.841 -2.763 10 HG13 VAL 2 HG13 VAL 2 -5.862 9.432 -1.283 11 HG21 VAL 2 HG21 VAL 2 -6.049 11.824 -1.574 12 HG22 VAL 2 HG22 VAL 2 -4.567 12.651 -2.053 13 HG23 VAL 2 HG23 VAL 2 -5.086 12.677 -0.369 14 H ASN 3 H ASN 3 -4.225 8.822 2.357 15 HA ASN 3 HA ASN 3 -1.891 7.337 1.344 16 HB2 ASN 3 HB2 ASN 3 -2.200 8.625 3.850 17 HB3 ASN 3 HB3 ASN 3 -2.261 6.892 4.155 18 HD21 ASN 3 HD21 ASN 3 -0.221 8.444 5.122 19 HD22 ASN 3 HD22 ASN 3 1.249 8.036 4.312 20 H GLU 4 H GLU 4 -1.952 5.095 1.459 21 HA GLU 4 HA GLU 4 -4.605 3.954 2.052 22 HB2 GLU 4 HB2 GLU 4 -2.569 2.962 0.050 23 HB3 GLU 4 HB3 GLU 4 -4.158 2.268 0.343 24 HG2 GLU 4 HG2 GLU 4 -4.852 4.804 -0.219 25 HG3 GLU 4 HG3 GLU 4 -3.385 4.659 -1.186 26 H CYS 5 H CYS 5 -1.391 4.007 3.028 27 HA CYS 5 HA CYS 5 -1.338 1.262 3.972 28 HB2 CYS 5 HB2 CYS 5 0.639 3.513 4.009 29 HB3 CYS 5 HB3 CYS 5 0.904 2.056 4.955 30 H ILE 6 H ILE 6 -3.282 1.671 5.322 31 HA ILE 6 HA ILE 6 -2.701 3.144 7.787 32 HB ILE 6 HB ILE 6 -5.343 1.970 6.988 33 HG12 ILE 6 HG12 ILE 6 -4.609 3.572 5.273 34 HG13 ILE 6 HG13 ILE 6 -5.972 4.200 6.194 35 HG21 ILE 6 HG21 ILE 6 -6.274 3.169 8.725 36 HG22 ILE 6 HG22 ILE 6 -4.934 4.315 8.787 37 HG23 ILE 6 HG23 ILE 6 -4.723 2.678 9.407 38 HD11 ILE 6 HD11 ILE 6 -3.219 5.179 5.986 39 HD12 ILE 6 HD12 ILE 6 -3.905 5.206 7.610 40 HD13 ILE 6 HD13 ILE 6 -4.720 6.051 6.293 41 H SER 7 H SER 7 -4.514 0.183 7.023 42 HA SER 7 HA SER 7 -3.412 -1.016 9.464 43 HB2 SER 7 HB2 SER 7 -6.007 -0.747 8.878 44 HB3 SER 7 HB3 SER 7 -5.711 -2.279 8.057 45 HG SER 7 HG SER 7 -6.061 -3.025 10.009 46 H ASN 8 H ASN 8 -1.598 -1.095 7.574 47 HA ASN 8 HA ASN 8 -0.301 -2.393 6.220 48 HB2 ASN 8 HB2 ASN 8 -0.145 -3.641 8.336 49 HB3 ASN 8 HB3 ASN 8 -1.551 -4.592 7.878 50 HD21 ASN 8 HD21 ASN 8 0.376 -6.100 8.462 51 HD22 ASN 8 HD22 ASN 8 1.234 -6.699 7.095 52 HA PRO 9 HA PRO 9 -3.607 -3.326 3.166 53 HB2 PRO 9 HB2 PRO 9 -1.988 -2.772 1.016 54 HB3 PRO 9 HB3 PRO 9 -2.972 -1.568 1.853 55 HG2 PRO 9 HG2 PRO 9 -0.059 -2.174 2.146 56 HG3 PRO 9 HG3 PRO 9 -0.882 -0.602 2.124 57 HD2 PRO 9 HD2 PRO 9 -0.052 -1.744 4.415 58 HD3 PRO 9 HD3 PRO 9 -1.535 -0.771 4.336 59 H CYS 10 H CYS 10 -0.185 -4.265 3.043 60 HA CYS 10 HA CYS 10 -0.277 -6.324 1.229 61 HB2 CYS 10 HB2 CYS 10 1.403 -5.748 3.616 62 HB3 CYS 10 HB3 CYS 10 1.508 -7.362 2.924 63 H GLN 11 H GLN 11 -0.512 -8.596 1.394 64 HA GLN 11 HA GLN 11 -2.280 -9.432 3.597 65 HB2 GLN 11 HB2 GLN 11 -2.344 -9.887 0.676 66 HB3 GLN 11 HB3 GLN 11 -2.766 -11.271 1.674 67 HG2 GLN 11 HG2 GLN 11 -4.078 -8.565 1.721 68 HG3 GLN 11 HG3 GLN 11 -4.746 -10.048 1.043 69 HE21 GLN 11 HE21 GLN 11 -4.114 -8.239 3.908 70 HE22 GLN 11 HE22 GLN 11 -4.965 -9.268 5.004 71 H ASN 12 H ASN 12 0.636 -9.547 3.647 72 HA ASN 12 HA ASN 12 0.875 -12.375 4.267 73 HB2 ASN 12 HB2 ASN 12 2.341 -11.031 2.057 74 HB3 ASN 12 HB3 ASN 12 3.234 -12.187 3.036 75 HD21 ASN 12 HD21 ASN 12 2.942 -12.714 0.459 76 HD22 ASN 12 HD22 ASN 12 1.830 -14.006 0.224 77 H ASP 13 H ASP 13 1.008 -9.570 5.542 78 HA ASP 13 HA ASP 13 2.018 -8.699 7.388 79 HB2 ASP 13 HB2 ASP 13 2.253 -11.269 7.894 80 HB3 ASP 13 HB3 ASP 13 3.952 -10.985 7.532 81 H ALA 14 H ALA 14 2.748 -7.508 5.247 82 HA ALA 14 HA ALA 14 5.681 -7.484 5.139 83 HB1 ALA 14 HB1 ALA 14 5.410 -7.470 2.940 84 HB2 ALA 14 HB2 ALA 14 4.603 -5.906 3.064 85 HB3 ALA 14 HB3 ALA 14 3.660 -7.393 3.132 86 H THR 15 H THR 15 6.305 -5.083 4.228 87 HA THR 15 HA THR 15 5.371 -3.270 6.344 88 HB THR 15 HB THR 15 7.915 -3.188 4.711 89 HG21 THR 15 HG21 THR 15 7.608 -0.977 5.323 90 HG22 THR 15 HG22 THR 15 8.607 -1.626 6.623 91 HG23 THR 15 HG23 THR 15 6.875 -1.403 6.870 92 H CYS 16 H CYS 16 5.231 -0.965 5.809 93 HA CYS 16 HA CYS 16 4.427 -0.525 3.008 94 HB2 CYS 16 HB2 CYS 16 2.889 -0.235 5.418 95 HB3 CYS 16 HB3 CYS 16 3.069 1.337 4.650 96 H LEU 17 H LEU 17 4.865 1.506 2.105 97 HA LEU 17 HA LEU 17 6.442 3.385 3.691 98 HB2 LEU 17 HB2 LEU 17 7.720 1.556 2.126 99 HB3 LEU 17 HB3 LEU 17 7.535 2.891 1.005 100 HG LEU 17 HG LEU 17 8.588 3.595 3.676 101 HD11 LEU 17 HD11 LEU 17 9.696 1.423 3.140 102 HD12 LEU 17 HD12 LEU 17 10.797 2.796 3.266 103 HD13 LEU 17 HD13 LEU 17 10.338 2.176 1.680 104 HD21 LEU 17 HD21 LEU 17 8.788 4.482 0.869 105 HD22 LEU 17 HD22 LEU 17 10.231 4.698 1.861 106 HD23 LEU 17 HD23 LEU 17 8.702 5.425 2.356 107 H ASP 18 H ASP 18 6.723 5.475 2.623 108 HA ASP 18 HA ASP 18 4.516 6.025 0.749 109 HB2 ASP 18 HB2 ASP 18 4.764 7.064 3.222 110 HB3 ASP 18 HB3 ASP 18 5.691 8.254 2.314 111 H GLN 19 H GLN 19 4.859 7.774 -0.788 112 HA GLN 19 HA GLN 19 7.661 8.379 -1.377 113 HB2 GLN 19 HB2 GLN 19 5.795 6.805 -3.063 114 HB3 GLN 19 HB3 GLN 19 6.798 7.989 -3.890 115 HG2 GLN 19 HG2 GLN 19 8.385 6.465 -2.050 116 HG3 GLN 19 HG3 GLN 19 7.487 5.391 -3.121 117 HE21 GLN 19 HE21 GLN 19 7.643 5.868 -5.448 118 HE22 GLN 19 HE22 GLN 19 9.148 6.452 -6.065 119 H ILE 20 H ILE 20 4.683 8.828 -3.239 120 HA ILE 20 HA ILE 20 4.991 11.733 -2.900 121 HB ILE 20 HB ILE 20 3.981 10.382 -5.400 122 HG12 ILE 20 HG12 ILE 20 6.518 11.843 -5.566 123 HG13 ILE 20 HG13 ILE 20 6.605 10.412 -4.544 124 HG21 ILE 20 HG21 ILE 20 4.546 12.745 -6.292 125 HG22 ILE 20 HG22 ILE 20 4.467 13.222 -4.597 126 HG23 ILE 20 HG23 ILE 20 3.057 12.506 -5.378 127 HD11 ILE 20 HD11 ILE 20 6.655 9.080 -6.308 128 HD12 ILE 20 HD12 ILE 20 6.812 10.523 -7.310 129 HD13 ILE 20 HD13 ILE 20 5.218 9.835 -6.998 130 H GLY 21 H GLY 21 2.586 9.513 -4.292 131 HA2 GLY 21 HA2 GLY 21 0.613 10.441 -2.346 132 HA3 GLY 21 HA3 GLY 21 0.273 10.763 -4.040 133 H GLU 22 H GLU 22 1.960 7.876 -3.078 134 HA GLU 22 HA GLU 22 -0.497 6.297 -3.366 135 HB2 GLU 22 HB2 GLU 22 0.810 4.656 -4.760 136 HB3 GLU 22 HB3 GLU 22 0.451 6.186 -5.549 137 HG2 GLU 22 HG2 GLU 22 2.599 6.624 -5.862 138 HG3 GLU 22 HG3 GLU 22 2.981 6.301 -4.172 139 H PHE 23 H PHE 23 0.249 3.829 -3.010 140 HA PHE 23 HA PHE 23 1.681 3.850 -0.450 141 HB2 PHE 23 HB2 PHE 23 0.488 1.730 0.016 142 HB3 PHE 23 HB3 PHE 23 -0.604 3.086 -0.251 143 HD1 PHE 23 HD1 PHE 23 -1.878 3.258 -2.334 144 HD2 PHE 23 HD2 PHE 23 0.543 -0.129 -1.460 145 HE1 PHE 23 HE1 PHE 23 -3.047 1.978 -4.083 146 HE2 PHE 23 HE2 PHE 23 -0.621 -1.419 -3.206 147 HZ PHE 23 HZ PHE 23 -2.418 -0.363 -4.521 148 H GLN 24 H GLN 24 3.429 2.580 -0.108 149 HA GLN 