NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566418 | 2mc3 | 17324 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 H GLY 1 8.856 7.597 -13.620 2 HA2 GLY 1 HA2 GLY 1 10.970 6.979 -14.614 3 HA3 GLY 1 HA3 GLY 1 10.857 5.414 -13.824 4 H SER 2 H SER 2 8.750 4.211 -14.319 5 HA SER 2 HA SER 2 8.050 4.601 -17.154 6 HB2 SER 2 HB2 SER 2 8.466 1.970 -15.714 7 HB3 SER 2 HB3 SER 2 7.904 2.141 -17.376 8 HG SER 2 HG SER 2 9.884 2.482 -17.992 9 H TYR 3 H TYR 3 6.971 2.676 -14.347 10 HA TYR 3 HA TYR 3 4.197 3.155 -15.134 11 HB2 TYR 3 HB2 TYR 3 4.834 0.843 -14.645 12 HB3 TYR 3 HB3 TYR 3 5.364 1.315 -13.034 13 HD1 TYR 3 HD1 TYR 3 2.329 1.365 -15.207 14 HD2 TYR 3 HD2 TYR 3 3.890 1.103 -11.259 15 HE1 TYR 3 HE1 TYR 3 0.065 0.938 -14.347 16 HE2 TYR 3 HE2 TYR 3 1.631 0.676 -10.387 17 HH TYR 3 HH TYR 3 -0.704 1.078 -11.047 18 H TRP 4 H TRP 4 3.172 4.841 -14.289 19 HA TRP 4 HA TRP 4 3.569 5.451 -11.443 20 HB2 TRP 4 HB2 TRP 4 4.925 7.006 -12.802 21 HB3 TRP 4 HB3 TRP 4 3.475 7.496 -13.671 22 HD1 TRP 4 HD1 TRP 4 1.812 9.163 -12.446 23 HE1 TRP 4 HE1 TRP 4 2.050 10.630 -10.345 24 HE3 TRP 4 HE3 TRP 4 6.019 7.050 -10.453 25 HZ2 TRP 4 HZ2 TRP 4 3.791 10.861 -8.135 26 HZ3 TRP 4 HZ3 TRP 4 6.907 7.954 -8.344 27 HH2 TRP 4 HH2 TRP 4 5.815 9.820 -7.211 28 HA PRO 5 HA PRO 5 -0.940 4.967 -12.010 29 HB2 PRO 5 HB2 PRO 5 -0.810 5.212 -9.059 30 HB3 PRO 5 HB3 PRO 5 -1.593 3.979 -10.053 31 HG2 PRO 5 HG2 PRO 5 0.659 3.446 -8.723 32 HG3 PRO 5 HG3 PRO 5 0.365 2.777 -10.339 33 HD2 PRO 5 HD2 PRO 5 2.103 5.072 -9.524 34 HD3 PRO 5 HD3 PRO 5 2.397 3.811 -10.739 35 H ALA 6 H ALA 6 -2.807 6.254 -11.111 36 HA ALA 6 HA ALA 6 -2.273 9.024 -11.346 37 HB1 ALA 6 HB1 ALA 6 -4.351 8.003 -12.141 38 HB2 ALA 6 HB2 ALA 6 -4.667 9.326 -11.018 39 HB3 ALA 6 HB3 ALA 6 -4.816 7.655 -10.477 40 H ARG 7 H ARG 7 -3.743 10.417 -9.625 41 HA ARG 7 HA ARG 7 -2.159 10.337 -7.225 42 HB2 ARG 7 HB2 ARG 7 -2.780 12.465 -8.305 43 HB3 ARG 7 HB3 ARG 7 -4.474 12.132 -7.975 44 HG2 ARG 7 HG2 ARG 7 -4.052 12.230 -5.588 45 HG3 ARG 7 HG3 ARG 7 -2.335 12.501 -5.889 46 HD2 ARG 7 HD2 ARG 7 -2.878 14.587 -7.056 47 HD3 ARG 7 HD3 ARG 7 -4.591 14.315 -6.739 48 HE ARG 7 HE ARG 7 -3.258 14.265 -4.293 49 HH11 ARG 7 HH11 ARG 7 -3.957 16.524 -6.852 50 HH12 ARG 7 HH12 ARG 7 -3.952 17.906 -5.809 51 HH21 ARG 7 HH21 ARG 7 -3.249 16.080 -2.911 52 HH22 ARG 7 HH22 ARG 7 -3.549 17.654 -3.569 53 H HIS 8 H HIS 8 -2.662 9.388 -5.360 54 HA HIS 8 HA HIS 8 -3.762 8.080 -3.847 55 HB2 HIS 8 HB2 HIS 8 -5.895 10.083 -4.594 56 HB3 HIS 8 HB3 HIS 8 -6.096 8.917 -3.291 57 HD1 HIS 8 HD1 HIS 8 -4.330 9.146 -1.278 58 HD2 HIS 8 HD2 HIS 8 -4.544 12.358 -3.904 59 HE1 HIS 8 HE1 HIS 8 -3.230 11.065 -0.083 60 HE2 HIS 8 HE2 HIS 8 -3.426 13.015 -1.667 61 H SER 9 H SER 9 -3.937 7.348 -6.771 62 HA SER 9 HA SER 9 -6.438 6.181 -7.295 63 HB2 SER 9 HB2 SER 9 -5.268 4.890 -9.030 64 HB3 SER 9 HB3 SER 9 -4.763 6.579 -9.049 65 HG SER 9 HG SER 9 -3.260 4.399 -8.740 66 H GLY 10 H GLY 10 -6.390 3.630 -7.799 67 HA2 GLY 10 HA2 GLY 10 -6.438 2.372 -5.287 68 HA3 GLY 10 HA3 GLY 10 -6.613 1.562 -6.836 69 H ALA 11 H ALA 11 -4.366 1.508 -8.064 70 HA ALA 11 HA ALA 11 -2.722 -0.235 -6.665 71 HB1 ALA 11 HB1 ALA 11 -2.823 -0.166 -9.093 72 HB2 ALA 11 HB2 ALA 11 -1.158 -0.018 -8.529 73 HB3 ALA 11 HB3 ALA 11 -2.028 1.409 -9.093 74 H ARG 12 H ARG 12 -2.644 3.242 -6.779 75 HA ARG 12 HA ARG 12 0.090 3.514 -5.906 76 HB2 ARG 12 HB2 ARG 12 -0.487 5.453 -6.946 77 HB3 ARG 12 HB3 ARG 12 -2.175 5.332 -6.492 78 HG2 ARG 12 HG2 ARG 12 -1.734 6.212 -4.329 79 HG3 ARG 12 HG3 ARG 12 0.008 6.088 -4.567 80 HD2 ARG 12 HD2 ARG 12 -0.094 7.772 -6.318 81 HD3 ARG 12 HD3 ARG 12 -1.846 7.866 -6.145 82 HE ARG 12 HE ARG 12 -0.906 8.422 -3.653 83 HH11 ARG 12 HH11 ARG 12 -0.307 9.732 -6.826 84 HH12 ARG 12 HH12 ARG 12 0.027 11.329 -6.243 85 HH21 ARG 12 HH21 ARG 12 -0.469 10.520 -2.879 86 HH22 ARG 12 HH22 ARG 12 -0.064 11.777 -4.000 87 H VAL 13 H VAL 13 -3.086 4.026 -4.435 88 HA VAL 13 HA VAL 13 -2.207 4.710 -1.891 89 HB VAL 13 HB VAL 13 -4.775 3.533 -2.909 90 HG11 VAL 13 HG11 VAL 13 -4.177 4.264 -0.046 91 HG12 VAL 13 HG12 VAL 13 -4.512 2.645 -0.660 92 HG13 VAL 13 HG13 VAL 13 -5.769 3.880 -0.697 93 HG21 VAL 13 HG21 VAL 13 -4.310 5.861 -3.430 94 HG22 VAL 13 HG22 VAL 13 -4.050 6.207 -1.720 95 HG23 VAL 13 HG23 VAL 13 -5.651 5.738 -2.291 96 H ILE 14 H ILE 14 -2.661 1.540 -3.360 97 HA ILE 14 HA ILE 14 -2.510 0.130 -0.895 98 HB ILE 14 HB ILE 14 -2.367 -1.891 -2.204 99 HG12 ILE 14 HG12 ILE 14 -2.173 -0.091 -4.623 100 HG13 ILE 14 HG13 ILE 14 -0.865 -1.082 -3.989 101 HG21 ILE 14 HG21 ILE 14 -4.352 0.091 -3.277 102 HG22 ILE 14 HG22 ILE 14 -4.547 -0.954 -1.873 103 HG23 ILE 14 HG23 ILE 14 -4.458 -1.657 -3.487 104 HD11 ILE 14 HD11 ILE 14 -1.940 -2.088 -5.939 105 HD12 ILE 14 HD12 ILE 14 -3.471 -2.130 -5.066 106 HD13 ILE 14 HD13 ILE 14 -2.106 -3.093 -4.500 107 H LEU 15 H LEU 15 -0.105 0.260 -3.586 108 HA LEU 15 HA LEU 15 1.894 -0.990 -2.230 109 HB2 LEU 15 HB2 LEU 15 2.320 1.283 -4.168 110 HB3 LEU 15 HB3 LEU 15 3.484 0.048 -3.748 111 HG LEU 15 HG LEU 15 0.858 -0.742 -4.944 112 HD11 LEU 15 HD11 LEU 15 1.881 -0.611 -7.167 113 HD12 LEU 15 HD12 LEU 15 3.285 0.194 -6.465 114 HD13 LEU 15 HD13 LEU 15 1.707 0.979 -6.425 115 HD21 LEU 15 HD21 LEU 15 3.637 -1.907 -5.048 116 HD22 LEU 15 HD22 LEU 15 2.193 -2.611 -5.775 117 HD23 LEU 15 HD23 LEU 15 2.317 -2.467 -4.021 118 H LEU 16 H LEU 16 0.883 2.317 -1.789 119 HA LEU 16 HA LEU 16 3.322 3.193 -0.520 120 HB2 LEU 16 HB2 LEU 16 1.969 4.756 -1.782 121 HB3 LEU 16 HB3 LEU 16 0.576 4.399 -0.785 122 HG LEU 16 HG LEU 16 1.752 5.337 1.156 123 HD11 LEU 16 HD11 LEU 16 3.779 6.655 0.813 124 HD12 LEU 16 HD12 LEU 16 3.823 6.148 -0.876 125 HD13 LEU 16 HD13 LEU 16 4.042 4.958 0.406 126 HD21 LEU 16 HD21 LEU 16 1.545 7.198 -1.203 127 HD22 LEU 16 HD22 LEU 16 1.494 7.662 0.498 128 HD23 LEU 16 HD23 LEU 16 0.203 6.674 -0.188 129 H VAL 17 H VAL 17 0.030 2.304 0.384 130 HA VAL 17 HA VAL 17 0.365 2.669 3.128 131 HB VAL 17 HB VAL 17 -1.761 2.399 1.718 132 HG11 VAL 17 HG11 VAL 17 -1.190 -0.468 2.375 133 HG12 VAL 17 HG12 VAL 17 -1.480 0.257 0.792 134 HG13 VAL 17 HG13 VAL 17 -2.792 0.141 1.964 135 HG21 VAL 17 HG21 VAL 17 -1.734 2.859 4.111 136 HG22 VAL 17 HG22 VAL 17 -1.586 1.132 4.444 137 HG23 VAL 17 HG23 VAL 17 -3.049 1.762 3.687 138 H LEU 18 H LEU 18 0.836 -0.216 1.109 139 HA LEU 18 HA LEU 18 1.502 -1.951 3.196 140 HB2 LEU 18 HB2 LEU 18 2.056 -1.860 0.259 141 HB3 LEU 18 HB3 LEU 18 2.932 -3.023 1.234 142 HG LEU 18 HG LEU 18 0.927 -3.919 0.112 143 HD11 LEU 18 HD11 LEU 18 0.111 -5.162 2.047 144 HD12 LEU 18 HD12 LEU 18 0.858 -3.980 3.122 145 HD13 LEU 18 HD13 LEU 18 1.866 -4.994 2.089 146 HD21 LEU 18 HD21 LEU 18 -1.278 -3.419 1.182 147 HD22 LEU 18 HD22 LEU 18 -0.608 -2.118 0.204 148 HD23 LEU 18 HD23 LEU 18 -0.507 -2.039 1.962 149 H TYR 19 H TYR 19 3.166 0.599 1.674 150 HA TYR 19 HA TYR 19 5.872 -0.183 2.008 151 HB2 TYR 19 HB2 TYR 19 5.271 1.624 0.510 152 HB3 TYR 19 HB3 TYR 19 4.618 2.557 1.847 153 HD1 TYR 19 HD1 TYR 19 7.737 1.264 0.348 154 HD2 TYR 19 HD2 TYR 19 6.021 3.881 3.230 155 HE1 TYR 19 HE1 TYR 19 9.927 2.336 0.671 156 HE2 TYR 19 HE2 TYR 19 8.206 4.957 3.562 157 HH TYR 19 HH TYR 19 10.832 4.475 1.468 158 H ARG 20 H ARG 20 3.954 2.146 3.949 159 HA ARG 20 HA ARG 20 5.810 2.513 5.921 160 HB2 ARG 20 HB2 ARG 20 3.789 2.928 7.449 161 HB3 ARG 20 HB3 ARG 20 3.972 3.932 6.020 162 HG2 ARG 20 HG2 ARG 20 1.822 3.446 5.685 163 HG3 ARG 20 HG3 ARG 20 2.438 1.918 5.055 164 HD2 ARG 20 HD2 ARG 20 0.617 1.607 6.687 165 HD3 ARG 20 HD3 ARG 20 2.128 0.862 7.203 166 HE ARG 20 HE ARG 20 2.424 2.738 8.724 167 HH11 ARG 20 HH11 ARG 20 -0.749 2.297 7.353 168 HH12 ARG 20 HH12 ARG 20 -1.558 3.145 8.629 169 HH21 ARG 20 HH21 ARG 20 1.368 3.856 10.405 170 HH22 ARG 20 HH22 ARG 20 -0.355 4.031 10.363 171 H GLU 21 H GLU 21 3.356 -0.100 5.910 172 HA GLU 21 HA GLU 21 4.078 -1.021 8.530 173 HB2 GLU 21 HB2 GLU 21 1.863 -1.498 7.468 174 HB3 GLU 21 HB3 GLU 21 2.691 -2.548 6.324 175 HG2 GLU 21 HG2 GLU 21 1.743 -3.886 8.069 176 HG3 GLU 21 HG3 GLU 21 3.497 -3.913 8.213 177 H HIS 22 H HIS 22 5.382 -1.260 5.397 178 HA HIS 22 HA HIS 22 6.648 -3.858 5.718 179 HB2 HIS 22 HB2 HIS 22 6.124 -3.186 3.460 180 HB3 HIS 22 HB3 HIS 22 7.015 -1.681 3.651 181 HD1 HIS 22 HD1 HIS 22 7.413 -5.222 2.735 182 HD2 HIS 22 HD2 HIS 22 9.871 -2.023 3.731 183 HE1 HIS 22 HE1 HIS 22 9.724 -5.896 2.007 184 HE2 HIS 22 HE2 HIS 22 11.179 -3.911 2.542 185 H LEU 23 H LEU 23 7.488 -0.425 5.860 186 HA LEU 23 HA LEU 23 10.096 -0.836 6.732 187 HB2 LEU 23 HB2 LEU 23 8.214 1.496 6.883 188 HB3 LEU 23 HB3 LEU 23 9.806 1.584 7.614 189 HG LEU 23 HG LEU 23 10.755 0.992 5.361 190 HD11 LEU 23 HD11 LEU 23 8.698 0.052 4.403 191 HD12 LEU 23 HD12 LEU 23 9.394 1.324 3.401 192 HD13 LEU 23 HD13 LEU 23 7.985 1.665 4.405 193 HD21 LEU 23 HD21 LEU 23 9.188 3.552 5.596 194 HD22 LEU 23 HD22 LEU 23 10.534 3.268 4.492 195 HD23 LEU 23 HD23 LEU 23 10.806 3.260 6.235 196 H ASN 24 H ASN 24 7.463 -1.779 8.305 197 HA ASN 24 HA ASN 24 8.452 -1.132 10.969 198 HB2 ASN 24 HB2 ASN 24 5.891 -2.369 9.974 199 HB3 ASN 24 HB3 ASN 24 6.304 -2.295 11.682 200 HD21 ASN 24 HD21 ASN 24 6.459 -0.272 12.700 201 HD22 ASN 24 HD22 ASN 24 5.690 1.125 12.038 202 HA PRO 25 HA PRO 25 10.427 -5.259 10.781 203 HB2 PRO 25 HB2 PRO 25 11.759 -4.227 13.197 204 HB3 PRO 25 HB3 PRO 25 12.467 -4.868 11.715 205 HG2 PRO 25 HG2 PRO 25 12.568 -2.252 12.317 206 HG3 PRO 25 HG3 PRO 25 12.410 -2.825 10.646 207 HD2 PRO 25 HD2 PRO 25 10.317 -1.711 12.473 208 HD3 PRO 25 HD3 PRO 25 10.553 -1.455 10.734 209 H ASN 26 H ASN 26 8.999 -3.525 13.474 210 HA ASN 26 HA ASN 26 8.622 -6.043 14.940 211 HB2 ASN 26 HB2 ASN 26 9.728 -4.152 16.168 212 HB3 ASN 26 HB3 ASN 26 8.241 -3.229 15.985 213 HD21 ASN 26 HD21 ASN 26 6.479 -3.723 17.236 214 HD22 ASN 26 HD22 ASN 26 6.545 -4.825 18.564 215 H GLY 27 H GLY 27 7.114 -5.008 12.565 216 HA2 GLY 27 HA2 GLY 27 4.468 -5.155 13.724 217 HA3 GLY 27 HA3 GLY 27 4.770 -3.723 12.751 218 H HIS 28 H HIS 28 6.466 -6.539 11.840 219 HA HIS 28 HA HIS 28 6.284 -8.033 10.130 220 HB2 HIS 28 HB2 HIS 28 3.339 -7.338 10.136 221 HB3 HIS 28 HB3 HIS 28 4.078 -8.703 9.307 222 HD1 HIS 28 HD1 HIS 28 4.677 -10.757 10.713 223 HD2 HIS 28 HD2 HIS 28 3.110 -7.615 12.935 224 HE1 HIS 28 HE1 HIS 28 4.175 -11.722 12.981 225 HE2 HIS 28 HE2 HIS 28 3.134 -9.827 14.274 226 H HIS 29 H HIS 29 6.730 -7.862 7.998 227 HA HIS 29 HA HIS 29 6.485 -5.235 6.802 228 HB2 HIS 29 HB2 HIS 29 7.803 -7.769 5.803 229 HB3 HIS 29 HB3 HIS 29 7.877 -6.212 4.987 230 HD1 HIS 29 HD1 HIS 29 10.060 -5.146 5.377 231 HD2 HIS 29 HD2 HIS 29 8.781 -7.274 8.708 232 HE1 HIS 29 HE1 HIS 29 11.860 -4.835 7.104 233 HE2 HIS 29 HE2 HIS 29 11.022 -6.058 9.141 234 H PHE 30 H PHE 30 3.985 -6.366 7.129 235 HA PHE 30 HA PHE 30 2.950 -6.157 4.464 236 HB2 PHE 30 HB2 PHE 30 1.970 -8.417 4.357 237 HB3 PHE 30 HB3 PHE 30 3.725 -8.472 4.352 238 HD1 PHE 30 HD1 PHE 30 0.723 -8.995 6.429 239 HD2 PHE 30 HD2 PHE 30 4.920 -9.600 6.056 240 HE1 PHE 30 HE1 PHE 30 0.663 -10.551 8.332 241 HE2 PHE 30 HE2 PHE 30 4.866 -11.159 7.960 242 HZ PHE 30 HZ PHE 30 2.733 -11.636 9.099 243 H LEU 31 H LEU 31 0.544 -6.643 4.443 244 HA LEU 31 HA LEU 31 -0.775 -6.596 7.052 245 HB2 LEU 31 HB2 LEU 31 -0.917 -4.523 4.884 246 HB3 LEU 31 HB3 LEU 31 -2.231 -4.740 6.018 247 HG LEU 31 HG LEU 31 0.600 -4.024 6.759 248 HD11 LEU 31 HD11 LEU 31 -0.513 -2.210 5.584 249 HD12 LEU 31 HD12 LEU 31 -0.321 -1.824 7.294 250 HD13 LEU 31 HD13 LEU 31 -1.892 -2.334 6.677 251 HD21 LEU 31 HD21 LEU 31 -1.901 -4.208 8.434 252 HD22 LEU 31 HD22 LEU 31 -0.338 -3.604 8.986 253 HD23 LEU 31 HD23 LEU 31 -0.513 -5.293 8.510 254 H THR 32 H THR 32 -2.999 -7.171 6.990 255 HA THR 32 HA THR 32 -3.663 -8.930 4.781 256 HB THR 32 HB THR 32 -5.576 -9.627 6.129 257 HG1 THR 32 HG1 THR 32 -6.172 -7.735 7.152 258 HG21 THR 32 HG21 THR 32 -4.377 -10.523 8.077 259 HG22 THR 32 HG22 THR 32 -3.049 -9.403 7.773 260 HG23 THR 32 HG23 THR 32 -3.418 -10.672 6.604 261 H LYS 33 H LYS 33 -5.879 -8.828 3.812 262 HA LYS 33 HA LYS 33 -6.231 -6.330 2.526 263 HB2 LYS 33 HB2 LYS 33 -7.069 -8.847 2.007 264 HB3 LYS 33 HB3 LYS 33 -8.546 -8.169 2.674 265 HG2 LYS 33 HG2 LYS 33 -7.000 -7.028 0.353 266 HG3 LYS 33 HG3 LYS 33 -8.465 -8.003 0.233 267 HD2 LYS 33 HD2 LYS 33 -9.700 -6.292 1.480 268 HD3 LYS 33 HD3 LYS 33 -8.233 -5.319 1.595 269 HE2 LYS 33 HE2 LYS 33 -9.674 -4.512 -0.199 270 HE3 LYS 33 HE3 LYS 33 -8.156 -5.138 -0.841 271 HZ1 LYS 33 HZ1 LYS 33 -10.742 -6.601 -0.792 272 HZ2 LYS 33 HZ2 LYS 33 -9.286 -7.194 -1.417 273 HZ3 LYS 33 HZ3 LYS 33 -10.046 -5.874 -2.152 274 H GLU 34 H GLU 34 -7.744 -7.826 5.335 275 HA GLU 34 HA GLU 34 -9.742 -5.887 5.685 276 HB2 GLU 34 HB2 GLU 34 -8.442 -7.652 7.768 277 HB3 GLU 34 HB3 GLU 34 -9.978 -6.818 7.941 278 HG2 GLU 34 HG2 GLU 34 -9.376 -8.967 5.924 279 HG3 GLU 34 HG3 GLU 34 -10.263 -9.190 7.431 280 H GLU 35 H GLU 35 -6.392 -5.983 6.720 281 HA GLU 35 HA GLU 35 -6.699 -3.856 8.668 282 HB2 GLU 35 HB2 GLU 35 -4.248 -5.209 7.529 283 HB3 GLU 35 HB3 GLU 35 -4.199 -3.937 8.742 284 HG2 GLU 35 HG2 GLU 35 -5.440 -5.338 10.290 285 HG3 GLU 35 HG3 GLU 35 -5.547 -6.608 9.073 286 H LEU 36 H LEU 36 -6.014 -4.209 5.297 287 HA LEU 36 HA LEU 36 -4.493 -1.813 4.897 288 HB2 LEU 36 HB2 LEU 36 -6.188 -3.352 2.934 289 HB3 LEU 36 HB3 LEU 36 -4.966 -2.157 2.554 290 HG LEU 36 HG LEU 36 -4.379 -4.753 3.926 291 HD11 LEU 36 HD11 LEU 36 -3.788 -4.133 1.060 292 HD12 LEU 36 HD12 LEU 36 -5.258 -4.965 1.564 293 HD13 LEU 36 HD13 LEU 36 -3.681 -5.683 1.893 294 HD21 LEU 36 HD21 LEU 36 -2.755 -3.028 4.395 295 HD22 LEU 36 HD22 LEU 36 -2.600 -2.681 2.673 296 HD23 LEU 36 HD23 LEU 36 -2.058 -4.233 3.311 297 H LEU 37 H LEU 37 -7.885 -2.743 4.526 298 HA LEU 37 HA LEU 37 -8.935 -0.376 3.555 299 HB2 LEU 37 HB2 LEU 37 -10.183 -2.322 5.498 300 HB3 LEU 37 HB3 LEU 37 -11.063 -1.094 4.612 301 HG LEU 37 HG LEU 37 -9.572 -3.403 3.363 302 HD11 LEU 37 HD11 LEU 37 -12.528 -2.942 3.728 303 HD12 LEU 37 HD12 LEU 37 -11.551 -4.141 4.575 304 HD13 LEU 37 HD13 LEU 37 -11.793 -4.271 2.833 305 HD21 LEU 37 HD21 LEU 37 -11.364 -1.308 2.138 306 HD22 LEU 37 HD22 LEU 37 -10.680 -2.699 1.297 307 HD23 LEU 37 HD23 LEU 37 -9.618 -1.438 1.923 308 H GLN 38 H GLN 38 -7.838 -1.153 6.756 309 HA GLN 38 HA GLN 38 -9.203 1.071 8.044 310 HB2 GLN 38 HB2 GLN 38 -8.777 -0.974 9.337 311 HB3 GLN 38 HB3 GLN 38 -7.049 -0.792 9.070 312 HG2 GLN 38 HG2 GLN 38 -7.069 1.297 10.331 313 HG3 GLN 38 HG3 GLN 38 -8.803 1.119 10.596 314 HE21 GLN 38 HE21 GLN 38 -5.638 -0.058 11.412 315 HE22 GLN 38 HE22 GLN 38 -6.114 -0.982 12.793 316 H ARG 39 H ARG 39 -5.954 0.136 7.074 317 HA ARG 39 HA ARG 39 -4.531 2.331 7.755 318 HB2 ARG 39 HB2 ARG 39 -4.224 0.783 5.191 319 HB3 ARG 39 HB3 ARG 39 -2.973 1.723 5.997 320 HG2 ARG 39 HG2 ARG 39 -4.331 -0.585 7.318 321 HG3 ARG 39 HG3 ARG 39 -2.925 -0.797 6.279 322 HD2 ARG 39 HD2 ARG 39 -2.148 -0.681 8.529 323 HD3 ARG 39 HD3 ARG 39 -1.710 0.830 7.736 324 HE ARG 39 HE ARG 39 -4.181 1.177 9.004 325 HH11 ARG 39 HH11 ARG 39 -0.832 0.655 9.811 326 HH12 ARG 39 HH12 ARG 39 -0.934 1.488 11.326 327 HH21 ARG 39 HH21 ARG 39 -4.324 2.276 10.997 328 HH22 ARG 39 HH22 ARG 39 -2.919 2.408 12.000 329 H CYS 40 H CYS 40 -6.405 1.909 4.791 330 HA CYS 40 HA CYS 40 -5.620 4.211 3.434 331 HB2 CYS 40 HB2 CYS 40 -7.462 3.903 2.024 332 HB3 CYS 40 HB3 CYS 40 -7.117 2.283 2.618 333 HG CYS 40 HG CYS 40 -9.181 3.242 4.779 334 H ALA 41 H ALA 41 -8.092 3.816 5.915 335 HA ALA 41 HA ALA 41 -9.333 6.159 5.934 336 HB1 ALA 41 HB1 ALA 41 -9.576 6.028 8.354 337 HB2 ALA 41 HB2 ALA 41 -8.221 4.902 8.441 338 HB3 ALA 41 HB3 ALA 41 -9.711 4.428 7.623 339 H GLN 42 H GLN 42 -6.065 5.739 7.275 340 HA GLN 42 HA GLN 42 -5.784 8.534 7.706 341 HB2 GLN 42 HB2 GLN 42 -3.716 6.326 7.782 342 HB3 GLN 42 HB3 GLN 42 -3.483 7.957 8.394 343 HG2 GLN 42 HG2 GLN 42 -5.255 7.597 10.034 344 HG3 GLN 42 HG3 GLN 42 -5.489 5.961 9.420 345 HE21 GLN 42 HE21 GLN 42 -3.937 4.390 9.841 346 HE22 GLN 42 HE22 GLN 42 -2.739 4.589 11.070 347 H LYS 43 H LYS 43 -5.063 6.368 5.157 348 HA LYS 43 HA LYS 43 -3.023 7.547 3.743 349 HB2 LYS 43 HB2 LYS 43 -3.971 5.462 3.066 350 HB3 LYS 43 HB3 LYS 43 -5.554 6.182 2.843 351 HG2 LYS 43 HG2 LYS 43 -4.705 5.844 0.683 352 HG3 LYS 43 HG3 LYS 43 -4.494 7.567 0.990 353 HD2 LYS 43 HD2 LYS 43 -2.520 6.536 -0.077 354 HD3 LYS 43 HD3 LYS 43 -2.154 7.227 1.506 355 HE2 LYS 43 HE2 LYS 43 -2.339 4.979 2.501 356 HE3 LYS 43 HE3 LYS 43 -2.640 4.311 0.898 357 HZ1 LYS 43 HZ1 LYS 43 -0.461 5.087 0.209 358 HZ2 LYS 43 HZ2 LYS 43 -0.334 4.054 1.542 359 HZ3 LYS 43 HZ3 LYS 43 -0.173 5.724 1.750 360 H SER 44 H SER 44 -6.246 8.672 4.261 361 HA SER 44 HA SER 44 -5.706 11.285 3.375 362 HB2 SER 44 HB2 SER 44 -5.845 10.321 1.130 363 HB3 SER 44 HB3 SER 44 -7.419 9.624 1.508 364 HG SER 44 HG SER 44 -8.333 11.530 1.286 365 HA PRO 45 HA PRO 45 -9.182 11.594 6.153 366 HB2 PRO 45 HB2 PRO 45 -9.292 14.438 5.463 367 HB3 PRO 45 HB3 PRO 45 -8.889 13.678 7.004 368 HG2 PRO 45 HG2 PRO 45 -7.043 14.940 5.493 369 HG3 PRO 45 HG3 PRO 45 -6.648 13.535 6.500 370 HD2 PRO 45 HD2 PRO 45 -7.133 13.675 3.546 371 HD3 PRO 45 HD3 PRO 45 -5.901 12.762 4.443 372 H ARG 46 H ARG 46 -9.528 13.849 3.412 373 HA ARG 46 HA ARG 46 -12.033 14.019 2.988 374 HB2 ARG 46 HB2 ARG 46 -10.164 13.252 0.746 375 HB3 ARG 46 HB3 ARG 46 -11.747 13.985 0.525 376 HG2 ARG 46 HG2 ARG 46 -10.988 15.955 1.786 377 HG3 ARG 46 HG3 ARG 46 -9.390 15.221 1.932 378 HD2 ARG 46 HD2 ARG 46 -9.166 15.208 -0.498 379 HD3 ARG 46 HD3 ARG 46 -10.774 15.913 -0.657 380 HE ARG 46 HE ARG 46 -9.127 17.539 0.976 381 HH11 ARG 46 HH11 ARG 46 -9.667 16.637 -2.347 382 HH12 ARG 46 HH12 ARG 46 -9.061 18.129 -2.984 383 HH21 ARG 46 HH21 ARG 46 -8.329 19.506 0.145 384 HH22 ARG 46 HH22 ARG 46 -8.299 19.759 -1.569 385 H VAL 47 H VAL 47 -10.455 10.916 2.523 386 HA VAL 47 HA VAL 47 -12.342 9.522 1.145 387 HB VAL 47 HB VAL 47 -11.585 7.498 2.151 388 HG11 VAL 47 HG11 VAL 47 -9.948 8.554 0.732 389 HG12 VAL 47 HG12 VAL 47 -9.128 7.764 2.080 390 HG13 VAL 47 HG13 VAL 47 -9.345 9.514 2.083 391 HG21 VAL 47 HG21 VAL 47 -11.860 8.002 4.482 392 HG22 VAL 47 HG22 VAL 47 -10.574 9.205 4.420 393 HG23 VAL 47 HG23 VAL 47 -10.193 7.496 4.211 394 H ALA 48 H ALA 48 -14.378 8.802 1.464 395 HA ALA 48 HA ALA 48 -15.641 9.403 4.006 396 HB1 ALA 48 HB1 ALA 48 -17.740 9.090 2.816 397 HB2 ALA 48 HB2 ALA 48 -16.866 8.501 1.403 398 HB3 ALA 48 HB3 ALA 48 -16.674 10.175 1.923 399 HA PRO 49 HA PRO 49 -15.889 5.323 5.659 400 HB2 PRO 49 HB2 PRO 49 -18.766 5.858 6.173 401 HB3 PRO 49 HB3 PRO 49 -17.491 5.381 7.299 402 HG2 PRO 49 HG2 PRO 49 -18.421 7.877 7.273 403 HG3 PRO 49 HG3 PRO 49 -16.697 7.547 7.525 404 HD2 PRO 49 HD2 PRO 49 -18.104 8.519 5.073 405 HD3 PRO 49 HD3 PRO 49 -16.518 8.983 5.723 406 H GLY 50 H GLY 50 -18.823 6.231 3.834 407 HA2 GLY 50 HA2 GLY 50 -19.211 3.515 2.962 408 HA3 GLY 50 HA3 GLY 50 -20.190 4.906 2.518 409 H SER 51 H SER 51 -16.796 5.194 2.077 410 HA SER 51 HA SER 51 -17.153 4.787 -0.820 411 HB2 SER 51 HB2 SER 51 -15.404 6.769 0.650 412 HB3 SER 51 HB3 SER 51 -15.299 6.468 -1.084 413 HG SER 51 HG SER 51 -17.742 7.163 0.147 414 H ALA 52 H ALA 52 -16.222 2.953 -1.423 415 HA ALA 52 HA ALA 52 -13.543 2.335 -0.366 416 HB1 ALA 52 HB1 ALA 52 -15.207 0.825 0.603 417 HB2 ALA 52 HB2 ALA 52 -14.085 -0.037 -0.450 418 HB3 ALA 52 HB3 ALA 52 -15.712 0.343 -1.016 419 HA PRO 53 HA PRO 53 -13.059 2.902 -4.914 420 HB2 PRO 53 HB2 PRO 53 -10.232 2.875 -3.990 421 HB3 PRO 53 HB3 PRO 53 -11.047 3.996 -5.086 422 HG2 PRO 53 HG2 PRO 53 -10.448 4.723 -2.595 423 HG3 PRO 53 HG3 PRO 53 -11.971 5.227 -3.351 424 HD2 PRO 53 HD2 PRO 53 -11.477 3.092 -1.318 425 HD3 PRO 53 HD3 PRO 53 -12.840 4.221 -1.461 426 HA PRO 54 HA PRO 54 -12.188 -1.253 -6.122 427 HB2 PRO 54 HB2 PRO 54 -10.359 -0.152 -8.190 428 HB3 PRO 54 HB3 PRO 54 -11.752 -1.223 -8.373 429 HG2 PRO 54 HG2 PRO 54 -11.901 1.344 -9.073 430 HG3 PRO 54 HG3 PRO 54 -13.273 0.521 -8.307 431 HD2 PRO 54 HD2 PRO 54 -11.319 2.450 -7.129 432 HD3 PRO 54 HD3 PRO 54 -13.059 2.275 -6.823 433 H TRP 55 H TRP 55 -10.966 -2.135 -4.487 434 HA TRP 55 HA TRP 55 -8.108 -1.641 -4.500 435 HB2 TRP 55 HB2 TRP 55 -10.062 -2.494 -2.501 436 HB3 TRP 55 HB3 TRP 55 -8.533 -3.371 -2.417 437 HD1 TRP 55 HD1 TRP 55 -9.555 0.357 -2.805 438 HE1 TRP 55 HE1 TRP 55 -7.976 1.768 -1.344 439 HE3 TRP 55 HE3 TRP 55 -6.635 -3.395 -0.885 440 HZ2 TRP 55 HZ2 TRP 55 -5.779 1.343 0.377 441 HZ3 TRP 55 HZ3 TRP 55 -4.836 -2.786 0.647 442 HH2 TRP 55 HH2 TRP 55 -4.425 -0.481 1.285 443 HA PRO 56 HA PRO 56 -8.683 -6.582 -5.171 444 HB2 PRO 56 HB2 PRO 56 -10.293 -5.981 -7.621 445 HB3 PRO 56 HB3 PRO 56 -10.319 -7.412 -6.582 446 HG2 PRO 56 HG2 PRO 56 -12.231 -5.578 -6.389 447 HG3 PRO 56 HG3 PRO 56 -11.575 -6.358 -4.938 448 HD2 PRO 56 HD2 PRO 56 -11.119 -3.609 -5.982 449 HD3 PRO 56 HD3 PRO 56 -11.159 -4.190 -4.306 450 H ALA 57 H ALA 57 -8.198 -3.769 -7.113 451 HA ALA 57 HA ALA 57 -6.821 -4.701 -9.294 452 HB1 ALA 57 HB1 ALA 57 -5.717 -2.534 -9.381 453 HB2 ALA 57 HB2 ALA 57 -6.177 -2.219 -7.708 454 HB3 ALA 57 HB3 ALA 57 -7.418 -2.352 -8.953 455 H LEU 58 H LEU 58 -5.666 -4.350 -5.990 456 HA LEU 58 HA LEU 58 -2.979 -4.614 -6.314 457 HB2 LEU 58 HB2 LEU 58 -2.977 -5.810 -4.095 458 HB3 LEU 58 HB3 LEU 58 -3.781 -4.254 -4.135 459 HG LEU 58 HG LEU 58 -5.941 -5.685 -4.491 460 HD11 LEU 58 HD11 LEU 58 -4.961 -7.838 -4.777 461 HD12 LEU 58 HD12 LEU 58 -5.781 -7.828 -3.218 462 HD13 LEU 58 HD13 LEU 58 -4.027 -7.671 -3.294 463 HD21 LEU 58 HD21 LEU 58 -4.509 -5.513 -1.845 464 HD22 LEU 58 HD22 LEU 58 -6.238 -5.785 -2.062 465 HD23 LEU 58 HD23 LEU 58 -5.514 -4.259 -2.571 466 H ARG 59 H ARG 59 -5.358 -7.238 -6.395 467 HA ARG 59 HA ARG 59 -3.718 -9.366 -6.601 468 HB2 ARG 59 HB2 ARG 59 -6.221 -8.912 -8.242 469 HB3 ARG 59 HB3 ARG 59 -5.463 -10.474 -7.966 470 HG2 ARG 59 HG2 ARG 59 -5.887 -10.256 -5.568 471 HG3 ARG 59 HG3 ARG 59 -6.653 -8.692 -5.850 472 HD2 ARG 59 HD2 ARG 59 -8.347 -9.768 -7.242 473 HD3 ARG 59 HD3 ARG 59 -7.575 -11.332 -6.983 474 HE ARG 59 HE ARG 59 -8.180 -10.215 -4.488 475 HH11 ARG 59 HH11 ARG 59 -9.809 -11.506 -7.286 476 HH12 ARG 59 HH12 ARG 59 -11.190 -12.047 -6.391 477 HH21 ARG 59 HH21 ARG 59 -9.993 -10.925 -3.303 478 HH22 ARG 59 HH22 ARG 59 -11.295 -11.717 -4.128 479 H SER 60 H SER 60 -4.817 -7.404 -9.354 480 HA SER 60 HA SER 60 -3.242 -8.534 -11.273 481 HB2 SER 60 HB2 SER 60 -4.040 -5.618 -11.062 482 HB3 SER 60 HB3 SER 60 -3.481 -6.416 -12.532 483 HG SER 60 HG SER 60 -5.426 -7.134 -12.809 484 H LEU 61 H LEU 61 -2.295 -6.365 -8.741 485 HA LEU 61 HA LEU 61 0.133 -5.451 -9.980 486 HB2 LEU 61 HB2 LEU 61 -1.080 -5.204 -7.265 487 HB3 LEU 61 HB3 LEU 61 0.647 -4.938 -7.444 488 HG LEU 61 HG LEU 61 -0.136 -3.331 -9.386 489 HD11 LEU 61 HD11 LEU 61 -2.520 -3.356 -7.544 490 HD12 LEU 61 HD12 LEU 61 -2.498 -3.896 -9.223 491 HD13 LEU 61 HD13 LEU 61 -2.223 -2.197 -8.839 492 HD21 LEU 61 HD21 LEU 61 1.165 -2.648 -7.475 493 HD22 LEU 61 HD22 LEU 61 -0.271 -2.668 -6.452 494 HD23 LEU 61 HD23 LEU 61 -0.135 -1.489 -7.757 495 H LEU 62 H LEU 62 -0.856 -8.197 -8.075 496 HA LEU 62 HA LEU 62 1.676 -9.006 -7.057 497 HB2 LEU 62 HB2 LEU 62 -0.673 -10.704 -7.901 498 HB3 LEU 62 HB3 LEU 62 0.664 -11.231 -6.905 499 HG LEU 62 HG LEU 62 -1.114 -8.986 -6.001 500 HD11 LEU 62 HD11 LEU 62 -2.484 -10.617 -4.814 501 HD12 LEU 62 HD12 LEU 62 -1.587 -11.934 -5.569 502 HD13 LEU 62 HD13 LEU 62 -2.580 -10.863 -6.558 503 HD21 LEU 62 HD21 LEU 62 1.021 -9.413 -4.825 504 HD22 LEU 62 HD22 LEU 62 0.478 -11.055 -4.489 505 HD23 LEU 62 HD23 LEU 62 -0.388 -9.682 -3.800 506 H HIS 63 H HIS 63 -0.081 -9.386 -10.052 507 HA HIS 63 HA HIS 63 1.665 -11.177 -11.319 508 HB2 HIS 63 HB2 HIS 63 -0.640 -10.730 -12.076 509 HB3 HIS 63 HB3 HIS 63 -0.162 -9.106 -12.555 510 HD1 HIS 63 HD1 HIS 63 -0.072 -12.644 -13.656 511 HD2 HIS 63 HD2 HIS 63 1.462 -8.984 -14.886 512 HE1 HIS 63 HE1 HIS 63 0.741 -13.012 -16.007 513 HE2 HIS 63 HE2 HIS 63 1.592 -10.763 -16.759 514 H ARG 64 H ARG 64 1.521 -7.606 -11.354 515 HA ARG 64 HA ARG 64 3.733 -7.322 -13.047 516 HB2 ARG 64 HB2 ARG 64 2.638 -5.370 -11.013 517 HB3 ARG 64 HB3 ARG 64 3.709 -4.970 -12.348 518 HG2 ARG 64 HG2 ARG 64 1.943 -5.789 -13.908 519 HG3 ARG 64 HG3 ARG 64 0.872 -5.949 -12.516 520 HD2 ARG 64 HD2 ARG 64 1.137 -3.559 -12.046 521 HD3 ARG 64 HD3 ARG 64 2.198 -3.404 -13.446 522 HE ARG 64 HE ARG 64 -0.556 -4.351 -13.807 523 HH11 ARG 64 HH11 ARG 64 1.918 -1.959 -14.355 524 HH12 ARG 64 HH12 ARG 64 1.014 -1.117 -15.569 525 HH21 ARG 64 HH21 ARG 64 -1.752 -3.249 -15.404 526 HH22 ARG 64 HH22 ARG 64 -1.071 -1.850 -16.165 527 H ASN 65 H ASN 65 3.628 -8.536 -10.007 528 HA ASN 65 HA ASN 65 5.203 -9.115 -8.499 529 HB2 ASN 65 HB2 ASN 65 6.538 -9.298 -10.759 530 HB3 ASN 65 HB3 ASN 65 7.397 -7.898 -10.122 531 HD21 ASN 65 HD21 ASN 65 6.021 -10.402 -8.132 532 HD22 ASN 65 HD22 ASN 65 7.515 -11.059 -7.580 533 H LEU 66 H LEU 66 4.008 -6.339 -8.584 534 HA LEU 66 HA LEU 66 6.059 -4.822 -7.204 535 HB2 LEU 66 HB2 LEU 66 3.181 -4.016 -7.455 536 HB3 LEU 66 HB3 LEU 66 4.581 -2.987 -7.255 537 HG LEU 66 HG LEU 66 3.592 -4.339 -9.742 538 HD11 LEU 66 HD11 LEU 66 4.514 -1.538 -9.135 539 HD12 LEU 66 HD12 LEU 66 2.835 -2.074 -9.215 540 HD13 LEU 66 HD13 LEU 66 3.841 -2.107 -10.663 541 HD21 LEU 66 HD21 LEU 66 5.943 -4.939 -9.622 542 HD22 LEU 66 HD22 LEU 66 6.370 -3.262 -9.291 543 HD23 LEU 66 HD23 LEU 66 5.690 -3.704 -10.856 544 H VAL 67 H VAL 67 3.106 -6.547 -6.506 545 HA VAL 67 HA VAL 67 3.638 -6.226 -3.634 546 HB VAL 67 HB VAL 67 1.228 -7.030 -3.391 547 HG11 VAL 67 HG11 VAL 67 0.301 -4.821 -3.771 548 HG12 VAL 67 HG12 VAL 67 1.664 -4.406 -4.810 549 HG13 VAL 67 HG13 VAL 67 1.922 -4.687 -3.088 550 HG21 VAL 67 HG21 VAL 67 1.102 -6.285 -6.299 551 HG22 VAL 67 HG22 VAL 67 -0.239 -6.797 -5.272 552 HG23 VAL 67 HG23 VAL 67 1.051 -7.930 -5.672 553 H LEU 68 H LEU 68 2.768 -8.221 -2.353 554 HA LEU 68 HA LEU 68 3.413 -10.697 -3.796 555 HB2 LEU 68 HB2 LEU 68 5.326 -9.577 -2.367 556 HB3 LEU 68 HB3 LEU 68 4.455 -10.295 -1.030 557 HG LEU 68 HG LEU 68 5.523 -11.854 -3.384 558 HD11 LEU 68 HD11 LEU 68 6.654 -11.540 -0.608 559 HD12 LEU 68 HD12 LEU 68 7.344 -10.880 -2.090 560 HD13 LEU 68 HD13 LEU 68 7.263 -12.626 -1.857 561 HD21 LEU 68 HD21 LEU 68 4.398 -12.740 -0.730 562 HD22 LEU 68 HD22 LEU 68 5.109 -13.797 -1.949 563 HD23 LEU 68 HD23 LEU 68 3.623 -12.918 -2.304 564 H ARG 69 H ARG 69 1.858 -12.162 -3.482 565 HA ARG 69 HA ARG 69 -0.091 -11.756 -1.347 566 HB2 ARG 69 HB2 ARG 69 -1.201 -13.773 -2.498 567 HB3 ARG 69 HB3 ARG 69 -1.212 -12.226 -3.336 568 HG2 ARG 69 HG2 ARG 69 0.384 -12.908 -4.875 569 HG3 ARG 69 HG3 ARG 69 0.931 -14.246 -3.862 570 HD2 ARG 69 HD2 ARG 69 -1.190 -15.393 -4.223 571 HD3 ARG 69 HD3 ARG 69 -1.758 -14.049 -5.214 572 HE ARG 69 HE ARG 69 0.647 -14.991 -6.292 573 HH11 ARG 69 HH11 ARG 69 -2.648 -16.033 -5.842 574 HH12 ARG 69 HH12 ARG 69 -2.650 -17.058 -7.238 575 HH21 ARG 69 HH21 ARG 69 0.653 -16.338 -8.131 576 HH22 ARG 69 HH22 ARG 69 -0.773 -17.232 -8.539 577 H THR 70 H THR 70 -0.518 -13.288 0.255 578 HA THR 70 HA THR 70 1.413 -15.485 0.414 579 HB THR 70 HB THR 70 0.254 -14.143 2.838 580 HG1 THR 70 HG1 THR 70 2.564 -13.064 2.463 581 HG21 THR 70 HG21 THR 70 2.787 -14.696 3.456 582 HG22 THR 70 HG22 THR 70 2.554 -15.916 2.203 583 HG23 THR 70 HG23 THR 70 1.503 -15.892 3.621 584 H HIS 71 H HIS 71 0.707 -16.827 2.481 585 HA HIS 71 HA HIS 71 -0.704 -18.911 1.982 586 HB2 HIS 71 HB2 HIS 71 0.052 -17.520 4.318 587 HB3 HIS 71 HB3 HIS 71 -1.555 -18.173 4.591 588 HD1 HIS 71 HD1 HIS 71 -1.679 -20.890 3.916 589 HD2 HIS 71 HD2 HIS 71 2.019 -19.246 4.861 590 HE1 HIS 71 HE1 HIS 71 -0.206 -22.845 4.499 591 HE2 HIS 71 HE2 HIS 71 1.999 -21.819 5.159 592 H GLN 72 H GLN 72 -2.438 -15.871 2.432 593 HA GLN 72 HA GLN 72 -4.672 -15.389 2.291 594 HB2 GLN 72 HB2 GLN 72 -4.989 -18.273 1.454 595 HB3 GLN 72 HB3 GLN 72 -6.186 -17.003 1.264 596 HG2 GLN 72 HG2 GLN 72 -4.695 -15.817 -0.260 597 HG3 GLN 72 HG3 GLN 72 -3.490 -17.089 -0.069 598 HE21 GLN 72 HE21 GLN 72 -3.845 -19.099 -1.009 599 HE22 GLN 72 HE22 GLN 72 -5.034 -19.342 -2.238 600 HA PRO 73 HA PRO 73 -5.779 -13.911 4.424 601 HB2 PRO 73 HB2 PRO 73 -3.551 -14.465 6.355 602 HB3 PRO 73 HB3 PRO 73 -4.745 -13.162 6.371 603 HG2 PRO 73 HG2 PRO 73 -5.035 -15.382 7.871 604 HG3 PRO 73 HG3 PRO 73 -6.417 -14.516 7.181 605 HD2 PRO 73 HD2 PRO 73 -5.373 -17.158 6.504 606 HD3 PRO 73 HD3 PRO 73 -6.913 -16.411 6.041 607 H ALA 74 H ALA 74 -5.037 -13.474 2.464 608 HA ALA 74 HA ALA 74 -2.406 -14.104 1.573 609 HB1 ALA 74 HB1 ALA 74 -2.989 -12.886 -0.449 610 HB2 ALA 74 HB2 ALA 74 -4.422 -12.229 0.341 611 HB3 ALA 74 HB3 ALA 74 -4.303 -13.960 0.029 612 H ARG 75 H ARG 75 -0.984 -13.157 3.040 613 HA ARG 75 HA ARG 75 -1.072 -10.406 3.797 614 HB2 ARG 75 HB2 ARG 75 1.340 -12.229 3.685 615 HB3 ARG 75 HB3 ARG 75 1.159 -10.776 4.653 616 HG2 ARG 75 HG2 ARG 75 -0.272 -11.797 6.159 617 HG3 ARG 75 HG3 ARG 75 -0.717 -13.072 5.023 618 HD2 ARG 75 HD2 ARG 75 1.401 -14.143 5.274 619 HD3 ARG 75 HD3 ARG 75 2.048 -12.774 6.184 620 HE ARG 75 HE ARG 75 -0.180 -13.766 7.552 621 HH11 ARG 75 HH11 ARG 75 3.048 -14.751 6.687 622 HH12 ARG 75 HH12 ARG 75 3.244 -15.777 8.069 623 HH21 ARG 75 HH21 ARG 75 0.069 -15.113 9.374 624 HH22 ARG 75 HH22 ARG 75 1.550 -15.983 9.596 625 H TYR 76 H TYR 76 -0.694 -8.719 2.432 626 HA TYR 76 HA TYR 76 0.882 -9.191 0.101 627 HB2 TYR 76 HB2 TYR 76 -0.704 -6.789 0.998 628 HB3 TYR 76 HB3 TYR 76 0.143 -6.888 -0.543 629 HD1 TYR 76 HD1 TYR 76 -0.450 -8.910 -2.053 630 HD2 TYR 76 HD2 TYR 76 -2.906 -7.558 1.147 631 HE1 TYR 76 HE1 TYR 76 -2.374 -10.072 -3.053 632 HE2 TYR 76 HE2 TYR 76 -4.838 -8.717 0.160 633 HH TYR 76 HH TYR 76 -5.569 -9.535 -2.038 634 H SER 77 H SER 77 2.683 -7.883 -0.598 635 HA SER 77 HA SER 77 4.062 -6.481 1.451 636 HB2 SER 77 HB2 SER 77 5.341 -8.987 0.337 637 HB3 SER 77 HB3 SER 77 6.156 -7.788 1.340 638 HG SER 77 HG SER 77 5.479 -9.078 2.876 639 H LEU 78 H LEU 78 5.786 -5.225 0.640 640 HA LEU 78 HA LEU 78 5.435 -4.510 -2.150 641 HB2 LEU 78 HB2 LEU 78 7.087 -3.357 0.085 642 HB3 LEU 78 HB3 LEU 78 7.185 -2.765 -1.556 643 HG LEU 78 HG LEU 78 4.897 -2.552 0.371 644 HD11 LEU 78 HD11 LEU 78 5.099 -0.191 -0.164 645 HD12 LEU 78 HD12 LEU 78 6.380 -0.548 -1.320 646 HD13 LEU 78 HD13 LEU 78 6.639 -0.837 0.400 647 HD21 LEU 78 HD21 LEU 78 4.807 -2.063 -2.604 648 HD22 LEU 78 HD22 LEU 78 3.555 -1.609 -1.449 649 HD23 LEU 78 HD23 LEU 78 3.922 -3.311 -1.725 650 H THR 79 H THR 79 6.624 -5.393 -3.742 651 HA THR 79 HA THR 79 9.129 -6.667 -3.150 652 HB THR 79 HB THR 79 8.693 -6.538 -5.950 653 HG1 THR 79 HG1 THR 79 6.466 -7.526 -5.791 654 HG21 THR 79 HG21 THR 79 9.616 -8.452 -4.705 655 HG22 THR 79 HG22 THR 79 8.260 -8.935 -5.724 656 HG23 THR 79 HG23 THR 79 8.031 -8.737 -3.986 657 HA PRO 80 HA PRO 80 12.264 -3.812 -4.557 658 HB2 PRO 80 HB2 PRO 80 12.088 -4.893 -7.349 659 HB3 PRO 80 HB3 PRO 80 13.517 -4.475 -6.400 660 HG2 PRO 80 HG2 PRO 80 12.783 -7.008 -6.632 661 HG3 PRO 80 HG3 PRO 80 13.355 -6.384 -5.074 662 HD2 PRO 80 HD2 PRO 80 10.599 -7.075 -5.941 663 HD3 PRO 80 HD3 PRO 80 11.327 -7.147 -4.324 664 H GLU 81 H GLU 81 9.912 -4.198 -7.235 665 HA GLU 81 HA GLU 81 10.199 -1.498 -8.109 666 HB2 GLU 81 HB2 GLU 81 8.146 -3.626 -8.687 667 HB3 GLU 81 HB3 GLU 81 8.082 -2.023 -9.401 668 HG2 GLU 81 HG2 GLU 81 9.084 -3.582 -10.938 669 HG3 GLU 81 HG3 GLU 81 10.275 -2.393 -10.417 670 H GLY 82 H GLY 82 7.806 -3.190 -6.091 671 HA2 GLY 82 HA2 GLY 82 5.981 -0.992 -5.891 672 HA3 GLY 82 HA3 GLY 82 6.056 -2.379 -4.824 673 H LEU 83 H LEU 83 8.931 -1.912 -4.316 674 HA LEU 83 HA LEU 83 8.606 -0.277 -1.991 675 HB2 LEU 83 HB2 LEU 83 10.350 -2.272 -2.767 676 HB3 LEU 83 HB3 LEU 83 11.348 -0.836 -2.836 677 HG LEU 83 HG LEU 83 11.622 -1.861 -0.683 678 HD11 LEU 83 HD11 LEU 83 11.628 0.567 -0.701 679 HD12 LEU 83 HD12 LEU 83 10.935 -0.044 0.802 680 HD13 LEU 83 HD13 LEU 83 9.880 0.587 -0.462 681 HD21 LEU 83 HD21 LEU 83 9.758 -2.193 0.853 682 HD22 LEU 83 HD22 LEU 83 9.544 -3.134 -0.624 683 HD23 LEU 83 HD23 LEU 83 8.631 -1.644 -0.388 684 H GLU 84 H GLU 84 10.679 -0.033 -4.867 685 HA GLU 84 HA GLU 84 11.592 2.489 -4.550 686 HB2 GLU 84 HB2 GLU 84 10.791 1.170 -7.147 687 HB3 GLU 84 HB3 GLU 84 11.745 2.643 -7.047 688 HG2 GLU 84 HG2 GLU 84 13.491 1.447 -5.853 689 HG3 GLU 84 HG3 GLU 84 12.526 -0.024 -5.909 690 H LEU 85 H LEU 85 8.564 1.633 -6.193 691 HA LEU 85 HA LEU 85 7.887 4.290 -6.961 692 HB2 LEU 85 HB2 LEU 85 6.773 1.639 -7.156 693 HB3 LEU 85 HB3 LEU 85 5.553 2.769 -6.614 694 HG LEU 85 HG LEU 85 7.204 3.062 -9.125 695 HD11 LEU 85 HD11 LEU 85 5.616 1.223 -9.281 696 HD12 LEU 85 HD12 LEU 85 5.118 2.574 -10.299 697 HD13 LEU 85 HD13 LEU 85 4.314 2.290 -8.756 698 HD21 LEU 85 HD21 LEU 85 5.679 4.893 -9.657 699 HD22 LEU 85 HD22 LEU 85 6.562 5.214 -8.165 700 HD23 LEU 85 HD23 LEU 85 4.880 4.688 -8.098 701 H ALA 86 H ALA 86 7.155 2.188 -4.201 702 HA ALA 86 HA ALA 86 5.184 3.795 -2.979 703 HB1 ALA 86 HB1 ALA 86 5.718 2.584 -0.929 704 HB2 ALA 86 HB2 ALA 86 7.178 1.942 -1.681 705 HB3 ALA 86 HB3 ALA 86 5.592 1.489 -2.304 706 H GLN 87 H GLN 87 8.721 3.870 -2.799 707 HA GLN 87 HA GLN 87 8.932 5.690 -0.630 708 HB2 GLN 87 HB2 GLN 87 10.775 5.161 -2.971 709 HB3 GLN 87 HB3 GLN 87 11.186 6.199 -1.614 710 HG2 GLN 87 HG2 GLN 87 10.997 4.311 -0.093 711 HG3 GLN 87 HG3 GLN 87 10.546 3.264 -1.437 712 HE21 GLN 87 HE21 GLN 87 12.107 2.656 -2.937 713 HE22 GLN 87 HE22 GLN 87 13.797 2.826 -2.624 714 H LYS 88 H LYS 88 8.719 6.072 -4.124 715 HA LYS 88 HA LYS 88 8.740 8.814 -4.209 716 HB2 LYS 88 HB2 LYS 88 7.121 7.112 -6.095 717 HB3 LYS 88 HB3 LYS 88 7.967 8.612 -6.436 718 HG2 LYS 88 HG2 LYS 88 10.109 7.493 -6.150 719 HG3 LYS 88 HG3 LYS 88 9.281 5.996 -5.742 720 HD2 LYS 88 HD2 LYS 88 8.197 6.085 -8.002 721 HD3 LYS 88 HD3 LYS 88 9.272 7.431 -8.387 722 HE2 LYS 88 HE2 LYS 88 11.214 5.996 -7.959 723 HE3 LYS 88 HE3 LYS 88 10.138 4.650 -7.581 724 HZ1 LYS 88 HZ1 LYS 88 10.967 4.518 -9.845 725 HZ2 LYS 88 HZ2 LYS 88 10.315 6.037 -10.204 726 HZ3 LYS 88 HZ3 LYS 88 9.290 4.742 -9.841 727 H LEU 89 H LEU 89 5.927 6.656 -4.001 728 HA LEU 89 HA LEU 89 3.921 8.646 -4.218 729 HB2 LEU 89 HB2 LEU 89 4.031 5.854 -3.117 730 HB3 LEU 89 HB3 LEU 89 2.589 6.833 -2.947 731 HG LEU 89 HG LEU 89 2.359 6.972 -5.361 732 HD11 LEU 89 HD11 LEU 89 4.773 6.909 -5.904 733 HD12 LEU 89 HD12 LEU 89 3.796 5.820 -6.887 734 HD13 LEU 89 HD13 LEU 89 4.761 5.180 -5.558 735 HD21 LEU 89 HD21 LEU 89 1.408 5.049 -4.103 736 HD22 LEU 89 HD22 LEU 89 2.839 4.117 -4.542 737 HD23 LEU 89 HD23 LEU 89 1.745 4.699 -5.798 738 H ALA 90 H ALA 90 5.883 7.369 -1.668 739 HA ALA 90 HA ALA 90 4.552 8.493 0.496 740 HB1 ALA 90 HB1 ALA 90 6.553 8.026 1.773 741 HB2 ALA 90 HB2 ALA 90 7.496 7.882 0.289 742 HB3 ALA 90 HB3 ALA 90 6.233 6.705 0.649 743 H GLU 91 H GLU 91 6.879 9.897 -1.675 744 HA GLU 91 HA GLU 91 7.783 12.064 -0.124 745 HB2 GLU 91 HB2 GLU 91 7.293 12.227 -3.088 746 HB3 GLU 91 HB3 GLU 91 8.529 13.046 -2.141 747 HG2 GLU 91 HG2 GLU 91 9.659 10.945 -1.749 748 HG3 GLU 91 HG3 GLU 91 8.386 10.091 -2.621 749 H SER 92 H SER 92 5.090 11.797 -2.393 750 HA SER 92 HA SER 92 3.999 14.250 -2.148 751 HB2 SER 92 HB2 SER 92 3.225 12.531 -3.716 752 HB3 SER 92 HB3 SER 92 2.486 11.642 -2.385 753 HG SER 92 HG SER 92 1.645 13.956 -3.665 754 H GLU 93 H GLU 93 3.785 11.672 0.220 755 HA GLU 93 HA GLU 93 1.704 13.091 1.726 756 HB2 GLU 93 HB2 GLU 93 3.005 10.470 2.444 757 HB3 GLU 93 HB3 GLU 93 1.490 11.124 3.040 758 HG2 GLU 93 HG2 GLU 93 1.954 10.301 0.191 759 HG3 GLU 93 HG3 GLU 93 1.263 9.252 1.427 760 H GLY 94 H GLY 94 4.981 13.094 1.361 761 HA2 GLY 94 HA2 GLY 94 6.515 14.376 2.600 762 HA3 GLY 94 HA3 GLY 94 5.328 14.503 3.897 763 H LEU 95 H LEU 95 5.112 11.434 3.053 764 HA LEU 95 HA LEU 95 5.967 9.423 3.664 765 HB2 LEU 95 HB2 LEU 95 8.246 10.858 3.165 766 HB3 LEU 95 HB3 LEU 95 8.476 10.379 4.837 767 HG LEU 95 HG LEU 95 8.266 8.656 2.395 768 HD11 LEU 95 HD11 LEU 95 10.274 7.636 3.344 769 HD12 LEU 95 HD12 LEU 95 10.174 8.732 4.723 770 HD13 LEU 95 HD13 LEU 95 10.470 9.373 3.107 771 HD21 LEU 95 HD21 LEU 95 7.796 7.763 5.236 772 HD22 LEU 95 HD22 LEU 95 8.104 6.683 3.877 773 HD23 LEU 95 HD23 LEU 95 6.650 7.683 3.896 774 H SER 96 H SER 96 4.528 11.326 5.362 775 HA SER 96 HA SER 96 5.497 10.617 8.040 776 HB2 SER 96 HB2 SER 96 3.393 12.614 7.166 777 HB3 SER 96 HB3 SER 96 3.865 12.312 8.838 778 HG SER 96 HG SER 96 4.964 14.110 7.943 779 H LEU 97 H LEU 97 4.302 8.612 6.367 780 HA LEU 97 HA LEU 97 1.504 8.340 7.094 781 HB2 LEU 97 HB2 LEU 97 3.345 6.403 5.692 782 HB3 LEU 97 HB3 LEU 97 1.612 6.221 5.877 783 HG LEU 97 HG LEU 97 1.451 8.450 4.575 784 HD11 LEU 97 HD11 LEU 97 3.766 9.103 4.655 785 HD12 LEU 97 HD12 LEU 97 3.318 8.774 2.982 786 HD13 LEU 97 HD13 LEU 97 4.258 7.592 3.891 787 HD21 LEU 97 HD21 LEU 97 1.500 7.250 2.450 788 HD22 LEU 97 HD22 LEU 97 0.724 6.291 3.710 789 HD23 LEU 97 HD23 LEU 97 2.376 5.924 3.214 790 H LEU 98 H LEU 98 4.139 5.967 7.339 791 HA LEU 98 HA LEU 98 3.301 4.476 9.355 792 HB2 LEU 98 HB2 LEU 98 5.554 4.425 8.101 793 HB3 LEU 98 HB3 LEU 98 6.157 5.415 9.415 794 HG LEU 98 HG LEU 98 4.921 2.689 9.814 795 HD11 LEU 98 HD11 LEU 98 6.935 2.496 8.458 796 HD12 LEU 98 HD12 LEU 98 7.207 1.870 10.084 797 HD13 LEU 98 HD13 LEU 98 7.831 3.457 9.635 798 HD21 LEU 98 HD21 LEU 98 6.537 4.484 11.621 799 HD22 LEU 98 HD22 LEU 98 6.064 2.828 11.999 800 HD23 LEU 98 HD23 LEU 98 4.831 4.072 11.795 801 H ASN 99 H ASN 99 5.266 7.394 9.957 802 HA ASN 99 HA ASN 99 4.278 7.405 12.724 803 HB2 ASN 99 HB2 ASN 99 6.718 7.402 12.479 804 HB3 ASN 99 HB3 ASN 99 6.630 8.861 11.496 805 HD21 ASN 99 HD21 ASN 99 6.148 10.826 12.473 806 HD22 ASN 99 HD22 ASN 99 6.263 11.053 14.182 807 H VAL 100 H VAL 100 2.560 8.652 13.041 808 HA VAL 100 HA VAL 100 2.525 11.326 11.821 809 HB VAL 100 HB VAL 100 1.017 9.899 10.517 810 HG11 VAL 100 HG11 VAL 100 0.473 8.254 12.226 811 HG12 VAL 100 HG12 VAL 100 -0.995 8.949 11.539 812 HG13 VAL 100 HG13 VAL 100 -0.432 9.471 13.127 813 HG21 VAL 100 HG21 VAL 100 -1.003 11.275 10.706 814 HG22 VAL 100 HG22 VAL 100 0.462 12.254 10.783 815 HG23 VAL 100 HG23 VAL 100 -0.434 11.890 12.258 816 H GLY 101 H GLY 101 1.747 12.958 13.099 817 HA2 GLY 101 HA2 GLY 101 0.201 12.440 15.482 818 HA3 GLY 101 HA3 GLY 101 1.875 12.868 15.800 819 H ILE 102 H ILE 102 0.000 14.143 13.124 820 HA ILE 102 HA ILE 102 0.442 16.836 14.135 821 HB ILE 102 HB ILE 102 -0.689 15.871 11.504 822 HG12 ILE 102 HG12 ILE 102 1.469 16.954 10.658 823 HG13 ILE 102 HG13 ILE 102 1.997 16.966 12.337 824 HG21 ILE 102 HG21 ILE 102 -0.090 18.678 12.425 825 HG22 ILE 102 HG22 ILE 102 -1.681 18.002 12.073 826 HG23 ILE 102 HG23 ILE 102 -0.507 18.216 10.774 827 HD11 ILE 102 HD11 ILE 102 1.856 14.555 12.428 828 HD12 ILE 102 HD12 ILE 102 2.876 15.058 11.080 829 HD13 ILE 102 HD13 ILE 102 1.227 14.508 10.781 830 H GLY 103 H GLY 103 -1.129 18.225 14.803 831 HA2 GLY 103 HA2 GLY 103 -3.725 18.425 14.398 832 HA3 GLY 103 HA3 GLY 103 -3.711 17.016 15.448 Start of MODEL 2 1 H GLY 1 H GLY 1 7.259 1.109 -19.899 2 HA2 GLY 1 HA2 GLY 1 9.527 3.018 -20.074 3 HA3 GLY 1 HA3 GLY 1 7.913 3.289 -20.713 4 H SER 2 H SER 2 9.421 2.276 -17.645 5 HA SER 2 HA SER 2 9.023 2.864 -15.486 6 HB2 SER 2 HB2 SER 2 8.026 5.424 -16.757 7 HB3 SER 2 HB3 SER 2 8.406 5.216 -15.047 8 HG SER 2 HG SER 2 10.090 5.513 -17.218 9 H TYR 3 H TYR 3 7.137 4.013 -14.059 10 HA TYR 3 HA TYR 3 4.483 3.453 -15.012 11 HB2 TYR 3 HB2 TYR 3 5.287 1.185 -14.420 12 HB3 TYR 3 HB3 TYR 3 5.619 1.748 -12.786 13 HD1 TYR 3 HD1 TYR 3 2.952 0.995 -15.216 14 HD2 TYR 3 HD2 TYR 3 3.860 1.999 -11.184 15 HE1 TYR 3 HE1 TYR 3 0.649 0.431 -14.563 16 HE2 TYR 3 HE2 TYR 3 1.561 1.436 -10.519 17 HH TYR 3 HH TYR 3 -0.663 1.266 -11.546 18 H TRP 4 H TRP 4 3.144 4.869 -14.079 19 HA TRP 4 HA TRP 4 3.545 5.621 -11.281 20 HB2 TRP 4 HB2 TRP 4 4.780 7.243 -12.727 21 HB3 TRP 4 HB3 TRP 4 3.250 7.660 -13.493 22 HD1 TRP 4 HD1 TRP 4 1.578 9.207 -12.135 23 HE1 TRP 4 HE1 TRP 4 1.860 10.639 -10.014 24 HE3 TRP 4 HE3 TRP 4 6.007 7.295 -10.447 25 HZ2 TRP 4 HZ2 TRP 4 3.716 10.921 -7.904 26 HZ3 TRP 4 HZ3 TRP 4 6.969 8.200 -8.371 27 HH2 TRP 4 HH2 TRP 4 5.847 9.976 -7.128 28 HA PRO 5 HA PRO 5 -0.903 4.774 -11.775 29 HB2 PRO 5 HB2 PRO 5 -0.799 5.360 -8.868 30 HB3 PRO 5 HB3 PRO 5 -1.498 3.976 -9.713 31 HG2 PRO 5 HG2 PRO 5 0.786 3.742 -8.357 32 HG3 PRO 5 HG3 PRO 5 0.537 2.886 -9.889 33 HD2 PRO 5 HD2 PRO 5 2.124 5.359 -9.332 34 HD3 PRO 5 HD3 PRO 5 2.487 4.007 -10.425 35 H ALA 6 H ALA 6 -2.880 5.980 -10.877 36 HA ALA 6 HA ALA 6 -2.531 8.775 -11.410 37 HB1 ALA 6 HB1 ALA 6 -5.024 7.264 -10.636 38 HB2 ALA 6 HB2 ALA 6 -4.452 7.529 -12.283 39 HB3 ALA 6 HB3 ALA 6 -4.958 8.898 -11.293 40 H ARG 7 H ARG 7 -4.330 10.088 -9.892 41 HA ARG 7 HA ARG 7 -2.902 10.402 -7.416 42 HB2 ARG 7 HB2 ARG 7 -3.764 12.332 -8.688 43 HB3 ARG 7 HB3 ARG 7 -5.407 11.772 -8.410 44 HG2 ARG 7 HG2 ARG 7 -5.143 12.103 -6.025 45 HG3 ARG 7 HG3 ARG 7 -3.467 12.602 -6.263 46 HD2 ARG 7 HD2 ARG 7 -4.244 14.492 -7.628 47 HD3 ARG 7 HD3 ARG 7 -5.913 13.999 -7.344 48 HE ARG 7 HE ARG 7 -4.823 14.305 -4.848 49 HH11 ARG 7 HH11 ARG 7 -5.236 16.329 -7.654 50 HH12 ARG 7 HH12 ARG 7 -5.359 17.795 -6.739 51 HH21 ARG 7 HH21 ARG 7 -4.983 16.231 -3.635 52 HH22 ARG 7 HH22 ARG 7 -5.214 17.738 -4.455 53 H HIS 8 H HIS 8 -3.335 9.409 -5.561 54 HA HIS 8 HA HIS 8 -4.344 8.090 -3.998 55 HB2 HIS 8 HB2 HIS 8 -6.675 9.751 -4.957 56 HB3 HIS 8 HB3 HIS 8 -6.811 8.618 -3.617 57 HD1 HIS 8 HD1 HIS 8 -5.410 9.188 -1.455 58 HD2 HIS 8 HD2 HIS 8 -5.494 12.170 -4.347 59 HE1 HIS 8 HE1 HIS 8 -4.603 11.271 -0.298 60 HE2 HIS 8 HE2 HIS 8 -4.695 13.070 -2.059 61 H SER 9 H SER 9 -4.308 7.225 -6.914 62 HA SER 9 HA SER 9 -6.604 5.718 -7.499 63 HB2 SER 9 HB2 SER 9 -5.168 4.492 -9.082 64 HB3 SER 9 HB3 SER 9 -4.897 6.230 -9.185 65 HG SER 9 HG SER 9 -3.060 4.491 -8.906 66 H GLY 10 H GLY 10 -6.734 3.325 -7.553 67 HA2 GLY 10 HA2 GLY 10 -6.508 2.192 -5.051 68 HA3 GLY 10 HA3 GLY 10 -6.680 1.268 -6.535 69 H ALA 11 H ALA 11 -4.486 1.217 -7.826 70 HA ALA 11 HA ALA 11 -2.690 -0.311 -6.442 71 HB1 ALA 11 HB1 ALA 11 -1.156 -0.009 -8.312 72 HB2 ALA 11 HB2 ALA 11 -2.095 1.377 -8.868 73 HB3 ALA 11 HB3 ALA 11 -2.812 -0.236 -8.876 74 H ARG 12 H ARG 12 -2.866 3.155 -6.492 75 HA ARG 12 HA ARG 12 -0.122 3.616 -5.700 76 HB2 ARG 12 HB2 ARG 12 -0.940 5.469 -6.797 77 HB3 ARG 12 HB3 ARG 12 -2.548 5.304 -6.124 78 HG2 ARG 12 HG2 ARG 12 -1.751 6.136 -3.985 79 HG3 ARG 12 HG3 ARG 12 -0.112 6.252 -4.627 80 HD2 ARG 12 HD2 ARG 12 -0.822 7.918 -6.231 81 HD3 ARG 12 HD3 ARG 12 -2.498 7.746 -5.707 82 HE ARG 12 HE ARG 12 -1.176 8.430 -3.435 83 HH11 ARG 12 HH11 ARG 12 -1.379 9.824 -6.622 84 HH12 ARG 12 HH12 ARG 12 -1.161 11.449 -6.065 85 HH21 ARG 12 HH21 ARG 12 -0.889 10.565 -2.694 86 HH22 ARG 12 HH22 ARG 12 -0.881 11.870 -3.832 87 H VAL 13 H VAL 13 -3.315 3.819 -4.201 88 HA VAL 13 HA VAL 13 -2.438 4.622 -1.661 89 HB VAL 13 HB VAL 13 -4.946 3.151 -2.476 90 HG11 VAL 13 HG11 VAL 13 -4.263 4.510 0.127 91 HG12 VAL 13 HG12 VAL 13 -4.558 2.789 -0.123 92 HG13 VAL 13 HG13 VAL 13 -5.871 3.948 -0.330 93 HG21 VAL 13 HG21 VAL 13 -4.461 6.072 -1.905 94 HG22 VAL 13 HG22 VAL 13 -6.002 5.341 -2.351 95 HG23 VAL 13 HG23 VAL 13 -4.667 5.359 -3.504 96 H ILE 14 H ILE 14 -2.904 1.410 -3.096 97 HA ILE 14 HA ILE 14 -2.486 0.027 -0.711 98 HB ILE 14 HB ILE 14 -2.233 -1.978 -2.030 99 HG12 ILE 14 HG12 ILE 14 -2.142 -0.166 -4.447 100 HG13 ILE 14 HG13 ILE 14 -0.780 -1.082 -3.812 101 HG21 ILE 14 HG21 ILE 14 -4.332 -1.875 -3.303 102 HG22 ILE 14 HG22 ILE 14 -4.328 -0.120 -3.121 103 HG23 ILE 14 HG23 ILE 14 -4.467 -1.153 -1.700 104 HD11 ILE 14 HD11 ILE 14 -1.914 -3.161 -4.319 105 HD12 ILE 14 HD12 ILE 14 -1.783 -2.153 -5.760 106 HD13 ILE 14 HD13 ILE 14 -3.319 -2.269 -4.902 107 H LEU 15 H LEU 15 -0.103 0.196 -3.419 108 HA LEU 15 HA LEU 15 1.953 -0.787 -2.051 109 HB2 LEU 15 HB2 LEU 15 2.264 1.491 -3.999 110 HB3 LEU 15 HB3 LEU 15 3.481 0.309 -3.577 111 HG LEU 15 HG LEU 15 0.887 -0.591 -4.768 112 HD11 LEU 15 HD11 LEU 15 1.682 1.146 -6.262 113 HD12 LEU 15 HD12 LEU 15 1.905 -0.444 -6.990 114 HD13 LEU 15 HD13 LEU 15 3.283 0.409 -6.296 115 HD21 LEU 15 HD21 LEU 15 2.403 -2.256 -3.826 116 HD22 LEU 15 HD22 LEU 15 3.705 -1.661 -4.856 117 HD23 LEU 15 HD23 LEU 15 2.286 -2.421 -5.577 118 H LEU 16 H LEU 16 0.697 2.414 -1.553 119 HA LEU 16 HA LEU 16 3.097 3.462 -0.313 120 HB2 LEU 16 HB2 LEU 16 1.642 4.966 -1.536 121 HB3 LEU 16 HB3 LEU 16 0.275 4.492 -0.548 122 HG LEU 16 HG LEU 16 1.450 5.426 1.424 123 HD11 LEU 16 HD11 LEU 16 3.334 6.523 -0.657 124 HD12 LEU 16 HD12 LEU 16 3.728 5.302 0.554 125 HD13 LEU 16 HD13 LEU 16 3.325 6.945 1.056 126 HD21 LEU 16 HD21 LEU 16 -0.277 6.680 0.312 127 HD22 LEU 16 HD22 LEU 16 0.879 7.282 -0.874 128 HD23 LEU 16 HD23 LEU 16 1.010 7.776 0.816 129 H VAL 17 H VAL 17 -0.114 2.303 0.553 130 HA VAL 17 HA VAL 17 0.105 2.778 3.337 131 HB VAL 17 HB VAL 17 -1.990 2.418 1.945 132 HG11 VAL 17 HG11 VAL 17 -1.242 -0.448 2.393 133 HG12 VAL 17 HG12 VAL 17 -1.487 0.377 0.852 134 HG13 VAL 17 HG13 VAL 17 -2.852 0.101 1.932 135 HG21 VAL 17 HG21 VAL 17 -1.694 0.966 4.564 136 HG22 VAL 17 HG22 VAL 17 -3.226 1.454 3.841 137 HG23 VAL 17 HG23 VAL 17 -2.063 2.678 4.351 138 H LEU 18 H LEU 18 0.559 -0.171 1.355 139 HA LEU 18 HA LEU 18 1.433 -1.805 3.376 140 HB2 LEU 18 HB2 LEU 18 1.938 -1.715 0.429 141 HB3 LEU 18 HB3 LEU 18 2.864 -2.846 1.399 142 HG LEU 18 HG LEU 18 0.841 -3.778 0.294 143 HD11 LEU 18 HD11 LEU 18 1.900 -4.882 2.184 144 HD12 LEU 18 HD12 LEU 18 0.148 -5.084 2.244 145 HD13 LEU 18 HD13 LEU 18 0.938 -3.914 3.300 146 HD21 LEU 18 HD21 LEU 18 -0.604 -2.099 2.326 147 HD22 LEU 18 HD22 LEU 18 -1.331 -3.379 1.354 148 HD23 LEU 18 HD23 LEU 18 -0.690 -1.937 0.573 149 H TYR 19 H TYR 19 3.028 0.795 1.806 150 HA TYR 19 HA TYR 19 5.738 0.055 2.135 151 HB2 TYR 19 HB2 TYR 19 5.105 1.885 0.676 152 HB3 TYR 19 HB3 TYR 19 4.468 2.789 2.041 153 HD1 TYR 19 HD1 TYR 19 7.587 1.486 0.528 154 HD2 TYR 19 HD2 TYR 19 5.870 4.135 3.381 155 HE1 TYR 19 HE1 TYR 19 9.781 2.549 0.854 156 HE2 TYR 19 HE2 TYR 19 8.059 5.206 3.714 157 HH TYR 19 HH TYR 19 10.692 4.694 1.639 158 H ARG 20 H ARG 20 3.997 2.512 4.104 159 HA ARG 20 HA ARG 20 5.800 2.562 6.122 160 HB2 ARG 20 HB2 ARG 20 3.881 3.277 7.614 161 HB3 ARG 20 HB3 ARG 20 4.095 4.187 6.126 162 HG2 ARG 20 HG2 ARG 20 2.325 2.641 5.133 163 HG3 ARG 20 HG3 ARG 20 1.984 2.171 6.801 164 HD2 ARG 20 HD2 ARG 20 1.598 4.527 7.368 165 HD3 ARG 20 HD3 ARG 20 1.903 4.970 5.691 166 HE ARG 20 HE ARG 20 -0.183 3.031 5.953 167 HH11 ARG 20 HH11 ARG 20 0.556 6.431 6.135 168 HH12 ARG 20 HH12 ARG 20 -1.064 6.934 5.784 169 HH21 ARG 20 HH21 ARG 20 -2.320 3.685 5.492 170 HH22 ARG 20 HH22 ARG 20 -2.698 5.374 5.418 171 H GLU 21 H GLU 21 2.806 0.640 6.449 172 HA GLU 21 HA GLU 21 3.487 -0.811 8.500 173 HB2 GLU 21 HB2 GLU 21 1.351 -1.058 7.276 174 HB3 GLU 21 HB3 GLU 21 2.168 -2.070 6.093 175 HG2 GLU 21 HG2 GLU 21 2.168 -2.761 9.005 176 HG3 GLU 21 HG3 GLU 21 0.835 -3.214 7.947 177 H HIS 22 H HIS 22 5.097 -1.082 5.486 178 HA HIS 22 HA HIS 22 6.138 -3.766 5.960 179 HB2 HIS 22 HB2 HIS 22 5.795 -3.303 3.661 180 HB3 HIS 22 HB3 HIS 22 6.593 -1.740 3.774 181 HD1 HIS 22 HD1 HIS 22 7.223 -5.314 3.149 182 HD2 HIS 22 HD2 HIS 22 9.455 -1.904 3.956 183 HE1 HIS 22 HE1 HIS 22 9.590 -5.900 2.537 184 HE2 HIS 22 HE2 HIS 22 10.907 -3.792 2.947 185 H LEU 23 H LEU 23 7.257 -0.394 5.911 186 HA LEU 23 HA LEU 23 9.860 -0.854 6.675 187 HB2 LEU 23 HB2 LEU 23 8.016 1.471 7.028 188 HB3 LEU 23 HB3 LEU 23 9.598 1.507 7.781 189 HG LEU 23 HG LEU 23 10.553 1.031 5.480 190 HD11 LEU 23 HD11 LEU 23 7.804 1.893 4.603 191 HD12 LEU 23 HD12 LEU 23 8.455 0.260 4.456 192 HD13 LEU 23 HD13 LEU 23 9.196 1.587 3.563 193 HD21 LEU 23 HD21 LEU 23 10.421 3.379 4.807 194 HD22 LEU 23 HD22 LEU 23 10.684 3.217 6.545 195 HD23 LEU 23 HD23 LEU 23 9.082 3.622 5.929 196 H ASN 24 H ASN 24 7.243 -1.739 8.424 197 HA ASN 24 HA ASN 24 7.828 -0.881 11.064 198 HB2 ASN 24 HB2 ASN 24 6.147 -3.045 9.863 199 HB3 ASN 24 HB3 ASN 24 6.517 -3.104 11.586 200 HD21 ASN 24 HD21 ASN 24 5.683 -1.558 12.953 201 HD22 ASN 24 HD22 ASN 24 4.424 -0.480 12.476 202 HA PRO 25 HA PRO 25 11.646 -3.289 11.389 203 HB2 PRO 25 HB2 PRO 25 11.408 -2.293 14.174 204 HB3 PRO 25 HB3 PRO 25 12.774 -2.210 13.060 205 HG2 PRO 25 HG2 PRO 25 11.322 -0.043 13.604 206 HG3 PRO 25 HG3 PRO 25 11.940 -0.342 11.968 207 HD2 PRO 25 HD2 PRO 25 9.177 -0.718 13.049 208 HD3 PRO 25 HD3 PRO 25 9.697 -0.125 11.461 209 H ASN 26 H ASN 26 8.800 -3.455 13.431 210 HA ASN 26 HA ASN 26 9.583 -6.148 14.189 211 HB2 ASN 26 HB2 ASN 26 10.007 -4.702 16.163 212 HB3 ASN 26 HB3 ASN 26 8.314 -4.221 16.144 213 HD21 ASN 26 HD21 ASN 26 10.553 -6.820 16.739 214 HD22 ASN 26 HD22 ASN 26 9.461 -7.825 17.624 215 H GLY 27 H GLY 27 7.558 -4.327 12.535 216 HA2 GLY 27 HA2 GLY 27 5.006 -5.232 13.284 217 HA3 GLY 27 HA3 GLY 27 5.433 -4.593 11.704 218 H HIS 28 H HIS 28 4.756 -5.948 10.192 219 HA HIS 28 HA HIS 28 5.477 -8.783 10.449 220 HB2 HIS 28 HB2 HIS 28 2.785 -7.731 9.553 221 HB3 HIS 28 HB3 HIS 28 3.285 -9.416 9.486 222 HD1 HIS 28 HD1 HIS 28 3.142 -10.771 11.627 223 HD2 HIS 28 HD2 HIS 28 2.313 -6.737 12.184 224 HE1 HIS 28 HE1 HIS 28 2.225 -10.589 13.961 225 HE2 HIS 28 HE2 HIS 28 1.652 -8.152 14.246 226 H HIS 29 H HIS 29 5.379 -5.956 8.623 227 HA HIS 29 HA HIS 29 6.166 -5.424 6.558 228 HB2 HIS 29 HB2 HIS 29 6.963 -8.337 6.367 229 HB3 HIS 29 HB3 HIS 29 7.512 -7.042 5.309 230 HD1 HIS 29 HD1 HIS 29 8.093 -8.571 8.640 231 HD2 HIS 29 HD2 HIS 29 9.402 -5.277 6.470 232 HE1 HIS 29 HE1 HIS 29 10.125 -7.728 9.858 233 HE2 HIS 29 HE2 HIS 29 10.957 -5.796 8.471 234 H PHE 30 H PHE 30 3.457 -6.658 7.119 235 HA PHE 30 HA PHE 30 2.510 -6.642 4.450 236 HB2 PHE 30 HB2 PHE 30 1.580 -8.901 4.310 237 HB3 PHE 30 HB3 PHE 30 3.330 -8.953 4.430 238 HD1 PHE 30 HD1 PHE 30 0.265 -9.198 6.534 239 HD2 PHE 30 HD2 PHE 30 4.322 -10.355 5.974 240 HE1 PHE 30 HE1 PHE 30 0.073 -10.763 8.421 241 HE2 PHE 30 HE2 PHE 30 4.137 -11.921 7.862 242 HZ PHE 30 HZ PHE 30 2.009 -12.127 9.087 243 H LEU 31 H LEU 31 0.100 -7.225 4.368 244 HA LEU 31 HA LEU 31 -1.305 -6.995 6.908 245 HB2 LEU 31 HB2 LEU 31 -1.294 -4.940 4.725 246 HB3 LEU 31 HB3 LEU 31 -2.677 -5.122 5.778 247 HG LEU 31 HG LEU 31 0.121 -4.463 6.685 248 HD11 LEU 31 HD11 LEU 31 -2.331 -2.724 6.450 249 HD12 LEU 31 HD12 LEU 31 -0.887 -2.633 5.439 250 HD13 LEU 31 HD13 LEU 31 -0.787 -2.242 7.156 251 HD21 LEU 31 HD21 LEU 31 -0.928 -4.024 8.852 252 HD22 LEU 31 HD22 LEU 31 -1.133 -5.706 8.365 253 HD23 LEU 31 HD23 LEU 31 -2.476 -4.574 8.213 254 H THR 32 H THR 32 -3.628 -7.287 6.687 255 HA THR 32 HA THR 32 -4.263 -9.071 4.442 256 HB THR 32 HB THR 32 -6.191 -9.808 5.836 257 HG1 THR 32 HG1 THR 32 -6.660 -8.737 7.595 258 HG21 THR 32 HG21 THR 32 -3.484 -10.021 7.162 259 HG22 THR 32 HG22 THR 32 -4.108 -11.072 5.890 260 HG23 THR 32 HG23 THR 32 -4.866 -11.069 7.481 261 H LYS 33 H LYS 33 -6.118 -8.682 3.160 262 HA LYS 33 HA LYS 33 -6.972 -6.346 2.526 263 HB2 LYS 33 HB2 LYS 33 -7.925 -8.867 2.010 264 HB3 LYS 33 HB3 LYS 33 -9.337 -8.063 2.674 265 HG2 LYS 33 HG2 LYS 33 -7.702 -7.062 0.351 266 HG3 LYS 33 HG3 LYS 33 -9.243 -7.912 0.232 267 HD2 LYS 33 HD2 LYS 33 -10.335 -6.110 1.476 268 HD3 LYS 33 HD3 LYS 33 -8.792 -5.263 1.608 269 HE2 LYS 33 HE2 LYS 33 -8.687 -5.057 -0.821 270 HE3 LYS 33 HE3 LYS 33 -10.207 -5.940 -0.971 271 HZ1 LYS 33 HZ1 LYS 33 -10.560 -3.565 -1.145 272 HZ2 LYS 33 HZ2 LYS 33 -9.848 -3.312 0.369 273 HZ3 LYS 33 HZ3 LYS 33 -11.307 -4.160 0.251 274 H GLU 34 H GLU 34 -7.936 -7.816 5.505 275 HA GLU 34 HA GLU 34 -10.098 -5.979 6.012 276 HB2 GLU 34 HB2 GLU 34 -8.663 -7.897 7.858 277 HB3 GLU 34 HB3 GLU 34 -10.123 -7.007 8.258 278 HG2 GLU 34 HG2 GLU 34 -9.854 -9.073 6.088 279 HG3 GLU 34 HG3 GLU 34 -10.622 -9.306 7.658 280 H GLU 35 H GLU 35 -6.691 -6.243 6.898 281 HA GLU 35 HA GLU 35 -6.862 -4.105 8.872 282 HB2 GLU 35 HB2 GLU 35 -4.484 -5.597 7.748 283 HB3 GLU 35 HB3 GLU 35 -4.403 -4.381 9.014 284 HG2 GLU 35 HG2 GLU 35 -5.872 -7.003 9.188 285 HG3 GLU 35 HG3 GLU 35 -4.306 -6.644 9.916 286 H LEU 36 H LEU 36 -6.325 -4.600 5.540 287 HA LEU 36 HA LEU 36 -4.673 -2.349 4.953 288 HB2 LEU 36 HB2 LEU 36 -6.490 -4.068 3.280 289 HB3 LEU 36 HB3 LEU 36 -5.517 -2.768 2.629 290 HG LEU 36 HG LEU 36 -4.352 -5.087 4.122 291 HD11 LEU 36 HD11 LEU 36 -5.009 -4.798 1.228 292 HD12 LEU 36 HD12 LEU 36 -5.215 -6.189 2.291 293 HD13 LEU 36 HD13 LEU 36 -3.606 -5.738 1.730 294 HD21 LEU 36 HD21 LEU 36 -2.273 -4.372 3.047 295 HD22 LEU 36 HD22 LEU 36 -2.959 -3.106 4.065 296 HD23 LEU 36 HD23 LEU 36 -3.131 -3.018 2.313 297 H LEU 37 H LEU 37 -8.132 -3.008 4.652 298 HA LEU 37 HA LEU 37 -9.008 -0.643 3.535 299 HB2 LEU 37 HB2 LEU 37 -10.319 -2.435 5.576 300 HB3 LEU 37 HB3 LEU 37 -11.152 -1.107 4.796 301 HG LEU 37 HG LEU 37 -9.956 -3.470 3.348 302 HD11 LEU 37 HD11 LEU 37 -12.830 -2.852 4.017 303 HD12 LEU 37 HD12 LEU 37 -11.851 -4.131 4.736 304 HD13 LEU 37 HD13 LEU 37 -12.263 -4.193 3.022 305 HD21 LEU 37 HD21 LEU 37 -10.022 -1.458 1.983 306 HD22 LEU 37 HD22 LEU 37 -11.721 -1.220 2.388 307 HD23 LEU 37 HD23 LEU 37 -11.231 -2.619 1.434 308 H GLN 38 H GLN 38 -8.394 -1.362 6.964 309 HA GLN 38 HA GLN 38 -9.225 1.238 7.848 310 HB2 GLN 38 HB2 GLN 38 -7.577 -0.874 9.255 311 HB3 GLN 38 HB3 GLN 38 -8.264 0.555 10.015 312 HG2 GLN 38 HG2 GLN 38 -10.510 -0.246 9.505 313 HG3 GLN 38 HG3 GLN 38 -9.826 -1.673 8.726 314 HE21 GLN 38 HE21 GLN 38 -10.429 -0.058 11.742 315 HE22 GLN 38 HE22 GLN 38 -10.105 -1.413 12.766 316 H ARG 39 H ARG 39 -6.129 -0.353 7.241 317 HA ARG 39 HA ARG 39 -4.398 1.587 7.943 318 HB2 ARG 39 HB2 ARG 39 -4.122 -0.802 6.856 319 HB3 ARG 39 HB3 ARG 39 -3.884 0.141 5.391 320 HG2 ARG 39 HG2 ARG 39 -1.744 -0.199 6.208 321 HG3 ARG 39 HG3 ARG 39 -2.151 1.440 6.719 322 HD2 ARG 39 HD2 ARG 39 -2.488 -0.993 8.459 323 HD3 ARG 39 HD3 ARG 39 -1.055 0.024 8.472 324 HE ARG 39 HE ARG 39 -3.147 1.742 8.884 325 HH11 ARG 39 HH11 ARG 39 -1.912 -1.108 10.463 326 HH12 ARG 39 HH12 ARG 39 -2.450 -0.625 12.037 327 HH21 ARG 39 HH21 ARG 39 -3.858 2.385 10.953 328 HH22 ARG 39 HH22 ARG 39 -3.556 1.359 12.315 329 H CYS 40 H CYS 40 -5.861 1.262 4.741 330 HA CYS 40 HA CYS 40 -4.569 3.438 3.485 331 HB2 CYS 40 HB2 CYS 40 -6.267 3.259 1.783 332 HB3 CYS 40 HB3 CYS 40 -5.813 1.637 2.286 333 HG CYS 40 HG CYS 40 -8.778 3.038 2.240 334 H ALA 41 H ALA 41 -7.375 3.204 5.565 335 HA ALA 41 HA ALA 41 -8.539 5.676 5.108 336 HB1 ALA 41 HB1 ALA 41 -9.550 3.905 6.476 337 HB2 ALA 41 HB2 ALA 41 -9.553 5.466 7.297 338 HB3 ALA 41 HB3 ALA 41 -8.376 4.235 7.750 339 H GLN 42 H GLN 42 -5.402 5.544 5.722 340 HA GLN 42 HA GLN 42 -5.396 7.650 7.741 341 HB2 GLN 42 HB2 GLN 42 -3.351 5.496 7.249 342 HB3 GLN 42 HB3 GLN 42 -2.885 7.041 7.947 343 HG2 GLN 42 HG2 GLN 42 -3.230 5.463 9.708 344 HG3 GLN 42 HG3 GLN 42 -4.514 6.669 9.765 345 HE21 GLN 42 HE21 GLN 42 -3.709 3.362 9.132 346 HE22 GLN 42 HE22 GLN 42 -5.327 2.760 9.079 347 H LYS 43 H LYS 43 -4.582 6.438 4.632 348 HA LYS 43 HA LYS 43 -2.747 8.144 3.601 349 HB2 LYS 43 HB2 LYS 43 -3.886 6.298 2.383 350 HB3 LYS 43 HB3 LYS 43 -5.290 7.340 2.188 351 HG2 LYS 43 HG2 LYS 43 -4.380 8.419 0.473 352 HG3 LYS 43 HG3 LYS 43 -2.825 8.588 1.291 353 HD2 LYS 43 HD2 LYS 43 -2.332 6.233 0.738 354 HD3 LYS 43 HD3 LYS 43 -3.838 6.164 -0.181 355 HE2 LYS 43 HE2 LYS 43 -1.497 7.979 -0.733 356 HE3 LYS 43 HE3 LYS 43 -1.939 6.542 -1.653 357 HZ1 LYS 43 HZ1 LYS 43 -3.592 8.995 -1.368 358 HZ2 LYS 43 HZ2 LYS 43 -4.027 7.616 -2.246 359 HZ3 LYS 43 HZ3 LYS 43 -2.708 8.552 -2.741 360 H SER 44 H SER 44 -6.076 8.830 4.367 361 HA SER 44 HA SER 44 -5.589 11.669 4.233 362 HB2 SER 44 HB2 SER 44 -6.215 11.205 1.912 363 HB3 SER 44 HB3 SER 44 -7.674 10.379 2.454 364 HG SER 44 HG SER 44 -7.530 12.858 1.849 365 HA PRO 45 HA PRO 45 -8.094 11.281 7.913 366 HB2 PRO 45 HB2 PRO 45 -8.764 14.104 7.198 367 HB3 PRO 45 HB3 PRO 45 -8.249 13.428 8.748 368 HG2 PRO 45 HG2 PRO 45 -6.539 14.794 7.237 369 HG3 PRO 45 HG3 PRO 45 -6.015 13.351 8.125 370 HD2 PRO 45 HD2 PRO 45 -6.557 13.695 5.214 371 HD3 PRO 45 HD3 PRO 45 -5.365 12.662 6.029 372 H ARG 46 H ARG 46 -9.630 13.497 5.571 373 HA ARG 46 HA ARG 46 -12.084 11.933 5.829 374 HB2 ARG 46 HB2 ARG 46 -11.627 14.713 4.729 375 HB3 ARG 46 HB3 ARG 46 -13.194 13.931 4.888 376 HG2 ARG 46 HG2 ARG 46 -12.912 13.846 7.312 377 HG3 ARG 46 HG3 ARG 46 -11.338 14.630 7.153 378 HD2 ARG 46 HD2 ARG 46 -12.410 16.594 6.173 379 HD3 ARG 46 HD3 ARG 46 -13.983 15.809 6.308 380 HE ARG 46 HE ARG 46 -12.785 15.870 8.842 381 HH11 ARG 46 HH11 ARG 46 -14.149 18.042 6.483 382 HH12 ARG 46 HH12 ARG 46 -14.650 19.211 7.658 383 HH21 ARG 46 HH21 ARG 46 -13.442 17.404 10.397 384 HH22 ARG 46 HH22 ARG 46 -14.248 18.848 9.884 385 H VAL 47 H VAL 47 -11.794 10.259 4.393 386 HA VAL 47 HA VAL 47 -11.021 10.810 1.651 387 HB VAL 47 HB VAL 47 -11.253 8.373 1.314 388 HG11 VAL 47 HG11 VAL 47 -9.392 7.697 2.760 389 HG12 VAL 47 HG12 VAL 47 -9.632 9.142 3.741 390 HG13 VAL 47 HG13 VAL 47 -9.121 9.294 2.060 391 HG21 VAL 47 HG21 VAL 47 -13.073 7.945 2.871 392 HG22 VAL 47 HG22 VAL 47 -12.024 8.343 4.231 393 HG23 VAL 47 HG23 VAL 47 -11.688 6.920 3.244 394 H ALA 48 H ALA 48 -13.843 10.979 3.383 395 HA ALA 48 HA ALA 48 -15.961 11.508 2.719 396 HB1 ALA 48 HB1 ALA 48 -15.013 12.651 0.765 397 HB2 ALA 48 HB2 ALA 48 -16.527 11.830 0.382 398 HB3 ALA 48 HB3 ALA 48 -14.990 11.119 -0.109 399 HA PRO 49 HA PRO 49 -17.216 7.199 2.980 400 HB2 PRO 49 HB2 PRO 49 -19.899 8.490 2.911 401 HB3 PRO 49 HB3 PRO 49 -19.249 7.303 4.047 402 HG2 PRO 49 HG2 PRO 49 -19.502 9.856 4.753 403 HG3 PRO 49 HG3 PRO 49 -18.095 8.904 5.266 404 HD2 PRO 49 HD2 PRO 49 -18.306 10.976 3.124 405 HD3 PRO 49 HD3 PRO 49 -16.971 10.643 4.246 406 H GLY 50 H GLY 50 -18.283 5.687 1.638 407 HA2 GLY 50 HA2 GLY 50 -19.276 4.909 -0.299 408 HA3 GLY 50 HA3 GLY 50 -19.551 6.575 -0.786 409 H SER 51 H SER 51 -16.829 7.430 -0.613 410 HA SER 51 HA SER 51 -15.907 6.496 -3.159 411 HB2 SER 51 HB2 SER 51 -14.620 8.387 -1.174 412 HB3 SER 51 HB3 SER 51 -14.067 8.117 -2.827 413 HG SER 51 HG SER 51 -15.363 9.889 -2.909 414 H ALA 52 H ALA 52 -15.005 4.543 -3.298 415 HA ALA 52 HA ALA 52 -12.690 3.970 -1.615 416 HB1 ALA 52 HB1 ALA 52 -13.445 1.710 -1.114 417 HB2 ALA 52 HB2 ALA 52 -14.964 2.020 -1.952 418 HB3 ALA 52 HB3 ALA 52 -14.575 2.904 -0.476 419 HA PRO 53 HA PRO 53 -11.520 3.207 -5.966 420 HB2 PRO 53 HB2 PRO 53 -8.944 2.735 -4.548 421 HB3 PRO 53 HB3 PRO 53 -9.275 3.705 -5.987 422 HG2 PRO 53 HG2 PRO 53 -8.836 4.876 -3.639 423 HG3 PRO 53 HG3 PRO 53 -10.061 5.506 -4.755 424 HD2 PRO 53 HD2 PRO 53 -10.413 3.905 -2.258 425 HD3 PRO 53 HD3 PRO 53 -11.410 5.226 -2.903 426 HA PRO 54 HA PRO 54 -11.705 -1.217 -5.969 427 HB2 PRO 54 HB2 PRO 54 -9.980 -1.180 -8.362 428 HB3 PRO 54 HB3 PRO 54 -11.634 -1.768 -8.179 429 HG2 PRO 54 HG2 PRO 54 -11.090 0.486 -9.522 430 HG3 PRO 54 HG3 PRO 54 -12.559 0.315 -8.542 431 HD2 PRO 54 HD2 PRO 54 -10.008 1.747 -7.904 432 HD3 PRO 54 HD3 PRO 54 -11.685 2.232 -7.581 433 H TRP 55 H TRP 55 -10.551 -2.271 -4.464 434 HA TRP 55 HA TRP 55 -7.668 -2.111 -4.465 435 HB2 TRP 55 HB2 TRP 55 -9.729 -2.987 -2.537 436 HB3 TRP 55 HB3 TRP 55 -8.164 -3.793 -2.429 437 HD1 TRP 55 HD1 TRP 55 -9.300 -0.100 -2.827 438 HE1 TRP 55 HE1 TRP 55 -7.856 1.348 -1.266 439 HE3 TRP 55 HE3 TRP 55 -6.375 -3.772 -0.763 440 HZ2 TRP 55 HZ2 TRP 55 -5.758 0.981 0.579 441 HZ3 TRP 55 HZ3 TRP 55 -4.691 -3.119 0.886 442 HH2 TRP 55 HH2 TRP 55 -4.398 -0.804 1.556 443 HA PRO 56 HA PRO 56 -8.717 -6.932 -5.386 444 HB2 PRO 56 HB2 PRO 56 -10.101 -6.052 -7.887 445 HB3 PRO 56 HB3 PRO 56 -10.349 -7.512 -6.921 446 HG2 PRO 56 HG2 PRO 