24 HA GLN 24 4.265 0.810 -2.309 150 HB2 GLN 24 HB2 GLN 24 5.517 3.139 -1.728 151 HB3 GLN 24 HB3 GLN 24 6.386 2.048 -0.656 152 HG2 GLN 24 HG2 GLN 24 7.265 0.819 -2.399 153 HG3 GLN 24 HG3 GLN 24 6.008 1.327 -3.527 154 HE21 GLN 24 HE21 GLN 24 6.545 2.816 -4.949 155 HE22 GLN 24 HE22 GLN 24 7.874 3.913 -4.822 156 H CYS 25 H CYS 25 3.624 -1.089 -1.359 157 HA CYS 25 HA CYS 25 4.456 -1.684 1.365 158 HB2 CYS 25 HB2 CYS 25 2.195 -2.325 0.134 159 HB3 CYS 25 HB3 CYS 25 3.141 -3.719 -0.378 160 H ILE 26 H ILE 26 6.163 -2.890 1.904 161 HA ILE 26 HA ILE 26 7.876 -3.886 -0.228 162 HB ILE 26 HB ILE 26 8.421 -3.917 2.740 163 HG12 ILE 26 HG12 ILE 26 9.135 -1.809 0.688 164 HG13 ILE 26 HG13 ILE 26 7.969 -1.622 1.994 165 HG21 ILE 26 HG21 ILE 26 10.578 -3.699 0.736 166 HG22 ILE 26 HG22 ILE 26 9.740 -5.248 0.823 167 HG23 ILE 26 HG23 ILE 26 10.525 -4.589 2.258 168 HD11 ILE 26 HD11 ILE 26 10.935 -1.664 2.090 169 HD12 ILE 26 HD12 ILE 26 10.031 -2.241 3.490 170 HD13 ILE 26 HD13 ILE 26 9.788 -0.597 2.900 171 H CYS 27 H CYS 27 7.885 -5.933 -0.854 172 HA CYS 27 HA CYS 27 6.388 -7.913 0.629 173 HB2 CYS 27 HB2 CYS 27 7.496 -7.659 -2.092 174 HB3 CYS 27 HB3 CYS 27 7.483 -9.293 -1.445 175 H MET 28 H MET 28 7.571 -10.244 0.339 176 HA MET 28 HA MET 28 9.827 -10.079 2.148 177 HB2 MET 28 HB2 MET 28 7.809 -12.034 1.468 178 HB3 MET 28 HB3 MET 28 9.408 -12.763 1.424 179 HG2 MET 28 HG2 MET 28 9.569 -11.405 3.741 180 HG3 MET 28 HG3 MET 28 7.842 -11.756 3.700 181 HE1 MET 28 HE1 MET 28 11.457 -13.355 4.295 182 HE2 MET 28 HE2 MET 28 10.732 -14.324 5.578 183 HE3 MET 28 HE3 MET 28 10.452 -12.584 5.522 184 HA PRO 29 HA PRO 29 13.050 -10.958 -0.735 185 HB2 PRO 29 HB2 PRO 29 14.532 -12.890 0.388 186 HB3 PRO 29 HB3 PRO 29 14.447 -11.262 1.066 187 HG2 PRO 29 HG2 PRO 29 12.997 -13.742 1.912 188 HG3 PRO 29 HG3 PRO 29 13.785 -12.511 2.916 189 HD2 PRO 29 HD2 PRO 29 11.100 -12.580 2.482 190 HD3 PRO 29 HD3 PRO 29 11.994 -11.076 2.783 191 H GLY 30 H GLY 30 11.299 -11.846 -2.211 192 HA2 GLY 30 HA2 GLY 30 11.702 -13.536 -4.003 193 HA3 GLY 30 HA3 GLY 30 11.781 -14.720 -2.708 194 H TYR 31 H TYR 31 9.486 -12.048 -3.009 195 HA TYR 31 HA TYR 31 7.329 -14.046 -3.178 196 HB2 TYR 31 HB2 TYR 31 7.617 -11.504 -1.667 197 HB3 TYR 31 HB3 TYR 31 6.023 -11.870 -2.311 198 HD1 TYR 31 HD1 TYR 31 8.577 -14.214 -0.962 199 HD2 TYR 31 HD2 TYR 31 4.764 -12.409 -0.418 200 HE1 TYR 31 HE1 TYR 31 8.154 -15.699 0.951 201 HE2 TYR 31 HE2 TYR 31 4.330 -13.889 1.497 202 HH TYR 31 HH TYR 31 5.614 -16.545 2.098 203 H GLU 32 H GLU 32 5.213 -12.675 -3.949 204 HA GLU 32 HA GLU 32 5.849 -10.978 -6.217 205 HB2 GLU 32 HB2 GLU 32 4.517 -12.398 -7.778 206 HB3 GLU 32 HB3 GLU 32 6.026 -13.136 -7.257 207 HG2 GLU 32 HG2 GLU 32 4.717 -14.408 -5.551 208 HG3 GLU 32 HG3 GLU 32 3.249 -13.780 -6.301 209 H GLY 33 H GLY 33 3.555 -10.678 -7.468 210 HA2 GLY 33 HA2 GLY 33 1.255 -10.212 -7.260 211 HA3 GLY 33 HA3 GLY 33 1.380 -10.484 -5.529 212 H VAL 34 H VAL 34 -0.051 -8.373 -6.198 213 HA VAL 34 HA VAL 34 1.634 -6.003 -6.289 214 HB VAL 34 HB VAL 34 -1.377 -6.146 -6.094 215 HG11 VAL 34 HG11 VAL 34 -0.036 -3.870 -7.391 216 HG12 VAL 34 HG12 VAL 34 0.205 -4.004 -5.649 217 HG13 VAL 34 HG13 VAL 34 -1.427 -3.904 -6.308 218 HG21 VAL 34 HG21 VAL 34 0.065 -7.124 -8.178 219 HG22 VAL 34 HG22 VAL 34 -0.150 -5.444 -8.669 220 HG23 VAL 34 HG23 VAL 34 -1.557 -6.447 -8.317 221 H TYR 35 H TYR 35 -0.912 -7.318 -4.168 222 HA TYR 35 HA TYR 35 0.010 -5.556 -2.018 223 HB2 TYR 35 HB2 TYR 35 -2.526 -6.975 -2.632 224 HB3 TYR 35 HB3 TYR 35 -2.116 -6.792 -0.931 225 HD1 TYR 35 HD1 TYR 35 -1.805 -4.566 -3.924 226 HD2 TYR 35 HD2 TYR 35 -3.311 -5.066 0.023 227 HE1 TYR 35 HE1 TYR 35 -2.678 -2.268 -3.972 228 HE2 TYR 35 HE2 TYR 35 -4.188 -2.769 -0.014 229 HH TYR 35 HH TYR 35 -4.923 -1.115 -2.173 230 H CYS 36 H CYS 36 1.454 -7.989 -2.958 231 HA CYS 36 HA CYS 36 2.533 -9.810 -2.129 232 HB2 CYS 36 HB2 CYS 36 2.776 -7.746 -0.298 233 HB3 CYS 36 HB3 CYS 36 2.293 -9.116 0.692 234 H GLU 37 H GLU 37 1.294 -11.562 -2.469 235 HA GLU 37 HA GLU 37 0.126 -12.893 -0.277 236 HB2 GLU 37 HB2 GLU 37 -1.686 -11.315 -0.511 237 HB3 GLU 37 HB3 GLU 37 -1.798 -11.629 -2.236 238 HG2 GLU 37 HG2 GLU 37 -3.592 -12.766 -1.200 239 HG3 GLU 37 HG3 GLU 37 -2.415 -13.990 -1.671 240 H ILE 38 H ILE 38 0.419 -12.530 -3.755 241 HA ILE 38 HA ILE 38 -0.155 -15.343 -4.222 242 HB ILE 38 HB ILE 38 0.833 -13.378 -6.277 243 HG12 ILE 38 HG12 ILE 38 -1.129 -12.414 -5.112 244 HG13 ILE 38 HG13 ILE 38 -1.481 -12.821 -6.788 245 HG21 ILE 38 HG21 ILE 38 0.827 -15.339 -7.391 246 HG22 ILE 38 HG22 ILE 38 -0.896 -14.998 -7.543 247 HG23 ILE 38 HG23 ILE 38 -0.322 -16.089 -6.282 248 HD11 ILE 38 HD11 ILE 38 -2.321 -15.067 -5.715 249 HD12 ILE 38 HD12 ILE 38 -3.344 -13.632 -5.767 250 HD13 ILE 38 HD13 ILE 38 -2.486 -14.049 -4.283 251 H1 FUC 39 H1 FUC 39 9.829 -3.236 6.473 252 H2 FUC 39 H2 FUC 39 10.866 -5.166 7.591 253 H3 FUC 39 H3 FUC 39 8.012 -6.214 7.862 254 H4 FUC 39 H4 FUC 39 8.697 -7.991 6.357 255 H5 FUC 39 H5 FUC 39 7.761 -5.954 5.341 256 H61 FUC 39 H61 FUC 39 10.154 -7.006 3.750 257 H62 FUC 39 H62 FUC 39 8.776 -6.077 3.078 258 H63 FUC 39 H63 FUC 39 8.508 -7.710 3.763 259 HO2 FUC 39 HO2 FUC 39 9.945 -3.459 8.870 260 HO4 FUC 39 HO4 FUC 39 11.188 -6.577 6.216 261 H1 NAG 40 H1 NAG 40 8.239 -8.651 8.732 262 H2 NAG 40 H2 NAG 40 9.980 -8.006 11.185 263 H3 NAG 40 H3 NAG 40 8.048 -10.347 10.730 264 H4 NAG 40 H4 NAG 40 7.754 -7.942 12.614 265 H5 NAG 40 H5 NAG 40 6.227 -8.591 10.019 266 H61 NAG 40 H61 NAG 40 5.174 -6.443 10.262 267 H62 NAG 40 H62 NAG 40 6.141 -6.069 11.707 268 H81 NAG 40 H81 NAG 40 12.206 -11.062 8.937 269 H82 NAG 40 H82 NAG 40 12.904 -11.521 10.519 270 H83 NAG 40 H83 NAG 40 13.531 -10.092 9.645 271 HN2 NAG 40 HN2 NAG 40 10.198 -10.198 9.220 272 HO3 NAG 40 HO3 NAG 40 9.465 -9.457 13.038 273 HO4 NAG 40 HO4 NAG 40 6.747 -10.039 13.105 274 HO6 NAG 40 HO6 NAG 40 3.922 -7.762 11.426 Start of MODEL 18 1 H1 ASP 1 H1 ASP 1 -6.661 13.778 1.016 2 HA ASP 1 HA ASP 1 -7.286 12.399 3.499 3 HB2 ASP 1 HB2 ASP 1 -8.890 12.786 1.485 4 HB3 ASP 1 HB3 ASP 1 -8.053 11.412 0.769 5 H VAL 2 H VAL 2 -5.239 11.622 4.101 6 HA VAL 2 HA VAL 2 -3.540 10.131 2.416 7 HB VAL 2 HB VAL 2 -2.579 9.254 4.599 8 HG11 VAL 2 HG11 VAL 2 -1.763 11.570 5.274 9 HG12 VAL 2 HG12 VAL 2 -2.807 12.189 3.995 10 HG13 VAL 2 HG13 VAL 2 -1.491 11.084 3.600 11 HG21 VAL 2 HG21 VAL 2 -3.487 9.751 6.605 12 HG22 VAL 2 HG22 VAL 2 -4.971 9.899 5.665 13 HG23 VAL 2 HG23 VAL 2 -4.042 11.340 6.081 14 H ASN 3 H ASN 3 -4.657 8.532 1.328 15 HA ASN 3 HA ASN 3 -5.644 6.314 2.999 16 HB2 ASN 3 HB2 ASN 3 -7.228 7.759 1.367 17 HB3 ASN 3 HB3 ASN 3 -6.654 6.552 0.221 18 HD21 ASN 3 HD21 ASN 3 -9.206 6.450 0.552 19 HD22 ASN 3 HD22 ASN 3 -9.706 5.169 1.596 20 H GLU 4 H GLU 4 -3.513 5.420 2.960 21 HA GLU 4 HA GLU 4 -3.002 3.914 0.505 22 HB2 GLU 4 HB2 GLU 4 -0.453 4.374 1.194 23 HB3 GLU 4 HB3 GLU 4 -1.330 5.384 0.054 24 HG2 GLU 4 HG2 GLU 4 -1.591 6.164 2.874 25 HG3 GLU 4 HG3 GLU 4 0.029 6.311 2.192 26 H CYS 5 H CYS 5 -1.067 4.288 3.445 27 HA CYS 5 HA CYS 5 -1.424 1.414 3.939 28 HB2 CYS 5 HB2 CYS 5 0.852 3.256 4.187 29 HB3 CYS 5 HB3 CYS 5 0.661 2.153 5.546 30 H ILE 6 H ILE 6 -3.339 1.520 5.116 31 HA ILE 6 HA ILE 6 -3.243 3.013 7.640 32 HB ILE 6 HB ILE 6 -5.583 1.920 6.105 33 HG12 ILE 6 HG12 ILE 6 -6.257 4.315 6.047 34 HG13 ILE 6 HG13 ILE 6 -4.741 4.729 6.841 35 HG21 ILE 6 HG21 ILE 6 -6.039 1.571 8.444 36 HG22 ILE 6 HG22 ILE 6 -6.999 2.932 7.866 37 HG23 ILE 6 HG23 ILE 6 -5.546 3.221 8.822 38 HD11 ILE 6 HD11 ILE 6 -4.968 4.940 4.269 39 HD12 ILE 6 HD12 ILE 6 -4.695 3.197 4.286 40 HD13 ILE 6 HD13 ILE 6 -3.487 4.286 4.969 41 H SER 7 H SER 7 -5.061 0.116 6.730 42 HA SER 7 HA SER 7 -4.103 -1.165 9.185 43 HB2 SER 7 HB2 SER 7 -6.642 -0.832 8.487 44 HB3 SER 7 HB3 SER 7 -6.343 -2.317 7.583 45 HG SER 7 HG SER 7 -6.556 -3.328 9.399 46 H ASN 8 H ASN 8 -2.166 -1.254 7.425 47 HA ASN 8 HA ASN 8 -0.778 -2.576 6.197 48 HB2 ASN 8 HB2 ASN 8 -0.919 -3.949 8.228 49 HB3 ASN 8 HB3 ASN 8 -2.336 -4.766 7.584 50 HD21 ASN 8 HD21 ASN 8 -0.596 -6.447 8.262 51 HD22 ASN 8 HD22 ASN 8 0.351 -7.042 6.954 52 HA PRO 9 HA PRO 9 -3.858 -3.071 2.782 53 HB2 PRO 9 HB2 PRO 9 -1.956 -2.448 0.871 54 HB3 PRO 9 HB3 PRO 9 -3.046 -1.287 1.628 55 HG2 PRO 9 HG2 PRO 9 -0.196 -1.909 2.261 56 HG3 PRO 9 HG3 PRO 9 -1.029 -0.343 2.253 57 HD2 PRO 9 HD2 PRO 9 -0.473 -1.637 4.540 58 HD3 PRO 9 HD3 PRO 9 -1.962 -0.688 4.345 59 H CYS 10 H CYS 10 -0.499 -4.186 2.985 60 HA CYS 10 HA CYS 10 -0.578 -6.134 1.000 61 HB2 CYS 10 HB2 CYS 10 1.098 -5.597 3.374 62 HB3 CYS 10 HB3 CYS 10 1.131 -7.254 2.779 63 H GLN 11 H GLN 11 -0.213 -8.583 1.674 64 HA GLN 11 HA GLN 11 -2.303 -9.369 3.582 65 HB2 GLN 11 HB2 GLN 11 -2.290 -9.757 0.693 66 HB3 GLN 11 HB3 GLN 11 -2.472 -11.270 1.569 67 HG2 GLN 11 HG2 GLN 11 -4.178 -8.845 2.059 68 HG3 GLN 11 HG3 GLN 11 -4.603 -10.136 0.937 69 HE21 GLN 11 HE21 GLN 11 -6.110 -9.342 3.200 70 HE22 GLN 11 HE22 GLN 11 -6.166 -10.681 4.290 71 H ASN 12 H ASN 12 0.659 -9.376 3.683 72 HA ASN 12 HA ASN 12 0.953 -12.168 4.457 73 HB2 ASN 12 HB2 ASN 12 2.477 -10.842 2.275 74 HB3 ASN 12 HB3 ASN 12 3.366 -11.920 3.341 75 HD21 ASN 12 HD21 ASN 12 3.331 -12.639 0.853 76 HD22 ASN 12 HD22 ASN 12 2.251 -13.950 0.574 77 H ASP 13 H ASP 13 0.951 -9.272 5.592 78 HA ASP 13 HA ASP 13 1.843 -8.289 7.442 79 HB2 ASP 13 HB2 ASP 13 2.219 -10.929 7.955 80 HB3 ASP 13 HB3 ASP 13 3.888 -10.367 7.948 81 H ALA 14 H ALA 14 2.706 -7.418 5.088 82 HA ALA 14 HA ALA 14 5.610 -7.375 5.037 83 HB1 ALA 14 HB1 ALA 14 4.598 -5.606 3.111 84 HB2 ALA 14 HB2 ALA 14 3.493 -6.980 3.144 85 HB3 ALA 14 HB3 ALA 14 5.213 -7.239 2.859 86 H THR 15 H THR 15 6.546 -5.093 4.475 87 HA THR 15 HA THR 15 5.839 -3.373 6.712 88 HB THR 15 HB THR 15 8.140 -3.255 4.751 89 HG21 THR 15 HG21 THR 15 9.182 -1.647 6.188 90 HG22 THR 15 HG22 THR 15 7.816 -1.695 7.301 91 HG23 THR 15 HG23 THR 15 7.609 -1.029 5.681 92 H CYS 16 H CYS 16 5.513 -1.099 6.478 93 HA CYS 16 HA CYS 16 4.350 -0.370 3.871 94 HB2 CYS 16 HB2 CYS 16 3.454 0.040 6.653 95 HB3 CYS 16 HB3 CYS 16 3.275 1.438 5.598 96 H LEU 17 H LEU 17 5.153 1.342 2.814 97 HA LEU 17 HA LEU 17 6.707 3.344 4.265 98 HB2 LEU 17 HB2 LEU 17 8.021 1.315 3.032 99 HB3 LEU 17 HB3 LEU 17 7.920 2.475 1.721 100 HG LEU 17 HG LEU 17 8.847 3.586 4.288 101 HD11 LEU 17 HD11 LEU 17 10.046 1.594 4.553 102 HD12 LEU 17 HD12 LEU 17 11.183 2.699 3.778 103 HD13 LEU 17 HD13 LEU 17 10.372 1.456 2.826 104 HD21 LEU 17 HD21 LEU 17 10.572 4.529 2.665 105 HD22 LEU 17 HD22 LEU 17 8.895 5.030 2.439 106 HD23 LEU 17 HD23 LEU 17 9.596 3.799 1.388 107 H ASP 18 H ASP 18 5.737 5.192 3.776 108 HA ASP 18 HA ASP 18 4.292 5.537 1.306 109 HB2 ASP 18 HB2 ASP 18 3.846 6.516 3.745 110 HB3 ASP 18 HB3 ASP 18 4.822 7.841 3.120 111 H GLN 19 H GLN 19 4.707 7.133 -0.275 112 HA GLN 19 HA GLN 19 7.512 8.027 -0.369 113 HB2 GLN 19 HB2 GLN 19 5.721 6.981 -2.547 114 HB3 GLN 19 HB3 GLN 19 7.136 7.958 -2.913 115 HG2 GLN 19 HG2 GLN 19 8.376 6.212 -1.428 116 HG3 GLN 19 HG3 GLN 19 6.974 5.205 -1.787 117 HE21 GLN 19 HE21 GLN 19 9.976 5.483 -2.639 118 HE22 GLN 19 HE22 GLN 19 9.902 5.186 -4.340 119 H ILE 20 H ILE 20 4.771 8.808 -2.464 120 HA ILE 20 HA ILE 20 4.937 11.597 -1.559 121 HB ILE 20 HB ILE 20 4.549 10.766 -4.432 122 HG12 ILE 20 HG12 ILE 20 6.975 12.260 -3.661 123 HG13 ILE 20 HG13 ILE 20 6.912 10.596 -3.090 124 HG21 ILE 20 HG21 ILE 20 5.101 13.489 -3.267 125 HG22 ILE 20 HG22 ILE 20 3.499 12.903 -3.714 126 HG23 ILE 20 HG23 ILE 20 4.742 13.099 -4.949 127 HD11 ILE 20 HD11 ILE 20 7.871 10.199 -5.083 128 HD12 ILE 20 HD12 ILE 20 7.202 11.654 -5.820 129 HD13 ILE 20 HD13 ILE 20 6.198 10.216 -5.640 130 H GLY 21 H GLY 21 2.969 9.731 -3.860 131 HA2 GLY 21 HA2 GLY 21 0.576 10.650 -2.387 132 HA3 GLY 21 HA3 GLY 21 0.636 10.580 -4.141 133 H GLU 22 H GLU 22 2.005 8.075 -4.333 134 HA GLU 22 HA GLU 22 -0.257 6.324 -3.804 135 HB2 GLU 22 HB2 GLU 22 2.309 5.815 -5.322 136 HB3 GLU 22 HB3 GLU 22 0.941 4.713 -5.233 137 HG2 GLU 22 HG2 GLU 22 -0.067 7.198 -6.098 138 HG3 GLU 22 HG3 GLU 22 1.397 6.880 -7.028 139 H PHE 23 H PHE 23 0.385 3.983 -3.203 140 HA PHE 23 HA PHE 23 1.968 4.152 -0.753 141 HB2 PHE 23 HB2 PHE 23 0.874 2.015 -0.158 142 HB3 PHE 23 HB3 PHE 23 -0.285 3.300 -0.484 143 HD1 PHE 23 HD1 PHE 23 1.170 0.177 -1.724 144 HD2 PHE 23 HD2 PHE 23 -1.755 3.199 -2.363 145 HE1 PHE 23 HE1 PHE 23 0.056 -1.261 -3.384 146 HE2 PHE 23 HE2 PHE 23 -2.878 1.768 -4.024 147 HZ PHE 23 HZ PHE 