56 -12.057 -5.484 -6.753 447 HG3 PRO 56 HG3 PRO 56 -11.585 -6.394 -5.306 448 HD2 PRO 56 HD2 PRO 56 -10.762 -3.672 -6.187 449 HD3 PRO 56 HD3 PRO 56 -10.977 -4.313 -4.547 450 H ALA 57 H ALA 57 -7.803 -4.094 -7.106 451 HA ALA 57 HA ALA 57 -6.394 -5.052 -9.253 452 HB1 ALA 57 HB1 ALA 57 -6.759 -2.674 -8.805 453 HB2 ALA 57 HB2 ALA 57 -5.062 -3.017 -9.141 454 HB3 ALA 57 HB3 ALA 57 -5.595 -2.745 -7.482 455 H LEU 58 H LEU 58 -5.733 -5.612 -5.965 456 HA LEU 58 HA LEU 58 -2.965 -5.723 -5.797 457 HB2 LEU 58 HB2 LEU 58 -5.218 -7.034 -4.420 458 HB3 LEU 58 HB3 LEU 58 -3.692 -7.891 -4.328 459 HG LEU 58 HG LEU 58 -4.006 -6.458 -2.385 460 HD11 LEU 58 HD11 LEU 58 -1.855 -5.414 -4.220 461 HD12 LEU 58 HD12 LEU 58 -1.737 -6.854 -3.210 462 HD13 LEU 58 HD13 LEU 58 -1.890 -5.264 -2.463 463 HD21 LEU 58 HD21 LEU 58 -3.996 -4.006 -2.641 464 HD22 LEU 58 HD22 LEU 58 -5.432 -4.757 -3.337 465 HD23 LEU 58 HD23 LEU 58 -4.126 -4.208 -4.389 466 H ARG 59 H ARG 59 -5.215 -8.281 -6.826 467 HA ARG 59 HA ARG 59 -3.378 -10.260 -7.411 468 HB2 ARG 59 HB2 ARG 59 -5.940 -9.614 -8.883 469 HB3 ARG 59 HB3 ARG 59 -5.062 -11.133 -9.002 470 HG2 ARG 59 HG2 ARG 59 -5.450 -11.551 -6.631 471 HG3 ARG 59 HG3 ARG 59 -6.318 -10.019 -6.502 472 HD2 ARG 59 HD2 ARG 59 -7.968 -10.826 -8.124 473 HD3 ARG 59 HD3 ARG 59 -7.102 -12.358 -8.239 474 HE ARG 59 HE ARG 59 -7.723 -11.922 -5.554 475 HH11 ARG 59 HH11 ARG 59 -9.361 -12.526 -8.570 476 HH12 ARG 59 HH12 ARG 59 -10.709 -13.321 -7.828 477 HH21 ARG 59 HH21 ARG 59 -9.495 -12.966 -4.568 478 HH22 ARG 59 HH22 ARG 59 -10.785 -13.571 -5.553 479 H SER 60 H SER 60 -4.480 -7.594 -9.451 480 HA SER 60 HA SER 60 -2.933 -8.235 -11.661 481 HB2 SER 60 HB2 SER 60 -3.900 -5.505 -10.776 482 HB3 SER 60 HB3 SER 60 -3.333 -5.910 -12.396 483 HG SER 60 HG SER 60 -5.281 -6.555 -12.786 484 H LEU 61 H LEU 61 -2.112 -6.338 -8.806 485 HA LEU 61 HA LEU 61 0.345 -5.361 -9.891 486 HB2 LEU 61 HB2 LEU 61 -0.933 -5.303 -7.193 487 HB3 LEU 61 HB3 LEU 61 0.781 -4.946 -7.333 488 HG LEU 61 HG LEU 61 -0.139 -3.311 -9.243 489 HD11 LEU 61 HD11 LEU 61 -2.464 -3.914 -8.947 490 HD12 LEU 61 HD12 LEU 61 -2.200 -2.237 -8.469 491 HD13 LEU 61 HD13 LEU 61 -2.379 -3.488 -7.238 492 HD21 LEU 61 HD21 LEU 61 1.289 -2.666 -7.402 493 HD22 LEU 61 HD22 LEU 61 -0.077 -2.732 -6.288 494 HD23 LEU 61 HD23 LEU 61 -0.041 -1.520 -7.569 495 H LEU 62 H LEU 62 -0.562 -8.158 -7.950 496 HA LEU 62 HA LEU 62 1.989 -8.937 -7.034 497 HB2 LEU 62 HB2 LEU 62 -0.321 -10.684 -7.886 498 HB3 LEU 62 HB3 LEU 62 1.033 -11.189 -6.901 499 HG LEU 62 HG LEU 62 -0.795 -8.996 -5.974 500 HD11 LEU 62 HD11 LEU 62 -2.206 -10.586 -4.895 501 HD12 LEU 62 HD12 LEU 62 -1.185 -11.927 -5.411 502 HD13 LEU 62 HD13 LEU 62 -2.123 -11.025 -6.601 503 HD21 LEU 62 HD21 LEU 62 1.362 -9.383 -4.818 504 HD22 LEU 62 HD22 LEU 62 0.848 -11.034 -4.478 505 HD23 LEU 62 HD23 LEU 62 -0.037 -9.677 -3.786 506 H HIS 63 H HIS 63 0.214 -9.415 -10.011 507 HA HIS 63 HA HIS 63 1.973 -11.134 -11.310 508 HB2 HIS 63 HB2 HIS 63 -0.318 -10.660 -12.071 509 HB3 HIS 63 HB3 HIS 63 0.161 -9.024 -12.501 510 HD1 HIS 63 HD1 HIS 63 0.272 -12.536 -13.695 511 HD2 HIS 63 HD2 HIS 63 1.765 -8.830 -14.838 512 HE1 HIS 63 HE1 HIS 63 1.077 -12.836 -16.058 513 HE2 HIS 63 HE2 HIS 63 2.063 -10.606 -16.694 514 H ARG 64 H ARG 64 1.888 -7.585 -11.194 515 HA ARG 64 HA ARG 64 4.129 -7.295 -12.891 516 HB2 ARG 64 HB2 ARG 64 2.975 -5.312 -10.922 517 HB3 ARG 64 HB3 ARG 64 4.040 -4.939 -12.270 518 HG2 ARG 64 HG2 ARG 64 2.250 -5.894 -13.779 519 HG3 ARG 64 HG3 ARG 64 1.193 -5.886 -12.367 520 HD2 ARG 64 HD2 ARG 64 0.814 -3.874 -13.614 521 HD3 ARG 64 HD3 ARG 64 1.644 -3.457 -12.115 522 HE ARG 64 HE ARG 64 3.102 -3.736 -14.659 523 HH11 ARG 64 HH11 ARG 64 2.259 -1.930 -11.805 524 HH12 ARG 64 HH12 ARG 64 3.404 -0.668 -12.108 525 HH21 ARG 64 HH21 ARG 64 4.609 -2.076 -15.072 526 HH22 ARG 64 HH22 ARG 64 4.737 -0.748 -13.969 527 H ASN 65 H ASN 65 3.905 -8.374 -9.767 528 HA ASN 65 HA ASN 65 5.501 -9.019 -8.281 529 HB2 ASN 65 HB2 ASN 65 7.473 -7.866 -10.262 530 HB3 ASN 65 HB3 ASN 65 7.894 -8.820 -8.842 531 HD21 ASN 65 HD21 ASN 65 5.547 -10.553 -9.172 532 HD22 ASN 65 HD22 ASN 65 5.933 -11.616 -10.479 533 H LEU 66 H LEU 66 4.241 -6.292 -8.410 534 HA LEU 66 HA LEU 66 6.249 -4.650 -7.071 535 HB2 LEU 66 HB2 LEU 66 3.352 -3.948 -7.390 536 HB3 LEU 66 HB3 LEU 66 4.704 -2.868 -7.150 537 HG LEU 66 HG LEU 66 3.799 -4.217 -9.663 538 HD11 LEU 66 HD11 LEU 66 4.133 -1.955 -10.551 539 HD12 LEU 66 HD12 LEU 66 4.674 -1.424 -8.959 540 HD13 LEU 66 HD13 LEU 66 3.014 -1.977 -9.188 541 HD21 LEU 66 HD21 LEU 66 5.905 -3.601 -10.745 542 HD22 LEU 66 HD22 LEU 66 6.162 -4.808 -9.484 543 HD23 LEU 66 HD23 LEU 66 6.566 -3.118 -9.184 544 H VAL 67 H VAL 67 3.526 -6.648 -6.391 545 HA VAL 67 HA VAL 67 3.898 -6.170 -3.509 546 HB VAL 67 HB VAL 67 1.474 -6.933 -3.305 547 HG11 VAL 67 HG11 VAL 67 1.997 -4.332 -4.741 548 HG12 VAL 67 HG12 VAL 67 2.184 -4.600 -3.008 549 HG13 VAL 67 HG13 VAL 67 0.587 -4.710 -3.750 550 HG21 VAL 67 HG21 VAL 67 1.408 -6.212 -6.224 551 HG22 VAL 67 HG22 VAL 67 0.049 -6.723 -5.220 552 HG23 VAL 67 HG23 VAL 67 1.348 -7.856 -5.595 553 H LEU 68 H LEU 68 3.069 -8.103 -2.196 554 HA LEU 68 HA LEU 68 3.728 -10.616 -3.595 555 HB2 LEU 68 HB2 LEU 68 5.426 -9.610 -1.907 556 HB3 LEU 68 HB3 LEU 68 4.288 -10.151 -0.691 557 HG LEU 68 HG LEU 68 4.481 -12.469 -1.652 558 HD11 LEU 68 HD11 LEU 68 6.436 -12.961 -3.028 559 HD12 LEU 68 HD12 LEU 68 6.808 -11.240 -3.121 560 HD13 LEU 68 HD13 LEU 68 5.328 -11.863 -3.853 561 HD21 LEU 68 HD21 LEU 68 6.991 -11.202 -0.566 562 HD22 LEU 68 HD22 LEU 68 6.620 -12.927 -0.568 563 HD23 LEU 68 HD23 LEU 68 5.638 -11.814 0.385 564 H ARG 69 H ARG 69 2.472 -12.389 -3.150 565 HA ARG 69 HA ARG 69 0.044 -11.846 -1.574 566 HB2 ARG 69 HB2 ARG 69 -0.793 -13.949 -2.848 567 HB3 ARG 69 HB3 ARG 69 -0.769 -12.394 -3.670 568 HG2 ARG 69 HG2 ARG 69 1.085 -12.963 -4.951 569 HG3 ARG 69 HG3 ARG 69 1.529 -14.299 -3.885 570 HD2 ARG 69 HD2 ARG 69 -0.479 -15.513 -4.584 571 HD3 ARG 69 HD3 ARG 69 -0.910 -14.181 -5.656 572 HE ARG 69 HE ARG 69 1.678 -15.060 -6.292 573 HH11 ARG 69 HH11 ARG 69 -1.632 -16.137 -6.471 574 HH12 ARG 69 HH12 ARG 69 -1.365 -17.139 -7.859 575 HH21 ARG 69 HH21 ARG 69 2.038 -16.377 -8.118 576 HH22 ARG 69 HH22 ARG 69 0.721 -17.275 -8.794 577 H THR 70 H THR 70 -0.617 -13.335 -0.012 578 HA THR 70 HA THR 70 1.209 -15.586 0.444 579 HB THR 70 HB THR 70 -0.093 -14.080 2.694 580 HG1 THR 70 HG1 THR 70 2.374 -13.244 2.475 581 HG21 THR 70 HG21 THR 70 2.161 -16.005 2.358 582 HG22 THR 70 HG22 THR 70 0.913 -15.942 3.605 583 HG23 THR 70 HG23 THR 70 2.259 -14.806 3.645 584 H HIS 71 H HIS 71 0.201 -16.891 2.420 585 HA HIS 71 HA HIS 71 -1.442 -18.769 1.613 586 HB2 HIS 71 HB2 HIS 71 -0.675 -17.640 4.133 587 HB3 HIS 71 HB3 HIS 71 -2.299 -18.292 4.231 588 HD1 HIS 71 HD1 HIS 71 -2.434 -20.913 3.311 589 HD2 HIS 71 HD2 HIS 71 1.270 -19.443 4.486 590 HE1 HIS 71 HE1 HIS 71 -1.003 -22.944 3.705 591 HE2 HIS 71 HE2 HIS 71 1.209 -22.033 4.498 592 H GLN 72 H GLN 72 -3.063 -16.421 3.800 593 HA GLN 72 HA GLN 72 -5.113 -15.671 1.915 594 HB2 GLN 72 HB2 GLN 72 -5.670 -18.008 2.258 595 HB3 GLN 72 HB3 GLN 72 -5.558 -17.816 4.000 596 HG2 GLN 72 HG2 GLN 72 -7.491 -16.329 3.961 597 HG3 GLN 72 HG3 GLN 72 -7.598 -16.515 2.211 598 HE21 GLN 72 HE21 GLN 72 -8.306 -18.466 1.347 599 HE22 GLN 72 HE22 GLN 72 -9.138 -19.644 2.300 600 HA PRO 73 HA PRO 73 -7.342 -14.697 2.088 601 HB2 PRO 73 HB2 PRO 73 -7.051 -11.753 2.101 602 HB3 PRO 73 HB3 PRO 73 -8.518 -12.732 2.014 603 HG2 PRO 73 HG2 PRO 73 -7.879 -11.409 4.244 604 HG3 PRO 73 HG3 PRO 73 -8.624 -13.017 4.310 605 HD2 PRO 73 HD2 PRO 73 -5.761 -12.236 4.707 606 HD3 PRO 73 HD3 PRO 73 -6.737 -13.429 5.590 607 H ALA 74 H ALA 74 -4.390 -13.255 2.732 608 HA ALA 74 HA ALA 74 -2.632 -14.119 1.078 609 HB1 ALA 74 HB1 ALA 74 -4.225 -12.198 -0.630 610 HB2 ALA 74 HB2 ALA 74 -4.029 -13.930 -0.902 611 HB3 ALA 74 HB3 ALA 74 -2.641 -12.851 -1.045 612 H ARG 75 H ARG 75 -1.395 -13.219 2.703 613 HA ARG 75 HA ARG 75 -1.485 -10.503 3.481 614 HB2 ARG 75 HB2 ARG 75 0.910 -12.347 3.602 615 HB3 ARG 75 HB3 ARG 75 0.628 -10.920 4.584 616 HG2 ARG 75 HG2 ARG 75 -1.000 -11.960 5.866 617 HG3 ARG 75 HG3 ARG 75 -1.300 -13.204 4.651 618 HD2 ARG 75 HD2 ARG 75 0.710 -14.337 5.171 619 HD3 ARG 75 HD3 ARG 75 1.320 -12.972 6.111 620 HE ARG 75 HE ARG 75 -1.067 -13.880 7.271 621 HH11 ARG 75 HH11 ARG 75 2.227 -14.909 6.786 622 HH12 ARG 75 HH12 ARG 75 2.265 -15.894 8.210 623 HH21 ARG 75 HH21 ARG 75 -1.026 -15.173 9.148 624 HH22 ARG 75 HH22 ARG 75 0.416 -16.045 9.552 625 H TYR 76 H TYR 76 -0.875 -8.739 2.355 626 HA TYR 76 HA TYR 76 0.901 -9.112 0.125 627 HB2 TYR 76 HB2 TYR 76 -0.871 -6.806 0.905 628 HB3 TYR 76 HB3 TYR 76 0.130 -6.835 -0.542 629 HD1 TYR 76 HD1 TYR 76 -0.185 -9.167 -1.911 630 HD2 TYR 76 HD2 TYR 76 -3.102 -7.316 0.570 631 HE1 TYR 76 HE1 TYR 76 -1.957 -10.353 -3.131 632 HE2 TYR 76 HE2 TYR 76 -4.889 -8.492 -0.645 633 HH TYR 76 HH TYR 76 -4.280 -11.074 -2.761 634 H SER 77 H SER 77 2.694 -7.889 -0.355 635 HA SER 77 HA SER 77 3.794 -6.165 1.657 636 HB2 SER 77 HB2 SER 77 5.887 -7.383 1.972 637 HB3 SER 77 HB3 SER 77 4.522 -8.376 2.482 638 HG SER 77 HG SER 77 5.844 -9.645 1.234 639 H LEU 78 H LEU 78 5.240 -4.720 0.841 640 HA LEU 78 HA LEU 78 5.322 -4.323 -1.929 641 HB2 LEU 78 HB2 LEU 78 6.884 -3.140 0.345 642 HB3 LEU 78 HB3 LEU 78 7.128 -2.629 -1.307 643 HG LEU 78 HG LEU 78 4.681 -2.269 0.398 644 HD11 LEU 78 HD11 LEU 78 6.526 -0.653 0.602 645 HD12 LEU 78 HD12 LEU 78 5.064 0.070 -0.066 646 HD13 LEU 78 HD13 LEU 78 6.412 -0.332 -1.128 647 HD21 LEU 78 HD21 LEU 78 4.961 -1.811 -2.569 648 HD22 LEU 78 HD22 LEU 78 3.619 -1.256 -1.571 649 HD23 LEU 78 HD23 LEU 78 3.901 -2.983 -1.785 650 H THR 79 H THR 79 6.515 -5.378 -3.419 651 HA THR 79 HA THR 79 8.981 -6.618 -2.702 652 HB THR 79 HB THR 79 8.675 -6.546 -5.526 653 HG1 THR 79 HG1 THR 79 6.437 -7.507 -5.449 654 HG21 THR 79 HG21 THR 79 9.526 -8.438 -4.198 655 HG22 THR 79 HG22 THR 79 8.216 -8.931 -5.268 656 HG23 THR 79 HG23 THR 79 7.908 -8.696 -3.548 657 HA PRO 80 HA PRO 80 12.229 -3.842 -4.012 658 HB2 PRO 80 HB2 PRO 80 12.170 -4.980 -6.784 659 HB3 PRO 80 HB3 PRO 80 13.557 -4.560 -5.778 660 HG2 PRO 80 HG2 PRO 80 12.802 -7.087 -5.990 661 HG3 PRO 80 HG3 PRO 80 13.305 -6.437 -4.419 662 HD2 PRO 80 HD2 PRO 80 10.585 -7.109 -5.408 663 HD3 PRO 80 HD3 PRO 80 11.231 -7.156 -3.755 664 H GLU 81 H GLU 81 9.927 -4.242 -6.722 665 HA GLU 81 HA GLU 81 10.361 -1.580 -7.695 666 HB2 GLU 81 HB2 GLU 81 8.270 -3.665 -8.302 667 HB3 GLU 81 HB3 GLU 81 8.303 -2.088 -9.071 668 HG2 GLU 81 HG2 GLU 81 9.314 -3.732 -10.503 669 HG3 GLU 81 HG3 GLU 81 10.525 -2.573 -9.963 670 H GLY 82 H GLY 82 7.878 -3.144 -5.683 671 HA2 GLY 82 HA2 GLY 82 6.098 -0.878 -5.681 672 HA3 GLY 82 HA3 GLY 82 6.041 -2.246 -4.590 673 H LEU 83 H LEU 83 8.933 -1.872 -3.955 674 HA LEU 83 HA LEU 83 8.552 -0.215 -1.656 675 HB2 LEU 83 HB2 LEU 83 10.315 -2.225 -2.383 676 HB3 LEU 83 HB3 LEU 83 11.318 -0.790 -2.385 677 HG LEU 83 HG LEU 83 11.479 -1.857 -0.233 678 HD11 LEU 83 HD11 LEU 83 9.778 0.625 -0.088 679 HD12 LEU 83 HD12 LEU 83 11.537 0.560 -0.194 680 HD13 LEU 83 HD13 LEU 83 10.715 -0.049 1.244 681 HD21 LEU 83 HD21 LEU 83 8.487 -1.566 -0.047 682 HD22 LEU 83 HD22 LEU 83 9.558 -2.208 1.199 683 HD23 LEU 83 HD23 LEU 83 9.353 -3.078 -0.321 684 H GLU 84 H GLU 84 10.745 0.006 -4.455 685 HA GLU 84 HA GLU 84 11.570 2.563 -4.093 686 HB2 GLU 84 HB2 GLU 84 11.018 1.247 -6.759 687 HB3 GLU 84 HB3 GLU 84 12.030 2.665 -6.519 688 HG2 GLU 84 HG2 GLU 84 13.551 1.340 -5.141 689 HG3 GLU 84 HG3 GLU 84 12.536 -0.075 -5.401 690 H LEU 85 H LEU 85 8.660 1.540 -5.812 691 HA LEU 85 HA LEU 85 7.980 4.120 -6.834 692 HB2 LEU 85 HB2 LEU 85 6.973 1.441 -6.957 693 HB3 LEU 85 HB3 LEU 85 5.679 2.517 -6.479 694 HG LEU 85 HG LEU 85 7.380 2.855 -8.948 695 HD11 LEU 85 HD11 LEU 85 4.540 1.887 -8.659 696 HD12 LEU 85 HD12 LEU 85 5.933 0.893 -9.089 697 HD13 LEU 85 HD13 LEU 85 5.392 2.171 -10.177 698 HD21 LEU 85 HD21 LEU 85 4.903 4.319 -8.042 699 HD22 LEU 85 HD22 LEU 85 5.748 4.555 -9.572 700 HD23 LEU 85 HD23 LEU 85 6.541 4.970 -8.053 701 H ALA 86 H ALA 86 7.173 2.194 -3.976 702 HA ALA 86 HA ALA 86 5.096 3.819 -2.964 703 HB1 ALA 86 HB1 ALA 86 5.527 1.580 -2.105 704 HB2 ALA 86 HB2 ALA 86 5.568 2.774 -0.808 705 HB3 ALA 86 HB3 ALA 86 7.074 2.119 -1.450 706 H GLN 87 H GLN 87 8.618 3.980 -2.613 707 HA GLN 87 HA GLN 87 8.699 5.979 -0.610 708 HB2 GLN 87 HB2 GLN 87 10.643 5.330 -2.838 709 HB3 GLN 87 HB3 GLN 87 10.978 6.464 -1.538 710 HG2 GLN 87 HG2 GLN 87 10.754 4.669 0.095 711 HG3 GLN 87 HG3 GLN 87 10.403 3.530 -1.202 712 HE21 GLN 87 HE21 GLN 87 12.843 5.453 0.347 713 HE22 GLN 87 HE22 GLN 87 14.205 4.697 -0.402 714 H LYS 88 H LYS 88 8.591 6.078 -4.127 715 HA LYS 88 HA LYS 88 8.575 8.804 -4.437 716 HB2 LYS 88 HB2 LYS 88 7.033 6.930 -6.220 717 HB3 LYS 88 HB3 LYS 88 7.865 8.411 -6.658 718 HG2 LYS 88 HG2 LYS 88 10.015 7.348 -6.207 719 HG3 LYS 88 HG3 LYS 88 9.185 5.871 -5.738 720 HD2 LYS 88 HD2 LYS 88 8.190 5.804 -8.039 721 HD3 LYS 88 HD3 LYS 88 9.263 7.139 -8.467 722 HE2 LYS 88 HE2 LYS 88 11.203 5.757 -7.871 723 HE3 LYS 88 HE3 LYS 88 10.126 4.423 -7.459 724 HZ1 LYS 88 HZ1 LYS 88 9.370 4.375 -9.755 725 HZ2 LYS 88 HZ2 LYS 88 11.047 4.165 -9.676 726 HZ3 LYS 88 HZ3 LYS 88 10.404 5.656 -10.149 727 H LEU 89 H LEU 89 5.798 6.619 -4.088 728 HA LEU 89 HA LEU 89 3.770 8.558 -4.513 729 HB2 LEU 89 HB2 LEU 89 3.885 5.864 -3.196 730 HB3 LEU 89 HB3 LEU 89 2.432 6.840 -3.123 731 HG LEU 89 HG LEU 89 2.290 6.820 -5.569 732 HD11 LEU 89 HD11 LEU 89 4.697 6.620 -6.035 733 HD12 LEU 89 HD12 LEU 89 3.728 5.440 -6.915 734 HD13 LEU 89 HD13 LEU 89 4.637 4.945 -5.489 735 HD21 LEU 89 HD21 LEU 89 2.600 4.050 -4.434 736 HD22 LEU 89 HD22 LEU 89 1.624 4.517 -5.827 737 HD23 LEU 89 HD23 LEU 89 1.185 5.076 -4.214 738 H ALA 90 H ALA 90 5.726 7.536 -1.852 739 HA ALA 90 HA ALA 90 4.327 8.844 0.187 740 HB1 ALA 90 HB1 ALA 90 5.937 7.043 0.572 741 HB2 ALA 90 HB2 ALA 90 6.306 8.467 1.547 742 HB3 ALA 90 HB3 ALA 90 7.251 8.119 0.098 743 H GLU 91 H GLU 91 6.751 9.994 -2.034 744 HA GLU 91 HA GLU 91 7.659 12.272 -0.742 745 HB2 GLU 91 HB2 GLU 91 7.029 12.218 -3.688 746 HB3 GLU 91 HB3 GLU 91 8.290 13.132 -2.867 747 HG2 GLU 91 HG2 GLU 91 9.468 11.081 -2.346 748 HG3 GLU 91 HG3 GLU 91 8.178 10.148 -3.102 749 H SER 92 H SER 92 4.862 11.926 -2.873 750 HA SER 92 HA SER 92 3.835 14.433 -2.699 751 HB2 SER 92 HB2 SER 92 2.991 12.677 -4.193 752 HB3 SER 92 HB3 SER 92 2.278 11.841 -2.814 753 HG SER 92 HG SER 92 1.374 14.031 -4.198 754 H GLU 93 H GLU 93 3.844 12.016 -0.228 755 HA GLU 93 HA GLU 93 1.801 13.420 1.350 756 HB2 GLU 93 HB2 GLU 93 3.196 10.860 2.099 757 HB3 GLU 93 HB3 GLU 93 1.675 11.489 2.706 758 HG2 GLU 93 HG2 GLU 93 2.076 10.609 -0.133 759 HG3 GLU 93 HG3 GLU 93 1.510 9.540 1.149 760 H GLY 94 H GLY 94 5.082 13.351 0.808 761 HA2 GLY 94 HA2 GLY 94 6.655 14.758 1.877 762 HA3 GLY 94 HA3 GLY 94 5.555 14.909 3.244 763 H LEU 95 H LEU 95 5.409 11.797 2.414 764 HA LEU 95 HA LEU 95 6.271 9.835 3.138 765 HB2 LEU 95 HB2 LEU 95 8.487 11.255 2.358 766 HB3 LEU 95 HB3 LEU 95 8.878 10.836 4.015 767 HG LEU 95 HG LEU 95 8.416 9.017 1.675 768 HD11 LEU 95 HD11 LEU 95 10.588 9.206 3.753 769 HD12 LEU 95 HD12 LEU 95 10.681 9.780 2.087 770 HD13 LEU 95 HD13 LEU 95 10.534 8.054 2.420 771 HD21 LEU 95 HD21 LEU 95 8.301 8.246 4.588 772 HD22 LEU 95 HD22 LEU 95 8.456 7.111 3.248 773 HD23 LEU 95 HD23 LEU 95 7.003 8.100 3.400 774 H SER 96 H SER 96 5.065 11.918 4.869 775 HA SER 96 HA SER 96 6.290 11.391 7.469 776 HB2 SER 96 HB2 SER 96 4.005 13.208 6.657 777 HB3 SER 96 HB3 SER 96 4.624 13.049 8.302 778 HG SER 96 HG SER 96 5.677 14.769 7.440 779 H LEU 97 H LEU 97 5.140 9.158 6.186 780 HA LEU 97 HA LEU 97 2.427 8.795 7.159 781 HB2 LEU 97 HB2 LEU 97 4.323 6.903 5.766 782 HB3 LEU 97 HB3 LEU 97 2.684 6.501 6.237 783 HG LEU 97 HG LEU 97 1.938 8.434 4.747 784 HD11 LEU 97 HD11 LEU 97 4.769 8.129 3.757 785 HD12 LEU 97 HD12 LEU 97 4.060 9.564 4.497 786 HD13 LEU 97 HD13 LEU 97 3.489 9.011 2.924 787 HD21 LEU 97 HD21 LEU 97 3.267 6.033 3.500 788 HD22 LEU 97 HD22 LEU 97 2.048 7.052 2.734 789 HD23 LEU 97 HD23 LEU 97 1.630 6.095 4.155 790 H LEU 98 H LEU 98 5.052 6.438 7.420 791 HA LEU 98 HA LEU 98 4.390 5.980 10.155 792 HB2 LEU 98 HB2 LEU 98 5.067 4.209 8.529 793 HB3 LEU 98 HB3 LEU 98 6.698 4.848 8.574 794 HG LEU 98 HG LEU 98 6.755 4.359 11.025 795 HD11 LEU 98 HD11 LEU 98 4.173 2.922 10.436 796 HD12 LEU 98 HD12 LEU 98 4.356 4.357 11.445 797 HD13 LEU 98 HD13 LEU 98 5.087 2.829 11.940 798 HD21 LEU 98 HD21 LEU 98 7.068 1.952 10.752 799 HD22 LEU 98 HD22 LEU 98 7.765 2.846 9.402 800 HD23 LEU 98 HD23 LEU 98 6.224 2.015 9.206 801 H ASN 99 H ASN 99 5.806 6.088 11.969 802 HA ASN 99 HA ASN 99 7.226 7.165 13.376 803 HB2 ASN 99 HB2 ASN 99 8.947 7.241 10.890 804 HB3 ASN 99 HB3 ASN 99 9.513 7.670 12.501 805 HD21 ASN 99 HD21 ASN 99 8.591 5.111 10.373 806 HD22 ASN 99 HD22 ASN 99 9.114 3.804 11.375 807 H VAL 100 H VAL 100 6.098 8.996 13.883 808 HA VAL 100 HA VAL 100 7.029 11.454 12.614 809 HB VAL 100 HB VAL 100 4.736 12.385 12.507 810 HG11 VAL 100 HG11 VAL 100 5.172 9.901 10.853 811 HG12 VAL 100 HG12 VAL 100 5.788 11.514 10.494 812 HG13 VAL 100 HG13 VAL 100 4.052 11.208 10.469 813 HG21 VAL 100 HG21 VAL 100 3.654 10.922 14.123 814 HG22 VAL 100 HG22 VAL 100 3.886 9.542 13.050 815 HG23 VAL 100 HG23 VAL 100 2.816 10.859 12.573 816 H GLY 101 H GLY 101 5.295 9.873 15.240 817 HA2 GLY 101 HA2 GLY 101 5.584 12.250 16.906 818 HA3 GLY 101 HA3 GLY 101 4.671 10.802 17.305 819 H ILE 102 H ILE 102 5.596 10.673 19.364 820 HA ILE 102 HA ILE 102 8.311 10.669 19.924 821 HB ILE 102 HB ILE 102 7.657 9.265 21.956 822 HG12 ILE 102 HG12 ILE 102 5.141 9.336 22.380 823 HG13 ILE 102 HG13 ILE 102 4.955 9.634 20.656 824 HG21 ILE 102 HG21 ILE 102 7.877 11.678 22.027 825 HG22 ILE 102 HG22 ILE 102 6.510 11.160 23.012 826 HG23 ILE 102 HG23 ILE 102 6.232 11.867 21.421 827 HD11 ILE 102 HD11 ILE 102 6.283 7.218 21.861 828 HD12 ILE 102 HD12 ILE 102 5.977 7.507 20.148 829 HD13 ILE 102 HD13 ILE 102 4.627 7.283 21.259 830 H GLY 103 H GLY 103 9.340 8.591 21.031 831 HA2 GLY 103 HA2 GLY 103 9.133 6.063 20.421 832 HA3 GLY 103 HA3 GLY 103 9.564 6.666 18.828 Start of MODEL 3 1 H GLY 1 H GLY 1 11.566 5.052 -15.068 2 HA2 GLY 1 HA2 GLY 1 9.519 3.740 -13.363 3 HA3 GLY 1 HA3 GLY 1 9.968 5.438 -13.296 4 H SER 2 H SER 2 8.617 2.949 -15.419 5 HA SER 2 HA SER 2 7.453 5.003 -17.131 6 HB2 SER 2 HB2 SER 2 7.412 1.984 -17.369 7 HB3 SER 2 HB3 SER 2 6.775 3.110 -18.567 8 HG SER 2 HG SER 2 8.748 3.575 -19.196 9 H TYR 3 H TYR 3 6.513 2.564 -14.796 10 HA TYR 3 HA TYR 3 3.684 3.037 -15.235 11 HB2 TYR 3 HB2 TYR 3 4.421 0.764 -14.744 12 HB3 TYR 3 HB3 TYR 3 5.127 1.298 -13.223 13 HD1 TYR 3 HD1 TYR 3 1.875 1.082 -15.025 14 HD2 TYR 3 HD2 TYR 3 3.862 1.240 -11.267 15 HE1 TYR 3 HE1 TYR 3 -0.258 0.636 -13.885 16 HE2 TYR 3 HE2 TYR 3 1.736 0.793 -10.117 17 HH TYR 3 HH TYR 3 -1.047 -0.270 -11.744 18 H TRP 4 H TRP 4 2.552 4.556 -14.231 19 HA TRP 4 HA TRP 4 3.197 5.308 -11.494 20 HB2 TRP 4 HB2 TRP 4 4.562 6.830 -12.855 21 HB3 TRP 4 HB3 TRP 4 3.127 7.332 -13.742 22 HD1 TRP 4 HD1 TRP 4 1.588 9.150 -12.639 23 HE1 TRP 4 HE1 TRP 4 1.799 10.608 -10.528 24 HE3 TRP 4 HE3 TRP 4 5.502 6.755 -10.387 25 HZ2 TRP 4 HZ2 TRP 4 3.413 10.727 -8.215 26 HZ3 TRP 4 HZ3 TRP 4 6.318 7.603 -8.228 27 HH2 TRP 4 HH2 TRP 4 5.295 9.549 -7.165 28 HA PRO 5 HA PRO 5 -1.339 4.983 -11.945 29 HB2 PRO 5 HB2 PRO 5 -1.140 5.132 -8.996 30 HB3 PRO 5 HB3 PRO 5 -1.962 3.941 -10.008 31 HG2 PRO 5 HG2 PRO 5 0.304 3.338 -8.728 32 HG3 PRO 5 HG3 PRO 5 -0.036 2.705 -10.349 33 HD2 PRO 5 HD2 PRO 5 1.760 4.953 -9.529 34 HD3 PRO 5 HD3 PRO 5 2.009 3.705 -10.767 35 H ALA 6 H ALA 6 -3.129 6.331 -11.032 36 HA ALA 6 HA ALA 6 -2.404 9.112 -11.218 37 HB1 ALA 6 HB1 ALA 6 -4.796 9.541 -11.055 38 HB2 ALA 6 HB2 ALA 6 -5.084 7.852 -10.637 39 HB3 ALA 6 HB3 ALA 6 -4.471 8.272 -12.236 40 H ARG 7 H ARG 7 -4.059 10.397 -9.477 41 HA ARG 7 HA ARG 7 -2.646 10.056 -6.987 42 HB2 ARG 7 HB2 ARG 7 -4.807 12.020 -7.770 43 HB3 ARG 7 HB3 ARG 7 -3.867 12.083 -6.284 44 HG2 ARG 7 HG2 ARG 7 -1.823 12.393 -7.595 45 HG3 ARG 7 HG3 ARG 7 -2.777 12.349 -9.079 46 HD2 ARG 7 HD2 ARG 7 -4.016 14.324 -8.339 47 HD3 ARG 7 HD3 ARG 7 -3.069 14.364 -6.852 48 HE ARG 7 HE ARG 7 -1.319 14.427 -9.043 49 HH11 ARG 7 HH11 ARG 7 -3.703 16.420 -7.468 50 HH12 ARG 7 HH12 ARG 7 -2.964 17.911 -7.952 51 HH21 ARG 7 HH21 ARG 7 -0.339 16.384 -9.685 52 HH22 ARG 7 HH22 ARG 7 -1.054 17.890 -9.212 53 H HIS 8 H HIS 8 -3.394 9.259 -5.107 54 HA HIS 8 HA HIS 8 -4.695 8.123 -3.630 55 HB2 HIS 8 HB2 HIS 8 -6.951 9.537 -5.070 56 HB3 HIS 8 HB3 HIS 8 -7.092 8.709 -3.523 57 HD1 HIS 8 HD1 HIS 8 -6.406 9.985 -1.455 58 HD2 HIS 8 HD2 HIS 8 -5.402 11.950 -4.977 59 HE1 HIS 8 HE1 HIS 8 -5.658 12.281 -0.754 60 HE2 HIS 8 HE2 HIS 8 -5.149 13.483 -2.909 61 H SER 9 H SER 9 -4.305 7.210 -6.594 62 HA SER 9 HA SER 9 -6.455 5.580 -7.331 63 HB2 SER 9 HB2 SER 9 -3.497 5.186 -7.843 64 HB3 SER 9 HB3 SER 9 -4.788 4.314 -8.669 65 HG SER 9 HG SER 9 -5.211 6.028 -9.835 66 H GLY 10 H GLY 10 -6.918 3.393 -6.976 67 HA2 GLY 10 HA2 GLY 10 -6.643 2.466 -4.353 68 HA3 GLY 10 HA3 GLY 10 -7.079 1.474 -5.736 69 H ALA 11 H ALA 11 -5.014 1.130 -7.233 70 HA ALA 11 HA ALA 11 -3.290 -0.531 -6.009 71 HB1 ALA 11 HB1 ALA 11 -1.842 -0.356 -7.972 72 HB2 ALA 11 HB2 ALA 11 -2.679 1.120 -8.453 73 HB3 ALA 11 HB3 ALA 11 -3.549 -0.417 -8.415 74 H ARG 12 H ARG 12 -2.787 2.971 -6.319 75 HA ARG 12 HA ARG 12 -0.022 2.849 -5.508 76 HB2 ARG 12 HB2 ARG 12 0.029 5.157 -5.712 77 HB3 ARG 12 HB3 ARG 12 -1.178 4.710 -6.900 78 HG2 ARG 12 HG2 ARG 12 -2.934 5.482 -5.571 79 HG3 ARG 12 HG3 ARG 12 -1.940 5.521 -4.116 80 HD2 ARG 12 HD2 ARG 12 -1.482 7.272 -6.521 81 HD3 ARG 12 HD3 ARG 12 -2.431 7.761 -5.119 82 HE ARG 12 HE ARG 12 0.087 6.888 -4.248 83 HH11 ARG 12 HH11 ARG 12 -1.357 9.499 -6.048 84 HH12 ARG 12 HH12 ARG 12 -0.144 10.651 -5.597 85 HH21 ARG 12 HH21 ARG 12 1.686 8.400 -3.648 86 HH22 ARG 12 HH22 ARG 12 1.585 10.027 -4.234 87 H VAL 13 H VAL 13 -3.143 3.316 -3.992 88 HA VAL 13 HA VAL 13 -2.246 4.296 -1.498 89 HB VAL 13 HB VAL 13 -4.730 2.720 -2.189 90 HG11 VAL 13 HG11 VAL 13 -5.628 3.576 -0.062 91 HG12 VAL 13 HG12 VAL 13 -4.040 4.235 0.324 92 HG13 VAL 13 HG13 VAL 13 -4.259 2.491 0.172 93 HG21 VAL 13 HG21 VAL 13 -4.547 4.888 -3.320 94 HG22 VAL 13 HG22 VAL 13 -4.326 5.677 -1.763 95 HG23 VAL 13 HG23 VAL 13 -5.852 4.877 -2.136 96 H ILE 14 H ILE 14 -2.736 1.009 -2.748 97 HA ILE 14 HA ILE 14 -2.163 -0.231 -0.318 98 HB ILE 14 HB ILE 14 -2.455 -2.225 -1.350 99 HG12 ILE 14 HG12 ILE 14 -1.181 -1.177 -3.886 100 HG13 ILE 14 HG13 ILE 14 -0.356 -2.141 -2.667 101 HG21 ILE 14 HG21 ILE 14 -4.095 -2.051 -3.057 102 HG22 ILE 14 HG22 ILE 14 -3.490 -0.472 -3.554 103 HG23 ILE 14 HG23 ILE 14 -4.282 -0.658 -1.990 104 HD11 ILE 14 HD11 ILE 14 -1.910 -3.986 -3.107 105 HD12 ILE 14 HD12 ILE 14 -0.989 -3.516 -4.537 106 HD13 ILE 14 HD13 ILE 14 -2.673 -3.019 -4.370 107 H LEU 15 H LEU 15 0.046 -0.179 -3.170 108 HA LEU 15 HA LEU 15 2.204 -1.092 -1.935 109 HB2 LEU 15 HB2 LEU 15 2.326 1.180 -3.915 110 HB3 LEU 15 HB3 LEU 15 3.616 0.056 -3.553 111 HG LEU 15 HG LEU 15 1.134 -1.243 -4.411 112 HD11 LEU 15 HD11 LEU 15 0.989 0.757 -5.788 113 HD12 LEU 15 HD12 LEU 15 1.405 -0.650 -6.765 114 HD13 LEU 15 HD13 LEU 15 2.650 0.519 -6.330 115 HD21 LEU 15 HD21 LEU 15 2.710 -2.503 -5.789 116 HD22 LEU 15 HD22 LEU 15 3.247 -2.425 -4.111 117 HD23 LEU 15 HD23 LEU 15 4.004 -1.396 -5.328 118 H LEU 16 H LEU 16 0.958 2.117 -1.431 119 HA LEU 16 HA LEU 16 3.406 3.250 -0.395 120 HB2 LEU 16 HB2 LEU 16 1.809 4.671 -1.519 121 HB3 LEU 16 HB3 LEU 16 0.528 4.134 -0.454 122 HG LEU 16 HG LEU 16 1.672 5.202 1.434 123 HD11 LEU 16 HD11 LEU 16 3.517 6.744 1.015 124 HD12 LEU 16 HD12 LEU 16 3.538 6.264 -0.682 125 HD13 LEU 16 HD13 LEU 16 3.957 5.095 0.568 126 HD21 LEU 16 HD21 LEU 16 -0.072 6.394 0.331 127 HD22 LEU 16 HD22 LEU 16 1.016 6.903 -0.960 128 HD23 LEU 16 HD23 LEU 16 1.225 7.539 0.675 129 H VAL 17 H VAL 17 0.342 1.952 0.722 130 HA VAL 17 HA VAL 17 0.798 2.464 3.483 131 HB VAL 17 HB VAL 17 -1.415 2.108 2.266 132 HG11 VAL 17 HG11 VAL 17 -2.266 -0.257 2.524 133 HG12 VAL 17 HG12 VAL 17 -0.572 -0.737 2.631 134 HG13 VAL 17 HG13 VAL 17 -1.171 0.067 1.180 135 HG21 VAL 17 HG21 VAL 17 -1.153 2.409 4.693 136 HG22 VAL 17 HG22 VAL 17 -0.984 0.660 4.868 137 HG23 VAL 17 HG23 VAL 17 -2.496 1.346 4.275 138 H LEU 18 H LEU 18 1.075 -0.498 1.467 139 HA LEU 18 HA LEU 18 2.077 -2.126 3.380 140 HB2 LEU 18 HB2 LEU 18 3.088 -2.037 0.528 141 HB3 LEU 18 HB3 LEU 18 3.276 -3.384 1.629 142 HG LEU 18 HG LEU 18 0.832 -2.462 0.183 143 HD11 LEU 18 HD11 LEU 18 2.135 -5.142 0.573 144 HD12 LEU 18 HD12 LEU 18 2.237 -4.127 -0.865 145 HD13 LEU 18 HD13 LEU 18 0.691 -4.829 -0.388 146 HD21 LEU 18 HD21 LEU 18 0.103 -2.631 2.491 147 HD22 LEU 18 HD22 LEU 18 0.872 -4.211 2.640 148 HD23 LEU 18 HD23 LEU 18 -0.510 -4.001 1.564 149 H TYR 19 H TYR 19 3.578 0.588 1.918 150 HA TYR 19 HA TYR 19 6.310 -0.092 2.202 151 HB2 TYR 19 HB2 TYR 19 5.516 1.809 0.841 152 HB3 TYR 19 HB3 TYR 19 5.040 2.643 2.315 153 HD1 TYR 19 HD1 TYR 19 7.994 1.225 0.559 154 HD2 TYR 19 HD2 TYR 19 6.570 3.973 3.478 155 HE1 TYR 19 HE1 TYR 19 10.249 2.187 0.746 156 HE2 TYR 19 HE2 TYR 19 8.820 4.943 3.671 157 HH TYR 19 HH TYR 19 11.153 4.281 3.254 158 H ARG 20 H ARG 20 4.447 2.190 4.283 159 HA ARG 20 HA ARG 20 6.252 2.228 6.288 160 HB2 ARG 20 HB2 ARG 20 4.404 2.835 7.833 161 HB3 ARG 20 HB3 ARG 20 4.375 3.717 6.314 162 HG2 ARG 20 HG2 ARG 20 2.206 3.197 6.348 163 HG3 ARG 20 HG3 ARG 20 2.757 1.652 5.706 164 HD2 ARG 20 HD2 ARG 20 1.284 1.172 7.509 165 HD3 ARG 20 HD3 ARG 20 2.922 0.834 8.066 166 HE ARG 20 HE ARG 20 2.354 3.446 8.792 167 HH11 ARG 20 HH11 ARG 20 1.142 0.253 9.482 168 HH12 ARG 20 HH12 ARG 20 0.608 0.659 11.079 169 HH21 ARG 20 HH21 ARG 20 1.652 3.991 10.893 170 HH22 ARG 20 HH22 ARG 20 0.897 2.784 11.880 171 H GLU 21 H GLU 21 3.398 0.083 6.551 172 HA GLU 21 HA GLU 21 4.200 -1.426 8.514 173 HB2 GLU 21 HB2 GLU 21 2.409 -1.883 6.313 174 HB3 GLU 21 HB3 GLU 21 3.173 -3.393 6.801 175 HG2 GLU 21 HG2 GLU 21 1.842 -1.510 8.717 176 HG3 GLU 21 HG3 GLU 21 1.023 -2.865 7.950 177 H HIS 22 H HIS 22 5.717 -1.515 5.436 178 HA HIS 22 HA HIS 22 6.970 -4.109 5.832 179 HB2 HIS 22 HB2 HIS 22 6.482 -3.467 3.566 180 HB3 HIS 22 HB3 HIS 22 7.368 -1.959 3.747 181 HD1 HIS 22 HD1 HIS 22 7.783 -5.499 2.852 182 HD2 HIS 22 HD2 HIS 22 10.229 -2.309 3.906 183 HE1 HIS 22 HE1 HIS 22 10.107 -6.177 2.167 184 HE2 HIS 22 HE2 HIS 22 11.559 -4.207 2.757 185 H LEU 23 H LEU 23 7.683 -0.680 6.054 186 HA LEU 23 HA LEU 23 10.311 -1.085 7.004 187 HB2 LEU 23 HB2 LEU 23 8.468 1.275 6.842 188 HB3 LEU 23 HB3 LEU 23 9.988 1.401 7.709 189 HG LEU 23 HG LEU 23 11.105 0.607 5.574 190 HD11 LEU 23 HD11 LEU 23 9.079 -0.259 4.489 191 HD12 LEU 23 HD12 LEU 23 9.922 0.931 3.496 192 HD13 LEU 23 HD13 LEU 23 8.462 1.390 4.372 193 HD21 LEU 23 HD21 LEU 23 11.227 2.904 6.349 194 HD22 LEU 23 HD22 LEU 23 9.678 3.257 5.582 195 HD23 LEU 23 HD23 LEU 23 11.079 2.850 4.592 196 H ASN 24 H ASN 24 7.391 -1.600 8.490 197 HA ASN 24 HA ASN 24 7.817 -0.452 11.068 198 HB2 ASN 24 HB2 ASN 24 5.905 -2.404 9.887 199 HB3 ASN 24 HB3 ASN 24 6.118 -2.419 11.637 200 HD21 ASN 24 HD21 ASN 24 5.499 -0.646 12.845 201 HD22 ASN 24 HD22 ASN 24 4.484 0.594 12.206 202 HA PRO 25 HA PRO 25 11.001 -3.488 12.117 203 HB2 PRO 25 HB2 PRO 25 11.202 -1.907 14.575 204 HB3 PRO 25 HB3 PRO 25 12.426 -2.221 13.346 205 HG2 PRO 25 HG2 PRO 25 11.291 0.207 13.672 206 HG3 PRO 25 HG3 PRO 25 11.825 -0.391 12.091 207 HD2 PRO 25 HD2 PRO 25 9.060 -0.264 13.232 208 HD3 PRO 25 HD3 PRO 25 9.616 0.063 11.581 209 H ASN 26 H ASN 26 8.530 -2.243 14.322 210 HA ASN 26 HA ASN 26 8.738 -4.691 15.932 211 HB2 ASN 26 HB2 ASN 26 8.878 -2.487 17.142 212 HB3 ASN 26 HB3 ASN 26 7.228 -2.163 16.623 213 HD21 ASN 26 HD21 ASN 26 9.263 -4.158 18.626 214 HD22 ASN 26 HD22 ASN 26 8.007 -4.765 19.643 215 H GLY 27 H GLY 27 7.594 -4.687 13.319 216 HA2 GLY 27 HA2 GLY 27 4.935 -5.537 13.936 217 HA3 GLY 27 HA3 GLY 27 4.956 -4.153 12.852 218 H HIS 28 H HIS 28 3.823 -5.904 11.541 219 HA HIS 28 HA HIS 28 5.638 -7.866 10.355 220 HB2 HIS 28 HB2 HIS 28 2.673 -7.419 9.950 221 HB3 HIS 28 HB3 HIS 28 3.614 -8.702 9.198 222 HD1 HIS 28 HD1 HIS 28 4.026 -10.788 10.557 223 HD2 HIS 28 HD2 HIS 28 2.337 -7.714 12.785 224 HE1 HIS 28 HE1 HIS 28 3.397 -11.822 12.762 225 HE2 HIS 28 HE2 HIS 28 2.298 -9.963 14.059 226 H HIS 29 H HIS 29 6.321 -7.769 8.251 227 HA HIS 29 HA HIS 29 6.157 -5.202 6.962 228 HB2 HIS 29 HB2 HIS 29 7.667 -6.257 5.270 229 HB3 HIS 29 HB3 HIS 29 8.275 -6.361 6.918 230 HD1 HIS 29 HD1 HIS 29 8.520 -8.689 7.943 231 HD2 HIS 29 HD2 HIS 29 6.869 -8.720 4.130 232 HE1 HIS 29 HE1 HIS 29 8.541 -11.098 7.221 233 HE2 HIS 29 HE2 HIS 29 7.616 -11.081 4.877 234 H PHE 30 H PHE 30 3.654 -6.279 7.129 235 HA PHE 30 HA PHE 30 2.763 -6.229 4.462 236 HB2 PHE 30 HB2 PHE 30 1.768 -8.488 4.309 237 HB3 PHE 30 HB3 PHE 30 3.521 -8.542 4.351 238 HD1 PHE 30 HD1 PHE 30 0.459 -9.126 6.307 239 HD2 PHE 30 HD2 PHE 30 4.679 -9.642 6.110 240 HE1 PHE 30 HE1 PHE 30 0.349 -10.699 8.193 241 HE2 PHE 30 HE2 PHE 30 4.577 -11.218 7.997 242 HZ PHE 30 HZ PHE 30 2.409 -11.748 9.040 243 H LEU 31 H LEU 31 0.333 -6.972 4.404 244 HA LEU 31 HA LEU 31 -1.065 -6.718 6.937 245 HB2 LEU 31 HB2 LEU 31 -1.049 -4.672 4.751 246 HB3 LEU 31 HB3 LEU 31 -2.478 -4.889 5.735 247 HG LEU 31 HG LEU 31 0.238 -4.250 6.868 248 HD11 LEU 31 HD11 LEU 31 -0.639 -1.961 7.152 249 HD12 LEU 31 HD12 LEU 31 -2.044 -2.410 6.186 250 HD13 LEU 31 HD13 LEU 31 -0.437 -2.418 5.461 251 HD21 LEU 31 HD21 LEU 31 -1.285 -5.334 8.430 252 HD22 LEU 31 HD22 LEU 31 -2.528 -4.138 8.062 253 HD23 LEU 31 HD23 LEU 31 -1.038 -3.643 8.864 254 H THR 32 H THR 32 -3.352 -7.200 6.737 255 HA THR 32 HA THR 32 -3.797 -9.174 4.625 256 HB THR 32 HB THR 32 -5.783 -9.846 5.874 257 HG1 THR 32 HG1 THR 32 -5.699 -8.675 8.141 258 HG21 THR 32 HG21 THR 32 -4.700 -10.673 7.917 259 HG22 THR 32 HG22 THR 32 -3.365 -9.549 7.660 260 HG23 THR 32 HG23 THR 32 -3.651 -10.856 6.510 261 H LYS 33 H LYS 33 -6.071 -9.134 3.652 262 HA LYS 33 HA LYS 33 -6.309 -6.752 2.140 263 HB2 LYS 33 HB2 LYS 33 -7.178 -9.220 1.723 264 HB3 LYS 33 HB3 LYS 33 -8.633 -8.594 2.484 265 HG2 LYS 33 HG2 LYS 33 -7.307 -7.395 0.059 266 HG3 LYS 33 HG3 LYS 33 -8.695 -8.482 0.023 267 HD2 LYS 33 HD2 LYS 33 -9.987 -6.857 1.337 268 HD3 LYS 33 HD3 LYS 33 -8.597 -5.771 1.345 269 HE2 LYS 33 HE2 LYS 33 -10.197 -5.104 -0.361 270 HE3 LYS 33 HE3 LYS 33 -8.687 -5.639 -1.097 271 HZ1 LYS 33 HZ1 LYS 33 -11.157 -7.269 -0.847 272 HZ2 LYS 33 HZ2 LYS 33 -9.711 -7.776 -1.562 273 HZ3 LYS 33 HZ3 LYS 33 -10.607 -6.525 -2.263 274 H GLU 34 H GLU 34 -8.086 -8.012 4.938 275 HA GLU 34 HA GLU 34 -9.969 -5.903 5.044 276 HB2 GLU 34 HB2 GLU 34 -10.463 -6.749 7.307 277 HB3 GLU 34 HB3 GLU 34 -10.419 -8.032 6.109 278 HG2 GLU 34 HG2 GLU 34 -8.167 -8.634 6.838 279 HG3 GLU 34 HG3 GLU 34 -8.218 -7.350 8.044 280 H GLU 35 H GLU 35 -6.701 -6.198 6.236 281 HA GLU 35 HA GLU 35 -7.002 -4.101 8.229 282 HB2 GLU 35 HB2 GLU 35 -4.608 -5.643 7.233 283 HB3 GLU 35 HB3 GLU 35 -4.484 -4.311 8.374 284 HG2 GLU 35 HG2 GLU 35 -5.887 -5.513 9.955 285 HG3 GLU 35 HG3 GLU 35 -6.051 -6.844 8.811 286 H LEU 36 H LEU 36 -6.317 -4.389 4.878 287 HA LEU 36 HA LEU 36 -4.591 -2.082 4.633 288 HB2 LEU 36 HB2 LEU 36 -6.168 -3.574 2.540 289 HB3 LEU 36 HB3 LEU 36 -4.942 -2.362 2.248 290 HG LEU 36 HG LEU 36 -4.353 -4.928 3.658 291 HD11 LEU 36 HD11 LEU 36 -3.595 -5.876 1.617 292 HD12 LEU 36 HD12 LEU 36 -3.887 -4.373 0.747 293 HD13 LEU 36 HD13 LEU 36 -5.246 -5.315 1.358 294 HD21 LEU 36 HD21 LEU 36 -2.048 -4.405 3.026 295 HD22 LEU 36 HD22 LEU 36 -2.757 -3.133 4.022 296 HD23 LEU 36 HD23 LEU 36 -2.604 -2.906 2.280 297 H LEU 37 H LEU 37 -7.977 -2.901 4.047 298 HA LEU 37 HA LEU 37 -8.865 -0.528 2.880 299 HB2 LEU 37 HB2 LEU 37 -10.331 -2.382 4.758 300 HB3 LEU 37 HB3 LEU 37 -11.088 -1.160 3.756 301 HG LEU 37 HG LEU 37 -9.573 -3.562 2.730 302 HD11 LEU 37 HD11 LEU 37 -11.766 -4.363 2.011 303 HD12 LEU 37 HD12 LEU 37 -12.529 -2.976 2.788 304 HD13 LEU 37 HD13 LEU 37 -11.688 -4.181 3.763 305 HD21 LEU 37 HD21 LEU 37 -11.146 -1.444 1.267 306 HD22 LEU 37 HD22 LEU 37 -10.449 -2.893 0.542 307 HD23 LEU 37 HD23 LEU 37 -9.395 -1.655 1.227 308 H GLN 38 H GLN 38 -8.038 -1.233 6.198 309 HA GLN 38 HA GLN 38 -9.515 1.043 7.271 310 HB2 GLN 38 HB2 GLN 38 -7.560 -0.850 8.597 311 HB3 GLN 38 HB3 GLN 38 -8.467 0.414 9.417 312 HG2 GLN 38 HG2 GLN 38 -10.557 -0.706 8.840 313 HG3 GLN 38 HG3 GLN 38 -9.651 -1.972 8.014 314 HE21 GLN 38 HE21 GLN 38 -10.524 -0.603 11.083 315 HE22 GLN 38 HE22 GLN 38 -9.995 -1.929 12.057 316 H ARG 39 H ARG 39 -6.177 -0.064 6.875 317 HA ARG 39 HA ARG 39 -4.789 2.141 7.595 318 HB2 ARG 39 HB2 ARG 39 -4.189 0.409 5.200 319 HB3 ARG 39 HB3 ARG 39 -3.030 1.398 6.082 320 HG2 ARG 39 HG2 ARG 39 -4.581 -0.704 7.493 321 HG3 ARG 39 HG3 ARG 39 -3.167 -1.138 6.535 322 HD2 ARG 39 HD2 ARG 39 -1.763 0.288 7.852 323 HD3 ARG 39 HD3 ARG 39 -3.155 0.948 8.705 324 HE ARG 39 HE ARG 39 -2.844 -1.902 8.981 325 HH11 ARG 39 HH11 ARG 39 -1.983 1.224 10.259 326 HH12 ARG 39 HH12 ARG 39 -1.620 0.619 11.840 327 HH21 ARG 39 HH21 ARG 39 -2.367 -2.706 11.060 328 HH22 ARG 39 HH22 ARG 39 -1.837 -1.614 12.296 329 H CYS 40 H CYS 40 -6.422 1.584 4.552 330 HA CYS 40 HA CYS 40 -5.409 3.704 3.038 331 HB2 CYS 40 HB2 CYS 40 -6.778 1.974 2.025 332 HB3 CYS 40 HB3 CYS 40 -8.163 2.457 2.996 333 HG CYS 40 HG CYS 40 -8.182 5.075 1.753 334 H ALA 41 H ALA 41 -7.968 3.613 5.446 335 HA ALA 41 HA ALA 41 -8.929 6.188 5.107 336 HB1 ALA 41 HB1 ALA 41 -9.844 5.997 7.355 337 HB2 ALA 41 HB2 ALA 41 -8.783 4.627 7.683 338 HB3 ALA 41 HB3 ALA 41 -10.050 4.489 6.464 339 H GLN 42 H GLN 42 -5.822 5.772 5.505 340 HA GLN 42 HA GLN 42 -5.466 7.754 7.621 341 HB2 GLN 42 HB2 GLN 42 -4.363 5.654 8.291 342 HB3 GLN 42 HB3 GLN 42 -3.476 5.635 6.773 343 HG2 GLN 42 HG2 GLN 42 -2.352 7.708 7.400 344 HG3 GLN 42 HG3 GLN 42 -3.242 7.730 8.922 345 HE21 GLN 42 HE21 GLN 42 -2.724 6.245 10.527 346 HE22 GLN 42 HE22 GLN 42 -1.242 5.357 10.515 347 H LYS 43 H LYS 43 -4.868 6.572 4.432 348 HA LYS 43 HA LYS 43 -2.883 8.202 3.447 349 HB2 LYS 43 HB2 LYS 43 -4.132 6.332 2.276 350 HB3 LYS 43 HB3 LYS 43 -5.389 7.509 1.925 351 HG2 LYS 43 HG2 LYS 43 -4.260 8.297 0.191 352 HG3 LYS 43 HG3 LYS 43 -2.802 8.519 1.164 353 HD2 LYS 43 HD2 LYS 43 -2.261 6.153 0.884 354 HD3 LYS 43 HD3 LYS 43 -3.710 5.940 -0.101 355 HE2 LYS 43 HE2 LYS 43 -1.352 7.701 -0.750 356 HE3 LYS 43 HE3 LYS 43 -1.738 6.153 -1.503 357 HZ1 LYS 43 HZ1 LYS 43 -3.418 8.602 -1.624 358 HZ2 LYS 43 HZ2 LYS 43 -3.787 7.120 -2.348 359 HZ3 LYS 43 HZ3 LYS 43 -2.449 8.008 -2.877 360 H SER 44 H SER 44 -6.354 8.838 3.004 361 HA SER 44 HA SER 44 -5.749 11.717 2.973 362 HB2 SER 44 HB2 SER 44 -6.636 10.892 0.847 363 HB3 SER 44 HB3 SER 44 -8.035 10.212 1.677 364 HG SER 44 HG SER 44 -7.384 12.904 1.196 365 HA PRO 45 HA PRO 45 -8.100 11.708 6.802 366 HB2 PRO 45 HB2 PRO 45 -7.829 14.623 6.691 367 HB3 PRO 45 HB3 PRO 45 -7.194 13.486 7.882 368 HG2 PRO 45 HG2 PRO 45 -5.595 14.783 6.140 369 HG3 PRO 45 HG3 PRO 45 -5.241 13.142 6.711 370 HD2 PRO 45 HD2 PRO 45 -6.451 14.027 4.114 371 HD3 PRO 45 HD3 PRO 45 -5.234 12.768 4.420 372 H ARG 46 H ARG 46 -9.120 12.516 3.837 373 HA ARG 46 HA ARG 46 -11.550 13.905 4.746 374 HB2 ARG 46 HB2 ARG 46 -10.252 15.050 2.968 375 HB3 ARG 46 HB3 ARG 46 -10.472 13.647 1.932 376 HG2 ARG 46 HG2 ARG 46 -12.886 13.997 1.957 377 HG3 ARG 46 HG3 ARG 46 -12.674 15.396 3.012 378 HD2 ARG 46 HD2 ARG 46 -12.968 16.091 0.696 379 HD3 ARG 46 HD3 ARG 46 -11.356 16.505 1.278 380 HE ARG 46 HE ARG 46 -11.200 14.014 0.037 381 HH11 ARG 46 HH11 ARG 46 -11.871 17.328 -0.804 382 HH12 ARG 46 HH12 ARG 46 -11.276 17.172 -2.423 383 HH21 ARG 46 HH21 ARG 46 -10.415 13.800 -2.092 384 HH22 ARG 46 HH22 ARG 46 -10.449 15.166 -3.156 385 H VAL 47 H VAL 47 -10.341 10.911 3.849 386 HA VAL 47 HA VAL 47 -12.290 9.725 2.295 387 HB VAL 47 HB VAL 47 -11.674 7.586 3.337 388 HG11 VAL 47 HG11 VAL 47 -9.370 9.443 2.761 389 HG12 VAL 47 HG12 VAL 47 -10.229 8.421 1.609 390 HG13 VAL 47 HG13 VAL 47 -9.234 7.689 2.868 391 HG21 VAL 47 HG21 VAL 47 -10.119 9.294 5.278 392 HG22 VAL 47 HG22 VAL 47 -10.018 7.539 5.154 393 HG23 VAL 47 HG23 VAL 47 -11.527 8.301 5.653 394 H ALA 48 H ALA 48 -14.223 8.665 2.687 395 HA ALA 48 HA ALA 48 -15.535 9.381 5.218 396 HB1 ALA 48 HB1 ALA 48 -16.775 8.624 2.574 397 HB2 ALA 48 HB2 ALA 48 -16.580 10.266 3.188 398 HB3 ALA 48 HB3 ALA 48 -17.644 9.132 4.022 399 HA PRO 49 HA PRO 49 -15.848 5.238 6.687 400 HB2 PRO 49 HB2 PRO 49 -18.759 5.726 7.053 401 HB3 PRO 49 HB3 PRO 49 -17.552 5.186 8.226 402 HG2 PRO 49 HG2 PRO 49 -18.483 7.680 8.287 403 HG3 PRO 49 HG3 PRO 49 -16.772 7.337 8.613 404 HD2 PRO 49 HD2 PRO 49 -18.048 8.453 6.152 405 HD3 PRO 49 HD3 PRO 49 -16.494 8.864 6.904 406 H GLY 50 H GLY 50 -18.779 6.118 4.839 407 HA2 GLY 50 HA2 GLY 50 -18.963 3.454 3.756 408 HA3 GLY 50 HA3 GLY 50 -20.045 4.796 3.421 409 H SER 51 H SER 51 -16.562 4.230 2.922 410 HA SER 51 HA SER 51 -16.964 4.569 0.042 411 HB2 SER 51 HB2 SER 51 -14.955 6.137 1.677 412 HB3 SER 51 HB3 SER 51 -15.035 6.123 -0.084 413 HG SER 51 HG SER 51 -16.136 7.915 0.897 414 H ALA 52 H ALA 52 -16.091 2.872 -0.926 415 HA ALA 52 HA ALA 52 -13.479 1.901 -0.028 416 HB1 ALA 52 HB1 ALA 52 -15.135 0.480 1.080 417 HB2 ALA 52 HB2 ALA 52 -14.195 -0.424 -0.108 418 HB3 ALA 52 HB3 ALA 52 -15.842 0.083 -0.487 419 HA PRO 53 HA PRO 53 -13.537 2.479 -4.610 420 HB2 PRO 53 HB2 PRO 53 -10.631 2.686 -4.088 421 HB3 PRO 53 HB3 PRO 53 -11.690 3.768 -4.998 422 HG2 PRO 53 HG2 PRO 53 -10.743 4.461 -2.597 423 HG3 PRO 53 HG3 PRO 53 -12.387 4.897 -3.101 424 HD2 PRO 53 HD2 PRO 53 -11.484 2.708 -1.269 425 HD3 PRO 53 HD3 PRO 53 -12.883 3.794 -1.124 426 HA PRO 54 HA PRO 54 -12.422 -1.569 -5.977 427 HB2 PRO 54 HB2 PRO 54 -10.578 -0.310 -7.951 428 HB3 PRO 54 HB3 PRO 54 -11.876 -1.480 -8.210 429 HG2 PRO 54 HG2 PRO 54 -12.205 1.080 -8.862 430 HG3 PRO 54 HG3 PRO 54 -13.531 0.140 -8.150 431 HD2 PRO 54 HD2 PRO 54 -11.781 2.204 -6.894 432 HD3 PRO 54 HD3 PRO 54 -13.498 1.857 -6.616 433 H TRP 55 H TRP 55 -11.223 -2.467 -4.344 434 HA TRP 55 HA TRP 55 -8.376 -1.881 -4.262 435 HB2 TRP 55 HB2 TRP 55 -10.368 -2.745 -2.313 436 HB3 TRP 55 HB3 TRP 55 -8.845 -3.625 -2.188 437 HD1 TRP 55 HD1 TRP 55 -10.121 0.027 -2.211 438 HE1 TRP 55 HE1 TRP 55 -8.480 1.457 -0.838 439 HE3 TRP 55 HE3 TRP 55 -6.615 -3.552 -1.135 440 HZ2 TRP 55 HZ2 TRP 55 -6.022 1.109 0.510 441 HZ3 TRP 55 HZ3 TRP 55 -4.667 -2.908 0.187 442 HH2 TRP 55 HH2 TRP 55 -4.379 -0.636 1.006 443 HA PRO 56 HA PRO 56 -8.791 -6.863 -4.762 444 HB2 PRO 56 HB2 PRO 56 -10.588 -6.446 -7.118 445 HB3 PRO 56 HB3 PRO 56 -10.477 -7.828 -6.020 446 HG2 PRO 56 HG2 PRO 56 -12.451 -6.067 -5.771 447 HG3 PRO 56 HG3 PRO 56 -11.664 -6.755 -4.338 448 HD2 PRO 56 HD2 PRO 56 -11.410 -4.036 -5.518 449 HD3 PRO 56 HD3 PRO 56 -11.297 -4.549 -3.823 450 H ALA 57 H ALA 57 -8.521 -4.137 -6.861 451 HA ALA 57 HA ALA 57 -7.241 -5.188 -9.061 452 HB1 ALA 57 HB1 ALA 57 -6.295 -2.977 -9.413 453 HB2 ALA 57 HB2 ALA 57 -6.674 -2.538 -7.747 454 HB3 ALA 57 HB3 ALA 57 -7.976 -2.863 -8.891 455 H LEU 58 H LEU 58 -6.089 -5.100 -5.851 456 HA LEU 58 HA LEU 58 -3.322 -4.768 -6.256 457 HB2 LEU 58 HB2 LEU 58 -3.184 -6.188 -4.102 458 HB3 LEU 58 HB3 LEU 58 -3.905 -4.593 -4.044 459 HG LEU 58 HG LEU 58 -6.159 -5.754 -4.246 460 HD11 LEU 58 HD11 LEU 58 -5.963 -8.132 -3.205 461 HD12 LEU 58 HD12 LEU 58 -4.355 -8.105 -3.931 462 HD13 LEU 58 HD13 LEU 58 -5.784 -7.909 -4.943 463 HD21 LEU 58 HD21 LEU 58 -4.450 -6.245 -1.814 464 HD22 LEU 58 HD22 LEU 58 -6.213 -6.276 -1.853 465 HD23 LEU 58 HD23 LEU 58 -5.349 -4.773 -2.179 466 H ARG 59 H ARG 59 -5.396 -7.609 -6.524 467 HA ARG 59 HA ARG 59 -3.529 -9.539 -6.796 468 HB2 ARG 59 HB2 ARG 59 -6.030 -9.287 -8.481 469 HB3 ARG 59 HB3 ARG 59 -5.129 -10.770 -8.204 470 HG2 ARG 59 HG2 ARG 59 -5.655 -10.663 -5.828 471 HG3 ARG 59 HG3 ARG 59 -6.535 -9.155 -6.086 472 HD2 ARG 59 HD2 ARG 59 -8.086 -10.328 -7.581 473 HD3 ARG 59 HD3 ARG 59 -7.214 -11.833 -7.296 474 HE ARG 59 HE ARG 59 -7.961 -10.858 -4.813 475 HH11 ARG 59 HH11 ARG 59 -9.522 -11.965 -7.725 476 HH12 ARG 59 HH12 ARG 59 -10.933 -12.541 -6.903 477 HH21 ARG 59 HH21 ARG 59 -9.815 -11.616 -3.722 478 HH22 ARG 59 HH22 ARG 59 -11.100 -12.343 -4.628 479 H SER 60 H SER 60 -4.811 -7.589 -9.477 480 HA SER 60 HA SER 60 -3.168 -8.429 -11.446 481 HB2 SER 60 HB2 SER 60 -4.094 -5.576 -11.020 482 HB3 SER 60 HB3 SER 60 -3.519 -6.244 -12.547 483 HG SER 60 HG SER 60 -5.652 -6.506 -12.701 484 H LEU 61 H LEU 61 -2.325 -6.351 -8.792 485 HA LEU 61 HA LEU 61 0.076 -5.296 -9.943 486 HB2 LEU 61 HB2 LEU 61 -1.114 -5.321 -7.203 487 HB3 LEU 61 HB3 LEU 61 0.573 -4.886 -7.409 488 HG LEU 61 HG LEU 61 -0.320 -3.188 -9.157 489 HD11 LEU 61 HD11 LEU 61 -2.611 -4.076 -9.194 490 HD12 LEU 61 HD12 LEU 61 -2.552 -2.373 -8.740 491 HD13 LEU 61 HD13 LEU 61 -2.802 -3.605 -7.505 492 HD21 LEU 61 HD21 LEU 61 -0.810 -2.788 -6.215 493 HD22 LEU 61 HD22 LEU 61 -0.566 -1.522 -7.418 494 HD23 LEU 61 HD23 LEU 61 0.746 -2.635 -7.029 495 H LEU 62 H LEU 62 -0.726 -8.059 -7.880 496 HA LEU 62 HA LEU 62 1.838 -8.851 -7.112 497 HB2 LEU 62 HB2 LEU 62 -0.456 -10.642 -7.917 498 HB3 LEU 62 HB3 LEU 62 0.910 -11.100 -6.925 499 HG LEU 62 HG LEU 62 -0.964 -8.928 -6.038 500 HD11 LEU 62 HD11 LEU 62 -2.325 -10.900 -6.562 501 HD12 LEU 62 HD12 LEU 62 -2.252 -10.597 -4.827 502 HD13 LEU 62 HD13 LEU 62 -1.281 -11.885 -5.539 503 HD21 LEU 62 HD21 LEU 62 0.727 -10.893 -4.498 504 HD22 LEU 62 HD22 LEU 62 -0.175 -9.528 -3.841 505 HD23 LEU 62 HD23 LEU 62 1.214 -9.248 -4.890 506 H HIS 63 H HIS 63 -0.020 -9.406 -10.028 507 HA HIS 63 HA HIS 63 1.740 -11.045 -11.384 508 HB2 HIS 63 HB2 HIS 63 -0.586 -10.598 -12.068 509 HB3 HIS 63 HB3 HIS 63 -0.133 -8.961 -12.524 510 HD1 HIS 63 HD1 HIS 63 -0.102 -12.459 -13.726 511 HD2 HIS 63 HD2 HIS 63 1.465 -8.789 -14.885 512 HE1 HIS 63 HE1 HIS 63 0.650 -12.771 -16.104 513 HE2 HIS 63 HE2 HIS 63 1.520 -10.514 -16.811 514 H ARG 64 H ARG 64 1.660 -7.514 -11.142 515 HA ARG 64 HA ARG 64 3.798 -7.158 -12.989 516 HB2 ARG 64 HB2 ARG 64 2.693 -5.242 -10.927 517 HB3 ARG 64 HB3 ARG 64 3.730 -4.816 -12.281 518 HG2 ARG 64 HG2 ARG 64 1.951 -5.659 -13.811 519 HG3 ARG 64 HG3 ARG 64 0.909 -5.848 -12.400 520 HD2 ARG 64 HD2 ARG 64 1.154 -3.452 -11.918 521 HD3 ARG 64 HD3 ARG 64 2.165 -3.275 -13.352 522 HE ARG 64 HE ARG 64 -0.612 -4.222 -13.570 523 HH11 ARG 64 HH11 ARG 64 1.911 -1.965 -14.394 524 HH12 ARG 64 HH12 ARG 64 0.978 -1.171 -15.618 525 HH21 ARG 64 HH21 ARG 64 -1.848 -3.182 -15.180 526 HH22 ARG 64 HH22 ARG 64 -1.158 -1.862 -16.065 527 H ASN 65 H ASN 65 3.682 -8.214 -9.818 528 HA ASN 65 HA ASN 65 5.350 -8.906 -8.427 529 HB2 ASN 65 HB2 ASN 65 7.246 -7.753 -10.480 530 HB3 ASN 65 HB3 ASN 65 7.715 -8.719 -9.085 531 HD21 ASN 65 HD21 ASN 65 5.343 -10.435 -9.340 532 HD22 ASN 65 HD22 ASN 65 5.674 -11.491 -10.667 533 H LEU 66 H LEU 66 4.049 -6.254 -8.427 534 HA LEU 66 HA LEU 66 6.107 -4.582 -7.179 535 HB2 LEU 66 HB2 LEU 66 3.222 -3.829 -7.447 536 HB3 LEU 66 HB3 LEU 66 4.611 -2.780 -7.297 537 HG LEU 66 HG LEU 66 3.577 -4.192 -9.727 538 HD11 LEU 66 HD11 LEU 66 2.876 -1.896 -9.243 539 HD12 LEU 66 HD12 LEU 66 3.845 -1.991 -10.714 540 HD13 LEU 66 HD13 LEU 66 4.568 -1.394 -9.220 541 HD21 LEU 66 HD21 LEU 66 5.940 -4.815 -9.604 542 HD22 LEU 66 HD22 LEU 66 6.374 -3.119 -9.409 543 HD23 LEU 66 HD23 LEU 66 5.643 -3.672 -10.913 544 H VAL 67 H VAL 67 3.469 -6.631 -6.462 545 HA VAL 67 HA VAL 67 3.818 -6.111 -3.587 546 HB VAL 67 HB VAL 67 1.387 -6.788 -3.339 547 HG11 VAL 67 HG11 VAL 67 1.936 -4.238 -4.853 548 HG12 VAL 67 HG12 VAL 67 2.148 -4.465 -3.117 549 HG13 VAL 67 HG13 VAL 67 0.538 -4.560 -3.829 550 HG21 VAL 67 HG21 VAL 67 1.238 -6.105 -6.262 551 HG22 VAL 67 HG22 VAL 67 -0.070 -6.653 -5.212 552 HG23 VAL 67 HG23 VAL 67 1.242 -7.752 -5.638 553 H LEU 68 H LEU 68 3.161 -8.005 -2.237 554 HA LEU 68 HA LEU 68 3.795 -10.518 -3.647 555 HB2 LEU 68 HB2 LEU 68 5.551 -9.668 -2.057 556 HB3 LEU 68 HB3 LEU 68 4.386 -9.872 -0.765 557 HG LEU 68 HG LEU 68 4.269 -12.301 -1.310 558 HD11 LEU 68 HD11 LEU 68 6.588 -11.648 -3.121 559 HD12 LEU 68 HD12 LEU 68 4.990 -12.192 -3.630 560 HD13 LEU 68 HD13 LEU 68 6.032 -13.267 -2.701 561 HD21 LEU 68 HD21 LEU 68 7.001 -11.229 -0.626 562 HD22 LEU 68 HD22 LEU 68 6.421 -12.863 -0.302 563 HD23 LEU 68 HD23 LEU 68 5.671 -11.485 0.504 564 H ARG 69 H ARG 69 2.595 -12.336 -3.158 565 HA ARG 69 HA ARG 69 0.239 -11.885 -1.444 566 HB2 ARG 69 HB2 ARG 69 -0.828 -13.715 -2.904 567 HB3 ARG 69 HB3 ARG 69 -0.685 -12.097 -3.576 568 HG2 ARG 69 HG2 ARG 69 1.014 -12.706 -5.020 569 HG3 ARG 69 HG3 ARG 69 1.423 -14.151 -4.093 570 HD2 ARG 69 HD2 ARG 69 -0.707 -15.164 -4.752 571 HD3 ARG 69 HD3 ARG 69 -1.105 -13.720 -5.682 572 HE ARG 69 HE ARG 69 1.369 -14.735 -6.555 573 HH11 ARG 69 HH11 ARG 69 -2.030 -15.499 -6.622 574 HH12 ARG 69 HH12 ARG 69 -1.933 -16.387 -8.105 575 HH21 ARG 69 HH21 ARG 69 1.506 -15.903 -8.508 576 HH22 ARG 69 HH22 ARG 69 0.077 -16.617 -9.178 577 H THR 70 H THR 70 -0.424 -13.566 -0.093 578 HA THR 70 HA THR 70 1.360 -15.892 0.034 579 HB THR 70 HB THR 70 1.503 -15.817 2.375 580 HG1 THR 70 HG1 THR 70 -0.267 -15.199 3.345 581 HG21 THR 70 HG21 THR 70 1.709 -12.994 1.341 582 HG22 THR 70 HG22 THR 70 2.974 -14.222 1.302 583 HG23 THR 70 HG23 THR 70 2.413 -13.581 2.847 584 H HIS 71 H HIS 71 0.336 -17.169 2.108 585 HA HIS 71 HA HIS 71 -1.195 -19.134 1.343 586 HB2 HIS 71 HB2 HIS 71 -0.587 -17.834 3.763 587 HB3 HIS 71 HB3 HIS 71 -2.294 -18.219 3.830 588 HD1 HIS 71 HD1 HIS 71 -2.634 -20.957 2.969 589 HD2 HIS 71 HD2 HIS 71 0.893 -19.753 4.807 590 HE1 HIS 71 HE1 HIS 71 -1.581 -23.070 3.842 591 HE2 HIS 71 HE2 HIS 71 0.499 -22.305 5.043 592 H GLN 72 H GLN 72 -3.025 -16.548 3.022 593 HA GLN 72 HA GLN 72 -4.712 -15.284 1.462 594 HB2 GLN 72 HB2 GLN 72 -5.055 -17.232 0.014 595 HB3 GLN 72 HB3 GLN 72 -5.653 -18.150 1.389 596 HG2 GLN 72 HG2 GLN 72 -7.531 -16.612 1.608 597 HG3 GLN 72 HG3 GLN 72 -6.927 -15.676 0.242 598 HE21 GLN 72 HE21 GLN 72 -7.083 -16.523 -1.834 599 HE22 GLN 72 HE22 GLN 72 -8.123 -17.850 -2.209 600 HA PRO 73 HA PRO 73 -6.461 -13.696 1.955 601 HB2 PRO 73 HB2 PRO 73 -5.548 -12.190 4.363 602 HB3 PRO 73 HB3 PRO 73 -6.869 -11.829 3.245 603 HG2 PRO 73 HG2 PRO 73 -7.385 -12.815 5.655 604 HG3 PRO 73 HG3 PRO 73 -8.304 -13.361 4.239 605 HD2 PRO 73 HD2 PRO 73 -6.116 -14.744 5.729 606 HD3 PRO 73 HD3 PRO 73 -7.575 -15.422 4.980 607 H ALA 74 H ALA 74 -4.849 -13.137 0.571 608 HA ALA 74 HA ALA 74 -2.210 -14.081 1.010 609 HB1 ALA 74 HB1 ALA 74 -1.719 -13.025 -1.116 610 HB2 ALA 74 HB2 ALA 74 -3.271 -12.189 -1.081 611 HB3 ALA 74 HB3 ALA 74 -3.220 -13.946 -1.219 612 H ARG 75 H ARG 75 -1.045 -13.169 2.566 613 HA ARG 75 HA ARG 75 -1.220 -10.502 3.445 614 HB2 ARG 75 HB2 ARG 75 1.225 -12.295 3.503 615 HB3 ARG 75 HB3 ARG 75 0.913 -10.917 4.547 616 HG2 ARG 75 HG2 ARG 75 -0.622 -12.051 5.824 617 HG3 ARG 75 HG3 ARG 75 -1.032 -13.174 4.527 618 HD2 ARG 75 HD2 ARG 75 0.899 -14.464 4.875 619 HD3 ARG 75 HD3 ARG 75 1.685 -13.186 5.811 620 HE ARG 75 HE ARG 75 -0.620 -13.934 7.179 621 HH11 ARG 75 HH11 ARG 75 2.417 -15.345 6.216 622 HH12 ARG 75 HH12 ARG 75 2.483 -16.436 7.559 623 HH21 ARG 75 HH21 ARG 75 -0.541 -15.369 8.952 624 HH22 ARG 75 HH22 ARG 75 0.802 -16.451 9.114 625 H TYR 76 H TYR 76 -0.671 -8.684 2.332 626 HA TYR 76 HA TYR 76 1.069 -8.985 0.082 627 HB2 TYR 76 HB2 TYR 76 -0.629 -6.665 0.972 628 HB3 TYR 76 HB3 TYR 76 0.293 -6.710 -0.529 629 HD1 TYR 76 HD1 TYR 76 -0.152 -8.842 -2.022 630 HD2 TYR 76 HD2 TYR 76 -2.851 -7.348 0.907 631 HE1 TYR 76 HE1 TYR 76 -1.996 -10.029 -3.134 632 HE2 TYR 76 HE2 TYR 76 -4.706 -8.531 -0.194 633 HH TYR 76 HH TYR 76 -5.279 -9.462 -2.352 634 H SER 77 H SER 77 2.973 -8.088 -0.329 635 HA SER 77 HA SER 77 4.195 -6.416 1.696 636 HB2 SER 77 HB2 SER 77 5.514 -8.966 0.738 637 HB3 SER 77 HB3 SER 77 6.265 -7.746 1.767 638 HG SER 77 HG SER 77 5.166 -9.727 2.730 639 H LEU 78 H LEU 78 5.234 -4.774 0.724 640 HA LEU 78 HA LEU 78 5.337 -4.347 -1.948 641 HB2 LEU 78 HB2 LEU 78 6.992 -3.298 0.307 642 HB3 LEU 78 HB3 LEU 78 7.388 -2.836 -1.334 643 HG LEU 78 HG LEU 78 4.836 -2.260 0.155 644 HD11 LEU 78 HD11 LEU 78 6.896 -0.440 -1.071 645 HD12 LEU 78 HD12 LEU 78 6.824 -0.867 0.637 646 HD13 LEU 78 HD13 LEU 78 5.502 0.034 -0.102 647 HD21 LEU 78 HD21 LEU 78 4.211 -1.012 -1.916 648 HD22 LEU 78 HD22 LEU 78 4.190 -2.766 -2.088 649 HD23 LEU 78 HD23 LEU 78 5.535 -1.830 -2.741 650 H THR 79 H THR 79 6.389 -5.478 -3.558 651 HA THR 79 HA THR 79 8.877 -6.728 -3.046 652 HB THR 79 HB THR 79 8.396 -6.569 -5.848 653 HG1 THR 79 HG1 THR 79 6.187 -7.414 -5.778 654 HG21 THR 79 HG21 THR 79 7.948 -8.957 -5.632 655 HG22 THR 79 HG22 THR 79 7.737 -8.774 -3.891 656 HG23 THR 79 HG23 THR 79 9.319 -8.503 -4.621 657 HA PRO 80 HA PRO 80 12.101 -3.976 -4.462 658 HB2 PRO 80 HB2 PRO 80 11.880 -5.032 -7.261 659 HB3 PRO 80 HB3 PRO 80 13.324 -4.673 -6.311 660 HG2 PRO 80 HG2 PRO 80 12.499 -7.176 -6.564 661 HG3 PRO 80 HG3 PRO 80 13.101 -6.588 -5.003 662 HD2 PRO 80 HD2 PRO 80 10.316 -7.171 -5.865 663 HD3 PRO 80 HD3 PRO 80 11.048 -7.286 -4.252 664 H GLU 81 H GLU 81 9.717 -4.244 -7.129 665 HA GLU 81 HA GLU 81 10.198 -1.545 -7.998 666 HB2 GLU 81 HB2 GLU 81 7.956 -3.458 -8.662 667 HB3 GLU 81 HB3 GLU 81 8.254 -1.923 -9.462 668 HG2 GLU 81 HG2 GLU 81 10.448 -2.769 -10.197 669 HG3 GLU 81 HG3 GLU 81 10.061 -4.324 -9.462 670 H GLY 82 H GLY 82 7.926 -3.181 -5.856 671 HA2 GLY 82 HA2 GLY 82 6.067 -0.960 -5.728 672 HA3 GLY 82 HA3 GLY 82 6.076 -2.376 -4.695 673 H LEU 83 H LEU 83 8.992 -1.978 -4.198 674 HA LEU 83 HA LEU 83 8.731 -0.448 -1.807 675 HB2 LEU 83 HB2 LEU 83 10.473 -2.375 -2.740 676 HB3 LEU 83 HB3 LEU 83 11.453 -0.925 -2.766 677 HG LEU 83 HG LEU 83 11.759 -2.128 -0.674 678 HD11 LEU 83 HD11 LEU 83 10.216 0.435 -0.319 679 HD12 LEU 83 HD12 LEU 83 11.951 0.287 -0.602 680 HD13 LEU 83 HD13 LEU 83 11.247 -0.319 0.898 681 HD21 LEU 83 HD21 LEU 83 9.936 -2.390 0.916 682 HD22 LEU 83 HD22 LEU 83 9.581 -3.238 -0.590 683 HD23 LEU 83 HD23 LEU 83 8.809 -1.689 -0.245 684 H GLU 84 H GLU 84 10.690 0.001 -4.753 685 HA GLU 84 HA GLU 84 11.409 2.599 -4.234 686 HB2 GLU 84 HB2 GLU 84 10.914 1.464 -6.993 687 HB3 GLU 84 HB3 GLU 84 11.979 2.801 -6.580 688 HG2 GLU 84 HG2 GLU 84 13.377 1.249 -5.282 689 HG3 GLU 84 HG3 GLU 84 12.329 -0.073 -5.789 690 H LEU 85 H LEU 85 8.534 1.394 -5.843 691 HA LEU 85 HA LEU 85 7.644 3.885 -6.919 692 HB2 LEU 85 HB2 LEU 85 6.918 1.659 -7.743 693 HB3 LEU 85 HB3 LEU 85 6.093 1.390 -6.222 694 HG LEU 85 HG LEU 85 5.356 3.795 -7.830 695 HD11 LEU 85 HD11 LEU 85 5.383 1.979 -9.463 696 HD12 LEU 85 HD12 LEU 85 3.733 2.477 -9.092 697 HD13 LEU 85 HD13 LEU 85 4.385 0.995 -8.392 698 HD21 LEU 85 HD21 LEU 85 3.845 1.887 -6.049 699 HD22 LEU 85 HD22 LEU 85 3.146 3.285 -6.865 700 HD23 LEU 85 HD23 LEU 85 4.383 3.513 -5.630 701 H ALA 86 H ALA 86 7.122 2.059 -3.940 702 HA ALA 86 HA ALA 86 5.071 3.701 -2.880 703 HB1 ALA 86 HB1 ALA 86 5.552 1.443 -2.042 704 HB2 ALA 86 HB2 ALA 86 5.549 2.646 -0.754 705 HB3 ALA 86 HB3 ALA 86 7.078 2.026 -1.376 706 H GLN 87 H GLN 87 8.601 3.874 -2.696 707 HA GLN 87 HA GLN 87 8.775 5.834 -0.656 708 HB2 GLN 87 HB2 GLN 87 10.603 5.207 -2.983 709 HB3 GLN 87 HB3 GLN 87 10.996 6.365 -1.720 710 HG2 GLN 87 HG2 GLN 87 10.883 4.591 -0.051 711 HG3 GLN 87 HG3 GLN 87 10.477 3.429 -1.313 712 HE21 GLN 87 HE21 GLN 87 12.060 2.780 -2.767 713 HE22 GLN 87 HE22 GLN 87 13.742 3.048 -2.478 714 H LYS 88 H LYS 88 8.473 6.007 -4.162 715 HA LYS 88 HA LYS 88 8.447 8.722 -4.442 716 HB2 LYS 88 HB2 LYS 88 6.713 6.879 -6.082 717 HB3 LYS 88 HB3 LYS 88 7.502 8.364 -6.589 718 HG2 LYS 88 HG2 LYS 88 9.684 7.291 -6.366 719 HG3 LYS 88 HG3 LYS 88 8.900 5.813 -5.828 720 HD2 LYS 88 HD2 LYS 88 7.682 5.761 -8.016 721 HD3 LYS 88 HD3 LYS 88 8.703 7.102 -8.540 722 HE2 LYS 88 HE2 LYS 88 10.697 5.725 -8.160 723 HE3 LYS 88 HE3 LYS 88 9.676 4.383 -7.644 724 HZ1 LYS 88 HZ1 LYS 88 10.365 4.146 -9.948 725 HZ2 LYS 88 HZ2 LYS 88 9.657 5.631 -10.342 726 HZ3 LYS 88 HZ3 LYS 88 8.686 4.337 -9.848 727 H LEU 89 H LEU 89 5.685 6.588 -3.813 728 HA LEU 89 HA LEU 89 3.647 8.551 -4.067 729 HB2 LEU 89 HB2 LEU 89 3.887 5.833 -2.842 730 HB3 LEU 89 HB3 LEU 89 2.470 6.813 -2.524 731 HG LEU 89 HG LEU 89 1.838 6.796 -4.808 732 HD11 LEU 89 HD11 LEU 89 3.126 5.811 -6.586 733 HD12 LEU 89 HD12 LEU 89 4.404 5.382 -5.452 734 HD13 LEU 89 HD13 LEU 89 4.066 7.077 -5.795 735 HD21 LEU 89 HD21 LEU 89 1.235 4.806 -3.589 736 HD22 LEU 89 HD22 LEU 89 2.789 4.067 -3.977 737 HD23 LEU 89 HD23 LEU 89 1.619 4.384 -5.257 738 H ALA 90 H ALA 90 5.843 7.501 -1.608 739 HA ALA 90 HA ALA 90 4.608 8.746 0.586 740 HB1 ALA 90 HB1 ALA 90 7.524 8.073 0.225 741 HB2 ALA 90 HB2 ALA 90 6.276 6.959 0.782 742 HB3 ALA 90 HB3 ALA 90 6.699 8.368 1.756 743 H GLU 91 H GLU 91 6.917 9.913 -1.769 744 HA GLU 91 HA GLU 91 7.829 12.211 -0.556 745 HB2 GLU 91 HB2 GLU 91 7.049 12.155 -3.463 746 HB3 GLU 91 HB3 GLU 91 8.357 13.058 -2.708 747 HG2 GLU 91 HG2 GLU 91 9.545 10.994 -2.257 748 HG3 GLU 91 HG3 GLU 91 8.214 10.075 -2.956 749 H SER 92 H SER 92 4.941 11.844 -2.561 750 HA SER 92 HA SER 92 3.924 14.371 -2.306 751 HB2 SER 92 HB2 SER 92 3.068 12.684 -3.866 752 HB3 SER 92 HB3 SER 92 2.384 11.775 -2.519 753 HG SER 92 HG SER 92 1.330 13.848 -3.852 754 H GLU 93 H GLU 93 3.963 11.862 0.081 755 HA GLU 93 HA GLU 93 1.869 13.150 1.684 756 HB2 GLU 93 HB2 GLU 93 3.391 10.638 2.357 757 HB3 GLU 93 HB3 GLU 93 1.867 11.192 3.029 758 HG2 GLU 93 HG2 GLU 93 2.221 10.384 0.160 759 HG3 GLU 93 HG3 GLU 93 1.706 9.284 1.436 760 H GLY 94 H GLY 94 5.186 13.159 1.189 761 HA2 GLY 94 HA2 GLY 94 6.670 14.674 2.271 762 HA3 GLY 94 HA3 GLY 94 5.549 14.751 3.630 763 H LEU 95 H LEU 95 5.573 11.654 2.709 764 HA LEU 95 HA LEU 95 6.471 9.718 3.446 765 HB2 LEU 95 HB2 LEU 95 8.633 11.239 2.705 766 HB3 LEU 95 HB3 LEU 95 9.034 10.797 4.355 767 HG LEU 95 HG LEU 95 8.649 9.016 1.973 768 HD11 LEU 95 HD11 LEU 95 10.803 9.233 4.068 769 HD12 LEU 95 HD12 LEU 95 10.883 9.851 2.418 770 HD13 LEU 95 HD13 LEU 95 10.797 8.114 2.705 771 HD21 LEU 95 HD21 LEU 95 8.544 8.176 4.867 772 HD22 LEU 95 HD22 LEU 95 8.749 7.076 3.504 773 HD23 LEU 95 HD23 LEU 95 7.260 8.010 3.666 774 H SER 96 H SER 96 5.037 11.478 5.212 775 HA SER 96 HA SER 96 6.357 11.028 7.803 776 HB2 SER 96 HB2 SER 96 5.704 13.370 7.387 777 HB3 SER 96 HB3 SER 96 4.038 12.858 7.122 778 HG SER 96 HG SER 96 3.986 13.350 9.203 779 H LEU 97 H LEU 97 5.117 8.922 6.291 780 HA LEU 97 HA LEU 97 2.404 8.513 7.190 781 HB2 LEU 97 HB2 LEU 97 4.373 6.649 5.862 782 HB3 LEU 97 HB3 LEU 97 2.707 6.245 6.225 783 HG LEU 97 HG LEU 97 2.058 8.215 4.736 784 HD11 LEU 97 HD11 LEU 97 4.949 7.931 3.929 785 HD12 LEU 97 HD12 LEU 97 4.185 9.352 4.642 786 HD13 LEU 97 HD13 LEU 97 3.726 8.824 3.024 787 HD21 LEU 97 HD21 LEU 97 1.790 5.889 4.070 788 HD22 LEU 97 HD22 LEU 97 3.463 5.843 3.515 789 HD23 LEU 97 HD23 LEU 97 2.292 6.881 2.702 790 H LEU 98 H LEU 98 5.024 6.162 7.533 791 HA LEU 98 HA LEU 98 4.182 5.325 10.039 792 HB2 LEU 98 HB2 LEU 98 5.718 4.168 8.314 793 HB3 LEU 98 HB3 LEU 98 7.024 5.026 9.103 794 HG LEU 98 HG LEU 98 6.774 2.686 9.875 795 HD11 LEU 98 HD11 LEU 98 7.792 4.381 11.326 796 HD12 LEU 98 HD12 LEU 98 6.940 3.141 12.247 797 HD13 LEU 98 HD13 LEU 98 6.206 4.727 12.017 798 HD21 LEU 98 HD21 LEU 98 4.354 2.492 9.682 799 HD22 LEU 98 HD22 LEU 98 4.147 3.653 10.993 800 HD23 LEU 98 HD23 LEU 98 4.893 2.087 11.312 801 H ASN 99 H ASN 99 3.931 7.147 11.369 802 HA ASN 99 HA ASN 99 6.313 7.865 12.834 803 HB2 ASN 99 HB2 ASN 99 4.689 9.967 11.384 804 HB3 ASN 99 HB3 ASN 99 5.864 10.323 12.648 805 HD21 ASN 99 HD21 ASN 99 8.054 10.055 12.228 806 HD22 ASN 99 HD22 ASN 99 8.669 9.913 10.620 807 H VAL 100 H VAL 100 3.463 6.683 12.995 808 HA VAL 100 HA VAL 100 2.414 8.375 15.164 809 HB VAL 100 HB VAL 100 0.287 7.152 14.905 810 HG11 VAL 100 HG11 VAL 100 0.608 9.265 13.739 811 HG12 VAL 100 HG12 VAL 100 -0.387 8.170 12.778 812 HG13 VAL 100 HG13 VAL 100 1.309 8.414 12.362 813 HG21 VAL 100 HG21 VAL 100 1.640 5.875 12.528 814 HG22 VAL 100 HG22 VAL 100 -0.068 5.727 12.941 815 HG23 VAL 100 HG23 VAL 100 1.159 5.058 14.016 816 H GLY 101 H GLY 101 1.762 7.373 17.124 817 HA2 GLY 101 HA2 GLY 101 1.779 5.737 18.762 818 HA3 GLY 101 HA3 GLY 101 2.445 4.614 17.587 819 H ILE 102 H ILE 102 3.084 6.138 20.413 820 HA ILE 102 HA ILE 102 5.952 6.490 19.899 821 HB ILE 102 HB ILE 102 5.939 7.396 22.297 822 HG12 ILE 102 HG12 ILE 102 3.696 8.426 22.903 823 HG13 ILE 102 HG13 ILE 102 2.977 7.363 21.699 824 HG21 ILE 102 HG21 ILE 102 4.488 8.883 20.114 825 HG22 ILE 102 HG22 ILE 102 6.235 8.795 20.339 826 HG23 ILE 102 HG23 ILE 102 5.232 9.617 21.534 827 HD11 ILE 102 HD11 ILE 102 4.533 6.451 24.107 828 HD12 ILE 102 HD12 ILE 102 3.711 5.421 22.935 829 HD13 ILE 102 HD13 ILE 102 2.776 6.492 23.977 830 H GLY 103 H GLY 103 7.265 5.877 22.023 831 HA2 GLY 103 HA2 GLY 103 6.918 4.018 23.795 832 HA3 GLY 103 HA3 GLY 103 6.743 3.007 22.369 Start of MODEL 4 1 H GLY 1 H GLY 1 8.789 3.691 -20.843 2 HA2 GLY 1 HA2 GLY 1 6.511 2.937 -21.131 3 HA3 GLY 1 HA3 GLY 1 6.965 1.381 -20.453 4 H SER 2 H SER 2 8.284 1.771 -18.264 5 HA SER 2 HA SER 2 8.133 2.301 -16.061 6 HB2 SER 2 HB2 SER 2 7.098 4.935 -17.135 7 HB3 SER 2 HB3 SER 2 7.625 4.650 -15.478 8 HG SER 2 HG SER 2 9.574 5.007 -16.139 9 H TYR 3 H TYR 3 6.432 3.433 -14.412 10 HA TYR 3 HA TYR 3 3.684 2.931 -15.128 11 HB2 TYR 3 HB2 TYR 3 4.505 0.654 -14.627 12 HB3 TYR 3 HB3 TYR 3 5.017 1.199 -13.034 13 HD1 TYR 3 HD1 TYR 3 2.075 0.574 -15.180 14 HD2 TYR 3 HD2 TYR 3 3.463 1.382 -11.241 15 HE1 TYR 3 HE1 TYR 3 -0.153 0.035 -14.291 16 HE2 TYR 3 HE2 TYR 3 1.239 0.845 -10.341 17 HH TYR 3 HH TYR 3 -1.091 0.768 -11.112 18 H TRP 4 H TRP 4 2.806 4.734 -14.334 19 HA TRP 4 HA TRP 4 3.211 5.328 -11.488 20 HB2 TRP 4 HB2 TRP 4 4.704 6.796 -12.787 21 HB3 TRP 4 HB3 TRP 4 3.323 7.378 -13.710 22 HD1 TRP 4 HD1 TRP 4 1.676 9.104 -12.508 23 HE1 TRP 4 HE1 TRP 4 1.952 10.578 -10.416 24 HE3 TRP 4 HE3 TRP 4 5.780 6.847 -10.458 25 HZ2 TRP 4 HZ2 TRP 4 3.681 10.761 -8.192 26 HZ3 TRP 4 HZ3 TRP 4 6.684 7.734 -8.348 27 HH2 TRP 4 HH2 TRP 4 5.654 9.651 -7.240 28 HA PRO 5 HA PRO 5 -1.305 5.197 -12.197 29 HB2 PRO 5 HB2 PRO 5 -1.273 5.251 -9.239 30 HB3 PRO 5 HB3 PRO 5 -2.074 4.121 -10.333 31 HG2 PRO 5 HG2 PRO 5 0.089 3.398 -8.940 32 HG3 PRO 5 HG3 PRO 5 -0.178 2.822 -10.596 33 HD2 PRO 5 HD2 PRO 5 1.645 4.981 -9.611 34 HD3 PRO 5 HD3 PRO 5 1.925 3.754 -10.864 35 H ALA 6 H ALA 6 -3.091 6.578 -11.297 36 HA ALA 6 HA ALA 6 -2.295 9.311 -11.297 37 HB1 ALA 6 HB1 ALA 6 -5.011 8.111 -10.767 38 HB2 ALA 6 HB2 ALA 6 -4.374 8.567 -12.346 39 HB3 ALA 6 HB3 ALA 6 -4.678 9.804 -11.128 40 H ARG 7 H ARG 7 -3.925 10.617 -9.558 41 HA ARG 7 HA ARG 7 -2.508 10.356 -7.100 42 HB2 ARG 7 HB2 ARG 7 -4.923 12.051 -7.760 43 HB3 ARG 7 HB3 ARG 7 -3.893 12.237 -6.346 44 HG2 ARG 7 HG2 ARG 7 -2.005 12.795 -7.784 45 HG3 ARG 7 HG3 ARG 7 -3.025 12.591 -9.209 46 HD2 ARG 7 HD2 ARG 7 -4.480 14.399 -8.411 47 HD3 ARG 7 HD3 ARG 7 -3.435 14.612 -7.007 48 HE ARG 7 HE ARG 7 -1.867 14.840 -9.310 49 HH11 ARG 7 HH11 ARG 7 -4.437 16.537 -7.681 50 HH12 ARG 7 HH12 ARG 7 -3.965 18.091 -8.282 51 HH21 ARG 7 HH21 ARG 7 -1.238 16.882 -10.105 52 HH22 ARG 7 HH22 ARG 7 -2.147 18.288 -9.659 53 H HIS 8 H HIS 8 -3.175 9.652 -5.124 54 HA HIS 8 HA HIS 8 -4.157 8.097 -3.754 55 HB2 HIS 8 HB2 HIS 8 -6.397 8.754 -3.047 56 HB3 HIS 8 HB3 HIS 8 -5.380 10.171 -3.270 57 HD1 HIS 8 HD1 HIS 8 -8.277 8.354 -4.847 58 HD2 HIS 8 HD2 HIS 8 -6.275 11.983 -5.155 59 HE1 HIS 8 HE1 HIS 8 -9.699 9.781 -6.353 60 HE2 HIS 8 HE2 HIS 8 -8.507 11.998 -6.462 61 H SER 9 H SER 9 -4.030 7.215 -6.535 62 HA SER 9 HA SER 9 -6.463 5.945 -7.263 63 HB2 SER 9 HB2 SER 9 -3.617 5.326 -8.092 64 HB3 SER 9 HB3 SER 9 -5.062 4.671 -8.862 65 HG SER 9 HG SER 9 -5.585 7.094 -9.011 66 H GLY 10 H GLY 10 -6.539 3.488 -7.558 67 HA2 GLY 10 HA2 GLY 10 -6.468 2.251 -5.061 68 HA3 GLY 10 HA3 GLY 10 -6.659 1.411 -6.592 69 H ALA 11 H ALA 11 -4.424 1.433 -7.866 70 HA ALA 11 HA ALA 11 -2.715 -0.289 -6.513 71 HB1 ALA 11 HB1 ALA 11 -1.186 -0.008 -8.396 72 HB2 ALA 11 HB2 ALA 11 -2.096 1.407 -8.926 73 HB3 ALA 11 HB3 ALA 11 -2.855 -0.186 -8.943 74 H ARG 12 H ARG 12 -2.768 3.179 -6.587 75 HA ARG 12 HA ARG 12 -0.038 3.572 -5.783 76 HB2 ARG 12 HB2 ARG 12 -0.730 5.501 -6.745 77 HB3 ARG 12 HB3 ARG 12 -2.406 5.265 -6.291 78 HG2 ARG 12 HG2 ARG 12 -1.975 6.094 -4.082 79 HG3 ARG 12 HG3 ARG 12 -0.243 6.166 -4.401 80 HD2 ARG 12 HD2 ARG 12 -0.619 7.858 -6.116 81 HD3 ARG 12 HD3 ARG 12 -2.357 7.770 -5.831 82 HE ARG 12 HE ARG 12 -1.441 8.396 -3.398 83 HH11 ARG 12 HH11 ARG 12 -0.723 9.726 -6.538 84 HH12 ARG 12 HH12 ARG 12 -0.407 11.317 -5.933 85 HH21 ARG 12 HH21 ARG 12 -1.027 10.489 -2.594 86 HH22 ARG 12 HH22 ARG 12 -0.579 11.751 -3.692 87 H VAL 13 H VAL 13 -3.180 3.893 -4.172 88 HA VAL 13 HA VAL 13 -2.166 4.507 -1.649 89 HB VAL 13 HB VAL 13 -4.793 3.251 -2.437 90 HG11 VAL 13 HG11 VAL 13 -4.342 2.657 -0.143 91 HG12 VAL 13 HG12 VAL 13 -5.581 3.910 -0.198 92 HG13 VAL 13 HG13 VAL 13 -3.925 4.328 0.240 93 HG21 VAL 13 HG21 VAL 13 -4.458 5.508 -3.279 94 HG22 VAL 13 HG22 VAL 13 -4.052 6.067 -1.657 95 HG23 VAL 13 HG23 VAL 13 -5.683 5.494 -2.009 96 H ILE 14 H ILE 14 -2.719 1.384 -3.202 97 HA ILE 14 HA ILE 14 -2.518 -0.133 -0.820 98 HB ILE 14 HB ILE 14 -2.260 -2.090 -2.239 99 HG12 ILE 14 HG12 ILE 14 -2.203 -0.154 -4.558 100 HG13 ILE 14 HG13 ILE 14 -0.822 -1.077 -3.980 101 HG21 ILE 14 HG21 ILE 14 -4.361 -0.137 -3.124 102 HG22 ILE 14 HG22 ILE 14 -4.481 -1.334 -1.836 103 HG23 ILE 14 HG23 ILE 14 -4.375 -1.857 -3.517 104 HD11 ILE 14 HD11 ILE 14 -3.356 -2.295 -5.044 105 HD12 ILE 14 HD12 ILE 14 -1.870 -3.138 -4.609 106 HD13 ILE 14 HD13 ILE 14 -1.887 -2.036 -5.984 107 H LEU 15 H LEU 15 -0.083 0.168 -3.467 108 HA LEU 15 HA LEU 15 1.927 -1.028 -2.089 109 HB2 LEU 15 HB2 LEU 15 2.333 1.271 -3.998 110 HB3 LEU 15 HB3 LEU 15 3.501 0.035 -3.593 111 HG LEU 15 HG LEU 15 0.882 -0.734 -4.826 112 HD11 LEU 15 HD11 LEU 15 3.340 0.191 -6.306 113 HD12 LEU 15 HD12 LEU 15 1.770 0.996 -6.277 114 HD13 LEU 15 HD13 LEU 15 1.934 -0.589 -7.032 115 HD21 LEU 15 HD21 LEU 15 2.305 -2.485 -3.904 116 HD22 LEU 15 HD22 LEU 15 3.653 -1.924 -4.893 117 HD23 LEU 15 HD23 LEU 15 2.218 -2.604 -5.661 118 H LEU 16 H LEU 16 0.770 2.209 -1.605 119 HA LEU 16 HA LEU 16 3.158 3.184 -0.300 120 HB2 LEU 16 HB2 LEU 16 1.760 4.699 -1.572 121 HB3 LEU 16 HB3 LEU 16 0.367 4.275 -0.601 122 HG LEU 16 HG LEU 16 1.409 5.280 1.354 123 HD11 LEU 16 HD11 LEU 16 3.451 6.606 1.124 124 HD12 LEU 16 HD12 LEU 16 3.609 6.070 -0.549 125 HD13 LEU 16 HD13 LEU 16 3.746 4.905 0.767 126 HD21 LEU 16 HD21 LEU 16 1.357 7.109 -1.037 127 HD22 LEU 16 HD22 LEU 16 1.192 7.596 0.651 128 HD23 LEU 16 HD23 LEU 16 -0.049 6.594 -0.105 129 H VAL 17 H VAL 17 -0.124 2.190 0.534 130 HA VAL 17 HA VAL 17 0.144 2.510 3.294 131 HB VAL 17 HB VAL 17 -1.938 2.180 1.799 132 HG11 VAL 17 HG11 VAL 17 -1.471 0.004 0.944 133 HG12 VAL 17 HG12 VAL 17 -2.913 -0.073 1.957 134 HG13 VAL 17 HG13 VAL 17 -1.371 -0.663 2.574 135 HG21 VAL 17 HG21 VAL 17 -1.741 1.036 4.574 136 HG22 VAL 17 HG22 VAL 17 -3.253 1.443 3.764 137 HG23 VAL 17 HG23 VAL 17 -2.083 2.711 4.138 138 H LEU 18 H LEU 18 0.704 -0.336 1.229 139 HA LEU 18 HA LEU 18 1.412 -2.083 3.294 140 HB2 LEU 18 HB2 LEU 18 1.928 -1.948 0.354 141 HB3 LEU 18 HB3 LEU 18 2.859 -3.094 1.299 142 HG LEU 18 HG LEU 18 0.853 -4.023 0.190 143 HD11 LEU 18 HD11 LEU 18 0.892 -4.176 3.197 144 HD12 LEU 18 HD12 LEU 18 1.896 -5.122 2.099 145 HD13 LEU 18 HD13 LEU 18 0.147 -5.352 2.114 146 HD21 LEU 18 HD21 LEU 18 -1.333 -3.641 1.337 147 HD22 LEU 18 HD22 LEU 18 -0.741 -2.275 0.398 148 HD23 LEU 18 HD23 LEU 18 -0.590 -2.266 2.154 149 H TYR 19 H TYR 19 3.020 0.514 1.794 150 HA TYR 19 HA TYR 19 5.742 -0.205 2.079 151 HB2 TYR 19 HB2 TYR 19 5.036 1.630 0.646 152 HB3 TYR 19 HB3 TYR 19 4.420 2.507 2.037 153 HD1 TYR 19 HD1 TYR 19 7.521 1.270 0.435 154 HD2 TYR 19 HD2 TYR 19 5.823 3.886 3.329 155 HE1 TYR 19 HE1 TYR 19 9.692 2.398 0.681 156 HE2 TYR 19 HE2 TYR 19 7.990 5.022 3.583 157 HH TYR 19 HH TYR 19 10.375 4.541 3.218 158 H ARG 20 H ARG 20 3.848 2.070 4.104 159 HA ARG 20 HA ARG 20 5.657 2.387 6.090 160 HB2 ARG 20 HB2 ARG 20 3.584 2.655 7.613 161 HB3 ARG 20 HB3 ARG 20 3.779 3.735 6.238 162 HG2 ARG 20 HG2 ARG 20 2.304 2.077 4.969 163 HG3 ARG 20 HG3 ARG 20 1.906 1.422 6.560 164 HD2 ARG 20 HD2 ARG 20 1.565 4.290 5.709 165 HD3 ARG 20 HD3 ARG 20 0.273 3.093 5.793 166 HE ARG 20 HE ARG 20 1.501 3.185 8.292 167 HH11 ARG 20 HH11 ARG 20 -0.365 5.273 6.218 168 HH12 ARG 20 HH12 ARG 20 -1.060 6.167 7.529 169 HH21 ARG 20 HH21 ARG 20 0.592 4.357 10.023 170 HH22 ARG 20 HH22 ARG 20 -0.515 5.648 9.692 171 H GLU 21 H GLU 21 3.288 -0.306 5.990 172 HA GLU 21 HA GLU 21 3.970 -1.270 8.605 173 HB2 GLU 21 HB2 GLU 21 1.811 -1.781 7.438 174 HB3 GLU 21 HB3 GLU 21 2.714 -2.791 6.317 175 HG2 GLU 21 HG2 GLU 21 1.683 -4.133 8.049 176 HG3 GLU 21 HG3 GLU 21 3.439 -4.206 8.163 177 H HIS 22 H HIS 22 5.422 -1.373 5.527 178 HA HIS 22 HA HIS 22 6.756 -3.943 5.882 179 HB2 HIS 22 HB2 HIS 22 6.211 -3.344 3.609 180 HB3 HIS 22 HB3 HIS 22 7.041 -1.801 3.767 181 HD1 HIS 22 HD1 HIS 22 7.578 -5.333 2.908 182 HD2 HIS 22 HD2 HIS 22 9.914 -2.039 3.887 183 HE1 HIS 22 HE1 HIS 22 9.917 -5.934 2.208 184 HE2 HIS 22 HE2 HIS 22 11.300 -3.900 2.745 185 H LEU 23 H LEU 23 7.491 -0.470 5.912 186 HA LEU 23 HA LEU 23 10.134 -0.760 6.739 187 HB2 LEU 23 HB2 LEU 23 8.178 1.512 6.961 188 HB3 LEU 23 HB3 LEU 23 9.818 1.653 7.562 189 HG LEU 23 HG LEU 23 10.560 1.003 5.211 190 HD11 LEU 23 HD11 LEU 23 8.406 0.167 4.427 191 HD12 LEU 23 HD12 LEU 23 9.003 1.479 3.415 192 HD13 LEU 23 HD13 LEU 23 7.721 1.786 4.587 193 HD21 LEU 23 HD21 LEU 23 9.132 3.621 5.636 194 HD22 LEU 23 HD22 LEU 23 10.366 3.303 4.418 195 HD23 LEU 23 HD23 LEU 23 10.784 3.251 6.129 196 H ASN 24 H ASN 24 7.557 -1.740 8.423 197 HA ASN 24 HA ASN 24 8.356 -0.866 11.015 198 HB2 ASN 24 HB2 ASN 24 6.253 -2.732 9.978 199 HB3 ASN 24 HB3 ASN 24 6.621 -2.686 11.700 200 HD21 ASN 24 HD21 ASN 24 6.129 -0.873 12.895 201 HD22 ASN 24 HD22 ASN 24 5.094 0.377 12.303 202 HA PRO 25 HA PRO 25 11.355 -4.247 11.425 203 HB2 PRO 25 HB2 PRO 25 12.286 -2.782 13.755 204 HB3 PRO 25 HB3 PRO 25 13.133 -3.110 12.246 205 HG2 PRO 25 HG2 PRO 25 12.300 -0.625 12.989 206 HG3 PRO 25 HG3 PRO 25 12.477 -1.129 11.299 207 HD2 PRO 25 HD2 PRO 25 9.995 -0.906 12.957 208 HD3 PRO 25 HD3 PRO 25 10.256 -0.503 11.253 209 H ASN 26 H ASN 26 9.691 -2.620 14.085 210 HA ASN 26 HA ASN 26 9.696 -5.124 15.616 211 HB2 ASN 26 HB2 ASN 26 10.628 -3.104 16.767 212 HB3 ASN 26 HB3 ASN 26 9.050 -2.339 16.613 213 HD21 ASN 26 HD21 ASN 26 10.872 -4.868 18.161 214 HD22 ASN 26 HD22 ASN 26 9.740 -5.182 19.427 215 H GLY 27 H GLY 27 7.987 -4.390 13.301 216 HA2 GLY 27 HA2 GLY 27 5.379 -4.441 14.634 217 HA3 GLY 27 HA3 GLY 27 5.597 -3.403 13.229 218 H HIS 28 H HIS 28 5.580 -4.270 11.216 219 HA HIS 28 HA HIS 28 5.616 -7.185 10.921 220 HB2 HIS 28 HB2 HIS 28 3.472 -5.411 9.736 221 HB3 HIS 28 HB3 HIS 28 3.595 -7.158 9.571 222 HD1 HIS 28 HD1 HIS 28 2.294 -4.509 11.771 223 HD2 HIS 28 HD2 HIS 28 2.989 -8.598 11.982 224 HE1 HIS 28 HE1 HIS 28 1.007 -5.305 13.779 225 HE2 HIS 28 HE2 HIS 28 1.372 -7.798 13.835 226 H HIS 29 H HIS 29 5.059 -7.434 8.307 227 HA HIS 29 HA HIS 29 6.723 -5.555 6.810 228 HB2 HIS 29 HB2 HIS 29 7.193 -8.547 6.862 229 HB3 HIS 29 HB3 HIS 29 7.976 -7.422 5.758 230 HD1 HIS 29 HD1 HIS 29 8.213 -8.833 9.141 231 HD2 HIS 29 HD2 HIS 29 9.819 -5.620 7.052 232 HE1 HIS 29 HE1 HIS 29 10.181 -8.062 10.503 233 HE2 HIS 29 HE2 HIS 29 11.194 -6.178 9.170 234 H PHE 30 H PHE 30 3.867 -6.545 7.095 235 HA PHE 30 HA PHE 30 3.158 -6.357 4.328 236 HB2 PHE 30 HB2 PHE 30 2.062 -8.578 4.176 237 HB3 PHE 30 HB3 PHE 30 3.808 -8.707 4.310 238 HD1 PHE 30 HD1 PHE 30 0.637 -9.049 6.159 239 HD2 PHE 30 HD2 PHE 30 4.816 -9.849 6.122 240 HE1 PHE 30 HE1 PHE 30 0.360 -10.551 8.084 241 HE2 PHE 30 HE2 PHE 30 4.546 -11.355 8.050 242 HZ PHE 30 HZ PHE 30 2.314 -11.707 9.032 243 H LEU 31 H LEU 31 0.749 -6.747 4.053 244 HA LEU 31 HA LEU 31 -0.870 -6.678 6.465 245 HB2 LEU 31 HB2 LEU 31 -0.527 -4.420 4.528 246 HB3 LEU 31 HB3 LEU 31 -2.045 -4.640 5.367 247 HG LEU 31 HG LEU 31 0.633 -4.152 6.650 248 HD11 LEU 31 HD11 LEU 31 -0.342 -2.017 7.323 249 HD12 LEU 31 HD12 LEU 31 -1.810 -2.405 6.426 250 HD13 LEU 31 HD13 LEU 31 -0.285 -2.178 5.568 251 HD21 LEU 31 HD21 LEU 31 -0.630 -3.991 8.751 252 HD22 LEU 31 HD22 LEU 31 -0.721 -5.605 8.046 253 HD23 LEU 31 HD23 LEU 31 -2.088 -4.500 7.899 254 H THR 32 H THR 32 -3.100 -7.073 6.056 255 HA THR 32 HA THR 32 -3.484 -8.605 3.579 256 HB THR 32 HB THR 32 -5.451 -9.592 4.668 257 HG1 THR 32 HG1 THR 32 -5.083 -8.931 7.195 258 HG21 THR 32 HG21 THR 32 -4.274 -10.887 6.408 259 HG22 THR 32 HG22 THR 32 -2.944 -9.730 6.350 260 HG23 THR 32 HG23 THR 32 -3.312 -10.722 4.939 261 H LYS 33 H LYS 33 -5.218 -8.067 2.195 262 HA LYS 33 HA LYS 33 -5.980 -5.602 1.804 263 HB2 LYS 33 HB2 LYS 33 -6.652 -7.731 0.504 264 HB3 LYS 33 HB3 LYS 33 -8.123 -7.673 1.458 265 HG2 LYS 33 HG2 LYS 33 -8.629 -5.459 0.606 266 HG3 LYS 33 HG3 LYS 33 -7.122 -5.450 -0.312 267 HD2 LYS 33 HD2 LYS 33 -7.913 -7.373 -1.612 268 HD3 LYS 33 HD3 LYS 33 -9.422 -7.365 -0.698 269 HE2 LYS 33 HE2 LYS 33 -9.913 -5.115 -1.529 270 HE3 LYS 33 HE3 LYS 33 -8.402 -5.116 -2.438 271 HZ1 LYS 33 HZ1 LYS 33 -10.278 -5.673 -3.848 272 HZ2 LYS 33 HZ2 LYS 33 -10.675 -6.984 -2.855 273 HZ3 LYS 33 HZ3 LYS 33 -9.224 -6.991 -3.725 274 H GLU 34 H GLU 34 -7.532 -7.658 4.185 275 HA GLU 34 HA GLU 34 -9.781 -5.955 4.669 276 HB2 GLU 34 HB2 GLU 34 -10.064 -7.277 6.722 277 HB3 GLU 34 HB3 GLU 34 -9.861 -8.303 5.310 278 HG2 GLU 34 HG2 GLU 34 -7.536 -8.689 5.913 279 HG3 GLU 34 HG3 GLU 34 -7.719 -7.639 7.317 280 H GLU 35 H GLU 35 -6.493 -6.199 5.871 281 HA GLU 35 HA GLU 35 -6.867 -4.360 8.045 282 HB2 GLU 35 HB2 GLU 35 -4.350 -5.362 6.694 283 HB3 GLU 35 HB3 GLU 35 -4.365 -4.324 8.112 284 HG2 GLU 35 HG2 GLU 35 -5.578 -7.072 7.969 285 HG3 GLU 35 HG3 GLU 35 -4.007 -6.685 8.668 286 H LEU 36 H LEU 36 -5.478 -4.133 4.789 287 HA LEU 36 HA LEU 36 -4.770 -1.581 4.702 288 HB2 LEU 36 HB2 LEU 36 -6.358 -2.741 2.429 289 HB3 LEU 36 HB3 LEU 36 -5.029 -1.601 2.351 290 HG LEU 36 HG LEU 36 -4.890 -4.540 2.975 291 HD11 LEU 36 HD11 LEU 36 -3.759 -2.839 0.765 292 HD12 LEU 36 HD12 LEU 36 -4.993 -4.090 0.628 293 HD13 LEU 36 HD13 LEU 36 -3.335 -4.528 1.039 294 HD21 LEU 36 HD21 LEU 36 -2.707 -2.469 3.159 295 HD22 LEU 36 HD22 LEU 36 -2.461 -4.214 3.230 296 HD23 LEU 36 HD23 LEU 36 -3.387 -3.401 4.493 297 H LEU 37 H LEU 37 -8.090 -2.707 4.667 298 HA LEU 37 HA LEU 37 -9.431 -0.455 3.841 299 HB2 LEU 37 HB2 LEU 37 -10.211 -2.273 6.126 300 HB3 LEU 37 HB3 LEU 37 -11.293 -1.193 5.270 301 HG LEU 37 HG LEU 37 -9.872 -3.560 4.046 302 HD11 LEU 37 HD11 LEU 37 -11.593 -4.242 5.628 303 HD12 LEU 37 HD12 LEU 37 -12.092 -4.578 3.971 304 HD13 LEU 37 HD13 LEU 37 -12.761 -3.190 4.829 305 HD21 LEU 37 HD21 LEU 37 -10.258 -1.778 2.433 306 HD22 LEU 37 HD22 LEU 37 -11.954 -1.694 2.911 307 HD23 LEU 37 HD23 LEU 37 -11.330 -3.143 2.122 308 H GLN 38 H GLN 38 -8.260 -1.191 7.102 309 HA GLN 38 HA GLN 38 -9.172 1.340 8.181 310 HB2 GLN 38 HB2 GLN 38 -7.414 -0.800 9.396 311 HB3 GLN 38 HB3 GLN 38 -8.054 0.597 10.250 312 HG2 GLN 38 HG2 GLN 38 -10.327 -0.205 9.867 313 HG3 GLN 38 HG3 GLN 38 -9.687 -1.604 9.006 314 HE21 GLN 38 HE21 GLN 38 -8.652 -3.234 10.158 315 HE22 GLN 38 HE22 GLN 38 -8.808 -3.389 11.872 316 H ARG 39 H ARG 39 -6.100 -0.183 7.288 317 HA ARG 39 HA ARG 39 -4.358 1.794 8.035 318 HB2 ARG 39 HB2 ARG 39 -4.086 -0.591 6.894 319 HB3 ARG 39 HB3 ARG 39 -3.859 0.400 5.461 320 HG2 ARG 39 HG2 ARG 39 -1.717 0.023 6.288 321 HG3 ARG 39 HG3 ARG 39 -2.123 1.665 6.791 322 HD2 ARG 39 HD2 ARG 39 -2.495 -0.751 8.550 323 HD3 ARG 39 HD3 ARG 39 -1.034 0.227 8.548 324 HE ARG 39 HE ARG 39 -3.113 1.986 8.946 325 HH11 ARG 39 HH11 ARG 39 -1.813 -0.812 10.566 326 HH12 ARG 39 HH12 ARG 39 -2.303 -0.286 12.142 327 HH21 ARG 39 HH21 ARG 39 -3.760 2.686 11.016 328 HH22 ARG 39 HH22 ARG 39 -3.410 1.702 12.398 329 H CYS 40 H CYS 40 -5.827 1.402 4.848 330 HA CYS 40 HA CYS 40 -4.736 3.663 3.611 331 HB2 CYS 40 HB2 CYS 40 -5.749 2.110 2.163 332 HB3 CYS 40 HB3 CYS 40 -7.235 2.067 3.101 333 HG CYS 40 HG CYS 40 -7.835 4.806 2.375 334 H ALA 41 H ALA 41 -7.594 3.267 5.619 335 HA ALA 41 HA ALA 41 -8.790 5.678 5.303 336 HB1 ALA 41 HB1 ALA 41 -9.685 3.861 6.683 337 HB2 ALA 41 HB2 ALA 41 -9.749 5.417 7.512 338 HB3 ALA 41 HB3 ALA 41 -8.503 4.243 7.935 339 H GLN 42 H GLN 42 -5.647 5.790 5.803 340 HA GLN 42 HA GLN 42 -5.724 7.826 7.878 341 HB2 GLN 42 HB2 GLN 42 -3.381 6.029 7.201 342 HB3 GLN 42 HB3 GLN 42 -3.319 7.409 8.290 343 HG2 GLN 42 HG2 GLN 42 -4.940 6.296 9.760 344 HG3 GLN 42 HG3 GLN 42 -4.938 4.901 8.682 345 HE21 GLN 42 HE21 GLN 42 -3.119 3.578 8.591 346 HE22 GLN 42 HE22 GLN 42 -1.901 3.608 9.817 347 H LYS 43 H LYS 43 -4.866 6.658 4.765 348 HA LYS 43 HA LYS 43 -3.148 8.429 3.670 349 HB2 LYS 43 HB2 LYS 43 -4.464 6.487 2.600 350 HB3 LYS 43 HB3 LYS 43 -5.670 7.706 2.209 351 HG2 LYS 43 HG2 LYS 43 -4.485 7.872 0.311 352 HG3 LYS 43 HG3 LYS 43 -3.464 8.929 1.288 353 HD2 LYS 43 HD2 LYS 43 -3.026 5.980 0.840 354 HD3 LYS 43 HD3 LYS 43 -2.150 7.278 0.034 355 HE2 LYS 43 HE2 LYS 43 -0.693 6.688 1.724 356 HE3 LYS 43 HE3 LYS 43 -1.572 8.027 2.457 357 HZ1 LYS 43 HZ1 LYS 43 -2.987 6.413 3.587 358 HZ2 LYS 43 HZ2 LYS 43 -1.362 6.177 3.986 359 HZ3 LYS 43 HZ3 LYS 43 -2.123 5.139 2.889 360 H SER 44 H SER 44 -6.619 8.892 3.138 361 HA SER 44 HA SER 44 -6.194 11.800 3.208 362 HB2 SER 44 HB2 SER 44 -7.043 10.945 1.072 363 HB3 SER 44 HB3 SER 44 -8.400 10.185 1.903 364 HG SER 44 HG SER 44 -8.950 12.220 0.986 365 HA PRO 45 HA PRO 45 -8.072 11.250 7.355 366 HB2 PRO 45 HB2 PRO 45 -8.059 14.210 6.887 367 HB3 PRO 45 HB3 PRO 45 -7.665 13.304 8.353 368 HG2 PRO 45 HG2 PRO 45 -5.735 14.274 6.791 369 HG3 PRO 45 HG3 PRO 45 -5.571 12.693 7.576 370 HD2 PRO 45 HD2 PRO 45 -6.056 13.347 4.727 371 HD3 PRO 45 HD3 PRO 45 -5.283 11.920 5.444 372 H ARG 46 H ARG 46 -10.102 12.005 8.324 373 HA ARG 46 HA ARG 46 -12.375 11.974 8.261 374 HB2 ARG 46 HB2 ARG 46 -11.799 13.954 6.051 375 HB3 ARG 46 HB3 ARG 46 -13.351 13.769 6.857 376 HG2 ARG 46 HG2 ARG 46 -12.284 14.379 8.993 377 HG3 ARG 46 HG3 ARG 46 -10.765 14.638 8.133 378 HD2 ARG 46 HD2 ARG 46 -13.351 16.112 7.643 379 HD3 ARG 46 HD3 ARG 46 -11.954 16.742 8.513 380 HE ARG 46 HE ARG 46 -11.148 15.921 5.951 381 HH11 ARG 46 HH11 ARG 46 -13.055 18.391 7.503 382 HH12 ARG 46 HH12 ARG 46 -12.775 19.567 6.262 383 HH21 ARG 46 HH21 ARG 46 -10.775 17.464 4.313 384 HH22 ARG 46 HH22 ARG 46 -11.480 19.040 4.449 385 H VAL 47 H VAL 47 -11.192 9.871 6.716 386 HA VAL 47 HA VAL 47 -12.261 9.543 4.160 387 HB VAL 47 HB VAL 47 -12.023 7.110 4.521 388 HG11 VAL 47 HG11 VAL 47 -9.691 8.700 5.590 389 HG12 VAL 47 HG12 VAL 47 -10.082 8.479 3.885 390 HG13 VAL 47 HG13 VAL 47 -9.620 7.093 4.871 391 HG21 VAL 47 HG21 VAL 47 -11.168 6.276 6.660 392 HG22 VAL 47 HG22 VAL 47 -12.764 7.005 6.841 393 HG23 VAL 47 HG23 VAL 47 -11.326 7.890 7.352 394 H ALA 48 H ALA 48 -13.960 7.859 3.593 395 HA ALA 48 HA ALA 48 -16.416 8.623 4.955 396 HB1 ALA 48 HB1 ALA 48 -17.554 7.520 3.096 397 HB2 ALA 48 HB2 ALA 48 -16.003 6.957 2.474 398 HB3 ALA 48 HB3 ALA 48 -16.363 8.683 2.514 399 HA PRO 49 HA PRO 49 -16.865 5.024 7.467 400 HB2 PRO 49 HB2 PRO 49 -19.685 4.923 6.533 401 HB3 PRO 49 HB3 PRO 49 -19.046 5.008 8.178 402 HG2 PRO 49 HG2 PRO 49 -20.162 7.142 7.041 403 HG3 PRO 49 HG3 PRO 49 -18.735 7.303 8.082 404 HD2 PRO 49 HD2 PRO 49 -18.927 7.390 5.100 405 HD3 PRO 49 HD3 PRO 49 -17.912 8.353 6.193 406 H GLY 50 H GLY 50 -19.081 4.573 4.703 407 HA2 GLY 50 HA2 GLY 50 -17.891 1.915 4.307 408 HA3 GLY 50 HA3 GLY 50 -19.499 2.402 3.796 409 H SER 51 H SER 51 -16.054 2.893 3.157 410 HA SER 51 HA SER 51 -16.753 3.547 0.368 411 HB2 SER 51 HB2 SER 51 -15.692 5.438 1.522 412 HB3 SER 51 HB3 SER 51 -14.318 4.417 1.946 413 HG SER 51 HG SER 51 -15.152 5.149 -0.667 414 H ALA 52 H ALA 52 -16.329 1.926 -0.972 415 HA ALA 52 HA ALA 52 -13.836 0.416 -0.604 416 HB1 ALA 52 HB1 ALA 52 -15.678 -0.925 0.293 417 HB2 ALA 52 HB2 ALA 52 -14.965 -1.669 -1.139 418 HB3 ALA 52 HB3 ALA 52 -16.507 -0.821 -1.262 419 HA PRO 53 HA PRO 53 -14.177 1.974 -4.956 420 HB2 PRO 53 HB2 PRO 53 -11.292 2.383 -4.661 421 HB3 PRO 53 HB3 PRO 53 -12.545 3.548 -5.095 422 HG2 PRO 53 HG2 PRO 53 -11.261 3.622 -2.720 423 HG3 PRO 53 HG3 PRO 53 -12.951 4.127 -2.907 424 HD2 PRO 53 HD2 PRO 53 -11.847 1.557 -1.832 425 HD3 PRO 53 HD3 PRO 53 -13.213 2.531 -1.246 426 HA PRO 54 HA PRO 54 -12.806 -1.628 -7.117 427 HB2 PRO 54 HB2 PRO 54 -11.149 0.159 -8.835 428 HB3 PRO 54 HB3 PRO 54 -12.332 -1.069 -9.300 429 HG2 PRO 54 HG2 PRO 54 -12.939 1.519 -9.437 430 HG3 PRO 54 HG3 PRO 54 -14.139 0.327 -8.903 431 HD2 PRO 54 HD2 PRO 54 -12.580 2.297 -7.300 432 HD3 PRO 54 HD3 PRO 54 -14.231 1.695 -7.058 433 H TRP 55 H TRP 55 -11.506 -2.599 -5.556 434 HA TRP 55 HA TRP 55 -8.664 -1.940 -5.701 435 HB2 TRP 55 HB2 TRP 55 -10.447 -2.668 -3.528 436 HB3 TRP 55 HB3 TRP 55 -8.964 -3.621 -3.530 437 HD1 TRP 55 HD1 TRP 55 -9.153 0.054 -4.621 438 HE1 TRP 55 HE1 TRP 55 -7.656 1.450 -3.065 439 HE3 TRP 55 HE3 TRP 55 -7.890 -3.575 -1.244 440 HZ2 TRP 55 HZ2 TRP 55 -6.136 1.060 -0.720 441 HZ3 TRP 55 HZ3 TRP 55 -6.426 -2.973 0.619 442 HH2 TRP 55 HH2 TRP 55 -5.566 -0.705 0.882 443 HA PRO 56 HA PRO 56 -9.270 -6.792 -6.568 444 HB2 PRO 56 HB2 PRO 56 -10.279 -6.077 -9.280 445 HB3 PRO 56 HB3 PRO 56 -10.675 -7.469 -8.264 446 HG2 PRO 56 HG2 PRO 56 -12.395 -5.458 -8.541 447 HG3 PRO 56 HG3 PRO 56 -12.183 -6.266 -6.977 448 HD2 PRO 56 HD2 PRO 56 -11.173 -3.610 -7.894 449 HD3 PRO 56 HD3 PRO 56 -11.756 -4.108 -6.292 450 H ALA 57 H ALA 57 -8.280 -3.910 -8.120 451 HA ALA 57 HA ALA 57 -6.504 -4.825 -10.049 452 HB1 ALA 57 HB1 ALA 57 -6.215 -2.356 -8.345 453 HB2 ALA 57 HB2 ALA 57 -7.225 -2.482 -9.784 454 HB3 ALA 57 HB3 ALA 57 -5.473 -2.641 -9.919 455 H LEU 58 H LEU 58 -6.104 -4.491 -6.574 456 HA LEU 58 HA LEU 58 -3.429 -4.695 -6.231 457 HB2 LEU 58 HB2 LEU 58 -4.890 -4.520 -4.345 458 HB3 LEU 58 HB3 LEU 58 -5.623 -6.073 -4.692 459 HG LEU 58 HG LEU 58 -3.619 -7.239 -4.030 460 HD11 LEU 58 HD11 LEU 58 -1.657 -6.060 -3.181 461 HD12 LEU 58 HD12 LEU 58 -2.399 -4.516 -3.597 462 HD13 LEU 58 HD13 LEU 58 -1.963 -5.657 -4.870 463 HD21 LEU 58 HD21 LEU 58 -4.385 -5.091 -2.059 464 HD22 LEU 58 HD22 LEU 58 -3.501 -6.565 -1.666 465 HD23 LEU 58 HD23 LEU 58 -5.159 -6.663 -2.258 466 H ARG 59 H ARG 59 -5.601 -7.492 -6.634 467 HA ARG 59 HA ARG 59 -3.723 -9.478 -6.685 468 HB2 ARG 59 HB2 ARG 59 -6.225 -9.308 -8.378 469 HB3 ARG 59 HB3 ARG 59 -5.315 -10.780 -8.063 470 HG2 ARG 59 HG2 ARG 59 -5.804 -10.568 -5.675 471 HG3 ARG 59 HG3 ARG 59 -6.729 -9.100 -6.001 472 HD2 ARG 59 HD2 ARG 59 -8.267 -10.378 -7.405 473 HD3 ARG 59 HD3 ARG 59 -7.336 -11.844 -7.098 474 HE ARG 59 HE ARG 59 -8.185 -10.656 -4.667 475 HH11 ARG 59 HH11 ARG 59 -9.333 -12.532 -7.369 476 HH12 ARG 59 HH12 ARG 59 -10.606 -13.288 -6.469 477 HH21 ARG 59 HH21 ARG 59 -9.857 -11.647 -3.474 478 HH22 ARG 59 HH22 ARG 59 -10.903 -12.785 -4.255 479 H SER 60 H SER 60 -4.842 -7.517 -9.421 480 HA SER 60 HA SER 60 -3.240 -8.584 -11.352 481 HB2 SER 60 HB2 SER 60 -4.034 -5.673 -11.092 482 HB3 SER 60 HB3 SER 60 -3.493 -6.460 -12.574 483 HG SER 60 HG SER 60 -5.602 -6.705 -12.767 484 H LEU 61 H LEU 61 -2.309 -6.442 -8.773 485 HA LEU 61 HA LEU 61 0.132 -5.534 -10.004 486 HB2 LEU 61 HB2 LEU 61 -1.085 -5.288 -7.291 487 HB3 LEU 61 HB3 LEU 61 0.646 -5.046 -7.460 488 HG LEU 61 HG LEU 61 -0.138 -3.416 -9.404 489 HD11 LEU 61 HD11 LEU 61 -2.174 -2.219 -8.746 490 HD12 LEU 61 HD12 LEU 61 -2.471 -3.431 -7.499 491 HD13 LEU 61 HD13 LEU 61 -2.499 -3.890 -9.201 492 HD21 LEU 61 HD21 LEU 61 -0.032 -1.582 -7.773 493 HD22 LEU 61 HD22 LEU 61 1.239 -2.779 -7.525 494 HD23 LEU 61 HD23 LEU 61 -0.169 -2.757 -6.466 495 H LEU 62 H LEU 62 -0.912 -8.243 -8.074 496 HA LEU 62 HA LEU 62 1.581 -9.129 -7.055 497 HB2 LEU 62 HB2 LEU 62 -0.785 -10.759 -7.977 498 HB3 LEU 62 HB3 LEU 62 0.524 -11.345 -6.978 499 HG LEU 62 HG LEU 62 -1.268 -9.102 -6.070 500 HD11 LEU 62 HD11 LEU 62 -2.582 -10.771 -4.861 501 HD12 LEU 62 HD12 LEU 62 -1.655 -12.061 -5.628 502 HD13 LEU 62 HD13 LEU 62 -2.686 -11.017 -6.605 503 HD21 LEU 62 HD21 LEU 62 -0.506 -9.714 -3.877 504 HD22 LEU 62 HD22 LEU 62 0.905 -9.500 -4.914 505 HD23 LEU 62 HD23 LEU 62 0.343 -11.121 -4.515 506 H HIS 63 H HIS 63 -0.129 -9.476 -10.086 507 HA HIS 63 HA HIS 63 1.637 -11.241 -11.350 508 HB2 HIS 63 HB2 HIS 63 -0.653 -10.771 -12.137 509 HB3 HIS 63 HB3 HIS 63 -0.160 -9.142 -12.583 510 HD1 HIS 63 HD1 HIS 63 -0.072 -12.663 -13.739 511 HD2 HIS 63 HD2 HIS 63 1.498 -8.991 -14.888 512 HE1 HIS 63 HE1 HIS 63 0.770 -12.997 -16.084 513 HE2 HIS 63 HE2 HIS 63 1.629 -10.737 -16.791 514 H ARG 64 H ARG 64 1.463 -7.672 -11.404 515 HA ARG 64 HA ARG 64 3.693 -7.317 -13.032 516 HB2 ARG 64 HB2 ARG 64 2.582 -5.471 -10.908 517 HB3 ARG 64 HB3 ARG 64 3.694 -5.000 -12.185 518 HG2 ARG 64 HG2 ARG 64 0.924 -6.087 -12.636 519 HG3 ARG 64 HG3 ARG 64 1.357 -4.376 -12.648 520 HD2 ARG 64 HD2 ARG 64 2.897 -4.786 -14.510 521 HD3 ARG 64 HD3 ARG 64 2.456 -6.493 -14.497 522 HE ARG 64 HE ARG 64 0.108 -5.030 -14.784 523 HH11 ARG 64 HH11 ARG 64 3.053 -5.607 -16.557 524 HH12 ARG 64 HH12 ARG 64 2.315 -5.382 -18.107 525 HH21 ARG 64 HH21 ARG 64 -0.871 -4.733 -16.821 526 HH22 ARG 64 HH22 ARG 64 0.085 -4.885 -18.258 527 H ASN 65 H ASN 65 3.557 -8.613 -10.003 528 HA ASN 65 HA ASN 65 5.126 -9.248 -8.497 529 HB2 ASN 65 HB2 ASN 65 7.086 -8.140 -10.517 530 HB3 ASN 65 HB3 ASN 65 7.509 -9.137 -9.129 531 HD21 ASN 65 HD21 ASN 65 5.093 -10.775 -9.409 532 HD22 ASN 65 HD22 ASN 65 5.391 -11.823 -10.749 533 H LEU 66 H LEU 66 4.044 -6.387 -8.650 534 HA LEU 66 HA LEU 66 6.108 -4.952 -7.222 535 HB2 LEU 66 HB2 LEU 66 3.257 -4.056 -7.449 536 HB3 LEU 66 HB3 LEU 66 4.697 -3.076 -7.281 537 HG LEU 66 HG LEU 66 3.624 -4.414 -9.741 538 HD11 LEU 66 HD11 LEU 66 4.637 -1.636 -9.179 539 HD12 LEU 66 HD12 LEU 66 2.940 -2.122 -9.209 540 HD13 LEU 66 HD13 LEU 66 3.907 -2.199 -10.683 541 HD21 LEU 66 HD21 LEU 66 5.971 -5.068 -9.633 542 HD22 LEU 66 HD22 LEU 66 6.432 -3.388 -9.364 543 HD23 LEU 66 HD23 LEU 66 5.711 -3.867 -10.898 544 H VAL 67 H VAL 67 3.148 -6.649 -6.533 545 HA VAL 67 HA VAL 67 3.677 -6.339 -3.660 546 HB VAL 67 HB VAL 67 1.258 -7.093 -3.417 547 HG11 VAL 67 HG11 VAL 67 0.360 -4.872 -3.851 548 HG12 VAL 67 HG12 VAL 67 1.755 -4.494 -4.861 549 HG13 VAL 67 HG13 VAL 67 1.966 -4.762 -3.131 550 HG21 VAL 67 HG21 VAL 67 -0.204 -6.872 -5.300 551 HG22 VAL 67 HG22 VAL 67 1.076 -8.021 -5.691 552 HG23 VAL 67 HG23 VAL 67 1.139 -6.382 -6.333 553 H LEU 68 H LEU 68 2.762 -8.330 -2.391 554 HA LEU 68 HA LEU 68 3.342 -10.811 -3.839 555 HB2 LEU 68 HB2 LEU 68 5.329 -9.718 -2.467 556 HB3 LEU 68 HB3 LEU 68 4.502 -10.465 -1.119 557 HG LEU 68 HG LEU 68 5.478 -11.963 -3.552 558 HD11 LEU 68 HD11 LEU 68 7.241 -12.811 -2.091 559 HD12 LEU 68 HD12 LEU 68 6.679 -11.756 -0.795 560 HD13 LEU 68 HD13 LEU 68 7.344 -11.060 -2.272 561 HD21 LEU 68 HD21 LEU 68 4.409 -12.928 -0.901 562 HD22 LEU 68 HD22 LEU 68 5.064 -13.948 -2.181 563 HD23 LEU 68 HD23 LEU 68 3.584 -13.031 -2.457 564 H ARG 69 H ARG 69 1.698 -12.169 -3.500 565 HA ARG 69 HA ARG 69 -0.080 -11.779 -1.227 566 HB2 ARG 69 HB2 ARG 69 -1.349 -13.702 -2.345 567 HB3 ARG 69 HB3 ARG 69 -1.303 -12.157 -3.187 568 HG2 ARG 69 HG2 ARG 69 0.187 -12.936 -4.789 569 HG3 ARG 69 HG3 ARG 69 0.685 -14.310 -3.798 570 HD2 ARG 69 HD2 ARG 69 -1.515 -15.319 -4.077 571 HD3 ARG 69 HD3 ARG 69 -2.042 -13.935 -5.033 572 HE ARG 69 HE ARG 69 0.257 -15.037 -6.210 573 HH11 ARG 69 HH11 ARG 69 -3.101 -15.795 -5.670 574 HH12 ARG 69 HH12 ARG 69 -3.238 -16.787 -7.082 575 HH21 ARG 69 HH21 ARG 69 0.086 -16.343 -8.071 576 HH22 ARG 69 HH22 ARG 69 -1.425 -17.100 -8.446 577 H THR 70 H THR 70 -0.515 -13.368 0.342 578 HA THR 70 HA THR 70 1.346 -15.639 0.354 579 HB THR 70 HB THR 70 0.484 -14.307 2.895 580 HG1 THR 70 HG1 THR 70 2.840 -13.344 2.155 581 HG21 THR 70 HG21 THR 70 3.071 -14.938 3.197 582 HG22 THR 70 HG22 THR 70 2.631 -16.132 1.975 583 HG23 THR 70 HG23 THR 70 1.772 -16.083 3.515 584 H HIS 71 H HIS 71 0.690 -16.927 2.536 585 HA HIS 71 HA HIS 71 -0.953 -18.919 2.008 586 HB2 HIS 71 HB2 HIS 71 0.100 -17.643 4.350 587 HB3 HIS 71 HB3 HIS 71 -1.462 -18.361 4.693 588 HD1 HIS 71 HD1 HIS 71 -1.592 -21.022 3.912 589 HD2 HIS 71 HD2 HIS 71 2.164 -19.345 4.495 590 HE1 HIS 71 HE1 HIS 71 -0.023 -22.970 4.182 591 HE2 HIS 71 HE2 HIS 71 2.230 -21.930 4.623 592 H GLN 72 H GLN 72 -2.223 -15.883 3.414 593 HA GLN 72 HA GLN 72 -4.642 -15.745 2.708 594 HB2 GLN 72 HB2 GLN 72 -4.539 -18.315 4.004 595 HB3 GLN 72 HB3 GLN 72 -5.718 -17.290 4.809 596 HG2 GLN 72 HG2 GLN 72 -6.835 -16.889 2.679 597 HG3 GLN 72 HG3 GLN 72 -5.648 -17.905 1.863 598 HE21 GLN 72 HE21 GLN 72 -5.706 -20.131 2.162 599 HE22 GLN 72 HE22 GLN 72 -7.088 -20.934 2.817 600 HA PRO 73 HA PRO 73 -6.733 -14.874 3.213 601 HB2 PRO 73 HB2 PRO 73 -6.829 -11.946 3.443 602 HB3 PRO 73 HB3 PRO 73 -8.135 -13.122 3.611 603 HG2 PRO 73 HG2 PRO 73 -7.159 -11.775 5.724 604 HG3 PRO 73 HG3 PRO 73 -7.735 -13.447 5.858 605 HD2 PRO 73 HD2 PRO 73 -4.927 -12.420 5.670 606 HD3 PRO 73 HD3 PRO 73 -5.587 -13.703 6.704 607 H ALA 74 H ALA 74 -3.698 -13.909 3.356 608 HA ALA 74 HA ALA 74 -2.322 -14.292 1.425 609 HB1 ALA 74 HB1 ALA 74 -2.812 -13.263 -0.684 610 HB2 ALA 74 HB2 ALA 74 -4.220 -12.442 -0.014 611 HB3 ALA 74 HB3 ALA 74 -4.221 -14.198 -0.183 612 H ARG 75 H ARG 75 -0.945 -13.326 2.850 613 HA ARG 75 HA ARG 75 -1.088 -10.578 3.631 614 HB2 ARG 75 HB2 ARG 75 1.345 -12.372 3.552 615 HB3 ARG 75 HB3 ARG 75 1.131 -10.924 4.522 616 HG2 ARG 75 HG2 ARG 75 -0.317 -11.966 5.998 617 HG3 ARG 75 HG3 ARG 75 -0.722 -13.245 4.852 618 HD2 ARG 75 HD2 ARG 75 1.423 -14.271 5.133 619 HD3 ARG 75 HD3 ARG 75 2.007 -12.905 6.087 620 HE ARG 75 HE ARG 75 -0.223 -13.939 7.389 621 HH11 ARG 75 HH11 ARG 75 2.995 -14.959 6.523 622 HH12 ARG 75 HH12 ARG 75 3.157 -16.033 7.872 623 HH21 ARG 75 HH21 ARG 75 -0.018 -15.351 9.169 624 HH22 ARG 75 HH22 ARG 75 1.444 -16.256 9.376 625 H TYR 76 H TYR 76 -0.691 -8.876 2.335 626 HA TYR 76 HA TYR 76 0.870 -9.269 -0.024 627 HB2 TYR 76 HB2 TYR 76 -0.693 -6.889 0.971 628 HB3 TYR 76 HB3 TYR 76 0.135 -6.949 -0.582 629 HD1 TYR 76 HD1 TYR 76 -0.535 -8.788 -2.217 630 HD2 TYR 76 HD2 TYR 76 -2.868 -7.762 1.190 631 HE1 TYR 76 HE1 TYR 76 -2.486 -9.889 -3.234 632 HE2 TYR 76 HE2 TYR 76 -4.828 -8.855 0.183 633 HH TYR 76 HH TYR 76 -4.609 -10.900 -2.517 634 H SER 77 H SER 77 2.694 -8.004 -0.653 635 HA SER 77 HA SER 77 4.070 -6.643 1.433 636 HB2 SER 77 HB2 SER 77 5.332 -9.127 0.252 637 HB3 SER 77 HB3 SER 77 6.152 -7.963 1.294 638 HG SER 77 HG SER 77 5.459 -9.539 2.640 639 H LEU 78 H LEU 78 5.701 -5.303 0.669 640 HA LEU 78 HA LEU 78 5.433 -4.577 -2.112 641 HB2 LEU 78 HB2 LEU 78 6.970 -3.448 0.209 642 HB3 LEU 78 HB3 LEU 78 7.209 -2.851 -1.415 643 HG LEU 78 HG LEU 78 4.736 -2.653 0.282 644 HD11 LEU 78 HD11 LEU 78 5.045 -0.284 -0.058 645 HD12 LEU 78 HD12 LEU 78 6.407 -0.585 -1.135 646 HD13 LEU 78 HD13 LEU 78 6.531 -0.989 0.577 647 HD21 LEU 78 HD21 LEU 78 3.642 -1.595 -1.638 648 HD22 LEU 78 HD22 LEU 78 4.014 -3.289 -1.953 649 HD23 LEU 78 HD23 LEU 78 5.020 -2.020 -2.653 650 H THR 79 H THR 79 6.647 -5.452 -3.691 651 HA THR 79 HA THR 79 9.155 -6.718 -3.066 652 HB THR 79 HB THR 79 8.772 -6.607 -5.867 653 HG1 THR 79 HG1 THR 79 6.684 -6.199 -5.919 654 HG21 THR 79 HG21 THR 79 8.326 -9.001 -5.636 655 HG22 THR 79 HG22 THR 79 8.059 -8.791 -3.905 656 HG23 THR 79 HG23 THR 79 9.661 -8.514 -4.591 657 HA PRO 80 HA PRO 80 12.285 -3.843 -4.440 658 HB2 PRO 80 HB2 PRO 80 12.138 -4.920 -7.235 659 HB3 PRO 80 HB3 PRO 80 13.555 -4.495 -6.274 660 HG2 PRO 80 HG2 PRO 80 12.838 -7.032 -6.518 661 HG3 PRO 80 HG3 PRO 80 13.399 -6.409 -4.955 662 HD2 PRO 80 HD2 PRO 80 10.653 -7.116 -5.839 663 HD3 PRO 80 HD3 PRO 80 11.369 -7.183 -4.217 664 H GLU 81 H GLU 81 9.922 -4.248 -7.097 665 HA GLU 81 HA GLU 81 10.190 -1.546 -7.971 666 HB2 GLU 81 HB2 GLU 81 8.029 -3.577 -8.542 667 HB3 GLU 81 HB3 GLU 81 8.231 -2.049 -9.383 668 HG2 GLU 81 HG2 GLU 81 10.433 -2.789 -10.169 669 HG3 GLU 81 HG3 GLU 81 10.186 -4.333 -9.357 670 H GLY 82 H GLY 82 7.774 -3.259 -5.986 671 HA2 GLY 82 HA2 GLY 82 5.952 -1.059 -5.798 672 HA3 GLY 82 HA3 GLY 82 6.005 -2.452 -4.737 673 H LEU 83 H LEU 83 8.875 -1.984 -4.175 674 HA LEU 83 HA LEU 83 8.505 -0.355 -1.854 675 HB2 LEU 83 HB2 LEU 83 10.262 -2.344 -2.580 676 HB3 LEU 83 HB3 LEU 83 11.262 -0.911 -2.676 677 HG LEU 83 HG LEU 83 11.521 -1.907 -0.501 678 HD11 LEU 83 HD11 LEU 83 9.828 0.581 -0.346 679 HD12 LEU 83 HD12 LEU 83 11.576 0.518 -0.572 680 HD13 LEU 83 HD13 LEU 83 10.862 -0.042 0.941 681 HD21 LEU 83 HD21 LEU 83 9.419 -3.138 -0.413 682 HD22 LEU 83 HD22 LEU 83 8.535 -1.625 -0.216 683 HD23 LEU 83 HD23 LEU 83 9.648 -2.165 1.040 684 H GLU 84 H GLU 84 10.616 -0.097 -4.698 685 HA GLU 84 HA GLU 84 11.497 2.447 -4.347 686 HB2 GLU 84 HB2 GLU 84 10.812 1.100 -6.964 687 HB3 GLU 84 HB3 GLU 84 11.743 2.585 -6.836 688 HG2 GLU 84 HG2 GLU 84 13.457 1.415 -5.567 689 HG3 GLU 84 HG3 GLU 84 12.515 -0.070 -5.664 690 H LEU 85 H LEU 85 8.544 1.506 -6.061 691 HA LEU 85 HA LEU 85 7.815 4.126 -6.892 692 HB2 LEU 85 HB2 LEU 85 6.822 1.467 -7.147 693 HB3 LEU 85 HB3 LEU 85 5.536 2.469 -6.509 694 HG LEU 85 HG LEU 85 7.070 3.009 -9.052 695 HD11 LEU 85 HD11 LEU 85 4.982 2.431 -10.180 696 HD12 LEU 85 HD12 LEU 85 4.258 2.012 -8.628 697 HD13 LEU 85 HD13 LEU 85 5.612 1.071 -9.251 698 HD21 LEU 85 HD21 LEU 85 4.679 4.412 -7.865 699 HD22 LEU 85 HD22 LEU 85 5.399 4.748 -9.438 700 HD23 LEU 85 HD23 LEU 85 6.315 5.061 -7.964 701 H ALA 86 H ALA 86 7.033 2.058 -4.121 702 HA ALA 86 HA ALA 86 5.049 3.674 -2.956 703 HB1 ALA 86 HB1 ALA 86 5.463 1.386 -2.226 704 HB2 ALA 86 HB2 ALA 86 5.553 2.507 -0.868 705 HB3 ALA 86 HB3 ALA 86 7.032 1.865 -1.581 706 H GLN 87 H GLN 87 8.570 3.835 -2.785 707 HA GLN 87 HA GLN 87 8.715 5.718 -0.652 708 HB2 GLN 87 HB2 GLN 87 10.627 5.114 -2.919 709 HB3 GLN 87 HB3 GLN 87 10.992 6.212 -1.596 710 HG2 GLN 87 HG2 GLN 87 10.769 4.384 -0.003 711 HG3 GLN 87 HG3 GLN 87 10.379 3.280 -1.319 712 HE21 GLN 87 HE21 GLN 87 12.874 5.131 0.231 713 HE22 GLN 87 HE22 GLN 87 14.211 4.372 -0.557 714 H LYS 88 H LYS 88 8.586 5.964 -4.161 715 HA LYS 88 HA LYS 88 8.606 8.686 -4.381 716 HB2 LYS 88 HB2 LYS 88 6.991 6.874 -6.167 717 HB3 LYS 88 HB3 LYS 88 7.786 8.380 -6.589 718 HG2 LYS 88 HG2 LYS 88 9.966 7.340 -6.264 719 HG3 LYS 88 HG3 LYS 88 9.181 5.838 -5.793 720 HD2 LYS 88 HD2 LYS 88 8.089 5.803 -8.049 721 HD3 LYS 88 HD3 LYS 88 9.118 7.167 -8.493 722 HE2 LYS 88 HE2 LYS 88 11.107 5.810 -8.012 723 HE3 LYS 88 HE3 LYS 88 10.072 4.446 -7.588 724 HZ1 LYS 88 HZ1 LYS 88 10.219 5.748 -10.256 725 HZ2 LYS 88 HZ2 LYS 88 9.220 4.444 -9.853 726 HZ3 LYS 88 HZ3 LYS 88 10.901 4.254 -9.845 727 H LEU 89 H LEU 89 5.825 6.558 -3.914 728 HA LEU 89 HA LEU 89 3.870 8.617 -4.082 729 HB2 LEU 89 HB2 LEU 89 3.890 5.789 -3.078 730 HB3 LEU 89 HB3 LEU 89 2.482 6.810 -2.868 731 HG LEU 89 HG LEU 89 2.273 7.053 -5.285 732 HD11 LEU 89 HD11 LEU 89 4.679 6.873 -5.823 733 HD12 LEU 89 HD12 LEU 89 3.653 5.857 -6.834 734 HD13 LEU 89 HD13 LEU 89 4.577 5.139 -5.516 735 HD21 LEU 89 HD21 LEU 89 1.550 4.820 -5.791 736 HD22 LEU 89 HD22 LEU 89 1.199 5.158 -4.096 737 HD23 LEU 89 HD23 LEU 89 2.586 4.157 -4.527 738 H ALA 90 H ALA 90 5.852 7.235 -1.635 739 HA ALA 90 HA ALA 90 4.553 8.329 0.596 740 HB1 ALA 90 HB1 ALA 90 6.371 7.538 1.868 741 HB2 ALA 90 HB2 ALA 90 7.462 7.594 0.485 742 HB3 ALA 90 HB3 ALA 90 6.167 6.398 0.538 743 H GLU 91 H GLU 91 7.379 9.489 -1.203 744 HA GLU 91 HA GLU 91 8.020 11.621 0.480 745 HB2 GLU 91 HB2 GLU 91 9.096 12.660 -1.535 746 HB3 GLU 91 HB3 GLU 91 9.610 11.016 -1.175 747 HG2 GLU 91 HG2 GLU 91 9.297 10.856 -3.415 748 HG3 GLU 91 HG3 GLU 91 7.700 10.404 -2.824 749 H SER 92 H SER 92 5.809 11.528 -2.287 750 HA SER 92 HA SER 92 4.967 14.060 -2.310 751 HB2 SER 92 HB2 SER 92 4.145 12.367 -3.878 752 HB3 SER 92 HB3 SER 92 3.169 11.640 -2.602 753 HG SER 92 HG SER 92 2.112 13.192 -4.097 754 H GLU 93 H GLU 93 4.205 11.748 0.188 755 HA GLU 93 HA GLU 93 2.072 13.427 1.294 756 HB2 GLU 93 HB2 GLU 93 3.118 10.796 2.342 757 HB3 GLU 93 HB3 GLU 93 1.635 11.615 2.801 758 HG2 GLU 93 HG2 GLU 93 2.178 10.527 0.055 759 HG3 GLU 93 HG3 GLU 93 1.319 9.654 1.321 760 H GLY 94 H GLY 94 5.334 13.297 1.255 761 HA2 GLY 94 HA2 GLY 94 6.833 14.554 2.531 762 HA3 GLY 94 HA3 GLY 94 5.550 14.854 3.699 763 H LEU 95 H LEU 95 5.222 11.729 3.266 764 HA LEU 95 HA LEU 95 6.008 9.768 4.118 765 HB2 LEU 95 HB2 LEU 95 8.318 10.749 3.429 766 HB3 LEU 95 HB3 LEU 95 8.489 11.114 5.135 767 HG LEU 95 HG LEU 95 9.592 8.994 4.429 768 HD11 LEU 95 HD11 LEU 95 8.798 7.640 6.281 769 HD12 LEU 95 HD12 LEU 95 7.346 8.634 6.404 770 HD13 LEU 95 HD13 LEU 95 8.927 9.334 6.756 771 HD21 LEU 95 HD21 LEU 95 6.756 8.085 3.961 772 HD22 LEU 95 HD22 LEU 95 8.172 7.034 3.994 773 HD23 LEU 95 HD23 LEU 95 8.019 8.268 2.745 774 H SER 96 H SER 96 4.216 11.240 5.409 775 HA SER 96 HA SER 96 5.005 10.989 8.213 776 HB2 SER 96 HB2 SER 96 2.766 12.555 6.904 777 HB3 SER 96 HB3 SER 96 3.094 12.525 8.637 778 HG SER 96 HG SER 96 4.028 14.333 7.486 779 H LEU 97 H LEU 97 4.253 8.638 6.761 780 HA LEU 97 HA LEU 97 1.457 8.107 7.433 781 HB2 LEU 97 HB2 LEU 97 3.496 6.385 6.017 782 HB3 LEU 97 HB3 LEU 97 1.829 5.938 6.319 783 HG LEU 97 HG LEU 97 1.188 7.983 4.926 784 HD11 LEU 97 HD11 LEU 97 3.308 9.138 4.929 785 HD12 LEU 97 HD12 LEU 97 2.884 8.687 3.278 786 HD13 LEU 97 HD13 LEU 97 4.096 7.759 4.162 787 HD21 LEU 97 HD21 LEU 97 1.470 6.758 2.830 788 HD22 LEU 97 HD22 LEU 97 0.947 5.695 4.136 789 HD23 LEU 97 HD23 LEU 97 2.632 5.686 3.612 790 H LEU 98 H LEU 98 4.268 5.953 7.638 791 HA LEU 98 HA LEU 98 3.501 5.007 10.166 792 HB2 LEU 98 HB2 LEU 98 4.837 3.743 8.480 793 HB3 LEU 98 HB3 LEU 98 6.213 4.757 8.867 794 HG LEU 98 HG LEU 98 6.069 3.919 11.228 795 HD11 LEU 98 HD11 LEU 98 4.817 1.862 11.632 796 HD12 LEU 98 HD12 LEU 98 4.128 1.962 10.011 797 HD13 LEU 98 HD13 LEU 98 3.746 3.199 11.209 798 HD21 LEU 98 HD21 LEU 98 7.707 3.028 9.675 799 HD22 LEU 98 HD22 LEU 98 6.522 1.881 9.053 800 HD23 LEU 98 HD23 LEU 98 7.091 1.745 10.717 801 H ASN 99 H ASN 99 4.451 5.236 12.210 802 HA ASN 99 HA ASN 99 5.316 6.392 13.961 803 HB2 ASN 99 HB2 ASN 99 7.401 7.126 11.898 804 HB3 ASN 99 HB3 ASN 99 7.552 7.455 13.621 805 HD21 ASN 99 HD21 ASN 99 7.808 5.726 15.058 806 HD22 ASN 99 HD22 ASN 99 8.350 4.177 14.520 807 H VAL 100 H VAL 100 3.849 7.919 14.489 808 HA VAL 100 HA VAL 100 4.277 10.601 13.376 809 HB VAL 100 HB VAL 100 1.844 11.022 13.380 810 HG11 VAL 100 HG11 VAL 100 2.956 10.424 11.302 811 HG12 VAL 100 HG12 VAL 100 1.324 9.757 11.344 812 HG13 VAL 100 HG13 VAL 100 2.712 8.712 11.646 813 HG21 VAL 100 HG21 VAL 100 1.167 9.336 15.002 814 HG22 VAL 100 HG22 VAL 100 1.626 8.054 13.881 815 HG23 VAL 100 HG23 VAL 100 0.285 9.131 13.488 816 H GLY 101 H GLY 101 3.878 12.313 14.791 817 HA2 GLY 101 HA2 GLY 101 2.684 12.168 17.280 818 HA3 GLY 101 HA3 GLY 101 4.372 11.754 17.539 819 H ILE 102 H ILE 102 5.797 13.360 17.796 820 HA ILE 102 HA ILE 102 4.817 16.094 17.564 821 HB ILE 102 HB ILE 102 7.341 14.993 18.806 822 HG12 ILE 102 HG12 ILE 102 6.215 15.910 20.907 823 HG13 ILE 102 HG13 ILE 102 4.750 16.048 19.942 824 HG21 ILE 102 HG21 ILE 102 6.340 17.834 18.701 825 HG22 ILE 102 HG22 ILE 102 7.789 17.198 17.922 826 HG23 ILE 102 HG23 ILE 102 7.692 17.269 19.682 827 HD11 ILE 102 HD11 ILE 102 4.739 13.661 19.567 828 HD12 ILE 102 HD12 ILE 102 4.809 14.007 21.295 829 HD13 ILE 102 HD13 ILE 102 6.263 13.495 20.438 830 H GLY 103 H GLY 103 7.819 14.359 16.693 831 HA2 GLY 103 HA2 GLY 103 7.902 15.824 14.183 832 HA3 GLY 103 HA3 GLY 103 9.249 16.113 15.274 Start of MODEL 5 1 H GLY 1 H GLY 1 6.553 2.417 -21.792 2 HA2 GLY 1 HA2 GLY 1 8.524 3.408 -20.822 3 HA3 GLY 1 HA3 GLY 1 7.107 4.415 -20.568 4 H SER 2 H SER 2 6.103 4.408 -18.474 5 HA SER 2 HA SER 2 7.620 3.193 -16.295 6 HB2 SER 2 HB2 SER 2 7.073 6.165 -16.480 7 HB3 SER 2 HB3 SER 2 7.745 5.340 -15.074 8 HG SER 2 HG SER 2 9.381 6.252 -16.377 9 H TYR 3 H TYR 3 6.369 2.554 -14.635 10 HA TYR 3 HA TYR 3 3.501 2.959 -14.877 11 HB2 TYR 3 HB2 TYR 3 4.446 0.696 -14.455 12 HB3 TYR 3 HB3 TYR 3 5.047 1.265 -12.903 13 HD1 TYR 3 HD1 TYR 3 1.973 0.591 -14.848 14 HD2 TYR 3 HD2 TYR 3 3.629 1.364 -11.007 15 HE1 TYR 3 HE1 TYR 3 -0.172 -0.012 -13.810 16 HE2 TYR 3 HE2 TYR 3 1.488 0.762 -9.957 17 HH TYR 3 HH TYR 3 -0.901 0.659 -10.575 18 H TRP 4 H TRP 4 2.794 4.844 -14.058 19 HA TRP 4 HA TRP 4 3.448 5.413 -11.246 20 HB2 TRP 4 HB2 TRP 4 4.760 6.890 -12.710 21 HB3 TRP 4 HB3 TRP 4 3.279 7.437 -13.489 22 HD1 TRP 4 HD1 TRP 4 1.788 9.206 -12.190 23 HE1 TRP 4 HE1 TRP 4 2.241 10.695 -10.139 24 HE3 TRP 4 HE3 TRP 4 6.012 6.919 -10.442 25 HZ2 TRP 4 HZ2 TRP 4 4.138 10.876 -8.057 26 HZ3 TRP 4 HZ3 TRP 4 7.085 7.812 -8.416 27 HH2 TRP 4 HH2 TRP 4 6.167 9.750 -7.250 28 HA PRO 5 HA PRO 5 -1.108 5.281 -11.373 29 HB2 PRO 5 HB2 PRO 5 -0.766 5.402 -8.447 30 HB3 PRO 5 HB3 PRO 5 -1.622 4.210 -9.429 31 HG2 PRO 5 HG2 PRO 5 0.702 3.627 -8.223 32 HG3 PRO 5 HG3 PRO 5 0.284 2.964 -9.815 33 HD2 PRO 5 HD2 PRO 5 2.110 5.236 -9.126 34 HD3 PRO 5 HD3 PRO 5 2.316 3.952 -10.337 35 H ALA 6 H ALA 6 -2.786 6.678 -10.272 36 HA ALA 6 HA ALA 6 -2.088 9.378 -10.449 37 HB1 ALA 6 HB1 ALA 6 -4.579 8.197 -9.229 38 HB2 ALA 6 HB2 ALA 6 -4.329 8.520 -10.944 39 HB3 ALA 6 HB3 ALA 6 -4.376 9.855 -9.794 40 H ARG 7 H ARG 7 -3.956 8.571 -7.615 41 HA ARG 7 HA ARG 7 -1.813 9.246 -5.809 42 HB2 ARG 7 HB2 ARG 7 -4.227 11.055 -6.032 43 HB3 ARG 7 HB3 ARG 7 -3.033 11.126 -4.744 44 HG2 ARG 7 HG2 ARG 7 -1.303 11.683 -6.375 45 HG3 ARG 7 HG3 ARG 7 -2.501 11.611 -7.668 46 HD2 ARG 7 HD2 ARG 7 -3.750 13.430 -6.600 47 HD3 ARG 7 HD3 ARG 7 -2.538 13.505 -5.320 48 HE ARG 7 HE ARG 7 -1.268 13.807 -7.807 49 HH11 ARG 7 HH11 ARG 7 -3.427 15.518 -5.674 50 HH12 ARG 7 HH12 ARG 7 -2.916 17.085 -6.205 51 HH21 ARG 7 HH21 ARG 7 -0.590 15.864 -8.512 52 HH22 ARG 7 HH22 ARG 7 -1.303 17.282 -7.820 53 H HIS 8 H HIS 8 -5.382 9.146 -5.913 54 HA HIS 8 HA HIS 8 -5.363 7.589 -3.430 55 HB2 HIS 8 HB2 HIS 8 -7.702 8.816 -4.910 56 HB3 HIS 8 HB3 HIS 8 -7.754 8.075 -3.314 57 HD1 HIS 8 HD1 HIS 8 -7.655 11.275 -4.812 58 HD2 HIS 8 HD2 HIS 8 -5.803 9.572 -1.505 59 HE1 HIS 8 HE1 HIS 8 -6.931 13.209 -3.378 60 HE2 HIS 8 HE2 HIS 8 -5.747 12.157 -1.419 61 H SER 9 H SER 9 -5.068 6.901 -6.555 62 HA SER 9 HA SER 9 -7.047 5.045 -7.186 63 HB2 SER 9 HB2 SER 9 -4.127 5.037 -7.992 64 HB3 SER 9 HB3 SER 9 -5.396 4.089 -8.766 65 HG SER 9 HG SER 9 -5.663 5.794 -9.956 66 H GLY 10 H GLY 10 -6.857 2.674 -7.280 67 HA2 GLY 10 HA2 GLY 10 -6.404 1.528 -4.809 68 HA3 GLY 10 HA3 GLY 10 -6.526 0.623 -6.309 69 H ALA 11 H ALA 11 -4.338 1.117 -7.687 70 HA ALA 11 HA ALA 11 -2.375 -0.462 -6.443 71 HB1 ALA 11 HB1 ALA 11 -0.962 0.152 -8.356 72 HB2 ALA 11 HB2 ALA 11 -2.144 1.377 -8.818 73 HB3 ALA 11 HB3 ALA 11 -2.585 -0.332 -8.849 74 H ARG 12 H ARG 12 -2.835 2.997 -6.579 75 HA ARG 12 HA ARG 12 -0.221 3.760 -5.735 76 HB2 ARG 12 HB2 ARG 12 -2.358 5.078 -6.762 77 HB3 ARG 12 HB3 ARG 12 -2.507 5.510 -5.071 78 HG2 ARG 12 HG2 ARG 12 0.080 5.840 -6.533 79 HG3 ARG 12 HG3 ARG 12 -1.187 7.065 -6.609 80 HD2 ARG 12 HD2 ARG 12 -1.161 7.171 -4.132 81 HD3 ARG 12 HD3 ARG 12 0.194 6.045 -4.131 82 HE ARG 12 HE ARG 12 0.999 8.079 -5.761 83 HH11 ARG 12 HH11 ARG 12 -0.140 7.865 -2.475 84 HH12 ARG 12 HH12 ARG 12 0.764 9.241 -1.938 85 HH21 ARG 12 HH21 ARG 12 2.188 9.890 -5.064 86 HH22 ARG 12 HH22 ARG 12 2.088 10.391 -3.410 87 H VAL 13 H VAL 13 -3.339 3.778 -4.079 88 HA VAL 13 HA VAL 13 -2.386 4.349 -1.552 89 HB VAL 13 HB VAL 13 -4.901 2.876 -2.330 90 HG11 VAL 13 HG11 VAL 13 -4.146 4.209 0.263 91 HG12 VAL 13 HG12 VAL 13 -4.432 2.488 0.000 92 HG13 VAL 13 HG13 VAL 13 -5.763 3.637 -0.147 93 HG21 VAL 13 HG21 VAL 13 -4.654 5.111 -3.331 94 HG22 VAL 13 HG22 VAL 13 -4.440 5.794 -1.720 95 HG23 VAL 13 HG23 VAL 13 -5.974 5.046 -2.163 96 H ILE 14 H ILE 14 -2.674 1.207 -3.138 97 HA ILE 14 HA ILE 14 -2.433 -0.296 -0.735 98 HB ILE 14 HB ILE 14 -2.081 -2.243 -2.141 99 HG12 ILE 14 HG12 ILE 14 -2.099 -0.313 -4.468 100 HG13 ILE 14 HG13 ILE 14 -0.693 -1.198 -3.890 101 HG21 ILE 14 HG21 ILE 14 -4.334 -1.647 -1.749 102 HG22 ILE 14 HG22 ILE 14 -4.209 -2.083 -3.454 103 HG23 ILE 14 HG23 ILE 14 -4.282 -0.386 -2.980 104 HD11 ILE 14 HD11 ILE 14 -1.684 -2.217 -5.877 105 HD12 ILE 14 HD12 ILE 14 -3.192 -2.454 -4.994 106 HD13 ILE 14 HD13 ILE 14 -1.729 -3.298 -4.485 107 H LEU 15 H LEU 15 -0.026 0.143 -3.382 108 HA LEU 15 HA LEU 15 2.035 -1.013 -2.004 109 HB2 LEU 15 HB2 LEU 15 2.408 1.275 -3.926 110 HB3 LEU 15 HB3 LEU 15 3.546 0.001 -3.558 111 HG LEU 15 HG LEU 15 0.875 -0.600 -4.793 112 HD11 LEU 15 HD11 LEU 15 1.928 0.986 -6.265 113 HD12 LEU 15 HD12 LEU 15 2.035 -0.626 -6.968 114 HD13 LEU 15 HD13 LEU 15 3.448 0.094 -6.197 115 HD21 LEU 15 HD21 LEU 15 2.037 -2.611 -5.555 116 HD22 LEU 15 HD22 LEU 15 2.088 -2.466 -3.798 117 HD23 LEU 15 HD23 LEU 15 3.512 -2.063 -4.758 118 H LEU 16 H LEU 16 0.794 2.214 -1.572 119 HA LEU 16 HA LEU 16 3.170 3.263 -0.310 120 HB2 LEU 16 HB2 LEU 16 1.657 4.714 -1.560 121 HB3 LEU 16 HB3 LEU 16 0.337 4.273 -0.498 122 HG LEU 16 HG LEU 16 1.523 5.307 1.383 123 HD11 LEU 16 HD11 LEU 16 3.804 5.053 0.564 124 HD12 LEU 16 HD12 LEU 16 3.457 6.739 0.954 125 HD13 LEU 16 HD13 LEU 16 3.475 6.207 -0.728 126 HD21 LEU 16 HD21 LEU 16 1.164 7.628 0.673 127 HD22 LEU 16 HD22 LEU 16 -0.141 6.563 0.150 128 HD23 LEU 16 HD23 LEU 16 1.083 7.088 -1.005 129 H VAL 17 H VAL 17 -0.088 2.264 0.619 130 HA VAL 17 HA VAL 17 0.257 2.545 3.356 131 HB VAL 17 HB VAL 17 -1.842 2.160 1.864 132 HG11 VAL 17 HG11 VAL 17 -1.313 -0.079 1.148 133 HG12 VAL 17 HG12 VAL 17 -2.808 -0.061 2.087 134 HG13 VAL 17 HG13 VAL 17 -1.311 -0.636 2.825 135 HG21 VAL 17 HG21 VAL 17 -1.614 1.160 4.691 136 HG22 VAL 17 HG22 VAL 17 -3.132 1.533 3.873 137 HG23 VAL 17 HG23 VAL 17 -1.954 2.812 4.173 138 H LEU 18 H LEU 18 0.815 -0.279 1.275 139 HA LEU 18 HA LEU 18 1.531 -2.051 3.321 140 HB2 LEU 18 HB2 LEU 18 2.004 -1.884 0.380 141 HB3 LEU 18 HB3 LEU 18 2.979 -3.018 1.294 142 HG LEU 18 HG LEU 18 0.909 -3.918 0.191 143 HD11 LEU 18 HD11 LEU 18 0.372 -5.378 2.096 144 HD12 LEU 18 HD12 LEU 18 1.250 -4.281 3.160 145 HD13 LEU 18 HD13 LEU 18 2.109 -5.154 1.891 146 HD21 LEU 18 HD21 LEU 18 -0.423 -2.402 2.423 147 HD22 LEU 18 HD22 LEU 18 -1.191 -3.680 1.482 148 HD23 LEU 18 HD23 LEU 18 -0.679 -2.192 0.692 149 H TYR 19 H TYR 19 3.136 0.561 1.822 150 HA TYR 19 HA TYR 19 5.854 -0.169 2.158 151 HB2 TYR 19 HB2 TYR 19 5.184 1.646 0.679 152 HB3 TYR 19 HB3 TYR 19 4.554 2.553 2.045 153 HD1 TYR 19 HD1 TYR 19 7.676 1.232 0.543 154 HD2 TYR 19 HD2 TYR 19 5.946 3.961 3.313 155 HE1 TYR 19 HE1 TYR 19 9.860 2.329 0.819 156 HE2 TYR 19 HE2 TYR 19 8.125 5.065 3.593 157 HH TYR 19 HH TYR 19 10.512 4.532 3.311 158 H ARG 20 H ARG 20 3.947 2.169 4.091 159 HA ARG 20 HA ARG 20 5.718 2.491 6.115 160 HB2 ARG 20 HB2 ARG 20 3.609 2.823 7.586 161 HB3 ARG 20 HB3 ARG 20 3.883 3.892 6.217 162 HG2 ARG 20 HG2 ARG 20 2.390 2.304 4.899 163 HG3 ARG 20 HG3 ARG 20 1.936 1.629 6.467 164 HD2 ARG 20 HD2 ARG 20 1.693 4.525 5.678 165 HD3 ARG 20 HD3 ARG 20 0.368 3.362 5.684 166 HE ARG 20 HE ARG 20 1.539 3.372 8.224 167 HH11 ARG 20 HH11 ARG 20 -0.300 5.484 6.150 168 HH12 ARG 20 HH12 ARG 20 -1.038 6.340 7.462 169 HH21 ARG 20 HH21 ARG 20 0.571 4.492 9.956 170 HH22 ARG 20 HH22 ARG 20 -0.544 5.776 9.625 171 H GLU 21 H GLU 21 3.286 -0.132 5.990 172 HA GLU 21 HA GLU 21 3.887 -1.103 8.608 173 HB2 GLU 21 HB2 GLU 21 1.763 -1.602 7.381 174 HB3 GLU 21 HB3 GLU 21 2.690 -2.637 6.300 175 HG2 GLU 21 HG2 GLU 21 1.640 -3.994 7.968 176 HG3 GLU 21 HG3 GLU 21 3.378 -3.991 8.244 177 H HIS 22 H HIS 22 5.419 -1.293 5.561 178 HA HIS 22 HA HIS 22 6.713 -3.859 6.004 179 HB2 HIS 22 HB2 HIS 22 6.238 -3.290 3.719 180 HB3 HIS 22 HB3 HIS 22 7.082 -1.754 3.872 181 HD1 HIS 22 HD1 HIS 22 7.599 -5.309 3.090 182 HD2 HIS 22 HD2 HIS 22 9.948 -2.019 4.051 183 HE1 HIS 22 HE1 HIS 22 9.946 -5.947 2.449 184 HE2 HIS 22 HE2 HIS 22 11.335 -3.909 2.959 185 H LEU 23 H LEU 23 7.532 -0.404 6.025 186 HA LEU 23 HA LEU 23 10.139 -0.710 6.874 187 HB2 LEU 23 HB2 LEU 23 8.169 1.534 7.195 188 HB3 LEU 23 HB3 LEU 23 9.796 1.660 7.835 189 HG LEU 23 HG LEU 23 10.609 1.156 5.485 190 HD11 LEU 23 HD11 LEU 23 9.092 1.628 3.659 191 HD12 LEU 23 HD12 LEU 23 7.765 1.866 4.797 192 HD13 LEU 23 HD13 LEU 23 8.499 0.272 4.615 193 HD21 LEU 23 HD21 LEU 23 9.072 3.698 5.986 194 HD22 LEU 23 HD22 LEU 23 10.326 3.480 4.765 195 HD23 LEU 23 HD23 LEU 23 10.733 3.371 6.478 196 H ASN 24 H ASN 24 7.472 -1.638 8.541 197 HA ASN 24 HA ASN 24 8.264 -0.909 11.180 198 HB2 ASN 24 HB2 ASN 24 6.181 -2.762 10.061 199 HB3 ASN 24 HB3 ASN 24 6.534 -2.743 11.787 200 HD21 ASN 24 HD21 ASN 24 5.970 -0.986 13.017 201 HD22 ASN 24 HD22 ASN 24 4.939 0.273 12.436 202 HA PRO 25 HA PRO 25 11.447 -4.115 11.413 203 HB2 PRO 25 HB2 PRO 25 11.745 -3.009 14.131 204 HB3 PRO 25 HB3 PRO 25 12.946 -3.189 12.853 205 HG2 PRO 25 HG2 PRO 25 11.977 -0.786 13.535 206 HG3 PRO 25 HG3 PRO 25 12.379 -1.184 11.854 207 HD2 PRO 25 HD2 PRO 25 9.700 -1.076 13.187 208 HD3 PRO 25 HD3 PRO 25 10.176 -0.544 11.565 209 H ASN 26 H ASN 26 8.857 -3.471 13.689 210 HA ASN 26 HA ASN 26 9.124 -6.204 14.665 211 HB2 ASN 26 HB2 ASN 26 9.836 -4.733 16.492 212 HB3 ASN 26 HB3 ASN 26 8.318 -3.849 16.376 213 HD21 ASN 26 HD21 ASN 26 6.427 -4.796 17.121 214 HD22 ASN 26 HD22 ASN 26 6.435 -6.180 18.154 215 H GLY 27 H GLY 27 7.256 -3.785 13.285 216 HA2 GLY 27 HA2 GLY 27 4.707 -5.035 13.965 217 HA3 GLY 27 HA3 GLY 27 4.922 -3.535 13.075 218 H HIS 28 H HIS 28 6.615 -6.505 12.312 219 HA HIS 28 HA HIS 28 6.484 -7.968 10.570 220 HB2 HIS 28 HB2 HIS 28 3.655 -6.945 10.238 221 HB3 HIS 28 HB3 HIS 28 4.334 -8.360 9.444 222 HD1 HIS 28 HD1 HIS 28 4.736 -10.469 10.926 223 HD2 HIS 28 HD2 HIS 28 2.847 -7.318 12.868 224 HE1 HIS 28 HE1 HIS 28 3.806 -11.448 13.049 225 HE2 HIS 28 HE2 HIS 28 2.590 -9.543 14.162 226 H HIS 29 H HIS 29 5.584 -7.817 8.049 227 HA HIS 29 HA HIS 29 6.231 -5.149 7.042 228 HB2 HIS 29 HB2 HIS 29 7.799 -6.109 5.380 229 HB3 HIS 29 HB3 HIS 29 8.361 -6.321 7.034 230 HD1 HIS 29 HD1 HIS 29 8.565 -8.714 7.917 231 HD2 HIS 29 HD2 HIS 29 7.036 -8.487 4.061 232 HE1 HIS 29 HE1 HIS 29 8.605 -11.070 7.039 233 HE2 HIS 29 HE2 HIS 29 7.753 -10.896 4.674 234 H PHE 30 H PHE 30 3.749 -6.483 7.195 235 HA PHE 30 HA PHE 30 2.963 -6.446 4.434 236 HB2 PHE 30 HB2 PHE 30 1.903 -8.670 4.420 237 HB3 PHE 30 HB3 PHE 30 3.646 -8.792 4.586 238 HD1 PHE 30 HD1 PHE 30 0.425 -9.264 6.225 239 HD2 PHE 30 HD2 PHE 30 4.647 -9.552 6.666 240 HE1 PHE 30 HE1 PHE 30 0.114 -10.632 8.243 241 HE2 PHE 30 HE2 PHE 30 4.344 -10.923 8.687 242 HZ PHE 30 HZ PHE 30 2.073 -11.464 9.477 243 H LEU 31 H LEU 31 0.568 -6.768 4.213 244 HA LEU 31 HA LEU 31 -1.015 -6.560 6.652 245 HB2 LEU 31 HB2 LEU 31 -0.736 -4.456 4.527 246 HB3 LEU 31 HB3 LEU 31 -2.177 -4.572 5.508 247 HG LEU 31 HG LEU 31 0.609 -4.095 6.548 248 HD11 LEU 31 HD11 LEU 31 -1.742 -2.240 6.237 249 HD12 LEU 31 HD12 LEU 31 -0.220 -2.170 5.350 250 HD13 LEU 31 HD13 LEU 31 -0.246 -1.850 7.084 251 HD21 LEU 31 HD21 LEU 31 -0.737 -5.320 8.154 252 HD22 LEU 31 HD22 LEU 31 -2.047 -4.152 7.974 253 HD23 LEU 31 HD23 LEU 31 -0.514 -3.655 8.689 254 H THR 32 H THR 32 -3.255 -6.960 6.322 255 HA THR 32 HA THR 32 -3.752 -8.590 3.930 256 HB THR 32 HB THR 32 -5.686 -9.500 5.103 257 HG1 THR 32 HG1 THR 32 -5.689 -8.812 7.492 258 HG21 THR 32 HG21 THR 32 -3.212 -9.501 6.840 259 HG22 THR 32 HG22 THR 32 -3.532 -10.586 5.487 260 HG23 THR 32 HG23 THR 32 -4.535 -10.664 6.936 261 H LYS 33 H LYS 33 -5.520 -8.094 2.563 262 HA LYS 33 HA LYS 33 -6.236 -5.622 2.072 263 HB2 LYS 33 HB2 LYS 33 -7.113 -8.029 1.127 264 HB3 LYS 33 HB3 LYS 33 -8.596 -7.348 1.780 265 HG2 LYS 33 HG2 LYS 33 -8.115 -5.276 0.448 266 HG3 LYS 33 HG3 LYS 33 -6.813 -6.171 -0.334 267 HD2 LYS 33 HD2 LYS 33 -8.529 -7.897 -0.974 268 HD3 LYS 33 HD3 LYS 33 -9.763 -6.774 -0.398 269 HE2 LYS 33 HE2 LYS 33 -9.541 -6.513 -2.776 270 HE3 LYS 33 HE3 LYS 33 -8.884 -5.077 -1.989 271 HZ1 LYS 33 HZ1 LYS 33 -6.663 -5.960 -2.292 272 HZ2 LYS 33 HZ2 LYS 33 -7.457 -5.859 -3.782 273 HZ3 LYS 33 HZ3 LYS 33 -7.282 -7.358 -3.020 274 H GLU 34 H GLU 34 -7.627 -7.503 4.650 275 HA GLU 34 HA GLU 34 -9.835 -5.769 5.181 276 HB2 GLU 34 HB2 GLU 34 -8.438 -7.775 6.963 277 HB3 GLU 34 HB3 GLU 34 -9.967 -6.988 7.328 278 HG2 GLU 34 HG2 GLU 34 -9.448 -8.837 5.012 279 HG3 GLU 34 HG3 GLU 34 -10.299 -9.250 6.501 280 H GLU 35 H GLU 35 -6.510 -6.009 6.272 281 HA GLU 35 HA GLU 35 -6.743 -4.041 8.331 282 HB2 GLU 35 HB2 GLU 35 -4.321 -5.155 6.905 283 HB3 GLU 35 HB3 GLU 35 -4.239 -4.052 8.271 284 HG2 GLU 35 HG2 GLU 35 -5.363 -5.680 9.679 285 HG3 GLU 35 HG3 GLU 35 -5.499 -6.784 8.312 286 H LEU 36 H LEU 36 -5.524 -3.985 5.002 287 HA LEU 36 HA LEU 36 -4.745 -1.449 4.776 288 HB2 LEU 36 HB2 LEU 36 -6.470 -2.649 2.630 289 HB3 LEU 36 HB3 LEU 36 -5.106 -1.565 2.445 290 HG LEU 36 HG LEU 36 -5.011 -4.465 3.241 291 HD11 LEU 36 HD11 LEU 36 -4.044 -2.991 0.801 292 HD12 LEU 36 HD12 LEU 36 -5.348 -4.177 0.882 293 HD13 LEU 36 HD13 LEU 36 -3.681 -4.677 1.168 294 HD21 LEU 36 HD21 LEU 36 -2.771 -2.460 3.023 295 HD22 LEU 36 HD22 LEU 36 -2.568 -4.199 3.235 296 HD23 LEU 36 HD23 LEU 36 -3.339 -3.242 4.499 297 H LEU 37 H LEU 37 -8.083 -2.507 4.921 298 HA LEU 37 HA LEU 37 -9.385 -0.224 4.072 299 HB2 LEU 37 HB2 LEU 37 -10.196 -2.042 6.344 300 HB3 LEU 37 HB3 LEU 37 -11.259 -0.937 5.496 301 HG LEU 37 HG LEU 37 -9.886 -3.330 4.268 302 HD11 LEU 37 HD11 LEU 37 -12.772 -2.878 5.013 303 HD12 LEU 37 HD12 LEU 37 -11.648 -3.968 5.824 304 HD13 LEU 37 HD13 LEU 37 -12.133 -4.282 4.158 305 HD21 LEU 37 HD21 LEU 37 -11.305 -2.864 2.326 306 HD22 LEU 37 HD22 LEU 37 -10.195 -1.533 2.655 307 HD23 LEU 37 HD23 LEU 37 -11.893 -1.398 3.111 308 H GLN 38 H GLN 38 -7.942 -0.902 7.213 309 HA GLN 38 HA GLN 38 -9.012 1.525 8.423 310 HB2 GLN 38 HB2 GLN 38 -8.752 -0.476 9.827 311 HB3 GLN 38 HB3 GLN 38 -7.028 -0.501 9.481 312 HG2 GLN 38 HG2 GLN 38 -6.769 1.653 10.599 313 HG3 GLN 38 HG3 GLN 38 -8.499 1.682 10.942 314 HE21 GLN 38 HE21 GLN 38 -9.341 0.290 12.492 315 HE22 GLN 38 HE22 GLN 38 -8.339 -0.513 13.648 316 H ARG 39 H ARG 39 -5.920 0.158 7.413 317 HA ARG 39 HA ARG 39 -4.229 2.245 7.964 318 HB2 ARG 39 HB2 ARG 39 -4.132 0.461 5.534 319 HB3 ARG 39 HB3 ARG 39 -2.775 1.321 6.251 320 HG2 ARG 39 HG2 ARG 39 -4.347 -0.738 7.744 321 HG3 ARG 39 HG3 ARG 39 -2.962 -1.146 6.736 322 HD2 ARG 39 HD2 ARG 39 -2.142 -0.937 8.945 323 HD3 ARG 39 HD3 ARG 39 -1.636 0.515 8.085 324 HE ARG 39 HE ARG 39 -4.089 1.003 9.370 325 HH11 ARG 39 HH11 ARG 39 -0.721 0.485 10.103 326 HH12 ARG 39 HH12 ARG 39 -0.763 1.417 11.561 327 HH21 ARG 39 HH21 ARG 39 -4.152 2.232 11.289 328 HH22 ARG 39 HH22 ARG 39 -2.713 2.409 12.236 329 H CYS 40 H CYS 40 -5.929 1.659 4.918 330 HA CYS 40 HA CYS 40 -5.002 3.914 3.524 331 HB2 CYS 40 HB2 CYS 40 -6.770 3.496 1.947 332 HB3 CYS 40 HB3 CYS 40 -6.134 1.945 2.484 333 HG CYS 40 HG CYS 40 -9.176 2.665 2.255 334 H ALA 41 H ALA 41 -7.708 3.459 5.718 335 HA ALA 41 HA ALA 41 -9.072 5.794 5.316 336 HB1 ALA 41 HB1 ALA 41 -9.833 3.990 6.789 337 HB2 ALA 41 HB2 ALA 41 -9.935 5.569 7.570 338 HB3 ALA 41 HB3 ALA 41 -8.624 4.464 7.981 339 H GLN 42 H GLN 42 -5.884 5.965 5.821 340 HA GLN 42 HA GLN 42 -6.027 8.158 7.732 341 HB2 GLN 42 HB2 GLN 42 -3.644 6.362 7.210 342 HB3 GLN 42 HB3 GLN 42 -3.630 7.803 8.217 343 HG2 GLN 42 HG2 GLN 42 -5.232 6.757 9.736 344 HG3 GLN 42 HG3 GLN 42 -5.241 5.312 8.727 345 HE21 GLN 42 HE21 GLN 42 -3.424 7.227 10.984 346 HE22 GLN 42 HE22 GLN 42 -2.211 6.045 11.324 347 H LYS 43 H LYS 43 -5.108 6.808 4.705 348 HA LYS 43 HA LYS 43 -3.371 8.570 3.571 349 HB2 LYS 43 HB2 LYS 43 -4.439 6.509 2.548 350 HB3 LYS 43 HB3 LYS 43 -5.807 7.530 2.131 351 HG2 LYS 43 HG2 LYS 43 -4.777 8.232 0.305 352 HG3 LYS 43 HG3 LYS 43 -3.384 8.770 1.249 353 HD2 LYS 43 HD2 LYS 43 -2.503 6.477 1.219 354 HD3 LYS 43 HD3 LYS 43 -3.880 5.973 0.234 355 HE2 LYS 43 HE2 LYS 43 -1.797 6.396 -1.060 356 HE3 LYS 43 HE3 LYS 43 -3.182 7.357 -1.579 357 HZ1 LYS 43 HZ1 LYS 43 -1.163 8.686 -1.454 358 HZ2 LYS 43 HZ2 LYS 43 -0.990 8.312 0.186 359 HZ3 LYS 43 HZ3 LYS 43 -2.309 9.232 -0.336 360 H SER 44 H SER 44 -6.846 8.831 2.904 361 HA SER 44 HA SER 44 -6.544 11.752 2.764 362 HB2 SER 44 HB2 SER 44 -7.320 10.703 0.687 363 HB3 SER 44 HB3 SER 44 -8.660 9.953 1.554 364 HG SER 44 HG SER 44 -8.848 12.158 0.363 365 HA PRO 45 HA PRO 45 -8.456 11.428 6.924 366 HB2 PRO 45 HB2 PRO 45 -8.558 14.338 6.214 367 HB3 PRO 45 HB3 PRO 45 -8.162 13.574 7.758 368 HG2 PRO 45 HG2 PRO 45 -6.238 14.490 6.152 369 HG3 PRO 45 HG3 PRO 45 -6.027 12.995 7.079 370 HD2 PRO 45 HD2 PRO 45 -6.450 13.368 4.174 371 HD3 PRO 45 HD3 PRO 45 -5.667 12.032 5.040 372 H ARG 46 H ARG 46 -10.543 11.960 7.772 373 HA ARG 46 HA ARG 46 -12.809 11.804 7.649 374 HB2 ARG 46 HB2 ARG 46 -12.328 13.842 5.469 375 HB3 ARG 46 HB3 ARG 46 -13.860 13.568 6.287 376 HG2 ARG 46 HG2 ARG 46 -12.806 14.217 8.418 377 HG3 ARG 46 HG3 ARG 46 -11.312 14.563 7.546 378 HD2 ARG 46 HD2 ARG 46 -12.573 16.607 7.934 379 HD3 ARG 46 HD3 ARG 46 -12.486 16.244 6.210 380 HE ARG 46 HE ARG 46 -14.837 15.120 7.060 381 HH11 ARG 46 HH11 ARG 46 -13.444 18.313 7.102 382 HH12 ARG 46 HH12 ARG 46 -14.973 19.121 7.003 383 HH21 ARG 46 HH21 ARG 46 -16.853 16.175 6.929 384 HH22 ARG 46 HH22 ARG 46 -16.911 17.906 6.905 385 H VAL 47 H VAL 47 -11.564 9.743 6.202 386 HA VAL 47 HA VAL 47 -12.466 9.388 3.582 387 HB VAL 47 HB VAL 47 -12.222 6.950 3.990 388 HG11 VAL 47 HG11 VAL 47 -10.290 8.368 3.399 389 HG12 VAL 47 HG12 VAL 47 -9.837 6.981 4.386 390 HG13 VAL 47 HG13 VAL 47 -9.949 8.583 5.116 391 HG21 VAL 47 HG21 VAL 47 -13.033 6.870 6.284 392 HG22 VAL 47 HG22 VAL 47 -11.639 7.804 6.825 393 HG23 VAL 47 HG23 VAL 47 -11.413 6.180 6.175 394 H ALA 48 H ALA 48 -14.037 7.459 3.056 395 HA ALA 48 HA ALA 48 -16.624 8.309 4.100 396 HB1 ALA 48 HB1 ALA 48 -15.965 6.426 1.840 397 HB2 ALA 48 HB2 ALA 48 -16.367 8.135 1.680 398 HB3 ALA 48 HB3 ALA 48 -17.576 6.997 2.275 399 HA PRO 49 HA PRO 49 -16.726 4.899 6.979 400 HB2 PRO 49 HB2 PRO 49 -19.655 5.301 6.879 401 HB3 PRO 49 HB3 PRO 49 -18.559 5.358 8.263 402 HG2 PRO 49 HG2 PRO 49 -19.633 7.590 7.258 403 HG3 PRO 49 HG3 PRO 49 -17.970 7.562 7.874 404 HD2 PRO 49 HD2 PRO 49 -18.945 7.498 5.045 405 HD3 PRO 49 HD3 PRO 49 -17.565 8.371 5.742 406 H GLY 50 H GLY 50 -16.627 2.810 6.465 407 HA2 GLY 50 HA2 GLY 50 -17.019 0.803 5.427 408 HA3 GLY 50 HA3 GLY 50 -18.694 1.329 5.339 409 H SER 51 H SER 51 -15.736 2.522 3.755 410 HA SER 51 HA SER 51 -17.139 2.409 1.194 411 HB2 SER 51 HB2 SER 51 -16.028 4.519 1.806 412 HB3 SER 51 HB3 SER 51 -14.483 3.676 1.917 413 HG SER 51 HG SER 51 -16.058 4.177 -0.375 414 H ALA 52 H ALA 52 -16.883 0.687 -0.065 415 HA ALA 52 HA ALA 52 -14.240 -0.603 -0.157 416 HB1 ALA 52 HB1 ALA 52 -16.882 -2.055 -0.093 417 HB2 ALA 52 HB2 ALA 52 -15.728 -1.954 1.238 418 HB3 ALA 52 HB3 ALA 52 -15.289 -2.796 -0.248 419 HA PRO 53 HA PRO 53 -15.619 0.174 -4.469 420 HB2 PRO 53 HB2 PRO 53 -13.552 1.668 -5.277 421 HB3 PRO 53 HB3 PRO 53 -14.860 2.360 -4.310 422 HG2 PRO 53 HG2 PRO 53 -12.106 1.583 -3.495 423 HG3 PRO 53 HG3 PRO 53 -13.115 2.918 -2.918 424 HD2 PRO 53 HD2 PRO 53 -12.741 0.441 -1.646 425 HD3 PRO 53 HD3 PRO 53 -13.986 1.644 -1.260 426 HA PRO 54 HA PRO 54 -13.413 -2.929 -6.739 427 HB2 PRO 54 HB2 PRO 54 -12.316 -0.763 -8.484 428 HB3 PRO 54 HB3 PRO 54 -13.071 -2.295 -8.937 429 HG2 PRO 54 HG2 PRO 54 -14.434 -0.013 -9.092 430 HG3 PRO 54 HG3 PRO 54 -15.216 -1.509 -8.553 431 HD2 PRO 54 HD2 PRO 54 -14.395 0.871 -6.977 432 HD3 PRO 54 HD3 PRO 54 -15.719 -0.275 -6.691 433 H TRP 55 H TRP 55 -11.921 -3.455 -5.112 434 HA TRP 55 HA TRP 55 -9.295 -2.221 -5.462 435 HB2 TRP 55 HB2 TRP 55 -10.828 -2.672 -3.159 436 HB3 TRP 55 HB3 TRP 55 -9.475 -3.796 -3.065 437 HD1 TRP 55 HD1 TRP 55 -9.261 -0.281 -4.600 438 HE1 TRP 55 HE1 TRP 55 -7.568 1.105 -3.248 439 HE3 TRP 55 HE3 TRP 55 -8.309 -3.611 -0.833 440 HZ2 TRP 55 HZ2 TRP 55 -6.035 0.823 -0.898 441 HZ3 TRP 55 HZ3 TRP 55 -6.733 -2.967 0.918 442 HH2 TRP 55 HH2 TRP 55 -5.616 -0.799 0.892 443 HA PRO 56 HA PRO 56 -8.912 -7.154 -5.754 444 HB2 PRO 56 HB2 PRO 56 -10.016 -6.990 -8.513 445 HB3 PRO 56 HB3 PRO 56 -10.163 -8.284 -7.319 446 HG2 PRO 56 HG2 PRO 56 -12.219 -6.674 -7.842 447 HG3 PRO 56 HG3 PRO 56 -11.886 -7.225 -6.189 448 HD2 PRO 56 HD2 PRO 56 -11.350 -4.569 -7.449 449 HD3 PRO 56 HD3 PRO 56 -11.880 -4.951 -5.798 450 H ALA 57 H ALA 57 -8.364 -4.288 -7.417 451 HA ALA 57 HA ALA 57 -6.631 -4.760 -9.416 452 HB1 ALA 57 HB1 ALA 57 -5.697 -2.600 -9.024 453 HB2 ALA 57 HB2 ALA 57 -6.159 -2.652 -7.322 454 HB3 ALA 57 HB3 ALA 57 -7.402 -2.543 -8.568 455 H LEU 58 H LEU 58 -6.064 -5.451 -6.075 456 HA LEU 58 HA LEU 58 -3.324 -5.455 -5.883 457 HB2 LEU 58 HB2 LEU 58 -5.494 -7.036 -4.628 458 HB3 LEU 58 HB3 LEU 58 -3.870 -7.676 -4.469 459 HG LEU 58 HG LEU 58 -4.514 -6.324 -2.532 460 HD11 LEU 58 HD11 LEU 58 -2.539 -4.898 -2.460 461 HD12 LEU 58 HD12 LEU 58 -2.355 -5.053 -4.208 462 HD13 LEU 58 HD13 LEU 58 -2.164 -6.468 -3.172 463 HD21 LEU 58 HD21 LEU 58 -4.646 -4.024 -4.477 464 HD22 LEU 58 HD22 LEU 58 -4.825 -3.927 -2.724 465 HD23 LEU 58 HD23 LEU 58 -6.031 -4.778 -3.690 466 H ARG 59 H ARG 59 -5.393 -8.020 -7.171 467 HA ARG 59 HA ARG 59 -3.396 -9.951 -7.643 468 HB2 ARG 59 HB2 ARG 59 -5.998 -9.475 -9.106 469 HB3 ARG 59 HB3 ARG 59 -5.010 -10.924 -9.241 470 HG2 ARG 59 HG2 ARG 59 -5.360 -11.381 -6.863 471 HG3 ARG 59 HG3 ARG 59 -6.366 -9.935 -6.740 472 HD2 ARG 59 HD2 ARG 59 -7.925 -10.884 -8.370 473 HD3 ARG 59 HD3 ARG 59 -6.919 -12.327 -8.495 474 HE ARG 59 HE ARG 59 -7.618 -11.931 -5.806 475 HH11 ARG 59 HH11 ARG 59 -9.069 -12.820 -8.847 476 HH12 ARG 59 HH12 ARG 59 -10.311 -13.782 -8.120 477 HH21 ARG 59 HH21 ARG 59 -9.251 -13.196 -4.840 478 HH22 ARG 59 HH22 ARG 59 -10.416 -13.995 -5.842 479 H SER 60 H SER 60 -4.462 -7.141 -9.444 480 HA SER 60 HA SER 60 -3.162 -7.744 -11.862 481 HB2 SER 60 HB2 SER 60 -4.902 -6.010 -11.672 482 HB3 SER 60 HB3 SER 60 -3.810 -5.023 -10.702 483 HG SER 60 HG SER 60 -3.671 -5.668 -13.437 484 H LEU 61 H LEU 61 -2.081 -5.974 -8.988 485 HA LEU 61 HA LEU 61 0.448 -5.265 -10.161 486 HB2 LEU 61 HB2 LEU 61 -0.665 -5.073 -7.375 487 HB3 LEU 61 HB3 LEU 61 1.011 -4.692 -7.732 488 HG LEU 61 HG LEU 61 -0.046 -3.101 -9.532 489 HD11 LEU 61 HD11 LEU 61 -2.343 -3.861 -9.196 490 HD12 LEU 61 HD12 LEU 61 -2.166 -2.149 -8.817 491 HD13 LEU 61 HD13 LEU 61 -2.273 -3.333 -7.515 492 HD21 LEU 61 HD21 LEU 61 -0.048 -2.492 -6.583 493 HD22 LEU 61 HD22 LEU 61 -0.013 -1.303 -7.884 494 HD23 LEU 61 HD23 LEU 61 1.343 -2.409 -7.663 495 H LEU 62 H LEU 62 -0.807 -7.880 -8.223 496 HA LEU 62 HA LEU 62 1.624 -8.933 -7.202 497 HB2 LEU 62 HB2 LEU 62 -0.953 -10.303 -7.977 498 HB3 LEU 62 HB3 LEU 62 0.361 -11.083 -7.124 499 HG LEU 62 HG LEU 62 -1.090 -8.688 -6.009 500 HD11 LEU 62 