23 -1.972 -0.465 -4.535 148 H GLN 24 H GLN 24 3.310 2.258 -0.164 149 HA GLN 24 HA GLN 24 4.339 0.700 -2.396 150 HB2 GLN 24 HB2 GLN 24 5.645 2.867 -2.271 151 HB3 GLN 24 HB3 GLN 24 6.225 2.335 -0.698 152 HG2 GLN 24 HG2 GLN 24 6.722 0.177 -2.354 153 HG3 GLN 24 HG3 GLN 24 7.098 1.582 -3.352 154 HE21 GLN 24 HE21 GLN 24 8.970 -0.324 -2.433 155 HE22 GLN 24 HE22 GLN 24 10.082 0.486 -1.388 156 H CYS 25 H CYS 25 3.722 -1.188 -1.434 157 HA CYS 25 HA CYS 25 4.486 -1.729 1.320 158 HB2 CYS 25 HB2 CYS 25 2.253 -2.393 0.130 159 HB3 CYS 25 HB3 CYS 25 3.198 -3.745 -0.485 160 H ILE 26 H ILE 26 6.177 -2.928 1.931 161 HA ILE 26 HA ILE 26 7.945 -3.969 -0.143 162 HB ILE 26 HB ILE 26 8.457 -3.893 2.829 163 HG12 ILE 26 HG12 ILE 26 9.292 -1.838 0.772 164 HG13 ILE 26 HG13 ILE 26 7.932 -1.631 1.871 165 HG21 ILE 26 HG21 ILE 26 10.569 -3.742 0.738 166 HG22 ILE 26 HG22 ILE 26 9.820 -5.302 1.077 167 HG23 ILE 26 HG23 ILE 26 10.636 -4.418 2.366 168 HD11 ILE 26 HD11 ILE 26 10.093 -0.526 2.535 169 HD12 ILE 26 HD12 ILE 26 10.727 -2.145 2.834 170 HD13 ILE 26 HD13 ILE 26 9.342 -1.556 3.755 171 H CYS 27 H CYS 27 7.834 -6.026 -0.736 172 HA CYS 27 HA CYS 27 6.630 -7.975 1.092 173 HB2 CYS 27 HB2 CYS 27 5.832 -7.629 -1.333 174 HB3 CYS 27 HB3 CYS 27 7.305 -8.475 -1.799 175 H MET 28 H MET 28 7.571 -10.159 1.160 176 HA MET 28 HA MET 28 10.270 -10.104 1.913 177 HB2 MET 28 HB2 MET 28 8.131 -12.031 1.834 178 HB3 MET 28 HB3 MET 28 9.623 -12.776 1.283 179 HG2 MET 28 HG2 MET 28 10.539 -11.508 3.456 180 HG3 MET 28 HG3 MET 28 8.870 -11.780 3.952 181 HE1 MET 28 HE1 MET 28 11.797 -13.439 5.307 182 HE2 MET 28 HE2 MET 28 12.231 -12.838 3.707 183 HE3 MET 28 HE3 MET 28 12.303 -14.567 4.049 184 HA PRO 29 HA PRO 29 12.503 -10.978 -1.796 185 HB2 PRO 29 HB2 PRO 29 14.367 -12.752 -1.091 186 HB3 PRO 29 HB3 PRO 29 14.353 -11.117 -0.422 187 HG2 PRO 29 HG2 PRO 29 13.382 -13.672 0.802 188 HG3 PRO 29 HG3 PRO 29 14.314 -12.359 1.546 189 HD2 PRO 29 HD2 PRO 29 11.602 -12.656 1.822 190 HD3 PRO 29 HD3 PRO 29 12.443 -11.099 1.946 191 H GLY 30 H GLY 30 11.936 -12.038 -3.588 192 HA2 GLY 30 HA2 GLY 30 11.575 -13.832 -5.012 193 HA3 GLY 30 HA3 GLY 30 11.850 -14.920 -3.660 194 H TYR 31 H TYR 31 9.509 -12.316 -3.578 195 HA TYR 31 HA TYR 31 7.380 -14.336 -3.413 196 HB2 TYR 31 HB2 TYR 31 7.862 -11.746 -2.062 197 HB3 TYR 31 HB3 TYR 31 6.191 -12.090 -2.493 198 HD1 TYR 31 HD1 TYR 31 9.118 -13.685 -0.809 199 HD2 TYR 31 HD2 TYR 31 4.886 -13.309 -1.019 200 HE1 TYR 31 HE1 TYR 31 8.900 -15.096 1.193 201 HE2 TYR 31 HE2 TYR 31 4.656 -14.719 0.982 202 HH TYR 31 HH TYR 31 5.976 -15.405 2.914 203 H GLU 32 H GLU 32 5.149 -12.989 -3.913 204 HA GLU 32 HA GLU 32 5.440 -11.483 -6.388 205 HB2 GLU 32 HB2 GLU 32 4.303 -14.232 -6.194 206 HB3 GLU 32 HB3 GLU 32 3.521 -13.090 -7.279 207 HG2 GLU 32 HG2 GLU 32 5.905 -12.694 -8.193 208 HG3 GLU 32 HG3 GLU 32 6.281 -14.224 -7.402 209 H GLY 33 H GLY 33 2.970 -11.172 -7.242 210 HA2 GLY 33 HA2 GLY 33 0.764 -10.568 -6.676 211 HA3 GLY 33 HA3 GLY 33 1.192 -10.686 -4.977 212 H VAL 34 H VAL 34 -0.277 -8.556 -5.907 213 HA VAL 34 HA VAL 34 1.546 -6.324 -6.302 214 HB VAL 34 HB VAL 34 -1.460 -6.252 -6.030 215 HG11 VAL 34 HG11 VAL 34 0.604 -4.254 -6.897 216 HG12 VAL 34 HG12 VAL 34 -0.657 -4.083 -5.676 217 HG13 VAL 34 HG13 VAL 34 -1.085 -4.115 -7.388 218 HG21 VAL 34 HG21 VAL 34 -0.270 -5.919 -8.693 219 HG22 VAL 34 HG22 VAL 34 -1.719 -6.793 -8.197 220 HG23 VAL 34 HG23 VAL 34 -0.132 -7.542 -8.019 221 H TYR 35 H TYR 35 -0.431 -7.748 -3.804 222 HA TYR 35 HA TYR 35 0.430 -5.617 -1.959 223 HB2 TYR 35 HB2 TYR 35 -2.161 -7.044 -2.261 224 HB3 TYR 35 HB3 TYR 35 -1.639 -6.678 -0.622 225 HD1 TYR 35 HD1 TYR 35 -0.301 -4.053 -1.051 226 HD2 TYR 35 HD2 TYR 35 -3.954 -5.587 -2.603 227 HE1 TYR 35 HE1 TYR 35 -1.150 -1.761 -1.304 228 HE2 TYR 35 HE2 TYR 35 -4.813 -3.298 -2.860 229 HH TYR 35 HH TYR 35 -3.959 -1.025 -3.085 230 H CYS 36 H CYS 36 1.998 -7.909 -2.619 231 HA CYS 36 HA CYS 36 3.140 -9.649 -1.681 232 HB2 CYS 36 HB2 CYS 36 3.633 -7.646 -0.157 233 HB3 CYS 36 HB3 CYS 36 2.501 -8.378 0.975 234 H GLU 37 H GLU 37 1.591 -11.246 -2.235 235 HA GLU 37 HA GLU 37 0.528 -12.623 0.063 236 HB2 GLU 37 HB2 GLU 37 -1.337 -11.171 -0.325 237 HB3 GLU 37 HB3 GLU 37 -1.303 -11.485 -2.053 238 HG2 GLU 37 HG2 GLU 37 -3.134 -12.679 -1.119 239 HG3 GLU 37 HG3 GLU 37 -1.897 -13.852 -1.569 240 H ILE 38 H ILE 38 0.706 -12.441 -3.473 241 HA ILE 38 HA ILE 38 0.517 -15.335 -3.693 242 HB ILE 38 HB ILE 38 0.776 -13.177 -5.791 243 HG12 ILE 38 HG12 ILE 38 -1.518 -13.921 -6.391 244 HG13 ILE 38 HG13 ILE 38 -1.493 -15.027 -5.022 245 HG21 ILE 38 HG21 ILE 38 1.918 -15.133 -6.612 246 HG22 ILE 38 HG22 ILE 38 0.368 -14.983 -7.439 247 HG23 ILE 38 HG23 ILE 38 0.566 -16.165 -6.146 248 HD11 ILE 38 HD11 ILE 38 -1.736 -13.354 -3.494 249 HD12 ILE 38 HD12 ILE 38 -2.623 -12.671 -4.856 250 HD13 ILE 38 HD13 ILE 38 -0.972 -12.147 -4.527 251 H1 FUC 39 H1 FUC 39 10.234 -3.320 6.296 252 H2 FUC 39 H2 FUC 39 11.422 -5.191 7.345 253 H3 FUC 39 H3 FUC 39 8.644 -6.336 7.880 254 H4 FUC 39 H4 FUC 39 9.256 -8.110 6.343 255 H5 FUC 39 H5 FUC 39 8.163 -6.122 5.387 256 H61 FUC 39 H61 FUC 39 8.979 -6.253 3.043 257 H62 FUC 39 H62 FUC 39 10.444 -7.115 3.604 258 H63 FUC 39 H63 FUC 39 8.836 -7.882 3.775 259 HO2 FUC 39 HO2 FUC 39 9.194 -4.257 8.886 260 HO4 FUC 39 HO4 FUC 39 11.671 -6.611 5.957 261 H1 NAG 40 H1 NAG 40 9.056 -8.761 8.731 262 H2 NAG 40 H2 NAG 40 10.942 -8.008 11.040 263 H3 NAG 40 H3 NAG 40 9.104 -10.448 10.742 264 H4 NAG 40 H4 NAG 40 8.835 -8.047 12.634 265 H5 NAG 40 H5 NAG 40 7.146 -8.788 10.168 266 H61 NAG 40 H61 NAG 40 6.094 -6.599 10.482 267 H62 NAG 40 H62 NAG 40 5.813 -7.687 11.860 268 H81 NAG 40 H81 NAG 40 13.254 -10.491 8.035 269 H82 NAG 40 H82 NAG 40 14.587 -9.610 8.835 270 H83 NAG 40 H83 NAG 40 13.789 -10.974 9.671 271 HN2 NAG 40 HN2 NAG 40 11.196 -10.559 9.648 272 HO3 NAG 40 HO3 NAG 40 11.097 -10.518 12.051 273 HO4 NAG 40 HO4 NAG 40 7.346 -10.403 12.171 274 HO6 NAG 40 HO6 NAG 40 6.711 -6.201 13.069 Start of MODEL 19 1 H1 ASP 1 H1 ASP 1 -6.169 6.963 -7.728 2 HA ASP 1 HA ASP 1 -7.297 4.820 -7.306 3 HB2 ASP 1 HB2 ASP 1 -4.505 5.320 -6.470 4 HB3 ASP 1 HB3 ASP 1 -5.211 3.813 -5.894 5 H VAL 2 H VAL 2 -6.442 6.740 -4.520 6 HA VAL 2 HA VAL 2 -7.235 6.776 -2.386 7 HB VAL 2 HB VAL 2 -9.334 4.806 -3.295 8 HG11 VAL 2 HG11 VAL 2 -10.667 6.011 -1.524 9 HG12 VAL 2 HG12 VAL 2 -9.154 6.758 -1.012 10 HG13 VAL 2 HG13 VAL 2 -9.343 5.007 -0.935 11 HG21 VAL 2 HG21 VAL 2 -10.727 6.894 -3.639 12 HG22 VAL 2 HG22 VAL 2 -9.478 6.585 -4.845 13 HG23 VAL 2 HG23 VAL 2 -9.214 7.798 -3.592 14 H ASN 3 H ASN 3 -7.386 5.487 -0.415 15 HA ASN 3 HA ASN 3 -6.647 3.866 0.995 16 HB2 ASN 3 HB2 ASN 3 -7.913 2.495 -1.158 17 HB3 ASN 3 HB3 ASN 3 -6.480 1.576 -0.705 18 HD21 ASN 3 HD21 ASN 3 -9.280 0.903 -0.379 19 HD22 ASN 3 HD22 ASN 3 -9.524 0.649 1.312 20 H GLU 4 H GLU 4 -4.586 4.406 1.459 21 HA GLU 4 HA GLU 4 -2.478 3.530 -0.390 22 HB2 GLU 4 HB2 GLU 4 -2.768 5.996 0.486 23 HB3 GLU 4 HB3 GLU 4 -1.944 5.369 1.906 24 HG2 GLU 4 HG2 GLU 4 -0.569 4.558 -0.478 25 HG3 GLU 4 HG3 GLU 4 -0.801 6.304 -0.463 26 H CYS 5 H CYS 5 -2.551 4.098 3.115 27 HA CYS 5 HA CYS 5 -1.903 1.320 3.634 28 HB2 CYS 5 HB2 CYS 5 0.210 2.956 3.243 29 HB3 CYS 5 HB3 CYS 5 -0.053 3.198 4.965 30 H ILE 6 H ILE 6 -4.124 1.777 4.505 31 HA ILE 6 HA ILE 6 -4.078 3.165 7.079 32 HB ILE 6 HB ILE 6 -6.371 2.199 5.398 33 HG12 ILE 6 HG12 ILE 6 -6.918 4.629 5.326 34 HG13 ILE 6 HG13 ILE 6 -5.425 4.955 6.199 35 HG21 ILE 6 HG21 ILE 6 -6.273 3.002 8.236 36 HG22 ILE 6 HG22 ILE 6 -7.400 1.936 7.396 37 HG23 ILE 6 HG23 ILE 6 -7.582 3.686 7.271 38 HD11 ILE 6 HD11 ILE 6 -4.108 4.496 4.391 39 HD12 ILE 6 HD12 ILE 6 -5.537 5.160 3.600 40 HD13 ILE 6 HD13 ILE 6 -5.294 3.414 3.661 41 H SER 7 H SER 7 -5.975 0.366 6.036 42 HA SER 7 HA SER 7 -5.396 -0.927 8.583 43 HB2 SER 7 HB2 SER 7 -7.746 -0.678 7.422 44 HB3 SER 7 HB3 SER 7 -7.230 -2.113 6.535 45 HG SER 7 HG SER 7 -8.031 -1.856 9.137 46 H ASN 8 H ASN 8 -3.122 -0.990 7.308 47 HA ASN 8 HA ASN 8 -1.476 -2.283 6.411 48 HB2 ASN 8 HB2 ASN 8 -2.026 -3.668 8.356 49 HB3 ASN 8 HB3 ASN 8 -3.266 -4.499 7.428 50 HD21 ASN 8 HD21 ASN 8 -1.685 -6.159 8.462 51 HD22 ASN 8 HD22 ASN 8 -0.479 -6.742 7.382 52 HA PRO 9 HA PRO 9 -3.605 -2.869 2.386 53 HB2 PRO 9 HB2 PRO 9 -1.359 -2.275 0.926 54 HB3 PRO 9 HB3 PRO 9 -2.520 -1.069 1.493 55 HG2 PRO 9 HG2 PRO 9 0.118 -1.861 2.655 56 HG3 PRO 9 HG3 PRO 9 -0.596 -0.246 2.492 57 HD2 PRO 9 HD2 PRO 9 -0.593 -1.581 4.832 58 HD3 PRO 9 HD3 PRO 9 -1.929 -0.510 4.362 59 H CYS 10 H CYS 10 -0.268 -3.892 3.119 60 HA CYS 10 HA CYS 10 -0.148 -5.982 1.261 61 HB2 CYS 10 HB2 CYS 10 1.273 -6.014 3.920 62 HB3 CYS 10 HB3 CYS 10 1.795 -6.728 2.400 63 H GLN 11 H GLN 11 -0.090 -8.322 1.743 64 HA GLN 11 HA GLN 11 -1.968 -9.079 3.875 65 HB2 GLN 11 HB2 GLN 11 -2.213 -9.445 0.973 66 HB3 GLN 11 HB3 GLN 11 -2.486 -10.911 1.902 67 HG2 GLN 11 HG2 GLN 11 -3.854 -8.458 2.824 68 HG3 GLN 11 HG3 GLN 11 -4.417 -9.182 1.318 69 HE21 GLN 11 HE21 GLN 11 -3.110 -10.782 4.177 70 HE22 GLN 11 HE22 GLN 11 -4.537 -11.684 4.546 71 H ASN 12 H ASN 12 0.975 -9.215 3.700 72 HA ASN 12 HA ASN 12 1.223 -12.027 4.395 73 HB2 ASN 12 HB2 ASN 12 2.461 -10.800 2.005 74 HB3 ASN 12 HB3 ASN 12 3.514 -11.821 2.975 75 HD21 ASN 12 HD21 ASN 12 3.101 -12.626 0.533 76 HD22 ASN 12 HD22 ASN 12 2.025 -13.968 0.478 77 H ASP 13 H ASP 13 1.472 -9.192 5.573 78 HA ASP 13 HA ASP 13 2.616 -8.297 7.328 79 HB2 ASP 13 HB2 ASP 13 2.963 -10.866 7.819 80 HB3 ASP 13 HB3 ASP 13 4.620 -10.522 7.332 81 H ALA 14 H ALA 14 3.131 -7.300 4.929 82 HA ALA 14 HA ALA 14 6.000 -7.241 4.461 83 HB1 ALA 14 HB1 ALA 14 4.783 -5.387 2.778 84 HB2 ALA 14 HB2 ALA 14 3.621 -6.704 2.925 85 HB3 ALA 14 HB3 ALA 14 5.260 -7.036 2.374 86 H THR 15 H THR 15 6.925 -4.982 3.970 87 HA THR 15 HA THR 15 6.381 -3.316 6.307 88 HB THR 15 HB THR 15 8.663 -3.265 4.323 89 HG21 THR 15 HG21 THR 15 8.151 -1.055 5.442 90 HG22 THR 15 HG22 THR 15 9.779 -1.698 5.658 91 HG23 THR 15 HG23 THR 15 8.596 -1.839 6.958 92 H CYS 16 H CYS 16 5.627 -1.263 6.208 93 HA CYS 16 HA CYS 16 4.946 -0.229 3.534 94 HB2 CYS 16 HB2 CYS 16 2.969 -0.786 4.864 95 HB3 CYS 16 HB3 CYS 16 3.544 0.238 6.175 96 H LEU 17 H LEU 17 6.082 1.477 2.921 97 HA LEU 17 HA LEU 17 7.232 3.227 4.990 98 HB2 LEU 17 HB2 LEU 17 8.437 1.927 2.826 99 HB3 LEU 17 HB3 LEU 17 8.330 3.608 2.338 100 HG LEU 17 HG LEU 17 9.516 2.785 4.979 101 HD11 LEU 17 HD11 LEU 17 10.779 2.900 2.266 102 HD12 LEU 17 HD12 LEU 17 10.927 1.662 3.513 103 HD13 LEU 17 HD13 LEU 17 11.718 3.224 3.723 104 HD21 LEU 17 HD21 LEU 17 9.948 5.249 3.301 105 HD22 LEU 17 HD22 LEU 17 10.507 4.960 4.948 106 HD23 LEU 17 HD23 LEU 17 8.784 5.145 4.621 107 H ASP 18 H ASP 18 6.703 5.332 5.047 108 HA ASP 18 HA ASP 18 4.471 6.299 3.657 109 HB2 ASP 18 HB2 ASP 18 5.459 7.132 5.869 110 HB3 ASP 18 HB3 ASP 18 6.583 8.065 4.886 111 H GLN 19 H GLN 19 4.258 7.003 1.646 112 HA GLN 19 HA GLN 19 6.673 7.832 0.186 113 HB2 GLN 19 HB2 GLN 19 4.586 6.035 -0.476 114 HB3 GLN 19 HB3 GLN 19 4.426 7.418 -1.549 115 HG2 GLN 19 HG2 GLN 19 7.154 6.367 -1.224 116 HG3 GLN 19 HG3 GLN 19 6.008 5.299 -2.034 117 HE21 GLN 19 HE21 GLN 19 8.124 7.863 -2.399 118 HE22 GLN 19 HE22 GLN 19 7.645 8.377 -3.976 119 H ILE 20 H ILE 20 5.467 9.126 -1.950 120 HA ILE 20 HA ILE 20 4.675 11.619 -0.673 121 HB ILE 20 HB ILE 20 4.975 12.544 -3.001 122 HG12 ILE 20 HG12 ILE 20 6.685 10.324 -3.818 123 HG13 ILE 20 HG13 ILE 20 4.984 9.876 -3.731 124 HG21 ILE 20 HG21 ILE 20 6.776 13.117 -1.768 125 HG22 ILE 20 HG22 ILE 20 7.591 11.972 -2.832 126 HG23 ILE 20 HG23 ILE 20 7.065 11.463 -1.228 127 HD11 ILE 20 HD11 ILE 20 5.066 12.351 -5.038 128 HD12 ILE 20 HD12 ILE 20 4.709 10.769 -5.730 129 HD13 ILE 20 HD13 ILE 20 6.363 11.379 -5.731 130 H GLY 21 H GLY 21 2.828 9.258 -1.079 131 HA2 GLY 21 HA2 GLY 21 0.421 10.351 -1.332 132 HA3 GLY 21 HA3 GLY 21 0.915 10.302 -3.017 133 H GLU 22 H GLU 22 2.343 7.829 -2.889 134 HA GLU 22 HA GLU 22 0.047 6.012 -2.753 135 HB2 GLU 22 HB2 GLU 22 1.533 4.488 -4.102 136 HB3 GLU 22 HB3 GLU 22 1.078 5.989 -4.898 137 HG2 GLU 22 HG2 GLU 22 3.203 6.888 -4.703 138 HG3 GLU 22 HG3 GLU 22 3.654 5.793 -3.398 139 H PHE 23 H PHE 23 0.858 3.626 -2.317 140 HA PHE 23 HA PHE 23 2.208 3.724 0.279 141 HB2 PHE 23 HB2 PHE 23 1.122 1.612 0.769 142 HB3 PHE 23 HB3 PHE 23 -0.073 2.781 0.221 143 HD1 PHE 23 HD1 PHE 23 1.832 -0.218 -0.703 144 HD2 PHE 23 HD2 PHE 23 -1.290 2.459 -1.789 145 HE1 PHE 23 HE1 PHE 