HD11 LEU 62 -2.552 -10.736 -6.501 501 HD12 LEU 62 HD12 LEU 62 -2.575 -10.081 -4.867 502 HD13 LEU 62 HD13 LEU 62 -1.634 -11.528 -5.223 503 HD21 LEU 62 HD21 LEU 62 -0.164 -9.423 -3.900 504 HD22 LEU 62 HD22 LEU 62 1.138 -9.234 -5.074 505 HD23 LEU 62 HD23 LEU 62 0.544 -10.841 -4.673 506 H HIS 63 H HIS 63 -0.119 -9.122 -10.224 507 HA HIS 63 HA HIS 63 1.427 -11.054 -11.490 508 HB2 HIS 63 HB2 HIS 63 -0.739 -10.203 -12.338 509 HB3 HIS 63 HB3 HIS 63 0.032 -8.674 -12.741 510 HD1 HIS 63 HD1 HIS 63 -0.413 -12.154 -13.945 511 HD2 HIS 63 HD2 HIS 63 1.771 -8.776 -14.987 512 HE1 HIS 63 HE1 HIS 63 0.450 -12.601 -16.263 513 HE2 HIS 63 HE2 HIS 63 1.693 -10.506 -16.907 514 H ARG 64 H ARG 64 1.795 -7.525 -11.358 515 HA ARG 64 HA ARG 64 4.148 -7.480 -12.981 516 HB2 ARG 64 HB2 ARG 64 3.105 -5.415 -11.029 517 HB3 ARG 64 HB3 ARG 64 4.322 -5.145 -12.267 518 HG2 ARG 64 HG2 ARG 64 1.482 -5.960 -12.831 519 HG3 ARG 64 HG3 ARG 64 2.073 -4.298 -12.862 520 HD2 ARG 64 HD2 ARG 64 3.064 -6.564 -14.589 521 HD3 ARG 64 HD3 ARG 64 1.991 -5.265 -15.109 522 HE ARG 64 HE ARG 64 4.293 -4.093 -14.067 523 HH11 ARG 64 HH11 ARG 64 3.374 -6.123 -16.748 524 HH12 ARG 64 HH12 ARG 64 4.635 -5.543 -17.785 525 HH21 ARG 64 HH21 ARG 64 5.956 -3.326 -15.425 526 HH22 ARG 64 HH22 ARG 64 6.103 -3.954 -17.033 527 H ASN 65 H ASN 65 3.471 -8.488 -9.885 528 HA ASN 65 HA ASN 65 4.706 -9.268 -8.194 529 HB2 ASN 65 HB2 ASN 65 6.178 -10.037 -10.161 530 HB3 ASN 65 HB3 ASN 65 7.235 -8.698 -9.708 531 HD21 ASN 65 HD21 ASN 65 5.354 -10.333 -7.317 532 HD22 ASN 65 HD22 ASN 65 6.655 -11.178 -6.570 533 H LEU 66 H LEU 66 4.254 -6.282 -8.702 534 HA LEU 66 HA LEU 66 6.434 -5.031 -7.277 535 HB2 LEU 66 HB2 LEU 66 3.696 -3.836 -7.485 536 HB3 LEU 66 HB3 LEU 66 5.241 -3.022 -7.411 537 HG LEU 66 HG LEU 66 3.977 -4.376 -9.780 538 HD11 LEU 66 HD11 LEU 66 5.076 -1.609 -9.325 539 HD12 LEU 66 HD12 LEU 66 3.369 -2.053 -9.335 540 HD13 LEU 66 HD13 LEU 66 4.326 -2.196 -10.810 541 HD21 LEU 66 HD21 LEU 66 6.813 -3.380 -9.578 542 HD22 LEU 66 HD22 LEU 66 6.023 -4.008 -11.022 543 HD23 LEU 66 HD23 LEU 66 6.338 -5.075 -9.655 544 H VAL 67 H VAL 67 3.430 -6.541 -6.617 545 HA VAL 67 HA VAL 67 3.867 -6.224 -3.731 546 HB VAL 67 HB VAL 67 1.788 -5.227 -4.343 547 HG11 VAL 67 HG11 VAL 67 1.484 -6.095 -6.532 548 HG12 VAL 67 HG12 VAL 67 0.049 -6.488 -5.584 549 HG13 VAL 67 HG13 VAL 67 1.259 -7.725 -5.910 550 HG21 VAL 67 HG21 VAL 67 1.662 -6.561 -2.329 551 HG22 VAL 67 HG22 VAL 67 1.282 -7.997 -3.279 552 HG23 VAL 67 HG23 VAL 67 0.135 -6.659 -3.207 553 H LEU 68 H LEU 68 3.249 -8.120 -2.384 554 HA LEU 68 HA LEU 68 3.689 -10.633 -3.839 555 HB2 LEU 68 HB2 LEU 68 5.664 -9.622 -2.370 556 HB3 LEU 68 HB3 LEU 68 4.753 -10.364 -1.071 557 HG LEU 68 HG LEU 68 5.771 -11.852 -3.492 558 HD11 LEU 68 HD11 LEU 68 6.860 -11.738 -0.684 559 HD12 LEU 68 HD12 LEU 68 7.618 -11.056 -2.122 560 HD13 LEU 68 HD13 LEU 68 7.430 -12.803 -1.969 561 HD21 LEU 68 HD21 LEU 68 4.556 -12.825 -0.909 562 HD22 LEU 68 HD22 LEU 68 5.216 -13.845 -2.187 563 HD23 LEU 68 HD23 LEU 68 3.787 -12.859 -2.496 564 H ARG 69 H ARG 69 1.999 -11.953 -3.543 565 HA ARG 69 HA ARG 69 0.145 -11.420 -1.341 566 HB2 ARG 69 HB2 ARG 69 -1.291 -13.133 -2.517 567 HB3 ARG 69 HB3 ARG 69 -1.024 -11.627 -3.386 568 HG2 ARG 69 HG2 ARG 69 0.398 -12.624 -4.926 569 HG3 ARG 69 HG3 ARG 69 0.703 -14.018 -3.886 570 HD2 ARG 69 HD2 ARG 69 -1.590 -14.773 -4.210 571 HD3 ARG 69 HD3 ARG 69 -1.926 -13.362 -5.214 572 HE ARG 69 HE ARG 69 0.260 -14.759 -6.292 573 HH11 ARG 69 HH11 ARG 69 -3.179 -15.093 -5.843 574 HH12 ARG 69 HH12 ARG 69 -3.394 -16.098 -7.237 575 HH21 ARG 69 HH21 ARG 69 -0.012 -16.082 -8.129 576 HH22 ARG 69 HH22 ARG 69 -1.593 -16.662 -8.536 577 H THR 70 H THR 70 -0.447 -12.995 0.139 578 HA THR 70 HA THR 70 1.256 -15.381 0.180 579 HB THR 70 HB THR 70 0.077 -14.122 2.643 580 HG1 THR 70 HG1 THR 70 2.461 -13.438 1.240 581 HG21 THR 70 HG21 THR 70 2.201 -16.112 2.009 582 HG22 THR 70 HG22 THR 70 1.011 -16.112 3.313 583 HG23 THR 70 HG23 THR 70 2.428 -15.069 3.411 584 H HIS 71 H HIS 71 0.227 -16.894 2.052 585 HA HIS 71 HA HIS 71 -1.545 -18.566 1.002 586 HB2 HIS 71 HB2 HIS 71 -0.633 -17.861 3.644 587 HB3 HIS 71 HB3 HIS 71 -2.260 -18.510 3.682 588 HD1 HIS 71 HD1 HIS 71 -2.397 -20.923 2.211 589 HD2 HIS 71 HD2 HIS 71 1.256 -19.727 3.789 590 HE1 HIS 71 HE1 HIS 71 -0.984 -23.003 2.277 591 HE2 HIS 71 HE2 HIS 71 1.256 -22.238 3.146 592 H GLN 72 H GLN 72 -2.911 -16.566 3.646 593 HA GLN 72 HA GLN 72 -5.006 -15.401 2.019 594 HB2 GLN 72 HB2 GLN 72 -5.708 -17.710 2.108 595 HB3 GLN 72 HB3 GLN 72 -5.412 -17.781 3.838 596 HG2 GLN 72 HG2 GLN 72 -7.234 -16.198 4.214 597 HG3 GLN 72 HG3 GLN 72 -7.526 -16.127 2.477 598 HE21 GLN 72 HE21 GLN 72 -8.476 -17.871 1.443 599 HE22 GLN 72 HE22 GLN 72 -9.278 -19.134 2.308 600 HA PRO 73 HA PRO 73 -7.095 -14.368 2.470 601 HB2 PRO 73 HB2 PRO 73 -6.895 -11.463 2.877 602 HB3 PRO 73 HB3 PRO 73 -8.327 -12.495 2.875 603 HG2 PRO 73 HG2 PRO 73 -7.382 -11.399 5.137 604 HG3 PRO 73 HG3 PRO 73 -8.124 -13.011 5.116 605 HD2 PRO 73 HD2 PRO 73 -5.223 -12.258 5.185 606 HD3 PRO 73 HD3 PRO 73 -6.078 -13.532 6.081 607 H ALA 74 H ALA 74 -3.986 -13.521 2.895 608 HA ALA 74 HA ALA 74 -2.507 -14.018 1.027 609 HB1 ALA 74 HB1 ALA 74 -4.187 -12.000 -0.458 610 HB2 ALA 74 HB2 ALA 74 -4.278 -13.744 -0.700 611 HB3 ALA 74 HB3 ALA 74 -2.785 -12.880 -1.067 612 H ARG 75 H ARG 75 -1.206 -13.184 2.627 613 HA ARG 75 HA ARG 75 -1.219 -10.454 3.455 614 HB2 ARG 75 HB2 ARG 75 1.258 -12.146 3.487 615 HB3 ARG 75 HB3 ARG 75 0.714 -10.961 4.661 616 HG2 ARG 75 HG2 ARG 75 -0.800 -12.427 5.637 617 HG3 ARG 75 HG3 ARG 75 -0.829 -13.489 4.227 618 HD2 ARG 75 HD2 ARG 75 0.624 -14.775 5.331 619 HD3 ARG 75 HD3 ARG 75 1.818 -13.520 5.000 620 HE ARG 75 HE ARG 75 0.477 -12.765 7.308 621 HH11 ARG 75 HH11 ARG 75 2.527 -15.370 6.235 622 HH12 ARG 75 HH12 ARG 75 3.180 -15.677 7.809 623 HH21 ARG 75 HH21 ARG 75 1.330 -13.165 9.386 624 HH22 ARG 75 HH22 ARG 75 2.500 -14.424 9.599 625 H TYR 76 H TYR 76 -0.544 -8.707 2.347 626 HA TYR 76 HA TYR 76 1.011 -9.110 -0.043 627 HB2 TYR 76 HB2 TYR 76 -0.415 -6.687 1.056 628 HB3 TYR 76 HB3 TYR 76 0.453 -6.711 -0.477 629 HD1 TYR 76 HD1 TYR 76 -0.268 -8.796 -2.033 630 HD2 TYR 76 HD2 TYR 76 -2.701 -6.981 0.947 631 HE1 TYR 76 HE1 TYR 76 -2.277 -9.646 -3.170 632 HE2 TYR 76 HE2 TYR 76 -4.718 -7.826 -0.180 633 HH TYR 76 HH TYR 76 -5.401 -8.562 -2.431 634 H SER 77 H SER 77 2.911 -7.937 -0.558 635 HA SER 77 HA SER 77 4.305 -6.647 1.582 636 HB2 SER 77 HB2 SER 77 5.443 -9.202 0.428 637 HB3 SER 77 HB3 SER 77 6.307 -8.095 1.495 638 HG SER 77 HG SER 77 4.977 -10.082 2.306 639 H LEU 78 H LEU 78 5.431 -5.019 0.769 640 HA LEU 78 HA LEU 78 5.562 -4.479 -1.963 641 HB2 LEU 78 HB2 LEU 78 7.081 -3.363 0.378 642 HB3 LEU 78 HB3 LEU 78 7.339 -2.778 -1.248 643 HG LEU 78 HG LEU 78 4.901 -2.491 0.477 644 HD11 LEU 78 HD11 LEU 78 5.208 -0.141 -0.057 645 HD12 LEU 78 HD12 LEU 78 6.566 -0.542 -1.108 646 HD13 LEU 78 HD13 LEU 78 6.684 -0.820 0.629 647 HD21 LEU 78 HD21 LEU 78 3.745 -1.524 -1.460 648 HD22 LEU 78 HD22 LEU 78 4.073 -3.243 -1.679 649 HD23 LEU 78 HD23 LEU 78 5.070 -2.042 -2.501 650 H THR 79 H THR 79 6.811 -5.337 -3.507 651 HA THR 79 HA THR 79 9.267 -6.690 -2.800 652 HB THR 79 HB THR 79 8.917 -6.608 -5.610 653 HG1 THR 79 HG1 THR 79 6.837 -6.226 -5.721 654 HG21 THR 79 HG21 THR 79 8.439 -8.993 -5.354 655 HG22 THR 79 HG22 THR 79 8.157 -8.759 -3.629 656 HG23 THR 79 HG23 THR 79 9.770 -8.512 -4.299 657 HA PRO 80 HA PRO 80 12.467 -3.885 -4.156 658 HB2 PRO 80 HB2 PRO 80 12.369 -5.020 -6.930 659 HB3 PRO 80 HB3 PRO 80 13.770 -4.594 -5.946 660 HG2 PRO 80 HG2 PRO 80 13.027 -7.126 -6.151 661 HG3 PRO 80 HG3 PRO 80 13.554 -6.476 -4.587 662 HD2 PRO 80 HD2 PRO 80 10.821 -7.163 -5.528 663 HD3 PRO 80 HD3 PRO 80 11.496 -7.210 -3.888 664 H GLU 81 H GLU 81 10.118 -4.318 -6.812 665 HA GLU 81 HA GLU 81 10.459 -1.645 -7.765 666 HB2 GLU 81 HB2 GLU 81 8.294 -3.674 -8.333 667 HB3 GLU 81 HB3 GLU 81 8.514 -2.161 -9.200 668 HG2 GLU 81 HG2 GLU 81 10.721 -2.912 -9.943 669 HG3 GLU 81 HG3 GLU 81 10.479 -4.436 -9.092 670 H GLY 82 H GLY 82 7.969 -3.270 -5.791 671 HA2 GLY 82 HA2 GLY 82 6.205 -1.009 -5.690 672 HA3 GLY 82 HA3 GLY 82 6.172 -2.397 -4.620 673 H LEU 83 H LEU 83 9.035 -2.033 -3.970 674 HA LEU 83 HA LEU 83 8.705 -0.370 -1.691 675 HB2 LEU 83 HB2 LEU 83 10.441 -2.372 -2.426 676 HB3 LEU 83 HB3 LEU 83 11.459 -0.951 -2.513 677 HG LEU 83 HG LEU 83 11.716 -1.944 -0.345 678 HD11 LEU 83 HD11 LEU 83 9.996 0.523 -0.163 679 HD12 LEU 83 HD12 LEU 83 11.744 0.483 -0.395 680 HD13 LEU 83 HD13 LEU 83 11.040 -0.101 1.114 681 HD21 LEU 83 HD21 LEU 83 9.848 -2.244 1.190 682 HD22 LEU 83 HD22 LEU 83 9.623 -3.197 -0.277 683 HD23 LEU 83 HD23 LEU 83 8.727 -1.693 -0.055 684 H GLU 84 H GLU 84 10.795 -0.116 -4.549 685 HA GLU 84 HA GLU 84 11.713 2.441 -4.137 686 HB2 GLU 84 HB2 GLU 84 11.116 1.102 -6.783 687 HB3 GLU 84 HB3 GLU 84 12.086 2.556 -6.596 688 HG2 GLU 84 HG2 GLU 84 13.702 1.315 -5.264 689 HG3 GLU 84 HG3 GLU 84 12.722 -0.137 -5.430 690 H LEU 85 H LEU 85 8.805 1.443 -5.888 691 HA LEU 85 HA LEU 85 8.090 4.028 -6.832 692 HB2 LEU 85 HB2 LEU 85 7.072 1.340 -6.941 693 HB3 LEU 85 HB3 LEU 85 5.790 2.440 -6.483 694 HG LEU 85 HG LEU 85 7.506 2.700 -8.953 695 HD11 LEU 85 HD11 LEU 85 5.478 2.080 -10.168 696 HD12 LEU 85 HD12 LEU 85 4.639 1.823 -8.638 697 HD13 LEU 85 HD13 LEU 85 5.999 0.792 -9.082 698 HD21 LEU 85 HD21 LEU 85 6.747 4.861 -8.100 699 HD22 LEU 85 HD22 LEU 85 5.086 4.268 -8.067 700 HD23 LEU 85 HD23 LEU 85 5.929 4.445 -9.606 701 H ALA 86 H ALA 86 7.165 2.032 -4.039 702 HA ALA 86 HA ALA 86 5.210 3.718 -2.960 703 HB1 ALA 86 HB1 ALA 86 7.136 1.938 -1.467 704 HB2 ALA 86 HB2 ALA 86 5.588 1.446 -2.152 705 HB3 ALA 86 HB3 ALA 86 5.636 2.608 -0.827 706 H GLN 87 H GLN 87 8.728 3.769 -2.565 707 HA GLN 87 HA GLN 87 8.862 5.758 -0.589 708 HB2 GLN 87 HB2 GLN 87 10.778 5.074 -2.825 709 HB3 GLN 87 HB3 GLN 87 11.145 6.237 -1.561 710 HG2 GLN 87 HG2 GLN 87 10.915 4.489 0.123 711 HG3 GLN 87 HG3 GLN 87 10.529 3.321 -1.139 712 HE21 GLN 87 HE21 GLN 87 12.153 2.613 -2.524 713 HE22 GLN 87 HE22 GLN 87 13.828 2.836 -2.164 714 H LYS 88 H LYS 88 8.692 5.931 -4.089 715 HA LYS 88 HA LYS 88 8.760 8.684 -4.337 716 HB2 LYS 88 HB2 LYS 88 7.201 6.881 -6.174 717 HB3 LYS 88 HB3 LYS 88 8.076 8.350 -6.570 718 HG2 LYS 88 HG2 LYS 88 10.195 7.209 -6.088 719 HG3 LYS 88 HG3 LYS 88 9.301 5.741 -5.713 720 HD2 LYS 88 HD2 LYS 88 8.384 5.789 -8.035 721 HD3 LYS 88 HD3 LYS 88 9.477 7.133 -8.377 722 HE2 LYS 88 HE2 LYS 88 11.393 5.709 -7.801 723 HE3 LYS 88 HE3 LYS 88 10.295 4.365 -7.481 724 HZ1 LYS 88 HZ1 LYS 88 9.595 4.441 -9.796 725 HZ2 LYS 88 HZ2 LYS 88 11.266 4.206 -9.683 726 HZ3 LYS 88 HZ3 LYS 88 10.653 5.726 -10.099 727 H LEU 89 H LEU 89 5.937 6.532 -4.166 728 HA LEU 89 HA LEU 89 3.951 8.514 -4.488 729 HB2 LEU 89 HB2 LEU 89 3.997 5.770 -3.256 730 HB3 LEU 89 HB3 LEU 89 2.551 6.757 -3.235 731 HG LEU 89 HG LEU 89 2.474 6.762 -5.663 732 HD11 LEU 89 HD11 LEU 89 4.009 5.527 -7.027 733 HD12 LEU 89 HD12 LEU 89 4.893 4.984 -5.604 734 HD13 LEU 89 HD13 LEU 89 4.912 6.688 -6.055 735 HD21 LEU 89 HD21 LEU 89 1.432 4.906 -4.394 736 HD22 LEU 89 HD22 LEU 89 2.898 3.961 -4.643 737 HD23 LEU 89 HD23 LEU 89 1.920 4.450 -6.026 738 H ALA 90 H ALA 90 5.757 7.270 -1.808 739 HA ALA 90 HA ALA 90 4.413 8.543 0.238 740 HB1 ALA 90 HB1 ALA 90 6.340 8.060 1.614 741 HB2 ALA 90 HB2 ALA 90 7.340 7.837 0.178 742 HB3 ALA 90 HB3 ALA 90 6.027 6.711 0.523 743 H GLU 91 H GLU 91 6.720 9.845 -1.964 744 HA GLU 91 HA GLU 91 7.746 12.002 -0.444 745 HB2 GLU 91 HB2 GLU 91 7.238 12.100 -3.410 746 HB3 GLU 91 HB3 GLU 91 8.480 12.944 -2.494 747 HG2 GLU 91 HG2 GLU 91 9.601 10.849 -2.038 748 HG3 GLU 91 HG3 GLU 91 8.322 9.978 -2.883 749 H SER 92 H SER 92 5.027 11.775 -2.685 750 HA SER 92 HA SER 92 4.025 14.274 -2.496 751 HB2 SER 92 HB2 SER 92 3.184 12.530 -4.010 752 HB3 SER 92 HB3 SER 92 2.412 11.722 -2.646 753 HG SER 92 HG SER 92 1.576 13.882 -4.086 754 H GLU 93 H GLU 93 3.674 11.731 -0.091 755 HA GLU 93 HA GLU 93 1.658 13.250 1.395 756 HB2 GLU 93 HB2 GLU 93 2.942 10.638 2.181 757 HB3 GLU 93 HB3 GLU 93 1.451 11.333 2.791 758 HG2 GLU 93 HG2 GLU 93 1.839 10.409 -0.039 759 HG3 GLU 93 HG3 GLU 93 1.153 9.418 1.249 760 H GLY 94 H GLY 94 4.925 13.227 0.999 761 HA2 GLY 94 HA2 GLY 94 6.463 14.568 2.179 762 HA3 GLY 94 HA3 GLY 94 5.302 14.699 3.500 763 H LEU 95 H LEU 95 5.066 11.626 2.759 764 HA LEU 95 HA LEU 95 5.945 9.631 3.385 765 HB2 LEU 95 HB2 LEU 95 8.203 11.040 2.730 766 HB3 LEU 95 HB3 LEU 95 8.515 10.599 4.399 767 HG LEU 95 HG LEU 95 8.171 8.822 2.013 768 HD11 LEU 95 HD11 LEU 95 10.413 9.540 2.600 769 HD12 LEU 95 HD12 LEU 95 10.217 7.810 2.882 770 HD13 LEU 95 HD13 LEU 95 10.194 8.934 4.241 771 HD21 LEU 95 HD21 LEU 95 7.842 7.994 4.894 772 HD22 LEU 95 HD22 LEU 95 8.066 6.884 3.542 773 HD23 LEU 95 HD23 LEU 95 6.624 7.900 3.619 774 H SER 96 H SER 96 4.740 11.769 5.131 775 HA SER 96 HA SER 96 5.788 11.400 7.726 776 HB2 SER 96 HB2 SER 96 3.038 12.314 6.847 777 HB3 SER 96 HB3 SER 96 3.667 12.445 8.489 778 HG SER 96 HG SER 96 4.116 14.373 7.581 779 H LEU 97 H LEU 97 3.487 9.580 5.839 780 HA LEU 97 HA LEU 97 2.114 8.102 7.408 781 HB2 LEU 97 HB2 LEU 97 3.953 6.670 5.495 782 HB3 LEU 97 HB3 LEU 97 2.365 6.155 6.026 783 HG LEU 97 HG LEU 97 1.589 8.398 4.892 784 HD11 LEU 97 HD11 LEU 97 3.795 9.254 4.383 785 HD12 LEU 97 HD12 LEU 97 2.927 8.903 2.889 786 HD13 LEU 97 HD13 LEU 97 4.175 7.799 3.463 787 HD21 LEU 97 HD21 LEU 97 1.210 7.163 2.816 788 HD22 LEU 97 HD22 LEU 97 0.878 6.165 4.232 789 HD23 LEU 97 HD23 LEU 97 2.377 5.944 3.327 790 H LEU 98 H LEU 98 5.178 6.451 6.734 791 HA LEU 98 HA LEU 98 5.292 4.982 8.986 792 HB2 LEU 98 HB2 LEU 98 6.844 4.935 6.967 793 HB3 LEU 98 HB3 LEU 98 7.782 6.172 7.775 794 HG LEU 98 HG LEU 98 8.684 3.852 8.012 795 HD11 LEU 98 HD11 LEU 98 9.243 4.050 10.346 796 HD12 LEU 98 HD12 LEU 98 7.884 5.140 10.615 797 HD13 LEU 98 HD13 LEU 98 9.237 5.650 9.605 798 HD21 LEU 98 HD21 LEU 98 6.246 3.447 9.738 799 HD22 LEU 98 HD22 LEU 98 7.595 2.324 9.566 800 HD23 LEU 98 HD23 LEU 98 6.555 2.670 8.185 801 H ASN 99 H ASN 99 7.060 8.069 8.628 802 HA ASN 99 HA ASN 99 7.306 8.204 11.544 803 HB2 ASN 99 HB2 ASN 99 8.635 9.878 9.401 804 HB3 ASN 99 HB3 ASN 99 8.945 9.996 11.131 805 HD21 ASN 99 HD21 ASN 99 9.401 8.112 8.256 806 HD22 ASN 99 HD22 ASN 99 10.608 7.053 8.896 807 H VAL 100 H VAL 100 5.388 8.962 12.301 808 HA VAL 100 HA VAL 100 4.180 11.310 11.051 809 HB VAL 100 HB VAL 100 2.317 10.936 12.650 810 HG11 VAL 100 HG11 VAL 100 2.238 9.948 10.427 811 HG12 VAL 100 HG12 VAL 100 1.480 8.880 11.609 812 HG13 VAL 100 HG13 VAL 100 3.103 8.526 11.015 813 HG21 VAL 100 HG21 VAL 100 2.257 8.860 13.951 814 HG22 VAL 100 HG22 VAL 100 3.583 9.906 14.460 815 HG23 VAL 100 HG23 VAL 100 3.907 8.499 13.446 816 H GLY 101 H GLY 101 3.391 13.071 12.480 817 HA2 GLY 101 HA2 GLY 101 3.951 13.776 14.948 818 HA3 GLY 101 HA3 GLY 101 5.569 13.866 14.268 819 H ILE 102 H ILE 102 2.694 15.526 14.816 820 HA ILE 102 HA ILE 102 3.661 17.766 13.189 821 HB ILE 102 HB ILE 102 1.197 18.328 12.758 822 HG12 ILE 102 HG12 ILE 102 -0.205 16.212 12.509 823 HG13 ILE 102 HG13 ILE 102 0.988 15.416 13.528 824 HG21 ILE 102 HG21 ILE 102 1.163 16.959 10.723 825 HG22 ILE 102 HG22 ILE 102 2.477 15.977 11.373 826 HG23 ILE 102 HG23 ILE 102 2.747 17.682 11.010 827 HD11 ILE 102 HD11 ILE 102 0.486 16.927 15.347 828 HD12 ILE 102 HD12 ILE 102 -0.989 16.145 14.774 829 HD13 ILE 102 HD13 ILE 102 -0.644 17.815 14.324 830 H GLY 103 H GLY 103 2.752 16.632 16.163 831 HA2 GLY 103 HA2 GLY 103 1.830 19.251 17.102 832 HA3 GLY 103 HA3 GLY 103 1.718 17.737 17.987 Start of MODEL 6 1 H GLY 1 H GLY 1 10.500 5.522 -11.724 2 HA2 GLY 1 HA2 GLY 1 10.954 6.707 -13.770 3 HA3 GLY 1 HA3 GLY 1 11.387 5.010 -13.903 4 H SER 2 H SER 2 8.893 3.866 -14.297 5 HA SER 2 HA SER 2 8.060 5.068 -16.855 6 HB2 SER 2 HB2 SER 2 9.328 3.006 -17.237 7 HB3 SER 2 HB3 SER 2 8.246 2.127 -16.157 8 HG SER 2 HG SER 2 7.954 2.423 -18.713 9 H TYR 3 H TYR 3 6.926 2.615 -14.524 10 HA TYR 3 HA TYR 3 4.171 3.261 -15.059 11 HB2 TYR 3 HB2 TYR 3 4.876 0.950 -14.554 12 HB3 TYR 3 HB3 TYR 3 5.377 1.459 -12.946 13 HD1 TYR 3 HD1 TYR 3 2.354 1.518 -15.145 14 HD2 TYR 3 HD2 TYR 3 3.900 1.156 -11.197 15 HE1 TYR 3 HE1 TYR 3 0.086 1.070 -14.304 16 HE2 TYR 3 HE2 TYR 3 1.636 0.707 -10.346 17 HH TYR 3 HH TYR 3 -0.980 -0.023 -12.375 18 H TRP 4 H TRP 4 3.241 5.014 -14.226 19 HA TRP 4 HA TRP 4 3.621 5.580 -11.372 20 HB2 TRP 4 HB2 TRP 4 5.148 7.040 -12.653 21 HB3 TRP 4 HB3 TRP 4 3.776 7.658 -13.566 22 HD1 TRP 4 HD1 TRP 4 2.145 9.376 -12.325 23 HE1 TRP 4 HE1 TRP 4 2.446 10.813 -10.211 24 HE3 TRP 4 HE3 TRP 4 6.239 7.048 -10.335 25 HZ2 TRP 4 HZ2 TRP 4 4.188 10.944 -7.993 26 HZ3 TRP 4 HZ3 TRP 4 7.161 7.892 -8.215 27 HH2 TRP 4 HH2 TRP 4 6.156 9.800 -7.070 28 HA PRO 5 HA PRO 5 -0.883 5.540 -12.227 29 HB2 PRO 5 HB2 PRO 5 -0.968 5.266 -9.290 30 HB3 PRO 5 HB3 PRO 5 -1.703 4.250 -10.533 31 HG2 PRO 5 HG2 PRO 5 0.405 3.411 -9.110 32 HG3 PRO 5 HG3 PRO 5 0.212 2.988 -10.821 33 HD2 PRO 5 HD2 PRO 5 1.966 5.067 -9.568 34 HD3 PRO 5 HD3 PRO 5 2.320 3.948 -10.904 35 H ALA 6 H ALA 6 -2.690 6.771 -11.032 36 HA ALA 6 HA ALA 6 -1.798 9.519 -10.752 37 HB1 ALA 6 HB1 ALA 6 -4.589 8.371 -10.696 38 HB2 ALA 6 HB2 ALA 6 -3.770 9.024 -12.116 39 HB3 ALA 6 HB3 ALA 6 -4.171 10.083 -10.763 40 H ARG 7 H ARG 7 -3.328 10.733 -8.999 41 HA ARG 7 HA ARG 7 -2.313 9.786 -6.470 42 HB2 ARG 7 HB2 ARG 7 -2.363 12.204 -7.124 43 HB3 ARG 7 HB3 ARG 7 -4.117 12.150 -7.008 44 HG2 ARG 7 HG2 ARG 7 -3.914 11.533 -4.633 45 HG3 ARG 7 HG3 ARG 7 -2.161 11.678 -4.769 46 HD2 ARG 7 HD2 ARG 7 -4.158 13.885 -5.258 47 HD3 ARG 7 HD3 ARG 7 -3.168 13.696 -3.812 48 HE ARG 7 HE ARG 7 -1.463 13.766 -6.019 49 HH11 ARG 7 HH11 ARG 7 -3.677 15.867 -4.339 50 HH12 ARG 7 HH12 ARG 7 -2.822 17.315 -4.757 51 HH21 ARG 7 HH21 ARG 7 -0.331 15.667 -6.574 52 HH22 ARG 7 HH22 ARG 7 -0.921 17.201 -6.027 53 H HIS 8 H HIS 8 -3.489 9.083 -4.715 54 HA HIS 8 HA HIS 8 -5.146 8.024 -3.575 55 HB2 HIS 8 HB2 HIS 8 -6.973 9.652 -5.356 56 HB3 HIS 8 HB3 HIS 8 -7.465 8.789 -3.903 57 HD1 HIS 8 HD1 HIS 8 -5.883 9.636 -1.703 58 HD2 HIS 8 HD2 HIS 8 -6.561 12.261 -4.850 59 HE1 HIS 8 HE1 HIS 8 -5.455 11.931 -0.768 60 HE2 HIS 8 HE2 HIS 8 -5.957 13.508 -2.667 61 H SER 9 H SER 9 -4.303 7.262 -6.532 62 HA SER 9 HA SER 9 -6.480 5.776 -7.601 63 HB2 SER 9 HB2 SER 9 -3.500 5.484 -8.052 64 HB3 SER 9 HB3 SER 9 -4.751 4.690 -9.010 65 HG SER 9 HG SER 9 -5.416 6.661 -9.763 66 H GLY 10 H GLY 10 -6.494 3.386 -7.802 67 HA2 GLY 10 HA2 GLY 10 -6.477 2.118 -5.349 68 HA3 GLY 10 HA3 GLY 10 -6.480 1.279 -6.893 69 H ALA 11 H ALA 11 -4.165 1.437 -7.976 70 HA ALA 11 HA ALA 11 -2.453 -0.144 -6.444 71 HB1 ALA 11 HB1 ALA 11 -1.799 1.497 -8.887 72 HB2 ALA 11 HB2 ALA 11 -2.436 -0.150 -8.876 73 HB3 ALA 11 HB3 ALA 11 -0.823 0.178 -8.239 74 H ARG 12 H ARG 12 -2.721 3.299 -6.676 75 HA ARG 12 HA ARG 12 -0.108 4.006 -5.775 76 HB2 ARG 12 HB2 ARG 12 -2.040 5.399 -6.936 77 HB3 ARG 12 HB3 ARG 12 -2.497 5.726 -5.279 78 HG2 ARG 12 HG2 ARG 12 0.297 6.185 -6.220 79 HG3 ARG 12 HG3 ARG 12 -0.965 7.387 -6.484 80 HD2 ARG 12 HD2 ARG 12 -1.401 7.444 -4.070 81 HD3 ARG 12 HD3 ARG 12 -0.119 6.260 -3.816 82 HE ARG 12 HE ARG 12 1.241 8.162 -5.047 83 HH11 ARG 12 HH11 ARG 12 -1.148 8.439 -2.528 84 HH12 ARG 12 HH12 ARG 12 -0.453 9.872 -1.848 85 HH21 ARG 12 HH21 ARG 12 2.161 10.050 -4.162 86 HH22 ARG 12 HH22 ARG 12 1.427 10.789 -2.778 87 H VAL 13 H VAL 13 -3.278 4.083 -4.228 88 HA VAL 13 HA VAL 13 -2.410 4.657 -1.670 89 HB VAL 13 HB VAL 13 -4.920 3.239 -2.554 90 HG11 VAL 13 HG11 VAL 13 -4.574 2.789 -0.221 91 HG12 VAL 13 HG12 VAL 13 -5.851 3.993 -0.389 92 HG13 VAL 13 HG13 VAL 13 -4.231 4.488 0.097 93 HG21 VAL 13 HG21 VAL 13 -5.959 5.424 -2.380 94 HG22 VAL 13 HG22 VAL 13 -4.595 5.488 -3.496 95 HG23 VAL 13 HG23 VAL 13 -4.430 6.132 -1.864 96 H ILE 14 H ILE 14 -2.736 1.518 -3.252 97 HA ILE 14 HA ILE 14 -2.540 0.026 -0.845 98 HB ILE 14 HB ILE 14 -2.329 -1.936 -2.201 99 HG12 ILE 14 HG12 ILE 14 -2.047 -0.105 -4.588 100 HG13 ILE 14 HG13 ILE 14 -0.735 -1.038 -3.878 101 HG21 ILE 14 HG21 ILE 14 -4.318 -1.572 -3.738 102 HG22 ILE 14 HG22 ILE 14 -4.302 0.096 -3.160 103 HG23 ILE 14 HG23 ILE 14 -4.540 -1.228 -2.026 104 HD11 ILE 14 HD11 ILE 14 -1.857 -3.103 -4.455 105 HD12 ILE 14 HD12 ILE 14 -1.647 -2.091 -5.884 106 HD13 ILE 14 HD13 ILE 14 -3.225 -2.199 -5.104 107 H LEU 15 H LEU 15 -0.087 0.377 -3.470 108 HA LEU 15 HA LEU 15 1.924 -0.812 -2.088 109 HB2 LEU 15 HB2 LEU 15 2.305 1.499 -3.986 110 HB3 LEU 15 HB3 LEU 15 3.504 0.301 -3.558 111 HG LEU 15 HG LEU 15 0.931 -0.568 -4.814 112 HD11 LEU 15 HD11 LEU 15 3.349 0.466 -6.285 113 HD12 LEU 15 HD12 LEU 15 1.748 1.204 -6.257 114 HD13 LEU 15 HD13 LEU 15 1.979 -0.370 -7.016 115 HD21 LEU 15 HD21 LEU 15 2.347 -2.376 -5.642 116 HD22 LEU 15 HD22 LEU 15 2.436 -2.250 -3.885 117 HD23 LEU 15 HD23 LEU 15 3.753 -1.631 -4.883 118 H LEU 16 H LEU 16 0.710 2.397 -1.540 119 HA LEU 16 HA LEU 16 3.093 3.378 -0.228 120 HB2 LEU 16 HB2 LEU 16 1.628 4.908 -1.433 121 HB3 LEU 16 HB3 LEU 16 0.278 4.439 -0.421 122 HG LEU 16 HG LEU 16 1.454 5.356 1.533 123 HD11 LEU 16 HD11 LEU 16 3.400 6.797 1.196 124 HD12 LEU 16 HD12 LEU 16 3.428 6.357 -0.512 125 HD13 LEU 16 HD13 LEU 16 3.741 5.133 0.718 126 HD21 LEU 16 HD21 LEU 16 1.000 7.226 -0.781 127 HD22 LEU 16 HD22 LEU 16 1.149 7.730 0.904 128 HD23 LEU 16 HD23 LEU 16 -0.190 6.695 0.406 129 H VAL 17 H VAL 17 -0.176 2.330 0.611 130 HA VAL 17 HA VAL 17 0.087 2.560 3.365 131 HB VAL 17 HB VAL 17 -1.985 2.176 1.881 132 HG11 VAL 17 HG11 VAL 17 -2.843 -0.146 2.005 133 HG12 VAL 17 HG12 VAL 17 -1.230 -0.654 2.501 134 HG13 VAL 17 HG13 VAL 17 -1.477 0.082 0.916 135 HG21 VAL 17 HG21 VAL 17 -3.209 1.151 3.840 136 HG22 VAL 17 HG22 VAL 17 -2.269 2.607 4.177 137 HG23 VAL 17 HG23 VAL 17 -1.636 1.023 4.626 138 H LEU 18 H LEU 18 0.720 -0.234 1.247 139 HA LEU 18 HA LEU 18 1.502 -1.999 3.282 140 HB2 LEU 18 HB2 LEU 18 1.993 -1.808 0.336 141 HB3 LEU 18 HB3 LEU 18 2.937 -2.954 1.267 142 HG LEU 18 HG LEU 18 0.940 -3.891 0.138 143 HD11 LEU 18 HD11 LEU 18 1.009 -4.095 3.143 144 HD12 LEU 18 HD12 LEU 18 1.986 -5.031 2.010 145 HD13 LEU 18 HD13 LEU 18 0.236 -5.247 2.054 146 HD21 LEU 18 HD21 LEU 18 -0.629 -2.091 0.427 147 HD22 LEU 18 HD22 LEU 18 -0.549 -2.263 2.179 148 HD23 LEU 18 HD23 LEU 18 -1.252 -3.547 1.196 149 H TYR 19 H TYR 19 3.030 0.658 1.775 150 HA TYR 19 HA TYR 19 5.762 -0.020 2.009 151 HB2 TYR 19 HB2 TYR 19 4.982 1.828 0.618 152 HB3 TYR 19 HB3 TYR 19 4.421 2.683 2.046 153 HD1 TYR 19 HD1 TYR 19 7.431 1.527 0.247 154 HD2 TYR 19 HD2 TYR 19 5.903 3.990 3.359 155 HE1 TYR 19 HE1 TYR 19 9.616 2.639 0.430 156 HE2 TYR 19 HE2 TYR 19 8.083 5.114 3.549 157 HH TYR 19 HH TYR 19 10.444 4.652 3.030 158 H ARG 20 H ARG 20 3.971 2.288 4.087 159 HA ARG 20 HA ARG 20 5.829 2.463 6.032 160 HB2 ARG 20 HB2 ARG 20 3.826 2.840 7.630 161 HB3 ARG 20 HB3 ARG 20 4.094 3.945 6.291 162 HG2 ARG 20 HG2 ARG 20 2.424 2.517 5.004 163 HG3 ARG 20 HG3 ARG 20 2.014 1.808 6.570 164 HD2 ARG 20 HD2 ARG 20 1.581 4.080 7.435 165 HD3 ARG 20 HD3 ARG 20 1.892 4.722 5.825 166 HE ARG 20 HE ARG 20 -0.116 2.756 5.679 167 HH11 ARG 20 HH11 ARG 20 0.424 5.995 6.843 168 HH12 ARG 20 HH12 ARG 20 -1.230 6.475 6.666 169 HH21 ARG 20 HH21 ARG 20 -2.302 3.381 5.450 170 HH22 ARG 20 HH22 ARG 20 -2.777 4.990 5.873 171 H GLU 21 H GLU 21 3.313 -0.078 5.995 172 HA GLU 21 HA GLU 21 4.010 -1.074 8.591 173 HB2 GLU 21 HB2 GLU 21 1.797 -1.490 7.571 174 HB3 GLU 21 HB3 GLU 21 2.570 -2.443 6.312 175 HG2 GLU 21 HG2 GLU 21 1.601 -3.877 8.000 176 HG3 GLU 21 HG3 GLU 21 3.357 -4.030 7.988 177 H HIS 22 H HIS 22 5.340 -1.301 5.448 178 HA HIS 22 HA HIS 22 6.583 -3.910 5.846 179 HB2 HIS 22 HB2 HIS 22 5.962 -3.460 3.586 180 HB3 HIS 22 HB3 HIS 22 6.752 -1.886 3.610 181 HD1 HIS 22 HD1 HIS 22 7.373 -5.481 3.018 182 HD2 HIS 22 HD2 HIS 22 9.604 -2.003 3.455 183 HE1 HIS 22 HE1 HIS 22 9.672 -6.047 2.173 184 HE2 HIS 22 HE2 HIS 22 10.979 -3.901 2.360 185 H LEU 23 H LEU 23 7.456 -0.472 5.715 186 HA LEU 23 HA LEU 23 10.100 -0.772 6.368 187 HB2 LEU 23 HB2 LEU 23 8.140 1.450 6.751 188 HB3 LEU 23 HB3 LEU 23 9.738 1.594 7.456 189 HG LEU 23 HG LEU 23 10.646 1.125 5.129 190 HD11 LEU 23 HD11 LEU 23 9.194 1.607 3.257 191 HD12 LEU 23 HD12 LEU 23 7.827 1.837 4.349 192 HD13 LEU 23 HD13 LEU 23 8.565 0.243 4.180 193 HD21 LEU 23 HD21 LEU 23 9.073 3.648 5.614 194 HD22 LEU 23 HD22 LEU 23 10.372 3.458 4.437 195 HD23 LEU 23 HD23 LEU 23 10.718 3.325 6.161 196 H ASN 24 H ASN 24 7.717 -1.903 8.193 197 HA ASN 24 HA ASN 24 8.942 -1.295 10.756 198 HB2 ASN 24 HB2 ASN 24 6.429 -2.779 9.991 199 HB3 ASN 24 HB3 ASN 24 6.997 -2.635 11.650 200 HD21 ASN 24 HD21 ASN 24 6.954 -0.633 12.668 201 HD22 ASN 24 HD22 ASN 24 6.000 0.677 12.071 202 HA PRO 25 HA PRO 25 11.246 -5.225 10.150 203 HB2 PRO 25 HB2 PRO 25 12.744 -4.137 12.446 204 HB3 PRO 25 HB3 PRO 25 13.338 -4.698 10.884 205 HG2 PRO 25 HG2 PRO 25 13.304 -2.094 11.520 206 HG3 PRO 25 HG3 PRO 25 12.987 -2.653 9.866 207 HD2 PRO 25 HD2 PRO 25 11.052 -1.740 11.962 208 HD3 PRO 25 HD3 PRO 25 11.056 -1.435 10.215 209 H ASN 26 H ASN 26 9.757 -3.743 12.900 210 HA ASN 26 HA ASN 26 9.734 -6.322 14.295 211 HB2 ASN 26 HB2 ASN 26 11.116 -4.608 15.505 212 HB3 ASN 26 HB3 ASN 26 9.668 -3.620 15.658 213 HD21 ASN 26 HD21 ASN 26 8.105 -4.183 17.126 214 HD22 ASN 26 HD22 ASN 26 8.328 -5.418 18.314 215 H GLY 27 H GLY 27 7.915 -5.077 12.306 216 HA2 GLY 27 HA2 GLY 27 5.548 -4.570 13.990 217 HA3 GLY 27 HA3 GLY 27 5.745 -3.859 12.395 218 H HIS 28 H HIS 28 4.716 -4.873 10.799 219 HA HIS 28 HA HIS 28 4.231 -7.756 11.088 220 HB2 HIS 28 HB2 HIS 28 2.605 -5.656 9.643 221 HB3 HIS 28 HB3 HIS 28 2.219 -7.372 9.697 222 HD1 HIS 28 HD1 HIS 28 0.949 -8.204 11.704 223 HD2 HIS 28 HD2 HIS 28 2.347 -4.320 12.185 224 HE1 HIS 28 HE1 HIS 28 -0.120 -7.361 13.818 225 HE2 HIS 28 HE2 HIS 28 0.665 -4.977 14.036 226 H HIS 29 H HIS 29 5.477 -5.293 8.969 227 HA HIS 29 HA HIS 29 6.653 -5.405 7.019 228 HB2 HIS 29 HB2 HIS 29 7.807 -7.299 8.201 229 HB3 HIS 29 HB3 HIS 29 6.672 -8.403 7.435 230 HD1 HIS 29 HD1 HIS 29 7.113 -9.050 5.023 231 HD2 HIS 29 HD2 HIS 29 9.694 -6.113 6.427 232 HE1 HIS 29 HE1 HIS 29 8.908 -8.841 3.274 233 HE2 HIS 29 HE2 HIS 29 10.507 -7.124 4.189 234 H PHE 30 H PHE 30 3.642 -6.332 7.428 235 HA PHE 30 HA PHE 30 2.915 -6.157 4.694 236 HB2 PHE 30 HB2 PHE 30 1.832 -8.419 4.539 237 HB3 PHE 30 HB3 PHE 30 3.586 -8.458 4.508 238 HD1 PHE 30 HD1 PHE 30 0.747 -8.728 6.910 239 HD2 PHE 30 HD2 PHE 30 4.682 -9.966 5.862 240 HE1 PHE 30 HE1 PHE 30 0.727 -10.343 8.763 241 HE2 PHE 30 HE2 PHE 30 4.667 -11.587 7.713 242 HZ PHE 30 HZ PHE 30 2.686 -11.776 9.168 243 H LEU 31 H LEU 31 0.463 -6.674 4.469 244 HA LEU 31 HA LEU 31 -0.989 -6.448 7.001 245 HB2 LEU 31 HB2 LEU 31 -1.029 -4.542 4.678 246 HB3 LEU 31 HB3 LEU 31 -2.358 -4.643 5.811 247 HG LEU 31 HG LEU 31 0.482 -3.970 6.570 248 HD11 LEU 31 HD11 LEU 31 -1.908 -2.168 6.213 249 HD12 LEU 31 HD12 LEU 31 -0.487 -2.228 5.172 250 HD13 LEU 31 HD13 LEU 31 -0.334 -1.683 6.843 251 HD21 LEU 31 HD21 LEU 31 -0.790 -5.005 8.375 252 HD22 LEU 31 HD22 LEU 31 -2.092 -3.839 8.138 253 HD23 LEU 31 HD23 LEU 31 -0.512 -3.295 8.702 254 H THR 32 H THR 32 -3.054 -7.268 6.990 255 HA THR 32 HA THR 32 -3.676 -9.111 4.841 256 HB THR 32 HB THR 32 -5.580 -9.796 6.211 257 HG1 THR 32 HG1 THR 32 -6.383 -8.408 7.580 258 HG21 THR 32 HG21 THR 32 -3.406 -10.782 6.731 259 HG22 THR 32 HG22 THR 32 -4.375 -10.598 8.193 260 HG23 THR 32 HG23 THR 32 -3.067 -9.466 7.854 261 H LYS 33 H LYS 33 -5.959 -9.104 3.945 262 HA LYS 33 HA LYS 33 -6.391 -6.735 2.511 263 HB2 LYS 33 HB2 LYS 33 -7.276 -9.215 2.192 264 HB3 LYS 33 HB3 LYS 33 -8.675 -8.581 3.047 265 HG2 LYS 33 HG2 LYS 33 -7.531 -7.401 0.523 266 HG3 LYS 33 HG3 LYS 33 -8.899 -8.512 0.589 267 HD2 LYS 33 HD2 LYS 33 -10.133 -6.896 1.962 268 HD3 LYS 33 HD3 LYS 33 -8.764 -5.787 1.879 269 HE2 LYS 33 HE2 LYS 33 -10.483 -5.166 0.268 270 HE3 LYS 33 HE3 LYS 33 -9.004 -5.668 -0.550 271 HZ1 LYS 33 HZ1 LYS 33 -10.000 -7.835 -0.943 272 HZ2 LYS 33 HZ2 LYS 33 -10.961 -6.610 -1.604 273 HZ3 LYS 33 HZ3 LYS 33 -11.418 -7.354 -0.155 274 H GLU 34 H GLU 34 -8.044 -8.006 5.390 275 HA GLU 34 HA GLU 34 -9.828 -5.917 5.729 276 HB2 GLU 34 HB2 GLU 34 -8.534 -7.529 7.935 277 HB3 GLU 34 HB3 GLU 34 -10.078 -6.694 8.012 278 HG2 GLU 34 HG2 GLU 34 -9.460 -8.994 6.176 279 HG3 GLU 34 HG3 GLU 34 -10.292 -9.130 7.724 280 H GLU 35 H GLU 35 -6.440 -6.088 6.580 281 HA GLU 35 HA GLU 35 -6.553 -3.863 8.439 282 HB2 GLU 35 HB2 GLU 35 -4.252 -5.437 7.284 283 HB3 GLU 35 HB3 GLU 35 -4.046 -4.069 8.370 284 HG2 GLU 35 HG2 GLU 35 -5.291 -5.245 10.102 285 HG3 GLU 35 HG3 GLU 35 -5.526 -6.611 9.014 286 H LEU 36 H LEU 36 -6.097 -4.413 5.054 287 HA LEU 36 HA LEU 36 -4.565 -2.085 4.448 288 HB2 LEU 36 HB2 LEU 36 -6.451 -3.598 2.648 289 HB3 LEU 36 HB3 LEU 36 -5.172 -2.509 2.156 290 HG LEU 36 HG LEU 36 -4.712 -5.089 3.604 291 HD11 LEU 36 HD11 LEU 36 -4.124 -4.624 0.716 292 HD12 LEU 36 HD12 LEU 36 -5.677 -5.263 1.253 293 HD13 LEU 36 HD13 LEU 36 -4.191 -6.146 1.603 294 HD21 LEU 36 HD21 LEU 36 -2.831 -3.187 2.243 295 HD22 LEU 36 HD22 LEU 36 -2.381 -4.758 2.905 296 HD23 LEU 36 HD23 LEU 36 -2.956 -3.480 3.977 297 H LEU 37 H LEU 37 -8.024 -2.839 4.270 298 HA LEU 37 HA LEU 37 -8.958 -0.424 3.307 299 HB2 LEU 37 HB2 LEU 37 -10.147 -2.528 5.069 300 HB3 LEU 37 HB3 LEU 37 -11.037 -1.048 4.782 301 HG LEU 37 HG LEU 37 -11.774 -2.800 3.269 302 HD11 LEU 37 HD11 LEU 37 -10.202 -0.656 1.849 303 HD12 LEU 37 HD12 LEU 37 -11.848 -0.507 2.466 304 HD13 LEU 37 HD13 LEU 37 -11.499 -1.622 1.145 305 HD21 LEU 37 HD21 LEU 37 -8.914 -2.850 2.317 306 HD22 LEU 37 HD22 LEU 37 -10.261 -3.688 1.549 307 HD23 LEU 37 HD23 LEU 37 -9.758 -4.137 3.177 308 H GLN 38 H GLN 38 -8.197 -1.315 6.644 309 HA GLN 38 HA GLN 38 -9.243 1.150 7.742 310 HB2 GLN 38 HB2 GLN 38 -9.285 -0.901 9.083 311 HB3 GLN 38 HB3 GLN 38 -7.532 -1.002 8.999 312 HG2 GLN 38 HG2 GLN 38 -7.350 1.096 10.234 313 HG3 GLN 38 HG3 GLN 38 -9.108 1.196 10.319 314 HE21 GLN 38 HE21 GLN 38 -10.230 -0.213 11.665 315 HE22 GLN 38 HE22 GLN 38 -9.446 -1.105 12.921 316 H ARG 39 H ARG 39 -6.040 -0.281 7.200 317 HA ARG 39 HA ARG 39 -4.443 1.725 8.080 318 HB2 ARG 39 HB2 ARG 39 -3.937 -0.603 7.027 319 HB3 ARG 39 HB3 ARG 39 -3.775 0.312 5.534 320 HG2 ARG 39 HG2 ARG 39 -1.616 0.192 6.336 321 HG3 ARG 39 HG3 ARG 39 -2.161 1.787 6.857 322 HD2 ARG 39 HD2 ARG 39 -2.295 -0.669 8.588 323 HD3 ARG 39 HD3 ARG 39 -0.941 0.449 8.591 324 HE ARG 39 HE ARG 39 -3.194 1.980 9.017 325 HH11 ARG 39 HH11 ARG 39 -1.567 -0.659 10.608 326 HH12 ARG 39 HH12 ARG 39 -2.085 -0.192 12.193 327 HH21 ARG 39 HH21 ARG 39 -3.882 2.601 11.101 328 HH22 ARG 39 HH22 ARG 39 -3.401 1.660 12.473 329 H CYS 40 H CYS 40 -5.736 1.396 4.817 330 HA CYS 40 HA CYS 40 -4.472 3.682 3.705 331 HB2 CYS 40 HB2 CYS 40 -6.956 2.196 2.840 332 HB3 CYS 40 HB3 CYS 40 -6.143 3.437 1.891 333 HG CYS 40 HG CYS 40 -4.740 0.457 2.815 334 H ALA 41 H ALA 41 -7.455 3.158 5.461 335 HA ALA 41 HA ALA 41 -8.812 5.483 4.912 336 HB1 ALA 41 HB1 ALA 41 -8.678 4.128 7.600 337 HB2 ALA 41 HB2 ALA 41 -9.702 3.626 6.254 338 HB3 ALA 41 HB3 ALA 41 -9.957 5.194 7.020 339 H GLN 42 H GLN 42 -5.711 5.640 5.861 340 HA GLN 42 HA GLN 42 -6.112 7.845 7.738 341 HB2 GLN 42 HB2 GLN 42 -3.655 6.096 7.464 342 HB3 GLN 42 HB3 GLN 42 -3.794 7.507 8.505 343 HG2 GLN 42 HG2 GLN 42 -5.547 6.388 9.787 344 HG3 GLN 42 HG3 GLN 42 -5.403 4.974 8.745 345 HE21 GLN 42 HE21 GLN 42 -3.581 3.663 8.904 346 HE22 GLN 42 HE22 GLN 42 -2.523 3.726 10.269 347 H LYS 43 H LYS 43 -4.808 6.566 4.820 348 HA LYS 43 HA LYS 43 -2.993 8.280 3.861 349 HB2 LYS 43 HB2 LYS 43 -4.037 6.389 2.628 350 HB3 LYS 43 HB3 LYS 43 -5.413 7.426 2.280 351 HG2 LYS 43 HG2 LYS 43 -4.332 8.526 0.655 352 HG3 LYS 43 HG3 LYS 43 -2.807 8.555 1.549 353 HD2 LYS 43 HD2 LYS 43 -2.475 6.188 1.009 354 HD3 LYS 43 HD3 LYS 43 -3.960 6.209 0.056 355 HE2 LYS 43 HE2 LYS 43 -1.478 7.835 -0.464 356 HE3 LYS 43 HE3 LYS 43 -2.018 6.430 -1.382 357 HZ1 LYS 43 HZ1 LYS 43 -4.000 7.663 -2.023 358 HZ2 LYS 43 HZ2 LYS 43 -2.602 8.487 -2.499 359 HZ3 LYS 43 HZ3 LYS 43 -3.472 9.011 -1.147 360 H SER 44 H SER 44 -6.459 8.842 3.279 361 HA SER 44 HA SER 44 -6.192 11.659 3.834 362 HB2 SER 44 HB2 SER 44 -6.760 10.649 1.040 363 HB3 SER 44 HB3 SER 44 -7.083 12.304 1.563 364 HG SER 44 HG SER 44 -4.770 11.213 0.763 365 HA PRO 45 HA PRO 45 -10.331 10.883 5.272 366 HB2 PRO 45 HB2 PRO 45 -10.742 13.773 4.709 367 HB3 PRO 45 HB3 PRO 45 -11.002 12.870 6.205 368 HG2 PRO 45 HG2 PRO 45 -8.911 14.500 5.944 369 HG3 PRO 45 HG3 PRO 45 -8.762 12.953 6.800 370 HD2 PRO 45 HD2 PRO 45 -7.865 13.692 4.045 371 HD3 PRO 45 HD3 PRO 45 -7.069 12.662 5.253 372 H ARG 46 H ARG 46 -9.691 12.635 2.299 373 HA ARG 46 HA ARG 46 -12.058 12.762 1.110 374 HB2 ARG 46 HB2 ARG 46 -9.937 13.432 0.049 375 HB3 ARG 46 HB3 ARG 46 -9.565 11.745 -0.267 376 HG2 ARG 46 HG2 ARG 46 -10.371 12.691 -2.285 377 HG3 ARG 46 HG3 ARG 46 -11.635 11.632 -1.663 378 HD2 ARG 46 HD2 ARG 46 -11.565 14.614 -1.226 379 HD3 ARG 46 HD3 ARG 46 -12.440 13.835 -2.543 380 HE ARG 46 HE ARG 46 -13.309 12.622 -0.222 381 HH11 ARG 46 HH11 ARG 46 -13.291 15.840 -1.558 382 HH12 ARG 46 HH12 ARG 46 -14.740 16.324 -0.743 383 HH21 ARG 46 HH21 ARG 46 -15.216 13.251 0.856 384 HH22 ARG 46 HH22 ARG 46 -15.834 14.854 0.630 385 H VAL 47 H VAL 47 -10.555 9.820 2.013 386 HA VAL 47 HA VAL 47 -11.910 8.088 0.222 387 HB VAL 47 HB VAL 47 -11.217 6.273 1.678 388 HG11 VAL 47 HG11 VAL 47 -9.537 7.178 0.188 389 HG12 VAL 47 HG12 VAL 47 -8.784 6.692 1.707 390 HG13 VAL 47 HG13 VAL 47 -9.094 8.397 1.383 391 HG21 VAL 47 HG21 VAL 47 -11.718 7.254 3.836 392 HG22 VAL 47 HG22 VAL 47 -10.430 8.439 3.626 393 HG23 VAL 47 HG23 VAL 47 -10.035 6.729 3.794 394 H ALA 48 H ALA 48 -13.376 10.084 2.168 395 HA ALA 48 HA ALA 48 -15.280 10.195 3.411 396 HB1 ALA 48 HB1 ALA 48 -15.905 7.718 1.809 397 HB2 ALA 48 HB2 ALA 48 -16.119 9.381 1.263 398 HB3 ALA 48 HB3 ALA 48 -17.080 8.762 2.606 399 HA PRO 49 HA PRO 49 -15.202 7.882 7.158 400 HB2 PRO 49 HB2 PRO 49 -18.153 7.568 6.929 401 HB3 PRO 49 HB3 PRO 49 -17.190 8.230 8.255 402 HG2 PRO 49 HG2 PRO 49 -18.570 9.841 6.649 403 HG3 PRO 49 HG3 PRO 49 -16.959 10.299 7.233 404 HD2 PRO 49 HD2 PRO 49 -17.787 9.285 4.546 405 HD3 PRO 49 HD3 PRO 49 -16.571 10.509 4.966 406 H GLY 50 H GLY 50 -17.846 6.508 5.184 407 HA2 GLY 50 HA2 GLY 50 -16.568 3.865 5.520 408 HA3 GLY 50 HA3 GLY 50 -18.308 4.110 5.538 409 H SER 51 H SER 51 -15.498 3.691 3.588 410 HA SER 51 HA SER 51 -17.201 3.282 1.255 411 HB2 SER 51 HB2 SER 51 -14.841 5.173 1.305 412 HB3 SER 51 HB3 SER 51 -15.608 4.595 -0.173 413 HG SER 51 HG SER 51 -17.103 6.032 0.111 414 H ALA 52 H ALA 52 -16.435 1.775 -0.183 415 HA ALA 52 HA ALA 52 -13.794 0.605 0.362 416 HB1 ALA 52 HB1 ALA 52 -16.326 -0.978 -0.067 417 HB2 ALA 52 HB2 ALA 52 -15.484 -0.777 1.469 418 HB3 ALA 52 HB3 ALA 52 -14.706 -1.642 0.144 419 HA PRO 53 HA PRO 53 -14.306 1.614 -4.153 420 HB2 PRO 53 HB2 PRO 53 -11.395 2.042 -3.853 421 HB3 PRO 53 HB3 PRO 53 -12.615 3.089 -4.583 422 HG2 PRO 53 HG2 PRO 53 -11.512 3.683 -2.220 423 HG3 PRO 53 HG3 PRO 53 -13.221 4.022 -2.555 424 HD2 PRO 53 HD2 PRO 53 -12.004 1.788 -0.975 425 HD3 PRO 53 HD3 PRO 53 -13.462 2.745 -0.637 426 HA PRO 54 HA PRO 54 -12.949 -2.185 -5.959 427 HB2 PRO 54 HB2 PRO 54 -11.276 -0.600 -7.847 428 HB3 PRO 54 HB3 PRO 54 -12.480 -1.850 -8.186 429 HG2 PRO 54 HG2 PRO 54 -13.048 0.719 -8.580 430 HG3 PRO 54 HG3 PRO 54 -14.263 -0.391 -7.922 431 HD2 PRO 54 HD2 PRO 54 -12.652 1.697 -6.532 432 HD3 PRO 54 HD3 PRO 54 -14.318 1.168 -6.231 433 H TRP 55 H TRP 55 -11.587 -3.345 -4.717 434 HA TRP 55 HA TRP 55 -8.776 -2.524 -4.727 435 HB2 TRP 55 HB2 TRP 55 -10.551 -3.456 -2.594 436 HB3 TRP 55 HB3 TRP 55 -8.955 -4.211 -2.593 437 HD1 TRP 55 HD1 TRP 55 -10.298 -0.583 -2.969 438 HE1 TRP 55 HE1 TRP 55 -8.735 0.978 -1.652 439 HE3 TRP 55 HE3 TRP 55 -6.960 -4.051 -1.215 440 HZ2 TRP 55 HZ2 TRP 55 -6.393 0.764 -0.092 441 HZ3 TRP 55 HZ3 TRP 55 -5.105 -3.272 0.170 442 HH2 TRP 55 HH2 TRP 55 -4.830 -0.928 0.735 443 HA PRO 56 HA PRO 56 -8.964 -7.153 -5.994 444 HB2 PRO 56 HB2 PRO 56 -9.919 -7.318 -8.510 445 HB3 PRO 56 HB3 PRO 56 -10.980 -7.456 -7.103 446 HG2 PRO 56 HG2 PRO 56 -10.491 -5.105 -8.885 447 HG3 PRO 56 HG3 PRO 56 -12.017 -5.701 -8.208 448 HD2 PRO 56 HD2 PRO 56 -10.625 -3.597 -7.164 449 HD3 PRO 56 HD3 PRO 56 -11.684 -4.647 -6.202 450 H ALA 57 H ALA 57 -8.058 -4.182 -7.096 451 HA ALA 57 HA ALA 57 -6.460 -4.620 -9.326 452 HB1 ALA 57 HB1 ALA 57 -7.136 -2.416 -8.380 453 HB2 ALA 57 HB2 ALA 57 -5.426 -2.526 -8.804 454 HB3 ALA 57 HB3 ALA 57 -5.925 -2.643 -7.117 455 H LEU 58 H LEU 58 -5.943 -5.461 -6.009 456 HA LEU 58 HA LEU 58 -3.163 -5.546 -5.854 457 HB2 LEU 58 HB2 LEU 58 -5.390 -6.972 -4.504 458 HB3 LEU 58 HB3 LEU 58 -3.789 -7.672 -4.354 459 HG LEU 58 HG LEU 58 -4.326 -6.224 -2.454 460 HD11 LEU 58 HD11 LEU 58 -2.298 -4.886 -2.479 461 HD12 LEU 58 HD12 LEU 58 -2.177 -5.075 -4.228 462 HD13 LEU 58 HD13 LEU 58 -1.999 -6.478 -3.175 463 HD21 LEU 58 HD21 LEU 58 -4.535 -3.811 -2.751 464 HD22 LEU 58 HD22 LEU 58 -5.826 -4.669 -3.592 465 HD23 LEU 58 HD23 LEU 58 -4.464 -4.014 -4.502 466 H ARG 59 H ARG 59 -5.428 -8.036 -6.971 467 HA ARG 59 HA ARG 59 -3.582 -10.067 -7.508 468 HB2 ARG 59 HB2 ARG 59 -6.150 -9.418 -8.968 469 HB3 ARG 59 HB3 ARG 59 -5.277 -10.940 -9.075 470 HG2 ARG 59 HG2 ARG 59 -5.665 -11.334 -6.696 471 HG3 ARG 59 HG3 ARG 59 -6.542 -9.806 -6.589 472 HD2 ARG 59 HD2 ARG 59 -8.181 -10.638 -8.207 473 HD3 ARG 59 HD3 ARG 59 -7.304 -12.164 -8.310 474 HE ARG 59 HE ARG 59 -7.941 -11.711 -5.630 475 HH11 ARG 59 HH11 ARG 59 -9.553 -12.359 -8.649 476 HH12 ARG 59 HH12 ARG 59 -10.897 -13.161 -7.907 477 HH21 ARG 59 HH21 ARG 59 -9.707 -12.765 -4.645 478 HH22 ARG 59 HH22 ARG 59 -10.985 -13.390 -5.631 479 H SER 60 H SER 60 -4.572 -7.267 -9.393 480 HA SER 60 HA SER 60 -3.177 -7.938 -11.719 481 HB2 SER 60 HB2 SER 60 -3.927 -5.189 -10.696 482 HB3 SER 60 HB3 SER 60 -3.459 -5.573 -12.352 483 HG SER 60 HG SER 60 -5.470 -6.044 -12.666 484 H LEU 61 H LEU 61 -2.172 -6.092 -8.870 485 HA LEU 61 HA LEU 61 0.334 -5.301 -10.029 486 HB2 LEU 61 HB2 LEU 61 -0.858 -5.102 -7.291 487 HB3 LEU 61 HB3 LEU 61 0.854 -4.797 -7.532 488 HG LEU 61 HG LEU 61 -0.081 -3.184 -9.428 489 HD11 LEU 61 HD11 LEU 61 -2.304 -3.269 -7.398 490 HD12 LEU 61 HD12 LEU 61 -2.414 -3.756 -9.089 491 HD13 LEU 61 HD13 LEU 61 -2.121 -2.067 -8.675 492 HD21 LEU 61 HD21 LEU 61 0.066 -1.359 -7.801 493 HD22 LEU 61 HD22 LEU 61 1.373 -2.528 -7.607 494 HD23 LEU 61 HD23 LEU 61 0.010 -2.535 -6.488 495 H LEU 62 H LEU 62 -0.799 -7.998 -8.104 496 HA LEU 62 HA LEU 62 1.690 -8.934 -7.102 497 HB2 LEU 62 HB2 LEU 62 -0.787 -10.456 -7.911 498 HB3 LEU 62 HB3 LEU 62 0.547 -11.128 -7.003 499 HG LEU 62 HG LEU 62 -1.066 -8.810 -5.961 500 HD11 LEU 62 HD11 LEU 62 -2.500 -10.314 -4.814 501 HD12 LEU 62 HD12 LEU 62 -1.557 -11.711 -5.331 502 HD13 LEU 62 HD13 LEU 62 -2.504 -10.803 -6.508 503 HD21 LEU 62 HD21 LEU 62 1.132 -9.293 -4.929 504 HD22 LEU 62 HD22 LEU 62 0.569 -10.921 -4.559 505 HD23 LEU 62 HD23 LEU 62 -0.216 -9.527 -3.818 506 H HIS 63 H HIS 63 -0.089 -9.209 -10.094 507 HA HIS 63 HA HIS 63 1.531 -11.092 -11.381 508 HB2 HIS 63 HB2 HIS 63 -0.724 -10.463 -12.150 509 HB3 HIS 63 HB3 HIS 63 -0.129 -8.866 -12.587 510 HD1 HIS 63 HD1 HIS 63 -0.270 -12.380 -13.766 511 HD2 HIS 63 HD2 HIS 63 1.503 -8.801 -14.910 512 HE1 HIS 63 HE1 HIS 63 0.525 -12.747 -16.123 513 HE2 HIS 63 HE2 HIS 63 1.518 -10.540 -16.824 514 H ARG 64 H ARG 64 1.626 -7.521 -11.406 515 HA ARG 64 HA ARG 64 3.901 -7.382 -13.049 516 HB2 ARG 64 HB2 ARG 64 2.828 -5.359 -11.073 517 HB3 ARG 64 HB3 ARG 64 4.008 -5.025 -12.332 518 HG2 ARG 64 HG2 ARG 64 2.298 -5.734 -14.009 519 HG3 ARG 64 HG3 ARG 64 1.131 -5.814 -12.689 520 HD2 ARG 64 HD2 ARG 64 1.522 -3.449 -12.201 521 HD3 ARG 64 HD3 ARG 64 2.690 -3.370 -13.519 522 HE ARG 64 HE ARG 64 -0.059 -4.163 -14.129 523 HH11 ARG 64 HH11 ARG 64 2.497 -1.803 -14.312 524 HH12 ARG 64 HH12 ARG 64 1.718 -0.866 -15.542 525 HH21 ARG 64 HH21 ARG 64 -1.091 -2.936 -15.750 526 HH22 ARG 64 HH22 ARG 64 -0.322 -1.509 -16.359 527 H ASN 65 H ASN 65 3.598 -8.529 -9.989 528 HA ASN 65 HA ASN 65 5.098 -9.230 -8.442 529 HB2 ASN 65 HB2 ASN 65 7.170 -8.245 -10.410 530 HB3 ASN 65 HB3 ASN 65 7.506 -9.222 -8.985 531 HD21 ASN 65 HD21 ASN 65 5.035 -10.768 -9.315 532 HD22 ASN 65 HD22 ASN 65 5.340 -11.862 -10.618 533 H LEU 66 H LEU 66 4.203 -6.261 -8.764 534 HA LEU 66 HA LEU 66 6.236 -4.927 -7.261 535 HB2 LEU 66 HB2 LEU 66 3.419 -3.939 -7.466 536 HB3 LEU 66 HB3 LEU 66 4.898 -3.012 -7.359 537 HG LEU 66 HG LEU 66 3.746 -4.399 -9.765 538 HD11 LEU 66 HD11 LEU 66 4.711 -1.588 -9.272 539 HD12 LEU 66 HD12 LEU 66 3.025 -2.111 -9.267 540 HD13 LEU 66 HD13 LEU 66 3.971 -2.193 -10.754 541 HD21 LEU 66 HD21 LEU 66 5.779 -3.899 -10.985 542 HD22 LEU 66 HD22 LEU 66 6.139 -4.977 -9.636 543 HD23 LEU 66 HD23 LEU 66 6.525 -3.261 -9.522 544 H VAL 67 H VAL 67 3.228 -6.534 -6.554 545 HA VAL 67 HA VAL 67 3.787 -6.237 -3.684 546 HB VAL 67 HB VAL 67 1.327 -6.846 -3.435 547 HG11 VAL 67 HG11 VAL 67 0.564 -4.575 -3.875 548 HG12 VAL 67 HG12 VAL 67 1.983 -4.284 -4.883 549 HG13 VAL 67 HG13 VAL 67 2.173 -4.562 -3.152 550 HG21 VAL 67 HG21 VAL 67 1.260 -6.144 -6.357 551 HG22 VAL 67 HG22 VAL 67 -0.119 -6.529 -5.326 552 HG23 VAL 67 HG23 VAL 67 1.076 -7.768 -5.700 553 H LEU 68 H LEU 68 2.909 -8.130 -2.357 554 HA LEU 68 HA LEU 68 3.481 -10.644 -3.775 555 HB2 LEU 68 HB2 LEU 68 5.388 -9.869 -2.315 556 HB3 LEU 68 HB3 LEU 68 4.315 -10.060 -0.944 557 HG LEU 68 HG LEU 68 4.065 -12.475 -1.547 558 HD11 LEU 68 HD11 LEU 68 6.312 -11.853 -3.458 559 HD12 LEU 68 HD12 LEU 68 4.669 -12.320 -3.900 560 HD13 LEU 68 HD13 LEU 68 5.714 -13.463 -3.054 561 HD21 LEU 68 HD21 LEU 68 6.863 -11.509 -0.979 562 HD22 LEU 68 HD22 LEU 68 6.249 -13.132 -0.672 563 HD23 LEU 68 HD23 LEU 68 5.586 -11.757 0.211 564 H ARG 69 H ARG 69 2.210 -12.363 -3.248 565 HA ARG 69 HA ARG 69 -0.005 -11.818 -1.378 566 HB2 ARG 69 HB2 ARG 69 -0.997 -12.007 -3.503 567 HB3 ARG 69 HB3 ARG 69 0.023 -13.357 -3.963 568 HG2 ARG 69 HG2 ARG 69 -1.143 -14.714 -2.206 569 HG3 ARG 69 HG3 ARG 69 -2.259 -13.361 -2.006 570 HD2 ARG 69 HD2 ARG 69 -2.831 -13.527 -4.402 571 HD3 ARG 69 HD3 ARG 69 -1.774 -14.933 -4.531 572 HE ARG 69 HE ARG 69 -3.593 -15.441 -2.489 573 HH11 ARG 69 HH11 ARG 69 -3.618 -14.924 -5.935 574 HH12 ARG 69 HH12 ARG 69 -5.021 -15.903 -6.201 575 HH21 ARG 69 HH21 ARG 69 -5.439 -16.732 -2.830 576 HH22 ARG 69 HH22 ARG 69 -6.057 -16.930 -4.436 577 H THR 70 H THR 70 -0.536 -13.431 0.127 578 HA THR 70 HA THR 70 0.999 -15.918 -0.027 579 HB THR 70 HB THR 70 2.121 -14.163 1.375 580 HG1 THR 70 HG1 THR 70 1.590 -16.162 3.192 581 HG21 THR 70 HG21 THR 70 -0.215 -14.717 3.195 582 HG22 THR 70 HG22 THR 70 0.159 -13.188 2.400 583 HG23 THR 70 HG23 THR 70 1.239 -13.824 3.639 584 H HIS 71 H HIS 71 0.431 -16.902 2.418 585 HA HIS 71 HA HIS 71 -1.380 -18.806 2.152 586 HB2 HIS 71 HB2 HIS 71 -0.177 -17.304 4.296 587 HB3 HIS 71 HB3 HIS 71 -1.741 -17.944 4.761 588 HD1 HIS 71 HD1 HIS 71 -1.808 -20.716 3.774 589 HD2 HIS 71 HD2 HIS 71 1.730 -18.971 5.081 590 HE1 HIS 71 HE1 HIS 71 -0.290 -22.636 4.353 591 HE2 HIS 71 HE2 HIS 71 1.810 -21.557 5.235 592 H GLN 72 H GLN 72 -2.363 -15.590 3.442 593 HA GLN 72 HA GLN 72 -4.771 -15.216 2.791 594 HB2 GLN 72 HB2 GLN 72 -6.421 -16.480 4.141 595 HB3 GLN 72 HB3 GLN 72 -5.518 -17.509 3.043 596 HG2 GLN 72 HG2 GLN 72 -4.079 -18.207 4.906 597 HG3 GLN 72 HG3 GLN 72 -5.028 -17.198 5.996 598 HE21 GLN 72 HE21 GLN 72 -7.123 -17.818 6.533 599 HE22 GLN 72 HE22 GLN 72 -7.700 -19.424 6.271 600 HA PRO 73 HA PRO 73 -6.846 -14.312 3.439 601 HB2 PRO 73 HB2 PRO 73 -6.862 -11.395 3.762 602 HB3 PRO 73 HB3 PRO 73 -8.179 -12.548 3.984 603 HG2 PRO 73 HG2 PRO 73 -7.036 -11.272 6.061 604 HG3 PRO 73 HG3 PRO 73 -7.653 -12.929 6.194 605 HD2 PRO 73 HD2 PRO 73 -4.830 -11.981 5.853 606 HD3 PRO 73 HD3 PRO 73 -5.467 -13.269 6.898 607 H ALA 74 H ALA 74 -3.785 -13.476 3.448 608 HA ALA 74 HA ALA 74 -2.505 -13.805 1.460 609 HB1 ALA 74 HB1 ALA 74 -4.468 -13.664 -0.062 610 HB2 ALA 74 HB2 ALA 74 -3.084 -12.716 -0.604 611 HB3 ALA 74 HB3 ALA 74 -4.461 -11.913 0.148 612 H ARG 75 H ARG 75 -1.204 -12.838 3.038 613 HA ARG 75 HA ARG 75 -1.321 -10.043 3.717 614 HB2 ARG 75 HB2 ARG 75 1.075 -11.870 3.927 615 HB3 ARG 75 HB3 ARG 75 0.735 -10.427 4.871 616 HG2 ARG 75 HG2 ARG 75 -0.836 -11.493 6.189 617 HG3 ARG 75 HG3 ARG 75 -1.122 -12.763 4.998 618 HD2 ARG 75 HD2 ARG 75 0.962 -13.812 5.496 619 HD3 ARG 75 HD3 ARG 75 1.483 -12.438 6.476 620 HE ARG 75 HE ARG 75 -0.866 -13.435 7.594 621 HH11 ARG 75 HH11 ARG 75 2.417 -14.469 7.048 622 HH12 ARG 75 HH12 ARG 75 2.452 -15.515 8.427 623 HH21 ARG 75 HH21 ARG 75 -0.829 -14.811 9.410 624 HH22 ARG 75 HH22 ARG 75 0.607 -15.712 9.770 625 H TYR 76 H TYR 76 -0.748 -8.446 2.339 626 HA TYR 76 HA TYR 76 0.910 -9.076 0.131 627 HB2 TYR 76 HB2 TYR 76 -0.499 -6.541 0.930 628 HB3 TYR 76 HB3 TYR 76 0.445 -6.697 -0.548 629 HD1 TYR 76 HD1 TYR 76 -0.198 -8.861 -1.985 630 HD2 TYR 76 HD2 TYR 76 -2.779 -6.901 0.770 631 HE1 TYR 76 HE1 TYR 76 -2.142 -9.829 -3.137 632 HE2 TYR 76 HE2 TYR 76 -4.735 -7.859 -0.376 633 HH TYR 76 HH TYR 76 -4.488 -10.367 -2.651 634 H SER 77 H SER 77 2.770 -7.851 -0.575 635 HA SER 77 HA SER 77 4.280 -6.612 1.514 636 HB2 SER 77 HB2 SER 77 4.897 -8.952 1.905 637 HB3 SER 77 HB3 SER 77 5.364 -9.121 0.213 638 HG SER 77 HG SER 77 6.980 -8.516 2.037 639 H LEU 78 H LEU 78 5.737 -5.167 0.734 640 HA LEU 78 HA LEU 78 5.512 -4.466 -2.046 641 HB2 LEU 78 HB2 LEU 78 6.988 -3.330 0.303 642 HB3 LEU 78 HB3 LEU 78 7.314 -2.753 -1.315 643 HG LEU 78 HG LEU 78 4.777 -2.496 0.275 644 HD11 LEU 78 HD11 LEU 78 6.616 -0.854 0.553 645 HD12 LEU 78 HD12 LEU 78 5.125 -0.150 -0.077 646 HD13 LEU 78 HD13 LEU 78 6.478 -0.470 -1.162 647 HD21 LEU 78 HD21 LEU 78 5.163 -1.961 -2.671 648 HD22 LEU 78 HD22 LEU 78 3.761 -1.475 -1.717 649 HD23 LEU 78 HD23 LEU 78 4.112 -3.187 -1.961 650 H THR 79 H THR 79 6.700 -5.349 -3.614 651 HA THR 79 HA THR 79 9.213 -6.639 -2.999 652 HB THR 79 HB THR 79 8.787 -6.528 -5.801 653 HG1 THR 79 HG1 THR 79 6.694 -6.263 -5.881 654 HG21 THR 79 HG21 THR 79 9.748 -8.416 -4.542 655 HG22 THR 79 HG22 THR 79 8.413 -8.933 -5.571 656 HG23 THR 79 HG23 THR 79 8.165 -8.738 -3.835 657 HA PRO 80 HA PRO 80 12.284 -3.718 -4.376 658 HB2 PRO 80 HB2 PRO 80 12.165 -4.814 -7.166 659 HB3 PRO 80 HB3 PRO 80 13.571 -4.357 -6.202 660 HG2 PRO 80 HG2 PRO 80 12.901 -6.909 -6.432 661 HG3 PRO 80 HG3 PRO 80 13.445 -6.266 -4.871 662 HD2 PRO 80 HD2 PRO 80 10.714 -7.027 -5.760 663 HD3 PRO 80 HD3 PRO 80 11.428 -7.071 -4.136 664 H GLU 81 H GLU 81 9.905 -4.184 -7.007 665 HA GLU 81 HA GLU 81 10.160 -1.477 -7.912 666 HB2 GLU 81 HB2 GLU 81 8.091 -3.575 -8.563 667 HB3 GLU 81 HB3 GLU 81 8.271 -2.038 -9.393 668 HG2 GLU 81 HG2 GLU 81 10.534 -2.703 -10.087 669 HG3 GLU 81 HG3 GLU 81 10.290 -4.263 -9.304 670 H GLY 82 H GLY 82 7.657 -3.246 -6.062 671 HA2 GLY 82 HA2 GLY 82 5.786 -1.089 -5.985 672 HA3 GLY 82 HA3 GLY 82 5.817 -2.465 -4.905 673 H LEU 83 H LEU 83 8.568 -2.006 -4.084 674 HA LEU 83 HA LEU 83 8.053 -0.190 -1.959 675 HB2 LEU 83 HB2 LEU 83 9.564 -2.262 -1.963 676 HB3 LEU 83 HB3 LEU 83 10.759 -1.237 -2.715 677 HG LEU 83 HG LEU 83 10.815 0.225 -0.792 678 HD11 LEU 83 HD11 LEU 83 8.707 -1.578 0.385 679 HD12 LEU 83 HD12 LEU 83 8.470 0.087 -0.144 680 HD13 LEU 83 HD13 LEU 83 9.527 -0.262 1.224 681 HD21 LEU 83 HD21 LEU 83 12.213 -1.794 -0.783 682 HD22 LEU 83 HD22 LEU 83 10.935 -2.648 0.084 683 HD23 LEU 83 HD23 LEU 83 11.751 -1.280 0.838 684 H GLU 84 H GLU 84 10.406 -0.184 -4.595 685 HA GLU 84 HA GLU 84 11.481 2.291 -4.255 686 HB2 GLU 84 HB2 GLU 84 10.837 0.834 -6.813 687 HB3 GLU 84 HB3 GLU 84 11.683 2.375 -6.814 688 HG2 GLU 84 HG2 GLU 84 13.458 1.414 -5.463 689 HG3 GLU 84 HG3 GLU 84 12.602 -0.122 -5.423 690 H LEU 85 H LEU 85 8.515 1.528 -6.017 691 HA LEU 85 HA LEU 85 7.983 4.206 -6.854 692 HB2 LEU 85 HB2 LEU 85 6.862 1.606 -7.220 693 HB3 LEU 85 HB3 LEU 85 5.602 2.666 -6.625 694 HG LEU 85 HG LEU 85 7.291 3.167 -9.077 695 HD11 LEU 85 HD11 LEU 85 5.228 2.733 -10.315 696 HD12 LEU 85 HD12 LEU 85 4.411 2.321 -8.808 697 HD13 LEU 85 HD13 LEU 85 5.741 1.320 -9.392 698 HD21 LEU 85 HD21 LEU 85 5.755 5.010 -9.507 699 HD22 LEU 85 HD22 LEU 85 6.593 5.236 -7.971 700 HD23 LEU 85 HD23 LEU 85 4.919 4.679 -7.990 701 H ALA 86 H ALA 86 6.910 2.102 -4.199 702 HA ALA 86 HA ALA 86 4.953 3.795 -3.093 703 HB1 ALA 86 HB1 ALA 86 6.744 1.828 -1.672 704 HB2 ALA 86 HB2 ALA 86 5.196 1.459 -2.432 705 HB3 ALA 86 HB3 ALA 86 5.257 2.528 -1.031 706 H GLN 87 H GLN 87 8.462 3.633 -2.574 707 HA GLN 87 HA GLN 87 8.619 5.448 -0.435 708 HB2 GLN 87 HB2 GLN 87 10.468 3.965 -1.375 709 HB3 GLN 87 HB3 GLN 87 10.657 5.160 -2.648 710 HG2 GLN 87 HG2 GLN 87 10.859 5.899 0.248 711 HG3 GLN 87 HG3 GLN 87 12.236 5.270 -0.651 712 HE21 GLN 87 HE21 GLN 87 13.086 6.496 -2.366 713 HE22 GLN 87 HE22 GLN 87 12.802 8.196 -2.482 714 H LYS 88 H LYS 88 8.652 5.894 -3.933 715 HA LYS 88 HA LYS 88 8.863 8.644 -3.973 716 HB2 LYS 88 HB2 LYS 88 7.254 7.084 -5.983 717 HB3 LYS 88 HB3 LYS 88 8.220 8.527 -6.241 718 HG2 LYS 88 HG2 LYS 88 10.256 7.232 -5.796 719 HG3 LYS 88 HG3 LYS 88 9.271 5.795 -5.564 720 HD2 LYS 88 HD2 LYS 88 8.433 6.071 -7.896 721 HD3 LYS 88 HD3 LYS 88 9.606 7.375 -8.103 722 HE2 LYS 88 HE2 LYS 88 11.426 5.812 -7.595 723 HE3 LYS 88 HE3 LYS 88 10.255 4.509 -7.394 724 HZ1 LYS 88 HZ1 LYS 88 11.273 4.453 -9.581 725 HZ2 LYS 88 HZ2 LYS 88 10.743 6.026 -9.903 726 HZ3 LYS 88 HZ3 LYS 88 9.617 4.778 -9.712 727 H LEU 89 H LEU 89 5.931 6.644 -3.930 728 HA LEU 89 HA LEU 89 4.037 8.726 -4.228 729 HB2 LEU 89 HB2 LEU 89 3.964 5.955 -3.065 730 HB3 LEU 89 HB3 LEU 89 2.567 7.007 -2.987 731 HG LEU 89 HG LEU 89 2.433 7.078 -5.404 732 HD11 LEU 89 HD11 LEU 89 4.865 6.930 -5.849 733 HD12 LEU 89 HD12 LEU 89 3.891 5.853 -6.849 734 HD13 LEU 89 HD13 LEU 89 4.783 5.210 -5.472 735 HD21 LEU 89 HD21 LEU 89 2.780 4.246 -4.441 736 HD22 LEU 89 HD22 LEU 89 1.824 4.775 -5.826 737 HD23 LEU 89 HD23 LEU 89 1.340 5.234 -4.193 738 H ALA 90 H ALA 90 5.824 7.363 -1.594 739 HA ALA 90 HA ALA 90 4.501 8.630 0.503 740 HB1 ALA 90 HB1 ALA 90 6.284 7.907 1.880 741 HB2 ALA 90 HB2 ALA 90 7.399 7.840 0.516 742 HB3 ALA 90 HB3 ALA 90 6.075 6.681 0.629 743 H GLU 91 H GLU 91 7.021 9.794 -1.592 744 HA GLU 91 HA GLU 91 8.032 11.905 -0.034 745 HB2 GLU 91 HB2 GLU 91 7.666 12.071 -3.016 746 HB3 GLU 91 HB3 GLU 91 8.927 12.804 -2.031 747 HG2 GLU 91 HG2 GLU 91 9.873 10.625 -1.576 748 HG3 GLU 91 HG3 GLU 91 8.572 9.864 -2.490 749 H SER 92 H SER 92 5.402 11.808 -2.387 750 HA SER 92 HA SER 92 4.491 14.339 -2.207 751 HB2 SER 92 HB2 SER 92 3.634 12.661 -3.778 752 HB3 SER 92 HB3 SER 92 2.798 11.845 -2.458 753 HG SER 92 HG SER 92 1.269 13.137 -3.288 754 H GLU 93 H GLU 93 4.049 11.823 0.186 755 HA GLU 93 HA GLU 93 1.982 13.327 1.603 756 HB2 GLU 93 HB2 GLU 93 3.309 10.731 2.386 757 HB3 GLU 93 HB3 GLU 93 1.848 11.423 3.068 758 HG2 GLU 93 HG2 GLU 93 2.118 10.510 0.220 759 HG3 GLU 93 HG3 GLU 93 1.455 9.532 1.528 760 H GLY 94 H GLY 94 5.264 13.334 1.287 761 HA2 GLY 94 HA2 GLY 94 6.774 14.697 2.454 762 HA3 GLY 94 HA3 GLY 94 5.572 14.906 3.723 763 H LEU 95 H LEU 95 5.376 11.769 3.258 764 HA LEU 95 HA LEU 95 6.343 9.844 4.011 765 HB2 LEU 95 HB2 LEU 95 8.515 11.004 3.146 766 HB3 LEU 95 HB3 LEU 95 8.819 11.316 4.844 767 HG LEU 95 HG LEU 95 9.983 9.302 3.952 768 HD11 LEU 95 HD11 LEU 95 7.957 8.688 6.092 769 HD12 LEU 95 HD12 LEU 95 9.494 9.512 6.345 770 HD13 LEU 95 HD13 LEU 95 9.472 7.835 5.803 771 HD21 LEU 95 HD21 LEU 95 8.322 8.536 2.381 772 HD22 LEU 95 HD22 LEU 95 7.180 8.229 3.689 773 HD23 LEU 95 HD23 LEU 95 8.655 7.269 3.562 774 H SER 96 H SER 96 4.684 11.557 5.444 775 HA SER 96 HA SER 96 5.596 11.083 8.185 776 HB2 SER 96 HB2 SER 96 3.456 12.933 7.097 777 HB3 SER 96 HB3 SER 96 3.899 12.788 8.798 778 HG SER 96 HG SER 96 4.936 14.447 7.178 779 H LEU 97 H LEU 97 4.609 8.862 6.792 780 HA LEU 97 HA LEU 97 1.799 8.563 7.572 781 HB2 LEU 97 HB2 LEU 97 3.519 6.694 5.939 782 HB3 LEU 97 HB3 LEU 97 1.801 6.527 6.244 783 HG LEU 97 HG LEU 97 1.563 8.788 5.028 784 HD11 LEU 97 HD11 LEU 97 3.860 9.472 4.976 785 HD12 LEU 97 HD12 LEU 97 3.335 9.158 3.322 786 HD13 LEU 97 HD13 LEU 97 4.335 7.978 4.168 787 HD21 LEU 97 HD21 LEU 97 2.410 6.317 3.522 788 HD22 LEU 97 HD22 LEU 97 1.493 7.669 2.856 789 HD23 LEU 97 HD23 LEU 97 0.788 6.665 4.123 790 H LEU 98 H LEU 98 4.453 6.210 7.424 791 HA LEU 98 HA LEU 98 3.795 4.751 9.592 792 HB2 LEU 98 HB2 LEU 98 5.576 4.125 8.051 793 HB3 LEU 98 HB3 LEU 98 6.595 5.406 8.676 794 HG LEU 98 HG LEU 98 6.665 4.271 10.866 795 HD11 LEU 98 HD11 LEU 98 5.123 2.098 9.456 796 HD12 LEU 98 HD12 LEU 98 4.523 3.121 10.762 797 HD13 LEU 98 HD13 LEU 98 5.834 1.980 11.066 798 HD21 LEU 98 HD21 LEU 98 8.094 2.410 10.179 799 HD22 LEU 98 HD22 LEU 98 8.418 3.857 9.227 800 HD23 LEU 98 HD23 LEU 98 7.473 2.541 8.533 801 H ASN 99 H ASN 99 5.948 7.577 9.645 802 HA ASN 99 HA ASN 99 5.768 7.590 12.580 803 HB2 ASN 99 HB2 ASN 99 7.754 8.963 10.756 804 HB3 ASN 99 HB3 ASN 99 7.754 9.061 12.514 805 HD21 ASN 99 HD21 ASN 99 8.363 7.268 13.723 806 HD22 ASN 99 HD22 ASN 99 9.217 5.939 13.025 807 H VAL 100 H VAL 100 4.681 9.155 13.590 808 HA VAL 100 HA VAL 100 4.070 11.632 12.134 809 HB VAL 100 HB VAL 100 1.768 11.610 13.048 810 HG11 VAL 100 HG11 VAL 100 0.864 9.943 11.489 811 HG12 VAL 100 HG12 VAL 100 2.473 9.243 11.317 812 HG13 VAL 100 HG13 VAL 100 2.163 10.888 10.762 813 HG21 VAL 100 HG21 VAL 100 0.837 9.513 13.911 814 HG22 VAL 100 HG22 VAL 100 2.130 10.123 14.943 815 HG23 VAL 100 HG23 VAL 100 2.437 8.778 13.845 816 H GLY 101 H GLY 101 5.044 10.065 14.979 817 HA2 GLY 101 HA2 GLY 101 5.556 12.597 16.269 818 HA3 GLY 101 HA3 GLY 101 4.304 11.642 17.048 819 H ILE 102 H ILE 102 5.104 10.705 18.800 820 HA ILE 102 HA ILE 102 7.894 10.058 19.042 821 HB ILE 102 HB ILE 102 6.671 10.863 20.987 822 HG12 ILE 102 HG12 ILE 102 7.319 9.090 22.609 823 HG13 ILE 102 HG13 ILE 102 7.566 7.985 21.261 824 HG21 ILE 102 HG21 ILE 102 5.053 8.332 20.743 825 HG22 ILE 102 HG22 ILE 102 4.475 9.975 20.462 826 HG23 ILE 102 HG23 ILE 102 4.970 9.479 22.081 827 HD11 ILE 102 HD11 ILE 102 9.335 9.426 20.402 828 HD12 ILE 102 HD12 ILE 102 9.669 8.902 22.052 829 HD13 ILE 102 HD13 ILE 102 9.083 10.537 21.748 830 H GLY 103 H GLY 103 8.845 8.042 19.138 831 HA2 GLY 103 HA2 GLY 103 7.978 5.574 19.368 832 HA3 GLY 103 HA3 GLY 103 7.351 5.931 17.766 Start of MODEL 7 1 H GLY 1 H GLY 1 6.875 1.530 -20.791 2 HA2 GLY 1 HA2 GLY 1 8.469 -0.711 -19.670 3 HA3 GLY 1 HA3 GLY 1 9.121 0.809 -20.263 4 H SER 2 H SER 2 7.337 2.629 -19.227 5 HA SER 2 HA SER 2 7.926 2.406 -16.365 6 HB2 SER 2 HB2 SER 2 7.197 4.825 -18.034 7 HB3 SER 2 HB3 SER 2 7.580 4.855 -16.313 8 HG SER 2 HG SER 2 9.627 4.734 -16.779 9 H TYR 3 H TYR 3 6.364 2.857 -14.787 10 HA TYR 3 HA TYR 3 3.579 3.036 -15.682 11 HB2 TYR 3 HB2 TYR 3 4.123 0.639 -15.285 12 HB3 TYR 3 HB3 TYR 3 4.549 1.040 -13.626 13 HD1 TYR 3 HD1 TYR 3 1.736 1.034 -16.045 14 HD2 TYR 3 HD2 TYR 3 2.898 1.151 -11.955 15 HE1 TYR 3 HE1 TYR 3 -0.610 0.717 -15.377 16 HE2 TYR 3 HE2 TYR 3 0.556 0.832 -11.275 17 HH TYR 3 HH TYR 3 -1.875 -0.117 -13.439 18 H TRP 4 H TRP 4 2.588 4.641 -14.647 19 HA TRP 4 HA TRP 4 3.311 5.231 -11.887 20 HB2 TRP 4 HB2 TRP 4 4.721 6.751 -13.167 21 HB3 TRP 4 HB3 TRP 4 3.324 7.318 -14.076 22 HD1 TRP 4 HD1 TRP 4 1.754 9.108 -12.928 23 HE1 TRP 4 HE1 TRP 4 2.002 10.559 -10.817 24 HE3 TRP 4 HE3 TRP 4 5.709 6.707 -10.752 25 HZ2 TRP 4 HZ2 TRP 4 3.656 10.672 -8.532 26 HZ3 TRP 4 HZ3 TRP 4 6.563 7.550 -8.604 27 HH2 TRP 4 HH2 TRP 4 5.557 9.492 -7.519 28 HA PRO 5 HA PRO 5 -1.227 5.305 -12.211 29 HB2 PRO 5 HB2 PRO 5 -1.122 5.074 -9.296 30 HB3 PRO 5 HB3 PRO 5 -1.827 3.968 -10.478 31 HG2 PRO 5 HG2 PRO 5 0.404 3.366 -9.078 32 HG3 PRO 5 HG3 PRO 5 0.123 2.780 -10.727 33 HD2 PRO 5 HD2 PRO 5 1.839 5.047 -9.786 34 HD3 PRO 5 HD3 PRO 5 2.165 3.831 -11.040 35 H ALA 6 H ALA 6 -2.897 6.669 -11.141 36 HA ALA 6 HA ALA 6 -1.998 9.372 -10.964 37 HB1 ALA 6 HB1 ALA 6 -4.341 9.924 -10.563 38 HB2 ALA 6 HB2 ALA 6 -4.715 8.215 -10.348 39 HB3 ALA 6 HB3 ALA 6 -4.176 8.807 -11.917 40 H ARG 7 H ARG 7 -3.499 10.514 -8.959 41 HA ARG 7 HA ARG 7 -1.949 9.722 -6.625 42 HB2 ARG 7 HB2 ARG 7 -3.737 12.113 -7.095 43 HB3 ARG 7 HB3 ARG 7 -2.772 11.843 -5.649 44 HG2 ARG 7 HG2 ARG 7 -0.732 11.931 -6.989 45 HG3 ARG 7 HG3 ARG 7 -1.698 12.198 -8.441 46 HD2 ARG 7 HD2 ARG 7 -2.558 14.278 -7.490 47 HD3 ARG 7 HD3 ARG 7 -1.611 14.008 -6.028 48 HE ARG 7 HE ARG 7 0.131 13.970 -8.211 49 HH11 ARG 7 HH11 ARG 7 -1.934 16.212 -6.522 50 HH12 ARG 7 HH12 ARG 7 -0.965 17.594 -6.908 51 HH21 ARG 7 HH21 ARG 7 1.413 15.785 -8.723 52 HH22 ARG 7 HH22 ARG 7 0.936 17.352 -8.158 53 H HIS 8 H HIS 8 -2.756 8.946 -4.754 54 HA HIS 8 HA HIS 8 -4.166 7.895 -3.320 55 HB2 HIS 8 HB2 HIS 8 -6.177 9.826 -4.496 56 HB3 HIS 8 HB3 HIS 8 -6.423 8.874 -3.035 57 HD1 HIS 8 HD1 HIS 8 -5.427 9.758 -0.886 58 HD2 HIS 8 HD2 HIS 8 -4.220 11.901 -4.236 59 HE1 HIS 8 HE1 HIS 8 -4.242 11.788 0.006 60 HE2 HIS 8 HE2 HIS 8 -3.585 13.107 -2.038 61 H SER 9 H SER 9 -4.053 7.133 -6.327 62 HA SER 9 HA SER 9 -6.575 5.994 -6.993 63 HB2 SER 9 HB2 SER 9 -3.796 5.298 -7.971 64 HB3 SER 9 HB3 SER 9 -5.297 4.719 -8.693 65 HG SER 9 HG SER 9 -5.828 6.981 -9.008 66 H GLY 10 H GLY 10 -6.915 3.600 -7.225 67 HA2 GLY 10 HA2 GLY 10 -6.758 2.260 -4.866 68 HA3 GLY 10 HA3 GLY 10 -6.897 1.441 -6.414 69 H ALA 11 H ALA 11 -4.699 1.318 -7.618 70 HA ALA 11 HA ALA 11 -2.931 -0.206 -6.181 71 HB1 ALA 11 HB1 ALA 11 -3.049 -0.262 -8.600 72 HB2 ALA 11 HB2 ALA 11 -1.390 0.038 -8.080 73 HB3 ALA 11 HB3 ALA 11 -2.375 1.366 -8.693 74 H ARG 12 H ARG 12 -3.092 3.236 -6.348 75 HA ARG 12 HA ARG 12 -0.362 3.852 -5.749 76 HB2 ARG 12 HB2 ARG 12 -2.264 5.318 -6.778 77 HB3 ARG 12 HB3 ARG 12 -2.707 5.607 -5.110 78 HG2 ARG 12 HG2 ARG 12 0.070 6.082 -6.097 79 HG3 ARG 12 HG3 ARG 12 -1.193 7.302 -6.256 80 HD2 ARG 12 HD2 ARG 12 -1.563 7.137 -3.796 81 HD3 ARG 12 HD3 ARG 12 -0.166 6.066 -3.705 82 HE ARG 12 HE ARG 12 0.915 8.175 -4.892 83 HH11 ARG 12 HH11 ARG 12 -1.250 8.003 -2.168 84 HH12 ARG 12 HH12 ARG 12 -0.641 9.445 -1.429 85 HH21 ARG 12 HH21 ARG 12 1.720 10.075 -3.928 86 HH22 ARG 12 HH22 ARG 12 1.047 10.623 -2.429 87 H VAL 13 H VAL 13 -3.392 3.860 -3.917 88 HA VAL 13 HA VAL 13 -2.218 4.592 -1.460 89 HB VAL 13 HB VAL 13 -4.862 3.219 -1.939 90 HG11 VAL 13 HG11 VAL 13 -3.869 4.810 0.419 91 HG12 VAL 13 HG12 VAL 13 -4.124 3.066 0.377 92 HG13 VAL 13 HG13 VAL 13 -5.496 4.164 0.222 93 HG21 VAL 13 HG21 VAL 13 -4.655 5.327 -3.176 94 HG22 VAL 13 HG22 VAL 13 -4.231 6.157 -1.680 95 HG23 VAL 13 HG23 VAL 13 -5.833 5.446 -1.871 96 H ILE 14 H ILE 14 -2.990 1.442 -2.908 97 HA ILE 14 HA ILE 14 -2.514 -0.042 -0.614 98 HB ILE 14 HB ILE 14 -2.391 -2.001 -1.985 99 HG12 ILE 14 HG12 ILE 14 -2.186 -0.170 -4.376 100 HG13 ILE 14 HG13 ILE 14 -0.870 -1.147 -3.738 101 HG21 ILE 14 HG21 ILE 14 -4.378 0.046 -2.883 102 HG22 ILE 14 HG22 ILE 14 -4.582 -1.243 -1.702 103 HG23 ILE 14 HG23 ILE 14 -4.444 -1.634 -3.413 104 HD11 ILE 14 HD11 ILE 14 -3.451 -2.235 -4.834 105 HD12 ILE 14 HD12 ILE 14 -2.060 -3.171 -4.284 106 HD13 ILE 14 HD13 ILE 14 -1.924 -2.143 -5.711 107 H LEU 15 H LEU 15 -0.180 0.122 -3.364 108 HA LEU 15 HA LEU 15 1.876 -0.917 -2.038 109 HB2 LEU 15 HB2 LEU 15 2.230 1.363 -3.973 110 HB3 LEU 15 HB3 LEU 15 3.391 0.110 -3.604 111 HG LEU 15 HG LEU 15 0.716 -0.575 -4.771 112 HD11 LEU 15 HD11 LEU 15 1.803 -0.555 -6.983 113 HD12 LEU 15 HD12 LEU 15 3.210 0.222 -6.259 114 HD13 LEU 15 HD13 LEU 15 1.655 1.053 -6.278 115 HD21 LEU 15 HD21 LEU 15 2.031 -2.380 -3.818 116 HD22 LEU 15 HD22 LEU 15 3.419 -1.909 -4.798 117 HD23 LEU 15 HD23 LEU 15 1.961 -2.528 -5.573 118 H LEU 16 H LEU 16 0.708 2.313 -1.548 119 HA LEU 16 HA LEU 16 3.144 3.335 -0.380 120 HB2 LEU 16 HB2 LEU 16 1.677 4.836 -1.555 121 HB3 LEU 16 HB3 LEU 16 0.318 4.354 -0.563 122 HG LEU 16 HG LEU 16 1.363 5.361 1.386 123 HD11 LEU 16 HD11 LEU 16 3.506 6.244 -0.543 124 HD12 LEU 16 HD12 LEU 16 3.700 5.060 0.749 125 HD13 LEU 16 HD13 LEU 16 3.364 6.747 1.142 126 HD21 LEU 16 HD21 LEU 16 1.018 7.657 0.747 127 HD22 LEU 16 HD22 LEU 16 -0.148 6.634 -0.093 128 HD23 LEU 16 HD23 LEU 16 1.261 7.254 -0.952 129 H VAL 17 H VAL 17 -0.011 2.145 0.615 130 HA VAL 17 HA VAL 17 0.364 2.595 3.390 131 HB VAL 17 HB VAL 17 -1.805 2.254 2.061 132 HG11 VAL 17 HG11 VAL 17 -1.102 -0.607 2.631 133 HG12 VAL 17 HG12 VAL 17 -1.403 0.141 1.060 134 HG13 VAL 17 HG13 VAL 17 -2.721 -0.042 2.219 135 HG21 VAL 17 HG21 VAL 17 -1.709 2.637 4.465 136 HG22 VAL 17 HG22 VAL 17 -1.454 0.911 4.733 137 HG23 VAL 17 HG23 VAL 17 -2.977 1.483 4.052 138 H LEU 18 H LEU 18 0.613 -0.367 1.382 139 HA LEU 18 HA LEU 18 1.543 -2.047 3.336 140 HB2 LEU 18 HB2 LEU 18 1.919 -1.919 0.375 141 HB3 LEU 18 HB3 LEU 18 2.884 -3.068 1.280 142 HG LEU 18 HG LEU 18 0.787 -3.956 0.251 143 HD11 LEU 18 HD11 LEU 18 1.080 -4.201 3.238 144 HD12 LEU 18 HD12 LEU 18 1.959 -5.132 2.026 145 HD13 LEU 18 HD13 LEU 18 0.215 -5.329 2.193 146 HD21 LEU 18 HD21 LEU 18 -1.310 -3.593 1.470 147 HD22 LEU 18 HD22 LEU 18 -0.721 -2.128 0.688 148 HD23 LEU 18 HD23 LEU 18 -0.518 -2.342 2.426 149 H TYR 19 H TYR 19 3.112 0.537 1.728 150 HA TYR 19 HA TYR 19 5.823 -0.215 1.961 151 HB2 TYR 19 HB2 TYR 19 5.135 1.628 0.535 152 HB3 TYR 19 HB3 TYR 19 4.555 2.524 1.930 153 HD1 TYR 19 HD1 TYR 19 7.595 1.257 0.253 154 HD2 TYR 19 HD2 TYR 19 6.021 3.834 3.248 155 HE1 TYR 19 HE1 TYR 19 9.798 2.324 0.483 156 HE2 TYR 19 HE2 TYR 19 8.219 4.909 3.489 157 HH TYR 19 HH TYR 19 10.735 4.469 1.264 158 H ARG 20 H ARG 20 4.103 2.187 4.004 159 HA ARG 20 HA ARG 20 6.004 2.273 5.967 160 HB2 ARG 20 HB2 ARG 20 4.170 3.014 7.513 161 HB3 ARG 20 HB3 ARG 20 4.250 3.877 5.984 162 HG2 ARG 20 HG2 ARG 20 2.447 2.311 5.158 163 HG3 ARG 20 HG3 ARG 20 2.265 1.795 6.837 164 HD2 ARG 20 HD2 ARG 20 1.867 4.144 7.476 165 HD3 ARG 20 HD3 ARG 20 1.962 4.597 5.775 166 HE ARG 20 HE ARG 20 0.024 2.580 6.114 167 HH11 ARG 20 HH11 ARG 20 0.562 5.957 6.786 168 HH12 ARG 20 HH12 ARG 20 -1.121 6.364 6.752 169 HH21 ARG 20 HH21 ARG 20 -2.194 3.108 6.070 170 HH22 ARG 20 HH22 ARG 20 -2.687 4.745 6.345 171 H GLU 21 H GLU 21 3.053 0.292 6.302 172 HA GLU 21 HA GLU 21 3.706 -1.187 8.328 173 HB2 GLU 21 HB2 GLU 21 1.625 -1.526 7.101 174 HB3 GLU 21 HB3 GLU 21 2.496 -2.342 5.809 175 HG2 GLU 21 HG2 GLU 21 1.396 -3.957 7.205 176 HG3 GLU 21 HG3 GLU 21 3.142 -4.108 7.376 177 H HIS 22 H HIS 22 5.421 -1.339 5.374 178 HA HIS 22 HA HIS 22 6.543 -3.994 5.849 179 HB2 HIS 22 HB2 HIS 22 6.141 -3.571 3.554 180 HB3 HIS 22 HB3 HIS 22 6.900 -1.986 3.629 181 HD1 HIS 22 HD1 HIS 22 7.628 -5.574 3.113 182 HD2 HIS 22 HD2 HIS 22 9.754 -2.052 3.700 183 HE1 HIS 22 HE1 HIS 22 9.998 -6.099 2.453 184 HE2 HIS 22 HE2 HIS 22 11.244 -3.928 2.727 185 H LEU 23 H LEU 23 7.551 -0.583 5.728 186 HA LEU 23 HA LEU 23 10.194 -1.006 6.490 187 HB2 LEU 23 HB2 LEU 23 8.361 1.355 6.751 188 HB3 LEU 23 HB3 LEU 23 9.997 1.413 7.380 189 HG LEU 23 HG LEU 23 10.754 0.762 5.037 190 HD11 LEU 23 HD11 LEU 23 7.956 1.655 4.371 191 HD12 LEU 23 HD12 LEU 23 8.582 0.013 4.208 192 HD13 LEU 23 HD13 LEU 23 9.244 1.310 3.217 193 HD21 LEU 23 HD21 LEU 23 9.414 3.426 5.470 194 HD22 LEU 23 HD22 LEU 23 10.642 3.077 4.253 195 HD23 LEU 23 HD23 LEU 23 11.050 2.992 5.967 196 H ASN 24 H ASN 24 7.535 -1.732 8.263 197 HA ASN 24 HA ASN 24 8.077 -0.714 10.835 198 HB2 ASN 24 HB2 ASN 24 6.430 -2.945 9.744 199 HB3 ASN 24 HB3 ASN 24 6.786 -2.938 11.469 200 HD21 ASN 24 HD21 ASN 24 5.924 -1.360 12.772 201 HD22 ASN 24 HD22 ASN 24 4.675 -0.291 12.242 202 HA PRO 25 HA PRO 25 11.874 -3.098 11.453 203 HB2 PRO 25 HB2 PRO 25 11.732 -1.749 14.079 204 HB3 PRO 25 HB3 PRO 25 13.041 -1.775 12.898 205 HG2 PRO 25 HG2 PRO 25 11.553 0.416 13.277 206 HG3 PRO 25 HG3 PRO 25 12.146 -0.033 11.667 207 HD2 PRO 25 HD2 PRO 25 9.413 -0.363 12.840 208 HD3 PRO 25 HD3 PRO 25 9.889 0.092 11.193 209 H ASN 26 H ASN 26 9.169 -2.794 13.699 210 HA ASN 26 HA ASN 26 9.923 -5.378 14.846 211 HB2 ASN 26 HB2 ASN 26 10.174 -3.651 16.574 212 HB3 ASN 26 HB3 ASN 26 8.514 -3.132 16.300 213 HD21 ASN 26 HD21 ASN 26 10.568 -5.613 17.605 214 HD22 ASN 26 HD22 ASN 26 9.349 -6.417 18.530 215 H GLY 27 H GLY 27 7.771 -3.605 13.060 216 HA2 GLY 27 HA2 GLY 27 5.402 -5.144 13.772 217 HA3 GLY 27 HA3 GLY 27 5.482 -3.840 12.593 218 H HIS 28 H HIS 28 4.074 -5.710 11.620 219 HA HIS 28 HA HIS 28 5.631 -7.859 10.428 220 HB2 HIS 28 HB2 HIS 28 2.708 -7.133 10.128 221 HB3 HIS 28 HB3 HIS 28 3.474 -8.565 9.449 222 HD1 HIS 28 HD1 HIS 28 3.791 -10.556 10.978 223 HD2 HIS 28 HD2 HIS 28 2.444 -7.171 12.975 224 HE1 HIS 28 HE1 HIS 28 3.167 -11.339 13.284 225 HE2 HIS 28 HE2 HIS 28 2.271 -9.290 14.445 226 H HIS 29 H HIS 29 6.411 -7.845 8.402 227 HA HIS 29 HA HIS 29 6.321 -5.415 6.885 228 HB2 HIS 29 HB2 HIS 29 7.533 -8.119 6.281 229 HB3 HIS 29 HB3 HIS 29 7.729 -6.699 5.261 230 HD1 HIS 29 HD1 HIS 29 9.912 -5.628 5.636 231 HD2 HIS 29 HD2 HIS 29 8.419 -7.319 9.124 232 HE1 HIS 29 HE1 HIS 29 11.643 -5.167 7.401 233 HE2 HIS 29 HE2 HIS 29 10.750 -6.260 9.488 234 H PHE 30 H PHE 30 3.766 -6.629 7.245 235 HA PHE 30 HA PHE 30 2.813 -6.610 4.568 236 HB2 PHE 30 HB2 PHE 30 1.878 -8.856 4.467 237 HB3 PHE 30 HB3 PHE 30 3.620 -8.950 4.663 238 HD1 PHE 30 HD1 PHE 30 0.381 -9.411 6.324 239 HD2 PHE 30 HD2 PHE 30 4.598 -9.903 6.631 240 HE1 PHE 30 HE1 PHE 30 0.063 -10.863 8.282 241 HE2 PHE 30 HE2 PHE 30 4.286 -11.358 8.592 242 HZ PHE 30 HZ PHE 30 2.014 -11.839 9.418 243 H LEU 31 H LEU 31 0.407 -7.183 4.531 244 HA LEU 31 HA LEU 31 -1.038 -7.102 7.035 245 HB2 LEU 31 HB2 LEU 31 -0.562 -4.740 5.357 246 HB3 LEU 31 HB3 LEU 31 -2.247 -5.025 5.736 247 HG LEU 31 HG LEU 31 -0.071 -4.801 7.810 248 HD11 LEU 31 HD11 LEU 31 -2.063 -2.741 6.877 249 HD12 LEU 31 HD12 LEU 31 -0.316 -2.689 6.636 250 HD13 LEU 31 HD13 LEU 31 -0.986 -2.574 8.263 251 HD21 LEU 31 HD21 LEU 31 -2.003 -6.104 8.524 252 HD22 LEU 31 HD22 LEU 31 -3.076 -4.790 8.043 253 HD23 LEU 31 HD23 LEU 31 -1.936 -4.558 9.368 254 H THR 32 H THR 32 -3.391 -7.294 6.664 255 HA THR 32 HA THR 32 -3.822 -9.035 4.345 256 HB THR 32 HB THR 32 -5.883 -9.753 5.423 257 HG1 THR 32 HG1 THR 32 -5.862 -8.855 7.813 258 HG21 THR 32 HG21 THR 32 -4.933 -10.858 7.401 259 HG22 THR 32 HG22 THR 32 -3.544 -9.775 7.337 260 HG23 THR 32 HG23 THR 32 -3.826 -10.925 6.030 261 H LYS 33 H LYS 33 -5.262 -8.465 2.740 262 HA LYS 33 HA LYS 33 -5.905 -6.043 2.073 263 HB2 LYS 33 HB2 LYS 33 -6.513 -8.304 0.936 264 HB3 LYS 33 HB3 LYS 33 -8.083 -8.070 1.683 265 HG2 LYS 33 HG2 LYS 33 -6.832 -5.973 -0.060 266 HG3 LYS 33 HG3 LYS 33 -7.804 -7.289 -0.719 267 HD2 LYS 33 HD2 LYS 33 -9.663 -6.580 0.780 268 HD3 LYS 33 HD3 LYS 33 -8.686 -5.194 1.265 269 HE2 LYS 33 HE2 LYS 33 -8.666 -4.358 -1.000 270 HE3 LYS 33 HE3 LYS 33 -9.500 -5.800 -1.576 271 HZ1 LYS 33 HZ1 LYS 33 -11.051 -4.004 -1.357 272 HZ2 LYS 33 HZ2 LYS 33 -10.601 -3.735 0.250 273 HZ3 LYS 33 HZ3 LYS 33 -11.401 -5.164 -0.174 274 H GLU 34 H GLU 34 -7.914 -7.898 4.320 275 HA GLU 34 HA GLU 34 -10.104 -6.075 4.409 276 HB2 GLU 34 HB2 GLU 34 -10.686 -7.245 6.501 277 HB3 GLU 34 HB3 GLU 34 -10.372 -8.361 5.180 278 HG2 GLU 34 HG2 GLU 34 -8.148 -8.802 6.066 279 HG3 GLU 34 HG3 GLU 34 -8.440 -7.664 7.380 280 H GLU 35 H GLU 35 -7.000 -6.303 6.027 281 HA GLU 35 HA GLU 35 -7.626 -4.365 8.060 282 HB2 GLU 35 HB2 GLU 35 -5.044 -5.620 7.135 283 HB3 GLU 35 HB3 GLU 35 -5.091 -4.371 8.372 284 HG2 GLU 35 HG2 GLU 35 -6.512 -5.782 9.759 285 HG3 GLU 35 HG3 GLU 35 -6.491 -7.032 8.516 286 H LEU 36 H LEU 36 -5.740 -4.315 5.047 287 HA LEU 36 HA LEU 36 -4.969 -1.790 4.971 288 HB2 LEU 36 HB2 LEU 36 -6.186 -3.075 2.540 289 HB3 LEU 36 HB3 LEU 36 -4.889 -1.897 2.594 290 HG LEU 36 HG LEU 36 -4.742 -4.747 3.538 291 HD11 LEU 36 HD11 LEU 36 -4.721 -4.592 1.131 292 HD12 LEU 36 HD12 LEU 36 -3.113 -5.010 1.722 293 HD13 LEU 36 HD13 LEU 36 -3.457 -3.362 1.198 294 HD21 LEU 36 HD21 LEU 36 -3.380 -3.358 4.963 295 HD22 LEU 36 HD22 LEU 36 -2.663 -2.569 3.558 296 HD23 LEU 36 HD23 LEU 36 -2.339 -4.274 3.873 297 H LEU 37 H LEU 37 -8.279 -2.820 4.446 298 HA LEU 37 HA LEU 37 -9.391 -0.578 3.279 299 HB2 LEU 37 HB2 LEU 37 -10.421 -2.617 5.200 300 HB3 LEU 37 HB3 LEU 37 -11.406 -1.207 4.878 301 HG LEU 37 HG LEU 37 -12.100 -3.057 3.477 302 HD11 LEU 37 HD11 LEU 37 -11.956 -1.982 1.291 303 HD12 LEU 37 HD12 LEU 37 -10.673 -0.930 1.888 304 HD13 LEU 37 HD13 LEU 37 -12.298 -0.809 2.563 305 HD21 LEU 37 HD21 LEU 37 -9.294 -3.014 2.377 306 HD22 LEU 37 HD22 LEU 37 -10.626 -4.012 1.795 307 HD23 LEU 37 HD23 LEU 37 -9.977 -4.266 3.414 308 H GLN 38 H GLN 38 -8.461 -1.076 6.629 309 HA GLN 38 HA GLN 38 -9.746 1.376 7.545 310 HB2 GLN 38 HB2 GLN 38 -7.891 -0.527 8.990 311 HB3 GLN 38 HB3 GLN 38 -8.728 0.836 9.720 312 HG2 GLN 38 HG2 GLN 38 -10.875 -0.217 9.216 313 HG3 GLN 38 HG3 GLN 38 -10.029 -1.588 8.500 314 HE21 GLN 38 HE21 GLN 38 -8.926 -3.025 9.834 315 HE22 GLN 38 HE22 GLN 38 -9.206 -3.096 11.536 316 H ARG 39 H ARG 39 -6.551 0.032 6.953 317 HA ARG 39 HA ARG 39 -4.929 2.096 7.613 318 HB2 ARG 39 HB2 ARG 39 -4.641 0.414 5.127 319 HB3 ARG 39 HB3 ARG 39 -3.347 1.232 5.993 320 HG2 ARG 39 HG2 ARG 39 -5.044 -0.903 7.226 321 HG3 ARG 39 HG3 ARG 39 -3.548 -1.243 6.360 322 HD2 ARG 39 HD2 ARG 39 -3.002 -1.139 8.668 323 HD3 ARG 39 HD3 ARG 39 -2.395 0.340 7.929 324 HE ARG 39 HE ARG 39 -4.987 0.776 8.953 325 HH11 ARG 39 HH11 ARG 39 -1.701 0.281 10.004 326 HH12 ARG 39 HH12 ARG 39 -1.901 1.177 11.472 327 HH21 ARG 39 HH21 ARG 39 -5.257 1.958 10.883 328 HH22 ARG 39 HH22 ARG 39 -3.921 2.131 11.972 329 H CYS 40 H CYS 40 -6.620 1.683 4.539 330 HA CYS 40 HA CYS 40 -5.559 3.872 3.158 331 HB2 CYS 40 HB2 CYS 40 -6.885 2.157 2.039 332 HB3 CYS 40 HB3 CYS 40 -8.313 2.639 2.947 333 HG CYS 40 HG CYS 40 -8.540 5.137 1.740 334 H ALA 41 H ALA 41 -8.217 3.670 5.464 335 HA ALA 41 HA ALA 41 -9.160 6.271 5.162 336 HB1 ALA 41 HB1 ALA 41 -9.195 4.584 7.663 337 HB2 ALA 41 HB2 ALA 41 -10.381 4.520 6.360 338 HB3 ALA 41 HB3 ALA 41 -10.221 5.980 7.335 339 H GLN 42 H GLN 42 -6.088 5.759 5.777 340 HA GLN 42 HA GLN 42 -5.860 7.669 7.973 341 HB2 GLN 42 HB2 GLN 42 -4.873 5.526 8.682 342 HB3 GLN 42 HB3 GLN 42 -3.864 5.512 7.242 343 HG2 GLN 42 HG2 GLN 42 -2.611 6.222 9.197 344 HG3 GLN 42 HG3 GLN 42 -2.718 7.514 8.004 345 HE21 GLN 42 HE21 GLN 42 -3.735 6.404 11.132 346 HE22 GLN 42 HE22 GLN 42 -4.370 7.912 11.687 347 H LYS 43 H LYS 43 -5.127 6.603 4.795 348 HA LYS 43 HA LYS 43 -2.980 8.107 3.975 349 HB2 LYS 43 HB2 LYS 43 -4.376 6.436 2.655 350 HB3 LYS 43 HB3 LYS 43 -5.469 7.772 2.317 351 HG2 LYS 43 HG2 LYS 43 -4.166 7.917 0.475 352 HG3 LYS 43 HG3 LYS 43 -3.207 8.928 1.556 353 HD2 LYS 43 HD2 LYS 43 -2.754 5.993 1.040 354 HD3 LYS 43 HD3 LYS 43 -1.827 7.307 0.325 355 HE2 LYS 43 HE2 LYS 43 -0.463 6.710 2.072 356 HE3 LYS 43 HE3 LYS 43 -1.432 7.973 2.829 357 HZ1 LYS 43 HZ1 LYS 43 -2.873 6.220 3.733 358 HZ2 LYS 43 HZ2 LYS 43 -1.279 6.075 4.274 359 HZ3 LYS 43 HZ3 LYS 43 -1.857 5.043 3.067 360 H SER 44 H SER 44 -6.310 9.114 4.439 361 HA SER 44 HA SER 44 -5.494 11.881 4.530 362 HB2 SER 44 HB2 SER 44 -5.885 11.588 2.133 363 HB3 SER 44 HB3 SER 44 -7.484 10.919 2.459 364 HG SER 44 HG SER 44 -7.166 13.312 1.927 365 HA PRO 45 HA PRO 45 -8.431 11.657 7.893 366 HB2 PRO 45 HB2 PRO 45 -8.692 14.556 7.211 367 HB3 PRO 45 HB3 PRO 45 -8.462 13.788 8.787 368 HG2 PRO 45 HG2 PRO 45 -6.426 14.977 7.556 369 HG3 PRO 45 HG3 PRO 45 -6.191 13.463 8.447 370 HD2 PRO 45 HD2 PRO 45 -6.291 13.939 5.510 371 HD3 PRO 45 HD3 PRO 45 -5.363 12.738 6.430 372 H ARG 46 H ARG 46 -9.400 14.036 5.408 373 HA ARG 46 HA ARG 46 -12.000 12.692 5.283 374 HB2 ARG 46 HB2 ARG 46 -11.911 15.085 5.988 375 HB3 ARG 46 HB3 ARG 46 -11.270 15.490 4.402 376 HG2 ARG 46 HG2 ARG 46 -13.565 14.029 3.862 377 HG3 ARG 46 HG3 ARG 46 -13.999 15.049 5.235 378 HD2 ARG 46 HD2 ARG 46 -14.500 16.255 3.232 379 HD3 ARG 46 HD3 ARG 46 -13.089 17.002 3.980 380 HE ARG 46 HE ARG 46 -12.310 15.055 2.073 381 HH11 ARG 46 HH11 ARG 46 -13.569 18.292 2.348 382 HH12 ARG 46 HH12 ARG 46 -12.914 18.812 0.831 383 HH21 ARG 46 HH21 ARG 46 -11.446 15.731 0.075 384 HH22 ARG 46 HH22 ARG 46 -11.709 17.357 -0.461 385 H VAL 47 H VAL 47 -11.812 11.172 3.699 386 HA VAL 47 HA VAL 47 -10.568 11.864 1.157 387 HB VAL 47 HB VAL 47 -11.021 9.522 0.522 388 HG11 VAL 47 HG11 VAL 47 -9.667 9.848 3.200 389 HG12 VAL 47 HG12 VAL 47 -8.921 10.070 1.617 390 HG13 VAL 47 HG13 VAL 47 -9.472 8.471 2.115 391 HG21 VAL 47 HG21 VAL 47 -11.878 7.949 2.200 392 HG22 VAL 47 HG22 VAL 47 -13.076 9.174 1.782 393 HG23 VAL 47 HG23 VAL 47 -12.183 9.295 3.298 394 H ALA 48 H ALA 48 -11.843 11.047 -0.849 395 HA ALA 48 HA ALA 48 -14.020 12.705 -1.257 396 HB1 ALA 48 HB1 ALA 48 -13.370 10.136 -2.695 397 HB2 ALA 48 HB2 ALA 48 -12.739 11.736 -3.082 398 HB3 ALA 48 HB3 ALA 48 -14.457 11.394 -3.280 399 HA PRO 49 HA PRO 49 -17.327 10.821 1.048 400 HB2 PRO 49 HB2 PRO 49 -19.032 12.038 -1.060 401 HB3 PRO 49 HB3 PRO 49 -19.120 12.206 0.697 402 HG2 PRO 49 HG2 PRO 49 -18.175 14.186 -0.808 403 HG3 PRO 49 HG3 PRO 49 -17.441 13.805 0.761 404 HD2 PRO 49 HD2 PRO 49 -16.473 13.159 -1.994 405 HD3 PRO 49 HD3 PRO 49 -15.549 13.652 -0.560 406 H GLY 50 H GLY 50 -17.843 8.737 0.921 407 HA2 GLY 50 HA2 GLY 50 -18.586 6.725 0.114 408 HA3 GLY 50 HA3 GLY 50 -19.545 7.643 -1.037 409 H SER 51 H SER 51 -16.022 7.508 -0.676 410 HA SER 51 HA SER 51 -15.834 6.759 -3.497 411 HB2 SER 51 HB2 SER 51 -13.483 7.443 -3.323 412 HB3 SER 51 HB3 SER 51 -14.552 8.722 -2.748 413 HG SER 51 HG SER 51 -13.186 8.623 -1.117 414 H ALA 52 H ALA 52 -15.310 4.775 -4.119 415 HA ALA 52 HA ALA 52 -13.698 3.081 -2.359 416 HB1 ALA 52 HB1 ALA 52 -16.036 2.543 -1.864 417 HB2 ALA 52 HB2 ALA 52 -15.205 1.190 -2.630 418 HB3 ALA 52 HB3 ALA 52 -16.313 2.189 -3.569 419 HA PRO 53 HA PRO 53 -12.295 3.022 -6.803 420 HB2 PRO 53 HB2 PRO 53 -9.682 2.778 -5.444 421 HB3 PRO 53 HB3 PRO 53 -10.178 3.874 -6.736 422 HG2 PRO 53 HG2 PRO 53 -9.794 4.750 -4.234 423 HG3 PRO 53 HG3 PRO 53 -11.073 5.417 -5.266 424 HD2 PRO 53 HD2 PRO 53 -11.279 3.439 -3.029 425 HD3 PRO 53 HD3 PRO 53 -12.364 4.782 -3.454 426 HA PRO 54 HA PRO 54 -11.921 -1.373 -7.053 427 HB2 PRO 54 HB2 PRO 54 -9.833 -0.982 -9.117 428 HB3 PRO 54 HB3 PRO 54 -11.381 -1.825 -9.227 429 HG2 PRO 54 HG2 PRO 54 -11.009 0.547 -10.402 430 HG3 PRO 54 HG3 PRO 54 -12.561 0.114 -9.661 431 HD2 PRO 54 HD2 PRO 54 -10.391 1.893 -8.624 432 HD3 PRO 54 HD3 PRO 54 -12.154 2.079 -8.514 433 H TRP 55 H TRP 55 -10.935 -2.042 -5.178 434 HA TRP 55 HA TRP 55 -8.091 -1.732 -4.868 435 HB2 TRP 55 HB2 TRP 55 -10.332 -2.362 -3.129 436 HB3 TRP 55 HB3 TRP 55 -8.921 -3.370 -2.800 437 HD1 TRP 55 HD1 TRP 55 -9.593 0.407 -3.383 438 HE1 TRP 55 HE1 TRP 55 -8.068 1.741 -1.796 439 HE3 TRP 55 HE3 TRP 55 -7.157 -3.489 -1.127 440 HZ2 TRP 55 HZ2 TRP 55 -6.086 1.203 0.144 441 HZ3 TRP 55 HZ3 TRP 55 -5.482 -2.984 0.568 442 HH2 TRP 55 HH2 TRP 55 -4.958 -0.692 1.206 443 HA PRO 56 HA PRO 56 -8.642 -6.677 -5.303 444 HB2 PRO 56 HB2 PRO 56 -10.153 -6.315 -7.857 445 HB3 PRO 56 HB3 PRO 56 -10.233 -7.632 -6.680 446 HG2 PRO 56 HG2 PRO 56 -12.145 -5.786 -6.772 447 HG3 PRO 56 HG3 PRO 56 -11.569 -6.421 -5.219 448 HD2 PRO 56 HD2 PRO 56 -11.028 -3.791 -6.509 449 HD3 PRO 56 HD3 PRO 56 -11.185 -4.195 -4.788 450 H ALA 57 H ALA 57 -8.089 -4.002 -7.393 451 HA ALA 57 HA ALA 57 -6.626 -5.088 -9.457 452 HB1 ALA 57 HB1 ALA 57 -6.111 -2.462 -8.071 453 HB2 ALA 57 HB2 ALA 57 -7.296 -2.739 -9.348 454 HB3 ALA 57 HB3 ALA 57 -5.575 -2.906 -9.691 455 H LEU 58 H LEU 58 -5.651 -4.530 -6.141 456 HA LEU 58 HA LEU 58 -2.953 -4.643 -6.270 457 HB2 LEU 58 HB2 LEU 58 -3.013 -5.831 -4.057 458 HB3 LEU 58 HB3 LEU 58 -3.944 -4.351 -4.157 459 HG LEU 58 HG LEU 58 -5.945 -5.955 -4.654 460 HD11 LEU 58 HD11 LEU 58 -3.966 -7.787 -3.318 461 HD12 LEU 58 HD12 LEU 58 -4.742 -8.013 -4.883 462 HD13 LEU 58 HD13 LEU 58 -5.698 -8.093 -3.406 463 HD21 LEU 58 HD21 LEU 58 -4.702 -5.679 -1.922 464 HD22 LEU 58 HD22 LEU 58 -6.381 -6.113 -2.244 465 HD23 LEU 58 HD23 LEU 58 -5.777 -4.521 -2.705 466 H ARG 59 H ARG 59 -5.122 -7.441 -6.511 467 HA ARG 59 HA ARG 59 -3.306 -9.421 -6.628 468 HB2 ARG 59 HB2 ARG 59 -5.725 -9.178 -8.430 469 HB3 ARG 59 HB3 ARG 59 -4.871 -10.672 -8.070 470 HG2 ARG 59 HG2 ARG 59 -5.486 -10.464 -5.718 471 HG3 ARG 59 HG3 ARG 59 -6.334 -8.957 -6.073 472 HD2 ARG 59 HD2 ARG 59 -7.845 -10.160 -7.572 473 HD3 ARG 59 HD3 ARG 59 -6.993 -11.665 -7.228 474 HE ARG 59 HE ARG 59 -7.846 -10.577 -4.802 475 HH11 ARG 59 HH11 ARG 59 -9.209 -11.943 -7.704 476 HH12 ARG 59 HH12 ARG 59 -10.623 -12.547 -6.908 477 HH21 ARG 59 HH21 ARG 59 -9.706 -11.368 -3.747 478 HH22 ARG 59 HH22 ARG 59 -10.906 -12.220 -4.660 479 H SER 60 H SER 60 -4.440 -7.620 -9.476 480 HA SER 60 HA SER 60 -2.658 -8.588 -11.286 481 HB2 SER 60 HB2 SER 60 -3.722 -5.753 -11.145 482 HB3 SER 60 HB3 SER 60 -3.013 -6.504 -12.575 483 HG SER 60 HG SER 60 -5.470 -7.010 -11.323 484 H LEU 61 H LEU 61 -2.067 -6.301 -8.742 485 HA LEU 61 HA LEU 61 0.331 -5.177 -9.814 486 HB2 LEU 61 HB2 LEU 61 -1.036 -5.120 -7.170 487 HB3 LEU 61 HB3 LEU 61 0.670 -4.702 -7.234 488 HG LEU 61 HG LEU 61 -0.223 -3.156 -9.236 489 HD11 LEU 61 HD11 LEU 61 -2.520 -3.247 -7.293 490 HD12 LEU 61 HD12 LEU 61 -2.549 -3.881 -8.937 491 HD13 LEU 61 HD13 LEU 61 -2.341 -2.152 -8.663 492 HD21 LEU 61 HD21 LEU 61 -0.261 -1.318 -7.604 493 HD22 LEU 61 HD22 LEU 61 1.115 -2.401 -7.388 494 HD23 LEU 61 HD23 LEU 61 -0.269 -2.506 -6.300 495 H LEU 62 H LEU 62 -0.433 -8.002 -7.870 496 HA LEU 62 HA LEU 62 2.117 -8.627 -6.882 497 HB2 LEU 62 HB2 LEU 62 0.032 -10.542 -7.913 498 HB3 LEU 62 HB3 LEU 62 1.337 -10.938 -6.819 499 HG LEU 62 HG LEU 62 -0.695 -8.900 -5.993 500 HD11 LEU 62 HD11 LEU 62 -2.073 -10.680 -5.043 501 HD12 LEU 62 HD12 LEU 62 -1.038 -11.891 -5.800 502 HD13 LEU 62 HD13 LEU 62 -1.998 -10.801 -6.800 503 HD21 LEU 62 HD21 LEU 62 -0.150 -9.697 -3.775 504 HD22 LEU 62 HD22 LEU 62 1.339 -9.305 -4.635 505 HD23 LEU 62 HD23 LEU 62 0.846 -10.986 -4.449 506 H HIS 63 H HIS 63 0.517 -9.222 -9.935 507 HA HIS 63 HA HIS 63 2.428 -10.813 -11.181 508 HB2 HIS 63 HB2 HIS 63 0.136 -10.429 -12.022 509 HB3 HIS 63 HB3 HIS 63 0.578 -8.780 -12.443 510 HD1 HIS 63 HD1 HIS 63 0.784 -12.272 -13.642 511 HD2 HIS 63 HD2 HIS 63 2.356 -8.565 -14.670 512 HE1 HIS 63 HE1 HIS 63 1.728 -12.560 -15.953 513 HE2 HIS 63 HE2 HIS 63 2.750 -10.328 -16.521 514 H ARG 64 H ARG 64 2.036 -7.259 -11.272 515 HA ARG 64 HA ARG 64 4.256 -6.741 -12.854 516 HB2 ARG 64 HB2 ARG 64 3.044 -5.020 -10.686 517 HB3 ARG 64 HB3 ARG 64 4.139 -4.453 -11.939 518 HG2 ARG 64 HG2 ARG 64 1.427 -5.663 -12.434 519 HG3 ARG 64 HG3 ARG 64 1.783 -3.935 -12.413 520 HD2 ARG 64 HD2 ARG 64 3.340 -4.235 -14.276 521 HD3 ARG 64 HD3 ARG 64 2.990 -5.963 -14.294 522 HE ARG 64 HE ARG 64 0.580 -4.563 -14.564 523 HH11 ARG 64 HH11 ARG 64 3.515 -5.172 -16.342 524 HH12 ARG 64 HH12 ARG 64 2.761 -5.011 -17.892 525 HH21 ARG 64 HH21 ARG 64 -0.420 -4.348 -16.603 526 HH22 ARG 64 HH22 ARG 64 0.526 -4.542 -18.041 527 H ASN 65 H ASN 65 4.015 -7.159 -9.364 528 HA ASN 65 HA ASN 65 5.659 -8.406 -8.154 529 HB2 ASN 65 HB2 ASN 65 7.667 -7.109 -10.006 530 HB3 ASN 65 HB3 ASN 65 8.031 -8.205 -8.680 531 HD21 ASN 65 HD21 ASN 65 5.682 -9.868 -9.247 532 HD22 ASN 65 HD22 ASN 65 6.096 -10.800 -10.642 533 H LEU 66 H LEU 66 4.228 -6.067 -7.775 534 HA LEU 66 HA LEU 66 6.155 -4.335 -6.388 535 HB2 LEU 66 HB2 LEU 66 3.353 -3.858 -7.367 536 HB3 LEU 66 HB3 LEU 66 4.177 -2.752 -6.289 537 HG LEU 66 HG LEU 66 5.934 -2.446 -7.988 538 HD11 LEU 66 HD11 LEU 66 5.911 -4.423 -9.224 539 HD12 LEU 66 HD12 LEU 66 5.370 -3.154 -10.324 540 HD13 LEU 66 HD13 LEU 66 4.198 -4.254 -9.600 541 HD21 LEU 66 HD21 LEU 66 4.082 -0.871 -7.847 542 HD22 LEU 66 HD22 LEU 66 3.142 -1.874 -8.953 543 HD23 LEU 66 HD23 LEU 66 4.610 -1.076 -9.518 544 H VAL 67 H VAL 67 3.604 -6.552 -6.047 545 HA VAL 67 HA VAL 67 3.651 -6.217 -3.132 546 HB VAL 67 HB VAL 67 1.240 -6.972 -3.105 547 HG11 VAL 67 HG11 VAL 67 1.956 -4.617 -2.749 548 HG12 VAL 67 HG12 VAL 67 0.342 -4.770 -3.445 549 HG13 VAL 67 HG13 VAL 67 1.707 -4.329 -4.472 550 HG21 VAL 67 HG21 VAL 67 1.250 -6.115 -5.984 551 HG22 VAL 67 HG22 VAL 67 -0.096 -6.779 -5.055 552 HG23 VAL 67 HG23 VAL 67 1.287 -7.796 -5.458 553 H LEU 68 H LEU 68 3.113 -8.223 -1.989 554 HA LEU 68 HA LEU 68 3.529 -10.643 -3.621 555 HB2 LEU 68 HB2 LEU 68 5.445 -9.620 -2.113 556 HB3 LEU 68 HB3 LEU 68 4.562 -10.423 -0.834 557 HG LEU 68 HG LEU 68 5.648 -11.820 -3.280 558 HD11 LEU 68 HD11 LEU 68 6.736 -11.712 -0.469 559 HD12 LEU 68 HD12 LEU 68 7.457 -10.960 -1.894 560 HD13 LEU 68 HD13 LEU 68 7.355 -12.717 -1.780 561 HD21 LEU 68 HD21 LEU 68 3.719 -12.938 -2.305 562 HD22 LEU 68 HD22 LEU 68 4.476 -12.888 -0.713 563 HD23 LEU 68 HD23 LEU 68 5.191 -13.858 -2.001 564 H ARG 69 H ARG 69 2.036 -12.226 -3.289 565 HA ARG 69 HA ARG 69 0.017 -11.754 -1.215 566 HB2 ARG 69 HB2 ARG 69 -1.187 -13.650 -2.417 567 HB3 ARG 69 HB3 ARG 69 -1.076 -12.112 -3.265 568 HG2 ARG 69 HG2 ARG 69 0.519 -12.915 -4.760 569 HG3 ARG 69 HG3 ARG 69 0.921 -14.294 -3.733 570 HD2 ARG 69 HD2 ARG 69 -1.266 -15.269 -4.166 571 HD3 ARG 69 HD3 ARG 69 -1.709 -13.875 -5.151 572 HE ARG 69 HE ARG 69 0.645 -15.007 -6.179 573 HH11 ARG 69 HH11 ARG 69 -2.749 -15.722 -5.859 574 HH12 ARG 69 HH12 ARG 69 -2.804 -16.721 -7.273 575 HH21 ARG 69 HH21 ARG 69 0.583 -16.320 -8.042 576 HH22 ARG 69 HH22 ARG 69 -0.910 -17.061 -8.514 577 H THR 70 H THR 70 -0.495 -13.367 0.287 578 HA THR 70 HA THR 70 1.397 -15.607 0.399 579 HB THR 70 HB THR 70 0.286 -14.297 2.864 580 HG1 THR 70 HG1 THR 70 2.439 -13.486 1.205 581 HG21 THR 70 HG21 THR 70 2.471 -16.198 2.192 582 HG22 THR 70 HG22 THR 70 1.394 -16.165 3.591 583 HG23 THR 70 HG23 THR 70 2.759 -15.054 3.501 584 H HIS 71 H HIS 71 0.557 -17.037 2.420 585 HA HIS 71 HA HIS 71 -1.054 -18.948 1.625 586 HB2 HIS 71 HB2 HIS 71 -0.223 -17.859 4.137 587 HB3 HIS 71 HB3 HIS 71 -1.829 -18.545 4.285 588 HD1 HIS 71 HD1 HIS 71 -1.964 -21.151 3.366 589 HD2 HIS 71 HD2 HIS 71 1.781 -19.630 4.329 590 HE1 HIS 71 HE1 HIS 71 -0.479 -23.161 3.655 591 HE2 HIS 71 HE2 HIS 71 1.764 -22.220 4.316 592 H GLN 72 H GLN 72 -2.668 -16.703 3.923 593 HA GLN 72 HA GLN 72 -4.798 -15.980 2.115 594 HB2 GLN 72 HB2 GLN 72 -5.279 -18.333 2.449 595 HB3 GLN 72 HB3 GLN 72 -5.111 -18.157 4.188 596 HG2 GLN 72 HG2 GLN 72 -7.081 -16.707 4.227 597 HG3 GLN 72 HG3 GLN 72 -7.250 -16.901 2.483 598 HE21 GLN 72 HE21 GLN 72 -7.935 -18.880 1.652 599 HE22 GLN 72 HE22 GLN 72 -8.703 -20.072 2.640 600 HA PRO 73 HA PRO 73 -7.015 -15.062 2.346 601 HB2 PRO 73 HB2 PRO 73 -6.804 -12.112 2.375 602 HB3 PRO 73 HB3 PRO 73 -8.246 -13.130 2.321 603 HG2 PRO 73 HG2 PRO 73 -7.577 -11.797 4.538 604 HG3 PRO 73 HG3 PRO 73 -8.294 -13.418 4.614 605 HD2 PRO 73 HD2 PRO 73 -5.439 -12.587 4.957 606 HD3 PRO 73 HD3 PRO 73 -6.373 -13.808 5.847 607 H ALA 74 H ALA 74 -4.106 -13.504 2.960 608 HA ALA 74 HA ALA 74 -2.363 -14.302 1.247 609 HB1 ALA 74 HB1 ALA 74 -4.045 -12.378 -0.366 610 HB2 ALA 74 HB2 ALA 74 -3.784 -14.090 -0.700 611 HB3 ALA 74 HB3 ALA 74 -2.444 -12.952 -0.833 612 H ARG 75 H ARG 75 -1.085 -13.422 2.857 613 HA ARG 75 HA ARG 75 -1.179 -10.718 3.686 614 HB2 ARG 75 HB2 ARG 75 1.252 -12.517 3.679 615 HB3 ARG 75 HB3 ARG 75 0.969 -11.127 4.710 616 HG2 ARG 75 HG2 ARG 75 -0.564 -12.245 6.028 617 HG3 ARG 75 HG3 ARG 75 -0.911 -13.447 4.783 618 HD2 ARG 75 HD2 ARG 75 1.153 -14.558 5.151 619 HD3 ARG 75 HD3 ARG 75 1.768 -13.231 6.141 620 HE ARG 75 HE ARG 75 -0.548 -14.243 7.344 621 HH11 ARG 75 HH11 ARG 75 2.727 -15.210 6.652 622 HH12 ARG 75 HH12 ARG 75 2.835 -16.279 8.012 623 HH21 ARG 75 HH21 ARG 75 -0.414 -15.648 9.136 624 HH22 ARG 75 HH22 ARG 75 1.051 -16.528 9.422 625 H TYR 76 H TYR 76 -0.674 -8.944 2.518 626 HA TYR 76 HA TYR 76 1.010 -9.253 0.224 627 HB2 TYR 76 HB2 TYR 76 -0.638 -6.917 1.178 628 HB3 TYR 76 HB3 TYR 76 0.244 -6.962 -0.346 629 HD1 TYR 76 HD1 TYR 76 -0.312 -8.946 -1.931 630 HD2 TYR 76 HD2 TYR 76 -2.843 -7.673 1.243 631 HE1 TYR 76 HE1 TYR 76 -2.216 -10.065 -3.013 632 HE2 TYR 76 HE2 TYR 76 -4.755 -8.788 0.172 633 HH TYR 76 HH TYR 76 -5.430 -9.535 -2.075 634 H SER 77 H SER 77 2.825 -8.103 -0.289 635 HA SER 77 HA SER 77 4.089 -6.480 1.715 636 HB2 SER 77 HB2 SER 77 5.419 -9.047 0.822 637 HB3 SER 77 HB3 SER 77 6.164 -7.799 1.819 638 HG SER 77 HG SER 77 4.173 -9.653 2.467 639 H LEU 78 H LEU 78 5.400 -4.989 0.821 640 HA LEU 78 HA LEU 78 5.285 -4.557 -1.979 641 HB2 LEU 78 HB2 LEU 78 6.912 -3.323 0.223 642 HB3 LEU 78 HB3 LEU 78 7.088 -2.830 -1.444 643 HG LEU 78 HG LEU 78 4.741 -2.442 0.383 644 HD11 LEU 78 HD11 LEU 78 6.566 -0.790 0.338 645 HD12 LEU 78 HD12 LEU 78 5.038 -0.130 -0.237 646 HD13 LEU 78 HD13 LEU 78 6.297 -0.569 -1.390 647 HD21 LEU 78 HD21 LEU 78 4.763 -2.129 -2.617 648 HD22 LEU 78 HD22 LEU 78 3.484 -1.582 -1.535 649 HD23 LEU 78 HD23 LEU 78 3.819 -3.304 -1.701 650 H THR 79 H THR 79 6.425 -5.641 -3.491 651 HA THR 79 HA THR 79 8.915 -6.866 -2.844 652 HB THR 79 HB THR 79 8.546 -6.856 -5.646 653 HG1 THR 79 HG1 THR 79 6.463 -6.230 -5.578 654 HG21 THR 79 HG21 THR 79 9.354 -8.743 -4.299 655 HG22 THR 79 HG22 THR 79 8.000 -9.222 -5.322 656 HG23 THR 79 HG23 THR 79 7.745 -8.930 -3.601 657 HA PRO 80 HA PRO 80 12.118 -4.108 -4.283 658 HB2 PRO 80 HB2 PRO 80 12.035 -5.365 -7.005 659 HB3 PRO 80 HB3 PRO 80 13.429 -4.908 -6.026 660 HG2 PRO 80 HG2 PRO 80 12.663 -7.442 -6.140 661 HG3 PRO 80 HG3 PRO 80 13.197 -6.737 -4.603 662 HD2 PRO 80 HD2 PRO 80 10.459 -7.443 -5.512 663 HD3 PRO 80 HD3 PRO 80 11.134 -7.420 -3.871 664 H GLU 81 H GLU 81 9.748 -4.683 -6.871 665 HA GLU 81 HA GLU 81 10.035 -2.087 -7.997 666 HB2 GLU 81 HB2 GLU 81 7.782 -4.082 -8.296 667 HB3 GLU 81 HB3 GLU 81 8.023 -2.662 -9.299 668 HG2 GLU 81 HG2 GLU 81 9.908 -4.996 -9.074 669 HG3 GLU 81 HG3 GLU 81 8.793 -4.689 -10.405 670 H GLY 82 H GLY 82 7.572 -3.515 -5.837 671 HA2 GLY 82 HA2 GLY 82 5.903 -1.183 -5.794 672 HA3 GLY 82 HA3 GLY 82 5.857 -2.509 -4.650 673 H LEU 83 H LEU 83 8.829 -2.126 -4.240 674 HA LEU 83 HA LEU 83 8.566 -0.448 -1.927 675 HB2 LEU 83 HB2 LEU 83 10.309 -2.459 -2.747 676 HB3 LEU 83 HB3 LEU 83 11.288 -1.009 -2.783 677 HG LEU 83 HG LEU 83 11.547 -2.097 -0.644 678 HD11 LEU 83 HD11 LEU 83 11.593 0.328 -0.615 679 HD12 LEU 83 HD12 LEU 83 10.863 -0.295 0.866 680 HD13 LEU 83 HD13 LEU 83 9.842 0.375 -0.405 681 HD21 LEU 83 HD21 LEU 83 9.431 -3.327 -0.639 682 HD22 LEU 83 HD22 LEU 83 8.563 -1.820 -0.344 683 HD23 LEU 83 HD23 LEU 83 9.681 -2.447 0.867 684 H GLU 84 H GLU 84 10.560 -0.282 -4.878 685 HA GLU 84 HA GLU 84 11.342 2.294 -4.639 686 HB2 GLU 84 HB2 GLU 84 10.671 0.889 -7.232 687 HB3 GLU 84 HB3 GLU 84 11.668 2.331 -7.088 688 HG2 GLU 84 HG2 GLU 84 13.300 1.084 -5.789 689 HG3 GLU 84 HG3 GLU 84 12.291 -0.352 -5.895 690 H LEU 85 H LEU 85 8.398 1.156 -6.227 691 HA LEU 85 HA LEU 85 7.597 3.694 -7.249 692 HB2 LEU 85 HB2 LEU 85 6.826 1.401 -8.011 693 HB3 LEU 85 HB3 LEU 85 5.836 1.349 -6.566 694 HG LEU 85 HG LEU 85 5.526 3.683 -8.399 695 HD11 LEU 85 HD11 LEU 85 4.281 0.980 -8.886 696 HD12 LEU 85 HD12 LEU 85 5.523 1.731 -9.887 697 HD13 LEU 85 HD13 LEU 85 3.926 2.469 -9.763 698 HD21 LEU 85 HD21 LEU 85 3.226 3.549 -7.620 699 HD22 LEU 85 HD22 LEU 85 4.341 3.587 -6.254 700 HD23 LEU 85 HD23 LEU 85 3.595 2.067 -6.741 701 H ALA 86 H ALA 86 7.014 1.887 -4.266 702 HA ALA 86 HA ALA 86 5.002 3.604 -3.235 703 HB1 ALA 86 HB1 ALA 86 6.899 1.817 -1.720 704 HB2 ALA 86 HB2 ALA 86 5.339 1.337 -2.388 705 HB3 ALA 86 HB3 ALA 86 5.414 2.530 -1.091 706 H GLN 87 H GLN 87 8.536 3.673 -3.003 707 HA GLN 87 HA GLN 87 8.720 5.575 -0.897 708 HB2 GLN 87 HB2 GLN 87 10.582 4.929 -3.192 709 HB3 GLN 87 HB3 GLN 87 10.976 6.071 -1.914 710 HG2 GLN 87 HG2 GLN 87 10.802 4.299 -0.258 711 HG3 GLN 87 HG3 GLN 87 10.372 3.150 -1.522 712 HE21 GLN 87 HE21 GLN 87 11.948 2.456 -2.968 713 HE22 GLN 87 HE22 GLN 87 13.635 2.670 -2.660 714 H LYS 88 H LYS 88 8.522 5.824 -4.405 715 HA LYS 88 HA LYS 88 8.554 8.534 -4.627 716 HB2 LYS 88 HB2 LYS 88 6.840 6.757 -6.356 717 HB3 LYS 88 HB3 LYS 88 7.670 8.237 -6.811 718 HG2 LYS 88 HG2 LYS 88 9.821 7.139 -6.568 719 HG3 LYS 88 HG3 LYS 88 9.025 5.671 -6.023 720 HD2 LYS 88 HD2 LYS 88 7.833 5.608 -8.231 721 HD3 LYS 88 HD3 LYS 88 8.886 6.924 -8.755 722 HE2 LYS 88 HE2 LYS 88 10.849 5.514 -8.302 723 HE3 LYS 88 HE3 LYS 88 9.785 4.196 -7.812 724 HZ1 LYS 88 HZ1 LYS 88 10.527 3.924 -10.089 725 HZ2 LYS 88 HZ2 LYS 88 9.886 5.430 -10.513 726 HZ3 LYS 88 HZ3 LYS 88 8.853 4.174 -10.047 727 H LEU 89 H LEU 89 5.714 6.466 -4.136 728 HA LEU 89 HA LEU 89 3.762 8.518 -4.408 729 HB2 LEU 89 HB2 LEU 89 3.830 5.730 -3.330 730 HB3 LEU 89 HB3 LEU 89 2.436 6.749 -3.031 731 HG LEU 89 HG LEU 89 1.940 6.902 -5.347 732 HD11 LEU 89 HD11 LEU 89 3.298 5.936 -7.099 733 HD12 LEU 89 HD12 LEU 89 4.492 5.429 -5.909 734 HD13 LEU 89 HD13 LEU 89 4.214 7.143 -6.199 735 HD21 LEU 89 HD21 LEU 89 1.593 4.556 -5.950 736 HD22 LEU 89 HD22 LEU 89 1.202 4.856 -4.257 737 HD23 LEU 89 HD23 LEU 89 2.723 4.072 -4.685 738 H ALA 90 H ALA 90 5.811 7.311 -1.904 739 HA ALA 90 HA ALA 90 4.492 8.485 0.281 740 HB1 ALA 90 HB1 ALA 90 6.110 6.653 0.478 741 HB2 ALA 90 HB2 ALA 90 6.513 8.006 1.535 742 HB3 ALA 90 HB3 ALA 90 7.408 7.760 0.034 743 H GLU 91 H GLU 91 6.887 9.714 -1.931 744 HA GLU 91 HA GLU 91 7.814 11.933 -0.574 745 HB2 GLU 91 HB2 GLU 91 7.147 12.026 -3.508 746 HB3 GLU 91 HB3 GLU 91 8.449 12.855 -2.664 747 HG2 GLU 91 HG2 GLU 91 9.567 10.744 -2.269 748 HG3 GLU 91 HG3 GLU 91 8.234 9.890 -3.046 749 H SER 92 H SER 92 4.981 11.705 -2.672 750 HA SER 92 HA SER 92 4.008 14.222 -2.413 751 HB2 SER 92 HB2 SER 92 3.119 12.534 -3.951 752 HB3 SER 92 HB3 SER 92 2.396 11.672 -2.596 753 HG SER 92 HG SER 92 1.529 13.915 -3.910 754 H GLU 93 H GLU 93 3.921 11.741 0.028 755 HA GLU 93 HA GLU 93 1.855 13.165 1.557 756 HB2 GLU 93 HB2 GLU 93 3.169 10.537 2.238 757 HB3 GLU 93 HB3 GLU 93 1.721 11.228 2.948 758 HG2 GLU 93 HG2 GLU 93 1.926 10.389 0.075 759 HG3 GLU 93 HG3 GLU 93 1.340 9.345 1.369 760 H GLY 94 H GLY 94 5.135 13.069 1.078 761 HA2 GLY 94 HA2 GLY 94 6.716 14.410 2.204 762 HA3 GLY 94 HA3 GLY 94 5.578 14.597 3.535 763 H LEU 95 H LEU 95 5.456 11.476 2.599 764 HA LEU 95 HA LEU 95 6.179 9.501 3.420 765 HB2 LEU 95 HB2 LEU 95 8.467 10.914 2.778 766 HB3 LEU 95 HB3 LEU 95 8.771 10.373 4.419 767 HG LEU 95 HG LEU 95 8.331 8.724 1.950 768 HD11 LEU 95 HD11 LEU 95 10.392 7.647 2.686 769 HD12 LEU 95 HD12 LEU 95 10.438 8.698 4.102 770 HD13 LEU 95 HD13 LEU 95 10.607 9.385 2.487 771 HD21 LEU 95 HD21 LEU 95 6.832 7.756 3.572 772 HD22 LEU 95 HD22 LEU 95 8.094 7.785 4.806 773 HD23 LEU 95 HD23 LEU 95 8.256 6.726 3.406 774 H SER 96 H SER 96 4.839 11.426 5.129 775 HA SER 96 HA SER 96 6.040 10.929 7.766 776 HB2 SER 96 HB2 SER 96 3.842 12.838 6.927 777 HB3 SER 96 HB3 SER 96 4.412 12.624 8.583 778 HG SER 96 HG SER 96 5.496 14.358 7.708 779 H LEU 97 H LEU 97 4.739 8.850 6.223 780 HA LEU 97 HA LEU 97 2.041 8.542 7.259 781 HB2 LEU 97 HB2 LEU 97 3.724 6.602 5.675 782 HB3 LEU 97 HB3 LEU 97 2.015 6.441 6.029 783 HG LEU 97 HG LEU 97 1.754 8.665 4.736 784 HD11 LEU 97 HD11 LEU 97 4.479 7.777 3.810 785 HD12 LEU 97 HD12 LEU 97 4.060 9.307 4.579 786 HD13 LEU 97 HD13 LEU 97 3.466 8.942 2.960 787 HD21 LEU 97 HD21 LEU 97 0.921 6.516 3.956 788 HD22 LEU 97 HD22 LEU 97 2.515 6.120 3.313 789 HD23 LEU 97 HD23 LEU 97 1.592 7.453 2.620 790 H LEU 98 H LEU 98 4.653 6.146 7.176 791 HA LEU 98 HA LEU 98 4.005 4.738 9.362 792 HB2 LEU 98 HB2 LEU 98 5.843 4.165 7.833 793 HB3 LEU 98 HB3 LEU 98 6.832 5.421 8.551 794 HG LEU 98 HG LEU 98 6.766 4.209 10.710 795 HD11 LEU 98 HD11 LEU 98 5.362 2.073 9.109 796 HD12 LEU 98 HD12 LEU 98 4.652 3.035 10.407 797 HD13 LEU 98 HD13 LEU 98 5.958 1.905 10.760 798 HD21 LEU 98 HD21 LEU 98 8.627 3.892 9.167 799 HD22 LEU 98 HD22 LEU 98 7.752 2.587 8.366 800 HD23 LEU 98 HD23 LEU 98 8.270 2.403 10.042 801 H ASN 99 H ASN 99 5.511 7.875 9.379 802 HA ASN 99 HA ASN 99 5.180 8.002 12.265 803 HB2 ASN 99 HB2 ASN 99 7.509 7.278 11.997 804 HB3 ASN 99 HB3 ASN 99 7.818 8.643 10.927 805 HD21 ASN 99 HD21 ASN 99 7.250 7.632 14.198 806 HD22 ASN 99 HD22 ASN 99 7.739 9.106 14.953 807 H VAL 100 H VAL 100 4.032 9.769 12.641 808 HA VAL 100 HA VAL 100 4.543 12.161 10.995 809 HB VAL 100 HB VAL 100 2.384 11.153 10.399 810 HG11 VAL 100 HG11 VAL 100 1.880 10.049 12.507 811 HG12 VAL 100 HG12 VAL 100 0.550 11.099 12.021 812 HG13 VAL 100 HG13 VAL 100 1.660 11.613 13.290 813 HG21 VAL 100 HG21 VAL 100 0.990 13.147 10.711 814 HG22 VAL 100 HG22 VAL 100 2.638 13.570 10.245 815 HG23 VAL 100 HG23 VAL 100 2.124 13.744 11.923 816 H GLY 101 H GLY 101 4.609 14.128 12.032 817 HA2 GLY 101 HA2 GLY 101 4.214 14.090 14.960 818 HA3 GLY 101 HA3 GLY 101 5.602 14.861 14.206 819 H ILE 102 H ILE 102 2.802 15.527 15.676 820 HA ILE 102 HA ILE 102 1.958 17.701 13.930 821 HB ILE 102 HB ILE 102 0.214 16.364 14.985 822 HG12 ILE 102 HG12 ILE 102 -1.087 18.210 16.034 823 HG13 ILE 102 HG13 ILE 102 0.376 19.187 16.066 824 HG21 ILE 102 HG21 ILE 102 -0.139 16.433 17.411 825 HG22 ILE 102 HG22 ILE 102 1.359 17.345 17.596 826 HG23 ILE 102 HG23 ILE 102 1.404 15.690 16.991 827 HD11 ILE 102 HD11 ILE 102 0.477 19.123 13.632 828 HD12 ILE 102 HD12 ILE 102 -1.055 19.790 14.200 829 HD13 ILE 102 HD13 ILE 102 -0.983 18.134 13.598 830 H GLY 103 H GLY 103 2.227 19.849 14.353 831 HA2 GLY 103 HA2 GLY 103 2.616 21.220 16.663 832 HA3 GLY 103 HA3 GLY 103 4.206 20.551 16.328 Start of MODEL 8 1 H GLY 1 H GLY 1 11.813 4.672 -14.033 2 HA2 GLY 1 HA2 GLY 1 9.880 5.798 -13.121 3 HA3 GLY 1 HA3 GLY 1 10.350 7.256 -13.982 4 H SER 2 H SER 2 8.405 4.574 -14.076 5 HA SER 2 HA SER 2 7.811 5.042 -16.901 6 HB2 SER 2 HB2 SER 2 8.283 2.291 -15.723 7 HB3 SER 2 HB3 SER 2 7.681 2.615 -17.349 8 HG SER 2 HG SER 2 9.792 2.444 -17.696 9 H TYR 3 H TYR 3 6.831 2.873 -14.239 10 HA TYR 3 HA TYR 3 4.034 3.323 -14.927 11 HB2 TYR 3 HB2 TYR 3 4.805 1.016 -14.512 12 HB3 TYR 3 HB3 TYR 3 5.267 1.471 -12.876 13 HD1 TYR 3 HD1 TYR 3 2.266 1.575 -15.106 14 HD2 TYR 3 HD2 TYR 3 3.785 0.996 -11.174 15 HE1 TYR 3 HE1 TYR 3 0.003 1.018 -14.321 16 HE2 TYR 3 HE2 TYR 3 1.526 0.439 -10.378 17 HH TYR 3 HH TYR 3 -0.808 0.837 -11.031 18 H TRP 4 H TRP 4 2.844 4.804 -13.930 19 HA TRP 4 HA TRP 4 3.307 5.423 -11.133 20 HB2 TRP 4 HB2 TRP 4 4.776 6.997 -12.382 21 HB3 TRP 4 HB3 TRP 4 3.355 7.615 -13.217 22 HD1 TRP 4 HD1 TRP 4 1.657 9.138 -11.792 23 HE1 TRP 4 HE1 TRP 4 1.980 10.471 -9.614 24 HE3 TRP 4 HE3 TRP 4 5.986 6.971 -10.148 25 HZ2 TRP 4 HZ2 TRP 4 3.826 10.589 -7.481 26 HZ3 TRP 4 HZ3 TRP 4 6.966 7.752 -8.030 27 HH2 TRP 4 HH2 TRP 4 5.907 9.524 -6.726 28 HA PRO 5 HA PRO 5 -1.176 5.190 -12.045 29 HB2 PRO 5 HB2 PRO 5 -1.291 4.856 -9.115 30 HB3 PRO 5 HB3 PRO 5 -1.954 3.830 -10.389 31 HG2 PRO 5 HG2 PRO 5 0.173 3.072 -8.948 32 HG3 PRO 5 HG3 PRO 5 0.023 2.669 -10.668 33 HD2 PRO 5 HD2 PRO 5 1.659 4.806 -9.357 34 HD3 PRO 5 HD3 PRO 5 2.080 3.734 -10.710 35 H ALA 6 H ALA 6 -3.047 6.204 -10.567 36 HA ALA 6 HA ALA 6 -2.309 9.031 -10.310 37 HB1 ALA 6 HB1 ALA 6 -5.043 7.764 -10.475 38 HB2 ALA 6 HB2 ALA 6 -4.172 8.518 -11.812 39 HB3 ALA 6 HB3 ALA 6 -4.700 9.494 -10.441 40 H ARG 7 H ARG 7 -3.554 10.232 -8.551 41 HA ARG 7 HA ARG 7 -2.890 9.077 -6.042 42 HB2 ARG 7 HB2 ARG 7 -4.474 11.572 -6.679 43 HB3 ARG 7 HB3 ARG 7 -3.867 11.140 -5.086 44 HG2 ARG 7 HG2 ARG 7 -1.573 11.249 -5.939 45 HG3 ARG 7 HG3 ARG 7 -2.196 11.711 -7.525 46 HD2 ARG 7 HD2 ARG 7 -3.189 13.720 -6.552 47 HD3 ARG 7 HD3 ARG 7 -2.585 13.254 -4.963 48 HE ARG 7 HE ARG 7 -0.444 13.384 -6.789 49 HH11 ARG 7 HH11 ARG 7 -2.665 15.446 -5.072 50 HH12 ARG 7 HH12 ARG 7 -1.579 16.795 -5.027 51 HH21 ARG 7 HH21 ARG 7 0.993 15.153 -6.735 52 HH22 ARG 7 HH22 ARG 7 0.500 16.628 -5.972 53 H HIS 8 H HIS 8 -4.229 8.490 -4.324 54 HA HIS 8 HA HIS 8 -5.991 7.480 -3.309 55 HB2 HIS 8 HB2 HIS 8 -7.614 9.131 -5.258 56 HB3 HIS 8 HB3 HIS 8 -8.259 8.295 -3.849 57 HD1 HIS 8 HD1 HIS 8 -8.086 9.470 -1.625 58 HD2 HIS 8 HD2 HIS 8 -5.926 11.368 -4.625 59 HE1 HIS 8 HE1 HIS 8 -7.355 11.667 -0.641 60 HE2 HIS 8 HE2 HIS 8 -5.977 12.760 -2.445 61 H SER 9 H SER 9 -4.903 6.590 -6.122 62 HA SER 9 HA SER 9 -7.088 5.061 -7.217 63 HB2 SER 9 HB2 SER 9 -4.117 4.961 -7.798 64 HB3 SER 9 HB3 SER 9 -5.360 4.107 -8.713 65 HG SER 9 HG SER 9 -6.150 6.027 -9.438 66 H GLY 10 H GLY 10 -6.940 2.672 -7.440 67 HA2 GLY 10 HA2 GLY 10 -6.719 1.407 -4.982 68 HA3 GLY 10 HA3 GLY 10 -6.780 0.573 -6.527 69 H ALA 11 H ALA 11 -4.586 0.709 -7.752 70 HA ALA 11 HA ALA 11 -2.663 -0.635 -6.351 71 HB1 ALA 11 HB1 ALA 11 -1.165 -0.211 -8.240 72 HB2 ALA 11 HB2 ALA 11 -2.254 1.051 -8.815 73 HB3 ALA 11 HB3 ALA 11 -2.793 -0.629 -8.778 74 H ARG 12 H ARG 12 -3.137 2.788 -6.506 75 HA ARG 12 HA ARG 12 -0.473 3.584 -5.780 76 HB2 ARG 12 HB2 ARG 12 -2.410 4.926 -6.942 77 HB3 ARG 12 HB3 ARG 12 -2.911 5.250 -5.297 78 HG2 ARG 12 HG2 ARG 12 -0.104 5.765 -6.141 79 HG3 ARG 12 HG3 ARG 12 -1.374 6.929 -6.510 80 HD2 ARG 12 HD2 ARG 12 -1.938 7.059 -4.129 81 HD3 ARG 12 HD3 ARG 12 -0.661 5.900 -3.765 82 HE ARG 12 HE ARG 12 0.666 7.859 -5.055 83 HH11 ARG 12 HH11 ARG 12 -1.568 7.887 -2.383 84 HH12 ARG 12 HH12 ARG 12 -0.861 9.280 -1.638 85 HH21 ARG 12 HH21 ARG 12 1.605 9.695 -4.081 86 HH22 ARG 12 HH22 ARG 12 0.943 10.309 -2.602 87 H VAL 13 H VAL 13 -3.604 3.464 -4.147 88 HA VAL 13 HA VAL 13 -2.710 4.297 -1.635 89 HB VAL 13 HB VAL 13 -5.123 2.678 -2.430 90 HG11 VAL 13 HG11 VAL 13 -4.619 2.181 -0.119 91 HG12 VAL 13 HG12 VAL 13 -6.029 3.237 -0.207 92 HG13 VAL 13 HG13 VAL 13 -4.458 3.899 0.245 93 HG21 VAL 13 HG21 VAL 13 -4.959 5.009 -3.269 94 HG22 VAL 13 HG22 VAL 13 -4.883 5.565 -1.599 95 HG23 VAL 13 HG23 VAL 13 -6.327 4.745 -2.190 96 H ILE 14 H ILE 14 -3.024 1.039 -3.023 97 HA ILE 14 HA ILE 14 -2.458 -0.296 -0.641 98 HB ILE 14 HB ILE 14 -2.037 -2.282 -1.986 99 HG12 ILE 14 HG12 ILE 14 -2.271 -0.442 -4.372 100 HG13 ILE 14 HG13 ILE 14 -0.800 -1.250 -3.844 101 HG21 ILE 14 HG21 ILE 14 -4.379 -0.622 -2.868 102 HG22 ILE 14 HG22 ILE 14 -4.310 -1.728 -1.496 103 HG23 ILE 14 HG23 ILE 14 -4.221 -2.356 -3.141 104 HD11 ILE 14 HD11 ILE 14 -3.299 -2.641 -4.775 105 HD12 ILE 14 HD12 ILE 14 -1.776 -3.408 -4.323 106 HD13 ILE 14 HD13 ILE 14 -1.853 -2.369 -5.745 107 H LEU 15 H LEU 15 -0.153 0.009 -3.396 108 HA LEU 15 HA LEU 15 2.001 -0.822 -2.078 109 HB2 LEU 15 HB2 LEU 15 2.133 1.474 -4.024 110 HB3 LEU 15 HB3 LEU 15 3.407 0.338 -3.655 111 HG LEU 15 HG LEU 15 0.818 -0.658 -4.777 112 HD11 LEU 15 HD11 LEU 15 1.483 1.139 -6.265 113 HD12 LEU 15 HD12 LEU 15 1.745 -0.428 -7.028 114 HD13 LEU 15 HD13 LEU 15 3.112 0.472 -6.370 115 HD21 LEU 15 HD21 LEU 15 2.439 -2.266 -3.916 116 HD22 LEU 15 HD22 LEU 15 3.676 -1.595 -4.978 117 HD23 LEU 15 HD23 LEU 15 2.270 -2.407 -5.666 118 H LEU 16 H LEU 16 0.564 2.318 -1.560 119 HA LEU 16 HA LEU 16 2.950 3.513 -0.428 120 HB2 LEU 16 HB2 LEU 16 1.374 4.914 -1.631 121 HB3 LEU 16 HB3 LEU 16 0.069 4.386 -0.589 122 HG LEU 16 HG LEU 16 1.201 5.444 1.323 123 HD11 LEU 16 HD11 LEU 16 3.073 6.527 -0.775 124 HD12 LEU 16 HD12 LEU 16 3.489 5.347 0.466 125 HD13 LEU 16 HD13 LEU 16 3.043 6.990 0.927 126 HD21 LEU 16 HD21 LEU 16 0.665 7.739 0.683 127 HD22 LEU 16 HD22 LEU 16 -0.548 6.603 0.090 128 HD23 LEU 16 HD23 LEU 16 0.657 7.262 -1.015 129 H VAL 17 H VAL 17 -0.209 2.290 0.569 130 HA VAL 17 HA VAL 17 0.128 2.811 3.337 131 HB VAL 17 HB VAL 17 -2.007 2.388 1.946 132 HG11 VAL 17 HG11 VAL 17 -1.450 0.187 1.132 133 HG12 VAL 17 HG12 VAL 17 -2.913 0.140 2.118 134 HG13 VAL 17 HG13 VAL 17 -1.383 -0.426 2.786 135 HG21 VAL 17 HG21 VAL 17 -3.198 1.609 3.992 136 HG22 VAL 17 HG22 VAL 17 -2.101 2.964 4.261 137 HG23 VAL 17 HG23 VAL 17 -1.623 1.334 4.736 138 H LEU 18 H LEU 18 0.511 -0.173 1.383 139 HA LEU 18 HA LEU 18 1.459 -1.764 3.395 140 HB2 LEU 18 HB2 LEU 18 1.833 -1.722 0.435 141 HB3 LEU 18 HB3 LEU 18 2.828 -2.821 1.372 142 HG LEU 18 HG LEU 18 0.779 -3.814 0.396 143 HD11 LEU 18 HD11 LEU 18 0.983 -3.862 3.401 144 HD12 LEU 18 HD12 LEU 18 1.941 -4.833 2.284 145 HD13 LEU 18 HD13 LEU 18 0.198 -5.084 2.401 146 HD21 LEU 18 HD21 LEU 18 -1.350 -3.422 1.591 147 HD22 LEU 18 HD22 LEU 18 -0.796 -2.032 0.661 148 HD23 LEU 18 HD23 LEU 18 -0.592 -2.058 2.413 149 H TYR 19 H TYR 19 2.994 0.813 1.757 150 HA TYR 19 HA TYR 19 5.716 0.055 1.951 151 HB2 TYR 19 HB2 TYR 19 5.086 1.870 0.502 152 HB3 TYR 19 HB3 TYR 19 4.414 2.772 1.852 153 HD1 TYR 19 HD1 TYR 19 7.540 1.654 0.255 154 HD2 TYR 19 HD2 TYR 19 5.807 4.046 3.318 155 HE1 TYR 19 HE1 TYR 19 9.703 2.775 0.598 156 HE2 TYR 19 HE2 TYR 19 7.962 5.173 3.668 157 HH TYR 19 HH TYR 19 10.529 4.950 1.509 158 H ARG 20 H ARG 20 3.872 2.332 4.030 159 HA ARG 20 HA ARG 20 5.915 2.615 5.912 160 HB2 ARG 20 HB2 ARG 20 4.143 3.395 7.466 161 HB3 ARG 20 HB3 ARG 20 4.083 4.165 5.887 162 HG2 ARG 20 HG2 ARG 20 1.907 3.709 5.999 163 HG3 ARG 20 HG3 ARG 20 2.389 2.081 5.520 164 HD2 ARG 20 HD2 ARG 20 0.923 1.928 7.419 165 HD3 ARG 20 HD3 ARG 20 2.553 1.478 7.917 166 HE ARG 20 HE ARG 20 2.264 4.190 8.430 167 HH11 ARG 20 HH11 ARG 20 0.844 1.189 9.484 168 HH12 ARG 20 HH12 ARG 20 0.462 1.776 11.068 169 HH21 ARG 20 HH21 ARG 20 1.766 4.973 10.512 170 HH22 ARG 20 HH22 ARG 20 0.985 3.927 11.652 171 H GLU 21 H GLU 21 2.998 0.610 6.444 172 HA GLU 21 HA GLU 21 3.849 -0.797 8.457 173 HB2 GLU 21 HB2 GLU 21 1.642 -1.108 7.347 174 HB3 GLU 21 HB3 GLU 21 2.421 -2.171 6.181 175 HG2 GLU 21 HG2 GLU 21 1.264 -3.367 8.005 176 HG3 GLU 21 HG3 GLU 21 2.978 -3.746 7.889 177 H HIS 22 H HIS 22 5.297 -1.045 5.383 178 HA HIS 22 HA HIS 22 6.379 -3.727 5.757 179 HB2 HIS 22 HB2 HIS 22 5.918 -3.132 3.482 180 HB3 HIS 22 HB3 HIS 22 6.821 -1.631 3.626 181 HD1 HIS 22 HD1 HIS 22 7.152 -5.052 2.518 182 HD2 HIS 22 HD2 HIS 22 9.714 -2.148 4.024 183 HE1 HIS 22 HE1 HIS 22 9.466 -5.794 1.873 184 HE2 HIS 22 HE2 HIS 22 10.991 -3.979 2.719 185 H LEU 23 H LEU 23 7.435 -0.343 5.742 186 HA LEU 23 HA LEU 23 10.086 -0.823 6.451 187 HB2 LEU 23 HB2 LEU 23 8.280 1.549 6.711 188 HB3 LEU 23 HB3 LEU 23 9.892 1.594 7.397 189 HG LEU 23 HG LEU 23 10.751 0.988 5.100 190 HD11 LEU 23 HD11 LEU 23 9.329 1.442 3.198 191 HD12 LEU 23 HD12 LEU 23 7.974 1.792 4.272 192 HD13 LEU 23 HD13 LEU 23 8.633 0.159 4.189 193 HD21 LEU 23 HD21 LEU 23 10.935 3.232 6.016 194 HD22 LEU 23 HD22 LEU 23 9.309 3.610 5.445 195 HD23 LEU 23 HD23 LEU 23 10.600 3.291 4.285 196 H ASN 24 H ASN 24 7.450 -1.558 8.249 197 HA ASN 24 HA ASN 24 8.056 -0.577 10.829 198 HB2 ASN 24 HB2 ASN 24 6.269 -2.646 9.702 199 HB3 ASN 24 HB3 ASN 24 6.740 -2.853 11.386 200 HD21 ASN 24 HD21 ASN 24 6.075 -1.393 12.915 201 HD22 ASN 24 HD22 ASN 24 4.851 -0.216 12.602 202 HA PRO 25 HA PRO 25 11.697 -3.213 11.368 203 HB2 PRO 25 HB2 PRO 25 11.877 -1.762 13.917 204 HB3 PRO 25 HB3 PRO 25 13.051 -1.870 12.608 205 HG2 PRO 25 HG2 PRO 25 11.689 0.394 13.122 206 HG3 PRO 25 HG3 PRO 25 12.155 -0.074 11.476 207 HD2 PRO 25 HD2 PRO 25 9.493 -0.304 12.829 208 HD3 PRO 25 HD3 PRO 25 9.876 0.149 11.158 209 H ASN 26 H ASN 26 9.115 -2.507 13.633 210 HA ASN 26 HA ASN 26 9.698 -4.992 15.076 211 HB2 ASN 26 HB2 ASN 26 8.342 -2.464 15.984 212 HB3 ASN 26 HB3 ASN 26 8.173 -3.978 16.863 213 HD21 ASN 26 HD21 ASN 26 10.326 -1.419 15.939 214 HD22 ASN 26 HD22 ASN 26 11.589 -1.801 17.053 215 H GLY 27 H GLY 27 7.589 -3.410 12.991 216 HA2 GLY 27 HA2 GLY 27 5.275 -5.064 13.685 217 HA3 GLY 27 HA3 GLY 27 5.292 -3.747 12.522 218 H HIS 28 H HIS 28 4.041 -5.571 11.402 219 HA HIS 28 HA HIS 28 5.742 -7.646 10.247 220 HB2 HIS 28 HB2 HIS 28 2.778 -7.114 9.940 221 HB3 HIS 28 HB3 HIS 28 3.643 -8.469 9.220 222 HD1 HIS 28 HD1 HIS 28 4.004 -10.501 10.659 223 HD2 HIS 28 HD2 HIS 28 2.603 -7.235 12.813 224 HE1 HIS 28 HE1 HIS 28 3.454 -11.390 12.946 225 HE2 HIS 28 HE2 HIS 28 2.525 -9.415 14.204 226 H HIS 29 H HIS 29 6.342 -7.700 8.124 227 HA HIS 29 HA HIS 29 6.264 -5.198 6.698 228 HB2 HIS 29 HB2 HIS 29 7.482 -7.878 6.008 229 HB3 HIS 29 HB3 HIS 29 7.650 -6.432 5.016 230 HD1 HIS 29 HD1 HIS 29 9.832 -5.353 5.376 231 HD2 HIS 29 HD2 HIS 29 8.411 -7.133 8.852 232 HE1 HIS 29 HE1 HIS 29 11.590 -4.918 7.121 233 HE2 HIS 29 HE2 HIS 29 10.750 -6.081 9.192 234 H PHE 30 H PHE 30 3.701 -6.388 7.046 235 HA PHE 30 HA PHE 30 2.790 -6.410 4.353 236 HB2 PHE 30 HB2 PHE 30 1.731 -8.623 4.330 237 HB3 PHE 30 HB3 PHE 30 3.476 -8.764 4.454 238 HD1 PHE 30 HD1 PHE 30 0.297 -9.102 6.254 239 HD2 PHE 30 HD2 PHE 30 4.505 -9.722 6.394 240 HE1 PHE 30 HE1 PHE 30 0.016 -10.522 8.241 241 HE2 PHE 30 HE2 PHE 30 4.231 -11.146 8.382 242 HZ PHE 30 HZ PHE 30 1.982 -11.547 9.307 243 H LEU 31 H LEU 31 0.371 -6.902 4.270 244 HA LEU 31 HA LEU 31 -1.103 -6.600 6.753 245 HB2 LEU 31 HB2 LEU 31 -0.846 -4.502 4.634 246 HB3 LEU 31 HB3 LEU 31 -2.338 -4.653 5.534 247 HG LEU 31 HG LEU 31 0.373 -4.122 6.732 248 HD11 LEU 31 HD11 LEU 31 -0.507 -1.887 7.188 249 HD12 LEU 31 HD12 LEU 31 -1.989 -2.295 6.324 250 HD13 LEU 31 HD13 LEU 31 -0.455 -2.222 5.458 251 HD21 LEU 31 HD21 LEU 31 -1.070 -5.372 8.246 252 HD22 LEU 31 HD22 LEU 31 -2.362 -4.196 8.002 253 HD23 LEU 31 HD23 LEU 31 -0.868 -3.711 8.803 254 H THR 32 H THR 32 -3.431 -6.787 6.420 255 HA THR 32 HA THR 32 -4.007 -8.526 4.120 256 HB THR 32 HB THR 32 -5.945 -9.331 5.364 257 HG1 THR 32 HG1 THR 32 -6.714 -8.113 6.904 258 HG21 THR 32 HG21 THR 32 -3.436 -9.336 7.049 259 HG22 THR 32 HG22 THR 32 -3.814 -10.464 5.748 260 HG23 THR 32 HG23 THR 32 -4.787 -10.457 7.218 261 H LYS 33 H LYS 33 -5.699 -7.984 2.709 262 HA LYS 33 HA LYS 33 -6.414 -5.548 2.163 263 HB2 LYS 33 HB2 LYS 33 -7.180 -7.768 1.066 264 HB3 LYS 33 HB3 LYS 33 -8.630 -7.565 2.032 265 HG2 LYS 33 HG2 LYS 33 -9.041 -5.401 0.991 266 HG3 LYS 33 HG3 LYS 33 -7.575 -5.581 0.026 267 HD2 LYS 33 HD2 LYS 33 -8.523 -7.574 -1.035 268 HD3 LYS 33 HD3 LYS 33 -9.989 -7.391 -0.069 269 HE2 LYS 33 HE2 LYS 33 -10.393 -5.207 -1.110 270 HE3 LYS 33 HE3 LYS 33 -8.935 -5.400 -2.080 271 HZ1 LYS 33 HZ1 LYS 33 -10.913 -5.986 -3.331 272 HZ2 LYS 33 HZ2 LYS 33 -11.327 -7.159 -2.187 273 HZ3 LYS 33 HZ3 LYS 33 -9.928 -7.344 -3.119 274 H GLU 34 H GLU 34 -7.809 -7.328 4.797 275 HA GLU 34 HA GLU 34 -10.048 -5.585 5.243 276 HB2 GLU 34 HB2 GLU 34 -8.688 -7.572 7.073 277 HB3 GLU 34 HB3 GLU 34 -10.203 -6.754 7.420 278 HG2 GLU 34 HG2 GLU 34 -9.710 -8.658 5.144 279 HG3 GLU 34 HG3 GLU 34 -10.573 -9.024 6.637 280 H GLU 35 H GLU 35 -6.713 -5.780 6.323 281 HA GLU 35 HA GLU 35 -7.011 -3.813 8.411 282 HB2 GLU 35 HB2 GLU 35 -4.566 -5.022 7.112 283 HB3 GLU 35 HB3 GLU 35 -4.503 -3.866 8.435 284 HG2 GLU 35 HG2 GLU 35 -5.703 -5.412 9.870 285 HG3 GLU 35 HG3 GLU 35 -5.830 -6.565 8.544 286 H LEU 36 H LEU 36 -5.579 -3.840 5.149 287 HA LEU 36 HA LEU 36 -4.830 -1.342 4.884 288 HB2 LEU 36 HB2 LEU 36 -6.492 -2.593 2.711 289 HB3 LEU 36 HB3 LEU 36 -5.157 -1.473 2.531 290 HG LEU 36 HG LEU 36 -4.982 -4.346 3.410 291 HD11 LEU 36 HD11 LEU 36 -4.054 -2.932 0.922 292 HD12 LEU 36 HD12 LEU 36 -5.320 -4.154 1.042 293 HD13 LEU 36 HD13 LEU 36 -3.640 -4.592 1.351 294 HD21 LEU 36 HD21 LEU 36 -2.819 -2.268 3.134 295 HD22 LEU 36 HD22 LEU 36 -2.545 -3.991 3.386 296 HD23 LEU 36 HD23 LEU 36 -3.354 -3.037 4.630 297 H LEU 37 H LEU 37 -8.187 -2.335 4.956 298 HA LEU 37 HA LEU 37 -9.435 -0.069 3.979 299 HB2 LEU 37 HB2 LEU 37 -10.319 -1.793 6.297 300 HB3 LEU 37 HB3 LEU 37 -11.349 -0.696 5.399 301 HG LEU 37 HG LEU 37 -10.000 -3.146 4.261 302 HD11 LEU 37 HD11 LEU 37 -12.261 -4.067 4.154 303 HD12 LEU 37 HD12 LEU 37 -12.885 -2.632 4.965 304 HD13 LEU 37 HD13 LEU 37 -11.784 -3.715 5.814 305 HD21 LEU 37 HD21 LEU 37 -11.390 -2.717 2.291 306 HD22 LEU 37 HD22 LEU 37 -10.271 -1.389 2.596 307 HD23 LEU 37 HD23 LEU 37 -11.972 -1.224 3.029 308 H GLN 38 H GLN 38 -8.446 -0.731 7.336 309 HA GLN 38 HA GLN 38 -9.230 1.896 8.243 310 HB2 GLN 38 HB2 GLN 38 -9.347 -0.030 9.760 311 HB3 GLN 38 HB3 GLN 38 -7.611 -0.263 9.610 312 HG2 GLN 38 HG2 GLN 38 -7.227 1.913 10.649 313 HG3 GLN 38 HG3 GLN 38 -8.967 2.147 10.798 314 HE21 GLN 38 HE21 GLN 38 -10.120 0.940 12.306 315 HE22 GLN 38 HE22 GLN 38 -9.341 0.103 13.600 316 H ARG 39 H ARG 39 -6.199 0.183 7.604 317 HA ARG 39 HA ARG 39 -4.351 2.035 8.267 318 HB2 ARG 39 HB2 ARG 39 -4.190 -0.343 7.176 319 HB3 ARG 39 HB3 ARG 39 -4.030 0.576 5.685 320 HG2 ARG 39 HG2 ARG 39 -1.851 0.136 6.411 321 HG3 ARG 39 HG3 ARG 39 -2.163 1.828 6.804 322 HD2 ARG 39 HD2 ARG 39 -2.554 -0.404 8.781 323 HD3 ARG 39 HD3 ARG 39 -1.024 0.442 8.596 324 HE ARG 39 HE ARG 39 -2.933 2.395 8.969 325 HH11 ARG 39 HH11 ARG 39 -1.706 -0.339 10.748 326 HH12 ARG 39 HH12 ARG 39 -2.025 0.364 12.298 327 HH21 ARG 39 HH21 ARG 39 -3.357 3.327 11.006 328 HH22 ARG 39 HH22 ARG 39 -2.964 2.448 12.446 329 H CYS 40 H CYS 40 -6.035 1.840 5.187 330 HA CYS 40 HA CYS 40 -4.758 3.886 3.807 331 HB2 CYS 40 HB2 CYS 40 -6.246 2.373 2.662 332 HB3 CYS 40 HB3 CYS 40 -7.614 2.916 3.628 333 HG CYS 40 HG CYS 40 -8.093 4.012 1.193 334 H ALA 41 H ALA 41 -7.474 4.056 6.066 335 HA ALA 41 HA ALA 41 -8.293 6.559 5.849 336 HB1 ALA 41 HB1 ALA 41 -8.778 6.640 8.229 337 HB2 ALA 41 HB2 ALA 41 -7.640 5.325 8.521 338 HB3 ALA 41 HB3 ALA 41 -9.104 5.032 7.582 339 H GLN 42 H GLN 42 -5.226 5.714 7.421 340 HA GLN 42 HA GLN 42 -4.568 8.436 7.852 341 HB2 GLN 42 HB2 GLN 42 -2.808 5.974 7.937 342 HB3 GLN 42 HB3 GLN 42 -2.376 7.556 8.571 343 HG2 GLN 42 HG2 GLN 42 -4.635 5.822 9.546 344 HG3 GLN 42 HG3 GLN 42 -3.076 6.038 10.339 345 HE21 GLN 42 HE21 GLN 42 -2.618 7.985 11.366 346 HE22 GLN 42 HE22 GLN 42 -3.853 9.122 11.773 347 H LYS 43 H LYS 43 -4.120 6.192 5.322 348 HA LYS 43 HA LYS 43 -1.977 7.384 3.957 349 HB2 LYS 43 HB2 LYS 43 -2.683 5.101 3.562 350 HB3 LYS 43 HB3 LYS 43 -4.252 5.656 2.999 351 HG2 LYS 43 HG2 LYS 43 -1.740 6.518 1.611 352 HG3 LYS 43 HG3 LYS 43 -2.444 4.933 1.288 353 HD2 LYS 43 HD2 LYS 43 -4.440 5.879 0.469 354 HD3 LYS 43 HD3 LYS 43 -4.035 7.469 1.116 355 HE2 LYS 43 HE2 LYS 43 -2.116 7.558 -0.459 356 HE3 LYS 43 HE3 LYS 43 -2.672 6.038 -1.158 357 HZ1 LYS 43 HZ1 LYS 43 -4.187 8.593 -1.106 358 HZ2 LYS 43 HZ2 LYS 43 -4.762 7.134 -1.737 359 HZ3 LYS 43 HZ3 LYS 43 -3.441 7.904 -2.460 360 H SER 44 H SER 44 -5.311 8.182 4.216 361 HA SER 44 HA SER 44 -4.875 10.610 2.703 362 HB2 SER 44 HB2 SER 44 -6.953 8.575 1.864 363 HB3 SER 44 HB3 SER 44 -6.926 10.248 1.304 364 HG SER 44 HG SER 44 -5.755 8.345 0.124 365 HA PRO 45 HA PRO 45 -7.468 12.108 5.965 366 HB2 PRO 45 HB2 PRO 45 -8.304 14.260 4.126 367 HB3 PRO 45 HB3 PRO 45 -7.467 14.370 5.676 368 HG2 PRO 45 HG2 PRO 45 -6.203 14.849 3.359 369 HG3 PRO 45 HG3 PRO 45 -5.385 14.069 4.725 370 HD2 PRO 45 HD2 PRO 45 -6.499 12.845 2.231 371 HD3 PRO 45 HD3 PRO 45 -4.998 12.465 3.100 372 H ARG 46 H ARG 46 -9.346 13.413 3.299 373 HA ARG 46 HA ARG 46 -11.709 12.428 4.077 374 HB2 ARG 46 HB2 ARG 46 -10.883 12.946 1.216 375 HB3 ARG 46 HB3 ARG 46 -12.545 12.822 1.777 376 HG2 ARG 46 HG2 ARG 46 -12.180 14.766 3.234 377 HG3 ARG 46 HG3 ARG 46 -10.534 14.903 2.613 378 HD2 ARG 46 HD2 ARG 46 -11.412 15.249 0.359 379 HD3 ARG 46 HD3 ARG 46 -13.059 15.098 0.973 380 HE ARG 46 HE ARG 46 -11.642 17.139 2.345 381 HH11 ARG 46 HH11 ARG 46 -13.251 16.434 -0.664 382 HH12 ARG 46 HH12 ARG 46 -13.650 18.088 -0.986 383 HH21 ARG 46 HH21 ARG 46 -12.164 19.319 1.930 384 HH22 ARG 46 HH22 ARG 46 -13.032 19.728 0.488 385 H VAL 47 H VAL 47 -11.753 10.310 4.720 386 HA VAL 47 HA VAL 47 -11.788 8.330 2.543 387 HB VAL 47 HB VAL 47 -10.876 6.640 4.118 388 HG11 VAL 47 HG11 VAL 47 -9.381 7.665 2.516 389 HG12 VAL 47 HG12 VAL 47 -8.527 7.426 4.043 390 HG13 VAL 47 HG13 VAL 47 -9.109 9.031 3.597 391 HG21 VAL 47 HG21 VAL 47 -11.498 7.760 6.205 392 HG22 VAL 47 HG22 VAL 47 -10.310 9.022 5.883 393 HG23 VAL 47 HG23 VAL 47 -9.781 7.366 6.172 394 H ALA 48 H ALA 48 -13.437 6.844 2.625 395 HA ALA 48 HA ALA 48 -15.617 7.489 4.440 396 HB1 ALA 48 HB1 ALA 48 -16.102 7.187 2.059 397 HB2 ALA 48 HB2 ALA 48 -16.961 6.007 3.050 398 HB3 ALA 48 HB3 ALA 48 -15.521 5.524 2.154 399 HA PRO 49 HA PRO 49 -14.847 4.281 7.385 400 HB2 PRO 49 HB2 PRO 49 -17.784 3.838 7.359 401 HB3 PRO 49 HB3 PRO 49 -16.715 4.210 8.715 402 HG2 PRO 49 HG2 PRO 49 -18.353 6.063 7.722 403 HG3 PRO 49 HG3 PRO 49 -16.719 6.484 8.267 404 HD2 PRO 49 HD2 PRO 49 -17.759 6.123 5.486 405 HD3 PRO 49 HD3 PRO 49 -16.596 7.310 6.110 406 H GLY 50 H GLY 50 -17.612 3.388 5.305 407 HA2 GLY 50 HA2 GLY 50 -16.595 0.671 5.136 408 HA3 GLY 50 HA3 GLY 50 -18.145 1.247 4.538 409 H SER 51 H SER 51 -15.170 2.882 3.766 410 HA SER 51 HA SER 51 -15.583 2.900 1.025 411 HB2 SER 51 HB2 SER 51 -13.210 3.585 0.845 412 HB3 SER 51 HB3 SER 51 -14.048 4.445 2.134 413 HG SER 51 HG SER 51 -12.251 3.783 3.119 414 H ALA 52 H ALA 52 -15.803 1.140 -0.206 415 HA ALA 52 HA ALA 52 -13.644 -0.835 -0.179 416 HB1 ALA 52 HB1 ALA 52 -15.198 -2.706 -0.256 417 HB2 ALA 52 HB2 ALA 52 -16.562 -1.596 -0.113 418 HB3 ALA 52 HB3 ALA 52 -15.422 -1.771 1.222 419 HA PRO 53 HA PRO 53 -15.046 0.396 -4.465 420 HB2 PRO 53 HB2 PRO 53 -12.871 1.736 -5.273 421 HB3 PRO 53 HB3 PRO 53 -14.116 2.515 -4.288 422 HG2 PRO 53 HG2 PRO 53 -11.465 1.401 -3.458 423 HG3 PRO 53 HG3 PRO 53 -12.248 2.913 -2.962 424 HD2 PRO 53 HD2 PRO 53 -12.269 0.605 -1.471 425 HD3 PRO 53 HD3 PRO 53 -13.505 1.873 -1.359 426 HA PRO 54 HA PRO 54 -13.122 -2.846 -6.789 427 HB2 PRO 54 HB2 PRO 54 -11.890 -0.744 -8.524 428 HB3 PRO 54 HB3 PRO 54 -12.751 -2.217 -8.984 429 HG2 PRO 54 HG2 PRO 54 -13.959 0.152 -9.100 430 HG3 PRO 54 HG3 PRO 54 -14.834 -1.294 -8.564 431 HD2 PRO 54 HD2 PRO 54 -13.838 1.012 -6.979 432 HD3 PRO 54 HD3 PRO 54 -15.228 -0.049 -6.682 433 H TRP 55 H TRP 55 -11.660 -3.488 -5.174 434 HA TRP 55 HA TRP 55 -8.946 -2.461 -5.533 435 HB2 TRP 55 HB2 TRP 55 -10.523 -2.978 -3.210 436 HB3 TRP 55 HB3 TRP 55 -9.084 -3.992 -3.165 437 HD1 TRP 55 HD1 TRP 55 -9.017 -0.509 -4.739 438 HE1 TRP 55 HE1 TRP 55 -7.462 0.997 -3.350 439 HE3 TRP 55 HE3 TRP 55 -8.121 -3.667 -0.813 440 HZ2 TRP 55 HZ2 TRP 55 -6.043 0.861 -0.916 441 HZ3 TRP 55 HZ3 TRP 55 -6.671 -2.894 0.994 442 HH2 TRP 55 HH2 TRP 55 -5.651 -0.678 0.951 443 HA PRO 56 HA PRO 56 -8.967 -7.413 -5.872 444 HB2 PRO 56 HB2 PRO 56 -10.086 -7.105 -8.616 445 HB3 PRO 56 HB3 PRO 56 -10.312 -8.415 -7.451 446 HG2 PRO 56 HG2 PRO 56 -12.251 -6.648 -7.900 447 HG3 PRO 56 HG3 PRO 56 -11.934 -7.259 -6.267 448 HD2 PRO 56 HD2 PRO 56 -11.235 -4.620 -7.473 449 HD3 PRO 56 HD3 PRO 56 -11.748 -5.007 -5.819 450 H ALA 57 H ALA 57 -8.278 -4.584 -7.594 451 HA ALA 57 HA ALA 57 -6.545 -5.261 -9.568 452 HB1 ALA 57 HB1 ALA 57 -7.272 -2.968 -8.964 453 HB2 ALA 57 HB2 ALA 57 -5.544 -3.093 -9.305 454 HB3 ALA 57 HB3 ALA 57 -6.109 -2.990 -7.637 455 H LEU 58 H LEU 58 -6.080 -5.744 -6.192 456 HA LEU 58 HA LEU 58 -3.363 -5.712 -5.852 457 HB2 LEU 58 HB2 LEU 58 -5.598 -7.181 -4.647 458 HB3 LEU 58 HB3 LEU 58 -4.053 -7.991 -4.493 459 HG LEU 58 HG LEU 58 -4.505 -6.645 -2.527 460 HD11 LEU 58 HD11 LEU 58 -2.335 -5.411 -4.215 461 HD12 LEU 58 HD12 LEU 58 -2.185 -6.898 -3.281 462 HD13 LEU 58 HD13 LEU 58 -2.451 -5.361 -2.456 463 HD21 LEU 58 HD21 LEU 58 -5.971 -4.981 -3.555 464 HD22 LEU 58 HD22 LEU 58 -4.591 -4.290 -4.408 465 HD23 LEU 58 HD23 LEU 58 -4.665 -4.218 -2.647 466 H ARG 59 H ARG 59 -5.283 -8.465 -7.026 467 HA ARG 59 HA ARG 59 -3.234 -10.226 -7.542 468 HB2 ARG 59 HB2 ARG 59 -5.768 -9.856 -9.149 469 HB3 ARG 59 HB3 ARG 59 -4.744 -11.285 -9.174 470 HG2 ARG 59 HG2 ARG 59 -5.229 -11.688 -6.820 471 HG3 ARG 59 HG3 ARG 59 -6.243 -10.243 -6.780 472 HD2 ARG 59 HD2 ARG 59 -7.719 -11.235 -8.461 473 HD3 ARG 59 HD3 ARG 59 -6.703 -12.676 -8.504 474 HE ARG 59 HE ARG 59 -7.485 -12.297 -5.865 475 HH11 ARG 59 HH11 ARG 59 -8.972 -12.981 -8.941 476 HH12 ARG 59 HH12 ARG 59 -10.291 -13.867 -8.251 477 HH21 ARG 59 HH21 ARG 59 -9.217 -13.461 -4.948 478 HH22 ARG 59 HH22 ARG 59 -10.431 -14.139 -5.982 479 H SER 60 H SER 60 -4.462 -7.628 -9.592 480 HA SER 60 HA SER 60 -2.912 -8.141 -11.820 481 HB2 SER 60 HB2 SER 60 -3.838 -5.442 -10.807 482 HB3 SER 60 HB3 SER 60 -3.304 -5.793 -12.450 483 HG SER 60 HG SER 60 -5.650 -5.833 -12.021 484 H LEU 61 H LEU 61 -2.075 -6.376 -8.887 485 HA LEU 61 HA LEU 61 0.400 -5.379 -9.951 486 HB2 LEU 61 HB2 LEU 61 -0.835 -5.404 -7.221 487 HB3 LEU 61 HB3 LEU 61 0.849 -4.956 -7.434 488 HG LEU 61 HG LEU 61 -0.223 -3.338 -9.264 489 HD11 LEU 61 HD11 LEU 61 -2.326 -2.411 -8.443 490 HD12 LEU 61 HD12 LEU 61 -2.393 -3.659 -7.198 491 HD13 LEU 61 HD13 LEU 61 -2.502 -4.103 -8.901 492 HD21 LEU 61 HD21 LEU 61 -0.119 -2.814 -6.300 493 HD22 LEU 61 HD22 LEU 61 -0.175 -1.579 -7.557 494 HD23 LEU 61 HD23 LEU 61 1.216 -2.657 -7.442 495 H LEU 62 H LEU 62 -0.550 -8.102 -7.885 496 HA LEU 62 HA LEU 62 1.960 -9.007 -7.102 497 HB2 LEU 62 HB2 LEU 62 -0.416 -10.673 -7.934 498 HB3 LEU 62 HB3 LEU 62 0.928 -11.229 -6.965 499 HG LEU 62 HG LEU 62 -0.846 -8.990 -6.033 500 HD11 LEU 62 HD11 LEU 62 -2.180 -11.041 -6.602 501 HD12 LEU 62 HD12 LEU 62 -2.251 -10.546 -4.913 502 HD13 LEU 62 HD13 LEU 62 -1.235 -11.905 -5.392 503 HD21 LEU 62 HD21 LEU 62 -0.047 -9.635 -3.848 504 HD22 LEU 62 HD22 LEU 62 1.332 -9.363 -4.911 505 HD23 LEU 62 HD23 LEU 62 0.822 -11.005 -4.534 506 H HIS 63 H HIS 63 0.118 -9.496 -10.041 507 HA HIS 63 HA HIS 63 1.821 -11.185 -11.390 508 HB2 HIS 63 HB2 HIS 63 -0.450 -10.640 -12.131 509 HB3 HIS 63 HB3 HIS 63 0.057 -8.999 -12.512 510 HD1 HIS 63 HD1 HIS 63 0.107 -12.477 -13.817 511 HD2 HIS 63 HD2 HIS 63 1.620 -8.753 -14.865 512 HE1 HIS 63 HE1 HIS 63 0.879 -12.711 -16.198 513 HE2 HIS 63 HE2 HIS 63 1.868 -10.469 -16.783 514 H ARG 64 H ARG 64 1.875 -7.653 -11.175 515 HA ARG 64 HA ARG 64 4.053 -7.374 -13.016 516 HB2 ARG 64 HB2 ARG 64 2.914 -5.413 -11.017 517 HB3 ARG 64 HB3 ARG 64 4.055 -5.021 -12.294 518 HG2 ARG 64 HG2 ARG 64 2.352 -5.804 -13.944 519 HG3 ARG 64 HG3 ARG 64 1.212 -5.942 -12.605 520 HD2 ARG 64 HD2 ARG 64 1.496 -3.565 -12.116 521 HD3 ARG 64 HD3 ARG 64 2.644 -3.424 -13.447 522 HE ARG 64 HE ARG 64 -0.073 -4.345 -14.028 523 HH11 ARG 64 HH11 ARG 64 2.368 -1.868 -14.233 524 HH12 ARG 64 HH12 ARG 64 1.531 -0.964 -15.450 525 HH21 ARG 64 HH21 ARG 64 -1.182 -3.163 -15.630 526 HH22 ARG 64 HH22 ARG 64 -0.488 -1.699 -16.244 527 H ASN 65 H ASN 65 3.800 -8.381 -9.835 528 HA ASN 65 HA ASN 65 5.405 -9.138 -8.400 529 HB2 ASN 65 HB2 ASN 65 7.402 -8.036 -10.388 530 HB3 ASN 65 HB3 ASN 65 7.796 -9.015 -8.978 531 HD21 ASN 65 HD21 ASN 65 5.413 -10.686 -9.302 532 HD22 ASN 65 HD22 ASN 65 5.756 -11.741 -10.626 533 H LEU 66 H LEU 66 4.227 -6.369 -8.539 534 HA LEU 66 HA LEU 66 6.310 -4.737 -7.297 535 HB2 LEU 66 HB2 LEU 66 3.431 -3.949 -7.509 536 HB3 LEU 66 HB3 LEU 66 4.839 -2.919 -7.401 537 HG LEU 66 HG LEU 66 3.735 -4.343 -9.794 538 HD11 LEU 66 HD11 LEU 66 3.995 -2.148 -10.803 539 HD12 LEU 66 HD12 LEU 66 4.740 -1.546 -9.322 540 HD13 LEU 66 HD13 LEU 66 3.048 -2.047 -9.317 541 HD21 LEU 66 HD21 LEU 66 6.116 -4.961 -9.690 542 HD22 LEU 66 HD22 LEU 66 6.537 -3.253 -9.578 543 HD23 LEU 66 HD23 LEU 66 5.766 -3.875 -11.034 544 H VAL 67 H VAL 67 3.602 -6.706 -6.518 545 HA VAL 67 HA VAL 67 4.065 -6.192 -3.655 546 HB VAL 67 HB VAL 67 1.643 -6.919 -3.357 547 HG11 VAL 67 HG11 VAL 67 2.161 -4.349 -4.846 548 HG12 VAL 67 HG12 VAL 67 2.372 -4.597 -3.112 549 HG13 VAL 67 HG13 VAL 67 0.763 -4.693 -3.829 550 HG21 VAL 67 HG21 VAL 67 1.447 -7.870 -5.646 551 HG22 VAL 67 HG22 VAL 67 1.453 -6.224 -6.276 552 HG23 VAL 67 HG23 VAL 67 0.152 -6.756 -5.210 553 H LEU 68 H LEU 68 3.197 -8.103 -2.303 554 HA LEU 68 HA LEU 68 3.841 -10.639 -3.665 555 HB2 LEU 68 HB2 LEU 68 5.508 -9.469 -1.924 556 HB3 LEU 68 HB3 LEU 68 4.478 -10.311 -0.787 557 HG LEU 68 HG LEU 68 5.987 -11.642 -3.039 558 HD11 LEU 68 HD11 LEU 68 7.501 -10.755 -1.348 559 HD12 LEU 68 HD12 LEU 68 7.440 -12.517 -1.282 560 HD13 LEU 68 HD13 LEU 68 6.573 -11.557 -0.083 561 HD21 LEU 68 HD21 LEU 68 4.425 -12.793 -0.728 562 HD22 LEU 68 HD22 LEU 68 5.384 -13.718 -1.883 563 HD23 LEU 68 HD23 LEU 68 3.956 -12.837 -2.428 564 H ARG 69 H ARG 69 2.436 -12.286 -3.320 565 HA ARG 69 HA ARG 69 0.158 -11.741 -1.541 566 HB2 ARG 69 HB2 ARG 69 -0.860 -13.729 -2.827 567 HB3 ARG 69 HB3 ARG 69 -0.762 -12.168 -3.630 568 HG2 ARG 69 HG2 ARG 69 0.971 -12.847 -5.013 569 HG3 ARG 69 HG3 ARG 69 1.394 -14.211 -3.974 570 HD2 ARG 69 HD2 ARG 69 -0.698 -15.317 -4.570 571 HD3 ARG 69 HD3 ARG 69 -1.138 -13.949 -5.593 572 HE ARG 69 HE ARG 69 1.360 -14.944 -6.409 573 HH11 ARG 69 HH11 ARG 69 -2.011 -15.831 -6.398 574 HH12 ARG 69 HH12 ARG 69 -1.889 -16.814 -7.819 575 HH21 ARG 69 HH21 ARG 69 1.529 -16.237 -8.279 576 HH22 ARG 69 HH22 ARG 69 0.123 -17.045 -8.888 577 H THR 70 H THR 70 -0.537 -13.296 -0.071 578 HA THR 70 HA THR 70 1.306 -15.537 0.345 579 HB THR 70 HB THR 70 -0.139 -14.217 2.617 580 HG1 THR 70 HG1 THR 70 2.471 -13.435 1.928 581 HG21 THR 70 HG21 THR 70 2.235 -14.878 3.591 582 HG22 THR 70 HG22 THR 70 2.206 -16.017 2.245 583 HG23 THR 70 HG23 THR 70 0.935 -16.061 3.468 584 H HIS 71 H HIS 71 0.214 -16.941 2.234 585 HA HIS 71 HA HIS 71 -1.247 -18.874 1.381 586 HB2 HIS 71 HB2 HIS 71 -0.849 -17.658 3.902 587 HB3 HIS 71 HB3 HIS 71 -2.524 -18.176 3.834 588 HD1 HIS 71 HD1 HIS 71 -2.743 -20.845 3.030 589 HD2 HIS 71 HD2 HIS 71 0.854 -19.562 4.667 590 HE1 HIS 71 HE1 HIS 71 -1.554 -22.940 3.756 591 HE2 HIS 71 HE2 HIS 71 0.590 -22.136 4.809 592 H GLN 72 H GLN 72 -3.276 -16.428 3.051 593 HA GLN 72 HA GLN 72 -4.952 -15.247 1.351 594 HB2 GLN 72 HB2 GLN 72 -5.188 -17.300 0.023 595 HB3 GLN 72 HB3 GLN 72 -5.766 -18.156 1.445 596 HG2 GLN 72 HG2 GLN 72 -7.669 -17.631 0.176 597 HG3 GLN 72 HG3 GLN 72 -7.660 -16.496 1.524 598 HE21 GLN 72 HE21 GLN 72 -7.220 -16.892 -1.899 599 HE22 GLN 72 HE22 GLN 72 -7.280 -15.214 -2.308 600 HA PRO 73 HA PRO 73 -6.602 -13.579 1.845 601 HB2 PRO 73 HB2 PRO 73 -5.680 -12.088 4.256 602 HB3 PRO 73 HB3 PRO 73 -6.966 -11.690 3.111 603 HG2 PRO 73 HG2 PRO 73 -7.558 -12.640 5.520 604 HG3 PRO 73 HG3 PRO 73 -8.475 -13.156 4.092 605 HD2 PRO 73 HD2 PRO 73 -6.373 -14.617 5.629 606 HD3 PRO 73 HD3 PRO 73 -7.838 -15.242 4.845 607 H ALA 74 H ALA 74 -4.954 -13.077 0.487 608 HA ALA 74 HA ALA 74 -2.342 -14.083 0.995 609 HB1 ALA 74 HB1 ALA 74 -1.787 -13.045 -1.139 610 HB2 ALA 74 HB2 ALA 74 -3.346 -12.225 -1.156 611 HB3 ALA 74 HB3 ALA 74 -3.274 -13.984 -1.262 612 H ARG 75 H ARG 75 -1.161 -13.157 2.541 613 HA ARG 75 HA ARG 75 -1.406 -10.462 3.386 614 HB2 ARG 75 HB2 ARG 75 1.030 -12.246 3.604 615 HB3 ARG 75 HB3 ARG 75 0.661 -10.848 4.599 616 HG2 ARG 75 HG2 ARG 75 -0.946 -11.957 5.812 617 HG3 ARG 75 HG3 ARG 75 -1.267 -13.120 4.524 618 HD2 ARG 75 HD2 ARG 75 0.645 -14.378 5.025 619 HD3 ARG 75 HD3 ARG 75 1.369 -13.067 5.962 620 HE ARG 75 HE ARG 75 -1.011 -13.802 7.215 621 HH11 ARG 75 HH11 ARG 75 2.108 -15.180 6.499 622 HH12 ARG 75 HH12 ARG 75 2.109 -16.221 7.884 623 HH21 ARG 75 HH21 ARG 75 -1.017 -15.168 9.040 624 HH22 ARG 75 HH22 ARG 75 0.333 -16.213 9.328 625 H TYR 76 H TYR 76 -0.832 -8.677 2.259 626 HA TYR 76 HA TYR 76 0.999 -8.991 0.083 627 HB2 TYR 76 HB2 TYR 76 -0.734 -6.670 0.913 628 HB3 TYR 76 HB3 TYR 76 0.259 -6.699 -0.542 629 HD1 TYR 76 HD1 TYR 76 -0.114 -8.930 -1.999 630 HD2 TYR 76 HD2 TYR 76 -2.967 -7.211 0.646 631 HE1 TYR 76 HE1 TYR 76 -1.917 -10.067 -3.224 632 HE2 TYR 76 HE2 TYR 76 -4.783 -8.344 -0.569 633 HH TYR 76 HH TYR 76 -5.194 -9.291 -2.802 634 H SER 77 H SER 77 2.818 -7.860 -0.344 635 HA SER 77 HA SER 77 3.952 -6.132 1.658 636 HB2 SER 77 HB2 SER 77 6.025 -7.424 1.940 637 HB3 SER 77 HB3 SER 77 4.630 -8.338 2.511 638 HG SER 77 HG SER 77 4.835 -9.709 0.881 639 H LEU 78 H LEU 78 5.267 -4.654 0.767 640 HA LEU 78 HA LEU 78 5.307 -4.307 -2.015 641 HB2 LEU 78 HB2 LEU 78 6.843 -3.059 0.236 642 HB3 LEU 78 HB3 LEU 78 7.174 -2.627 -1.427 643 HG LEU 78 HG LEU 78 4.628 -2.176 0.115 644 HD11 LEU 78 HD11 LEU 78 6.491 -0.282 -1.305 645 HD12 LEU 78 HD12 LEU 78 6.508 -0.601 0.429 646 HD13 LEU 78 HD13 LEU 78 5.095 0.144 -0.316 647 HD21 LEU 78 HD21 LEU 78 3.783 -1.140 -1.970 648 HD22 LEU 78 HD22 LEU 78 3.973 -2.887 -2.089 649 HD23 LEU 78 HD23 LEU 78 5.163 -1.818 -2.830 650 H THR 79 H THR 79 6.467 -5.426 -3.485 651 HA THR 79 HA THR 79 8.938 -6.661 -2.772 652 HB THR 79 HB THR 79 8.584 -6.644 -5.600 653 HG1 THR 79 HG1 THR 79 6.370 -7.611 -5.485 654 HG21 THR 79 HG21 THR 79 9.486 -8.499 -4.238 655 HG22 THR 79 HG22 THR 79 8.177 -9.028 -5.293 656 HG23 THR 79 HG23 THR 79 7.875 -8.771 -3.575 657 HA PRO 80 HA PRO 80 12.187 -3.939 -4.190 658 HB2 PRO 80 HB2 PRO 80 12.050 -5.097 -6.954 659 HB3 PRO 80 HB3 PRO 80 13.465 -4.677 -5.987 660 HG2 PRO 80 HG2 PRO 80 12.690 -7.201 -6.154 661 HG3 PRO 80 HG3 PRO 80 13.236 -6.540 -4.603 662 HD2 PRO 80 HD2 PRO 80 10.490 -7.208 -5.516 663 HD3 PRO 80 HD3 PRO 80 11.175 -7.238 -3.880 664 H GLU 81 H GLU 81 9.787 -4.335 -6.810 665 HA GLU 81 HA GLU 81 10.216 -1.669 -7.784 666 HB2 GLU 81 HB2 GLU 81 8.012 -3.643 -8.392 667 HB3 GLU 81 HB3 GLU 81 8.305 -2.145 -9.260 668 HG2 GLU 81 HG2 GLU 81 10.513 -2.983 -9.931 669 HG3 GLU 81 HG3 GLU 81 10.166 -4.499 -9.103 670 H GLY 82 H GLY 82 7.679 -3.243 -5.818 671 HA2 GLY 82 HA2 GLY 82 5.934 -0.957 -5.809 672 HA3 GLY 82 HA3 GLY 82 5.856 -2.326 -4.717 673 H LEU 83 H LEU 83 8.729 -1.984 -4.023 674 HA LEU 83 HA LEU 83 8.317 -0.311 -1.734 675 HB2 LEU 83 HB2 LEU 83 9.993 -2.374 -2.272 676 HB3 LEU 83 HB3 LEU 83 11.072 -1.023 -2.535 677 HG LEU 83 HG LEU 83 11.323 -1.823 -0.271 678 HD11 LEU 83 HD11 LEU 83 9.833 0.793 -0.354 679 HD12 LEU 83 HD12 LEU 83 11.567 0.566 -0.585 680 HD13 LEU 83 HD13 LEU 83 10.832 0.224 0.983 681 HD21 LEU 83 HD21 LEU 83 9.475 -1.734 1.329 682 HD22 LEU 83 HD22 LEU 83 9.157 -2.872 0.020 683 HD23 LEU 83 HD23 LEU 83 8.375 -1.291 0.025 684 H GLU 84 H GLU 84 10.533 -0.154 -4.505 685 HA GLU 84 HA GLU 84 11.412 2.378 -4.183 686 HB2 GLU 84 HB2 GLU 84 10.848 0.961 -6.790 687 HB3 GLU 84 HB3 GLU 84 11.773 2.451 -6.667 688 HG2 GLU 84 HG2 GLU 84 13.430 1.334 -5.299 689 HG3 GLU 84 HG3 GLU 84 12.487 -0.149 -5.352 690 H LEU 85 H LEU 85 8.498 1.448 -5.963 691 HA LEU 85 HA LEU 85 7.929 4.068 -6.967 692 HB2 LEU 85 HB2 LEU 85 6.958 1.502 -7.402 693 HB3 LEU 85 HB3 LEU 85 5.644 2.310 -6.574 694 HG LEU 85 HG LEU 85 6.961 3.271 -9.114 695 HD11 LEU 85 HD11 LEU 85 4.269 2.001 -8.645 696 HD12 LEU 85 HD12 LEU 85 5.640 1.261 -9.470 697 HD13 LEU 85 HD13 LEU 85 4.841 2.667 -10.174 698 HD21 LEU 85 HD21 LEU 85 6.141 5.116 -7.754 699 HD22 LEU 85 HD22 LEU 85 4.569 4.329 -7.614 700 HD23 LEU 85 HD23 LEU 85 5.134 4.896 -9.186 701 H ALA 86 H ALA 86 6.886 2.104 -4.202 702 HA ALA 86 HA ALA 86 4.902 3.941 -3.265 703 HB1 ALA 86 HB1 ALA 86 4.943 2.652 -1.206 704 HB2 ALA 86 HB2 ALA 86 6.406 1.822 -1.736 705 HB3 ALA 86 HB3 ALA 86 4.891 1.583 -2.607 706 H GLN 87 H GLN 87 8.352 3.575 -2.818 707 HA GLN 87 HA GLN 87 8.681 5.183 -0.515 708 HB2 GLN 87 HB2 GLN 87 10.396 3.664 -1.723 709 HB3 GLN 87 HB3 GLN 87 10.660 5.040 -2.783 710 HG2 GLN 87 HG2 GLN 87 11.206 6.392 -0.759 711 HG3 GLN 87 HG3 GLN 87 11.117 4.903 0.182 712 HE21 GLN 87 HE21 GLN 87 12.896 6.678 -2.219 713 HE22 GLN 87 HE22 GLN 87 14.329 5.716 -2.160 714 H LYS 88 H LYS 88 8.620 5.862 -3.967 715 HA LYS 88 HA LYS 88 8.950 8.591 -3.816 716 HB2 LYS 88 HB2 LYS 88 7.301 7.200 -5.919 717 HB3 LYS 88 HB3 LYS 88 8.296 8.636 -6.091 718 HG2 LYS 88 HG2 LYS 88 10.308 7.321 -5.792 719 HG3 LYS 88 HG3 LYS 88 9.345 5.883 -5.501 720 HD2 LYS 88 HD2 LYS 88 8.390 6.164 -7.803 721 HD3 LYS 88 HD3 LYS 88 9.591 7.430 -8.068 722 HE2 LYS 88 HE2 LYS 88 11.384 5.822 -7.616 723 HE3 LYS 88 HE3 LYS 88 10.186 4.554 -7.348 724 HZ1 LYS 88 HZ1 LYS 88 10.614 6.024 -9.897 725 HZ2 LYS 88 HZ2 LYS 88 9.463 4.810 -9.642 726 HZ3 LYS 88 HZ3 LYS 88 11.113 4.440 -9.574 727 H LEU 89 H LEU 89 5.965 6.696 -3.687 728 HA LEU 89 HA LEU 89 4.131 8.848 -4.043 729 HB2 LEU 89 HB2 LEU 89 3.984 6.068 -2.919 730 HB3 LEU 89 HB3 LEU 89 2.632 7.169 -2.754 731 HG LEU 89 HG LEU 89 2.442 7.335 -5.175 732 HD11 LEU 89 HD11 LEU 89 4.838 7.022 -5.690 733 HD12 LEU 89 HD12 LEU 89 3.767 6.030 -6.679 734 HD13 LEU 89 HD13 LEU 89 4.647 5.306 -5.335 735 HD21 LEU 89 HD21 LEU 89 1.626 5.114 -5.618 736 HD22 LEU 89 HD22 LEU 89 1.262 5.542 -3.946 737 HD23 LEU 89 HD23 LEU 89 2.606 4.459 -4.305 738 H ALA 90 H ALA 90 5.965 7.478 -1.443 739 HA ALA 90 HA ALA 90 4.607 8.692 0.708 740 HB1 ALA 90 HB1 ALA 90 7.488 7.814 0.564 741 HB2 ALA 90 HB2 ALA 90 6.118 6.780 0.968 742 HB3 ALA 90 HB3 ALA 90 6.563 8.113 2.034 743 H GLU 91 H GLU 91 7.311 9.743 -1.275 744 HA GLU 91 HA GLU 91 8.152 11.957 0.102 745 HB2 GLU 91 HB2 GLU 91 7.824 12.022 -2.890 746 HB3 GLU 91 HB3 GLU 91 9.068 12.795 -1.915 747 HG2 GLU 91 HG2 GLU 91 10.001 10.623 -1.360 748 HG3 GLU 91 HG3 GLU 91 8.732 9.842 -2.301 749 H SER 92 H SER 92 5.570 11.817 -2.307 750 HA SER 92 HA SER 92 4.705 14.410 -2.152 751 HB2 SER 92 HB2 SER 92 3.974 12.810 -3.858 752 HB3 SER 92 HB3 SER 92 3.041 11.932 -2.647 753 HG SER 92 HG SER 92 2.358 14.127 -4.054 754 H GLU 93 H GLU 93 4.240 11.888 0.168 755 HA GLU 93 HA GLU 93 1.994 13.263 1.463 756 HB2 GLU 93 HB2 GLU 93 3.310 10.703 2.349 757 HB3 GLU 93 HB3 GLU 93 1.722 11.310 2.783 758 HG2 GLU 93 HG2 GLU 93 2.459 10.502 -0.009 759 HG3 GLU 93 HG3 GLU 93 1.770 9.391 1.174 760 H GLY 94 H GLY 94 5.343 13.137 1.440 761 HA2 GLY 94 HA2 GLY 94 6.715 14.603 2.722 762 HA3 GLY 94 HA3 GLY 94 5.424 14.713 3.917 763 H LEU 95 H LEU 95 5.432 11.616 3.027 764 HA LEU 95 HA LEU 95 6.163 9.656 3.870 765 HB2 LEU 95 HB2 LEU 95 8.469 11.110 3.395 766 HB3 LEU 95 HB3 LEU 95 8.661 10.570 5.053 767 HG LEU 95 HG LEU 95 8.381 8.900 2.568 768 HD11 LEU 95 HD11 LEU 95 10.620 9.632 3.158 769 HD12 LEU 95 HD12 LEU 95 10.450 7.892 3.387 770 HD13 LEU 95 HD13 LEU 95 10.424 8.971 4.781 771 HD21 LEU 95 HD21 LEU 95 8.329 6.920 4.053 772 HD22 LEU 95 HD22 LEU 95 6.867 7.903 4.149 773 HD23 LEU 95 HD23 LEU 95 8.080 7.996 5.429 774 H SER 96 H SER 96 4.506 11.232 5.424 775 HA SER 96 HA SER 96 5.545 10.917 8.160 776 HB2 SER 96 HB2 SER 96 4.950 13.251 7.642 777 HB3 SER 96 HB3 SER 96 3.327 12.737 7.183 778 HG SER 96 HG SER 96 3.118 13.348 9.259 779 H LEU 97 H LEU 97 4.460 8.814 6.496 780 HA LEU 97 HA LEU 97 1.690 8.408 7.282 781 HB2 LEU 97 HB2 LEU 97 3.578 6.593 5.781 782 HB3 LEU 97 HB3 LEU 97 1.868 6.305 6.032 783 HG LEU 97 HG LEU 97 1.502 8.519 4.769 784 HD11 LEU 97 HD11 LEU 97 3.294 9.026 3.132 785 HD12 LEU 97 HD12 LEU 97 4.355 7.921 4.004 786 HD13 LEU 97 HD13 LEU 97 3.749 9.372 4.800 787 HD21 LEU 97 HD21 LEU 97 2.600 6.105 3.335 788 HD22 LEU 97 HD22 LEU 97 1.604 7.370 2.615 789 HD23 LEU 97 HD23 LEU 97 0.935 6.330 3.871 790 H LEU 98 H LEU 98 4.400 6.119 7.386 791 HA LEU 98 HA LEU 98 3.663 4.592 9.433 792 HB2 LEU 98 HB2 LEU 98 5.846 4.580 8.033 793 HB3 LEU 98 HB3 LEU 98 6.520 5.510 9.355 794 HG LEU 98 HG LEU 98 5.288 2.772 9.681 795 HD11 LEU 98 HD11 LEU 98 7.261 2.639 8.266 796 HD12 LEU 98 HD12 LEU 98 7.585 1.953 9.858 797 HD13 LEU 98 HD13 LEU 98 8.190 3.559 9.450 798 HD21 LEU 98 HD21 LEU 98 5.246 4.057 11.724 799 HD22 LEU 98 HD22 LEU 98 6.943 4.494 11.524 800 HD23 LEU 98 HD23 LEU 98 6.495 2.817 11.838 801 H ASN 99 H ASN 99 5.624 7.532 9.914 802 HA ASN 99 HA ASN 99 4.906 7.482 12.757 803 HB2 ASN 99 HB2 ASN 99 6.729 9.129 13.041 804 HB3 ASN 99 HB3 ASN 99 7.293 7.634 12.302 805 HD21 ASN 99 HD21 ASN 99 6.646 11.005 11.822 806 HD22 ASN 99 HD22 ASN 99 7.461 11.157 10.307 807 H VAL 100 H VAL 100 3.421 8.825 13.526 808 HA VAL 100 HA VAL 100 2.843 11.299 12.038 809 HB VAL 100 HB VAL 100 0.454 11.039 12.576 810 HG11 VAL 100 HG11 VAL 100 -0.037 9.258 10.959 811 HG12 VAL 100 HG12 VAL 100 1.640 8.717 11.058 812 HG13 VAL 100 HG13 VAL 100 1.265 10.311 10.404 813 HG21 VAL 100 HG21 VAL 100 1.263 8.307 13.571 814 HG22 VAL 100 HG22 VAL 100 -0.393 8.875 13.363 815 HG23 VAL 100 HG23 VAL 100 0.657 9.638 14.557 816 H GLY 101 H GLY 101 3.200 9.675 15.078 817 HA2 GLY 101 HA2 GLY 101 4.019 11.296 16.818 818 HA3 GLY 101 HA3 GLY 101 2.529 12.174 16.504 819 H ILE 102 H ILE 102 3.172 11.367 19.053 820 HA ILE 102 HA ILE 102 0.983 9.486 19.573 821 HB ILE 102 HB ILE 102 3.014 8.151 19.676 822 HG12 ILE 102 HG12 ILE 102 2.829 7.346 22.024 823 HG13 ILE 102 HG13 ILE 102 1.872 8.773 22.410 824 HG21 ILE 102 HG21 ILE 102 3.959 10.144 21.730 825 HG22 ILE 102 HG22 ILE 102 4.619 9.918 20.111 826 HG23 ILE 102 HG23 ILE 102 4.773 8.637 21.312 827 HD11 ILE 102 HD11 ILE 102 1.120 6.626 20.440 828 HD12 ILE 102 HD12 ILE 102 0.157 8.050 20.836 829 HD13 ILE 102 HD13 ILE 102 0.466 6.824 22.066 830 H GLY 103 H GLY 103 -0.165 9.862 21.445 831 HA2 GLY 103 HA2 GLY 103 0.729 11.666 23.456 832 HA3 GLY 103 HA3 GLY 103 -0.426 12.450 22.388 Start of MODEL 9 1 H GLY 1 H GLY 1 11.361 5.418 -13.860 2 HA2 GLY 1 HA2 GLY 1 8.957 5.544 -13.936 3 HA3 GLY 1 HA3 GLY 1 9.698 6.907 -14.761 4 H SER 2 H SER 2 7.639 4.189 -15.045 5 HA SER 2 HA SER 2 6.928 5.010 -17.748 6 HB2 SER 2 HB2 SER 2 7.710 2.163 -17.073 7 HB3 SER 2 HB3 SER 2 7.010 2.692 -18.603 8 HG SER 2 HG SER 2 9.570 3.114 -17.566 9 H TYR 3 H TYR 3 6.251 3.248 -14.820 10 HA TYR 3 HA TYR 3 3.511 2.693 -15.645 11 HB2 TYR 3 HB2 TYR 3 4.824 0.975 -14.417 12 HB3 TYR 3 HB3 TYR 3 4.899 2.059 -13.033 13 HD1 TYR 3 HD1 TYR 3 2.638 0.017 -15.118 14 HD2 TYR 3 HD2 TYR 3 3.060 2.271 -11.534 15 HE1 TYR 3 HE1 TYR 3 0.506 -0.896 -14.300 16 HE2 TYR 3 HE2 TYR 3 0.929 1.363 -10.705 17 HH TYR 3 HH TYR 3 -0.632 -1.277 -12.155 18 H TRP 4 H TRP 4 4.998 4.143 -12.741 19 HA TRP 4 HA TRP 4 4.034 5.468 -11.113 20 HB2 TRP 4 HB2 TRP 4 5.038 6.901 -12.892 21 HB3 TRP 4 HB3 TRP 4 3.437 7.052 -13.613 22 HD1 TRP 4 HD1 TRP 4 1.909 8.928 -12.684 23 HE1 TRP 4 HE1 TRP 4 2.080 10.608 -10.740 24 HE3 TRP 4 HE3 TRP 4 6.070 7.070 -10.372 25 HZ2 TRP 4 HZ2 TRP 4 3.758 11.079 -8.515 26 HZ3 TRP 4 HZ3 TRP 4 6.892 8.189 -8.343 27 HH2 TRP 4 HH2 TRP 4 5.761 10.151 -7.433 28 HA PRO 5 HA PRO 5 -0.363 4.214 -11.259 29 HB2 PRO 5 HB2 PRO 5 -0.113 4.921 -8.392 30 HB3 PRO 5 HB3 PRO 5 -0.742 3.448 -9.137 31 HG2 PRO 5 HG2 PRO 5 1.634 3.473 -7.914 32 HG3 PRO 5 HG3 PRO 5 1.361 2.514 -9.381 33 HD2 PRO 5 HD2 PRO 5 2.766 5.135 -9.061 34 HD3 PRO 5 HD3 PRO 5 3.177 3.754 -10.099 35 H ALA 6 H ALA 6 -2.347 5.373 -10.650 36 HA ALA 6 HA ALA 6 -2.110 8.168 -11.278 37 HB1 ALA 6 HB1 ALA 6 -4.554 8.189 -11.139 38 HB2 ALA 6 HB2 ALA 6 -4.530 6.544 -10.506 39 HB3 ALA 6 HB3 ALA 6 -3.973 6.864 -12.148 40 H ARG 7 H ARG 7 -3.690 9.641 -9.871 41 HA ARG 7 HA ARG 7 -2.502 9.664 -7.228 42 HB2 ARG 7 HB2 ARG 7 -4.329 11.633 -8.612 43 HB3 ARG 7 HB3 ARG 7 -3.621 11.877 -7.020 44 HG2 ARG 7 HG2 ARG 7 -1.377 11.756 -8.027 45 HG3 ARG 7 HG3 ARG 7 -2.125 11.596 -9.618 46 HD2 ARG 7 HD2 ARG 7 -3.187 13.772 -9.352 47 HD3 ARG 7 HD3 ARG 7 -2.495 13.927 -7.738 48 HE ARG 7 HE ARG 7 -0.499 13.512 -9.738 49 HH11 ARG 7 HH11 ARG 7 -2.551 15.913 -8.267 50 HH12 ARG 7 HH12 ARG 7 -1.499 17.234 -8.652 51 HH21 ARG 7 HH21 ARG 7 0.892 15.243 -10.248 52 HH22 ARG 7 HH22 ARG 7 0.459 16.853 -9.779 53 H HIS 8 H HIS 8 -3.488 9.211 -5.355 54 HA HIS 8 HA HIS 8 -5.029 8.446 -3.869 55 HB2 HIS 8 HB2 HIS 8 -6.953 9.927 -5.678 56 HB3 HIS 8 HB3 HIS 8 -7.342 9.313 -4.074 57 HD1 HIS 8 HD1 HIS 8 -6.737 10.760 -2.109 58 HD2 HIS 8 HD2 HIS 8 -5.058 12.100 -5.666 59 HE1 HIS 8 HE1 HIS 8 -5.741 13.007 -1.577 60 HE2 HIS 8 HE2 HIS 8 -4.809 13.837 -3.766 61 H SER 9 H SER 9 -4.549 7.125 -6.662 62 HA SER 9 HA SER 9 -6.948 5.616 -7.150 63 HB2 SER 9 HB2 SER 9 -5.544 4.343 -8.737 64 HB3 SER 9 HB3 SER 9 -5.401 6.083 -8.988 65 HG SER 9 HG SER 9 -3.340 5.593 -8.884 66 H GLY 10 H GLY 10 -6.842 3.176 -7.132 67 HA2 GLY 10 HA2 GLY 10 -6.483 2.305 -4.460 68 HA3 GLY 10 HA3 GLY 10 -6.808 1.275 -5.846 69 H ALA 11 H ALA 11 -4.709 1.370 -7.413 70 HA ALA 11 HA ALA 11 -2.775 -0.156 -6.237 71 HB1 ALA 11 HB1 ALA 11 -2.425 1.635 -8.636 72 HB2 ALA 11 HB2 ALA 11 -3.081 -0.004 -8.644 73 HB3 ALA 11 HB3 ALA 11 -1.393 0.270 -8.207 74 H ARG 12 H ARG 12 -2.992 3.326 -6.174 75 HA ARG 12 HA ARG 12 -0.199 3.766 -5.548 76 HB2 ARG 12 HB2 ARG 12 -1.158 5.621 -6.600 77 HB3 ARG 12 HB3 ARG 12 -2.644 5.509 -5.676 78 HG2 ARG 12 HG2 ARG 12 -1.472 6.263 -3.686 79 HG3 ARG 12 HG3 ARG 12 0.038 6.343 -4.589 80 HD2 ARG 12 HD2 ARG 12 -1.004 8.023 -6.085 81 HD3 ARG 12 HD3 ARG 12 -2.440 7.992 -5.061 82 HE ARG 12 HE ARG 12 -0.088 8.530 -3.550 83 HH11 ARG 12 HH11 ARG 12 -2.410 10.001 -5.690 84 HH12 ARG 12 HH12 ARG 12 -2.167 11.597 -5.064 85 HH21 ARG 12 HH21 ARG 12 0.238 10.624 -2.722 86 HH22 ARG 12 HH22 ARG 12 -0.662 11.952 -3.377 87 H VAL 13 H VAL 13 -3.310 3.925 -3.873 88 HA VAL 13 HA VAL 13 -2.317 4.717 -1.373 89 HB VAL 13 HB VAL 13 -4.815 3.166 -2.053 90 HG11 VAL 13 HG11 VAL 13 -4.030 4.540 0.512 91 HG12 VAL 13 HG12 VAL 13 -4.238 2.806 0.268 92 HG13 VAL 13 HG13 VAL 13 -5.627 3.886 0.156 93 HG21 VAL 13 HG21 VAL 13 -5.920 5.358 -1.716 94 HG22 VAL 13 HG22 VAL 13 -4.811 5.336 -3.087 95 HG23 VAL 13 HG23 VAL 13 -4.326 6.099 -1.573 96 H ILE 14 H ILE 14 -2.868 1.510 -2.793 97 HA ILE 14 HA ILE 14 -2.288 0.104 -0.463 98 HB ILE 14 HB ILE 14 -2.130 -1.879 -1.808 99 HG12 ILE 14 HG12 ILE 14 -2.099 -0.040 -4.207 100 HG13 ILE 14 HG13 ILE 14 -0.746 -1.016 -3.649 101 HG21 ILE 14 HG21 ILE 14 -4.248 -0.002 -2.813 102 HG22 ILE 14 HG22 ILE 14 -4.335 -1.012 -1.375 103 HG23 ILE 14 HG23 ILE 14 -4.283 -1.756 -2.971 104 HD11 ILE 14 HD11 ILE 14 -3.374 -2.103 -4.627 105 HD12 ILE 14 HD12 ILE 14 -1.956 -3.042 -4.156 106 HD13 ILE 14 HD13 ILE 14 -1.892 -1.997 -5.575 107 H LEU 15 H LEU 15 -0.061 0.293 -3.303 108 HA LEU 15 HA LEU 15 2.066 -0.680 -2.042 109 HB2 LEU 15 HB2 LEU 15 2.262 1.583 -4.021 110 HB3 LEU 15 HB3 LEU 15 3.509 0.415 -3.654 111 HG LEU 15 HG LEU 15 0.858 -0.495 -4.713 112 HD11 LEU 15 HD11 LEU 15 1.639 1.219 -6.257 113 HD12 LEU 15 HD12 LEU 15 1.769 -0.388 -6.970 114 HD13 LEU 15 HD13 LEU 15 3.209 0.423 -6.357 115 HD21 LEU 15 HD21 LEU 15 2.382 -2.164 -3.801 116 HD22 LEU 15 HD22 LEU 15 3.660 -1.599 -4.877 117 HD23 LEU 15 HD23 LEU 15 2.212 -2.352 -5.546 118 H LEU 16 H LEU 16 0.834 2.519 -1.485 119 HA LEU 16 HA LEU 16 3.301 3.578 -0.403 120 HB2 LEU 16 HB2 LEU 16 1.805 5.099 -1.523 121 HB3 LEU 16 HB3 LEU 16 0.466 4.590 -0.513 122 HG LEU 16 HG LEU 16 1.647 5.519 1.449 123 HD11 LEU 16 HD11 LEU 16 3.921 5.402 0.558 124 HD12 LEU 16 HD12 LEU 16 3.522 7.035 1.094 125 HD13 LEU 16 HD13 LEU 16 3.521 6.643 -0.627 126 HD21 LEU 16 HD21 LEU 16 1.186 7.502 -0.768 127 HD22 LEU 16 HD22 LEU 16 1.089 7.809 0.968 128 HD23 LEU 16 HD23 LEU 16 -0.085 6.745 0.190 129 H VAL 17 H VAL 17 0.188 2.352 0.666 130 HA VAL 17 HA VAL 17 0.666 2.821 3.430 131 HB VAL 17 HB VAL 17 -1.561 2.645 2.296 132 HG11 VAL 17 HG11 VAL 17 -2.582 0.411 2.183 133 HG12 VAL 17 HG12 VAL 17 -0.993 -0.294 2.474 134 HG13 VAL 17 HG13 VAL 17 -1.284 0.656 1.014 135 HG21 VAL 17 HG21 VAL 17 -1.256 0.861 4.697 136 HG22 VAL 17 HG22 VAL 17 -2.658 1.832 4.242 137 HG23 VAL 17 HG23 VAL 17 -1.170 2.622 4.763 138 H LEU 18 H LEU 18 0.755 -0.155 1.422 139 HA LEU 18 HA LEU 18 1.699 -1.840 3.340 140 HB2 LEU 18 HB2 LEU 18 2.069 -1.712 0.374 141 HB3 LEU 18 HB3 LEU 18 2.986 -2.899 1.282 142 HG LEU 18 HG LEU 18 0.904 -3.763 0.281 143 HD11 LEU 18 HD11 LEU 18 0.989 -3.827 3.291 144 HD12 LEU 18 HD12 LEU 18 1.951 -4.839 2.214 145 HD13 LEU 18 HD13 LEU 18 0.196 -5.007 2.247 146 HD21 LEU 18 HD21 LEU 18 -0.410 -1.917 2.255 147 HD22 LEU 18 HD22 LEU 18 -1.228 -3.234 1.417 148 HD23 LEU 18 HD23 LEU 18 -0.563 -1.888 0.498 149 H TYR 19 H TYR 19 3.285 0.714 1.715 150 HA TYR 19 HA TYR 19 5.994 -0.042 1.897 151 HB2 TYR 19 HB2 TYR 19 5.313 1.831 0.530 152 HB3 TYR 19 HB3 TYR 19 4.688 2.677 1.934 153 HD1 TYR 19 HD1 TYR 19 7.809 1.501 0.321 154 HD2 TYR 19 HD2 TYR 19 6.071 4.045 3.256 155 HE1 TYR 19 HE1 TYR 19 9.970 2.642 0.606 156 HE2 TYR 19 HE2 TYR 19 8.225 5.191 3.549 157 HH TYR 19 HH TYR 19 10.814 4.823 1.401 158 H ARG 20 H ARG 20 4.352 2.338 4.012 159 HA ARG 20 HA ARG 20 6.195 2.315 5.966 160 HB2 ARG 20 HB2 ARG 20 4.399 3.019 7.559 161 HB3 ARG 20 HB3 ARG 20 4.430 3.908 6.044 162 HG2 ARG 20 HG2 ARG 20 2.608 2.355 5.242 163 HG3 ARG 20 HG3 ARG 20 2.486 1.792 6.911 164 HD2 ARG 20 HD2 ARG 20 2.079 4.112 7.633 165 HD3 ARG 20 HD3 ARG 20 2.121 4.621 5.945 166 HE ARG 20 HE ARG 20 0.219 2.587 6.202 167 HH11 ARG 20 HH11 ARG 20 0.729 5.881 7.218 168 HH12 ARG 20 HH12 ARG 20 -0.962 6.254 7.298 169 HH21 ARG 20 HH21 ARG 20 -2.008 3.070 6.305 170 HH22 ARG 20 HH22 ARG 20 -2.516 4.657 6.778 171 H GLU 21 H GLU 21 3.226 0.358 6.427 172 HA GLU 21 HA GLU 21 4.059 -1.126 8.431 173 HB2 GLU 21 HB2 GLU 21 1.813 -1.257 7.335 174 HB3 GLU 21 HB3 GLU 21 2.508 -2.379 6.171 175 HG2 GLU 21 HG2 GLU 21 1.309 -3.522 7.970 176 HG3 GLU 21 HG3 GLU 21 3.016 -3.952 7.927 177 H HIS 22 H HIS 22 5.379 -1.441 5.276 178 HA HIS 22 HA HIS 22 6.261 -4.192 5.545 179 HB2 HIS 22 HB2 HIS 22 5.911 -3.449 3.312 180 HB3 HIS 22 HB3 HIS 22 6.873 -2.002 3.561 181 HD1 HIS 22 HD1 HIS 22 7.084 -5.443 2.376 182 HD2 HIS 22 HD2 HIS 22 9.727 -2.578 3.817 183 HE1 HIS 22 HE1 HIS 22 9.370 -6.217 1.671 184 HE2 HIS 22 HE2 HIS 22 10.959 -4.516 2.631 185 H LEU 23 H LEU 23 7.694 -0.951 5.619 186 HA LEU 23 HA LEU 23 10.202 -1.896 6.552 187 HB2 LEU 23 HB2 LEU 23 9.135 0.921 6.647 188 HB3 LEU 23 HB3 LEU 23 10.818 0.426 6.664 189 HG LEU 23 HG LEU 23 9.461 -0.592 4.320 190 HD11 LEU 23 HD11 LEU 23 8.161 1.554 4.841 191 HD12 LEU 23 HD12 LEU 23 8.840 1.363 3.226 192 HD13 LEU 23 HD13 LEU 23 9.649 2.396 4.407 193 HD21 LEU 23 HD21 LEU 23 11.785 1.288 4.700 194 HD22 LEU 23 HD22 LEU 23 11.346 0.477 3.196 195 HD23 LEU 23 HD23 LEU 23 11.878 -0.469 4.586 196 H ASN 24 H ASN 24 7.464 -2.028 8.178 197 HA ASN 24 HA ASN 24 8.170 -0.740 10.632 198 HB2 ASN 24 HB2 ASN 24 5.910 -2.385 9.657 199 HB3 ASN 24 HB3 ASN 24 6.222 -2.431 11.393 200 HD21 ASN 24 HD21 ASN 24 6.126 -0.508 12.588 201 HD22 ASN 24 HD22 ASN 24 5.244 0.857 12.007 202 HA PRO 25 HA PRO 25 10.838 -4.177 11.877 203 HB2 PRO 25 HB2 PRO 25 11.391 -2.461 14.184 204 HB3 PRO 25 HB3 PRO 25 12.501 -3.071 12.958 205 HG2 PRO 25 HG2 PRO 25 11.796 -0.467 13.113 206 HG3 PRO 25 HG3 PRO 25 12.180 -1.263 11.576 207 HD2 PRO 25 HD2 PRO 25 9.507 -0.584 12.743 208 HD3 PRO 25 HD3 PRO 25 10.063 -0.491 11.064 209 H ASN 26 H ASN 26 8.809 -2.260 14.049 210 HA ASN 26 HA ASN 26 8.522 -4.441 15.929 211 HB2 ASN 26 HB2 ASN 26 7.191 -2.879 17.236 212 HB3 ASN 26 HB3 ASN 26 8.670 -2.086 16.701 213 HD21 ASN 26 HD21 ASN 26 8.563 -0.487 15.127 214 HD22 ASN 26 HD22 ASN 26 7.080 0.296 14.716 215 H GLY 27 H GLY 27 7.513 -4.666 13.132 216 HA2 GLY 27 HA2 GLY 27 4.856 -5.519 13.743 217 HA3 GLY 27 HA3 GLY 27 4.880 -4.210 12.569 218 H HIS 28 H HIS 28 3.842 -5.969 11.264 219 HA HIS 28 HA HIS 28 5.718 -7.988 10.275 220 HB2 HIS 28 HB2 HIS 28 2.765 -7.611 9.727 221 HB3 HIS 28 HB3 HIS 28 3.756 -8.921 9.092 222 HD1 HIS 28 HD1 HIS 28 4.121 -10.921 10.579 223 HD2 HIS 28 HD2 HIS 28 2.335 -7.740 12.568 224 HE1 HIS 28 HE1 HIS 28 3.419 -11.835 12.815 225 HE2 HIS 28 HE2 HIS 28 2.255 -9.917 13.961 226 H HIS 29 H HIS 29 6.319 -8.110 8.116 227 HA HIS 29 HA HIS 29 6.432 -5.597 6.724 228 HB2 HIS 29 HB2 HIS 29 7.326 -8.326 5.768 229 HB3 HIS 29 HB3 HIS 29 7.835 -6.766 5.130 230 HD1 HIS 29 HD1 HIS 29 8.215 -8.943 8.191 231 HD2 HIS 29 HD2 HIS 29 9.970 -5.614 6.429 232 HE1 HIS 29 HE1 HIS 29 10.308 -8.506 9.515 233 HE2 HIS 29 HE2 HIS 29 11.398 -6.540 8.376 234 H PHE 30 H PHE 30 3.778 -6.523 7.054 235 HA PHE 30 HA PHE 30 2.777 -6.333 4.427 236 HB2 PHE 30 HB2 PHE 30 1.693 -8.559 4.254 237 HB3 PHE 30 HB3 PHE 30 3.447 -8.658 4.194 238 HD1 PHE 30 HD1 PHE 30 0.485 -9.224 6.309 239 HD2 PHE 30 HD2 PHE 30 4.669 -9.848 5.845 240 HE1 PHE 30 HE1 PHE 30 0.441 -10.852 8.152 241 HE2 PHE 30 HE2 PHE 30 4.632 -11.478 7.689 242 HZ PHE 30 HZ PHE 30 2.515 -11.981 8.845 243 H LEU 31 H LEU 31 0.309 -7.078 4.463 244 HA LEU 31 HA LEU 31 -0.948 -6.824 7.082 245 HB2 LEU 31 HB2 LEU 31 -1.109 -4.857 4.831 246 HB3 LEU 31 HB3 LEU 31 -2.464 -5.063 5.917 247 HG LEU 31 HG LEU 31 0.315 -4.285 6.773 248 HD11 LEU 31 HD11 LEU 31 -0.699 -2.528 5.444 249 HD12 LEU 31 HD12 LEU 31 -0.639 -2.060 7.143 250 HD13 LEU 31 HD13 LEU 31 -2.158 -2.604 6.430 251 HD21 LEU 31 HD21 LEU 31 -0.750 -3.759 8.912 252 HD22 LEU 31 HD22 LEU 31 -0.922 -5.466 8.507 253 HD23 LEU 31 HD23 LEU 31 -2.286 -4.368 8.294 254 H THR 32 H THR 32 -3.298 -7.169 6.977 255 HA THR 32 HA THR 32 -3.968 -9.104 4.894 256 HB THR 32 HB THR 32 -5.862 -9.728 6.337 257 HG1 THR 32 HG1 THR 32 -6.235 -7.708 7.334 258 HG21 THR 32 HG21 THR 32 -3.230 -9.585 7.812 259 HG22 THR 32 HG22 THR 32 -3.718 -10.845 6.680 260 HG23 THR 32 HG23 THR 32 -4.574 -10.656 8.211 261 H LYS 33 H LYS 33 -6.264 -9.056 4.065 262 HA LYS 33 HA LYS 33 -6.657 -6.604 2.669 263 HB2 LYS 33 HB2 LYS 33 -7.477 -9.148 2.265 264 HB3 LYS 33 HB3 LYS 33 -8.939 -8.462 2.955 265 HG2 LYS 33 HG2 LYS 33 -7.486 -7.290 0.594 266 HG3 LYS 33 HG3 LYS 33 -8.846 -8.407 0.469 267 HD2 LYS 33 HD2 LYS 33 -10.267 -6.824 1.666 268 HD3 LYS 33 HD3 LYS 33 -8.906 -5.717 1.837 269 HE2 LYS 33 HE2 LYS 33 -8.796 -5.393 -0.542 270 HE3 LYS 33 HE3 LYS 33 -10.013 -6.641 -0.810 271 HZ1 LYS 33 HZ1 LYS 33 -11.630 -5.261 0.335 272 HZ2 LYS 33 HZ2 LYS 33 -10.958 -4.425 -0.974 273 HZ3 LYS 33 HZ3 LYS 33 -10.460 -4.069 0.603 274 H GLU 34 H GLU 34 -7.872 -7.953 5.652 275 HA GLU 34 HA GLU 34 -9.952 -6.036 5.980 276 HB2 GLU 34 HB2 GLU 34 -8.636 -7.822 8.033 277 HB3 GLU 34 HB3 GLU 34 -10.156 -6.966 8.237 278 HG2 GLU 34 HG2 GLU 34 -9.626 -9.120 6.205 279 HG3 GLU 34 HG3 GLU 34 -10.485 -9.332 7.728 280 H GLU 35 H GLU 35 -6.596 -6.208 7.074 281 HA GLU 35 HA GLU 35 -6.936 -4.017 8.965 282 HB2 GLU 35 HB2 GLU 35 -4.450 -5.456 8.010 283 HB3 GLU 35 HB3 GLU 35 -4.477 -4.197 9.237 284 HG2 GLU 35 HG2 GLU 35 -5.866 -5.598 10.662 285 HG3 GLU 35 HG3 GLU 35 -5.871 -6.856 9.430 286 H LEU 36 H LEU 36 -6.258 -4.556 5.679 287 HA LEU 36 HA LEU 36 -4.583 -2.292 5.135 288 HB2 LEU 36 HB2 LEU 36 -6.229 -4.152 3.449 289 HB3 LEU 36 HB3 LEU 36 -5.344 -2.804 2.780 290 HG LEU 36 HG LEU 36 -4.034 -4.955 4.391 291 HD11 LEU 36 HD11 LEU 36 -4.971 -6.080 2.517 292 HD12 LEU 36 HD12 LEU 36 -3.255 -5.847 2.191 293 HD13 LEU 36 HD13 LEU 36 -4.449 -4.808 1.418 294 HD21 LEU 36 HD21 LEU 36 -2.951 -2.896 2.480 295 HD22 LEU 36 HD22 LEU 36 -1.999 -4.132 3.303 296 HD23 LEU 36 HD23 LEU 36 -2.801 -2.868 4.237 297 H LEU 37 H LEU 37 -7.989 -3.066 4.613 298 HA LEU 37 HA LEU 37 -8.846 -0.729 3.397 299 HB2 LEU 37 HB2 LEU 37 -10.251 -2.607 5.287 300 HB3 LEU 37 HB3 LEU 37 -11.071 -1.275 4.499 301 HG LEU 37 HG LEU 37 -9.706 -3.550 3.058 302 HD11 LEU 37 HD11 LEU 37 -11.970 -4.303 2.529 303 HD12 LEU 37 HD12 LEU 37 -12.634 -3.022 3.544 304 HD13 LEU 37 HD13 LEU 37 -11.676 -4.315 4.268 305 HD21 LEU 37 HD21 LEU 37 -10.877 -2.654 1.088 306 HD22 LEU 37 HD22 LEU 37 -9.712 -1.509 1.751 307 HD23 LEU 37 HD23 LEU 37 -11.436 -1.291 2.057 308 H GLN 38 H GLN 38 -7.933 -1.290 6.688 309 HA GLN 38 HA GLN 38 -9.361 1.016 7.757 310 HB2 GLN 38 HB2 GLN 38 -7.298 -0.801 9.024 311 HB3 GLN 38 HB3 GLN 38 -8.162 0.486 9.855 312 HG2 GLN 38 HG2 GLN 38 -10.275 -0.672 9.448 313 HG3 GLN 38 HG3 GLN 38 -9.404 -1.964 8.624 314 HE21 GLN 38 HE21 GLN 38 -10.109 -0.472 11.680 315 HE22 GLN 38 HE22 GLN 38 -9.507 -1.750 12.675 316 H ARG 39 H ARG 39 -6.056 -0.035 7.101 317 HA ARG 39 HA ARG 39 -4.654 2.203 7.695 318 HB2 ARG 39 HB2 ARG 39 -4.194 0.502 5.248 319 HB3 ARG 39 HB3 ARG 39 -2.996 1.469 6.097 320 HG2 ARG 39 HG2 ARG 39 -4.455 -0.762 7.427 321 HG3 ARG 39 HG3 ARG 39 -2.995 -1.036 6.484 322 HD2 ARG 39 HD2 ARG 39 -2.262 -0.815 8.704 323 HD3 ARG 39 HD3 ARG 39 -1.904 0.732 7.942 324 HE ARG 39 HE ARG 39 -4.380 1.061 9.060 325 HH11 ARG 39 HH11 ARG 39 -1.230 0.141 10.234 326 HH12 ARG 39 HH12 ARG 39 -1.485 0.801 11.815 327 HH21 ARG 39 HH21 ARG 39 -4.723 1.933 11.139 328 HH22 ARG 39 HH22 ARG 39 -3.470 1.819 12.329 329 H CYS 40 H CYS 40 -6.400 1.545 4.707 330 HA CYS 40 HA CYS 40 -5.523 3.716 3.171 331 HB2 CYS 40 HB2 CYS 40 -6.819 1.880 2.209 332 HB3 CYS 40 HB3 CYS 40 -8.225 2.358 3.151 333 HG CYS 40 HG CYS 40 -7.381 3.317 0.170 334 H ALA 41 H ALA 41 -8.049 3.497 5.616 335 HA ALA 41 HA ALA 41 -9.173 5.991 5.275 336 HB1 ALA 41 HB1 ALA 41 -8.814 4.529 7.888 337 HB2 ALA 41 HB2 ALA 41 -10.107 4.244 6.724 338 HB3 ALA 41 HB3 ALA 41 -9.994 5.796 7.554 339 H GLN 42 H GLN 42 -5.995 5.747 5.663 340 HA GLN 42 HA GLN 42 -5.768 7.879 7.623 341 HB2 GLN 42 HB2 GLN 42 -3.696 5.737 7.088 342 HB3 GLN 42 HB3 GLN 42 -3.447 7.162 8.085 343 HG2 GLN 42 HG2 GLN 42 -5.194 6.386 9.616 344 HG3 GLN 42 HG3 GLN 42 -5.409 4.945 8.624 345 HE21 GLN 42 HE21 GLN 42 -3.815 3.358 8.620 346 HE22 GLN 42 HE22 GLN 42 -2.597 3.278 9.843 347 H LYS 43 H LYS 43 -4.367 6.216 4.846 348 HA LYS 43 HA LYS 43 -2.863 8.409 3.845 349 HB2 LYS 43 HB2 LYS 43 -2.467 5.976 3.367 350 HB3 LYS 43 HB3 LYS 43 -3.898 5.997 2.349 351 HG2 LYS 43 HG2 LYS 43 -1.723 7.957 1.818 352 HG3 LYS 43 HG3 LYS 43 -1.510 6.275 1.328 353 HD2 LYS 43 HD2 LYS 43 -3.638 6.395 0.096 354 HD3 LYS 43 HD3 LYS 43 -3.771 8.100 0.536 355 HE2 LYS 43 HE2 LYS 43 -1.580 8.483 -0.600 356 HE3 LYS 43 HE3 LYS 43 -1.634 6.810 -1.154 357 HZ1 LYS 43 HZ1 LYS 43 -3.659 7.292 -2.355 358 HZ2 LYS 43 HZ2 LYS 43 -2.444 8.367 -2.832 359 HZ3 LYS 43 HZ3 LYS 43 -3.666 8.885 -1.784 360 H SER 44 H SER 44 -6.170 7.485 3.644 361 HA SER 44 HA SER 44 -6.695 9.750 1.881 362 HB2 SER 44 HB2 SER 44 -7.909 7.004 1.466 363 HB3 SER 44 HB3 SER 44 -8.374 8.467 0.597 364 HG SER 44 HG SER 44 -6.899 7.363 -0.653 365 HA PRO 45 HA PRO 45 -9.594 9.526 5.475 366 HB2 PRO 45 HB2 PRO 45 -8.697 11.559 6.940 367 HB3 PRO 45 HB3 PRO 45 -7.866 9.999 6.948 368 HG2 PRO 45 HG2 PRO 45 -7.123 12.535 5.572 369 HG3 PRO 45 HG3 PRO 45 -6.079 11.313 6.318 370 HD2 PRO 45 HD2 PRO 45 -6.675 11.555 3.578 371 HD3 PRO 45 HD3 PRO 45 -5.903 10.168 4.367 372 H ARG 46 H ARG 46 -11.527 10.320 4.952 373 HA ARG 46 HA ARG 46 -13.167 11.661 4.106 374 HB2 ARG 46 HB2 ARG 46 -11.433 13.761 5.418 375 HB3 ARG 46 HB3 ARG 46 -13.119 13.972 4.964 376 HG2 ARG 46 HG2 ARG 46 -13.763 12.210 6.531 377 HG3 ARG 46 HG3 ARG 46 -12.071 12.008 6.992 378 HD2 ARG 46 HD2 ARG 46 -12.011 14.324 7.779 379 HD3 ARG 46 HD3 ARG 46 -13.701 14.526 7.316 380 HE ARG 46 HE ARG 46 -13.488 12.343 9.068 381 HH11 ARG 46 HH11 ARG 46 -13.190 15.814 9.068 382 HH12 ARG 46 HH12 ARG 46 -13.651 15.982 10.729 383 HH21 ARG 46 HH21 ARG 46 -14.096 12.554 11.255 384 HH22 ARG 46 HH22 ARG 46 -14.165 14.130 11.973 385 H VAL 47 H VAL 47 -10.727 11.250 2.383 386 HA VAL 47 HA VAL 47 -10.041 13.521 0.953 387 HB VAL 47 HB VAL 47 -9.600 11.994 -0.974 388 HG11 VAL 47 HG11 VAL 47 -7.860 10.684 0.167 389 HG12 VAL 47 HG12 VAL 47 -8.601 11.070 1.719 390 HG13 VAL 47 HG13 VAL 47 -7.906 12.354 0.731 391 HG21 VAL 47 HG21 VAL 47 -11.448 10.442 -0.642 392 HG22 VAL 47 HG22 VAL 47 -10.735 9.898 0.876 393 HG23 VAL 47 HG23 VAL 47 -9.908 9.583 -0.650 394 H ALA 48 H ALA 48 -10.762 14.336 -1.095 395 HA ALA 48 HA ALA 48 -13.321 14.991 -1.385 396 HB1 ALA 48 HB1 ALA 48 -11.507 14.408 -3.721 397 HB2 ALA 48 HB2 ALA 48 -11.524 15.897 -2.776 398 HB3 ALA 48 HB3 ALA 48 -12.929 15.450 -3.742 399 HA PRO 49 HA PRO 49 -15.771 11.416 -2.296 400 HB2 PRO 49 HB2 PRO 49 -17.492 13.248 -3.859 401 HB3 PRO 49 HB3 PRO 49 -17.899 12.228 -2.475 402 HG2 PRO 49 HG2 PRO 49 -17.701 14.881 -2.224 403 HG3 PRO 49 HG3 PRO 49 -17.156 13.789 -0.937 404 HD2 PRO 49 HD2 PRO 49 -15.543 15.278 -2.972 405 HD3 PRO 49 HD3 PRO 49 -15.203 14.995 -1.252 406 H GLY 50 H GLY 50 -17.131 10.640 -4.370 407 HA2 GLY 50 HA2 GLY 50 -16.942 9.697 -6.453 408 HA3 GLY 50 HA3 GLY 50 -16.210 11.225 -6.921 409 H SER 51 H SER 51 -14.632 9.480 -4.430 410 HA SER 51 HA SER 51 -12.706 8.366 -6.354 411 HB2 SER 51 HB2 SER 51 -12.039 9.874 -3.815 412 HB3 SER 51 HB3 SER 51 -10.867 9.043 -4.836 413 HG SER 51 HG SER 51 -12.297 10.634 -6.393 414 H ALA 52 H ALA 52 -13.102 6.239 -6.137 415 HA ALA 52 HA ALA 52 -13.011 5.114 -3.414 416 HB1 ALA 52 HB1 ALA 52 -14.538 4.033 -5.779 417 HB2 ALA 52 HB2 ALA 52 -15.238 4.881 -4.399 418 HB3 ALA 52 HB3 ALA 52 -14.465 3.312 -4.170 419 HA PRO 53 HA PRO 53 -9.199 3.599 -5.520 420 HB2 PRO 53 HB2 PRO 53 -8.656 2.895 -2.685 421 HB3 PRO 53 HB3 PRO 53 -7.617 3.703 -3.863 422 HG2 PRO 53 HG2 PRO 53 -8.770 5.081 -1.899 423 HG3 PRO 53 HG3 PRO 53 -8.618 5.767 -3.527 424 HD2 PRO 53 HD2 PRO 53 -11.014 4.592 -2.179 425 HD3 PRO 53 HD3 PRO 53 -10.903 5.995 -3.263 426 HA PRO 54 HA PRO 54 -11.102 -0.536 -5.342 427 HB2 PRO 54 HB2 PRO 54 -9.603 -1.028 -7.797 428 HB3 PRO 54 HB3 PRO 54 -11.348 -1.008 -7.544 429 HG2 PRO 54 HG2 PRO 54 -10.055 0.897 -8.970 430 HG3 PRO 54 HG3 PRO 54 -11.530 1.225 -8.042 431 HD2 PRO 54 HD2 PRO 54 -8.676 1.799 -7.333 432 HD3 PRO 54 HD3 PRO 54 -10.122 2.803 -7.092 433 H TRP 55 H TRP 55 -10.156 -1.875 -3.929 434 HA TRP 55 HA TRP 55 -7.309 -2.246 -3.937 435 HB2 TRP 55 HB2 TRP 55 -9.525 -3.124 -2.132 436 HB3 TRP 55 HB3 TRP 55 -7.936 -3.883 -2.008 437 HD1 TRP 55 HD1 TRP 55 -9.373 -0.286 -2.064 438 HE1 TRP 55 HE1 TRP 55 -7.947 1.173 -0.497 439 HE3 TRP 55 HE3 TRP 55 -5.944 -3.790 -0.572 440 HZ2 TRP 55 HZ2 TRP 55 -5.669 0.874 1.140 441 HZ3 TRP 55 HZ3 TRP 55 -4.197 -3.107 0.997 442 HH2 TRP 55 HH2 TRP 55 -4.068 -0.833 1.844 443 HA PRO 56 HA PRO 56 -8.991 -6.735 -5.287 444 HB2 PRO 56 HB2 PRO 56 -10.431 -5.525 -7.609 445 HB3 PRO 56 HB3 PRO 56 -10.798 -6.998 -6.703 446 HG2 PRO 56 HG2 PRO 56 -12.224 -4.785 -6.320 447 HG3 PRO 56 HG3 PRO 56 -11.792 -5.836 -4.958 448 HD2 PRO 56 HD2 PRO 56 -10.655 -3.197 -5.754 449 HD3 PRO 56 HD3 PRO 56 -10.897 -3.882 -4.134 450 H ALA 57 H ALA 57 -7.902 -3.845 -6.778 451 HA ALA 57 HA ALA 57 -6.694 -4.838 -9.091 452 HB1 ALA 57 HB1 ALA 57 -7.051 -2.454 -8.663 453 HB2 ALA 57 HB2 ALA 57 -5.370 -2.795 -9.076 454 HB3 ALA 57 HB3 ALA 57 -5.823 -2.500 -7.398 455 H LEU 58 H LEU 58 -5.932 -5.504 -5.886 456 HA LEU 58 HA LEU 58 -3.126 -5.482 -5.792 457 HB2 LEU 58 HB2 LEU 58 -5.305 -6.805 -4.324 458 HB3 LEU 58 HB3 LEU 58 -3.790 -7.686 -4.323 459 HG LEU 58 HG LEU 58 -3.962 -6.293 -2.343 460 HD11 LEU 58 HD11 LEU 58 -1.934 -5.218 -4.295 461 HD12 LEU 58 HD12 LEU 58 -1.750 -6.658 -3.296 462 HD13 LEU 58 HD13 LEU 58 -1.863 -5.069 -2.539 463 HD21 LEU 58 HD21 LEU 58 -3.951 -3.827 -2.560 464 HD22 LEU 58 HD22 LEU 58 -5.445 -4.573 -3.126 465 HD23 LEU 58 HD23 LEU 58 -4.245 -4.010 -4.290 466 H ARG 59 H ARG 59 -5.396 -8.028 -6.784 467 HA ARG 59 HA ARG 59 -3.603 -9.997 -7.465 468 HB2 ARG 59 HB2 ARG 59 -6.169 -9.279 -8.895 469 HB3 ARG 59 HB3 ARG 59 -5.322 -10.815 -9.043 470 HG2 ARG 59 HG2 ARG 59 -5.694 -11.254 -6.671 471 HG3 ARG 59 HG3 ARG 59 -6.534 -9.708 -6.516 472 HD2 ARG 59 HD2 ARG 59 -7.374 -12.018 -8.266 473 HD3 ARG 59 HD3 ARG 59 -8.110 -11.564 -6.730 474 HE ARG 59 HE ARG 59 -8.177 -9.347 -8.437 475 HH11 ARG 59 HH11 ARG 59 -9.587 -12.520 -8.145 476 HH12 ARG 59 HH12 ARG 59 -11.048 -12.087 -8.966 477 HH21 ARG 59 HH21 ARG 59 -10.098 -8.768 -9.521 478 HH22 ARG 59 HH22 ARG 59 -11.339 -9.955 -9.749 479 H SER 60 H SER 60 -4.737 -7.313 -9.467 480 HA SER 60 HA SER 60 -3.192 -7.897 -11.683 481 HB2 SER 60 HB2 SER 60 -4.158 -5.184 -10.750 482 HB3 SER 60 HB3 SER 60 -3.606 -5.566 -12.381 483 HG SER 60 HG SER 60 -5.460 -6.479 -12.788 484 H LEU 61 H LEU 61 -2.344 -6.096 -8.783 485 HA LEU 61 HA LEU 61 0.093 -5.063 -9.860 486 HB2 LEU 61 HB2 LEU 61 -1.154 -5.119 -7.151 487 HB3 LEU 61 HB3 LEU 61 0.561 -4.766 -7.285 488 HG LEU 61 HG LEU 61 -0.383 -3.054 -9.128 489 HD11 LEU 61 HD11 LEU 61 -2.569 -3.285 -7.068 490 HD12 LEU 61 HD12 LEU 61 -2.705 -3.640 -8.791 491 HD13 LEU 61 HD13 LEU 61 -2.409 -1.988 -8.252 492 HD21 LEU 61 HD21 LEU 61 -0.225 -2.590 -6.156 493 HD22 LEU 61 HD22 LEU 61 -0.224 -1.327 -7.388 494 HD23 LEU 61 HD23 LEU 61 1.104 -2.487 -7.310 495 H LEU 62 H LEU 62 -0.748 -7.915 -7.953 496 HA LEU 62 HA LEU 62 1.832 -8.712 -7.167 497 HB2 LEU 62 HB2 LEU 62 -0.482 -10.474 -7.974 498 HB3 LEU 62 HB3 LEU 62 0.891 -10.954 -7.003 499 HG LEU 62 HG LEU 62 -0.910 -8.760 -6.046 500 HD11 LEU 62 HD11 LEU 62 -1.390 -11.702 -5.606 501 HD12 LEU 62 HD12 LEU 62 -2.337 -10.680 -6.683 502 HD13 LEU 62 HD13 LEU 62 -2.332 -10.363 -4.949 503 HD21 LEU 62 HD21 LEU 62 -0.183 -9.537 -3.863 504 HD22 LEU 62 HD22 LEU 62 1.217 -9.205 -4.883 505 HD23 LEU 62 HD23 LEU 62 0.701 -10.867 -4.608 506 H HIS 63 H HIS 63 -0.039 -9.129 -10.096 507 HA HIS 63 HA HIS 63 1.670 -10.800 -11.496 508 HB2 HIS 63 HB2 HIS 63 -0.621 -10.291 -12.202 509 HB3 HIS 63 HB3 HIS 63 -0.157 -8.629 -12.549 510 HD1 HIS 63 HD1 HIS 63 -0.020 -12.080 -13.930 511 HD2 HIS 63 HD2 HIS 63 1.353 -8.284 -14.918 512 HE1 HIS 63 HE1 HIS 63 0.725 -12.237 -16.327 513 HE2 HIS 63 HE2 HIS 63 1.634 -9.951 -16.875 514 H ARG 64 H ARG 64 1.628 -7.263 -11.256 515 HA ARG 64 HA ARG 64 3.813 -6.896 -13.015 516 HB2 ARG 64 HB2 ARG 64 2.700 -5.052 -10.892 517 HB3 ARG 64 HB3 ARG 64 3.808 -4.579 -12.170 518 HG2 ARG 64 HG2 ARG 64 1.083 -5.731 -12.698 519 HG3 ARG 64 HG3 ARG 64 1.398 -4.003 -12.549 520 HD2 ARG 64 HD2 ARG 64 1.404 -4.551 -14.873 521 HD3 ARG 64 HD3 ARG 64 3.067 -4.225 -14.391 522 HE ARG 64 HE ARG 64 2.500 -6.993 -14.210 523 HH11 ARG 64 HH11 ARG 64 3.123 -4.463 -16.522 524 HH12 ARG 64 HH12 ARG 64 3.781 -5.535 -17.712 525 HH21 ARG 64 HH21 ARG 64 3.365 -8.412 -15.771 526 HH22 ARG 64 HH22 ARG 64 3.919 -7.780 -17.286 527 H ASN 65 H ASN 65 3.668 -8.101 -9.905 528 HA ASN 65 HA ASN 65 5.307 -8.847 -8.511 529 HB2 ASN 65 HB2 ASN 65 7.230 -7.672 -10.530 530 HB3 ASN 65 HB3 ASN 65 7.685 -8.672 -9.155 531 HD21 ASN 65 HD21 ASN 65 5.293 -10.353 -9.448 532 HD22 ASN 65 HD22 ASN 65 5.613 -11.386 -10.796 533 H LEU 66 H LEU 66 4.055 -6.182 -8.440 534 HA LEU 66 HA LEU 66 6.124 -4.577 -7.130 535 HB2 LEU 66 HB2 LEU 66 3.239 -3.813 -7.452 536 HB3 LEU 66 HB3 LEU 66 4.601 -2.762 -7.147 537 HG LEU 66 HG LEU 66 3.696 -3.976 -9.720 538 HD11 LEU 66 HD11 LEU 66 4.111 -1.733 -10.537 539 HD12 LEU 66 HD12 LEU 66 4.795 -1.273 -8.977 540 HD13 LEU 66 HD13 LEU 66 3.083 -1.682 -9.103 541 HD21 LEU 66 HD21 LEU 66 5.998 -4.738 -9.557 542 HD22 LEU 66 HD22 LEU 66 6.523 -3.106 -9.149 543 HD23 LEU 66 HD23 LEU 66 5.862 -3.443 -10.747 544 H VAL 67 H VAL 67 3.456 -6.612 -6.450 545 HA VAL 67 HA VAL 67 3.837 -6.137 -3.571 546 HB VAL 67 HB VAL 67 1.400 -6.878 -3.346 547 HG11 VAL 67 HG11 VAL 67 1.962 -4.242 -4.701 548 HG12 VAL 67 HG12 VAL 67 2.164 -4.572 -2.980 549 HG13 VAL 67 HG13 VAL 67 0.557 -4.623 -3.706 550 HG21 VAL 67 HG21 VAL 67 -0.046 -6.600 -5.221 551 HG22 VAL 67 HG22 VAL 67 1.248 -7.706 -5.686 552 HG23 VAL 67 HG23 VAL 67 1.285 -6.029 -6.228 553 H LEU 68 H LEU 68 2.988 -8.061 -2.264 554 HA LEU 68 HA LEU 68 3.625 -10.582 -3.662 555 HB2 LEU 68 HB2 LEU 68 5.327 -9.536 -1.991 556 HB3 LEU 68 HB3 LEU 68 4.213 -10.096 -0.763 557 HG LEU 68 HG LEU 68 5.443 -11.937 -2.810 558 HD11 LEU 68 HD11 LEU 68 6.385 -11.333 -0.011 559 HD12 LEU 68 HD12 LEU 68 7.221 -10.908 -1.504 560 HD13 LEU 68 HD13 LEU 68 7.015 -12.602 -1.061 561 HD21 LEU 68 HD21 LEU 68 3.430 -12.799 -1.789 562 HD22 LEU 68 HD22 LEU 68 4.046 -12.417 -0.181 563 HD23 LEU 68 HD23 LEU 68 4.832 -13.660 -1.154 564 H ARG 69 H ARG 69 2.231 -12.264 -3.343 565 HA ARG 69 HA ARG 69 -0.091 -11.745 -1.599 566 HB2 ARG 69 HB2 ARG 69 -0.828 -11.956 -3.861 567 HB3 ARG 69 HB3 ARG 69 0.161 -13.380 -4.124 568 HG2 ARG 69 HG2 ARG 69 -1.266 -14.538 -2.393 569 HG3 ARG 69 HG3 ARG 69 -2.338 -13.140 -2.483 570 HD2 ARG 69 HD2 ARG 69 -2.595 -13.522 -4.900 571 HD3 ARG 69 HD3 ARG 69 -1.574 -14.953 -4.763 572 HE ARG 69 HE ARG 69 -3.698 -15.191 -2.952 573 HH11 ARG 69 HH11 ARG 69 -3.116 -15.173 -6.388 574 HH12 ARG 69 HH12 ARG 69 -4.470 -16.191 -6.752 575 HH21 ARG 69 HH21 ARG 69 -5.481 -16.531 -3.422 576 HH22 ARG 69 HH22 ARG 69 -5.814 -16.962 -5.066 577 H THR 70 H THR 70 -0.775 -13.400 -0.178 578 HA THR 70 HA THR 70 0.912 -15.800 -0.120 579 HB THR 70 HB THR 70 1.263 -15.702 2.195 580 HG1 THR 70 HG1 THR 70 -0.785 -15.005 2.863 581 HG21 THR 70 HG21 THR 70 2.312 -13.496 2.558 582 HG22 THR 70 HG22 THR 70 1.539 -12.914 1.084 583 HG23 THR 70 HG23 THR 70 2.733 -14.208 1.001 584 H HIS 71 H HIS 71 0.052 -17.026 1.988 585 HA HIS 71 HA HIS 71 -1.706 -18.892 1.330 586 HB2 HIS 71 HB2 HIS 71 -0.597 -17.729 3.664 587 HB3 HIS 71 HB3 HIS 71 -2.254 -18.173 4.008 588 HD1 HIS 71 HD1 HIS 71 -2.643 -20.859 2.894 589 HD2 HIS 71 HD2 HIS 71 1.042 -19.662 4.395 590 HE1 HIS 71 HE1 HIS 71 -1.414 -22.991 3.424 591 HE2 HIS 71 HE2 HIS 71 0.775 -22.242 4.428 592 H GLN 72 H GLN 72 -2.974 -16.496 3.635 593 HA GLN 72 HA GLN 72 -5.169 -15.480 2.103 594 HB2 GLN 72 HB2 GLN 72 -5.886 -17.806 2.222 595 HB3 GLN 72 HB3 GLN 72 -5.585 -17.840 3.954 596 HG2 GLN 72 HG2 GLN 72 -7.363 -16.194 4.289 597 HG3 GLN 72 HG3 GLN 72 -7.667 -16.177 2.552 598 HE21 GLN 72 HE21 GLN 72 -8.646 -17.953 1.584 599 HE22 GLN 72 HE22 GLN 72 -9.481 -19.157 2.502 600 HA PRO 73 HA PRO 73 -6.963 -14.324 2.474 601 HB2 PRO 73 HB2 PRO 73 -7.104 -11.498 3.086 602 HB3 PRO 73 HB3 PRO 73 -8.385 -12.707 3.172 603 HG2 PRO 73 HG2 PRO 73 -7.317 -11.486 5.366 604 HG3 PRO 73 HG3 PRO 73 -8.035 -13.107 5.396 605 HD2 PRO 73 HD2 PRO 73 -5.148 -12.313 5.271 606 HD3 PRO 73 HD3 PRO 73 -5.923 -13.605 6.215 607 H ALA 74 H ALA 74 -4.091 -14.320 2.375 608 HA ALA 74 HA ALA 74 -2.508 -13.893 0.865 609 HB1 ALA 74 HB1 ALA 74 -4.253 -13.664 -0.822 610 HB2 ALA 74 HB2 ALA 74 -2.961 -12.494 -1.089 611 HB3 ALA 74 HB3 ALA 74 -4.484 -11.974 -0.374 612 H ARG 75 H ARG 75 -1.359 -13.075 2.637 613 HA ARG 75 HA ARG 75 -1.377 -10.397 3.497 614 HB2 ARG 75 HB2 ARG 75 0.995 -12.282 3.409 615 HB3 ARG 75 HB3 ARG 75 0.807 -10.887 4.459 616 HG2 ARG 75 HG2 ARG 75 -0.714 -11.948 5.829 617 HG3 ARG 75 HG3 ARG 75 -1.193 -13.098 4.579 618 HD2 ARG 75 HD2 ARG 75 0.783 -14.372 4.847 619 HD3 ARG 75 HD3 ARG 75 1.562 -13.093 5.789 620 HE ARG 75 HE ARG 75 -0.714 -13.869 7.181 621 HH11 ARG 75 HH11 ARG 75 2.299 -15.282 6.145 622 HH12 ARG 75 HH12 ARG 75 2.378 -16.398 7.468 623 HH21 ARG 75 HH21 ARG 75 -0.617 -15.334 8.925 624 HH22 ARG 75 HH22 ARG 75 0.721 -16.428 9.047 625 H TYR 76 H TYR 76 -0.838 -8.610 2.335 626 HA TYR 76 HA TYR 76 0.858 -8.953 0.047 627 HB2 TYR 76 HB2 TYR 76 -0.837 -6.636 0.952 628 HB3 TYR 76 HB3 TYR 76 0.116 -6.638 -0.528 629 HD1 TYR 76 HD1 TYR 76 -0.279 -8.923 -1.955 630 HD2 TYR 76 HD2 TYR 76 -3.082 -7.106 0.679 631 HE1 TYR 76 HE1 TYR 76 -2.112 -10.048 -3.147 632 HE2 TYR 76 HE2 TYR 76 -4.926 -8.222 -0.507 633 HH TYR 76 HH TYR 76 -4.432 -10.748 -2.716 634 H SER 77 H SER 77 2.683 -7.829 -0.466 635 HA SER 77 HA SER 77 3.917 -6.159 1.541 636 HB2 SER 77 HB2 SER 77 4.643 -8.379 2.279 637 HB3 SER 77 HB3 SER 77 5.246 -8.733 0.660 638 HG SER 77 HG SER 77 7.003 -8.030 1.720 639 H LEU 78 H LEU 78 5.358 -4.712 0.667 640 HA LEU 78 HA LEU 78 5.344 -4.316 -2.107 641 HB2 LEU 78 HB2 LEU 78 7.109 -3.151 0.035 642 HB3 LEU 78 HB3 LEU 78 7.100 -2.595 -1.620 643 HG LEU 78 HG LEU 78 5.009 -2.253 0.491 644 HD11 LEU 78 HD11 LEU 78 6.305 -0.383 -1.484 645 HD12 LEU 78 HD12 LEU 78 6.771 -0.576 0.205 646 HD13 LEU 78 HD13 LEU 78 5.182 0.065 -0.201 647 HD21 LEU 78 HD21 LEU 78 3.478 -1.408 -1.214 648 HD22 LEU 78 HD22 LEU 78 3.803 -3.126 -1.437 649 HD23 LEU 78 HD23 LEU 78 4.588 -1.937 -2.477 650 H THR 79 H THR 79 6.524 -5.333 -3.655 651 HA THR 79 HA THR 79 8.983 -6.596 -3.006 652 HB THR 79 HB THR 79 8.673 -6.424 -5.824 653 HG1 THR 79 HG1 THR 79 6.392 -7.409 -5.669 654 HG21 THR 79 HG21 THR 79 8.168 -8.810 -5.646 655 HG22 THR 79 HG22 THR 79 7.870 -8.627 -3.917 656 HG23 THR 79 HG23 THR 79 9.491 -8.376 -4.564 657 HA PRO 80 HA PRO 80 12.261 -3.811 -4.215 658 HB2 PRO 80 HB2 PRO 80 12.210 -4.891 -7.013 659 HB3 PRO 80 HB3 PRO 80 13.593 -4.508 -5.988 660 HG2 PRO 80 HG2 PRO 80 12.814 -7.021 -6.262 661 HG3 PRO 80 HG3 PRO 80 13.313 -6.411 -4.673 662 HD2 PRO 80 HD2 PRO 80 10.594 -7.034 -5.693 663 HD3 PRO 80 HD3 PRO 80 11.228 -7.123 -4.038 664 H GLU 81 H GLU 81 9.896 -4.143 -6.862 665 HA GLU 81 HA GLU 81 10.353 -1.473 -7.810 666 HB2 GLU 81 HB2 GLU 81 8.112 -3.403 -8.419 667 HB3 GLU 81 HB3 GLU 81 8.427 -1.904 -9.279 668 HG2 GLU 81 HG2 GLU 81 10.229 -4.306 -9.159 669 HG3 GLU 81 HG3 GLU 81 9.251 -3.795 -10.531 670 H GLY 82 H GLY 82 7.899 -3.037 -5.762 671 HA2 GLY 82 HA2 GLY 82 6.167 -0.721 -5.711 672 HA3 GLY 82 HA3 GLY 82 6.062 -2.122 -4.667 673 H LEU 83 H LEU 83 9.000 -1.818 -4.079 674 HA LEU 83 HA LEU 83 8.685 -0.290 -1.694 675 HB2 LEU 83 HB2 LEU 83 10.424 -2.251 -2.579 676 HB3 LEU 83 HB3 LEU 83 11.431 -0.820 -2.519 677 HG LEU 83 HG LEU 83 11.585 -2.081 -0.437 678 HD11 LEU 83 HD11 LEU 83 11.848 0.324 -0.295 679 HD12 LEU 83 HD12 LEU 83 11.024 -0.288 1.141 680 HD13 LEU 83 HD13 LEU 83 10.103 0.523 -0.124 681 HD21 LEU 83 HD21 LEU 83 9.380 -3.124 -0.496 682 HD22 LEU 83 HD22 LEU 83 8.631 -1.557 -0.183 683 HD23 LEU 83 HD23 LEU 83 9.662 -2.302 1.039 684 H GLU 84 H GLU 84 10.839 0.125 -4.513 685 HA GLU 84 HA GLU 84 11.547 2.726 -3.891 686 HB2 GLU 84 HB2 GLU 84 12.188 2.909 -6.316 687 HB3 GLU 84 HB3 GLU 84 12.880 1.542 -5.457 688 HG2 GLU 84 HG2 GLU 84 12.229 0.435 -7.298 689 HG3 GLU 84 HG3 GLU 84 10.683 0.386 -6.453 690 H LEU 85 H LEU 85 8.896 1.526 -5.797 691 HA LEU 85 HA LEU 85 8.116 3.985 -6.996 692 HB2 LEU 85 HB2 LEU 85 7.396 1.759 -7.814 693 HB3 LEU 85 HB3 LEU 85 6.475 1.532 -6.344 694 HG LEU 85 HG LEU 85 5.862 3.916 -8.028 695 HD11 LEU 85 HD11 LEU 85 4.318 2.568 -9.382 696 HD12 LEU 85 HD12 LEU 85 4.976 1.102 -8.658 697 HD13 LEU 85 HD13 LEU 85 6.002 2.126 -9.663 698 HD21 LEU 85 HD21 LEU 85 4.190 2.008 -6.395 699 HD22 LEU 85 HD22 LEU 85 3.599 3.451 -7.218 700 HD23 LEU 85 HD23 LEU 85 4.741 3.603 -5.883 701 H ALA 86 H ALA 86 7.227 2.220 -4.062 702 HA ALA 86 HA ALA 86 5.202 3.984 -3.185 703 HB1 ALA 86 HB1 ALA 86 5.455 1.725 -2.288 704 HB2 ALA 86 HB2 ALA 86 5.466 2.931 -1.000 705 HB3 ALA 86 HB3 ALA 86 6.978 2.192 -1.530 706 H GLN 87 H GLN 87 8.707 4.033 -2.809 707 HA GLN 87 HA GLN 87 8.869 5.933 -0.723 708 HB2 GLN 87 HB2 GLN 87 10.738 5.300 -3.012 709 HB3 GLN 87 HB3 GLN 87 11.121 6.477 -1.764 710 HG2 GLN 87 HG2 GLN 87 10.865 4.678 -0.074 711 HG3 GLN 87 HG3 GLN 87 10.654 3.531 -1.393 712 HE21 GLN 87 HE21 GLN 87 12.410 2.995 -2.683 713 HE22 GLN 87 HE22 GLN 87 14.035 3.355 -2.226 714 H LYS 88 H LYS 88 8.616 6.226 -4.225 715 HA LYS 88 HA LYS 88 8.657 8.969 -4.361 716 HB2 LYS 88 HB2 LYS 88 7.068 7.160 -6.175 717 HB3 LYS 88 HB3 LYS 88 7.756 8.728 -6.566 718 HG2 LYS 88 HG2 LYS 88 10.018 7.738 -6.159 719 HG3 LYS 88 HG3 LYS 88 9.229 6.168 -6.024 720 HD2 LYS 88 HD2 LYS 88 8.352 6.409 -8.294 721 HD3 LYS 88 HD3 LYS 88 9.138 7.983 -8.432 722 HE2 LYS 88 HE2 LYS 88 10.547 5.359 -7.968 723 HE3 LYS 88 HE3 LYS 88 10.428 6.190 -9.519 724 HZ1 LYS 88 HZ1 LYS 88 12.540 6.632 -8.440 725 HZ2 LYS 88 HZ2 LYS 88 11.750 7.256 -7.082 726 HZ3 LYS 88 HZ3 LYS 88 11.635 8.056 -8.567 727 H LEU 89 H LEU 89 5.856 6.830 -3.992 728 HA LEU 89 HA LEU 89 3.853 8.823 -4.325 729 HB2 LEU 89 HB2 LEU 89 3.945 6.061 -3.158 730 HB3 LEU 89 HB3 LEU 89 2.508 7.053 -3.016 731 HG LEU 89 HG LEU 89 2.263 7.132 -5.416 732 HD11 LEU 89 HD11 LEU 89 3.736 5.973 -6.932 733 HD12 LEU 89 HD12 LEU 89 4.753 5.464 -5.587 734 HD13 LEU 89 HD13 LEU 89 4.640 7.171 -6.008 735 HD21 LEU 89 HD21 LEU 89 1.753 4.819 -5.857 736 HD22 LEU 89 HD22 LEU 89 1.360 5.185 -4.178 737 HD23 LEU 89 HD23 LEU 89 2.836 4.301 -4.565 738 H ALA 90 H ALA 90 5.842 7.667 -1.739 739 HA ALA 90 HA ALA 90 4.464 8.910 0.365 740 HB1 ALA 90 HB1 ALA 90 6.435 8.431 1.701 741 HB2 ALA 90 HB2 ALA 90 7.375 8.135 0.239 742 HB3 ALA 90 HB3 ALA 90 6.043 7.059 0.665 743 H GLU 91 H GLU 91 6.974 10.046 -1.764 744 HA GLU 91 HA GLU 91 7.879 12.282 -0.451 745 HB2 GLU 91 HB2 GLU 91 7.248 12.344 -3.396 746 HB3 GLU 91 HB3 GLU 91 8.534 13.193 -2.547 747 HG2 GLU 91 HG2 GLU 91 9.646 11.085 -2.094 748 HG3 GLU 91 HG3 GLU 91 8.336 10.225 -2.899 749 H SER 92 H SER 92 5.039 12.032 -2.530 750 HA SER 92 HA SER 92 4.090 14.578 -2.268 751 HB2 SER 92 HB2 SER 92 3.225 12.927 -3.860 752 HB3 SER 92 HB3 SER 92 2.480 12.032 -2.538 753 HG SER 92 HG SER 92 1.577 14.224 -3.855 754 H GLU 93 H GLU 93 3.960 12.032 0.092 755 HA GLU 93 HA GLU 93 1.867 13.381 1.644 756 HB2 GLU 93 HB2 GLU 93 3.283 10.809 2.328 757 HB3 GLU 93 HB3 GLU 93 1.777 11.419 2.989 758 HG2 GLU 93 HG2 GLU 93 2.131 10.607 0.122 759 HG3 GLU 93 HG3 GLU 93 1.549 9.530 1.389 760 H GLY 94 H GLY 94 5.186 13.294 1.223 761 HA2 GLY 94 HA2 GLY 94 6.678 14.769 2.362 762 HA3 GLY 94 HA3 GLY 94 5.549 14.809 3.716 763 H LEU 95 H LEU 95 5.530 11.752 2.686 764 HA LEU 95 HA LEU 95 6.391 9.777 3.352 765 HB2 LEU 95 HB2 LEU 95 8.589 11.295 2.690 766 HB3 LEU 95 HB3 LEU 95 8.972 10.747 4.312 767 HG LEU 95 HG LEU 95 8.537 9.113 1.833 768 HD11 LEU 95 HD11 LEU 95 10.793 9.871 2.302 769 HD12 LEU 95 HD12 LEU 95 10.669 8.123 2.500 770 HD13 LEU 95 HD13 LEU 95 10.709 9.171 3.919 771 HD21 LEU 95 HD21 LEU 95 8.603 7.092 3.257 772 HD22 LEU 95 HD22 LEU 95 7.137 8.049 3.481 773 HD23 LEU 95 HD23 LEU 95 8.432 8.123 4.680 774 H SER 96 H SER 96 5.085 11.660 5.205 775 HA SER 96 HA SER 96 6.361 11.101 7.775 776 HB2 SER 96 HB2 SER 96 5.475 13.370 7.396 777 HB3 SER 96 HB3 SER 96 3.869 12.697 7.121 778 HG SER 96 HG SER 96 3.613 12.780 9.193 779 H LEU 97 H LEU 97 5.589 8.782 6.559 780 HA LEU 97 HA LEU 97 2.878 8.122 7.462 781 HB2 LEU 97 HB2 LEU 97 4.779 6.592 5.687 782 HB3 LEU 97 HB3 LEU 97 3.215 6.004 6.211 783 HG LEU 97 HG LEU 97 2.235 8.074 5.062 784 HD11 LEU 97 HD11 LEU 97 4.981 8.063 3.817 785 HD12 LEU 97 HD12 LEU 97 4.273 9.349 4.794 786 HD13 LEU 97 HD13 LEU 97 3.593 8.968 3.214 787 HD21 LEU 97 HD21 LEU 97 1.994 5.812 4.199 788 HD22 LEU 97 HD22 LEU 97 3.568 5.933 3.411 789 HD23 LEU 97 HD23 LEU 97 2.236 6.963 2.885 790 H LEU 98 H LEU 98 5.826 6.153 7.237 791 HA LEU 98 HA LEU 98 5.680 4.557 9.255 792 HB2 LEU 98 HB2 LEU 98 8.103 6.232 8.633 793 HB3 LEU 98 HB3 LEU 98 8.150 4.905 9.777 794 HG LEU 98 HG LEU 98 7.347 4.589 6.886 795 HD11 LEU 98 HD11 LEU 98 9.573 3.643 6.544 796 HD12 LEU 98 HD12 LEU 98 10.008 4.062 8.202 797 HD13 LEU 98 HD13 LEU 98 9.663 5.336 7.032 798 HD21 LEU 98 HD21 LEU 98 8.092 2.589 9.018 799 HD22 LEU 98 HD22 LEU 98 7.724 2.214 7.334 800 HD23 LEU 98 HD23 LEU 98 6.471 2.876 8.384 801 H ASN 99 H ASN 99 6.909 7.851 9.865 802 HA ASN 99 HA ASN 99 6.294 7.484 12.711 803 HB2 ASN 99 HB2 ASN 99 7.738 9.454 13.080 804 HB3 ASN 99 HB3 ASN 99 8.588 8.161 12.238 805 HD21 ASN 99 HD21 ASN 99 7.216 11.338 11.979 806 HD22 ASN 99 HD22 ASN 99 7.947 11.753 10.471 807 H VAL 100 H VAL 100 4.671 8.545 13.654 808 HA VAL 100 HA VAL 100 3.572 10.937 12.364 809 HB VAL 100 HB VAL 100 1.265 10.147 12.734 810 HG11 VAL 100 HG11 VAL 100 2.271 9.899 10.535 811 HG12 VAL 100 HG12 VAL 100 1.186 8.551 10.875 812 HG13 VAL 100 HG13 VAL 100 2.932 8.330 10.997 813 HG21 VAL 100 HG21 VAL 100 0.850 7.770 13.186 814 HG22 VAL 100 HG22 VAL 100 1.685 8.556 14.525 815 HG23 VAL 100 HG23 VAL 100 2.580 7.518 13.415 816 H GLY 101 H GLY 101 1.879 11.981 13.849 817 HA2 GLY 101 HA2 GLY 101 1.238 11.710 16.388 818 HA3 GLY 101 HA3 GLY 101 2.967 11.968 16.563 819 H ILE 102 H ILE 102 -0.092 13.415 15.778 820 HA ILE 102 HA ILE 102 1.160 16.039 15.418 821 HB ILE 102 HB ILE 102 -0.517 15.431 13.758 822 HG12 ILE 102 HG12 ILE 102 -2.018 17.399 13.997 823 HG13 ILE 102 HG13 ILE 102 -1.454 17.598 15.653 824 HG21 ILE 102 HG21 ILE 102 -2.425 15.238 16.084 825 HG22 ILE 102 HG22 ILE 102 -1.846 13.900 15.092 826 HG23 ILE 102 HG23 ILE 102 -2.871 15.145 14.380 827 HD11 ILE 102 HD11 ILE 102 -0.348 19.144 14.144 828 HD12 ILE 102 HD12 ILE 102 0.245 17.793 13.177 829 HD13 ILE 102 HD13 ILE 102 0.805 18.003 14.836 830 H GLY 103 H GLY 103 0.751 17.775 16.761 831 HA2 GLY 103 HA2 GLY 103 -0.226 18.883 18.579 832 HA3 GLY 103 HA3 GLY 103 -0.964 17.370 19.079 Start of MODEL 10 1 H GLY 1 H GLY 1 8.653 5.947 -12.811 2 HA2 GLY 1 HA2 GLY 1 10.841 5.685 -14.800 3 HA3 GLY 1 HA3 GLY 1 10.039 4.352 -13.983 4 H SER 2 H SER 2 8.786 3.324 -15.386 5 HA SER 2 HA SER 2 7.413 4.846 -17.476 6 HB2 SER 2 HB2 SER 2 6.990 2.643 -18.513 7 HB3 SER 2 HB3 SER 2 8.709 2.906 -18.220 8 HG SER 2 HG SER 2 8.695 1.422 -16.666 9 H TYR 3 H TYR 3 6.766 2.525 -14.880 10 HA TYR 3 HA TYR 3 3.893 2.816 -15.251 11 HB2 TYR 3 HB2 TYR 3 4.829 0.585 -14.780 12 HB3 TYR 3 HB3 TYR 3 5.453 1.174 -13.243 13 HD1 TYR 3 HD1 TYR 3 2.353 0.448 -15.127 14 HD2 TYR 3 HD2 TYR 3 4.064 1.286 -11.324 15 HE1 TYR 3 HE1 TYR 3 0.230 -0.161 -14.044 16 HE2 TYR 3 HE2 TYR 3 1.948 0.680 -10.230 17 HH TYR 3 HH TYR 3 -0.565 -0.926 -11.851 18 H TRP 4 H TRP 4 2.910 4.509 -14.372 19 HA TRP 4 HA TRP 4 3.479 5.203 -11.600 20 HB2 TRP 4 HB2 TRP 4 4.940 6.687 -12.891 21 HB3 TRP 4 HB3 TRP 4 3.563 7.235 -13.839 22 HD1 TRP 4 HD1 TRP 4 1.893 8.972 -12.695 23 HE1 TRP 4 HE1 TRP 4 2.120 10.481 -10.623 24 HE3 TRP 4 HE3 TRP 4 5.972 6.775 -10.532 25 HZ2 TRP 4 HZ2 TRP 4 3.805 10.710 -8.370 26 HZ3 TRP 4 HZ3 TRP 4 6.828 7.700 -8.420 27 HH2 TRP 4 HH2 TRP 4 5.766 9.628 -7.363 28 HA PRO 5 HA PRO 5 -1.050 5.091 -12.271 29 HB2 PRO 5 HB2 PRO 5 -1.015 4.914 -9.325 30 HB3 PRO 5 HB3 PRO 5 -1.787 3.851 -10.504 31 HG2 PRO 5 HG2 PRO 5 0.385 3.079 -9.142 32 HG3 PRO 5 HG3 PRO 5 0.129 2.600 -10.831 33 HD2 PRO 5 HD2 PRO 5 1.907 4.736 -9.714 34 HD3 PRO 5 HD3 PRO 5 2.220 3.582 -11.027 35 H ALA 6 H ALA 6 -2.823 6.331 -10.990 36 HA ALA 6 HA ALA 6 -2.085 9.092 -10.987 37 HB1 ALA 6 HB1 ALA 6 -4.453 9.490 -10.426 38 HB2 ALA 6 HB2 ALA 6 -4.680 7.752 -10.236 39 HB3 ALA 6 HB3 ALA 6 -4.256 8.418 -11.811 40 H ARG 7 H ARG 7 -3.611 10.187 -8.942 41 HA ARG 7 HA ARG 7 -1.902 9.622 -6.658 42 HB2 ARG 7 HB2 ARG 7 -2.218 11.947 -7.419 43 HB3 ARG 7 HB3 ARG 7 -3.938 11.818 -7.076 44 HG2 ARG 7 HG2 ARG 7 -3.415 11.452 -4.701 45 HG3 ARG 7 HG3 ARG 7 -1.700 11.651 -5.066 46 HD2 ARG 7 HD2 ARG 7 -3.866 13.715 -5.460 47 HD3 ARG 7 HD3 ARG 7 -2.641 13.718 -4.192 48 HE ARG 7 HE ARG 7 -1.251 13.643 -6.565 49 HH11 ARG 7 HH11 ARG 7 -3.566 15.774 -5.066 50 HH12 ARG 7 HH12 ARG 7 -2.950 17.196 -5.839 51 HH21 ARG 7 HH21 ARG 7 -0.434 15.511 -7.587 52 HH22 ARG 7 HH22 ARG 7 -1.170 17.047 -7.272 53 H HIS 8 H HIS 8 -2.603 9.086 -4.620 54 HA HIS 8 HA HIS 8 -3.789 7.739 -3.198 55 HB2 HIS 8 HB2 HIS 8 -5.833 8.786 -2.396 56 HB3 HIS 8 HB3 HIS 8 -4.607 10.008 -2.703 57 HD1 HIS 8 HD1 HIS 8 -7.823 8.656 -4.134 58 HD2 HIS 8 HD2 HIS 8 -5.311 11.941 -4.536 59 HE1 HIS 8 HE1 HIS 8 -9.072 10.284 -5.588 60 HE2 HIS 8 HE2 HIS 8 -7.570 12.301 -5.741 61 H SER 9 H SER 9 -3.940 6.836 -5.976 62 HA SER 9 HA SER 9 -6.643 5.942 -6.421 63 HB2 SER 9 HB2 SER 9 -4.051 5.183 -7.790 64 HB3 SER 9 HB3 SER 9 -5.659 4.691 -8.325 65 HG SER 9 HG SER 9 -6.079 6.692 -8.978 66 H GLY 10 H GLY 10 -6.766 3.430 -7.030 67 HA2 GLY 10 HA2 GLY 10 -6.614 2.006 -4.666 68 HA3 GLY 10 HA3 GLY 10 -6.782 1.269 -6.254 69 H ALA 11 H ALA 11 -4.620 1.214 -7.514 70 HA ALA 11 HA ALA 11 -2.787 -0.308 -6.165 71 HB1 ALA 11 HB1 ALA 11 -2.310 1.308 -8.664 72 HB2 ALA 11 HB2 ALA 11 -3.011 -0.309 -8.588 73 HB3 ALA 11 HB3 ALA 11 -1.331 -0.051 -8.112 74 H ARG 12 H ARG 12 -2.968 3.139 -6.317 75 HA ARG 12 HA ARG 12 -0.225 3.740 -5.752 76 HB2 ARG 12 HB2 ARG 12 -2.145 5.214 -6.763 77 HB3 ARG 12 HB3 ARG 12 -2.528 5.536 -5.085 78 HG2 ARG 12 HG2 ARG 12 0.238 5.928 -6.127 79 HG3 ARG 12 HG3 ARG 12 -0.999 7.166 -6.343 80 HD2 ARG 12 HD2 ARG 12 -1.372 7.103 -3.871 81 HD3 ARG 12 HD3 ARG 12 0.025 6.035 -3.744 82 HE ARG 12 HE ARG 12 1.121 8.071 -5.013 83 HH11 ARG 12 HH11 ARG 12 -1.101 8.086 -2.330 84 HH12 ARG 12 HH12 ARG 12 -0.509 9.577 -1.681 85 HH21 ARG 12 HH21 ARG 12 1.904 10.037 -4.168 86 HH22 ARG 12 HH22 ARG 12 1.199 10.688 -2.726 87 H VAL 13 H VAL 13 -3.236 3.783 -3.890 88 HA VAL 13 HA VAL 13 -2.039 4.522 -1.449 89 HB VAL 13 HB VAL 13 -4.704 3.227 -2.007 90 HG11 VAL 13 HG11 VAL 13 -5.328 3.976 0.257 91 HG12 VAL 13 HG12 VAL 13 -3.650 4.440 0.543 92 HG13 VAL 13 HG13 VAL 13 -4.063 2.747 0.272 93 HG21 VAL 13 HG21 VAL 13 -3.968 6.086 -1.388 94 HG22 VAL 13 HG22 VAL 13 -5.597 5.469 -1.664 95 HG23 VAL 13 HG23 VAL 13 -4.416 5.460 -2.974 96 H ILE 14 H ILE 14 -2.808 1.354 -2.870 97 HA ILE 14 HA ILE 14 -2.288 -0.100 -0.559 98 HB ILE 14 HB ILE 14 -2.093 -2.078 -1.951 99 HG12 ILE 14 HG12 ILE 14 -2.176 -0.192 -4.308 100 HG13 ILE 14 HG13 ILE 14 -0.770 -1.116 -3.797 101 HG21 ILE 14 HG21 ILE 14 -4.268 -0.151 -2.679 102 HG22 ILE 14 HG22 ILE 14 -4.296 -1.428 -1.464 103 HG23 ILE 14 HG23 ILE 14 -4.275 -1.843 -3.177 104 HD11 ILE 14 HD11 ILE 14 -3.372 -2.299 -4.729 105 HD12 ILE 14 HD12 ILE 14 -1.909 -3.186 -4.296 106 HD13 ILE 14 HD13 ILE 14 -1.915 -2.126 -5.706 107 H LEU 15 H LEU 15 -0.018 0.049 -3.364 108 HA LEU 15 HA LEU 15 2.085 -0.966 -2.077 109 HB2 LEU 15 HB2 LEU 15 2.385 1.314 -4.026 110 HB3 LEU 15 HB3 LEU 15 3.551 0.059 -3.686 111 HG LEU 15 HG LEU 15 0.865 -0.695 -4.761 112 HD11 LEU 15 HD11 LEU 15 1.732 -0.492 -7.031 113 HD12 LEU 15 HD12 LEU 15 3.205 0.253 -6.409 114 HD13 LEU 15 HD13 LEU 15 1.656 1.079 -6.235 115 HD21 LEU 15 HD21 LEU 15 3.635 -1.848 -5.056 116 HD22 LEU 15 HD22 LEU 15 2.150 -2.540 -5.708 117 HD23 LEU 15 HD23 LEU 15 2.382 -2.435 -3.962 118 H LEU 16 H LEU 16 0.875 2.242 -1.591 119 HA LEU 16 HA LEU 16 3.311 3.343 -0.502 120 HB2 LEU 16 HB2 LEU 16 1.730 4.746 -1.694 121 HB3 LEU 16 HB3 LEU 16 0.452 4.287 -0.590 122 HG LEU 16 HG LEU 16 1.592 5.418 1.228 123 HD11 LEU 16 HD11 LEU 16 3.893 5.127 0.472 124 HD12 LEU 16 HD12 LEU 16 3.545 6.827 0.783 125 HD13 LEU 16 HD13 LEU 16 3.597 6.225 -0.875 126 HD21 LEU 16 HD21 LEU 16 1.297 7.173 -1.201 127 HD22 LEU 16 HD22 LEU 16 1.175 7.677 0.487 128 HD23 LEU 16 HD23 LEU 16 -0.034 6.591 -0.202 129 H VAL 17 H VAL 17 0.168 2.201 0.617 130 HA VAL 17 HA VAL 17 0.647 2.676 3.370 131 HB VAL 17 HB VAL 17 -1.566 2.338 2.086 132 HG11 VAL 17 HG11 VAL 17 -1.177 0.155 1.189 133 HG12 VAL 17 HG12 VAL 17 -2.525 0.090 2.326 134 HG13 VAL 17 HG13 VAL 17 -0.939 -0.508 2.807 135 HG21 VAL 17 HG21 VAL 17 -2.699 1.661 4.146 136 HG22 VAL 17 HG22 VAL 17 -1.421 2.838 4.460 137 HG23 VAL 17 HG23 VAL 17 -1.156 1.130 4.815 138 H LEU 18 H LEU 18 0.791 -0.302 1.378 139 HA LEU 18 HA LEU 18 1.721 -2.002 3.298 140 HB2 LEU 18 HB2 LEU 18 2.074 -1.850 0.338 141 HB3 LEU 18 HB3 LEU 18 3.044 -3.014 1.220 142 HG LEU 18 HG LEU 18 0.936 -3.883 0.211 143 HD11 LEU 18 HD11 LEU 18 2.116 -5.076 1.970 144 HD12 LEU 18 HD12 LEU 18 0.372 -5.264 2.152 145 HD13 LEU 18 HD13 LEU 18 1.251 -4.146 3.194 146 HD21 LEU 18 HD21 LEU 18 -1.144 -3.524 1.509 147 HD22 LEU 18 HD22 LEU 18 -0.590 -2.094 0.643 148 HD23 LEU 18 HD23 LEU 18 -0.327 -2.228 2.380 149 H TYR 19 H TYR 19 3.337 0.575 1.713 150 HA TYR 19 HA TYR 19 6.033 -0.237 1.943 151 HB2 TYR 19 HB2 TYR 19 5.370 1.661 0.558 152 HB3 TYR 19 HB3 TYR 19 4.856 2.543 1.990 153 HD1 TYR 19 HD1 TYR 19 7.827 1.111 0.297 154 HD2 TYR 19 HD2 TYR 19 6.382 3.813 3.248 155 HE1 TYR 19 HE1 TYR 19 10.085 2.052 0.533 156 HE2 TYR 19 HE2 TYR 19 8.637 4.762 3.492 157 HH TYR 19 HH TYR 19 10.971 4.087 3.095 158 H ARG 20 H ARG 20 4.391 2.197 4.022 159 HA ARG 20 HA ARG 20 6.215 2.162 6.013 160 HB2 ARG 20 HB2 ARG 20 4.364 3.735 5.975 161 HB3 ARG 20 HB3 ARG 20 3.215 2.448 6.304 162 HG2 ARG 20 HG2 ARG 20 5.400 2.934 8.260 163 HG3 ARG 20 HG3 ARG 20 4.047 4.062 8.199 164 HD2 ARG 20 HD2 ARG 20 2.492 2.185 8.513 165 HD3 ARG 20 HD3 ARG 20 3.860 1.079 8.610 166 HE ARG 20 HE ARG 20 4.230 3.078 10.522 167 HH11 ARG 20 HH11 ARG 20 2.052 0.441 9.856 168 HH12 ARG 20 HH12 ARG 20 