23 1.086 -1.800 -2.437 146 HE2 PHE 23 HE2 PHE 23 -2.045 0.884 -3.526 147 HZ PHE 23 HZ PHE 23 -0.855 -1.250 -3.851 148 H GLN 24 H GLN 24 3.891 2.320 0.800 149 HA GLN 24 HA GLN 24 5.166 1.011 -1.512 150 HB2 GLN 24 HB2 GLN 24 6.416 2.970 -0.690 151 HB3 GLN 24 HB3 GLN 24 6.500 2.239 0.907 152 HG2 GLN 24 HG2 GLN 24 7.993 0.601 0.219 153 HG3 GLN 24 HG3 GLN 24 7.589 0.812 -1.484 154 HE21 GLN 24 HE21 GLN 24 10.198 0.809 -0.304 155 HE22 GLN 24 HE22 GLN 24 10.901 2.354 -0.621 156 H CYS 25 H CYS 25 4.289 -1.020 -1.185 157 HA CYS 25 HA CYS 25 4.633 -2.309 1.404 158 HB2 CYS 25 HB2 CYS 25 2.512 -2.604 0.171 159 HB3 CYS 25 HB3 CYS 25 3.395 -3.365 -1.147 160 H ILE 26 H ILE 26 6.522 -3.223 1.847 161 HA ILE 26 HA ILE 26 8.257 -4.133 -0.305 162 HB ILE 26 HB ILE 26 8.849 -4.262 2.647 163 HG12 ILE 26 HG12 ILE 26 9.410 -1.973 0.746 164 HG13 ILE 26 HG13 ILE 26 8.202 -1.955 2.027 165 HG21 ILE 26 HG21 ILE 26 10.220 -5.434 0.747 166 HG22 ILE 26 HG22 ILE 26 11.042 -4.603 2.067 167 HG23 ILE 26 HG23 ILE 26 10.865 -3.811 0.500 168 HD11 ILE 26 HD11 ILE 26 9.845 -0.947 3.173 169 HD12 ILE 26 HD12 ILE 26 11.118 -1.637 2.167 170 HD13 ILE 26 HD13 ILE 26 10.388 -2.603 3.450 171 H CYS 27 H CYS 27 8.201 -6.153 -1.006 172 HA CYS 27 HA CYS 27 6.938 -8.217 0.615 173 HB2 CYS 27 HB2 CYS 27 7.243 -7.702 -2.206 174 HB3 CYS 27 HB3 CYS 27 7.808 -9.325 -1.825 175 H MET 28 H MET 28 7.983 -10.474 0.356 176 HA MET 28 HA MET 28 10.546 -10.355 1.604 177 HB2 MET 28 HB2 MET 28 8.475 -12.315 1.180 178 HB3 MET 28 HB3 MET 28 10.043 -13.010 0.794 179 HG2 MET 28 HG2 MET 28 10.703 -11.892 3.093 180 HG3 MET 28 HG3 MET 28 8.973 -12.051 3.388 181 HE1 MET 28 HE1 MET 28 12.157 -13.172 3.690 182 HE2 MET 28 HE2 MET 28 12.329 -14.770 2.964 183 HE3 MET 28 HE3 MET 28 11.902 -14.616 4.669 184 HA PRO 29 HA PRO 29 13.252 -11.017 -1.822 185 HB2 PRO 29 HB2 PRO 29 14.989 -12.889 -1.022 186 HB3 PRO 29 HB3 PRO 29 14.929 -11.294 -0.264 187 HG2 PRO 29 HG2 PRO 29 13.765 -13.885 0.684 188 HG3 PRO 29 HG3 PRO 29 14.635 -12.645 1.607 189 HD2 PRO 29 HD2 PRO 29 11.912 -12.869 1.574 190 HD3 PRO 29 HD3 PRO 29 12.764 -11.336 1.842 191 H GLY 30 H GLY 30 11.052 -12.112 -2.684 192 HA2 GLY 30 HA2 GLY 30 11.311 -13.705 -4.687 193 HA3 GLY 30 HA3 GLY 30 11.641 -14.897 -3.438 194 H TYR 31 H TYR 31 9.245 -12.280 -3.471 195 HA TYR 31 HA TYR 31 7.157 -14.320 -3.101 196 HB2 TYR 31 HB2 TYR 31 7.591 -11.612 -1.964 197 HB3 TYR 31 HB3 TYR 31 5.928 -12.068 -2.308 198 HD1 TYR 31 HD1 TYR 31 8.694 -14.252 -1.128 199 HD2 TYR 31 HD2 TYR 31 5.015 -12.345 -0.166 200 HE1 TYR 31 HE1 TYR 31 8.606 -15.501 0.989 201 HE2 TYR 31 HE2 TYR 31 4.917 -13.588 1.953 202 HH TYR 31 HH TYR 31 7.132 -14.805 3.475 203 H GLU 32 H GLU 32 4.899 -13.063 -3.681 204 HA GLU 32 HA GLU 32 5.165 -11.749 -6.274 205 HB2 GLU 32 HB2 GLU 32 3.381 -14.160 -5.937 206 HB3 GLU 32 HB3 GLU 32 3.726 -13.282 -7.421 207 HG2 GLU 32 HG2 GLU 32 6.042 -14.038 -7.338 208 HG3 GLU 32 HG3 GLU 32 5.707 -14.907 -5.841 209 H GLY 33 H GLY 33 2.816 -11.263 -7.120 210 HA2 GLY 33 HA2 GLY 33 0.615 -10.564 -6.634 211 HA3 GLY 33 HA3 GLY 33 0.974 -10.701 -4.919 212 H VAL 34 H VAL 34 -0.356 -8.507 -5.855 213 HA VAL 34 HA VAL 34 1.572 -6.359 -6.216 214 HB VAL 34 HB VAL 34 -1.426 -6.122 -5.969 215 HG11 VAL 34 HG11 VAL 34 -1.131 -3.993 -7.073 216 HG12 VAL 34 HG12 VAL 34 0.604 -4.278 -7.222 217 HG13 VAL 34 HG13 VAL 34 -0.120 -4.056 -5.629 218 HG21 VAL 34 HG21 VAL 34 0.116 -6.216 -8.548 219 HG22 VAL 34 HG22 VAL 34 -1.629 -6.302 -8.309 220 HG23 VAL 34 HG23 VAL 34 -0.606 -7.654 -7.824 221 H TYR 35 H TYR 35 -0.613 -7.622 -3.779 222 HA TYR 35 HA TYR 35 0.331 -5.547 -1.911 223 HB2 TYR 35 HB2 TYR 35 -2.285 -6.959 -2.199 224 HB3 TYR 35 HB3 TYR 35 -1.774 -6.461 -0.590 225 HD1 TYR 35 HD1 TYR 35 -0.921 -3.937 -0.465 226 HD2 TYR 35 HD2 TYR 35 -3.541 -5.477 -3.442 227 HE1 TYR 35 HE1 TYR 35 -1.741 -1.662 -0.915 228 HE2 TYR 35 HE2 TYR 35 -4.366 -3.207 -3.900 229 HH TYR 35 HH TYR 35 -3.976 -0.671 -1.898 230 H CYS 36 H CYS 36 1.791 -7.948 -2.567 231 HA CYS 36 HA CYS 36 2.849 -9.726 -1.603 232 HB2 CYS 36 HB2 CYS 36 2.372 -7.900 0.748 233 HB3 CYS 36 HB3 CYS 36 3.297 -9.390 0.895 234 H GLU 37 H GLU 37 1.296 -11.314 -2.052 235 HA GLU 37 HA GLU 37 0.197 -12.579 0.270 236 HB2 GLU 37 HB2 GLU 37 -1.597 -11.022 -0.044 237 HB3 GLU 37 HB3 GLU 37 -1.658 -11.346 -1.769 238 HG2 GLU 37 HG2 GLU 37 -2.626 -13.460 -1.447 239 HG3 GLU 37 HG3 GLU 37 -2.218 -13.477 0.268 240 H ILE 38 H ILE 38 0.208 -12.410 -3.270 241 HA ILE 38 HA ILE 38 -0.147 -15.291 -3.473 242 HB ILE 38 HB ILE 38 0.337 -13.345 -5.726 243 HG12 ILE 38 HG12 ILE 38 -1.625 -12.634 -4.434 244 HG13 ILE 38 HG13 ILE 38 -2.102 -13.269 -6.006 245 HG21 ILE 38 HG21 ILE 38 -0.116 -15.034 -7.154 246 HG22 ILE 38 HG22 ILE 38 -1.294 -15.777 -6.073 247 HG23 ILE 38 HG23 ILE 38 0.431 -16.028 -5.803 248 HD11 ILE 38 HD11 ILE 38 -2.536 -14.392 -3.291 249 HD12 ILE 38 HD12 ILE 38 -2.389 -15.499 -4.657 250 HD13 ILE 38 HD13 ILE 38 -3.646 -14.261 -4.655 251 H1 FUC 39 H1 FUC 39 10.753 -3.450 5.831 252 H2 FUC 39 H2 FUC 39 11.896 -5.330 6.906 253 H3 FUC 39 H3 FUC 39 9.093 -6.409 7.445 254 H4 FUC 39 H4 FUC 39 9.678 -8.218 5.937 255 H5 FUC 39 H5 FUC 39 8.624 -6.225 4.951 256 H61 FUC 39 H61 FUC 39 10.889 -7.276 3.182 257 H62 FUC 39 H62 FUC 39 9.273 -8.022 3.367 258 H63 FUC 39 H63 FUC 39 9.433 -6.406 2.612 259 HO2 FUC 39 HO2 FUC 39 10.998 -4.940 9.020 260 HO4 FUC 39 HO4 FUC 39 11.975 -8.133 6.301 261 H1 NAG 40 H1 NAG 40 9.368 -8.737 8.467 262 H2 NAG 40 H2 NAG 40 11.420 -8.014 10.640 263 H3 NAG 40 H3 NAG 40 9.371 -10.299 10.578 264 H4 NAG 40 H4 NAG 40 9.399 -7.775 12.323 265 H5 NAG 40 H5 NAG 40 7.535 -8.515 9.986 266 H61 NAG 40 H61 NAG 40 7.729 -5.991 11.666 267 H62 NAG 40 H62 NAG 40 6.422 -7.196 11.722 268 H81 NAG 40 H81 NAG 40 13.681 -11.381 9.332 269 H82 NAG 40 H82 NAG 40 13.681 -10.718 7.671 270 H83 NAG 40 H83 NAG 40 14.896 -10.159 8.857 271 HN2 NAG 40 HN2 NAG 40 11.408 -10.662 9.436 272 HO3 NAG 40 HO3 NAG 40 11.220 -10.710 11.809 273 HO4 NAG 40 HO4 NAG 40 8.100 -8.990 13.421 274 HO6 NAG 40 HO6 NAG 40 7.146 -5.527 9.511 Start of MODEL 20 1 H1 ASP 1 H1 ASP 1 -14.541 5.586 1.217 2 HA ASP 1 HA ASP 1 -14.307 5.642 -1.124 3 HB2 ASP 1 HB2 ASP 1 -13.731 8.324 0.098 4 HB3 ASP 1 HB3 ASP 1 -13.767 8.135 -1.652 5 H VAL 2 H VAL 2 -11.447 6.630 0.642 6 HA VAL 2 HA VAL 2 -9.798 5.626 -1.552 7 HB VAL 2 HB VAL 2 -9.907 8.053 -1.905 8 HG11 VAL 2 HG11 VAL 2 -9.618 9.611 -0.306 9 HG12 VAL 2 HG12 VAL 2 -8.347 8.695 0.504 10 HG13 VAL 2 HG13 VAL 2 -10.041 8.290 0.783 11 HG21 VAL 2 HG21 VAL 2 -7.171 7.485 -0.829 12 HG22 VAL 2 HG22 VAL 2 -7.638 8.363 -2.287 13 HG23 VAL 2 HG23 VAL 2 -7.790 6.606 -2.227 14 H ASN 3 H ASN 3 -7.892 4.685 -0.909 15 HA ASN 3 HA ASN 3 -6.959 4.970 1.818 16 HB2 ASN 3 HB2 ASN 3 -7.068 2.556 2.305 17 HB3 ASN 3 HB3 ASN 3 -8.672 3.243 2.070 18 HD21 ASN 3 HD21 ASN 3 -8.023 0.510 1.873 19 HD22 ASN 3 HD22 ASN 3 -8.314 0.009 0.246 20 H GLU 4 H GLU 4 -4.842 4.215 2.131 21 HA GLU 4 HA GLU 4 -3.456 3.134 -0.208 22 HB2 GLU 4 HB2 GLU 4 -1.547 4.814 0.542 23 HB3 GLU 4 HB3 GLU 4 -2.789 5.284 -0.609 24 HG2 GLU 4 HG2 GLU 4 -3.571 6.866 0.737 25 HG3 GLU 4 HG3 GLU 4 -3.604 5.782 2.126 26 H CYS 5 H CYS 5 -2.800 4.281 3.095 27 HA CYS 5 HA CYS 5 -1.769 1.641 3.778 28 HB2 CYS 5 HB2 CYS 5 0.148 3.064 2.989 29 HB3 CYS 5 HB3 CYS 5 -0.176 4.126 4.350 30 H ILE 6 H ILE 6 -3.769 1.615 4.985 31 HA ILE 6 HA ILE 6 -3.661 3.239 7.434 32 HB ILE 6 HB ILE 6 -6.043 2.087 6.013 33 HG12 ILE 6 HG12 ILE 6 -6.759 4.469 5.949 34 HG13 ILE 6 HG13 ILE 6 -5.218 4.919 6.672 35 HG21 ILE 6 HG21 ILE 6 -5.840 3.315 8.747 36 HG22 ILE 6 HG22 ILE 6 -6.517 1.750 8.300 37 HG23 ILE 6 HG23 ILE 6 -7.355 3.234 7.849 38 HD11 ILE 6 HD11 ILE 6 -5.035 3.292 4.236 39 HD12 ILE 6 HD12 ILE 6 -4.108 4.708 4.737 40 HD13 ILE 6 HD13 ILE 6 -5.711 4.908 4.029 41 H SER 7 H SER 7 -5.433 0.288 6.606 42 HA SER 7 HA SER 7 -4.455 -0.924 9.080 43 HB2 SER 7 HB2 SER 7 -6.982 -0.765 8.210 44 HB3 SER 7 HB3 SER 7 -6.526 -2.280 7.429 45 HG SER 7 HG SER 7 -6.214 -1.724 10.195 46 H ASN 8 H ASN 8 -2.425 -0.928 7.443 47 HA ASN 8 HA ASN 8 -0.904 -2.176 6.297 48 HB2 ASN 8 HB2 ASN 8 -1.082 -3.564 8.312 49 HB3 ASN 8 HB3 ASN 8 -2.429 -4.442 7.601 50 HD21 ASN 8 HD21 ASN 8 -0.655 -6.047 8.363 51 HD22 ASN 8 HD22 ASN 8 0.383 -6.597 7.103 52 HA PRO 9 HA PRO 9 -3.683 -2.792 2.679 53 HB2 PRO 9 HB2 PRO 9 -1.155 -2.126 1.307 54 HB3 PRO 9 HB3 PRO 9 -2.764 -1.442 1.087 55 HG2 PRO 9 HG2 PRO 9 -0.823 -0.074 2.315 56 HG3 PRO 9 HG3 PRO 9 -2.513 0.039 2.834 57 HD2 PRO 9 HD2 PRO 9 -0.249 -1.471 4.067 58 HD3 PRO 9 HD3 PRO 9 -1.572 -0.585 4.851 59 H CYS 10 H CYS 10 -0.349 -3.901 3.143 60 HA CYS 10 HA CYS 10 -0.322 -5.897 1.184 61 HB2 CYS 10 HB2 CYS 10 1.136 -6.042 3.826 62 HB3 CYS 10 HB3 CYS 10 1.602 -6.782 2.299 63 H GLN 11 H GLN 11 -0.119 -8.298 1.734 64 HA GLN 11 HA GLN 11 -2.154 -9.084 3.707 65 HB2 GLN 11 HB2 GLN 11 -2.164 -9.472 0.806 66 HB3 GLN 11 HB3 GLN 11 -2.411 -10.962 1.704 67 HG2 GLN 11 HG2 GLN 11 -4.033 -8.440 1.952 68 HG3 GLN 11 HG3 GLN 11 -4.526 -9.929 1.148 69 HE21 GLN 11 HE21 GLN 11 -6.019 -8.762 3.165 70 HE22 GLN 11 HE22 GLN 11 -5.998 -9.793 4.551 71 H ASN 12 H ASN 12 0.826 -9.132 3.709 72 HA ASN 12 HA ASN 12 1.094 -11.903 4.540 73 HB2 ASN 12 HB2 ASN 12 2.263 -10.855 2.087 74 HB3 ASN 12 HB3 ASN 12 3.479 -11.526 3.166 75 HD21 ASN 12 HD21 ASN 12 3.271 -12.749 0.906 76 HD22 ASN 12 HD22 ASN 12 2.433 -14.245 1.046 77 H ASP 13 H ASP 13 1.234 -9.016 5.601 78 HA ASP 13 HA ASP 13 2.291 -8.003 7.347 79 HB2 ASP 13 HB2 ASP 13 2.740 -10.637 7.854 80 HB3 ASP 13 HB3 ASP 13 4.393 -10.056 7.686 81 H ALA 14 H ALA 14 2.921 -7.183 4.892 82 HA ALA 14 HA ALA 14 5.807 -7.114 4.574 83 HB1 ALA 14 HB1 ALA 14 5.161 -7.092 2.445 84 HB2 ALA 14 HB2 ALA 14 4.680 -5.413 2.691 85 HB3 ALA 14 HB3 ALA 14 3.498 -6.708 2.884 86 H THR 15 H THR 15 6.788 -4.927 4.034 87 HA THR 15 HA THR 15 6.122 -3.094 6.194 88 HB THR 15 HB THR 15 8.439 -3.121 4.247 89 HG21 THR 15 HG21 THR 15 7.852 -0.857 5.215 90 HG22 THR 15 HG22 THR 15 9.493 -1.443 5.487 91 HG23 THR 15 HG23 THR 15 8.299 -1.531 6.782 92 H CYS 16 H CYS 16 5.239 -1.121 5.942 93 HA CYS 16 HA CYS 16 4.509 -0.321 3.212 94 HB2 CYS 16 HB2 CYS 16 2.718 -0.705 4.980 95 HB3 CYS 16 HB3 CYS 16 3.323 0.746 5.773 96 H LEU 17 H LEU 17 4.930 1.723 2.440 97 HA LEU 17 HA LEU 17 6.367 3.597 4.162 98 HB2 LEU 17 HB2 LEU 17 7.827 1.955 2.624 99 HB3 LEU 17 HB3 LEU 17 7.494 3.212 1.447 100 HG LEU 17 HG LEU 17 9.646 3.557 2.572 101 HD11 LEU 17 HD11 LEU 17 7.814 5.708 3.558 102 HD12 LEU 17 HD12 LEU 17 8.047 5.443 1.829 103 HD13 LEU 17 HD13 LEU 17 9.425 5.847 2.853 104 HD21 LEU 17 HD21 LEU 17 9.857 3.938 4.880 105 HD22 LEU 17 HD22 LEU 17 8.827 2.513 4.744 106 HD23 LEU 17 HD23 LEU 17 8.113 4.086 5.101 107 H ASP 18 H ASP 18 5.830 5.667 3.793 108 HA ASP 18 HA ASP 18 4.405 6.303 1.295 109 HB2 ASP 18 HB2 ASP 18 2.861 6.095 3.260 110 HB3 ASP 18 HB3 ASP 18 3.728 7.425 4.021 111 H GLN 19 H GLN 19 5.149 8.021 0.221 112 HA GLN 19 HA GLN 19 6.909 9.901 1.648 113 HB2 GLN 19 HB2 GLN 19 7.250 8.943 -1.197 114 HB3 GLN 19 HB3 GLN 19 8.293 10.079 -0.352 115 HG2 GLN 19 HG2 GLN 19 8.647 8.164 1.331 116 HG3 GLN 19 HG3 GLN 19 7.993 7.132 0.059 117 HE21 GLN 19 HE21 GLN 19 10.718 7.487 1.326 118 HE22 GLN 19 HE22 GLN 19 11.791 7.643 -0.020 119 H ILE 20 H ILE 20 5.263 9.589 -1.489 120 HA ILE 20 HA ILE 20 4.625 12.433 -1.418 121 HB ILE 20 HB ILE 20 4.061 10.476 -3.641 122 HG12 ILE 20 HG12 ILE 20 6.374 12.402 -3.570 123 HG13 ILE 20 HG13 ILE 20 6.524 10.771 -2.923 124 HG21 ILE 20 HG21 ILE 20 3.797 13.411 -3.299 125 HG22 ILE 20 HG22 ILE 20 2.782 12.276 -4.190 126 HG23 ILE 20 HG23 ILE 20 4.317 12.811 -4.875 127 HD11 ILE 20 HD11 ILE 20 5.604 10.074 -5.260 128 HD12 ILE 20 HD12 ILE 20 7.304 10.495 -5.055 129 HD13 ILE 20 HD13 ILE 20 6.180 11.671 -5.737 130 H GLY 21 H GLY 21 2.804 9.550 -2.431 131 HA2 GLY 21 HA2 GLY 21 0.666 9.991 -0.609 132 HA3 GLY 21 HA3 GLY 21 0.265 10.634 -2.194 133 H GLU 22 H GLU 22 2.260 7.796 -1.662 134 HA GLU 22 HA GLU 22 0.042 6.076 -2.524 135 HB2 GLU 22 HB2 GLU 22 2.825 6.081 -3.705 136 HB3 GLU 22 HB3 GLU 22 1.596 4.870 -4.040 137 HG2 GLU 22 HG2 GLU 22 0.142 6.760 -4.871 138 HG3 GLU 22 HG3 GLU 22 1.579 7.778 -4.783 139 H PHE 23 H PHE 23 0.377 3.797 -2.057 140 HA PHE 23 HA PHE 23 1.893 3.453 0.411 141 HB2 PHE 23 HB2 PHE 23 0.560 1.468 0.773 142 HB3 PHE 23 HB3 PHE 23 -0.499 2.812 0.357 143 HD1 PHE 23 HD1 PHE 23 -1.635 2.882 -1.782 144 HD2 PHE 23 HD2 PHE 23 0.843 -0.400 -0.698 145 HE1 PHE 23 HE1 PHE 23 -2.622 1.544 -3.600 146 HE2 PHE 23 HE2 PHE 23 -0.136 -1.746 -2.514 147 HZ PHE 23 HZ PHE 23 -1.871 -0.773 -3.968 148 H GLN 24 H GLN 24 3.791 2.454 0.441 149 HA GLN 24 HA GLN 24 4.554 0.834 -1.890 150 HB2 GLN 24 HB2 GLN 24 6.231 2.265 0.176 151 HB3 GLN 24 HB3 GLN 24 6.897 1.186 -1.042 152 HG2 GLN 24 HG2 GLN 24 6.040 2.635 -2.805 153 HG3 GLN 24 HG3 GLN 24 5.360 3.715 -1.589 154 HE21 GLN 24 HE21 GLN 24 6.793 4.889 -0.239 155 HE22 GLN 24 HE22 GLN 24 8.409 5.226 -0.746 156 H CYS 25 H CYS 25 3.980 -1.221 -1.479 157 HA CYS 25 HA CYS 25 4.370 -2.356 1.171 158 HB2 CYS 25 HB2 CYS 25 2.293 -2.831 -0.087 159 HB3 CYS 25 HB3 CYS 25 3.248 -3.623 -1.336 160 H ILE 26 H ILE 26 6.041 -3.582 1.746 161 HA ILE 26 HA ILE 26 7.932 -4.416 -0.348 162 HB ILE 26 HB ILE 26 8.515 -4.228 2.603 163 HG12 ILE 26 HG12 ILE 26 9.048 -2.152 0.466 164 HG13 ILE 26 HG13 ILE 26 7.833 -2.016 1.733 165 HG21 ILE 26 HG21 ILE 26 9.909 -5.507 0.696 166 HG22 ILE 26 HG22 ILE 26 10.654 -4.746 2.102 167 HG23 ILE 26 HG23 ILE 26 10.613 -3.896 0.558 168 HD11 ILE 26 HD11 ILE 26 9.412 -0.913 2.850 169 HD12 ILE 26 HD12 ILE 26 10.705 -1.537 1.825 170 HD13 ILE 26 HD13 ILE 26 10.099 -2.507 3.167 171 H CYS 27 H CYS 27 7.514 -6.456 -0.935 172 HA CYS 27 HA CYS 27 6.550 -8.389 1.000 173 HB2 CYS 27 HB2 CYS 27 5.885 -8.097 -1.542 174 HB3 CYS 27 HB3 CYS 27 7.277 -9.144 -1.798 175 H MET 28 H MET 28 7.552 -10.534 1.163 176 HA MET 28 HA MET 28 10.223 -10.389 1.963 177 HB2 MET 28 HB2 MET 28 8.148 -12.379 1.858 178 HB3 MET 28 HB3 MET 28 9.673 -13.090 1.350 179 HG2 MET 28 HG2 MET 28 10.503 -11.769 3.525 180 HG3 MET 28 HG3 MET 28 8.830 -12.078 3.987 181 HE1 MET 28 HE1 MET 28 12.274 -13.156 3.801 182 HE2 MET 28 HE2 MET 28 12.270 -14.800 4.441 183 HE3 MET 28 HE3 MET 28 11.702 -13.463 5.441 184 HA PRO 29 HA PRO 29 12.602 -11.248 -1.656 185 HB2 PRO 29 HB2 PRO 29 14.458 -13.012 -0.892 186 HB3 PRO 29 HB3 PRO 29 14.413 -11.375 -0.233 187 HG2 PRO 29 HG2 PRO 29 13.430 -13.929 0.977 188 HG3 PRO 29 HG3 PRO 29 14.323 -12.601 1.740 189 HD2 PRO 29 HD2 PRO 29 11.609 -12.930 1.936 190 HD3 PRO 29 HD3 PRO 29 12.426 -11.362 2.076 191 H GLY 30 H GLY 30 11.841 -12.246 -3.410 192 HA2 GLY 30 HA2 GLY 30 11.690 -14.097 -4.859 193 HA3 GLY 30 HA3 GLY 30 11.798 -15.167 -3.469 194 H TYR 31 H TYR 31 9.591 -12.530 -3.265 195 HA TYR 31 HA TYR 31 7.362 -14.424 -3.443 196 HB2 TYR 31 HB2 TYR 31 7.829 -11.869 -1.979 197 HB3 TYR 31 HB3 TYR 31 6.177 -12.265 -2.438 198 HD1 TYR 31 HD1 TYR 31 8.993 -14.395 -1.218 199 HD2 TYR 31 HD2 TYR 31 5.050 -12.952 -0.535 200 HE1 TYR 31 HE1 TYR 31 8.806 -15.855 0.751 201 HE2 TYR 31 HE2 TYR 31 4.852 -14.408 1.436 202 HH TYR 31 HH TYR 31 7.080 -16.898 2.115 203 H GLU 32 H GLU 32 5.233 -13.004 -4.039 204 HA GLU 32 HA GLU 32 5.732 -11.286 -6.326 205 HB2 GLU 32 HB2 GLU 32 4.272 -12.648 -7.810 206 HB3 GLU 32 HB3 GLU 32 5.783 -13.444 -7.394 207 HG2 GLU 32 HG2 GLU 32 3.276 -13.977 -5.852 208 HG3 GLU 32 HG3 GLU 32 3.621 -14.817 -7.362 209 H GLY 33 H GLY 33 3.352 -10.926 -7.393 210 HA2 GLY 33 HA2 GLY 33 1.054 -10.504 -6.947 211 HA3 GLY 33 HA3 GLY 33 1.394 -10.632 -5.228 212 H VAL 34 H VAL 34 -0.116 -8.557 -6.056 213 HA VAL 34 HA VAL 34 1.621 -6.238 -6.381 214 HB VAL 34 HB VAL 34 -1.391 -6.277 -6.196 215 HG11 VAL 34 HG11 VAL 34 -1.356 -4.085 -6.974 216 HG12 VAL 34 HG12 VAL 34 0.300 -4.219 -7.570 217 HG13 VAL 34 HG13 VAL 34 -0.010 -4.130 -5.835 218 HG21 VAL 34 HG21 VAL 34 0.430 -6.946 -8.420 219 HG22 VAL 34 HG22 VAL 34 -0.905 -5.860 -8.810 220 HG23 VAL 34 HG23 VAL 34 -1.234 -7.450 -8.121 221 H TYR 35 H TYR 35 -0.548 -7.697 -4.031 222 HA TYR 35 HA TYR 35 0.186 -5.599 -2.099 223 HB2 TYR 35 HB2 TYR 35 -2.296 -7.142 -2.570 224 HB3 TYR 35 HB3 TYR 35 -1.866 -6.877 -0.884 225 HD1 TYR 35 HD1 TYR 35 -0.960 -4.282 -0.556 226 HD2 TYR 35 HD2 TYR 35 -3.831 -5.641 -3.387 227 HE1 TYR 35 HE1 TYR 35 -1.914 -2.019 -0.668 228 HE2 TYR 35 HE2 TYR 35 -4.791 -3.382 -3.506 229 HH TYR 35 HH TYR 35 -3.948 -0.996 -3.071 230 H CYS 36 H CYS 36 1.741 -8.025 -2.855 231 HA CYS 36 HA CYS 36 2.918 -9.719 -1.885 232 HB2 CYS 36 HB2 CYS 36 3.659 -7.757 -0.529 233 HB3 CYS 36 HB3 CYS 36 2.419 -8.156 0.654 234 H GLU 37 H GLU 37 1.529 -11.442 -2.187 235 HA GLU 37 HA GLU 37 0.460 -12.611 0.203 236 HB2 GLU 37 HB2 GLU 37 -1.397 -11.140 -0.334 237 HB3 GLU 37 HB3 GLU 37 -1.443 -11.750 -1.982 238 HG2 GLU 37 HG2 GLU 37 -2.413 -13.734 -1.371 239 HG3 GLU 37 HG3 GLU 37 -1.778 -13.663 0.272 240 H ILE 38 H ILE 38 0.741 -12.695 -3.315 241 HA ILE 38 HA ILE 38 0.407 -15.584 -3.363 242 HB ILE 38 HB ILE 38 1.190 -13.861 -5.704 243 HG12 ILE 38 HG12 ILE 38 -0.827 -12.902 -4.634 244 HG13 ILE 38 HG13 ILE 38 -1.171 -13.576 -6.225 245 HG21 ILE 38 HG21 ILE 38 -0.316 -16.466 -5.522 246 HG22 ILE 38 HG22 ILE 38 1.381 -16.287 -5.965 247 HG23 ILE 38 HG23 ILE 38 0.123 -15.617 -7.004 248 HD11 ILE 38 HD11 ILE 38 -2.070 -15.591 -5.156 249 HD12 ILE 38 HD12 ILE 38 -2.932 -14.130 -4.674 250 HD13 ILE 38 HD13 ILE 38 -1.766 -14.869 -3.575 251 H1 FUC 39 H1 FUC 39 10.496 -3.146 5.776 252 H2 FUC 39 H2 FUC 39 11.683 -4.869 7.042 253 H3 FUC 39 H3 FUC 39 8.915 -5.997 7.652 254 H4 FUC 39 H4 FUC 39 9.580 -7.915 6.329 255 H5 FUC 39 H5 FUC 39 8.481 -6.058 5.135 256 H61 FUC 39 H61 FUC 39 9.373 -6.426 2.835 257 H62 FUC 39 H62 FUC 39 10.809 -7.226 3.529 258 H63 FUC 39 H63 FUC 39 9.191 -7.970 3.730 259 HO2 FUC 39 HO2 FUC 39 9.409 -3.808 8.430 260 HO4 FUC 39 HO4 FUC 39 11.867 -7.724 6.710 261 H1 NAG 40 H1 NAG 40 9.241 -8.179 8.898 262 H2 NAG 40 H2 NAG 40 11.289 -7.241 10.988 263 H3 NAG 40 H3 NAG 40 9.280 -9.559 11.132 264 H4 NAG 40 H4 NAG 40 9.280 -6.898 12.662 265 H5 NAG 40 H5 NAG 40 7.410 -7.858 10.410 266 H61 NAG 40 H61 NAG 40 6.126 -6.454 11.768 267 H62 NAG 40 H62 NAG 40 7.494 -5.376 12.125 268 H81 NAG 40 H81 NAG 40 13.595 -10.253 8.743 269 H82 NAG 40 H82 NAG 40 13.351 -11.191 10.245 270 H83 NAG 40 H83 NAG 40 14.737 -10.067 10.107 271 HN2 NAG 40 HN2 NAG 40 11.210 -9.745 9.411 272 HO3 NAG 40 HO3 NAG 40 11.335 -9.585 12.347 273 HO4 NAG 40 HO4 NAG 40 7.197 -7.663 13.290 274 HO6 NAG 40 HO6 NAG 40 7.364 -4.531 10.067
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