1.682 0.155 11.524 169 HH21 ARG 20 HH21 ARG 20 3.749 2.709 12.720 170 HH22 ARG 20 HH22 ARG 20 2.647 1.445 13.151 171 H GLU 21 H GLU 21 3.233 0.212 6.283 172 HA GLU 21 HA GLU 21 3.872 -1.330 8.277 173 HB2 GLU 21 HB2 GLU 21 1.763 -1.571 7.093 174 HB3 GLU 21 HB3 GLU 21 2.578 -2.363 5.750 175 HG2 GLU 21 HG2 GLU 21 1.481 -4.010 7.088 176 HG3 GLU 21 HG3 GLU 21 3.223 -4.195 7.263 177 H HIS 22 H HIS 22 5.522 -1.501 5.273 178 HA HIS 22 HA HIS 22 6.561 -4.196 5.711 179 HB2 HIS 22 HB2 HIS 22 6.152 -3.684 3.419 180 HB3 HIS 22 HB3 HIS 22 7.024 -2.162 3.530 181 HD1 HIS 22 HD1 HIS 22 7.464 -5.725 2.783 182 HD2 HIS 22 HD2 HIS 22 9.892 -2.495 3.748 183 HE1 HIS 22 HE1 HIS 22 9.795 -6.423 2.148 184 HE2 HIS 22 HE2 HIS 22 11.232 -4.418 2.655 185 H LEU 23 H LEU 23 7.593 -0.819 5.696 186 HA LEU 23 HA LEU 23 10.214 -1.378 6.581 187 HB2 LEU 23 HB2 LEU 23 8.542 1.099 6.401 188 HB3 LEU 23 HB3 LEU 23 10.102 1.147 7.199 189 HG LEU 23 HG LEU 23 11.057 0.184 5.056 190 HD11 LEU 23 HD11 LEU 23 9.814 0.536 3.017 191 HD12 LEU 23 HD12 LEU 23 8.430 1.121 3.940 192 HD13 LEU 23 HD13 LEU 23 8.938 -0.562 4.084 193 HD21 LEU 23 HD21 LEU 23 9.847 2.937 5.009 194 HD22 LEU 23 HD22 LEU 23 11.177 2.382 3.994 195 HD23 LEU 23 HD23 LEU 23 11.387 2.492 5.741 196 H ASN 24 H ASN 24 7.529 -1.969 8.208 197 HA ASN 24 HA ASN 24 8.067 -0.799 10.729 198 HB2 ASN 24 HB2 ASN 24 6.137 -2.767 9.658 199 HB3 ASN 24 HB3 ASN 24 6.465 -2.859 11.387 200 HD21 ASN 24 HD21 ASN 24 5.930 -1.138 12.713 201 HD22 ASN 24 HD22 ASN 24 4.845 0.104 12.200 202 HA PRO 25 HA PRO 25 11.298 -3.786 11.809 203 HB2 PRO 25 HB2 PRO 25 11.599 -2.080 14.167 204 HB3 PRO 25 HB3 PRO 25 12.773 -2.451 12.908 205 HG2 PRO 25 HG2 PRO 25 11.649 -0.007 13.173 206 HG3 PRO 25 HG3 PRO 25 12.132 -0.671 11.601 207 HD2 PRO 25 HD2 PRO 25 9.405 -0.499 12.826 208 HD3 PRO 25 HD3 PRO 25 9.906 -0.241 11.148 209 H ASN 26 H ASN 26 8.977 -2.283 13.988 210 HA ASN 26 HA ASN 26 8.977 -4.645 15.715 211 HB2 ASN 26 HB2 ASN 26 7.902 -1.848 16.070 212 HB3 ASN 26 HB3 ASN 26 7.503 -3.159 17.174 213 HD21 ASN 26 HD21 ASN 26 9.101 -4.000 18.514 214 HD22 ASN 26 HD22 ASN 26 10.588 -3.169 18.803 215 H GLY 27 H GLY 27 7.797 -4.652 13.041 216 HA2 GLY 27 HA2 GLY 27 5.108 -5.356 13.745 217 HA3 GLY 27 HA3 GLY 27 5.192 -4.049 12.571 218 H HIS 28 H HIS 28 3.947 -5.894 11.448 219 HA HIS 28 HA HIS 28 5.665 -7.991 10.365 220 HB2 HIS 28 HB2 HIS 28 2.718 -7.427 9.970 221 HB3 HIS 28 HB3 HIS 28 3.582 -8.788 9.265 222 HD1 HIS 28 HD1 HIS 28 3.888 -10.831 10.704 223 HD2 HIS 28 HD2 HIS 28 2.467 -7.560 12.836 224 HE1 HIS 28 HE1 HIS 28 3.269 -11.724 12.971 225 HE2 HIS 28 HE2 HIS 28 2.347 -9.739 14.222 226 H HIS 29 H HIS 29 6.389 -8.035 8.289 227 HA HIS 29 HA HIS 29 6.370 -5.563 6.824 228 HB2 HIS 29 HB2 HIS 29 7.544 -8.275 6.179 229 HB3 HIS 29 HB3 HIS 29 7.772 -6.839 5.188 230 HD1 HIS 29 HD1 HIS 29 10.000 -5.870 5.586 231 HD2 HIS 29 HD2 HIS 29 8.386 -7.482 9.059 232 HE1 HIS 29 HE1 HIS 29 11.714 -5.454 7.379 233 HE2 HIS 29 HE2 HIS 29 10.676 -6.358 9.490 234 H PHE 30 H PHE 30 3.791 -6.681 7.138 235 HA PHE 30 HA PHE 30 2.850 -6.620 4.466 236 HB2 PHE 30 HB2 PHE 30 1.887 -8.850 4.308 237 HB3 PHE 30 HB3 PHE 30 3.627 -8.976 4.517 238 HD1 PHE 30 HD1 PHE 30 0.371 -9.353 6.192 239 HD2 PHE 30 HD2 PHE 30 4.562 -10.056 6.421 240 HE1 PHE 30 HE1 PHE 30 0.009 -10.841 8.114 241 HE2 PHE 30 HE2 PHE 30 4.207 -11.548 8.347 242 HZ PHE 30 HZ PHE 30 1.926 -11.942 9.194 243 H LEU 31 H LEU 31 0.432 -7.195 4.421 244 HA LEU 31 HA LEU 31 -1.014 -7.125 6.915 245 HB2 LEU 31 HB2 LEU 31 -0.525 -4.727 5.281 246 HB3 LEU 31 HB3 LEU 31 -2.202 -5.001 5.703 247 HG LEU 31 HG LEU 31 0.045 -4.837 7.708 248 HD11 LEU 31 HD11 LEU 31 -0.236 -2.696 6.613 249 HD12 LEU 31 HD12 LEU 31 -0.878 -2.625 8.254 250 HD13 LEU 31 HD13 LEU 31 -1.978 -2.762 6.882 251 HD21 LEU 31 HD21 LEU 31 -1.853 -6.164 8.465 252 HD22 LEU 31 HD22 LEU 31 -2.948 -4.844 8.054 253 HD23 LEU 31 HD23 LEU 31 -1.762 -4.635 9.341 254 H THR 32 H THR 32 -3.410 -7.116 6.487 255 HA THR 32 HA THR 32 -3.889 -8.788 4.118 256 HB THR 32 HB THR 32 -5.954 -9.521 5.212 257 HG1 THR 32 HG1 THR 32 -5.866 -8.830 7.636 258 HG21 THR 32 HG21 THR 32 -4.944 -10.789 7.063 259 HG22 THR 32 HG22 THR 32 -3.524 -9.746 6.994 260 HG23 THR 32 HG23 THR 32 -3.914 -10.795 5.632 261 H LYS 33 H LYS 33 -5.402 -8.177 2.597 262 HA LYS 33 HA LYS 33 -6.045 -5.720 2.015 263 HB2 LYS 33 HB2 LYS 33 -6.693 -7.955 0.844 264 HB3 LYS 33 HB3 LYS 33 -8.237 -7.732 1.641 265 HG2 LYS 33 HG2 LYS 33 -7.034 -5.592 -0.080 266 HG3 LYS 33 HG3 LYS 33 -8.009 -6.897 -0.755 267 HD2 LYS 33 HD2 LYS 33 -9.826 -6.241 0.850 268 HD3 LYS 33 HD3 LYS 33 -8.856 -4.827 1.265 269 HE2 LYS 33 HE2 LYS 33 -8.944 -4.054 -1.035 270 HE3 LYS 33 HE3 LYS 33 -9.825 -5.506 -1.510 271 HZ1 LYS 33 HZ1 LYS 33 -11.637 -4.817 -0.044 272 HZ2 LYS 33 HZ2 LYS 33 -11.326 -3.656 -1.233 273 HZ3 LYS 33 HZ3 LYS 33 -10.793 -3.404 0.352 274 H GLU 34 H GLU 34 -7.839 -7.596 4.379 275 HA GLU 34 HA GLU 34 -10.062 -5.794 4.589 276 HB2 GLU 34 HB2 GLU 34 -10.564 -7.047 6.659 277 HB3 GLU 34 HB3 GLU 34 -10.337 -8.100 5.271 278 HG2 GLU 34 HG2 GLU 34 -8.070 -8.603 6.025 279 HG3 GLU 34 HG3 GLU 34 -8.302 -7.548 7.419 280 H GLU 35 H GLU 35 -6.911 -6.136 6.100 281 HA GLU 35 HA GLU 35 -7.443 -4.268 8.222 282 HB2 GLU 35 HB2 GLU 35 -4.911 -5.531 7.181 283 HB3 GLU 35 HB3 GLU 35 -4.910 -4.348 8.481 284 HG2 GLU 35 HG2 GLU 35 -6.334 -5.801 9.821 285 HG3 GLU 35 HG3 GLU 35 -6.362 -6.984 8.514 286 H LEU 36 H LEU 36 -5.593 -4.117 5.181 287 HA LEU 36 HA LEU 36 -4.799 -1.601 5.201 288 HB2 LEU 36 HB2 LEU 36 -6.079 -2.763 2.742 289 HB3 LEU 36 HB3 LEU 36 -4.780 -1.589 2.816 290 HG LEU 36 HG LEU 36 -4.616 -4.485 3.610 291 HD11 LEU 36 HD11 LEU 36 -2.994 -4.607 1.746 292 HD12 LEU 36 HD12 LEU 36 -3.426 -2.955 1.308 293 HD13 LEU 36 HD13 LEU 36 -4.637 -4.236 1.225 294 HD21 LEU 36 HD21 LEU 36 -3.220 -3.176 5.079 295 HD22 LEU 36 HD22 LEU 36 -2.534 -2.310 3.705 296 HD23 LEU 36 HD23 LEU 36 -2.205 -4.029 3.916 297 H LEU 37 H LEU 37 -8.113 -2.584 4.747 298 HA LEU 37 HA LEU 37 -9.274 -0.348 3.623 299 HB2 LEU 37 HB2 LEU 37 -10.358 -2.054 5.869 300 HB3 LEU 37 HB3 LEU 37 -11.311 -0.953 4.893 301 HG LEU 37 HG LEU 37 -9.861 -3.383 3.837 302 HD11 LEU 37 HD11 LEU 37 -12.090 -4.352 3.596 303 HD12 LEU 37 HD12 LEU 37 -12.794 -2.936 4.377 304 HD13 LEU 37 HD13 LEU 37 -11.721 -4.001 5.285 305 HD21 LEU 37 HD21 LEU 37 -11.165 -2.960 1.800 306 HD22 LEU 37 HD22 LEU 37 -10.067 -1.630 2.169 307 HD23 LEU 37 HD23 LEU 37 -11.790 -1.475 2.518 308 H GLN 38 H GLN 38 -8.185 -0.830 6.934 309 HA GLN 38 HA GLN 38 -9.406 1.640 7.893 310 HB2 GLN 38 HB2 GLN 38 -8.975 -0.579 9.244 311 HB3 GLN 38 HB3 GLN 38 -7.356 0.083 9.420 312 HG2 GLN 38 HG2 GLN 38 -9.903 1.453 10.254 313 HG3 GLN 38 HG3 GLN 38 -8.798 0.601 11.326 314 HE21 GLN 38 HE21 GLN 38 -9.363 3.463 9.480 315 HE22 GLN 38 HE22 GLN 38 -8.033 4.379 10.094 316 H ARG 39 H ARG 39 -6.255 0.237 7.182 317 HA ARG 39 HA ARG 39 -4.556 2.265 7.756 318 HB2 ARG 39 HB2 ARG 39 -4.442 0.558 5.269 319 HB3 ARG 39 HB3 ARG 39 -3.084 1.374 6.034 320 HG2 ARG 39 HG2 ARG 39 -4.726 -0.699 7.435 321 HG3 ARG 39 HG3 ARG 39 -3.308 -1.097 6.464 322 HD2 ARG 39 HD2 ARG 39 -1.894 0.222 7.880 323 HD3 ARG 39 HD3 ARG 39 -3.283 0.844 8.766 324 HE ARG 39 HE ARG 39 -3.275 -1.949 8.970 325 HH11 ARG 39 HH11 ARG 39 -1.407 0.797 10.024 326 HH12 ARG 39 HH12 ARG 39 -0.838 0.020 11.464 327 HH21 ARG 39 HH21 ARG 39 -2.531 -2.980 10.862 328 HH22 ARG 39 HH22 ARG 39 -1.476 -2.127 11.940 329 H CYS 40 H CYS 40 -6.381 1.882 4.756 330 HA CYS 40 HA CYS 40 -5.359 4.068 3.343 331 HB2 CYS 40 HB2 CYS 40 -6.750 2.344 2.292 332 HB3 CYS 40 HB3 CYS 40 -8.141 2.884 3.224 333 HG CYS 40 HG CYS 40 -8.753 5.004 1.801 334 H ALA 41 H ALA 41 -7.900 3.869 5.769 335 HA ALA 41 HA ALA 41 -8.884 6.460 5.508 336 HB1 ALA 41 HB1 ALA 41 -10.005 4.691 6.791 337 HB2 ALA 41 HB2 ALA 41 -9.828 6.176 7.726 338 HB3 ALA 41 HB3 ALA 41 -8.755 4.810 8.030 339 H GLN 42 H GLN 42 -5.784 6.005 5.907 340 HA GLN 42 HA GLN 42 -5.425 7.909 8.095 341 HB2 GLN 42 HB2 GLN 42 -4.318 5.789 8.683 342 HB3 GLN 42 HB3 GLN 42 -3.446 5.817 7.156 343 HG2 GLN 42 HG2 GLN 42 -2.306 7.864 7.840 344 HG3 GLN 42 HG3 GLN 42 -3.182 7.840 9.370 345 HE21 GLN 42 HE21 GLN 42 -2.652 6.303 10.922 346 HE22 GLN 42 HE22 GLN 42 -1.175 5.410 10.865 347 H LYS 43 H LYS 43 -4.855 6.841 4.870 348 HA LYS 43 HA LYS 43 -2.895 8.607 3.973 349 HB2 LYS 43 HB2 LYS 43 -4.069 6.607 2.803 350 HB3 LYS 43 HB3 LYS 43 -5.237 7.811 2.274 351 HG2 LYS 43 HG2 LYS 43 -3.837 7.918 0.507 352 HG3 LYS 43 HG3 LYS 43 -3.001 9.067 1.552 353 HD2 LYS 43 HD2 LYS 43 -2.350 6.145 1.198 354 HD3 LYS 43 HD3 LYS 43 -1.411 7.511 0.604 355 HE2 LYS 43 HE2 LYS 43 -1.019 8.217 2.933 356 HE3 LYS 43 HE3 LYS 43 -1.917 6.808 3.494 357 HZ1 LYS 43 HZ1 LYS 43 -0.247 5.436 2.266 358 HZ2 LYS 43 HZ2 LYS 43 0.360 6.269 3.607 359 HZ3 LYS 43 HZ3 LYS 43 0.666 6.844 2.047 360 H SER 44 H SER 44 -6.428 8.932 3.910 361 HA SER 44 HA SER 44 -6.097 11.850 3.787 362 HB2 SER 44 HB2 SER 44 -6.771 11.065 1.571 363 HB3 SER 44 HB3 SER 44 -8.130 10.189 2.274 364 HG SER 44 HG SER 44 -9.027 12.058 1.666 365 HA PRO 45 HA PRO 45 -8.581 12.009 7.442 366 HB2 PRO 45 HB2 PRO 45 -9.910 14.336 6.139 367 HB3 PRO 45 HB3 PRO 45 -9.156 14.217 7.733 368 HG2 PRO 45 HG2 PRO 45 -7.924 15.484 5.744 369 HG3 PRO 45 HG3 PRO 45 -7.012 14.479 6.886 370 HD2 PRO 45 HD2 PRO 45 -7.825 13.893 4.073 371 HD3 PRO 45 HD3 PRO 45 -6.336 13.454 4.934 372 H ARG 46 H ARG 46 -10.759 13.355 4.982 373 HA ARG 46 HA ARG 46 -12.788 11.465 5.764 374 HB2 ARG 46 HB2 ARG 46 -12.866 13.721 3.751 375 HB3 ARG 46 HB3 ARG 46 -14.260 12.801 4.301 376 HG2 ARG 46 HG2 ARG 46 -13.916 13.623 6.571 377 HG3 ARG 46 HG3 ARG 46 -12.507 14.536 6.029 378 HD2 ARG 46 HD2 ARG 46 -13.933 15.832 4.519 379 HD3 ARG 46 HD3 ARG 46 -15.340 14.918 5.062 380 HE ARG 46 HE ARG 46 -14.130 16.036 7.311 381 HH11 ARG 46 HH11 ARG 46 -15.777 17.085 4.425 382 HH12 ARG 46 HH12 ARG 46 -16.398 18.530 5.152 383 HH21 ARG 46 HH21 ARG 46 -14.945 17.935 8.275 384 HH22 ARG 46 HH22 ARG 46 -15.926 19.013 7.338 385 H VAL 47 H VAL 47 -12.586 9.472 4.933 386 HA VAL 47 HA VAL 47 -12.224 9.242 2.019 387 HB VAL 47 HB VAL 47 -11.355 6.919 2.498 388 HG11 VAL 47 HG11 VAL 47 -9.780 9.258 3.574 389 HG12 VAL 47 HG12 VAL 47 -9.862 8.740 1.891 390 HG13 VAL 47 HG13 VAL 47 -9.101 7.702 3.097 391 HG21 VAL 47 HG21 VAL 47 -11.183 7.996 5.314 392 HG22 VAL 47 HG22 VAL 47 -10.466 6.490 4.741 393 HG23 VAL 47 HG23 VAL 47 -12.219 6.676 4.769 394 H ALA 48 H ALA 48 -14.431 9.287 1.543 395 HA ALA 48 HA ALA 48 -16.398 7.788 2.708 396 HB1 ALA 48 HB1 ALA 48 -16.803 9.553 1.055 397 HB2 ALA 48 HB2 ALA 48 -17.680 8.076 0.661 398 HB3 ALA 48 HB3 ALA 48 -16.210 8.490 -0.220 399 HA PRO 49 HA PRO 49 -15.952 3.490 1.850 400 HB2 PRO 49 HB2 PRO 49 -18.678 3.587 0.646 401 HB3 PRO 49 HB3 PRO 49 -18.040 2.520 1.902 402 HG2 PRO 49 HG2 PRO 49 -19.663 4.529 2.535 403 HG3 PRO 49 HG3 PRO 49 -18.284 4.115 3.569 404 HD2 PRO 49 HD2 PRO 49 -18.610 6.384 1.658 405 HD3 PRO 49 HD3 PRO 49 -17.765 6.333 3.219 406 H GLY 50 H GLY 50 -17.343 5.476 -0.725 407 HA2 GLY 50 HA2 GLY 50 -15.918 3.780 -2.680 408 HA3 GLY 50 HA3 GLY 50 -17.442 4.590 -3.015 409 H SER 51 H SER 51 -14.632 5.939 -1.358 410 HA SER 51 HA SER 51 -14.623 8.158 -3.240 411 HB2 SER 51 HB2 SER 51 -13.016 9.186 -1.663 412 HB3 SER 51 HB3 SER 51 -14.499 8.681 -0.854 413 HG SER 51 HG SER 51 -12.658 8.051 0.325 414 H ALA 52 H ALA 52 -13.376 5.205 -3.378 415 HA ALA 52 HA ALA 52 -11.102 6.088 -4.974 416 HB1 ALA 52 HB1 ALA 52 -10.154 5.656 -2.759 417 HB2 ALA 52 HB2 ALA 52 -9.565 4.498 -3.953 418 HB3 ALA 52 HB3 ALA 52 -10.810 4.019 -2.798 419 HA PRO 53 HA PRO 53 -12.514 3.044 -7.848 420 HB2 PRO 53 HB2 PRO 53 -9.639 2.442 -8.308 421 HB3 PRO 53 HB3 PRO 53 -10.886 2.917 -9.465 422 HG2 PRO 53 HG2 PRO 53 -9.018 4.650 -8.705 423 HG3 PRO 53 HG3 PRO 53 -10.696 5.172 -8.943 424 HD2 PRO 53 HD2 PRO 53 -9.221 4.629 -6.398 425 HD3 PRO 53 HD3 PRO 53 -10.396 5.909 -6.771 426 HA PRO 54 HA PRO 54 -12.568 -1.081 -6.260 427 HB2 PRO 54 HB2 PRO 54 -11.179 -1.959 -8.760 428 HB3 PRO 54 HB3 PRO 54 -12.619 -2.625 -7.981 429 HG2 PRO 54 HG2 PRO 54 -12.836 -1.086 -10.141 430 HG3 PRO 54 HG3 PRO 54 -14.004 -0.963 -8.812 431 HD2 PRO 54 HD2 PRO 54 -11.807 0.887 -9.580 432 HD3 PRO 54 HD3 PRO 54 -13.367 1.239 -8.812 433 H TRP 55 H TRP 55 -11.266 -1.986 -4.793 434 HA TRP 55 HA TRP 55 -8.438 -1.467 -4.903 435 HB2 TRP 55 HB2 TRP 55 -10.357 -1.991 -2.849 436 HB3 TRP 55 HB3 TRP 55 -8.999 -3.102 -2.679 437 HD1 TRP 55 HD1 TRP 55 -9.141 0.664 -3.609 438 HE1 TRP 55 HE1 TRP 55 -7.451 1.912 -2.121 439 HE3 TRP 55 HE3 TRP 55 -7.467 -3.270 -0.794 440 HZ2 TRP 55 HZ2 TRP 55 -5.644 1.300 -0.038 441 HZ3 TRP 55 HZ3 TRP 55 -5.780 -2.847 0.908 442 HH2 TRP 55 HH2 TRP 55 -4.885 -0.614 1.293 443 HA PRO 56 HA PRO 56 -8.756 -6.467 -5.086 444 HB2 PRO 56 HB2 PRO 56 -10.337 -6.216 -7.612 445 HB3 PRO 56 HB3 PRO 56 -10.326 -7.521 -6.418 446 HG2 PRO 56 HG2 PRO 56 -12.322 -5.767 -6.474 447 HG3 PRO 56 HG3 PRO 56 -11.670 -6.350 -4.931 448 HD2 PRO 56 HD2 PRO 56 -11.301 -3.718 -6.272 449 HD3 PRO 56 HD3 PRO 56 -11.375 -4.104 -4.542 450 H ALA 57 H ALA 57 -8.314 -3.829 -7.244 451 HA ALA 57 HA ALA 57 -6.879 -4.889 -9.318 452 HB1 ALA 57 HB1 ALA 57 -7.540 -2.538 -9.167 453 HB2 ALA 57 HB2 ALA 57 -5.829 -2.709 -9.563 454 HB3 ALA 57 HB3 ALA 57 -6.317 -2.278 -7.923 455 H LEU 58 H LEU 58 -5.907 -4.638 -6.006 456 HA LEU 58 HA LEU 58 -3.114 -4.540 -6.274 457 HB2 LEU 58 HB2 LEU 58 -3.110 -5.699 -4.032 458 HB3 LEU 58 HB3 LEU 58 -3.964 -4.172 -4.122 459 HG LEU 58 HG LEU 58 -6.065 -5.694 -4.493 460 HD11 LEU 58 HD11 LEU 58 -4.897 -7.804 -4.674 461 HD12 LEU 58 HD12 LEU 58 -5.895 -7.797 -3.222 462 HD13 LEU 58 HD13 LEU 58 -4.153 -7.555 -3.096 463 HD21 LEU 58 HD21 LEU 58 -6.415 -5.718 -2.069 464 HD22 LEU 58 HD22 LEU 58 -5.738 -4.185 -2.618 465 HD23 LEU 58 HD23 LEU 58 -4.703 -5.371 -1.824 466 H ARG 59 H ARG 59 -5.349 -7.300 -6.310 467 HA ARG 59 HA ARG 59 -3.584 -9.319 -6.483 468 HB2 ARG 59 HB2 ARG 59 -6.096 -9.063 -8.154 469 HB3 ARG 59 HB3 ARG 59 -5.250 -10.567 -7.815 470 HG2 ARG 59 HG2 ARG 59 -5.728 -10.315 -5.440 471 HG3 ARG 59 HG3 ARG 59 -6.553 -8.789 -5.762 472 HD2 ARG 59 HD2 ARG 59 -8.148 -10.618 -5.509 473 HD3 ARG 59 HD3 ARG 59 -8.192 -9.955 -7.141 474 HE ARG 59 HE ARG 59 -6.419 -12.144 -7.051 475 HH11 ARG 59 HH11 ARG 59 -9.822 -11.407 -6.937 476 HH12 ARG 59 HH12 ARG 59 -10.306 -12.930 -7.606 477 HH21 ARG 59 HH21 ARG 59 -7.046 -14.151 -7.932 478 HH22 ARG 59 HH22 ARG 59 -8.728 -14.490 -8.170 479 H SER 60 H SER 60 -4.817 -7.527 -9.296 480 HA SER 60 HA SER 60 -3.196 -8.550 -11.193 481 HB2 SER 60 HB2 SER 60 -4.050 -5.651 -10.980 482 HB3 SER 60 HB3 SER 60 -3.491 -6.443 -12.454 483 HG SER 60 HG SER 60 -5.793 -6.374 -12.271 484 H LEU 61 H LEU 61 -2.291 -6.345 -8.672 485 HA LEU 61 HA LEU 61 0.111 -5.378 -9.907 486 HB2 LEU 61 HB2 LEU 61 -1.093 -5.194 -7.185 487 HB3 LEU 61 HB3 LEU 61 0.632 -4.908 -7.355 488 HG LEU 61 HG LEU 61 -0.163 -3.274 -9.271 489 HD11 LEU 61 HD11 LEU 61 -2.259 -2.191 -8.775 490 HD12 LEU 61 HD12 LEU 61 -2.541 -3.288 -7.424 491 HD13 LEU 61 HD13 LEU 61 -2.531 -3.907 -9.075 492 HD21 LEU 61 HD21 LEU 61 -0.297 -2.675 -6.325 493 HD22 LEU 61 HD22 LEU 61 -0.199 -1.461 -7.601 494 HD23 LEU 61 HD23 LEU 61 1.129 -2.598 -7.359 495 H LEU 62 H LEU 62 -0.777 -8.115 -7.900 496 HA LEU 62 HA LEU 62 1.748 -8.947 -7.024 497 HB2 LEU 62 HB2 LEU 62 -0.564 -10.664 -7.932 498 HB3 LEU 62 HB3 LEU 62 0.778 -11.200 -6.945 499 HG LEU 62 HG LEU 62 -1.050 -9.012 -5.998 500 HD11 LEU 62 HD11 LEU 62 -2.362 -10.713 -4.831 501 HD12 LEU 62 HD12 LEU 62 -1.439 -11.981 -5.638 502 HD13 LEU 62 HD13 LEU 62 -2.471 -10.906 -6.579 503 HD21 LEU 62 HD21 LEU 62 0.587 -11.064 -4.514 504 HD22 LEU 62 HD22 LEU 62 -0.297 -9.707 -3.814 505 HD23 LEU 62 HD23 LEU 62 1.107 -9.413 -4.840 506 H HIS 63 H HIS 63 -0.001 -9.423 -10.019 507 HA HIS 63 HA HIS 63 1.824 -11.070 -11.319 508 HB2 HIS 63 HB2 HIS 63 -0.484 -10.687 -12.080 509 HB3 HIS 63 HB3 HIS 63 -0.073 -9.029 -12.499 510 HD1 HIS 63 HD1 HIS 63 0.191 -12.528 -13.713 511 HD2 HIS 63 HD2 HIS 63 1.509 -8.750 -14.838 512 HE1 HIS 63 HE1 HIS 63 1.007 -12.777 -16.079 513 HE2 HIS 63 HE2 HIS 63 1.720 -10.460 -16.767 514 H ARG 64 H ARG 64 1.577 -7.522 -11.234 515 HA ARG 64 HA ARG 64 3.737 -7.061 -12.940 516 HB2 ARG 64 HB2 ARG 64 2.637 -5.301 -10.741 517 HB3 ARG 64 HB3 ARG 64 3.695 -4.766 -12.037 518 HG2 ARG 64 HG2 ARG 64 0.946 -5.927 -12.431 519 HG3 ARG 64 HG3 ARG 64 1.329 -4.205 -12.421 520 HD2 ARG 64 HD2 ARG 64 2.824 -4.533 -14.335 521 HD3 ARG 64 HD3 ARG 64 2.429 -6.252 -14.345 522 HE ARG 64 HE ARG 64 0.036 -4.855 -14.533 523 HH11 ARG 64 HH11 ARG 64 2.946 -5.281 -16.400 524 HH12 ARG 64 HH12 ARG 64 2.159 -5.036 -17.923 525 HH21 ARG 64 HH21 ARG 64 -1.009 -4.531 -16.533 526 HH22 ARG 64 HH22 ARG 64 -0.089 -4.609 -17.999 527 H ASN 65 H ASN 65 3.720 -8.334 -9.847 528 HA ASN 65 HA ASN 65 5.395 -9.019 -8.487 529 HB2 ASN 65 HB2 ASN 65 6.651 -9.088 -10.815 530 HB3 ASN 65 HB3 ASN 65 7.527 -7.723 -10.125 531 HD21 ASN 65 HD21 ASN 65 6.201 -10.328 -8.234 532 HD22 ASN 65 HD22 ASN 65 7.707 -11.014 -7.759 533 H LEU 66 H LEU 66 4.131 -6.323 -8.443 534 HA LEU 66 HA LEU 66 6.199 -4.736 -7.118 535 HB2 LEU 66 HB2 LEU 66 3.317 -3.958 -7.415 536 HB3 LEU 66 HB3 LEU 66 4.692 -2.915 -7.137 537 HG LEU 66 HG LEU 66 3.749 -4.151 -9.688 538 HD11 LEU 66 HD11 LEU 66 3.151 -1.849 -9.082 539 HD12 LEU 66 HD12 LEU 66 4.151 -1.923 -10.534 540 HD13 LEU 66 HD13 LEU 66 4.867 -1.445 -8.994 541 HD21 LEU 66 HD21 LEU 66 5.912 -3.617 -10.739 542 HD22 LEU 66 HD22 LEU 66 6.043 -4.920 -9.560 543 HD23 LEU 66 HD23 LEU 66 6.586 -3.297 -9.143 544 H VAL 67 H VAL 67 3.444 -6.687 -6.451 545 HA VAL 67 HA VAL 67 3.829 -6.247 -3.565 546 HB VAL 67 HB VAL 67 1.417 -7.012 -3.324 547 HG11 VAL 67 HG11 VAL 67 0.502 -4.803 -3.725 548 HG12 VAL 67 HG12 VAL 67 1.864 -4.407 -4.771 549 HG13 VAL 67 HG13 VAL 67 2.125 -4.671 -3.047 550 HG21 VAL 67 HG21 VAL 67 1.255 -7.925 -5.618 551 HG22 VAL 67 HG22 VAL 67 1.264 -6.274 -6.233 552 HG23 VAL 67 HG23 VAL 67 -0.052 -6.823 -5.195 553 H LEU 68 H LEU 68 3.090 -8.232 -2.282 554 HA LEU 68 HA LEU 68 3.564 -10.710 -3.807 555 HB2 LEU 68 HB2 LEU 68 5.440 -9.591 -2.253 556 HB3 LEU 68 HB3 LEU 68 4.568 -10.488 -1.029 557 HG LEU 68 HG LEU 68 5.792 -11.706 -3.505 558 HD11 LEU 68 HD11 LEU 68 7.435 -12.662 -1.970 559 HD12 LEU 68 HD12 LEU 68 6.716 -11.762 -0.636 560 HD13 LEU 68 HD13 LEU 68 7.494 -10.900 -1.963 561 HD21 LEU 68 HD21 LEU 68 4.509 -12.980 -1.090 562 HD22 LEU 68 HD22 LEU 68 5.321 -13.840 -2.399 563 HD23 LEU 68 HD23 LEU 68 3.841 -12.936 -2.722 564 H ARG 69 H ARG 69 2.063 -12.261 -3.445 565 HA ARG 69 HA ARG 69 0.065 -11.757 -1.358 566 HB2 ARG 69 HB2 ARG 69 -1.161 -13.664 -2.520 567 HB3 ARG 69 HB3 ARG 69 -1.054 -12.138 -3.391 568 HG2 ARG 69 HG2 ARG 69 0.515 -12.968 -4.895 569 HG3 ARG 69 HG3 ARG 69 0.929 -14.333 -3.854 570 HD2 ARG 69 HD2 ARG 69 -1.273 -15.302 -4.235 571 HD3 ARG 69 HD3 ARG 69 -1.716 -13.927 -5.247 572 HE ARG 69 HE ARG 69 0.612 -15.073 -6.289 573 HH11 ARG 69 HH11 ARG 69 -2.758 -15.847 -5.855 574 HH12 ARG 69 HH12 ARG 69 -2.829 -16.891 -7.235 575 HH21 ARG 69 HH21 ARG 69 0.527 -16.445 -8.109 576 HH22 ARG 69 HH22 ARG 69 -0.961 -17.230 -8.516 577 H THR 70 H THR 70 -0.429 -13.353 0.172 578 HA THR 70 HA THR 70 1.473 -15.585 0.285 579 HB THR 70 HB THR 70 0.348 -14.265 2.740 580 HG1 THR 70 HG1 THR 70 2.826 -13.422 2.258 581 HG21 THR 70 HG21 THR 70 1.465 -16.133 3.469 582 HG22 THR 70 HG22 THR 70 2.815 -15.001 3.401 583 HG23 THR 70 HG23 THR 70 2.558 -16.148 2.086 584 H HIS 71 H HIS 71 0.663 -17.026 2.292 585 HA HIS 71 HA HIS 71 -0.937 -18.948 1.539 586 HB2 HIS 71 HB2 HIS 71 -0.124 -17.818 4.041 587 HB3 HIS 71 HB3 HIS 71 -1.720 -18.528 4.191 588 HD1 HIS 71 HD1 HIS 71 -1.801 -21.146 3.272 589 HD2 HIS 71 HD2 HIS 71 1.901 -19.555 4.287 590 HE1 HIS 71 HE1 HIS 71 -0.285 -23.128 3.592 591 HE2 HIS 71 HE2 HIS 71 1.926 -22.144 4.296 592 H GLN 72 H GLN 72 -2.580 -16.698 3.813 593 HA GLN 72 HA GLN 72 -4.721 -16.037 1.990 594 HB2 GLN 72 HB2 GLN 72 -5.156 -18.393 2.392 595 HB3 GLN 72 HB3 GLN 72 -5.004 -18.157 4.126 596 HG2 GLN 72 HG2 GLN 72 -6.998 -16.743 4.103 597 HG3 GLN 72 HG3 GLN 72 -7.150 -16.996 2.365 598 HE21 GLN 72 HE21 GLN 72 -7.802 -19.003 1.592 599 HE22 GLN 72 HE22 GLN 72 -8.552 -20.180 2.610 600 HA PRO 73 HA PRO 73 -6.941 -15.143 2.190 601 HB2 PRO 73 HB2 PRO 73 -6.779 -12.190 2.152 602 HB3 PRO 73 HB3 PRO 73 -8.205 -13.232 2.116 603 HG2 PRO 73 HG2 PRO 73 -7.567 -11.839 4.306 604 HG3 PRO 73 HG3 PRO 73 -8.253 -13.471 4.418 605 HD2 PRO 73 HD2 PRO 73 -5.413 -12.579 4.742 606 HD3 PRO 73 HD3 PRO 73 -6.325 -13.792 5.664 607 H ALA 74 H ALA 74 -4.072 -13.503 2.785 608 HA ALA 74 HA ALA 74 -2.309 -14.312 1.084 609 HB1 ALA 74 HB1 ALA 74 -2.397 -12.956 -0.999 610 HB2 ALA 74 HB2 ALA 74 -4.011 -12.413 -0.540 611 HB3 ALA 74 HB3 ALA 74 -3.714 -14.119 -0.873 612 H ARG 75 H ARG 75 -1.049 -13.415 2.700 613 HA ARG 75 HA ARG 75 -1.173 -10.709 3.519 614 HB2 ARG 75 HB2 ARG 75 1.267 -12.496 3.546 615 HB3 ARG 75 HB3 ARG 75 0.976 -11.095 4.558 616 HG2 ARG 75 HG2 ARG 75 -0.577 -12.198 5.872 617 HG3 ARG 75 HG3 ARG 75 -0.893 -13.423 4.644 618 HD2 ARG 75 HD2 ARG 75 1.192 -14.494 5.055 619 HD3 ARG 75 HD3 ARG 75 1.752 -13.153 6.060 620 HE ARG 75 HE ARG 75 -0.585 -14.216 7.188 621 HH11 ARG 75 HH11 ARG 75 2.739 -15.096 6.618 622 HH12 ARG 75 HH12 ARG 75 2.829 -16.149 7.991 623 HH21 ARG 75 HH21 ARG 75 -0.474 -15.599 8.996 624 HH22 ARG 75 HH22 ARG 75 1.002 -16.436 9.342 625 H TYR 76 H TYR 76 -0.635 -8.922 2.387 626 HA TYR 76 HA TYR 76 1.039 -9.236 0.071 627 HB2 TYR 76 HB2 TYR 76 -0.617 -6.898 1.012 628 HB3 TYR 76 HB3 TYR 76 0.248 -6.969 -0.520 629 HD1 TYR 76 HD1 TYR 76 -0.320 -9.020 -2.040 630 HD2 TYR 76 HD2 TYR 76 -2.832 -7.605 1.089 631 HE1 TYR 76 HE1 TYR 76 -2.239 -10.151 -3.083 632 HE2 TYR 76 HE2 TYR 76 -4.759 -8.734 0.058 633 HH TYR 76 HH TYR 76 -5.447 -9.550 -2.158 634 H SER 77 H SER 77 2.836 -8.041 -0.448 635 HA SER 77 HA SER 77 4.051 -6.361 1.537 636 HB2 SER 77 HB2 SER 77 6.151 -7.635 1.697 637 HB3 SER 77 HB3 SER 77 4.790 -8.565 2.325 638 HG SER 77 HG SER 77 5.916 -9.924 1.009 639 H LEU 78 H LEU 78 5.498 -4.943 0.675 640 HA LEU 78 HA LEU 78 5.442 -4.535 -2.117 641 HB2 LEU 78 HB2 LEU 78 6.963 -3.301 0.147 642 HB3 LEU 78 HB3 LEU 78 7.319 -2.854 -1.505 643 HG LEU 78 HG LEU 78 4.741 -2.431 -0.010 644 HD11 LEU 78 HD11 LEU 78 6.662 -0.876 0.346 645 HD12 LEU 78 HD12 LEU 78 5.219 -0.116 -0.318 646 HD13 LEU 78 HD13 LEU 78 6.586 -0.480 -1.370 647 HD21 LEU 78 HD21 LEU 78 5.340 -1.960 -2.929 648 HD22 LEU 78 HD22 LEU 78 3.906 -1.390 -2.077 649 HD23 LEU 78 HD23 LEU 78 4.186 -3.119 -2.272 650 H THR 79 H THR 79 6.635 -5.541 -3.646 651 HA THR 79 HA THR 79 9.108 -6.786 -2.983 652 HB THR 79 HB THR 79 8.801 -6.664 -5.796 653 HG1 THR 79 HG1 THR 79 6.727 -6.188 -5.895 654 HG21 THR 79 HG21 THR 79 7.979 -8.827 -3.854 655 HG22 THR 79 HG22 THR 79 9.602 -8.597 -4.504 656 HG23 THR 79 HG23 THR 79 8.278 -9.045 -5.579 657 HA PRO 80 HA PRO 80 12.352 -3.993 -4.267 658 HB2 PRO 80 HB2 PRO 80 12.255 -5.062 -7.067 659 HB3 PRO 80 HB3 PRO 80 13.656 -4.675 -6.065 660 HG2 PRO 80 HG2 PRO 80 12.882 -7.192 -6.334 661 HG3 PRO 80 HG3 PRO 80 13.413 -6.586 -4.756 662 HD2 PRO 80 HD2 PRO 80 10.676 -7.223 -5.717 663 HD3 PRO 80 HD3 PRO 80 11.346 -7.309 -4.077 664 H GLU 81 H GLU 81 10.003 -4.323 -6.943 665 HA GLU 81 HA GLU 81 10.439 -1.643 -7.864 666 HB2 GLU 81 HB2 GLU 81 8.205 -3.583 -8.475 667 HB3 GLU 81 HB3 GLU 81 8.498 -2.070 -9.319 668 HG2 GLU 81 HG2 GLU 81 10.696 -2.930 -10.029 669 HG3 GLU 81 HG3 GLU 81 10.315 -4.462 -9.247 670 H GLY 82 H GLY 82 8.018 -3.235 -5.807 671 HA2 GLY 82 HA2 GLY 82 6.267 -0.935 -5.721 672 HA3 GLY 82 HA3 GLY 82 6.179 -2.349 -4.693 673 H LEU 83 H LEU 83 9.121 -2.019 -4.123 674 HA LEU 83 HA LEU 83 8.806 -0.514 -1.722 675 HB2 LEU 83 HB2 LEU 83 10.555 -2.455 -2.643 676 HB3 LEU 83 HB3 LEU 83 11.552 -1.020 -2.548 677 HG LEU 83 HG LEU 83 11.698 -2.336 -0.494 678 HD11 LEU 83 HD11 LEU 83 11.975 0.064 -0.308 679 HD12 LEU 83 HD12 LEU 83 11.147 -0.569 1.116 680 HD13 LEU 83 HD13 LEU 83 10.232 0.272 -0.135 681 HD21 LEU 83 HD21 LEU 83 9.769 -2.576 0.972 682 HD22 LEU 83 HD22 LEU 83 9.487 -3.364 -0.580 683 HD23 LEU 83 HD23 LEU 83 8.744 -1.802 -0.236 684 H GLU 84 H GLU 84 10.920 -0.062 -4.565 685 HA GLU 84 HA GLU 84 11.644 2.527 -3.945 686 HB2 GLU 84 HB2 GLU 84 12.202 2.732 -6.389 687 HB3 GLU 84 HB3 GLU 84 12.910 1.345 -5.573 688 HG2 GLU 84 HG2 GLU 84 11.247 -0.109 -6.525 689 HG3 GLU 84 HG3 GLU 84 10.416 1.268 -7.238 690 H LEU 85 H LEU 85 8.957 1.362 -5.831 691 HA LEU 85 HA LEU 85 8.168 3.851 -6.967 692 HB2 LEU 85 HB2 LEU 85 7.472 1.660 -7.868 693 HB3 LEU 85 HB3 LEU 85 6.566 1.352 -6.402 694 HG LEU 85 HG LEU 85 5.891 3.798 -7.966 695 HD11 LEU 85 HD11 LEU 85 4.387 2.510 -9.399 696 HD12 LEU 85 HD12 LEU 85 5.032 1.010 -8.733 697 HD13 LEU 85 HD13 LEU 85 6.073 2.073 -9.681 698 HD21 LEU 85 HD21 LEU 85 3.642 3.232 -7.174 699 HD22 LEU 85 HD22 LEU 85 4.788 3.356 -5.841 700 HD23 LEU 85 HD23 LEU 85 4.279 1.771 -6.420 701 H ALA 86 H ALA 86 7.274 1.995 -4.082 702 HA ALA 86 HA ALA 86 5.222 3.719 -3.181 703 HB1 ALA 86 HB1 ALA 86 7.006 1.915 -1.552 704 HB2 ALA 86 HB2 ALA 86 5.490 1.449 -2.324 705 HB3 ALA 86 HB3 ALA 86 5.488 2.631 -1.015 706 H GLN 87 H GLN 87 8.724 3.781 -2.759 707 HA GLN 87 HA GLN 87 8.850 5.656 -0.652 708 HB2 GLN 87 HB2 GLN 87 10.739 5.029 -2.922 709 HB3 GLN 87 HB3 GLN 87 11.105 6.244 -1.705 710 HG2 GLN 87 HG2 GLN 87 10.941 4.533 0.038 711 HG3 GLN 87 HG3 GLN 87 10.613 3.320 -1.197 712 HE21 GLN 87 HE21 GLN 87 12.270 2.643 -2.547 713 HE22 GLN 87 HE22 GLN 87 13.932 2.968 -2.205 714 H LYS 88 H LYS 88 8.631 5.999 -4.153 715 HA LYS 88 HA LYS 88 8.659 8.749 -4.247 716 HB2 LYS 88 HB2 LYS 88 7.075 7.007 -6.126 717 HB3 LYS 88 HB3 LYS 88 7.858 8.538 -6.473 718 HG2 LYS 88 HG2 LYS 88 10.053 7.443 -6.074 719 HG3 LYS 88 HG3 LYS 88 9.201 5.912 -5.891 720 HD2 LYS 88 HD2 LYS 88 8.294 6.183 -8.175 721 HD3 LYS 88 HD3 LYS 88 9.253 7.654 -8.352 722 HE2 LYS 88 HE2 LYS 88 11.300 6.349 -7.994 723 HE3 LYS 88 HE3 LYS 88 10.332 4.882 -7.843 724 HZ1 LYS 88 HZ1 LYS 88 9.572 5.195 -10.117 725 HZ2 LYS 88 HZ2 LYS 88 11.259 5.100 -10.060 726 HZ3 LYS 88 HZ3 LYS 88 10.505 6.600 -10.261 727 H LEU 89 H LEU 89 5.859 6.583 -3.989 728 HA LEU 89 HA LEU 89 3.838 8.545 -4.344 729 HB2 LEU 89 HB2 LEU 89 3.961 5.796 -3.147 730 HB3 LEU 89 HB3 LEU 89 2.508 6.767 -3.021 731 HG LEU 89 HG LEU 89 2.254 6.809 -5.410 732 HD11 LEU 89 HD11 LEU 89 4.805 5.236 -5.578 733 HD12 LEU 89 HD12 LEU 89 4.619 6.932 -6.022 734 HD13 LEU 89 HD13 LEU 89 3.762 5.684 -6.926 735 HD21 LEU 89 HD21 LEU 89 1.881 4.445 -5.854 736 HD22 LEU 89 HD22 LEU 89 1.375 4.862 -4.218 737 HD23 LEU 89 HD23 LEU 89 2.901 4.019 -4.480 738 H ALA 90 H ALA 90 5.791 7.425 -1.709 739 HA ALA 90 HA ALA 90 4.368 8.662 0.358 740 HB1 ALA 90 HB1 ALA 90 5.987 6.864 0.713 741 HB2 ALA 90 HB2 ALA 90 6.352 8.267 1.719 742 HB3 ALA 90 HB3 ALA 90 7.298 7.954 0.263 743 H GLU 91 H GLU 91 7.024 9.804 -1.630 744 HA GLU 91 HA GLU 91 7.747 12.091 -0.258 745 HB2 GLU 91 HB2 GLU 91 7.533 12.064 -3.259 746 HB3 GLU 91 HB3 GLU 91 8.706 12.910 -2.257 747 HG2 GLU 91 HG2 GLU 91 9.700 10.786 -1.614 748 HG3 GLU 91 HG3 GLU 91 8.506 9.941 -2.598 749 H SER 92 H SER 92 5.242 11.760 -2.736 750 HA SER 92 HA SER 92 4.289 14.358 -2.526 751 HB2 SER 92 HB2 SER 92 3.897 12.911 -4.457 752 HB3 SER 92 HB3 SER 92 2.856 11.875 -3.482 753 HG SER 92 HG SER 92 2.256 14.173 -4.758 754 H GLU 93 H GLU 93 3.474 11.536 -0.599 755 HA GLU 93 HA GLU 93 0.966 12.640 0.347 756 HB2 GLU 93 HB2 GLU 93 0.927 10.298 0.172 757 HB3 GLU 93 HB3 GLU 93 2.541 10.130 0.844 758 HG2 GLU 93 HG2 GLU 93 0.943 9.353 2.435 759 HG3 GLU 93 HG3 GLU 93 1.675 10.847 3.014 760 H GLY 94 H GLY 94 4.290 12.848 1.032 761 HA2 GLY 94 HA2 GLY 94 5.104 14.633 2.453 762 HA3 GLY 94 HA3 GLY 94 3.633 14.465 3.406 763 H LEU 95 H LEU 95 4.867 11.541 2.323 764 HA LEU 95 HA LEU 95 5.651 9.729 3.411 765 HB2 LEU 95 HB2 LEU 95 7.900 9.930 4.325 766 HB3 LEU 95 HB3 LEU 95 7.744 10.750 2.782 767 HG LEU 95 HG LEU 95 7.417 12.401 5.233 768 HD11 LEU 95 HD11 LEU 95 9.341 11.013 5.797 769 HD12 LEU 95 HD12 LEU 95 9.837 12.669 5.452 770 HD13 LEU 95 HD13 LEU 95 10.088 11.405 4.248 771 HD21 LEU 95 HD21 LEU 95 7.193 13.291 2.923 772 HD22 LEU 95 HD22 LEU 95 8.881 12.868 2.639 773 HD23 LEU 95 HD23 LEU 95 8.467 14.071 3.860 774 H SER 96 H SER 96 3.606 11.017 4.749 775 HA SER 96 HA SER 96 4.323 11.139 7.575 776 HB2 SER 96 HB2 SER 96 1.758 11.722 6.074 777 HB3 SER 96 HB3 SER 96 1.882 11.765 7.836 778 HG SER 96 HG SER 96 2.444 13.765 7.465 779 H LEU 97 H LEU 97 4.788 8.665 6.654 780 HA LEU 97 HA LEU 97 2.413 7.074 7.335 781 HB2 LEU 97 HB2 LEU 97 4.732 6.168 5.631 782 HB3 LEU 97 HB3 LEU 97 3.291 5.247 6.011 783 HG LEU 97 HG LEU 97 2.019 7.139 4.788 784 HD11 LEU 97 HD11 LEU 97 3.339 8.214 3.005 785 HD12 LEU 97 HD12 LEU 97 4.811 7.567 3.729 786 HD13 LEU 97 HD13 LEU 97 3.831 8.733 4.616 787 HD21 LEU 97 HD21 LEU 97 3.797 5.238 3.270 788 HD22 LEU 97 HD22 LEU 97 2.334 6.006 2.658 789 HD23 LEU 97 HD23 LEU 97 2.232 4.846 3.981 790 H LEU 98 H LEU 98 5.838 6.260 7.016 791 HA LEU 98 HA LEU 98 6.184 4.708 9.138 792 HB2 LEU 98 HB2 LEU 98 8.134 6.828 8.234 793 HB3 LEU 98 HB3 LEU 98 8.547 5.486 9.283 794 HG LEU 98 HG LEU 98 7.529 5.196 6.456 795 HD11 LEU 98 HD11 LEU 98 9.819 4.590 5.890 796 HD12 LEU 98 HD12 LEU 98 10.328 4.921 7.545 797 HD13 LEU 98 HD13 LEU 98 9.744 6.234 6.523 798 HD21 LEU 98 HD21 LEU 98 7.010 3.312 7.953 799 HD22 LEU 98 HD22 LEU 98 8.723 3.171 8.344 800 HD23 LEU 98 HD23 LEU 98 8.166 2.873 6.697 801 H ASN 99 H ASN 99 7.226 8.097 9.474 802 HA ASN 99 HA ASN 99 6.649 7.913 12.340 803 HB2 ASN 99 HB2 ASN 99 8.913 8.628 11.757 804 HB3 ASN 99 HB3 ASN 99 8.264 9.950 10.790 805 HD21 ASN 99 HD21 ASN 99 8.828 8.747 13.997 806 HD22 ASN 99 HD22 ASN 99 8.534 10.234 14.826 807 H VAL 100 H VAL 100 5.138 9.149 13.321 808 HA VAL 100 HA VAL 100 3.810 11.247 11.755 809 HB VAL 100 HB VAL 100 1.603 10.498 12.562 810 HG11 VAL 100 HG11 VAL 100 3.128 8.414 11.003 811 HG12 VAL 100 HG12 VAL 100 2.345 9.850 10.339 812 HG13 VAL 100 HG13 VAL 100 1.372 8.571 11.063 813 HG21 VAL 100 HG21 VAL 100 2.317 9.291 14.554 814 HG22 VAL 100 HG22 VAL 100 3.103 8.073 13.549 815 HG23 VAL 100 HG23 VAL 100 1.349 8.251 13.509 816 H GLY 101 H GLY 101 2.794 12.880 12.993 817 HA2 GLY 101 HA2 GLY 101 3.239 12.772 15.905 818 HA3 GLY 101 HA3 GLY 101 3.851 14.126 14.966 819 H ILE 102 H ILE 102 2.650 15.806 15.629 820 HA ILE 102 HA ILE 102 -0.259 15.458 15.846 821 HB ILE 102 HB ILE 102 -0.134 17.777 16.934 822 HG12 ILE 102 HG12 ILE 102 2.097 18.138 18.107 823 HG13 ILE 102 HG13 ILE 102 2.781 16.978 16.975 824 HG21 ILE 102 HG21 ILE 102 -0.627 15.746 18.163 825 HG22 ILE 102 HG22 ILE 102 0.412 16.804 19.118 826 HG23 ILE 102 HG23 ILE 102 1.094 15.393 18.310 827 HD11 ILE 102 HD11 ILE 102 2.214 18.415 15.116 828 HD12 ILE 102 HD12 ILE 102 3.173 19.298 16.304 829 HD13 ILE 102 HD13 ILE 102 1.430 19.555 16.209 830 H GLY 103 H GLY 103 -1.472 17.591 15.276 831 HA2 GLY 103 HA2 GLY 103 -0.776 19.595 13.632 832 HA3 GLY 103 HA3 GLY 103 -0.754 18.221 12.536 Start of MODEL 11 1 H GLY 1 H GLY 1 10.337 3.128 -20.626 2 HA2 GLY 1 HA2 GLY 1 7.404 3.580 -20.724 3 HA3 GLY 1 HA3 GLY 1 8.205 2.028 -20.920 4 H SER 2 H SER 2 7.648 4.678 -18.649 5 HA SER 2 HA SER 2 8.337 2.892 -16.429 6 HB2 SER 2 HB2 SER 2 9.423 5.087 -16.424 7 HB3 SER 2 HB3 SER 2 7.849 5.881 -16.460 8 HG SER 2 HG SER 2 8.953 4.300 -14.385 9 H TYR 3 H TYR 3 6.920 2.463 -14.745 10 HA TYR 3 HA TYR 3 4.091 2.819 -15.417 11 HB2 TYR 3 HB2 TYR 3 4.897 0.522 -15.003 12 HB3 TYR 3 HB3 TYR 3 5.390 0.994 -13.381 13 HD1 TYR 3 HD1 TYR 3 2.460 0.525 -15.594 14 HD2 TYR 3 HD2 TYR 3 3.830 1.045 -11.599 15 HE1 TYR 3 HE1 TYR 3 0.220 -0.050 -14.757 16 HE2 TYR 3 HE2 TYR 3 1.595 0.470 -10.752 17 HH TYR 3 HH TYR 3 -0.734 0.474 -11.546 18 H TRP 4 H TRP 4 2.923 4.308 -14.394 19 HA TRP 4 HA TRP 4 3.478 4.958 -11.627 20 HB2 TRP 4 HB2 TRP 4 4.931 6.532 -12.811 21 HB3 TRP 4 HB3 TRP 4 3.565 7.088 -13.773 22 HD1 TRP 4 HD1 TRP 4 1.918 8.830 -12.670 23 HE1 TRP 4 HE1 TRP 4 2.015 10.211 -10.501 24 HE3 TRP 4 HE3 TRP 4 5.766 6.407 -10.332 25 HZ2 TRP 4 HZ2 TRP 4 3.522 10.269 -8.115 26 HZ3 TRP 4 HZ3 TRP 4 6.473 7.189 -8.110 27 HH2 TRP 4 HH2 TRP 4 5.375 9.080 -7.026 28 HA PRO 5 HA PRO 5 -1.036 4.768 -12.318 29 HB2 PRO 5 HB2 PRO 5 -1.000 4.677 -9.363 30 HB3 PRO 5 HB3 PRO 5 -1.765 3.575 -10.510 31 HG2 PRO 5 HG2 PRO 5 0.418 2.856 -9.145 32 HG3 PRO 5 HG3 PRO 5 0.169 2.346 -10.824 33 HD2 PRO 5 HD2 PRO 5 1.920 4.521 -9.743 34 HD3 PRO 5 HD3 PRO 5 2.246 3.353 -11.040 35 H ALA 6 H ALA 6 -2.851 6.001 -11.097 36 HA ALA 6 HA ALA 6 -2.095 8.798 -11.129 37 HB1 ALA 6 HB1 ALA 6 -4.505 9.225 -10.905 38 HB2 ALA 6 HB2 ALA 6 -4.786 7.493 -10.733 39 HB3 ALA 6 HB3 ALA 6 -4.147 8.136 -12.244 40 H ARG 7 H ARG 7 -3.727 9.978 -9.308 41 HA ARG 7 HA ARG 7 -2.400 9.246 -6.808 42 HB2 ARG 7 HB2 ARG 7 -2.337 11.602 -7.635 43 HB3 ARG 7 HB3 ARG 7 -4.080 11.683 -7.417 44 HG2 ARG 7 HG2 ARG 7 -3.771 11.230 -5.015 45 HG3 ARG 7 HG3 ARG 7 -2.025 11.246 -5.261 46 HD2 ARG 7 HD2 ARG 7 -2.154 13.556 -6.049 47 HD3 ARG 7 HD3 ARG 7 -3.902 13.541 -5.819 48 HE ARG 7 HE ARG 7 -2.650 12.856 -3.399 49 HH11 ARG 7 HH11 ARG 7 -3.096 15.590 -5.512 50 HH12 ARG 7 HH12 ARG 7 -2.971 16.758 -4.240 51 HH21 ARG 7 HH21 ARG 7 -2.485 14.386 -1.717 52 HH22 ARG 7 HH22 ARG 7 -2.623 16.074 -2.082 53 H HIS 8 H HIS 8 -3.492 8.825 -4.899 54 HA HIS 8 HA HIS 8 -5.108 7.939 -3.572 55 HB2 HIS 8 HB2 HIS 8 -6.885 9.649 -5.322 56 HB3 HIS 8 HB3 HIS 8 -7.431 8.827 -3.864 57 HD1 HIS 8 HD1 HIS 8 -5.893 9.547 -1.646 58 HD2 HIS 8 HD2 HIS 8 -6.101 12.186 -4.849 59 HE1 HIS 8 HE1 HIS 8 -5.220 11.785 -0.718 60 HE2 HIS 8 HE2 HIS 8 -5.445 13.383 -2.653 61 H SER 9 H SER 9 -4.529 6.849 -6.457 62 HA SER 9 HA SER 9 -6.938 5.429 -7.147 63 HB2 SER 9 HB2 SER 9 -4.086 5.085 -8.102 64 HB3 SER 9 HB3 SER 9 -5.485 4.255 -8.783 65 HG SER 9 HG SER 9 -6.189 6.102 -9.645 66 H GLY 10 H GLY 10 -6.901 3.000 -7.310 67 HA2 GLY 10 HA2 GLY 10 -6.577 1.828 -4.832 68 HA3 GLY 10 HA3 GLY 10 -6.719 0.930 -6.335 69 H ALA 11 H ALA 11 -4.559 1.004 -7.657 70 HA ALA 11 HA ALA 11 -2.624 -0.354 -6.330 71 HB1 ALA 11 HB1 ALA 11 -2.203 1.376 -8.760 72 HB2 ALA 11 HB2 ALA 11 -2.811 -0.281 -8.759 73 HB3 ALA 11 HB3 ALA 11 -1.159 0.055 -8.236 74 H ARG 12 H ARG 12 -3.031 3.084 -6.378 75 HA ARG 12 HA ARG 12 -0.318 3.786 -5.701 76 HB2 ARG 12 HB2 ARG 12 -2.274 5.193 -6.815 77 HB3 ARG 12 HB3 ARG 12 -2.650 5.560 -5.144 78 HG2 ARG 12 HG2 ARG 12 0.122 5.918 -6.168 79 HG3 ARG 12 HG3 ARG 12 -1.109 7.140 -6.482 80 HD2 ARG 12 HD2 ARG 12 -1.525 7.313 -4.064 81 HD3 ARG 12 HD3 ARG 12 -0.254 6.126 -3.772 82 HE ARG 12 HE ARG 12 1.145 7.919 -5.071 83 HH11 ARG 12 HH11 ARG 12 -1.334 8.467 -2.686 84 HH12 ARG 12 HH12 ARG 12 -0.637 9.946 -2.115 85 HH21 ARG 12 HH21 ARG 12 2.068 9.863 -4.326 86 HH22 ARG 12 HH22 ARG 12 1.296 10.740 -3.047 87 H VAL 13 H VAL 13 -3.442 3.700 -4.052 88 HA VAL 13 HA VAL 13 -2.482 4.531 -1.533 89 HB VAL 13 HB VAL 13 -4.990 3.024 -2.265 90 HG11 VAL 13 HG11 VAL 13 -5.844 3.793 -0.082 91 HG12 VAL 13 HG12 VAL 13 -4.233 4.394 0.310 92 HG13 VAL 13 HG13 VAL 13 -4.495 2.668 0.070 93 HG21 VAL 13 HG21 VAL 13 -6.085 5.180 -2.125 94 HG22 VAL 13 HG22 VAL 13 -4.763 5.253 -3.290 95 HG23 VAL 13 HG23 VAL 13 -4.563 5.952 -1.685 96 H ILE 14 H ILE 14 -3.033 1.301 -2.941 97 HA ILE 14 HA ILE 14 -2.446 -0.064 -0.621 98 HB ILE 14 HB ILE 14 -2.149 -2.058 -1.995 99 HG12 ILE 14 HG12 ILE 14 -2.315 -0.162 -4.344 100 HG13 ILE 14 HG13 ILE 14 -0.896 -1.085 -3.865 101 HG21 ILE 14 HG21 ILE 14 -4.356 -2.017 -3.092 102 HG22 ILE 14 HG22 ILE 14 -4.420 -0.274 -2.821 103 HG23 ILE 14 HG23 ILE 14 -4.378 -1.379 -1.449 104 HD11 ILE 14 HD11 ILE 14 -2.120 -2.042 -5.785 105 HD12 ILE 14 HD12 ILE 14 -3.499 -2.320 -4.721 106 HD13 ILE 14 HD13 ILE 14 -1.969 -3.144 -4.418 107 H LEU 15 H LEU 15 -0.147 0.050 -3.403 108 HA LEU 15 HA LEU 15 1.955 -0.859 -2.118 109 HB2 LEU 15 HB2 LEU 15 2.201 1.456 -4.032 110 HB3 LEU 15 HB3 LEU 15 3.425 0.262 -3.672 111 HG LEU 15 HG LEU 15 0.798 -0.620 -4.798 112 HD11 LEU 15 HD11 LEU 15 1.732 -0.403 -7.053 113 HD12 LEU 15 HD12 LEU 15 3.120 0.458 -6.387 114 HD13 LEU 15 HD13 LEU 15 1.507 1.164 -6.274 115 HD21 LEU 15 HD21 LEU 15 2.358 -2.298 -3.968 116 HD22 LEU 15 HD22 LEU 15 3.622 -1.656 -5.017 117 HD23 LEU 15 HD23 LEU 15 2.189 -2.407 -5.720 118 H LEU 16 H LEU 16 0.684 2.330 -1.536 119 HA LEU 16 HA LEU 16 3.117 3.398 -0.385 120 HB2 LEU 16 HB2 LEU 16 1.580 4.891 -1.519 121 HB3 LEU 16 HB3 LEU 16 0.266 4.368 -0.487 122 HG LEU 16 HG LEU 16 1.504 5.294 1.454 123 HD11 LEU 16 HD11 LEU 16 3.741 5.257 0.472 124 HD12 LEU 16 HD12 LEU 16 3.315 6.873 1.035 125 HD13 LEU 16 HD13 LEU 16 3.254 6.493 -0.687 126 HD21 LEU 16 HD21 LEU 16 -0.313 6.510 0.421 127 HD22 LEU 16 HD22 LEU 16 0.791 7.193 -0.772 128 HD23 LEU 16 HD23 LEU 16 0.949 7.632 0.930 129 H VAL 17 H VAL 17 -0.015 2.133 0.596 130 HA VAL 17 HA VAL 17 0.327 2.641 3.384 131 HB VAL 17 HB VAL 17 -1.836 2.322 2.025 132 HG11 VAL 17 HG11 VAL 17 -2.780 0.052 2.161 133 HG12 VAL 17 HG12 VAL 17 -1.191 -0.541 2.643 134 HG13 VAL 17 HG13 VAL 17 -1.416 0.191 1.053 135 HG21 VAL 17 HG21 VAL 17 -1.444 1.088 4.738 136 HG22 VAL 17 HG22 VAL 17 -3.017 1.465 4.037 137 HG23 VAL 17 HG23 VAL 17 -1.868 2.762 4.378 138 H LEU 18 H LEU 18 0.506 -0.359 1.396 139 HA LEU 18 HA LEU 18 1.474 -2.010 3.296 140 HB2 LEU 18 HB2 LEU 18 1.905 -1.857 0.342 141 HB3 LEU 18 HB3 LEU 18 2.837 -3.024 1.258 142 HG LEU 18 HG LEU 18 0.769 -3.896 0.186 143 HD11 LEU 18 HD11 LEU 18 0.931 -4.113 3.187 144 HD12 LEU 18 HD12 LEU 18 1.867 -5.057 2.028 145 HD13 LEU 18 HD13 LEU 18 0.116 -5.250 2.112 146 HD21 LEU 18 HD21 LEU 18 -0.737 -2.060 0.537 147 HD22 LEU 18 HD22 LEU 18 -0.574 -2.216 2.286 148 HD23 LEU 18 HD23 LEU 18 -1.363 -3.490 1.357 149 H TYR 19 H TYR 19 3.086 0.587 1.754 150 HA TYR 19 HA TYR 19 5.786 -0.225 1.956 151 HB2 TYR 19 HB2 TYR 19 5.129 1.696 0.609 152 HB3 TYR 19 HB3 TYR 19 4.582 2.541 2.050 153 HD1 TYR 19 HD1 TYR 19 7.584 1.266 0.304 154 HD2 TYR 19 HD2 TYR 19 6.087 3.739 3.425 155 HE1 TYR 19 HE1 TYR 19 9.821 2.246 0.595 156 HE2 TYR 19 HE2 TYR 19 8.318 4.725 3.725 157 HH TYR 19 HH TYR 19 10.830 4.306 1.489 158 H ARG 20 H ARG 20 4.132 2.155 4.088 159 HA ARG 20 HA ARG 20 5.945 2.182 6.047 160 HB2 ARG 20 HB2 ARG 20 4.024 3.626 6.089 161 HB3 ARG 20 HB3 ARG 20 2.943 2.264 6.353 162 HG2 ARG 20 HG2 ARG 20 4.039 1.885 8.544 163 HG3 ARG 20 HG3 ARG 20 4.985 3.352 8.275 164 HD2 ARG 20 HD2 ARG 20 2.918 4.643 8.103 165 HD3 ARG 20 HD3 ARG 20 1.981 3.178 8.387 166 HE ARG 20 HE ARG 20 3.874 3.699 10.469 167 HH11 ARG 20 HH11 ARG 20 0.701 4.493 9.270 168 HH12 ARG 20 HH12 ARG 20 0.090 4.957 10.823 169 HH21 ARG 20 HH21 ARG 20 3.078 4.308 12.516 170 HH22 ARG 20 HH22 ARG 20 1.441 4.852 12.667 171 H GLU 21 H GLU 21 3.081 0.075 6.499 172 HA GLU 21 HA GLU 21 3.984 -1.377 8.464 173 HB2 GLU 21 HB2 GLU 21 1.839 -1.684 6.903 174 HB3 GLU 21 HB3 GLU 21 2.753 -3.095 6.385 175 HG2 GLU 21 HG2 GLU 21 1.900 -2.431 9.191 176 HG3 GLU 21 HG3 GLU 21 1.255 -3.706 8.164 177 H HIS 22 H HIS 22 5.395 -1.545 5.340 178 HA HIS 22 HA HIS 22 6.536 -4.197 5.685 179 HB2 HIS 22 HB2 HIS 22 6.064 -3.525 3.431 180 HB3 HIS 22 HB3 HIS 22 6.981 -2.037 3.619 181 HD1 HIS 22 HD1 HIS 22 7.304 -5.526 2.585 182 HD2 HIS 22 HD2 HIS 22 9.847 -2.493 3.847 183 HE1 HIS 22 HE1 HIS 22 9.612 -6.252 1.898 184 HE2 HIS 22 HE2 HIS 22 11.121 -4.359 2.591 185 H LEU 23 H LEU 23 7.485 -0.790 5.867 186 HA LEU 23 HA LEU 23 10.098 -1.413 6.790 187 HB2 LEU 23 HB2 LEU 23 8.530 1.163 6.767 188 HB3 LEU 23 HB3 LEU 23 10.194 1.054 7.308 189 HG LEU 23 HG LEU 23 10.613 0.031 4.953 190 HD11 LEU 23 HD11 LEU 23 9.118 1.069 3.254 191 HD12 LEU 23 HD12 LEU 23 8.005 1.466 4.566 192 HD13 LEU 23 HD13 LEU 23 8.380 -0.221 4.202 193 HD21 LEU 23 HD21 LEU 23 11.054 2.250 4.066 194 HD22 LEU 23 HD22 LEU 23 11.526 2.150 5.762 195 HD23 LEU 23 HD23 LEU 23 10.027 2.960 5.309 196 H ASN 24 H ASN 24 7.195 -1.674 8.335 197 HA ASN 24 HA ASN 24 7.543 -0.385 10.805 198 HB2 ASN 24 HB2 ASN 24 5.793 -2.465 9.716 199 HB3 ASN 24 HB3 ASN 24 6.122 -2.638 11.439 200 HD21 ASN 24 HD21 ASN 24 5.447 -1.065 12.864 201 HD22 ASN 24 HD22 ASN 24 4.302 0.147 12.418 202 HA PRO 25 HA PRO 25 11.012 -2.965 12.166 203 HB2 PRO 25 HB2 PRO 25 11.026 -1.088 14.422 204 HB3 PRO 25 HB3 PRO 25 12.301 -1.439 13.255 205 HG2 PRO 25 HG2 PRO 25 10.960 0.902 13.270 206 HG3 PRO 25 HG3 PRO 25 11.576 0.167 11.779 207 HD2 PRO 25 HD2 PRO 25 8.786 0.202 12.860 208 HD3 PRO 25 HD3 PRO 25 9.352 0.359 11.188 209 H ASN 26 H ASN 26 8.585 -1.537 14.313 210 HA ASN 26 HA ASN 26 8.766 -3.801 16.141 211 HB2 ASN 26 HB2 ASN 26 7.246 -1.191 16.270 212 HB3 ASN 26 HB3 ASN 26 7.103 -2.457 17.483 213 HD21 ASN 26 HD21 ASN 26 8.845 -2.884 18.845 214 HD22 ASN 26 HD22 ASN 26 10.148 -1.767 19.042 215 H GLY 27 H GLY 27 7.733 -4.191 13.459 216 HA2 GLY 27 HA2 GLY 27 5.158 -5.245 14.102 217 HA3 GLY 27 HA3 GLY 27 5.068 -3.980 12.884 218 H HIS 28 H HIS 28 4.196 -5.819 11.606 219 HA HIS 28 HA HIS 28 6.089 -7.879 10.803 220 HB2 HIS 28 HB2 HIS 28 3.268 -7.297 9.871 221 HB3 HIS 28 HB3 HIS 28 4.236 -8.678 9.366 222 HD1 HIS 28 HD1 HIS 28 4.223 -10.698 10.863 223 HD2 HIS 28 HD2 HIS 28 2.494 -7.368 12.649 224 HE1 HIS 28 HE1 HIS 28 3.176 -11.542 12.989 225 HE2 HIS 28 HE2 HIS 28 2.066 -9.525 14.010 226 H HIS 29 H HIS 29 5.473 -8.143 8.127 227 HA HIS 29 HA HIS 29 6.343 -5.596 6.927 228 HB2 HIS 29 HB2 HIS 29 7.341 -8.356 6.172 229 HB3 HIS 29 HB3 HIS 29 7.843 -6.834 5.444 230 HD1 HIS 29 HD1 HIS 29 8.165 -8.812 8.633 231 HD2 HIS 29 HD2 HIS 29 9.833 -5.481 6.796 232 HE1 HIS 29 HE1 HIS 29 10.163 -8.203 10.032 233 HE2 HIS 29 HE2 HIS 29 11.210 -6.241 8.849 234 H PHE 30 H PHE 30 3.703 -6.607 7.129 235 HA PHE 30 HA PHE 30 2.873 -6.557 4.431 236 HB2 PHE 30 HB2 PHE 30 1.793 -8.775 4.308 237 HB3 PHE 30 HB3 PHE 30 3.541 -8.907 4.416 238 HD1 PHE 30 HD1 PHE 30 0.375 -9.367 6.211 239 HD2 PHE 30 HD2 PHE 30 4.594 -9.914 6.318 240 HE1 PHE 30 HE1 PHE 30 0.126 -10.865 8.145 241 HE2 PHE 30 HE2 PHE 30 4.353 -11.414 8.255 242 HZ PHE 30 HZ PHE 30 2.115 -11.890 9.170 243 H LEU 31 H LEU 31 0.430 -7.157 4.306 244 HA LEU 31 HA LEU 31 -1.067 -6.887 6.767 245 HB2 LEU 31 HB2 LEU 31 -0.865 -4.750 4.676 246 HB3 LEU 31 HB3 LEU 31 -2.323 -4.934 5.621 247 HG LEU 31 HG LEU 31 0.422 -4.351 6.719 248 HD11 LEU 31 HD11 LEU 31 -0.543 -2.456 5.537 249 HD12 LEU 31 HD12 LEU 31 -0.516 -2.166 7.277 250 HD13 LEU 31 HD13 LEU 31 -2.025 -2.610 6.481 251 HD21 LEU 31 HD21 LEU 31 -0.892 -5.694 8.270 252 HD22 LEU 31 HD22 LEU 31 -2.239 -4.566 8.121 253 HD23 LEU 31 HD23 LEU 31 -0.727 -4.040 8.859 254 H THR 32 H THR 32 -3.417 -7.067 6.371 255 HA THR 32 HA THR 32 -3.889 -8.829 4.061 256 HB THR 32 HB THR 32 -5.815 -9.722 5.273 257 HG1 THR 32 HG1 THR 32 -5.890 -9.045 7.602 258 HG21 THR 32 HG21 THR 32 -3.647 -10.800 5.610 259 HG22 THR 32 HG22 THR 32 -4.616 -10.872 7.082 260 HG23 THR 32 HG23 THR 32 -3.300 -9.706 6.949 261 H LYS 33 H LYS 33 -5.692 -8.428 2.715 262 HA LYS 33 HA LYS 33 -6.524 -6.049 2.113 263 HB2 LYS 33 HB2 LYS 33 -7.727 -8.679 1.787 264 HB3 LYS 33 HB3 LYS 33 -8.928 -7.398 1.764 265 HG2 LYS 33 HG2 LYS 33 -6.464 -7.373 0.042 266 HG3 LYS 33 HG3 LYS 33 -8.002 -8.069 -0.468 267 HD2 LYS 33 HD2 LYS 33 -9.065 -5.852 -0.005 268 HD3 LYS 33 HD3 LYS 33 -7.450 -5.200 0.277 269 HE2 LYS 33 HE2 LYS 33 -8.212 -4.734 -1.999 270 HE3 LYS 33 HE3 LYS 33 -6.801 -5.792 -1.997 271 HZ1 LYS 33 HZ1 LYS 33 -9.617 -6.672 -2.334 272 HZ2 LYS 33 HZ2 LYS 33 -8.265 -7.686 -2.333 273 HZ3 LYS 33 HZ3 LYS 33 -8.467 -6.548 -3.569 274 H GLU 34 H GLU 34 -7.647 -7.691 4.950 275 HA GLU 34 HA GLU 34 -9.871 -5.925 5.418 276 HB2 GLU 34 HB2 GLU 34 -8.502 -7.916 7.235 277 HB3 GLU 34 HB3 GLU 34 -9.996 -7.070 7.608 278 HG2 GLU 34 HG2 GLU 34 -9.586 -8.994 5.331 279 HG3 GLU 34 HG3 GLU 34 -10.411 -9.346 6.850 280 H GLU 35 H GLU 35 -6.510 -6.122 6.391 281 HA GLU 35 HA GLU 35 -6.740 -4.182 8.513 282 HB2 GLU 35 HB2 GLU 35 -4.331 -5.346 7.110 283 HB3 GLU 35 HB3 GLU 35 -4.244 -4.244 8.477 284 HG2 GLU 35 HG2 GLU 35 -5.418 -5.861 9.868 285 HG3 GLU 35 HG3 GLU 35 -5.537 -6.963 8.498 286 H LEU 36 H LEU 36 -5.362 -4.159 5.224 287 HA LEU 36 HA LEU 36 -4.649 -1.648 4.982 288 HB2 LEU 36 HB2 LEU 36 -6.304 -2.922 2.817 289 HB3 LEU 36 HB3 LEU 36 -5.016 -1.750 2.630 290 HG LEU 36 HG LEU 36 -4.711 -4.612 3.501 291 HD11 LEU 36 HD11 LEU 36 -5.147 -4.373 1.124 292 HD12 LEU 36 HD12 LEU 36 -3.479 -4.870 1.410 293 HD13 LEU 36 HD13 LEU 36 -3.842 -3.194 0.992 294 HD21 LEU 36 HD21 LEU 36 -2.650 -2.440 3.163 295 HD22 LEU 36 HD22 LEU 36 -2.288 -4.149 3.400 296 HD23 LEU 36 HD23 LEU 36 -3.105 -3.238 4.669 297 H LEU 37 H LEU 37 -7.996 -2.669 5.084 298 HA LEU 37 HA LEU 37 -9.266 -0.417 4.098 299 HB2 LEU 37 HB2 LEU 37 -10.114 -2.151 6.424 300 HB3 LEU 37 HB3 LEU 37 -11.160 -1.041 5.561 301 HG LEU 37 HG LEU 37 -9.842 -3.484 4.375 302 HD11 LEU 37 HD11 LEU 37 -12.112 -4.384 4.281 303 HD12 LEU 37 HD12 LEU 37 -12.715 -2.951 5.115 304 HD13 LEU 37 HD13 LEU 37 -11.614 -4.054 5.941 305 HD21 LEU 37 HD21 LEU 37 -11.805 -1.528 3.183 306 HD22 LEU 37 HD22 LEU 37 -11.253 -3.022 2.424 307 HD23 LEU 37 HD23 LEU 37 -10.111 -1.713 2.727 308 H GLN 38 H GLN 38 -8.187 -1.026 7.445 309 HA GLN 38 HA GLN 38 -9.005 1.594 8.336 310 HB2 GLN 38 HB2 GLN 38 -7.386 -0.600 9.633 311 HB3 GLN 38 HB3 GLN 38 -7.709 0.942 10.414 312 HG2 GLN 38 HG2 GLN 38 -9.253 -0.729 11.202 313 HG3 GLN 38 HG3 GLN 38 -10.114 0.499 10.275 314 HE21 GLN 38 HE21 GLN 38 -9.003 -2.796 10.341 315 HE22 GLN 38 HE22 GLN 38 -9.982 -3.365 9.035 316 H ARG 39 H ARG 39 -5.948 -0.031 7.597 317 HA ARG 39 HA ARG 39 -4.169 1.948 8.154 318 HB2 ARG 39 HB2 ARG 39 -3.966 -0.501 7.147 319 HB3 ARG 39 HB3 ARG 39 -3.755 0.399 5.651 320 HG2 ARG 39 HG2 ARG 39 -1.600 0.047 6.432 321 HG3 ARG 39 HG3 ARG 39 -1.970 1.709 6.890 322 HD2 ARG 39 HD2 ARG 39 -2.305 -0.651 8.729 323 HD3 ARG 39 HD3 ARG 39 -0.851 0.338 8.667 324 HE ARG 39 HE ARG 39 -2.897 2.113 9.065 325 HH11 ARG 39 HH11 ARG 39 -1.682 -0.702 10.722 326 HH12 ARG 39 HH12 ARG 39 -2.172 -0.150 12.289 327 HH21 ARG 39 HH21 ARG 39 -3.544 2.847 11.124 328 HH22 ARG 39 HH22 ARG 39 -3.230 1.868 12.517 329 H CYS 40 H CYS 40 -5.760 1.432 5.052 330 HA CYS 40 HA CYS 40 -4.592 3.564 3.627 331 HB2 CYS 40 HB2 CYS 40 -6.344 3.240 2.006 332 HB3 CYS 40 HB3 CYS 40 -5.852 1.659 2.597 333 HG CYS 40 HG CYS 40 -8.256 0.914 3.040 334 H ALA 41 H ALA 41 -7.370 3.367 5.768 335 HA ALA 41 HA ALA 41 -8.508 5.834 5.268 336 HB1 ALA 41 HB1 ALA 41 -8.370 4.440 7.937 337 HB2 ALA 41 HB2 ALA 41 -9.536 4.092 6.661 338 HB3 ALA 41 HB3 ALA 41 -9.539 5.668 7.454 339 H GLN 42 H GLN 42 -5.396 5.718 5.842 340 HA GLN 42 HA GLN 42 -5.331 7.820 7.870 341 HB2 GLN 42 HB2 GLN 42 -4.054 5.865 8.669 342 HB3 GLN 42 HB3 GLN 42 -3.110 5.876 7.187 343 HG2 GLN 42 HG2 GLN 42 -2.232 8.083 7.768 344 HG3 GLN 42 HG3 GLN 42 -3.168 8.057 9.261 345 HE21 GLN 42 HE21 GLN 42 -2.550 6.682 10.929 346 HE22 GLN 42 HE22 GLN 42 -0.983 5.958 10.989 347 H LYS 43 H LYS 43 -4.621 6.603 4.747 348 HA LYS 43 HA LYS 43 -2.760 8.263 3.659 349 HB2 LYS 43 HB2 LYS 43 -4.003 6.394 2.535 350 HB3 LYS 43 HB3 LYS 43 -5.339 7.510 2.289 351 HG2 LYS 43 HG2 LYS 43 -4.363 8.444 0.528 352 HG3 LYS 43 HG3 LYS 43 -2.812 8.587 1.361 353 HD2 LYS 43 HD2 LYS 43 -2.375 6.220 0.918 354 HD3 LYS 43 HD3 LYS 43 -3.905 6.109 0.044 355 HE2 LYS 43 HE2 LYS 43 -1.546 7.836 -0.690 356 HE3 LYS 43 HE3 LYS 43 -2.052 6.357 -1.505 357 HZ1 LYS 43 HZ1 LYS 43 -4.130 7.446 -2.102 358 HZ2 LYS 43 HZ2 LYS 43 -2.805 8.315 -2.695 359 HZ3 LYS 43 HZ3 LYS 43 -3.634 8.866 -1.328 360 H SER 44 H SER 44 -6.265 8.900 3.617 361 HA SER 44 HA SER 44 -5.674 11.780 3.625 362 HB2 SER 44 HB2 SER 44 -6.358 11.128 1.367 363 HB3 SER 44 HB3 SER 44 -7.815 10.372 2.012 364 HG SER 44 HG SER 44 -8.645 12.277 1.674 365 HA PRO 45 HA PRO 45 -8.352 11.536 7.206 366 HB2 PRO 45 HB2 PRO 45 -8.317 14.466 7.166 367 HB3 PRO 45 HB3 PRO 45 -7.682 13.357 8.384 368 HG2 PRO 45 HG2 PRO 45 -6.068 14.820 6.795 369 HG3 PRO 45 HG3 PRO 45 -5.626 13.199 7.361 370 HD2 PRO 45 HD2 PRO 45 -6.703 14.048 4.697 371 HD3 PRO 45 HD3 PRO 45 -5.414 12.884 5.072 372 H ARG 46 H ARG 46 -9.254 12.234 4.204 373 HA ARG 46 HA ARG 46 -11.800 13.522 4.928 374 HB2 ARG 46 HB2 ARG 46 -10.492 14.673 3.167 375 HB3 ARG 46 HB3 ARG 46 -10.555 13.214 2.188 376 HG2 ARG 46 HG2 ARG 46 -12.984 13.392 2.065 377 HG3 ARG 46 HG3 ARG 46 -12.931 14.846 3.063 378 HD2 ARG 46 HD2 ARG 46 -13.140 15.418 0.705 379 HD3 ARG 46 HD3 ARG 46 -11.598 15.974 1.355 380 HE ARG 46 HE ARG 46 -11.193 13.451 0.242 381 HH11 ARG 46 HH11 ARG 46 -12.052 16.666 -0.789 382 HH12 ARG 46 HH12 ARG 46 -11.355 16.486 -2.365 383 HH21 ARG 46 HH21 ARG 46 -10.272 13.204 -1.830 384 HH22 ARG 46 HH22 ARG 46 -10.344 14.518 -2.956 385 H VAL 47 H VAL 47 -10.348 10.582 4.129 386 HA VAL 47 HA VAL 47 -12.237 9.255 2.595 387 HB VAL 47 HB VAL 47 -11.409 7.171 3.570 388 HG11 VAL 47 HG11 VAL 47 -10.064 8.213 1.855 389 HG12 VAL 47 HG12 VAL 47 -9.012 7.467 3.058 390 HG13 VAL 47 HG13 VAL 47 -9.252 9.214 3.057 391 HG21 VAL 47 HG21 VAL 47 -9.991 8.957 5.546 392 HG22 VAL 47 HG22 VAL 47 -9.731 7.222 5.371 393 HG23 VAL 47 HG23 VAL 47 -11.298 7.828 5.903 394 H ALA 48 H ALA 48 -14.033 7.978 3.067 395 HA ALA 48 HA ALA 48 -15.512 8.802 5.418 396 HB1 ALA 48 HB1 ALA 48 -16.611 8.763 3.231 397 HB2 ALA 48 HB2 ALA 48 -17.407 7.680 4.373 398 HB3 ALA 48 HB3 ALA 48 -16.345 7.023 3.129 399 HA PRO 49 HA PRO 49 -14.862 5.335 8.061 400 HB2 PRO 49 HB2 PRO 49 -17.824 5.120 8.264 401 HB3 PRO 49 HB3 PRO 49 -16.616 5.260 9.544 402 HG2 PRO 49 HG2 PRO 49 -18.136 7.342 8.881 403 HG3 PRO 49 HG3 PRO 49 -16.424 7.558 9.294 404 HD2 PRO 49 HD2 PRO 49 -17.749 7.584 6.618 405 HD3 PRO 49 HD3 PRO 49 -16.395 8.564 7.217 406 H GLY 50 H GLY 50 -17.794 4.809 6.084 407 HA2 GLY 50 HA2 GLY 50 -16.852 2.069 5.580 408 HA3 GLY 50 HA3 GLY 50 -18.517 2.614 5.460 409 H SER 51 H SER 51 -15.363 2.672 3.911 410 HA SER 51 HA SER 51 -16.708 3.089 1.340 411 HB2 SER 51 HB2 SER 51 -15.776 5.267 1.989 412 HB3 SER 51 HB3 SER 51 -14.190 4.530 2.208 413 HG SER 51 HG SER 51 -15.652 4.813 -0.203 414 H ALA 52 H ALA 52 -15.982 1.808 -0.271 415 HA ALA 52 HA ALA 52 -13.412 0.432 0.066 416 HB1 ALA 52 HB1 ALA 52 -15.994 -0.968 -0.614 417 HB2 ALA 52 HB2 ALA 52 -15.146 -1.063 0.930 418 HB3 ALA 52 HB3 ALA 52 -14.397 -1.709 -0.529 419 HA PRO 53 HA PRO 53 -13.859 2.157 -4.217 420 HB2 PRO 53 HB2 PRO 53 -10.947 2.483 -3.905 421 HB3 PRO 53 HB3 PRO 53 -12.165 3.673 -4.372 422 HG2 PRO 53 HG2 PRO 53 -10.960 3.759 -1.975 423 HG3 PRO 53 HG3 PRO 53 -12.659 4.224 -2.185 424 HD2 PRO 53 HD2 PRO 53 -11.509 1.673 -1.112 425 HD3 PRO 53 HD3 PRO 53 -12.904 2.612 -0.535 426 HA PRO 54 HA PRO 54 -12.634 -1.366 -6.580 427 HB2 PRO 54 HB2 PRO 54 -10.988 0.471 -8.257 428 HB3 PRO 54 HB3 PRO 54 -12.205 -0.713 -8.747 429 HG2 PRO 54 HG2 PRO 54 -12.769 1.888 -8.742 430 HG3 PRO 54 HG3 PRO 54 -13.975 0.692 -8.233 431 HD2 PRO 54 HD2 PRO 54 -12.339 2.559 -6.583 432 HD3 PRO 54 HD3 PRO 54 -13.992 1.968 -6.321 433 H TRP 55 H TRP 55 -11.311 -2.435 -5.105 434 HA TRP 55 HA TRP 55 -8.455 -1.865 -5.354 435 HB2 TRP 55 HB2 TRP 55 -10.173 -2.625 -3.116 436 HB3 TRP 55 HB3 TRP 55 -8.663 -3.530 -3.191 437 HD1 TRP 55 HD1 TRP 55 -8.892 0.127 -4.291 438 HE1 TRP 55 HE1 TRP 55 -7.428 1.554 -2.731 439 HE3 TRP 55 HE3 TRP 55 -7.666 -3.442 -0.841 440 HZ2 TRP 55 HZ2 TRP 55 -5.942 1.202 -0.355 441 HZ3 TRP 55 HZ3 TRP 55 -6.237 -2.814 1.025 442 HH2 TRP 55 HH2 TRP 55 -5.392 -0.541 1.281 443 HA PRO 56 HA PRO 56 -9.298 -6.677 -6.251 444 HB2 PRO 56 HB2 PRO 56 -10.374 -5.888 -8.915 445 HB3 PRO 56 HB3 PRO 56 -10.794 -7.271 -7.898 446 HG2 PRO 56 HG2 PRO 56 -12.432 -5.183 -8.092 447 HG3 PRO 56 HG3 PRO 56 -12.199 -6.017 -6.545 448 HD2 PRO 56 HD2 PRO 56 -11.104 -3.400 -7.473 449 HD3 PRO 56 HD3 PRO 56 -11.651 -3.887 -5.857 450 H ALA 57 H ALA 57 -8.256 -3.825 -7.838 451 HA ALA 57 HA ALA 57 -6.576 -4.848 -9.823 452 HB1 ALA 57 HB1 ALA 57 -6.216 -2.313 -8.232 453 HB2 ALA 57 HB2 ALA 57 -7.259 -2.488 -9.643 454 HB3 ALA 57 HB3 ALA 57 -5.512 -2.673 -9.808 455 H LEU 58 H LEU 58 -6.121 -4.469 -6.382 456 HA LEU 58 HA LEU 58 -3.446 -4.609 -6.040 457 HB2 LEU 58 HB2 LEU 58 -4.898 -4.466 -4.155 458 HB3 LEU 58 HB3 LEU 58 -5.622 -6.020 -4.512 459 HG LEU 58 HG LEU 58 -3.645 -7.187 -3.815 460 HD11 LEU 58 HD11 LEU 58 -2.365 -4.490 -3.400 461 HD12 LEU 58 HD12 LEU 58 -1.980 -5.614 -4.705 462 HD13 LEU 58 HD13 LEU 58 -1.647 -6.057 -3.031 463 HD21 LEU 58 HD21 LEU 58 -4.450 -4.992 -1.921 464 HD22 LEU 58 HD22 LEU 58 -3.460 -6.374 -1.461 465 HD23 LEU 58 HD23 LEU 58 -5.112 -6.623 -2.024 466 H ARG 59 H ARG 59 -5.502 -7.526 -6.316 467 HA ARG 59 HA ARG 59 -3.574 -9.400 -6.464 468 HB2 ARG 59 HB2 ARG 59 -6.077 -9.339 -8.163 469 HB3 ARG 59 HB3 ARG 59 -5.113 -10.771 -7.829 470 HG2 ARG 59 HG2 ARG 59 -5.632 -10.581 -5.456 471 HG3 ARG 59 HG3 ARG 59 -6.580 -9.128 -5.776 472 HD2 ARG 59 HD2 ARG 59 -8.015 -11.091 -5.554 473 HD3 ARG 59 HD3 ARG 59 -8.100 -10.417 -7.180 474 HE ARG 59 HE ARG 59 -6.148 -12.455 -7.071 475 HH11 ARG 59 HH11 ARG 59 -9.600 -11.981 -7.067 476 HH12 ARG 59 HH12 ARG 59 -9.942 -13.523 -7.775 477 HH21 ARG 59 HH21 ARG 59 -6.589 -14.488 -8.004 478 HH22 ARG 59 HH22 ARG 59 -8.232 -14.948 -8.308 479 H SER 60 H SER 60 -4.868 -7.651 -9.274 480 HA SER 60 HA SER 60 -3.203 -8.574 -11.172 481 HB2 SER 60 HB2 SER 60 -5.052 -7.031 -11.642 482 HB3 SER 60 HB3 SER 60 -4.138 -5.704 -10.930 483 HG SER 60 HG SER 60 -4.006 -5.835 -13.254 484 H LEU 61 H LEU 61 -2.340 -6.351 -8.631 485 HA LEU 61 HA LEU 61 0.024 -5.320 -9.890 486 HB2 LEU 61 HB2 LEU 61 -1.145 -5.191 -7.155 487 HB3 LEU 61 HB3 LEU 61 0.575 -4.892 -7.330 488 HG LEU 61 HG LEU 61 -0.248 -3.232 -9.215 489 HD11 LEU 61 HD11 LEU 61 -2.594 -3.815 -9.063 490 HD12 LEU 61 HD12 LEU 61 -2.343 -2.138 -8.579 491 HD13 LEU 61 HD13 LEU 61 -2.612 -3.378 -7.355 492 HD21 LEU 61 HD21 LEU 61 1.067 -2.588 -7.303 493 HD22 LEU 61 HD22 LEU 61 -0.350 -2.675 -6.257 494 HD23 LEU 61 HD23 LEU 61 -0.258 -1.446 -7.520 495 H LEU 62 H LEU 62 -0.767 -8.054 -7.820 496 HA LEU 62 HA LEU 62 1.775 -8.880 -7.073 497 HB2 LEU 62 HB2 LEU 62 -0.522 -10.641 -7.929 498 HB3 LEU 62 HB3 LEU 62 0.838 -11.135 -6.945 499 HG LEU 62 HG LEU 62 -1.019 -8.967 -6.015 500 HD11 LEU 62 HD11 LEU 62 -1.370 -11.930 -5.585 501 HD12 LEU 62 HD12 LEU 62 -2.395 -10.914 -6.596 502 HD13 LEU 62 HD13 LEU 62 -2.333 -10.648 -4.854 503 HD21 LEU 62 HD21 LEU 62 1.146 -9.329 -4.860 504 HD22 LEU 62 HD22 LEU 62 0.650 -10.984 -4.518 505 HD23 LEU 62 HD23 LEU 62 -0.250 -9.634 -3.828 506 H HIS 63 H HIS 63 -0.055 -9.418 -10.014 507 HA HIS 63 HA HIS 63 1.748 -11.012 -11.373 508 HB2 HIS 63 HB2 HIS 63 -0.576 -10.614 -12.076 509 HB3 HIS 63 HB3 HIS 63 -0.165 -8.957 -12.497 510 HD1 HIS 63 HD1 HIS 63 0.005 -12.440 -13.750 511 HD2 HIS 63 HD2 HIS 63 1.411 -8.688 -14.854 512 HE1 HIS 63 HE1 HIS 63 0.776 -12.684 -16.131 513 HE2 HIS 63 HE2 HIS 63 1.545 -10.382 -16.804 514 H ARG 64 H ARG 64 1.534 -7.480 -11.186 515 HA ARG 64 HA ARG 64 3.658 -6.999 -12.962 516 HB2 ARG 64 HB2 ARG 64 2.568 -5.246 -10.751 517 HB3 ARG 64 HB3 ARG 64 3.602 -4.706 -12.065 518 HG2 ARG 64 HG2 ARG 64 0.865 -5.901 -12.429 519 HG3 ARG 64 HG3 ARG 64 1.215 -4.172 -12.398 520 HD2 ARG 64 HD2 ARG 64 2.695 -4.447 -14.334 521 HD3 ARG 64 HD3 ARG 64 2.328 -6.171 -14.366 522 HE ARG 64 HE ARG 64 -0.093 -4.819 -14.504 523 HH11 ARG 64 HH11 ARG 64 2.807 -5.141 -16.412 524 HH12 ARG 64 HH12 ARG 64 1.998 -4.878 -17.920 525 HH21 ARG 64 HH21 ARG 64 -1.165 -4.473 -16.487 526 HH22 ARG 64 HH22 ARG 64 -0.260 -4.498 -17.963 527 H ASN 65 H ASN 65 3.645 -8.213 -9.826 528 HA ASN 65 HA ASN 65 5.358 -8.958 -8.521 529 HB2 ASN 65 HB2 ASN 65 7.178 -7.729 -10.601 530 HB3 ASN 65 HB3 ASN 65 7.705 -8.727 -9.250 531 HD21 ASN 65 HD21 ASN 65 5.344 -10.461 -9.462 532 HD22 ASN 65 HD22 ASN 65 5.634 -11.476 -10.830 533 H LEU 66 H LEU 66 4.061 -6.297 -8.417 534 HA LEU 66 HA LEU 66 6.154 -4.660 -7.174 535 HB2 LEU 66 HB2 LEU 66 3.264 -3.907 -7.462 536 HB3 LEU 66 HB3 LEU 66 4.627 -2.851 -7.180 537 HG LEU 66 HG LEU 66 3.694 -4.081 -9.735 538 HD11 LEU 66 HD11 LEU 66 4.088 -1.842 -10.569 539 HD12 LEU 66 HD12 LEU 66 4.790 -1.369 -9.021 540 HD13 LEU 66 HD13 LEU 66 3.078 -1.787 -9.124 541 HD21 LEU 66 HD21 LEU 66 5.844 -3.547 -10.793 542 HD22 LEU 66 HD22 LEU 66 6.004 -4.830 -9.594 543 HD23 LEU 66 HD23 LEU 66 6.524 -3.192 -9.207 544 H VAL 67 H VAL 67 3.539 -6.732 -6.461 545 HA VAL 67 HA VAL 67 3.910 -6.228 -3.588 546 HB VAL 67 HB VAL 67 1.488 -6.951 -3.314 547 HG11 VAL 67 HG11 VAL 67 0.614 -4.720 -3.741 548 HG12 VAL 67 HG12 VAL 67 1.993 -4.363 -4.779 549 HG13 VAL 67 HG13 VAL 67 2.234 -4.626 -3.051 550 HG21 VAL 67 HG21 VAL 67 1.324 -7.856 -5.638 551 HG22 VAL 67 HG22 VAL 67 1.277 -6.191 -6.213 552 HG23 VAL 67 HG23 VAL 67 0.002 -6.796 -5.154 553 H LEU 68 H LEU 68 3.154 -8.173 -2.272 554 HA LEU 68 HA LEU 68 3.709 -10.677 -3.731 555 HB2 LEU 68 HB2 LEU 68 5.440 -9.586 -2.065 556 HB3 LEU 68 HB3 LEU 68 4.407 -10.310 -0.853 557 HG LEU 68 HG LEU 68 5.707 -11.879 -3.078 558 HD11 LEU 68 HD11 LEU 68 7.415 -10.891 -1.647 559 HD12 LEU 68 HD12 LEU 68 7.308 -12.634 -1.394 560 HD13 LEU 68 HD13 LEU 68 6.598 -11.527 -0.219 561 HD21 LEU 68 HD21 LEU 68 4.329 -12.711 -0.528 562 HD22 LEU 68 HD22 LEU 68 5.182 -13.799 -1.623 563 HD23 LEU 68 HD23 LEU 68 3.737 -12.950 -2.173 564 H ARG 69 H ARG 69 2.383 -12.407 -3.337 565 HA ARG 69 HA ARG 69 0.165 -11.942 -1.455 566 HB2 ARG 69 HB2 ARG 69 -1.041 -13.703 -2.864 567 HB3 ARG 69 HB3 ARG 69 -0.852 -12.102 -3.564 568 HG2 ARG 69 HG2 ARG 69 0.747 -12.810 -5.075 569 HG3 ARG 69 HG3 ARG 69 1.134 -14.258 -4.142 570 HD2 ARG 69 HD2 ARG 69 -1.051 -15.199 -4.696 571 HD3 ARG 69 HD3 ARG 69 -1.451 -13.746 -5.612 572 HE ARG 69 HE ARG 69 0.937 -14.836 -6.611 573 HH11 ARG 69 HH11 ARG 69 -2.476 -15.523 -6.477 574 HH12 ARG 69 HH12 ARG 69 -2.483 -16.424 -7.958 575 HH21 ARG 69 HH21 ARG 69 0.937 -16.019 -8.560 576 HH22 ARG 69 HH22 ARG 69 -0.543 -16.705 -9.141 577 H THR 70 H THR 70 -0.461 -13.643 -0.100 578 HA THR 70 HA THR 70 1.330 -15.968 -0.080 579 HB THR 70 HB THR 70 1.506 -15.960 2.260 580 HG1 THR 70 HG1 THR 70 -0.381 -15.425 3.132 581 HG21 THR 70 HG21 THR 70 1.689 -13.112 1.295 582 HG22 THR 70 HG22 THR 70 2.955 -14.335 1.205 583 HG23 THR 70 HG23 THR 70 2.419 -13.734 2.773 584 H HIS 71 H HIS 71 0.357 -17.313 1.972 585 HA HIS 71 HA HIS 71 -1.156 -19.278 1.178 586 HB2 HIS 71 HB2 HIS 71 -0.533 -18.035 3.624 587 HB3 HIS 71 HB3 HIS 71 -2.231 -18.459 3.704 588 HD1 HIS 71 HD1 HIS 71 -2.516 -21.175 2.740 589 HD2 HIS 71 HD2 HIS 71 0.991 -19.954 4.607 590 HE1 HIS 71 HE1 HIS 71 -1.408 -23.292 3.530 591 HE2 HIS 71 HE2 HIS 71 0.755 -22.537 4.583 592 H GLN 72 H GLN 72 -2.998 -16.755 2.944 593 HA GLN 72 HA GLN 72 -4.743 -15.504 1.435 594 HB2 GLN 72 HB2 GLN 72 -5.085 -17.432 -0.034 595 HB3 GLN 72 HB3 GLN 72 -5.619 -18.391 1.340 596 HG2 GLN 72 HG2 GLN 72 -7.527 -16.896 1.641 597 HG3 GLN 72 HG3 GLN 72 -6.990 -15.938 0.262 598 HE21 GLN 72 HE21 GLN 72 -7.184 -16.783 -1.815 599 HE22 GLN 72 HE22 GLN 72 -8.204 -18.134 -2.164 600 HA PRO 73 HA PRO 73 -6.485 -13.943 1.993 601 HB2 PRO 73 HB2 PRO 73 -5.546 -12.467 4.409 602 HB3 PRO 73 HB3 PRO 73 -6.893 -12.106 3.323 603 HG2 PRO 73 HG2 PRO 73 -7.344 -13.138 5.730 604 HG3 PRO 73 HG3 PRO 73 -8.291 -13.664 4.326 605 HD2 PRO 73 HD2 PRO 73 -6.063 -15.059 5.743 606 HD3 PRO 73 HD3 PRO 73 -7.530 -15.733 5.005 607 H ALA 74 H ALA 74 -4.901 -13.342 0.595 608 HA ALA 74 HA ALA 74 -2.246 -14.265 0.978 609 HB1 ALA 74 HB1 ALA 74 -3.363 -12.354 -1.065 610 HB2 ALA 74 HB2 ALA 74 -3.287 -14.108 -1.232 611 HB3 ALA 74 HB3 ALA 74 -1.799 -13.166 -1.136 612 H ARG 75 H ARG 75 -1.092 -13.367 2.551 613 HA ARG 75 HA ARG 75 -1.265 -10.711 3.456 614 HB2 ARG 75 HB2 ARG 75 1.184 -12.498 3.477 615 HB3 ARG 75 HB3 ARG 75 0.877 -11.134 4.540 616 HG2 ARG 75 HG2 ARG 75 -0.654 -12.286 5.808 617 HG3 ARG 75 HG3 ARG 75 -1.058 -13.401 4.501 618 HD2 ARG 75 HD2 ARG 75 0.895 -14.671 4.828 619 HD3 ARG 75 HD3 ARG 75 1.653 -13.401 5.797 620 HE ARG 75 HE ARG 75 -0.655 -14.206 7.126 621 HH11 ARG 75 HH11 ARG 75 2.411 -15.559 6.172 622 HH12 ARG 75 HH12 ARG 75 2.478 -16.672 7.497 623 HH21 ARG 75 HH21 ARG 75 -0.575 -15.669 8.873 624 HH22 ARG 75 HH22 ARG 75 0.781 -16.735 9.032 625 H TYR 76 H TYR 76 -0.719 -8.868 2.367 626 HA TYR 76 HA TYR 76 1.010 -9.138 0.099 627 HB2 TYR 76 HB2 TYR 76 -0.701 -6.841 1.025 628 HB3 TYR 76 HB3 TYR 76 0.209 -6.868 -0.483 629 HD1 TYR 76 HD1 TYR 76 -0.267 -8.866 -2.069 630 HD2 TYR 76 HD2 TYR 76 -2.889 -7.656 1.054 631 HE1 TYR 76 HE1 TYR 76 -2.116 -10.043 -3.182 632 HE2 TYR 76 HE2 TYR 76 -4.752 -8.824 -0.051 633 HH TYR 76 HH TYR 76 -5.365 -9.597 -2.308 634 H SER 77 H SER 77 2.801 -8.015 -0.394 635 HA SER 77 HA SER 77 4.025 -6.301 1.587 636 HB2 SER 77 HB2 SER 77 5.405 -8.839 0.680 637 HB3 SER 77 HB3 SER 77 6.117 -7.585 1.695 638 HG SER 77 HG SER 77 4.591 -9.657 2.419 639 H LEU 78 H LEU 78 5.290 -4.772 0.658 640 HA LEU 78 HA LEU 78 5.313 -4.432 -2.097 641 HB2 LEU 78 HB2 LEU 78 6.886 -3.186 0.130 642 HB3 LEU 78 HB3 LEU 78 7.166 -2.725 -1.532 643 HG LEU 78 HG LEU 78 4.660 -2.333 0.085 644 HD11 LEU 78 HD11 LEU 78 6.441 -0.393 -1.375 645 HD12 LEU 78 HD12 LEU 78 6.537 -0.739 0.351 646 HD13 LEU 78 HD13 LEU 78 5.083 -0.004 -0.321 647 HD21 LEU 78 HD21 LEU 78 5.088 -1.889 -2.868 648 HD22 LEU 78 HD22 LEU 78 3.703 -1.317 -1.942 649 HD23 LEU 78 HD23 LEU 78 3.981 -3.047 -2.131 650 H THR 79 H THR 79 6.466 -5.520 -3.611 651 HA THR 79 HA THR 79 8.940 -6.748 -2.981 652 HB THR 79 HB THR 79 8.633 -6.579 -5.799 653 HG1 THR 79 HG1 THR 79 6.387 -7.500 -5.772 654 HG21 THR 79 HG21 THR 79 8.140 -8.966 -5.619 655 HG22 THR 79 HG22 THR 79 7.834 -8.783 -3.893 656 HG23 THR 79 HG23 THR 79 9.456 -8.526 -4.532 657 HA PRO 80 HA PRO 80 12.218 -3.967 -4.191 658 HB2 PRO 80 HB2 PRO 80 12.158 -5.036 -6.992 659 HB3 PRO 80 HB3 PRO 80 13.545 -4.655 -5.970 660 HG2 PRO 80 HG2 PRO 80 12.765 -7.168 -6.248 661 HG3 PRO 80 HG3 PRO 80 13.269 -6.562 -4.659 662 HD2 PRO 80 HD2 PRO 80 10.546 -7.184 -5.671 663 HD3 PRO 80 HD3 PRO 80 11.185 -7.275 -4.018 664 H GLU 81 H GLU 81 9.850 -4.278 -6.840 665 HA GLU 81 HA GLU 81 10.331 -1.604 -7.781 666 HB2 GLU 81 HB2 GLU 81 8.096 -3.528 -8.429 667 HB3 GLU 81 HB3 GLU 81 8.428 -2.026 -9.277 668 HG2 GLU 81 HG2 GLU 81 10.215 -4.439 -9.145 669 HG3 GLU 81 HG3 GLU 81 9.265 -3.908 -10.531 670 H GLY 82 H GLY 82 7.840 -3.182 -5.784 671 HA2 GLY 82 HA2 GLY 82 6.107 -0.869 -5.744 672 HA3 GLY 82 HA3 GLY 82 5.991 -2.274 -4.707 673 H LEU 83 H LEU 83 8.910 -1.981 -4.074 674 HA LEU 83 HA LEU 83 8.570 -0.461 -1.685 675 HB2 LEU 83 HB2 LEU 83 10.287 -2.438 -2.509 676 HB3 LEU 83 HB3 LEU 83 11.319 -1.024 -2.536 677 HG LEU 83 HG LEU 83 11.512 -2.186 -0.408 678 HD11 LEU 83 HD11 LEU 83 11.013 -0.324 1.104 679 HD12 LEU 83 HD12 LEU 83 10.051 0.438 -0.164 680 HD13 LEU 83 HD13 LEU 83 11.788 0.222 -0.384 681 HD21 LEU 83 HD21 LEU 83 9.619 -2.320 1.128 682 HD22 LEU 83 HD22 LEU 83 9.313 -3.227 -0.353 683 HD23 LEU 83 HD23 LEU 83 8.563 -1.648 -0.114 684 H GLU 84 H GLU 84 10.770 -0.051 -4.466 685 HA GLU 84 HA GLU 84 11.520 2.524 -3.866 686 HB2 GLU 84 HB2 GLU 84 12.095 2.721 -6.306 687 HB3 GLU 84 HB3 GLU 84 12.771 1.319 -5.487 688 HG2 GLU 84 HG2 GLU 84 11.096 -0.103 -6.454 689 HG3 GLU 84 HG3 GLU 84 10.283 1.287 -7.160 690 H LEU 85 H LEU 85 8.798 1.438 -5.774 691 HA LEU 85 HA LEU 85 8.114 3.972 -6.901 692 HB2 LEU 85 HB2 LEU 85 7.262 1.347 -7.220 693 HB3 LEU 85 HB3 LEU 85 5.902 2.131 -6.445 694 HG LEU 85 HG LEU 85 7.205 3.047 -9.009 695 HD11 LEU 85 HD11 LEU 85 5.159 2.258 -10.085 696 HD12 LEU 85 HD12 LEU 85 4.583 1.635 -8.539 697 HD13 LEU 85 HD13 LEU 85 6.018 0.938 -9.290 698 HD21 LEU 85 HD21 LEU 85 5.286 4.550 -9.182 699 HD22 LEU 85 HD22 LEU 85 6.238 4.888 -7.738 700 HD23 LEU 85 HD23 LEU 85 4.716 4.008 -7.603 701 H ALA 86 H ALA 86 7.165 2.093 -4.054 702 HA ALA 86 HA ALA 86 5.105 3.806 -3.140 703 HB1 ALA 86 HB1 ALA 86 6.896 1.983 -1.541 704 HB2 ALA 86 HB2 ALA 86 5.367 1.534 -2.297 705 HB3 ALA 86 HB3 ALA 86 5.389 2.705 -0.979 706 H GLN 87 H GLN 87 8.606 3.848 -2.731 707 HA GLN 87 HA GLN 87 8.756 5.713 -0.619 708 HB2 GLN 87 HB2 GLN 87 10.637 5.141 -2.915 709 HB3 GLN 87 HB3 GLN 87 11.017 6.263 -1.619 710 HG2 GLN 87 HG2 GLN 87 10.843 4.458 0.006 711 HG3 GLN 87 HG3 GLN 87 10.445 3.330 -1.286 712 HE21 GLN 87 HE21 GLN 87 12.941 5.235 0.192 713 HE22 GLN 87 HE22 GLN 87 14.275 4.481 -0.607 714 H LYS 88 H LYS 88 8.524 6.056 -4.115 715 HA LYS 88 HA LYS 88 8.565 8.810 -4.209 716 HB2 LYS 88 HB2 LYS 88 6.960 7.088 -6.088 717 HB3 LYS 88 HB3 LYS 88 7.770 8.606 -6.432 718 HG2 LYS 88 HG2 LYS 88 9.946 7.484 -6.058 719 HG3 LYS 88 HG3 LYS 88 9.080 5.964 -5.841 720 HD2 LYS 88 HD2 LYS 88 8.145 6.216 -8.119 721 HD3 LYS 88 HD3 LYS 88 9.129 7.668 -8.329 722 HE2 LYS 88 HE2 LYS 88 11.156 6.333 -7.975 723 HE3 LYS 88 HE3 LYS 88 10.166 4.886 -7.786 724 HZ1 LYS 88 HZ1 LYS 88 11.069 5.047 -10.016 725 HZ2 LYS 88 HZ2 LYS 88 10.337 6.556 -10.236 726 HZ3 LYS 88 HZ3 LYS 88 9.382 5.173 -10.056 727 H LEU 89 H LEU 89 5.781 6.640 -3.892 728 HA LEU 89 HA LEU 89 3.740 8.588 -4.234 729 HB2 LEU 89 HB2 LEU 89 3.886 5.868 -2.962 730 HB3 LEU 89 HB3 LEU 89 2.431 6.839 -2.872 731 HG LEU 89 HG LEU 89 2.248 6.825 -5.305 732 HD11 LEU 89 HD11 LEU 89 3.702 5.506 -6.696 733 HD12 LEU 89 HD12 LEU 89 4.653 5.026 -5.292 734 HD13 LEU 89 HD13 LEU 89 4.648 6.709 -5.819 735 HD21 LEU 89 HD21 LEU 89 1.198 5.033 -3.992 736 HD22 LEU 89 HD22 LEU 89 2.652 4.055 -4.190 737 HD23 LEU 89 HD23 LEU 89 1.680 4.486 -5.597 738 H ALA 90 H ALA 90 5.756 7.496 -1.641 739 HA ALA 90 HA ALA 90 4.378 8.770 0.455 740 HB1 ALA 90 HB1 ALA 90 5.973 6.891 0.711 741 HB2 ALA 90 HB2 ALA 90 6.279 8.234 1.812 742 HB3 ALA 90 HB3 ALA 90 7.292 8.016 0.384 743 H GLU 91 H GLU 91 6.999 9.839 -1.621 744 HA GLU 91 HA GLU 91 7.814 12.101 -0.310 745 HB2 GLU 91 HB2 GLU 91 7.397 12.107 -3.292 746 HB3 GLU 91 HB3 GLU 91 8.640 12.942 -2.367 747 HG2 GLU 91 HG2 GLU 91 9.659 10.807 -1.798 748 HG3 GLU 91 HG3 GLU 91 8.398 9.976 -2.707 749 H SER 92 H SER 92 5.174 11.847 -2.643 750 HA SER 92 HA SER 92 4.240 14.418 -2.511 751 HB2 SER 92 HB2 SER 92 3.510 12.762 -4.166 752 HB3 SER 92 HB3 SER 92 2.631 11.889 -2.913 753 HG SER 92 HG SER 92 1.998 14.261 -4.208 754 H GLU 93 H GLU 93 3.915 11.932 -0.129 755 HA GLU 93 HA GLU 93 1.635 13.216 1.180 756 HB2 GLU 93 HB2 GLU 93 3.206 10.801 2.082 757 HB3 GLU 93 HB3 GLU 93 1.636 11.330 2.664 758 HG2 GLU 93 HG2 GLU 93 2.170 10.415 -0.146 759 HG3 GLU 93 HG3 GLU 93 1.571 9.375 1.145 760 H GLY 94 H GLY 94 4.984 13.394 1.074 761 HA2 GLY 94 HA2 GLY 94 6.247 15.045 2.229 762 HA3 GLY 94 HA3 GLY 94 4.970 15.134 3.438 763 H LEU 95 H LEU 95 5.539 11.984 2.545 764 HA LEU 95 HA LEU 95 6.298 10.175 3.678 765 HB2 LEU 95 HB2 LEU 95 8.387 11.408 2.810 766 HB3 LEU 95 HB3 LEU 95 8.646 11.866 4.482 767 HG LEU 95 HG LEU 95 9.978 9.894 3.763 768 HD11 LEU 95 HD11 LEU 95 9.425 10.219 6.123 769 HD12 LEU 95 HD12 LEU 95 9.514 8.509 5.701 770 HD13 LEU 95 HD13 LEU 95 7.944 9.287 5.902 771 HD21 LEU 95 HD21 LEU 95 7.278 8.571 3.531 772 HD22 LEU 95 HD22 LEU 95 8.834 7.742 3.469 773 HD23 LEU 95 HD23 LEU 95 8.403 8.904 2.214 774 H SER 96 H SER 96 4.426 11.079 5.151 775 HA SER 96 HA SER 96 5.508 11.030 7.878 776 HB2 SER 96 HB2 SER 96 4.362 13.121 7.250 777 HB3 SER 96 HB3 SER 96 2.911 12.205 6.847 778 HG SER 96 HG SER 96 2.518 12.777 8.880 779 H LEU 97 H LEU 97 5.207 8.584 6.700 780 HA LEU 97 HA LEU 97 2.562 7.557 7.449 781 HB2 LEU 97 HB2 LEU 97 4.781 6.194 5.919 782 HB3 LEU 97 HB3 LEU 97 3.211 5.503 6.277 783 HG LEU 97 HG LEU 97 2.248 7.483 4.940 784 HD11 LEU 97 HD11 LEU 97 5.113 7.550 4.000 785 HD12 LEU 97 HD12 LEU 97 4.239 8.848 4.814 786 HD13 LEU 97 HD13 LEU 97 3.761 8.345 3.193 787 HD21 LEU 97 HD21 LEU 97 2.503 6.264 2.851 788 HD22 LEU 97 HD22 LEU 97 2.224 5.155 4.193 789 HD23 LEU 97 HD23 LEU 97 3.848 5.351 3.533 790 H LEU 98 H LEU 98 5.703 5.930 7.449 791 HA LEU 98 HA LEU 98 5.558 4.506 9.650 792 HB2 LEU 98 HB2 LEU 98 7.947 6.087 8.732 793 HB3 LEU 98 HB3 LEU 98 8.044 4.933 10.048 794 HG LEU 98 HG LEU 98 7.119 4.192 7.276 795 HD11 LEU 98 HD11 LEU 98 9.402 5.012 7.149 796 HD12 LEU 98 HD12 LEU 98 9.365 3.260 6.958 797 HD13 LEU 98 HD13 LEU 98 9.870 3.968 8.491 798 HD21 LEU 98 HD21 LEU 98 8.129 2.504 9.562 799 HD22 LEU 98 HD22 LEU 98 7.522 1.928 8.010 800 HD23 LEU 98 HD23 LEU 98 6.430 2.721 9.145 801 H ASN 99 H ASN 99 7.184 7.667 9.951 802 HA ASN 99 HA ASN 99 6.496 7.707 12.789 803 HB2 ASN 99 HB2 ASN 99 8.820 8.184 12.186 804 HB3 ASN 99 HB3 ASN 99 8.296 9.525 11.173 805 HD21 ASN 99 HD21 ASN 99 8.742 8.388 14.421 806 HD22 ASN 99 HD22 ASN 99 8.583 9.922 15.197 807 H VAL 100 H VAL 100 5.074 9.082 13.687 808 HA VAL 100 HA VAL 100 4.010 11.290 12.078 809 HB VAL 100 HB VAL 100 1.702 10.742 12.790 810 HG11 VAL 100 HG11 VAL 100 2.470 10.090 10.577 811 HG12 VAL 100 HG12 VAL 100 1.355 8.887 11.224 812 HG13 VAL 100 HG13 VAL 100 3.090 8.571 11.222 813 HG21 VAL 100 HG21 VAL 100 2.223 9.416 14.767 814 HG22 VAL 100 HG22 VAL 100 2.936 8.161 13.753 815 HG23 VAL 100 HG23 VAL 100 1.207 8.500 13.652 816 H GLY 101 H GLY 101 3.418 13.088 13.236 817 HA2 GLY 101 HA2 GLY 101 3.227 12.917 16.153 818 HA3 GLY 101 HA3 GLY 101 4.515 13.901 15.476 819 H ILE 102 H ILE 102 4.061 15.987 15.415 820 HA ILE 102 HA ILE 102 1.503 17.045 15.916 821 HB ILE 102 HB ILE 102 3.530 18.294 16.440 822 HG12 ILE 102 HG12 ILE 102 2.862 20.501 15.501 823 HG13 ILE 102 HG13 ILE 102 1.774 19.670 14.393 824 HG21 ILE 102 HG21 ILE 102 4.910 17.600 14.567 825 HG22 ILE 102 HG22 ILE 102 4.851 19.360 14.669 826 HG23 ILE 102 HG23 ILE 102 3.891 18.515 13.455 827 HD11 ILE 102 HD11 ILE 102 0.497 18.818 16.287 828 HD12 ILE 102 HD12 ILE 102 0.577 20.579 16.298 829 HD13 ILE 102 HD13 ILE 102 1.590 19.645 17.397 830 H GLY 103 H GLY 103 -0.009 18.027 14.586 831 HA2 GLY 103 HA2 GLY 103 -0.042 18.779 12.058 832 HA3 GLY 103 HA3 GLY 103 -0.010 17.036 11.837 Start of MODEL 12 1 H GLY 1 H GLY 1 5.475 -0.911 -19.494 2 HA2 GLY 1 HA2 GLY 1 7.615 0.165 -19.247 3 HA3 GLY 1 HA3 GLY 1 6.312 1.340 -19.338 4 H SER 2 H SER 2 6.114 2.802 -17.750 5 HA SER 2 HA SER 2 8.027 2.663 -15.553 6 HB2 SER 2 HB2 SER 2 7.426 5.030 -15.173 7 HB3 SER 2 HB3 SER 2 7.930 4.744 -16.838 8 HG SER 2 HG SER 2 6.046 5.407 -17.458 9 H TYR 3 H TYR 3 4.549 2.925 -16.108 10 HA TYR 3 HA TYR 3 2.744 2.545 -14.782 11 HB2 TYR 3 HB2 TYR 3 3.858 0.357 -14.451 12 HB3 TYR 3 HB3 TYR 3 4.709 1.018 -13.060 13 HD1 TYR 3 HD1 TYR 3 1.436 -0.051 -14.350 14 HD2 TYR 3 HD2 TYR 3 3.596 1.316 -10.948 15 HE1 TYR 3 HE1 TYR 3 -0.445 -0.696 -12.903 16 HE2 TYR 3 HE2 TYR 3 1.721 0.675 -9.492 17 HH TYR 3 HH TYR 3 -0.700 0.293 -9.669 18 H TRP 4 H TRP 4 2.044 4.398 -13.917 19 HA TRP 4 HA TRP 4 3.009 5.126 -11.268 20 HB2 TRP 4 HB2 TRP 4 4.370 6.484 -12.810 21 HB3 TRP 4 HB3 TRP 4 2.901 7.121 -13.541 22 HD1 TRP 4 HD1 TRP 4 1.601 9.021 -12.231 23 HE1 TRP 4 HE1 TRP 4 2.227 10.496 -10.217 24 HE3 TRP 4 HE3 TRP 4 5.687 6.436 -10.568 25 HZ2 TRP 4 HZ2 TRP 4 4.192 10.557 -8.191 26 HZ3 TRP 4 HZ3 TRP 4 6.883 7.271 -8.586 27 HH2 TRP 4 HH2 TRP 4 6.151 9.289 -7.424 28 HA PRO 5 HA PRO 5 -1.562 5.186 -11.267 29 HB2 PRO 5 HB2 PRO 5 -1.019 5.479 -8.365 30 HB3 PRO 5 HB3 PRO 5 -2.080 4.341 -9.202 31 HG2 PRO 5 HG2 PRO 5 0.238 3.536 -8.158 32 HG3 PRO 5 HG3 PRO 5 -0.346 2.887 -9.702 33 HD2 PRO 5 HD2 PRO 5 1.763 4.946 -9.185 34 HD3 PRO 5 HD3 PRO 5 1.733 3.642 -10.389 35 H ALA 6 H ALA 6 -3.139 6.735 -10.304 36 HA ALA 6 HA ALA 6 -2.271 9.399 -10.641 37 HB1 ALA 6 HB1 ALA 6 -4.565 10.028 -10.132 38 HB2 ALA 6 HB2 ALA 6 -4.889 8.405 -9.524 39 HB3 ALA 6 HB3 ALA 6 -4.525 8.650 -11.232 40 H ARG 7 H ARG 7 -4.249 8.581 -7.843 41 HA ARG 7 HA ARG 7 -2.182 9.431 -6.005 42 HB2 ARG 7 HB2 ARG 7 -4.760 10.982 -6.291 43 HB3 ARG 7 HB3 ARG 7 -3.643 11.154 -4.944 44 HG2 ARG 7 HG2 ARG 7 -1.897 11.888 -6.500 45 HG3 ARG 7 HG3 ARG 7 -3.043 11.747 -7.835 46 HD2 ARG 7 HD2 ARG 7 -4.474 13.425 -6.788 47 HD3 ARG 7 HD3 ARG 7 -3.347 13.555 -5.439 48 HE ARG 7 HE ARG 7 -2.005 14.052 -7.872 49 HH11 ARG 7 HH11 ARG 7 -4.301 15.499 -5.687 50 HH12 ARG 7 HH12 ARG 7 -3.873 17.123 -6.109 51 HH21 ARG 7 HH21 ARG 7 -1.434 16.187 -8.433 52 HH22 ARG 7 HH22 ARG 7 -2.244 17.515 -7.669 53 H HIS 8 H HIS 8 -5.715 9.424 -5.658 54 HA HIS 8 HA HIS 8 -5.510 7.715 -3.337 55 HB2 HIS 8 HB2 HIS 8 -7.942 8.827 -4.759 56 HB3 HIS 8 HB3 HIS 8 -7.963 7.983 -3.214 57 HD1 HIS 8 HD1 HIS 8 -7.499 9.347 -1.151 58 HD2 HIS 8 HD2 HIS 8 -6.659 11.407 -4.661 59 HE1 HIS 8 HE1 HIS 8 -7.041 11.717 -0.447 60 HE2 HIS 8 HE2 HIS 8 -6.626 12.965 -2.597 61 H SER 9 H SER 9 -5.236 7.008 -6.454 62 HA SER 9 HA SER 9 -7.056 5.043 -7.085 63 HB2 SER 9 HB2 SER 9 -4.095 5.075 -7.729 64 HB3 SER 9 HB3 SER 9 -5.307 4.090 -8.551 65 HG SER 9 HG SER 9 -5.054 5.909 -9.768 66 H GLY 10 H GLY 10 -7.190 2.818 -6.776 67 HA2 GLY 10 HA2 GLY 10 -6.608 1.776 -4.315 68 HA3 GLY 10 HA3 GLY 10 -6.885 0.787 -5.741 69 H ALA 11 H ALA 11 -4.822 0.850 -7.262 70 HA ALA 11 HA ALA 11 -2.819 -0.565 -6.058 71 HB1 ALA 11 HB1 ALA 11 -2.582 1.139 -8.533 72 HB2 ALA 11 HB2 ALA 11 -3.170 -0.524 -8.463 73 HB3 ALA 11 HB3 ALA 11 -1.487 -0.165 -8.072 74 H ARG 12 H ARG 12 -3.188 2.881 -6.147 75 HA ARG 12 HA ARG 12 -0.450 3.559 -5.578 76 HB2 ARG 12 HB2 ARG 12 -2.506 4.962 -6.571 77 HB3 ARG 12 HB3 ARG 12 -2.692 5.382 -4.881 78 HG2 ARG 12 HG2 ARG 12 -0.052 5.659 -6.243 79 HG3 ARG 12 HG3 ARG 12 -1.287 6.909 -6.388 80 HD2 ARG 12 HD2 ARG 12 -1.376 7.041 -3.914 81 HD3 ARG 12 HD3 ARG 12 -0.053 5.878 -3.835 82 HE ARG 12 HE ARG 12 1.136 7.682 -5.271 83 HH11 ARG 12 HH11 ARG 12 -1.098 8.254 -2.659 84 HH12 ARG 12 HH12 ARG 12 -0.402 9.781 -2.227 85 HH21 ARG 12 HH21 ARG 12 2.055 9.692 -4.714 86 HH22 ARG 12 HH22 ARG 12 1.389 10.597 -3.396 87 H VAL 13 H VAL 13 -3.488 3.425 -3.783 88 HA VAL 13 HA VAL 13 -2.450 4.247 -1.308 89 HB VAL 13 HB VAL 13 -4.896 2.573 -1.879 90 HG11 VAL 13 HG11 VAL 13 -5.678 3.335 0.319 91 HG12 VAL 13 HG12 VAL 13 -4.117 4.109 0.594 92 HG13 VAL 13 HG13 VAL 13 -4.216 2.354 0.438 93 HG21 VAL 13 HG21 VAL 13 -4.529 5.545 -1.557 94 HG22 VAL 13 HG22 VAL 13 -6.092 4.732 -1.588 95 HG23 VAL 13 HG23 VAL 13 -5.046 4.686 -3.007 96 H ILE 14 H ILE 14 -2.839 1.019 -2.747 97 HA ILE 14 HA ILE 14 -2.139 -0.360 -0.445 98 HB ILE 14 HB ILE 14 -1.753 -2.310 -1.858 99 HG12 ILE 14 HG12 ILE 14 -2.096 -0.402 -4.176 100 HG13 ILE 14 HG13 ILE 14 -0.605 -1.226 -3.735 101 HG21 ILE 14 HG21 ILE 14 -3.981 -2.415 -2.873 102 HG22 ILE 14 HG22 ILE 14 -4.147 -0.673 -2.649 103 HG23 ILE 14 HG23 ILE 14 -4.015 -1.734 -1.247 104 HD11 ILE 14 HD11 ILE 14 -1.615 -3.370 -4.237 105 HD12 ILE 14 HD12 ILE 14 -1.713 -2.288 -5.626 106 HD13 ILE 14 HD13 ILE 14 -3.139 -2.575 -4.629 107 H LEU 15 H LEU 15 0.066 -0.040 -3.284 108 HA LEU 15 HA LEU 15 2.256 -0.846 -2.058 109 HB2 LEU 15 HB2 LEU 15 2.348 1.505 -3.939 110 HB3 LEU 15 HB3 LEU 15 3.615 0.338 -3.646 111 HG LEU 15 HG LEU 15 0.978 -0.579 -4.720 112 HD11 LEU 15 HD11 LEU 15 1.886 -0.302 -6.994 113 HD12 LEU 15 HD12 LEU 15 3.235 0.613 -6.320 114 HD13 LEU 15 HD13 LEU 15 1.590 1.234 -6.182 115 HD21 LEU 15 HD21 LEU 15 2.597 -2.242 -3.962 116 HD22 LEU 15 HD22 LEU 15 3.815 -1.554 -5.036 117 HD23 LEU 15 HD23 LEU 15 2.377 -2.320 -5.710 118 H LEU 16 H LEU 16 0.843 2.293 -1.463 119 HA LEU 16 HA LEU 16 3.242 3.472 -0.356 120 HB2 LEU 16 HB2 LEU 16 1.594 4.874 -1.467 121 HB3 LEU 16 HB3 LEU 16 0.343 4.298 -0.386 122 HG LEU 16 HG LEU 16 1.564 5.315 1.503 123 HD11 LEU 16 HD11 LEU 16 3.261 6.521 -0.675 124 HD12 LEU 16 HD12 LEU 16 3.795 5.332 0.512 125 HD13 LEU 16 HD13 LEU 16 3.319 6.947 1.036 126 HD21 LEU 16 HD21 LEU 16 -0.297 6.458 0.476 127 HD22 LEU 16 HD22 LEU 16 0.768 7.144 -0.751 128 HD23 LEU 16 HD23 LEU 16 0.940 7.628 0.937 129 H VAL 17 H VAL 17 0.175 2.095 0.682 130 HA VAL 17 HA VAL 17 0.523 2.587 3.457 131 HB VAL 17 HB VAL 17 -1.620 2.094 2.123 132 HG11 VAL 17 HG11 VAL 17 -1.124 0.013 1.136 133 HG12 VAL 17 HG12 VAL 17 -2.369 -0.274 2.354 134 HG13 VAL 17 HG13 VAL 17 -0.692 -0.698 2.691 135 HG21 VAL 17 HG21 VAL 17 -2.708 1.161 4.141 136 HG22 VAL 17 HG22 VAL 17 -1.651 2.535 4.475 137 HG23 VAL 17 HG23 VAL 17 -1.107 0.896 4.831 138 H LEU 18 H LEU 18 0.960 -0.363 1.450 139 HA LEU 18 HA LEU 18 1.984 -1.937 3.407 140 HB2 LEU 18 HB2 LEU 18 2.963 -1.898 0.546 141 HB3 LEU 18 HB3 LEU 18 3.190 -3.214 1.677 142 HG LEU 18 HG LEU 18 0.739 -2.394 0.196 143 HD11 LEU 18 HD11 LEU 18 2.148 -4.129 -0.719 144 HD12 LEU 18 HD12 LEU 18 0.599 -4.795 -0.206 145 HD13 LEU 18 HD13 LEU 18 2.035 -5.038 0.787 146 HD21 LEU 18 HD21 LEU 18 0.744 -3.971 2.767 147 HD22 LEU 18 HD22 LEU 18 -0.625 -3.823 1.666 148 HD23 LEU 18 HD23 LEU 18 -0.013 -2.399 2.506 149 H TYR 19 H TYR 19 3.450 0.778 1.895 150 HA TYR 19 HA TYR 19 6.191 0.130 2.187 151 HB2 TYR 19 HB2 TYR 19 5.410 2.013 0.815 152 HB3 TYR 19 HB3 TYR 19 4.869 2.843 2.269 153 HD1 TYR 19 HD1 TYR 19 7.918 1.472 0.635 154 HD2 TYR 19 HD2 TYR 19 6.322 4.231 3.453 155 HE1 TYR 19 HE1 TYR 19 10.144 2.484 0.897 156 HE2 TYR 19 HE2 TYR 19 8.544 5.250 3.723 157 HH TYR 19 HH TYR 19 11.127 4.613 1.613 158 H ARG 20 H ARG 20 4.340 2.436 4.240 159 HA ARG 20 HA ARG 20 6.087 2.410 6.288 160 HB2 ARG 20 HB2 ARG 20 4.182 3.930 6.180 161 HB3 ARG 20 HB3 ARG 20 3.073 2.606 6.503 162 HG2 ARG 20 HG2 ARG 20 5.214 3.193 8.485 163 HG3 ARG 20 HG3 ARG 20 3.811 4.258 8.398 164 HD2 ARG 20 HD2 ARG 20 3.736 1.269 8.803 165 HD3 ARG 20 HD3 ARG 20 3.512 2.483 10.062 166 HE ARG 20 HE ARG 20 1.670 2.912 7.967 167 HH11 ARG 20 HH11 ARG 20 2.322 0.741 10.613 168 HH12 ARG 20 HH12 ARG 20 0.659 0.312 10.839 169 HH21 ARG 20 HH21 ARG 20 -0.520 2.354 8.257 170 HH22 ARG 20 HH22 ARG 20 -0.956 1.229 9.499 171 H GLU 21 H GLU 21 3.127 0.420 6.513 172 HA GLU 21 HA GLU 21 3.790 -1.104 8.503 173 HB2 GLU 21 HB2 GLU 21 1.680 -1.325 7.237 174 HB3 GLU 21 HB3 GLU 21 2.525 -2.279 6.025 175 HG2 GLU 21 HG2 GLU 21 1.290 -3.701 7.545 176 HG3 GLU 21 HG3 GLU 21 3.023 -3.978 7.693 177 H HIS 22 H HIS 22 5.429 -1.316 5.480 178 HA HIS 22 HA HIS 22 6.502 -3.987 5.966 179 HB2 HIS 22 HB2 HIS 22 6.130 -3.502 3.665 180 HB3 HIS 22 HB3 HIS 22 6.954 -1.954 3.782 181 HD1 HIS 22 HD1 HIS 22 7.510 -5.499 3.036 182 HD2 HIS 22 HD2 HIS 22 9.829 -2.203 4.049 183 HE1 HIS 22 HE1 HIS 22 9.870 -6.121 2.428 184 HE2 HIS 22 HE2 HIS 22 11.242 -4.082 2.972 185 H LEU 23 H LEU 23 7.471 -0.599 5.982 186 HA LEU 23 HA LEU 23 10.106 -1.059 6.813 187 HB2 LEU 23 HB2 LEU 23 8.295 1.303 6.724 188 HB3 LEU 23 HB3 LEU 23 9.773 1.429 7.661 189 HG LEU 23 HG LEU 23 11.009 0.699 5.591 190 HD11 LEU 23 HD11 LEU 23 9.956 0.905 3.453 191 HD12 LEU 23 HD12 LEU 23 8.441 1.406 4.203 192 HD13 LEU 23 HD13 LEU 23 9.033 -0.240 4.429 193 HD21 LEU 23 HD21 LEU 23 10.995 3.006 6.350 194 HD22 LEU 23 HD22 LEU 23 9.485 3.292 5.487 195 HD23 LEU 23 HD23 LEU 23 10.958 2.930 4.589 196 H ASN 24 H ASN 24 7.548 -1.971 8.446 197 HA ASN 24 HA ASN 24 8.298 -1.018 11.075 198 HB2 ASN 24 HB2 ASN 24 6.064 -2.726 10.017 199 HB3 ASN 24 HB3 ASN 24 6.401 -2.657 11.745 200 HD21 ASN 24 HD21 ASN 24 6.151 -0.694 12.845 201 HD22 ASN 24 HD22 ASN 24 5.177 0.578 12.201 202 HA PRO 25 HA PRO 25 11.134 -4.564 11.389 203 HB2 PRO 25 HB2 PRO 25 11.750 -3.272 13.966 204 HB3 PRO 25 HB3 PRO 25 12.830 -3.708 12.643 205 HG2 PRO 25 HG2 PRO 25 12.205 -1.153 13.162 206 HG3 PRO 25 HG3 PRO 25 12.451 -1.735 11.504 207 HD2 PRO 25 HD2 PRO 25 9.892 -1.180 12.956 208 HD3 PRO 25 HD3 PRO 25 10.328 -0.852 11.271 209 H ASN 26 H ASN 26 8.769 -3.366 13.652 210 HA ASN 26 HA ASN 26 8.769 -5.965 14.997 211 HB2 ASN 26 HB2 ASN 26 9.602 -4.115 16.503 212 HB3 ASN 26 HB3 ASN 26 8.014 -3.369 16.353 213 HD21 ASN 26 HD21 ASN 26 6.283 -4.242 17.430 214 HD22 ASN 26 HD22 ASN 26 6.442 -5.492 18.612 215 H GLY 27 H GLY 27 7.334 -5.193 12.655 216 HA2 GLY 27 HA2 GLY 27 4.596 -4.809 13.680 217 HA3 GLY 27 HA3 GLY 27 5.097 -4.226 12.100 218 H HIS 28 H HIS 28 4.307 -5.451 10.530 219 HA HIS 28 HA HIS 28 4.426 -8.375 10.861 220 HB2 HIS 28 HB2 HIS 28 2.242 -6.746 9.546 221 HB3 HIS 28 HB3 HIS 28 2.320 -8.504 9.562 222 HD1 HIS 28 HD1 HIS 28 1.492 -9.692 11.637 223 HD2 HIS 28 HD2 HIS 28 1.671 -5.565 12.088 224 HE1 HIS 28 HE1 HIS 28 0.313 -9.201 13.804 225 HE2 HIS 28 HE2 HIS 28 0.355 -6.690 14.009 226 H HIS 29 H HIS 29 5.189 -5.668 8.948 227 HA HIS 29 HA HIS 29 6.337 -5.426 7.003 228 HB2 HIS 29 HB2 HIS 29 6.687 -8.427 7.166 229 HB3 HIS 29 HB3 HIS 29 7.558 -7.356 6.074 230 HD1 HIS 29 HD1 HIS 29 7.606 -8.704 9.488 231 HD2 HIS 29 HD2 HIS 29 9.397 -5.580 7.415 232 HE1 HIS 29 HE1 HIS 29 9.537 -7.968 10.920 233 HE2 HIS 29 HE2 HIS 29 10.549 -6.017 9.688 234 H PHE 30 H PHE 30 3.411 -6.252 7.188 235 HA PHE 30 HA PHE 30 2.835 -6.191 4.449 236 HB2 PHE 30 HB2 PHE 30 1.657 -8.403 4.238 237 HB3 PHE 30 HB3 PHE 30 3.407 -8.506 4.280 238 HD1 PHE 30 HD1 PHE 30 0.520 -8.603 6.650 239 HD2 PHE 30 HD2 PHE 30 4.331 -10.157 5.567 240 HE1 PHE 30 HE1 PHE 30 0.365 -10.242 8.477 241 HE2 PHE 30 HE2 PHE 30 4.181 -11.803 7.390 242 HZ PHE 30 HZ PHE 30 2.196 -11.846 8.848 243 H LEU 31 H LEU 31 0.395 -6.806 4.083 244 HA LEU 31 HA LEU 31 -1.265 -6.319 6.421 245 HB2 LEU 31 HB2 LEU 31 -1.036 -4.494 4.041 246 HB3 LEU 31 HB3 LEU 31 -2.461 -4.524 5.054 247 HG LEU 31 HG LEU 31 0.314 -3.900 6.053 248 HD11 LEU 31 HD11 LEU 31 -0.462 -1.573 6.160 249 HD12 LEU 31 HD12 LEU 31 -1.955 -2.046 5.349 250 HD13 LEU 31 HD13 LEU 31 -0.413 -2.182 4.506 251 HD21 LEU 31 HD21 LEU 31 -2.396 -3.610 7.345 252 HD22 LEU 31 HD22 LEU 31 -0.860 -3.093 8.041 253 HD23 LEU 31 HD23 LEU 31 -1.169 -4.806 7.762 254 H THR 32 H THR 32 -3.494 -6.843 6.061 255 HA THR 32 HA THR 32 -3.795 -8.795 3.884 256 HB THR 32 HB THR 32 -5.735 -9.667 5.112 257 HG1 THR 32 HG1 THR 32 -5.262 -8.471 7.491 258 HG21 THR 32 HG21 THR 32 -4.528 -10.647 7.015 259 HG22 THR 32 HG22 THR 32 -3.245 -9.453 6.809 260 HG23 THR 32 HG23 THR 32 -3.545 -10.651 5.550 261 H LYS 33 H LYS 33 -6.235 -8.885 3.155 262 HA LYS 33 HA LYS 33 -6.654 -6.487 1.683 263 HB2 LYS 33 HB2 LYS 33 -8.063 -9.077 2.013 264 HB3 LYS 33 HB3 LYS 33 -9.025 -7.717 1.453 265 HG2 LYS 33 HG2 LYS 33 -6.474 -8.639 0.150 266 HG3 LYS 33 HG3 LYS 33 -8.093 -9.109 -0.370 267 HD2 LYS 33 HD2 LYS 33 -8.634 -6.720 -0.717 268 HD3 LYS 33 HD3 LYS 33 -6.974 -6.307 -0.286 269 HE2 LYS 33 HE2 LYS 33 -7.266 -6.363 -2.707 270 HE3 LYS 33 HE3 LYS 33 -6.152 -7.621 -2.173 271 HZ1 LYS 33 HZ1 LYS 33 -7.951 -9.229 -2.331 272 HZ2 LYS 33 HZ2 LYS 33 -7.706 -8.460 -3.818 273 HZ3 LYS 33 HZ3 LYS 33 -9.018 -8.021 -2.846 274 H GLU 34 H GLU 34 -7.969 -7.787 4.678 275 HA GLU 34 HA GLU 34 -9.973 -5.760 4.921 276 HB2 GLU 34 HB2 GLU 34 -10.322 -6.704 7.171 277 HB3 GLU 34 HB3 GLU 34 -10.325 -7.939 5.921 278 HG2 GLU 34 HG2 GLU 34 -8.025 -8.526 6.498 279 HG3 GLU 34 HG3 GLU 34 -8.029 -7.292 7.756 280 H GLU 35 H GLU 35 -6.646 -6.053 5.880 281 HA GLU 35 HA GLU 35 -6.739 -4.122 8.002 282 HB2 GLU 35 HB2 GLU 35 -4.478 -5.364 6.447 283 HB3 GLU 35 HB3 GLU 35 -4.211 -4.114 7.654 284 HG2 GLU 35 HG2 GLU 35 -5.233 -5.528 9.357 285 HG3 GLU 35 HG3 GLU 35 -5.516 -6.781 8.151 286 H LEU 36 H LEU 36 -5.615 -4.003 4.611 287 HA LEU 36 HA LEU 36 -4.904 -1.481 4.403 288 HB2 LEU 36 HB2 LEU 36 -6.762 -2.538 2.305 289 HB3 LEU 36 HB3 LEU 36 -5.348 -1.525 2.100 290 HG LEU 36 HG LEU 36 -5.324 -4.430 2.872 291 HD11 LEU 36 HD11 LEU 36 -4.609 -3.082 0.276 292 HD12 LEU 36 HD12 LEU 36 -6.023 -4.096 0.568 293 HD13 LEU 36 HD13 LEU 36 -4.406 -4.796 0.637 294 HD21 LEU 36 HD21 LEU 36 -3.436 -3.236 3.828 295 HD22 LEU 36 HD22 LEU 36 -3.064 -2.533 2.254 296 HD23 LEU 36 HD23 LEU 36 -2.899 -4.271 2.504 297 H LEU 37 H LEU 37 -8.227 -2.495 4.782 298 HA LEU 37 HA LEU 37 -9.525 -0.147 3.939 299 HB2 LEU 37 HB2 LEU 37 -10.237 -2.386 5.784 300 HB3 LEU 37 HB3 LEU 37 -11.259 -0.964 5.736 301 HG LEU 37 HG LEU 37 -12.102 -2.761 4.289 302 HD11 LEU 37 HD11 LEU 37 -11.116 -0.345 2.781 303 HD12 LEU 37 HD12 LEU 37 -12.604 -0.449 3.723 304 HD13 LEU 37 HD13 LEU 37 -12.412 -1.425 2.265 305 HD21 LEU 37 HD21 LEU 37 -10.898 -3.366 2.252 306 HD22 LEU 37 HD22 LEU 37 -9.973 -3.787 3.693 307 HD23 LEU 37 HD23 LEU 37 -9.538 -2.360 2.753 308 H GLN 38 H GLN 38 -7.915 -0.918 6.980 309 HA GLN 38 HA GLN 38 -9.138 1.369 8.329 310 HB2 GLN 38 HB2 GLN 38 -7.148 -0.679 9.331 311 HB3 GLN 38 HB3 GLN 38 -7.809 0.644 10.281 312 HG2 GLN 38 HG2 GLN 38 -10.047 -0.302 10.049 313 HG3 GLN 38 HG3 GLN 38 -9.385 -1.629 9.094 314 HE21 GLN 38 HE21 GLN 38 -9.646 -0.222 12.258 315 HE22 GLN 38 HE22 GLN 38 -9.075 -1.593 13.139 316 H ARG 39 H ARG 39 -5.979 0.021 7.473 317 HA ARG 39 HA ARG 39 -4.329 2.081 7.953 318 HB2 ARG 39 HB2 ARG 39 -4.194 0.453 5.423 319 HB3 ARG 39 HB3 ARG 39 -2.855 1.226 6.260 320 HG2 ARG 39 HG2 ARG 39 -4.517 -0.941 7.483 321 HG3 ARG 39 HG3 ARG 39 -3.060 -1.257 6.547 322 HD2 ARG 39 HD2 ARG 39 -2.384 -1.243 8.806 323 HD3 ARG 39 HD3 ARG 39 -1.860 0.300 8.136 324 HE ARG 39 HE ARG 39 -4.339 0.774 9.226 325 HH11 ARG 39 HH11 ARG 39 -1.264 -0.389 10.383 326 HH12 ARG 39 HH12 ARG 39 -1.483 0.239 11.981 327 HH21 ARG 39 HH21 ARG 39 -4.636 1.603 11.329 328 HH22 ARG 39 HH22 ARG 39 -3.399 1.369 12.520 329 H CYS 40 H CYS 40 -6.399 1.749 5.132 330 HA CYS 40 HA CYS 40 -5.441 3.843 3.573 331 HB2 CYS 40 HB2 CYS 40 -7.114 2.217 2.783 332 HB3 CYS 40 HB3 CYS 40 -8.314 2.937 3.848 333 HG CYS 40 HG CYS 40 -8.244 5.437 2.521 334 H ALA 41 H ALA 41 -7.679 3.906 6.294 335 HA ALA 41 HA ALA 41 -8.451 6.535 6.162 336 HB1 ALA 41 HB1 ALA 41 -9.424 4.920 7.716 337 HB2 ALA 41 HB2 ALA 41 -8.949 6.406 8.540 338 HB3 ALA 41 HB3 ALA 41 -7.949 4.961 8.682 339 H GLN 42 H GLN 42 -5.357 5.947 5.978 340 HA GLN 42 HA GLN 42 -4.505 7.867 7.999 341 HB2 GLN 42 HB2 GLN 42 -2.838 5.641 6.800 342 HB3 GLN 42 HB3 GLN 42 -2.226 6.914 7.846 343 HG2 GLN 42 HG2 GLN 42 -4.259 4.830 8.612 344 HG3 GLN 42 HG3 GLN 42 -2.554 4.831 9.061 345 HE21 GLN 42 HE21 GLN 42 -5.659 6.298 9.575 346 HE22 GLN 42 HE22 GLN 42 -5.244 7.154 11.018 347 H LYS 43 H LYS 43 -4.515 6.639 4.761 348 HA LYS 43 HA LYS 43 -2.696 8.324 3.489 349 HB2 LYS 43 HB2 LYS 43 -3.930 6.309 2.551 350 HB3 LYS 43 HB3 LYS 43 -5.298 7.384 2.293 351 HG2 LYS 43 HG2 LYS 43 -4.412 8.200 0.431 352 HG3 LYS 43 HG3 LYS 43 -2.854 8.490 1.212 353 HD2 LYS 43 HD2 LYS 43 -2.306 6.111 0.941 354 HD3 LYS 43 HD3 LYS 43 -3.836 5.869 0.095 355 HE2 LYS 43 HE2 LYS 43 -1.559 7.638 -0.783 356 HE3 LYS 43 HE3 LYS 43 -2.020 6.091 -1.493 357 HZ1 LYS 43 HZ1 LYS 43 -2.844 7.987 -2.772 358 HZ2 LYS 43 HZ2 LYS 43 -3.732 8.518 -1.434 359 HZ3 LYS 43 HZ3 LYS 43 -4.115 7.045 -2.173 360 H SER 44 H SER 44 -6.234 8.661 3.385 361 HA SER 44 HA SER 44 -5.894 11.571 3.152 362 HB2 SER 44 HB2 SER 44 -7.047 10.526 1.256 363 HB3 SER 44 HB3 SER 44 -8.231 9.817 2.353 364 HG SER 44 HG SER 44 -9.185 11.708 2.575 365 HA PRO 45 HA PRO 45 -7.535 12.182 7.212 366 HB2 PRO 45 HB2 PRO 45 -8.967 14.511 6.048 367 HB3 PRO 45 HB3 PRO 45 -7.845 14.446 7.411 368 HG2 PRO 45 HG2 PRO 45 -7.087 15.462 5.066 369 HG3 PRO 45 HG3 PRO 45 -5.974 14.488 6.043 370 HD2 PRO 45 HD2 PRO 45 -7.516 13.727 3.596 371 HD3 PRO 45 HD3 PRO 45 -5.866 13.278 4.075 372 H ARG 46 H ARG 46 -9.270 11.449 8.269 373 HA ARG 46 HA ARG 46 -11.135 10.033 8.367 374 HB2 ARG 46 HB2 ARG 46 -11.716 12.290 9.140 375 HB3 ARG 46 HB3 ARG 46 -12.186 12.732 7.505 376 HG2 ARG 46 HG2 ARG 46 -13.967 11.057 7.564 377 HG3 ARG 46 HG3 ARG 46 -13.497 10.622 9.208 378 HD2 ARG 46 HD2 ARG 46 -14.476 13.327 8.301 379 HD3 ARG 46 HD3 ARG 46 -15.416 12.136 9.198 380 HE ARG 46 HE ARG 46 -13.098 12.675 10.654 381 HH11 ARG 46 HH11 ARG 46 -15.997 14.309 9.622 382 HH12 ARG 46 HH12 ARG 46 -16.029 15.384 10.979 383 HH21 ARG 46 HH21 ARG 46 -13.132 14.087 12.444 384 HH22 ARG 46 HH22 ARG 46 -14.400 15.258 12.583 385 H VAL 47 H VAL 47 -10.884 8.524 6.662 386 HA VAL 47 HA VAL 47 -11.769 9.131 3.998 387 HB VAL 47 HB VAL 47 -11.508 6.703 3.582 388 HG11 VAL 47 HG11 VAL 47 -9.185 8.010 4.999 389 HG12 VAL 47 HG12 VAL 47 -9.607 8.196 3.298 390 HG13 VAL 47 HG13 VAL 47 -9.075 6.629 3.907 391 HG21 VAL 47 HG21 VAL 47 -10.735 6.601 6.497 392 HG22 VAL 47 HG22 VAL 47 -10.561 5.279 5.343 393 HG23 VAL 47 HG23 VAL 47 -12.166 5.869 5.772 394 H ALA 48 H ALA 48 -13.192 7.798 6.887 395 HA ALA 48 HA ALA 48 -15.377 7.541 7.476 396 HB1 ALA 48 HB1 ALA 48 -16.059 8.565 4.723 397 HB2 ALA 48 HB2 ALA 48 -15.895 9.555 6.173 398 HB3 ALA 48 HB3 ALA 48 -17.179 8.351 6.069 399 HA PRO 49 HA PRO 49 -15.847 3.372 6.031 400 HB2 PRO 49 HB2 PRO 49 -18.503 3.433 7.308 401 HB3 PRO 49 HB3 PRO 49 -17.107 2.412 7.668 402 HG2 PRO 49 HG2 PRO 49 -17.872 4.379 9.324 403 HG3 PRO 49 HG3 PRO 49 -16.162 3.975 9.083 404 HD2 PRO 49 HD2 PRO 49 -17.760 6.227 7.921 405 HD3 PRO 49 HD3 PRO 49 -16.101 6.233 8.558 406 H GLY 50 H GLY 50 -17.897 2.011 5.184 407 HA2 GLY 50 HA2 GLY 50 -19.379 1.693 3.464 408 HA3 GLY 50 HA3 GLY 50 -19.811 3.386 3.646 409 H SER 51 H SER 51 -16.544 3.225 3.125 410 HA SER 51 HA SER 51 -16.901 3.616 0.227 411 HB2 SER 51 HB2 SER 51 -14.943 5.006 2.071 412 HB3 SER 51 HB3 SER 51 -15.009 5.211 0.322 413 HG SER 51 HG SER 51 -17.414 5.589 1.601 414 H ALA 52 H ALA 52 -16.180 1.808 -0.709 415 HA ALA 52 HA ALA 52 -13.465 0.913 -0.032 416 HB1 ALA 52 HB1 ALA 52 -14.138 -1.420 -0.219 417 HB2 ALA 52 HB2 ALA 52 -15.808 -0.927 -0.503 418 HB3 ALA 52 HB3 ALA 52 -15.046 -0.606 1.056 419 HA PRO 53 HA PRO 53 -13.675 1.804 -4.552 420 HB2 PRO 53 HB2 PRO 53 -10.741 1.806 -4.109 421 HB3 PRO 53 HB3 PRO 53 -11.756 2.992 -4.938 422 HG2 PRO 53 HG2 PRO 53 -10.734 3.509 -2.529 423 HG3 PRO 53 HG3 PRO 53 -12.366 4.047 -2.968 424 HD2 PRO 53 HD2 PRO 53 -11.524 1.738 -1.263 425 HD3 PRO 53 HD3 PRO 53 -12.883 2.862 -1.049 426 HA PRO 54 HA PRO 54 -12.922 -2.287 -6.061 427 HB2 PRO 54 HB2 PRO 54 -11.664 -1.010 -8.426 428 HB3 PRO 54 HB3 PRO 54 -13.008 -2.153 -8.347 429 HG2 PRO 54 HG2 PRO 54 -13.433 0.426 -8.881 430 HG3 PRO 54 HG3 PRO 54 -14.560 -0.501 -7.874 431 HD2 PRO 54 HD2 PRO 54 -12.491 1.495 -7.062 432 HD3 PRO 54 HD3 PRO 54 -14.111 1.210 -6.393 433 H TRP 55 H TRP 55 -11.317 -3.125 -4.753 434 HA TRP 55 HA TRP 55 -8.582 -2.458 -5.461 435 HB2 TRP 55 HB2 TRP 55 -9.907 -3.149 -3.008 436 HB3 TRP 55 HB3 TRP 55 -8.530 -4.216 -3.276 437 HD1 TRP 55 HD1 TRP 55 -7.063 -1.584 -4.900 438 HE1 TRP 55 HE1 TRP 55 -5.824 0.082 -3.389 439 HE3 TRP 55 HE3 TRP 55 -9.192 -2.807 -0.411 440 HZ2 TRP 55 HZ2 TRP 55 -5.750 0.785 -0.670 441 HZ3 TRP 55 HZ3 TRP 55 -8.483 -1.578 1.588 442 HH2 TRP 55 HH2 TRP 55 -6.797 0.180 1.465 443 HA PRO 56 HA PRO 56 -9.167 -7.308 -6.325 444 HB2 PRO 56 HB2 PRO 56 -10.501 -6.524 -8.876 445 HB3 PRO 56 HB3 PRO 56 -10.740 -7.965 -7.881 446 HG2 PRO 56 HG2 PRO 56 -12.532 -5.999 -7.868 447 HG3 PRO 56 HG3 PRO 56 -12.114 -6.860 -6.375 448 HD2 PRO 56 HD2 PRO 56 -11.296 -4.138 -7.289 449 HD3 PRO 56 HD3 PRO 56 -11.657 -4.722 -5.651 450 H ALA 57 H ALA 57 -8.454 -4.354 -7.873 451 HA ALA 57 HA ALA 57 -6.740 -5.290 -9.925 452 HB1 ALA 57 HB1 ALA 57 -6.063 -2.964 -10.132 453 HB2 ALA 57 HB2 ALA 57 -6.831 -2.590 -8.588 454 HB3 ALA 57 HB3 ALA 57 -7.815 -3.085 -9.963 455 H LEU 58 H LEU 58 -6.369 -5.653 -6.723 456 HA LEU 58 HA LEU 58 -3.689 -4.694 -6.292 457 HB2 LEU 58 HB2 LEU 58 -5.587 -5.246 -4.562 458 HB3 LEU 58 HB3 LEU 58 -4.950 -6.875 -4.676 459 HG LEU 58 HG LEU 58 -3.350 -4.449 -3.859 460 HD11 LEU 58 HD11 LEU 58 -3.396 -5.462 -1.622 461 HD12 LEU 58 HD12 LEU 58 -4.524 -6.680 -2.219 462 HD13 LEU 58 HD13 LEU 58 -4.999 -4.981 -2.180 463 HD21 LEU 58 HD21 LEU 58 -2.660 -7.383 -3.906 464 HD22 LEU 58 HD22 LEU 58 -1.680 -6.126 -3.149 465 HD23 LEU 58 HD23 LEU 58 -1.940 -6.110 -4.894 466 H ARG 59 H ARG 59 -5.200 -7.878 -6.802 467 HA ARG 59 HA ARG 59 -2.932 -9.435 -6.875 468 HB2 ARG 59 HB2 ARG 59 -5.402 -9.741 -8.597 469 HB3 ARG 59 HB3 ARG 59 -4.216 -10.999 -8.285 470 HG2 ARG 59 HG2 ARG 59 -4.783 -10.962 -5.915 471 HG3 ARG 59 HG3 ARG 59 -5.957 -9.680 -6.213 472 HD2 ARG 59 HD2 ARG 59 -7.207 -11.177 -7.695 473 HD3 ARG 59 HD3 ARG 59 -6.036 -12.457 -7.386 474 HE ARG 59 HE ARG 59 -6.983 -11.666 -4.917 475 HH11 ARG 59 HH11 ARG 59 -8.311 -13.010 -7.845 476 HH12 ARG 59 HH12 ARG 59 -9.589 -13.849 -7.032 477 HH21 ARG 59 HH21 ARG 59 -8.662 -12.768 -3.839 478 HH22 ARG 59 HH22 ARG 59 -9.789 -13.712 -4.755 479 H SER 60 H SER 60 -4.282 -7.371 -9.376 480 HA SER 60 HA SER 60 -2.741 -8.116 -11.509 481 HB2 SER 60 HB2 SER 60 -3.574 -5.289 -10.804 482 HB3 SER 60 HB3 SER 60 -3.083 -5.846 -12.403 483 HG SER 60 HG SER 60 -5.084 -6.383 -12.674 484 H LEU 61 H LEU 61 -1.848 -6.091 -8.785 485 HA LEU 61 HA LEU 61 0.641 -5.205 -9.934 486 HB2 LEU 61 HB2 LEU 61 -0.550 -5.053 -7.179 487 HB3 LEU 61 HB3 LEU 61 1.118 -4.601 -7.480 488 HG LEU 61 HG LEU 61 0.065 -3.064 -9.323 489 HD11 LEU 61 HD11 LEU 61 -2.233 -3.360 -7.399 490 HD12 LEU 61 HD12 LEU 61 -2.206 -3.954 -9.059 491 HD13 LEU 61 HD13 LEU 61 -2.124 -2.222 -8.742 492 HD21 LEU 61 HD21 LEU 61 1.336 -2.287 -7.417 493 HD22 LEU 61 HD22 LEU 61 -0.077 -2.462 -6.377 494 HD23 LEU 61 HD23 LEU 61 -0.078 -1.264 -7.671 495 H LEU 62 H LEU 62 -0.445 -7.750 -7.734 496 HA LEU 62 HA LEU 62 1.983 -8.789 -6.980 497 HB2 LEU 62 HB2 LEU 62 -0.595 -9.454 -6.585 498 HB3 LEU 62 HB3 LEU 62 -0.157 -10.712 -7.724 499 HG LEU 62 HG LEU 62 0.130 -11.683 -5.615 500 HD11 LEU 62 HD11 LEU 62 2.036 -12.084 -7.086 501 HD12 LEU 62 HD12 LEU 62 2.519 -12.074 -5.390 502 HD13 LEU 62 HD13 LEU 62 2.857 -10.676 -6.410 503 HD21 LEU 62 HD21 LEU 62 1.769 -9.357 -4.659 504 HD22 LEU 62 HD22 LEU 62 1.062 -10.663 -3.713 505 HD23 LEU 62 HD23 LEU 62 0.023 -9.441 -4.438 506 H HIS 63 H HIS 63 0.054 -9.396 -9.846 507 HA HIS 63 HA HIS 63 1.719 -11.170 -11.131 508 HB2 HIS 63 HB2 HIS 63 -0.576 -10.649 -11.845 509 HB3 HIS 63 HB3 HIS 63 -0.061 -9.043 -12.341 510 HD1 HIS 63 HD1 HIS 63 -0.096 -12.592 -13.429 511 HD2 HIS 63 HD2 HIS 63 1.462 -8.969 -14.737 512 HE1 HIS 63 HE1 HIS 63 0.622 -12.988 -15.806 513 HE2 HIS 63 HE2 HIS 63 1.480 -10.758 -16.605 514 H ARG 64 H ARG 64 1.861 -7.677 -10.893 515 HA ARG 64 HA ARG 64 4.025 -7.440 -12.746 516 HB2 ARG 64 HB2 ARG 64 2.928 -5.465 -10.734 517 HB3 ARG 64 HB3 ARG 64 4.059 -5.083 -12.022 518 HG2 ARG 64 HG2 ARG 64 1.328 -6.221 -12.540 519 HG3 ARG 64 HG3 ARG 64 1.646 -4.490 -12.437 520 HD2 ARG 64 HD2 ARG 64 1.684 -5.118 -14.745 521 HD3 ARG 64 HD3 ARG 64 3.337 -4.762 -14.247 522 HE ARG 64 HE ARG 64 2.774 -7.530 -13.990 523 HH11 ARG 64 HH11 ARG 64 3.472 -5.063 -16.349 524 HH12 ARG 64 HH12 ARG 64 4.170 -6.167 -17.486 525 HH21 ARG 64 HH21 ARG 64 3.690 -8.991 -15.480 526 HH22 ARG 64 HH22 ARG 64 4.294 -8.400 -16.992 527 H ASN 65 H ASN 65 3.769 -8.382 -9.513 528 HA ASN 65 HA ASN 65 5.371 -9.147 -8.091 529 HB2 ASN 65 HB2 ASN 65 6.732 -9.370 -10.370 530 HB3 ASN 65 HB3 ASN 65 7.655 -8.051 -9.654 531 HD21 ASN 65 HD21 ASN 65 6.042 -10.541 -7.824 532 HD22 ASN 65 HD22 ASN 65 7.468 -11.305 -7.233 533 H LEU 66 H LEU 66 4.234 -6.389 -8.259 534 HA LEU 66 HA LEU 66 6.351 -4.757 -7.062 535 HB2 LEU 66 HB2 LEU 66 3.485 -3.930 -7.329 536 HB3 LEU 66 HB3 LEU 66 4.902 -2.916 -7.199 537 HG LEU 66 HG LEU 66 3.817 -4.330 -9.601 538 HD11 LEU 66 HD11 LEU 66 4.187 -2.154 -10.625 539 HD12 LEU 66 HD12 LEU 66 4.913 -1.565 -9.129 540 HD13 LEU 66 HD13 LEU 66 3.205 -2.008 -9.167 541 HD21 LEU 66 HD21 LEU 66 5.898 -3.927 -10.803 542 HD22 LEU 66 HD22 LEU 66 6.159 -5.048 -9.467 543 HD23 LEU 66 HD23 LEU 66 6.659 -3.365 -9.317 544 H VAL 67 H VAL 67 3.708 -6.745 -6.253 545 HA VAL 67 HA VAL 67 4.097 -6.127 -3.401 546 HB VAL 67 HB VAL 67 1.665 -6.849 -3.139 547 HG11 VAL 67 HG11 VAL 67 0.809 -4.636 -3.667 548 HG12 VAL 67 HG12 VAL 67 2.204 -4.324 -4.699 549 HG13 VAL 67 HG13 VAL 67 2.420 -4.514 -2.958 550 HG21 VAL 67 HG21 VAL 67 1.519 -6.197 -6.070 551 HG22 VAL 67 HG22 VAL 67 0.223 -6.776 -5.021 552 HG23 VAL 67 HG23 VAL 67 1.564 -7.841 -5.439 553 H LEU 68 H LEU 68 3.448 -7.970 -1.964 554 HA LEU 68 HA LEU 68 4.274 -10.512 -3.207 555 HB2 LEU 68 HB2 LEU 68 5.788 -9.555 -1.465 556 HB3 LEU 68 HB3 LEU 68 4.479 -9.710 -0.310 557 HG LEU 68 HG LEU 68 4.477 -12.171 -0.709 558 HD11 LEU 68 HD11 LEU 68 6.411 -13.173 -1.819 559 HD12 LEU 68 HD12 LEU 68 6.981 -11.566 -2.275 560 HD13 LEU 68 HD13 LEU 68 5.465 -12.183 -2.932 561 HD21 LEU 68 HD21 LEU 68 5.639 -11.208 1.201 562 HD22 LEU 68 HD22 LEU 68 7.087 -10.983 0.220 563 HD23 LEU 68 HD23 LEU 68 6.506 -12.611 0.576 564 H ARG 69 H ARG 69 3.100 -12.377 -2.798 565 HA ARG 69 HA ARG 69 0.473 -11.948 -1.538 566 HB2 ARG 69 HB2 ARG 69 -0.110 -12.284 -3.761 567 HB3 ARG 69 HB3 ARG 69 1.197 -13.418 -4.042 568 HG2 ARG 69 HG2 ARG 69 0.012 -15.089 -2.680 569 HG3 ARG 69 HG3 ARG 69 -1.311 -13.943 -2.465 570 HD2 ARG 69 HD2 ARG 69 -0.341 -15.071 -5.087 571 HD3 ARG 69 HD3 ARG 69 -1.812 -15.538 -4.235 572 HE ARG 69 HE ARG 69 -1.880 -12.774 -4.675 573 HH11 ARG 69 HH11 ARG 69 -2.006 -15.755 -6.474 574 HH12 ARG 69 HH12 ARG 69 -2.964 -15.091 -7.755 575 HH21 ARG 69 HH21 ARG 69 -3.141 -11.892 -6.356 576 HH22 ARG 69 HH22 ARG 69 -3.610 -12.896 -7.688 577 H THR 70 H THR 70 -0.257 -13.534 -0.133 578 HA THR 70 HA THR 70 1.490 -15.859 0.259 579 HB THR 70 HB THR 70 1.379 -15.667 2.597 580 HG1 THR 70 HG1 THR 70 -0.514 -15.028 3.301 581 HG21 THR 70 HG21 THR 70 2.242 -13.410 3.046 582 HG22 THR 70 HG22 THR 70 1.695 -12.898 1.450 583 HG23 THR 70 HG23 THR 70 2.955 -14.122 1.599 584 H HIS 71 H HIS 71 0.294 -17.082 2.239 585 HA HIS 71 HA HIS 71 -1.168 -19.065 1.433 586 HB2 HIS 71 HB2 HIS 71 -0.781 -17.691 3.854 587 HB3 HIS 71 HB3 HIS 71 -2.488 -18.080 3.781 588 HD1 HIS 71 HD1 HIS 71 -2.758 -20.836 2.976 589 HD2 HIS 71 HD2 HIS 71 0.607 -19.585 5.070 590 HE1 HIS 71 HE1 HIS 71 -1.786 -22.924 3.988 591 HE2 HIS 71 HE2 HIS 71 0.200 -22.132 5.325 592 H GLN 72 H GLN 72 -3.151 -16.408 2.807 593 HA GLN 72 HA GLN 72 -4.732 -15.190 1.204 594 HB2 GLN 72 HB2 GLN 72 -4.688 -17.071 -0.435 595 HB3 GLN 72 HB3 GLN 72 -5.582 -18.041 0.726 596 HG2 GLN 72 HG2 GLN 72 -7.127 -17.191 -0.862 597 HG3 GLN 72 HG3 GLN 72 -7.391 -16.335 0.657 598 HE21 GLN 72 HE21 GLN 72 -6.210 -16.101 -2.603 599 HE22 GLN 72 HE22 GLN 72 -6.145 -14.377 -2.673 600 HA PRO 73 HA PRO 73 -6.612 -13.581 1.842 601 HB2 PRO 73 HB2 PRO 73 -5.702 -12.672 4.545 602 HB3 PRO 73 HB3 PRO 73 -6.893 -11.947 3.457 603 HG2 PRO 73 HG2 PRO 73 -7.687 -13.364 5.556 604 HG3 PRO 73 HG3 PRO 73 -8.530 -13.502 4.002 605 HD2 PRO 73 HD2 PRO 73 -6.658 -15.405 5.318 606 HD3 PRO 73 HD3 PRO 73 -8.042 -15.731 4.257 607 H ALA 74 H ALA 74 -4.969 -13.041 0.541 608 HA ALA 74 HA ALA 74 -2.324 -13.973 1.019 609 HB1 ALA 74 HB1 ALA 74 -3.393 -12.103 -1.085 610 HB2 ALA 74 HB2 ALA 74 -3.263 -13.856 -1.226 611 HB3 ALA 74 HB3 ALA 74 -1.806 -12.872 -1.087 612 H ARG 75 H ARG 75 -1.244 -13.052 2.636 613 HA ARG 75 HA ARG 75 -1.424 -10.363 3.453 614 HB2 ARG 75 HB2 ARG 75 1.002 -12.171 3.650 615 HB3 ARG 75 HB3 ARG 75 0.638 -10.786 4.668 616 HG2 ARG 75 HG2 ARG 75 -0.961 -11.911 5.871 617 HG3 ARG 75 HG3 ARG 75 -1.299 -13.048 4.565 618 HD2 ARG 75 HD2 ARG 75 0.627 -14.319 5.021 619 HD3 ARG 75 HD3 ARG 75 1.339 -13.035 6.005 620 HE ARG 75 HE ARG 75 -1.044 -13.807 7.221 621 HH11 ARG 75 HH11 ARG 75 2.067 -15.183 6.467 622 HH12 ARG 75 HH12 ARG 75 2.056 -16.271 7.813 623 HH21 ARG 75 HH21 ARG 75 -1.068 -15.236 8.997 624 HH22 ARG 75 HH22 ARG 75 0.274 -16.303 9.252 625 H TYR 76 H TYR 76 -0.819 -8.589 2.290 626 HA TYR 76 HA TYR 76 1.083 -8.972 0.178 627 HB2 TYR 76 HB2 TYR 76 -0.812 -6.725 0.817 628 HB3 TYR 76 HB3 TYR 76 0.292 -6.702 -0.556 629 HD1 TYR 76 HD1 TYR 76 0.176 -8.923 -2.045 630 HD2 TYR 76 HD2 TYR 76 -2.971 -7.470 0.423 631 HE1 TYR 76 HE1 TYR 76 -1.446 -10.196 -3.384 632 HE2 TYR 76 HE2 TYR 76 -4.605 -8.739 -0.910 633 HH TYR 76 HH TYR 76 -4.791 -9.695 -3.174 634 H SER 77 H SER 77 2.980 -8.004 -0.127 635 HA SER 77 HA SER 77 3.948 -6.156 1.882 636 HB2 SER 77 HB2 SER 77 4.687 -8.314 2.779 637 HB3 SER 77 HB3 SER 77 5.429 -8.716 1.231 638 HG SER 77 HG SER 77 7.084 -7.896 2.339 639 H LEU 78 H LEU 78 5.065 -4.550 0.910 640 HA LEU 78 HA LEU 78 5.320 -4.269 -1.771 641 HB2 LEU 78 HB2 LEU 78 6.846 -3.073 0.502 642 HB3 LEU 78 HB3 LEU 78 7.308 -2.695 -1.143 643 HG LEU 78 HG LEU 78 4.694 -2.071 0.209 644 HD11 LEU 78 HD11 LEU 78 6.720 -0.271 -1.092 645 HD12 LEU 78 HD12 LEU 78 6.703 -0.642 0.631 646 HD13 LEU 78 HD13 LEU 78 5.338 0.198 -0.103 647 HD21 LEU 78 HD21 LEU 78 4.150 -2.739 -2.030 648 HD22 LEU 78 HD22 LEU 78 5.485 -1.790 -2.683 649 HD23 LEU 78 HD23 LEU 78 4.105 -0.979 -1.948 650 H THR 79 H THR 79 6.464 -5.438 -3.258 651 HA THR 79 HA THR 79 8.918 -6.684 -2.548 652 HB THR 79 HB THR 79 8.577 -6.662 -5.377 653 HG1 THR 79 HG1 THR 79 6.357 -7.563 -5.314 654 HG21 THR 79 HG21 THR 79 8.130 -9.039 -5.069 655 HG22 THR 79 HG22 THR 79 7.826 -8.776 -3.353 656 HG23 THR 79 HG23 THR 79 9.444 -8.530 -4.009 657 HA PRO 80 HA PRO 80 12.217 -4.009 -3.938 658 HB2 PRO 80 HB2 PRO 80 12.101 -5.185 -6.694 659 HB3 PRO 80 HB3 PRO 80 13.509 -4.779 -5.711 660 HG2 PRO 80 HG2 PRO 80 12.699 -7.293 -5.873 661 HG3 PRO 80 HG3 PRO 80 13.235 -6.628 -4.318 662 HD2 PRO 80 HD2 PRO 80 10.491 -7.263 -5.263 663 HD3 PRO 80 HD3 PRO 80 11.154 -7.293 -3.618 664 H GLU 81 H GLU 81 9.881 -4.388 -6.621 665 HA GLU 81 HA GLU 81 10.398 -1.753 -7.641 666 HB2 GLU 81 HB2 GLU 81 8.141 -3.677 -8.217 667 HB3 GLU 81 HB3 GLU 81 8.467 -2.197 -9.105 668 HG2 GLU 81 HG2 GLU 81 10.655 -3.101 -9.768 669 HG3 GLU 81 HG3 GLU 81 10.266 -4.600 -8.925 670 H GLY 82 H GLY 82 7.923 -3.230 -5.559 671 HA2 GLY 82 HA2 GLY 82 6.195 -0.918 -5.576 672 HA3 GLY 82 HA3 GLY 82 6.106 -2.273 -4.472 673 H LEU 83 H LEU 83 9.029 -1.958 -3.892 674 HA LEU 83 HA LEU 83 8.728 -0.290 -1.590 675 HB2 LEU 83 HB2 LEU 83 10.444 -2.328 -2.366 676 HB3 LEU 83 HB3 LEU 83 11.467 -0.909 -2.367 677 HG LEU 83 HG LEU 83 11.619 -2.038 -0.229 678 HD11 LEU 83 HD11 LEU 83 11.811 0.375 -0.183 679 HD12 LEU 83 HD12 LEU 83 10.988 -0.199 1.270 680 HD13 LEU 83 HD13 LEU 83 10.060 0.533 -0.039 681 HD21 LEU 83 HD21 LEU 83 8.649 -1.588 -0.006 682 HD22 LEU 83 HD22 LEU 83 9.697 -2.272 1.237 683 HD23 LEU 83 HD23 LEU 83 9.438 -3.143 -0.275 684 H GLU 84 H GLU 84 10.849 -0.106 -4.449 685 HA GLU 84 HA GLU 84 11.694 2.452 -4.099 686 HB2 GLU 84 HB2 GLU 84 11.121 1.144 -6.765 687 HB3 GLU 84 HB3 GLU 84 12.177 2.527 -6.508 688 HG2 GLU 84 HG2 GLU 84 13.639 1.133 -5.121 689 HG3 GLU 84 HG3 GLU 84 12.588 -0.245 -5.430 690 H LEU 85 H LEU 85 8.754 1.413 -5.750 691 HA LEU 85 HA LEU 85 8.084 3.973 -6.834 692 HB2 LEU 85 HB2 LEU 85 7.031 1.296 -6.845 693 HB3 LEU 85 HB3 LEU 85 5.765 2.430 -6.426 694 HG LEU 85 HG LEU 85 7.483 2.588 -8.904 695 HD11 LEU 85 HD11 LEU 85 5.972 0.681 -8.969 696 HD12 LEU 85 HD12 LEU 85 5.456 1.933 -10.098 697 HD13 LEU 85 HD13 LEU 85 4.613 1.731 -8.562 698 HD21 LEU 85 HD21 LEU 85 6.727 4.778 -8.123 699 HD22 LEU 85 HD22 LEU 85 5.065 4.190 -8.079 700 HD23 LEU 85 HD23 LEU 85 5.916 4.314 -9.618 701 H ALA 86 H ALA 86 7.311 2.125 -3.916 702 HA ALA 86 HA ALA 86 5.267 3.790 -2.907 703 HB1 ALA 86 HB1 ALA 86 7.262 2.127 -1.377 704 HB2 ALA 86 HB2 ALA 86 5.710 1.569 -2.003 705 HB3 ALA 86 HB3 ALA 86 5.762 2.797 -0.738 706 H GLN 87 H GLN 87 8.795 3.939 -2.607 707 HA GLN 87 HA GLN 87 8.912 5.981 -0.651 708 HB2 GLN 87 HB2 GLN 87 10.819 5.276 -2.894 709 HB3 GLN 87 HB3 GLN 87 11.178 6.443 -1.631 710 HG2 GLN 87 HG2 GLN 87 10.966 4.686 0.053 711 HG3 GLN 87 HG3 GLN 87 10.613 3.516 -1.218 712 HE21 GLN 87 HE21 GLN 87 12.260 2.852 -2.597 713 HE22 GLN 87 HE22 GLN 87 13.927 3.110 -2.228 714 H LYS 88 H LYS 88 8.729 5.997 -4.160 715 HA LYS 88 HA LYS 88 8.715 8.720 -4.527 716 HB2 LYS 88 HB2 LYS 88 7.195 6.776 -6.253 717 HB3 LYS 88 HB3 LYS 88 7.976 8.273 -6.735 718 HG2 LYS 88 HG2 LYS 88 10.160 7.304 -6.289 719 HG3 LYS 88 HG3 LYS 88 9.398 5.819 -5.739 720 HD2 LYS 88 HD2 LYS 88 8.391 5.568 -8.004 721 HD3 LYS 88 HD3 LYS 88 9.347 6.959 -8.525 722 HE2 LYS 88 HE2 LYS 88 10.492 4.426 -7.348 723 HE3 LYS 88 HE3 LYS 88 10.394 4.775 -9.075 724 HZ1 LYS 88 HZ1 LYS 88 11.899 6.368 -7.070 725 HZ2 LYS 88 HZ2 LYS 88 11.806 6.707 -8.724 726 HZ3 LYS 88 HZ3 LYS 88 12.577 5.298 -8.192 727 H LEU 89 H LEU 89 5.937 6.535 -4.151 728 HA LEU 89 HA LEU 89 3.904 8.454 -4.619 729 HB2 LEU 89 HB2 LEU 89 4.030 5.786 -3.247 730 HB3 LEU 89 HB3 LEU 89 2.570 6.754 -3.195 731 HG LEU 89 HG LEU 89 2.423 6.681 -5.637 732 HD11 LEU 89 HD11 LEU 89 4.795 4.840 -5.542 733 HD12 LEU 89 HD12 LEU 89 4.838 6.512 -6.098 734 HD13 LEU 89 HD13 LEU 89 3.879 5.317 -6.971 735 HD21 LEU 89 HD21 LEU 89 1.780 4.376 -5.858 736 HD22 LEU 89 HD22 LEU 89 1.363 4.930 -4.236 737 HD23 LEU 89 HD23 LEU 89 2.789 3.924 -4.484 738 H ALA 90 H ALA 90 5.833 7.497 -1.908 739 HA ALA 90 HA ALA 90 4.410 8.868 0.069 740 HB1 ALA 90 HB1 ALA 90 6.006 7.073 0.531 741 HB2 ALA 90 HB2 ALA 90 6.367 8.521 1.471 742 HB3 ALA 90 HB3 ALA 90 7.332 8.131 0.048 743 H GLU 91 H GLU 91 6.956 9.909 -2.072 744 HA GLU 91 HA GLU 91 7.793 12.241 -0.861 745 HB2 GLU 91 HB2 GLU 91 7.290 12.097 -3.827 746 HB3 GLU 91 HB3 GLU 91 8.529 13.017 -2.981 747 HG2 GLU 91 HG2 GLU 91 9.641 10.955 -2.344 748 HG3 GLU 91 HG3 GLU 91 8.378 10.031 -3.152 749 H SER 92 H SER 92 5.087 11.835 -3.093 750 HA SER 92 HA SER 92 4.097 14.377 -3.056 751 HB2 SER 92 HB2 SER 92 3.327 12.610 -4.570 752 HB3 SER 92 HB3 SER 92 2.524 11.800 -3.226 753 HG SER 92 HG SER 92 1.828 14.159 -4.560 754 H GLU 93 H GLU 93 3.872 11.997 -0.538 755 HA GLU 93 HA GLU 93 1.704 13.429 0.825 756 HB2 GLU 93 HB2 GLU 93 3.117 10.941 1.771 757 HB3 GLU 93 HB3 GLU 93 1.557 11.560 2.281 758 HG2 GLU 93 HG2 GLU 93 2.122 10.560 -0.491 759 HG3 GLU 93 HG3 GLU 93 1.483 9.554 0.808 760 H GLY 94 H GLY 94 5.036 13.400 0.568 761 HA2 GLY 94 HA2 GLY 94 6.463 14.942 1.680 762 HA3 GLY 94 HA3 GLY 94 5.246 15.111 2.945 763 H LEU 95 H LEU 95 5.341 11.964 2.135 764 HA LEU 95 HA LEU 95 6.088 10.064 3.099 765 HB2 LEU 95 HB2 LEU 95 8.330 11.502 2.423 766 HB3 LEU 95 HB3 LEU 95 8.613 11.129 4.114 767 HG LEU 95 HG LEU 95 8.311 9.237 1.803 768 HD11 LEU 95 HD11 LEU 95 10.375 9.536 3.976 769 HD12 LEU 95 HD12 LEU 95 10.541 10.052 2.298 770 HD13 LEU 95 HD13 LEU 95 10.406 8.337 2.683 771 HD21 LEU 95 HD21 LEU 95 6.831 8.352 3.486 772 HD22 LEU 95 HD22 LEU 95 8.064 8.564 4.732 773 HD23 LEU 95 HD23 LEU 95 8.307 7.384 3.443 774 H SER 96 H SER 96 4.521 11.815 4.666 775 HA SER 96 HA SER 96 5.718 11.764 7.345 776 HB2 SER 96 HB2 SER 96 3.190 13.093 6.332 777 HB3 SER 96 HB3 SER 96 3.753 13.140 8.004 778 HG SER 96 HG SER 96 4.508 14.658 5.915 779 H LEU 97 H LEU 97 5.153 9.281 6.272 780 HA LEU 97 HA LEU 97 2.502 8.519 7.278 781 HB2 LEU 97 HB2 LEU 97 4.367 6.949 5.499 782 HB3 LEU 97 HB3 LEU 97 2.783 6.429 6.038 783 HG LEU 97 HG LEU 97 1.915 8.547 4.827 784 HD11 LEU 97 HD11 LEU 97 3.288 9.207 2.894 785 HD12 LEU 97 HD12 LEU 97 4.610 8.217 3.513 786 HD13 LEU 97 HD13 LEU 97 4.052 9.615 4.430 787 HD21 LEU 97 HD21 LEU 97 1.753 7.310 2.726 788 HD22 LEU 97 HD22 LEU 97 1.451 6.267 4.117 789 HD23 LEU 97 HD23 LEU 97 3.004 6.199 3.283 790 H LEU 98 H LEU 98 5.578 6.764 6.947 791 HA LEU 98 HA LEU 98 5.710 5.172 8.931 792 HB2 LEU 98 HB2 LEU 98 7.890 7.199 8.449 793 HB3 LEU 98 HB3 LEU 98 8.098 5.752 9.417 794 HG LEU 98 HG LEU 98 7.318 5.703 6.505 795 HD11 LEU 98 HD11 LEU 98 9.533 6.725 6.806 796 HD12 LEU 98 HD12 LEU 98 9.628 5.146 6.029 797 HD13 LEU 98 HD13 LEU 98 10.043 5.316 7.734 798 HD21 LEU 98 HD21 LEU 98 8.328 3.572 8.383 799 HD22 LEU 98 HD22 LEU 98 8.008 3.358 6.663 800 HD23 LEU 98 HD23 LEU 98 6.683 3.722 7.767 801 H ASN 99 H ASN 99 6.939 8.411 9.764 802 HA ASN 99 HA ASN 99 6.021 7.963 12.514 803 HB2 ASN 99 HB2 ASN 99 7.999 9.978 11.428 804 HB3 ASN 99 HB3 ASN 99 7.570 9.786 13.125 805 HD21 ASN 99 HD21 ASN 99 9.254 8.416 10.416 806 HD22 ASN 99 HD22 ASN 99 10.159 7.247 11.310 807 H VAL 100 H VAL 100 4.644 9.357 13.541 808 HA VAL 100 HA VAL 100 3.661 11.678 12.037 809 HB VAL 100 HB VAL 100 1.337 11.146 12.661 810 HG11 VAL 100 HG11 VAL 100 2.715 8.985 11.072 811 HG12 VAL 100 HG12 VAL 100 2.151 10.536 10.450 812 HG13 VAL 100 HG13 VAL 100 0.990 9.344 11.034 813 HG21 VAL 100 HG21 VAL 100 1.772 9.758 14.613 814 HG22 VAL 100 HG22 VAL 100 2.487 8.515 13.588 815 HG23 VAL 100 HG23 VAL 100 0.770 8.893 13.448 816 H GLY 101 H GLY 101 2.955 13.401 13.284 817 HA2 GLY 101 HA2 GLY 101 2.743 13.108 16.177 818 HA3 GLY 101 HA3 GLY 101 4.082 14.082 15.588 819 H ILE 102 H ILE 102 0.640 13.884 16.016 820 HA ILE 102 HA ILE 102 0.226 16.527 14.848 821 HB ILE 102 HB ILE 102 -1.429 14.815 14.325 822 HG12 ILE 102 HG12 ILE 102 -3.474 16.043 15.031 823 HG13 ILE 102 HG13 ILE 102 -2.492 16.983 16.150 824 HG21 ILE 102 HG21 ILE 102 -1.944 14.727 17.293 825 HG22 ILE 102 HG22 ILE 102 -1.219 13.448 16.319 826 HG23 ILE 102 HG23 ILE 102 -2.902 13.905 16.060 827 HD11 ILE 102 HD11 ILE 102 -1.226 17.893 14.277 828 HD12 ILE 102 HD12 ILE 102 -2.951 18.222 14.114 829 HD13 ILE 102 HD13 ILE 102 -2.202 16.945 13.156 830 H GLY 103 H GLY 103 0.219 14.895 17.964 831 HA2 GLY 103 HA2 GLY 103 0.422 17.509 19.269 832 HA3 GLY 103 HA3 GLY 103 -0.913 16.464 19.733 Start of MODEL 13 1 H GLY 1 H GLY 1 13.638 2.191 -15.791 2 HA2 GLY 1 HA2 GLY 1 11.393 3.291 -17.393 3 HA3 GLY 1 HA3 GLY 1 11.618 1.598 -16.979 4 H SER 2 H SER 2 10.575 4.704 -15.883 5 HA SER 2 HA SER 2 9.989 3.642 -13.210 6 HB2 SER 2 HB2 SER 2 11.175 5.783 -13.249 7 HB3 SER 2 HB3 SER 2 9.900 6.488 -14.244 8 HG SER 2 HG SER 2 9.315 7.060 -12.246 9 H TYR 3 H TYR 3 8.030 2.859 -12.857 10 HA TYR 3 HA TYR 3 5.818 3.713 -14.584 11 HB2 TYR 3 HB2 TYR 3 6.268 1.293 -14.470 12 HB3 TYR 3 HB3 TYR 3 6.030 1.330 -12.727 13 HD1 TYR 3 HD1 TYR 3 4.345 1.654 -15.992 14 HD2 TYR 3 HD2 TYR 3 3.836 1.340 -11.780 15 HE1 TYR 3 HE1 TYR 3 1.943 1.245 -16.319 16 HE2 TYR 3 HE2 TYR 3 1.433 0.929 -12.094 17 HH TYR 3 HH TYR 3 0.071 0.214 -15.129 18 H TRP 4 H TRP 4 4.003 4.678 -13.793 19 HA TRP 4 HA TRP 4 3.974 5.252 -10.905 20 HB2 TRP 4 HB2 TRP 4 4.541 7.224 -12.431 21 HB3 TRP 4 HB3 TRP 4 2.876 7.128 -12.995 22 HD1 TRP 4 HD1 TRP 4 0.984 8.034 -11.385 23 HE1 TRP 4 HE1 TRP 4 1.042 9.386 -9.194 24 HE3 TRP 4 HE3 TRP 4 5.942 7.535 -10.260 25 HZ2 TRP 4 HZ2 TRP 4 2.945 10.139 -7.245 26 HZ3 TRP 4 HZ3 TRP 4 6.803 8.599 -8.216 27 HH2 TRP 4 HH2 TRP 4 5.337 9.873 -6.741 28 HA PRO 5 HA PRO 5 0.009 3.263 -11.036 29 HB2 PRO 5 HB2 PRO 5 -0.647 4.729 -8.578 30 HB3 PRO 5 HB3 PRO 5 -0.477 2.992 -8.835 31 HG2 PRO 5 HG2 PRO 5 1.331 4.409 -7.435 32 HG3 PRO 5 HG3 PRO 5 1.790 3.017 -8.433 33 HD2 PRO 5 HD2 PRO 5 2.043 5.941 -9.027 34 HD3 PRO 5 HD3 PRO 5 3.183 4.620 -9.359 35 H ALA 6 H ALA 6 -0.528 6.430 -9.480 36 HA ALA 6 HA ALA 6 -1.821 7.737 -11.422 37 HB1 ALA 6 HB1 ALA 6 -3.824 5.992 -9.993 38 HB2 ALA 6 HB2 ALA 6 -3.406 5.937 -11.705 39 HB3 ALA 6 HB3 ALA 6 -4.237 7.344 -11.044 40 H ARG 7 H ARG 7 -4.180 8.679 -9.978 41 HA ARG 7 HA ARG 7 -2.834 10.016 -7.727 42 HB2 ARG 7 HB2 ARG 7 -5.147 10.957 -9.432 43 HB3 ARG 7 HB3 ARG 7 -4.459 11.849 -8.082 44 HG2 ARG 7 HG2 ARG 7 -2.328 12.003 -9.262 45 HG3 ARG 7 HG3 ARG 7 -3.011 11.097 -10.615 46 HD2 ARG 7 HD2 ARG 7 -4.674 12.865 -10.950 47 HD3 ARG 7 HD3 ARG 7 -3.986 13.768 -9.602 48 HE ARG 7 HE ARG 7 -1.927 13.289 -11.401 49 HH11 ARG 7 HH11 ARG 7 -4.955 15.011 -11.324 50 HH12 ARG 7 HH12 ARG 7 -4.448 16.213 -12.464 51 HH21 ARG 7 HH21 ARG 7 -1.251 14.868 -12.900 52 HH22 ARG 7 HH22 ARG 7 -2.343 16.131 -13.360 53 H HIS 8 H HIS 8 -3.426 9.249 -5.808 54 HA HIS 8 HA HIS 8 -4.632 8.262 -4.134 55 HB2 HIS 8 HB2 HIS 8 -6.867 9.851 -5.417 56 HB3 HIS 8 HB3 HIS 8 -6.836 9.255 -3.761 57 HD1 HIS 8 HD1 HIS 8 -5.774 10.737 -2.043 58 HD2 HIS 8 HD2 HIS 8 -4.904 11.928 -5.928 59 HE1 HIS 8 HE1 HIS 8 -4.599 12.950 -1.822 60 HE2 HIS 8 HE2 HIS 8 -4.176 13.698 -4.190 61 H SER 9 H SER 9 -4.696 6.983 -6.936 62 HA SER 9 HA SER 9 -7.242 5.655 -7.079 63 HB2 SER 9 HB2 SER 9 -4.635 5.123 -8.517 64 HB3 SER 9 HB3 SER 9 -6.156 4.301 -8.864 65 HG SER 9 HG SER 9 -6.640 5.937 -10.070 66 H GLY 10 H GLY 10 -6.888 3.079 -7.470 67 HA2 GLY 10 HA2 GLY 10 -6.503 2.023 -4.896 68 HA3 GLY 10 HA3 GLY 10 -6.715 1.083 -6.363 69 H ALA 11 H ALA 11 -4.541 1.443 -7.826 70 HA ALA 11 HA ALA 11 -2.631 -0.196 -6.609 71 HB1 ALA 11 HB1 ALA 11 -2.895 -0.017 -9.024 72 HB2 ALA 11 HB2 ALA 11 -1.226 0.286 -8.539 73 HB3 ALA 11 HB3 ALA 11 -2.276 1.635 -8.975 74 H ARG 12 H ARG 12 -2.896 3.292 -6.714 75 HA ARG 12 HA ARG 12 -0.205 3.803 -5.839 76 HB2 ARG 12 HB2 ARG 12 -0.977 5.659 -6.908 77 HB3 ARG 12 HB3 ARG 12 -2.632 5.419 -6.387 78 HG2 ARG 12 HG2 ARG 12 -2.200 6.399 -4.280 79 HG3 ARG 12 HG3 ARG 12 -0.456 6.358 -4.539 80 HD2 ARG 12 HD2 ARG 12 -0.644 7.995 -6.308 81 HD3 ARG 12 HD3 ARG 12 -2.400 7.976 -6.175 82 HE ARG 12 HE ARG 12 -1.534 8.673 -3.682 83 HH11 ARG 12 HH11 ARG 12 -1.036 9.921 -6.897 84 HH12 ARG 12 HH12 ARG 12 -0.859 11.562 -6.373 85 HH21 ARG 12 HH21 ARG 12 -1.306 10.833 -2.983 86 HH22 ARG 12 HH22 ARG 12 -1.014 12.081 -4.148 87 H VAL 13 H VAL 13 -3.383 4.148 -4.320 88 HA VAL 13 HA VAL 13 -2.486 4.778 -1.790 89 HB VAL 13 HB VAL 13 -5.033 3.416 -2.654 90 HG11 VAL 13 HG11 VAL 13 -4.659 2.859 -0.337 91 HG12 VAL 13 HG12 VAL 13 -5.938 4.068 -0.453 92 HG13 VAL 13 HG13 VAL 13 -4.316 4.546 0.046 93 HG21 VAL 13 HG21 VAL 13 -4.464 6.263 -1.841 94 HG22 VAL 13 HG22 VAL 13 -6.016 5.618 -2.373 95 HG23 VAL 13 HG23 VAL 13 -4.659 5.695 -3.497 96 H ILE 14 H ILE 14 -2.863 1.602 -3.275 97 HA ILE 14 HA ILE 14 -2.660 0.167 -0.830 98 HB ILE 14 HB ILE 14 -2.391 -1.831 -2.173 99 HG12 ILE 14 HG12 ILE 14 -2.307 0.026 -4.556 100 HG13 ILE 14 HG13 ILE 14 -0.945 -0.902 -3.942 101 HG21 ILE 14 HG21 ILE 14 -4.506 0.073 -3.124 102 HG22 ILE 14 HG22 ILE 14 -4.623 -1.113 -1.827 103 HG23 ILE 14 HG23 ILE 14 -4.494 -1.650 -3.501 104 HD11 ILE 14 HD11 ILE 14 -3.490 -2.125 -4.973 105 HD12 ILE 14 HD12 ILE 14 -1.998 -2.960 -4.535 106 HD13 ILE 14 HD13 ILE 14 -2.030 -1.888 -5.933 107 H LEU 15 H LEU 15 -0.244 0.463 -3.493 108 HA LEU 15 HA LEU 15 1.785 -0.710 -2.112 109 HB2 LEU 15 HB2 LEU 15 2.151 1.566 -4.054 110 HB3 LEU 15 HB3 LEU 15 3.340 0.354 -3.634 111 HG LEU 15 HG LEU 15 0.722 -0.450 -4.855 112 HD11 LEU 15 HD11 LEU 15 3.200 0.430 -6.325 113 HD12 LEU 15 HD12 LEU 15 1.625 1.225 -6.347 114 HD13 LEU 15 HD13 LEU 15 1.813 -0.380 -7.052 115 HD21 LEU 15 HD21 LEU 15 3.481 -1.666 -4.860 116 HD22 LEU 15 HD22 LEU 15 2.048 -2.353 -5.624 117 HD23 LEU 15 HD23 LEU 15 2.119 -2.187 -3.870 118 H LEU 16 H LEU 16 0.584 2.508 -1.601 119 HA LEU 16 HA LEU 16 3.013 3.509 -0.378 120 HB2 LEU 16 HB2 LEU 16 1.583 5.030 -1.624 121 HB3 LEU 16 HB3 LEU 16 0.216 4.609 -0.611 122 HG LEU 16 HG LEU 16 1.409 5.565 1.327 123 HD11 LEU 16 HD11 LEU 16 3.689 5.313 0.488 124 HD12 LEU 16 HD12 LEU 16 3.356 6.986 0.936 125 HD13 LEU 16 HD13 LEU 16 3.364 6.512 -0.763 126 HD21 LEU 16 HD21 LEU 16 1.093 7.919 0.634 127 HD22 LEU 16 HD22 LEU 16 -0.244 6.868 0.166 128 HD23 LEU 16 HD23 LEU 16 0.942 7.371 -1.037 129 H VAL 17 H VAL 17 -0.255 2.505 0.519 130 HA VAL 17 HA VAL 17 0.092 2.770 3.262 131 HB VAL 17 HB VAL 17 -2.054 2.533 1.973 132 HG11 VAL 17 HG11 VAL 17 -1.675 0.569 0.717 133 HG12 VAL 17 HG12 VAL 17 -2.990 0.245 1.846 134 HG13 VAL 17 HG13 VAL 17 -1.372 -0.375 2.177 135 HG21 VAL 17 HG21 VAL 17 -1.705 0.884 4.464 136 HG22 VAL 17 HG22 VAL 17 -3.247 1.465 3.839 137 HG23 VAL 17 HG23 VAL 17 -2.029 2.616 4.392 138 H LEU 18 H LEU 18 0.575 -0.076 1.174 139 HA LEU 18 HA LEU 18 1.311 -1.863 3.184 140 HB2 LEU 18 HB2 LEU 18 1.899 -1.645 0.256 141 HB3 LEU 18 HB3 LEU 18 2.778 -2.830 1.202 142 HG LEU 18 HG LEU 18 0.721 -3.609 -0.048 143 HD11 LEU 18 HD11 LEU 18 0.930 -4.114 2.914 144 HD12 LEU 18 HD12 LEU 18 1.826 -4.950 1.645 145 HD13 LEU 18 HD13 LEU 18 0.076 -5.138 1.759 146 HD21 LEU 18 HD21 LEU 18 -0.785 -1.798 0.529 147 HD22 LEU 18 HD22 LEU 18 -0.664 -2.219 2.234 148 HD23 LEU 18 HD23 LEU 18 -1.417 -3.338 1.098 149 H TYR 19 H TYR 19 2.900 0.804 1.787 150 HA TYR 19 HA TYR 19 5.631 0.088 2.110 151 HB2 TYR 19 HB2 TYR 19 4.921 1.939 0.675 152 HB3 TYR 19 HB3 TYR 19 4.320 2.806 2.078 153 HD1 TYR 19 HD1 TYR 19 7.401 1.531 0.468 154 HD2 TYR 19 HD2 TYR 19 5.746 4.151 3.382 155 HE1 TYR 19 HE1 TYR 19 9.595 2.609 0.734 156 HE2 TYR 19 HE2 TYR 19 7.935 5.235 3.658 157 HH TYR 19 HH TYR 19 10.305 4.720 3.300 158 H ARG 20 H ARG 20 3.613 2.285 4.098 159 HA ARG 20 HA ARG 20 5.376 2.636 6.143 160 HB2 ARG 20 HB2 ARG 20 3.343 3.906 6.019 161 HB3 ARG 20 HB3 ARG 20 2.362 2.465 6.237 162 HG2 ARG 20 HG2 ARG 20 4.288 3.078 8.378 163 HG3 ARG 20 HG3 ARG 20 2.919 4.177 8.206 164 HD2 ARG 20 HD2 ARG 20 1.390 2.260 8.344 165 HD3 ARG 20 HD3 ARG 20 2.772 1.182 8.542 166 HE ARG 20 HE ARG 20 2.916 3.143 10.522 167 HH11 ARG 20 HH11 ARG 20 0.871 0.476 9.605 168 HH12 ARG 20 HH12 ARG 20 0.357 0.147 11.226 169 HH21 ARG 20 HH21 ARG 20 2.246 2.716 12.658 170 HH22 ARG 20 HH22 ARG 20 1.139 1.420 12.961 171 H GLU 21 H GLU 21 2.989 -0.048 5.963 172 HA GLU 21 HA GLU 21 3.633 -1.065 8.559 173 HB2 GLU 21 HB2 GLU 21 1.479 -1.530 7.417 174 HB3 GLU 21 HB3 GLU 21 2.351 -2.479 6.217 175 HG2 GLU 21 HG2 GLU 21 1.350 -3.931 7.861 176 HG3 GLU 21 HG3 GLU 21 3.104 -4.000 7.979 177 H HIS 22 H HIS 22 5.131 -1.189 5.490 178 HA HIS 22 HA HIS 22 6.392 -3.791 5.876 179 HB2 HIS 22 HB2 HIS 22 5.877 -3.224 3.598 180 HB3 HIS 22 HB3 HIS 22 6.720 -1.685 3.733 181 HD1 HIS 22 HD1 HIS 22 7.235 -5.250 2.965 182 HD2 HIS 22 HD2 HIS 22 9.584 -1.933 3.830 183 HE1 HIS 22 HE1 HIS 22 9.569 -5.877 2.268 184 HE2 HIS 22 HE2 HIS 22 10.987 -3.891 2.889 185 H LEU 23 H LEU 23 7.237 -0.346 5.839 186 HA LEU 23 HA LEU 23 9.882 -0.596 6.537 187 HB2 LEU 23 HB2 LEU 23 7.846 1.551 6.911 188 HB3 LEU 23 HB3 LEU 23 9.411 1.730 7.683 189 HG LEU 23 HG LEU 23 10.464 1.422 5.444 190 HD11 LEU 23 HD11 LEU 23 7.692 1.839 4.371 191 HD12 LEU 23 HD12 LEU 23 8.513 0.280 4.409 192 HD13 LEU 23 HD13 LEU 23 9.177 1.602 3.451 193 HD21 LEU 23 HD21 LEU 23 9.980 3.692 4.680 194 HD22 LEU 23 HD22 LEU 23 10.187 3.626 6.430 195 HD23 LEU 23 HD23 LEU 23 8.570 3.741 5.737 196 H ASN 24 H ASN 24 7.275 -1.515 8.370 197 HA ASN 24 HA ASN 24 7.939 -0.796 10.974 198 HB2 ASN 24 HB2 ASN 24 6.378 -3.029 9.766 199 HB3 ASN 24 HB3 ASN 24 6.832 -3.156 11.463 200 HD21 ASN 24 HD21 ASN 24 5.920 -1.809 12.958 201 HD22 ASN 24 HD22 ASN 24 4.590 -0.770 12.601 202 HA PRO 25 HA PRO 25 11.935 -2.891 11.256 203 HB2 PRO 25 HB2 PRO 25 11.617 -1.982 14.064 204 HB3 PRO 25 HB3 PRO 25 12.973 -1.763 12.957 205 HG2 PRO 25 HG2 PRO 25 11.345 0.264 13.546 206 HG3 PRO 25 HG3 PRO 25 11.996 0.057 11.909 207 HD2 PRO 25 HD2 PRO 25 9.264 -0.555 12.954 208 HD3 PRO 25 HD3 PRO 25 9.751 0.099 11.380 209 H ASN 26 H ASN 26 9.310 -3.193 13.628 210 HA ASN 26 HA ASN 26 10.244 -5.912 14.170 211 HB2 ASN 26 HB2 ASN 26 10.589 -4.552 16.187 212 HB3 ASN 26 HB3 ASN 26 8.894 -4.076 16.158 213 HD21 ASN 26 HD21 ASN 26 7.321 -5.553 16.755 214 HD22 ASN 26 HD22 ASN 26 7.697 -7.015 17.593 215 H GLY 27 H GLY 27 7.934 -3.994 12.846 216 HA2 GLY 27 HA2 GLY 27 5.574 -5.517 13.605 217 HA3 GLY 27 HA3 GLY 27 5.635 -4.192 12.448 218 H HIS 28 H HIS 28 4.212 -5.773 11.275 219 HA HIS 28 HA HIS 28 5.657 -8.009 10.053 220 HB2 HIS 28 HB2 HIS 28 2.741 -7.217 9.864 221 HB3 HIS 28 HB3 HIS 28 3.459 -8.633 9.104 222 HD1 HIS 28 HD1 HIS 28 3.725 -10.701 10.522 223 HD2 HIS 28 HD2 HIS 28 2.610 -7.362 12.728 224 HE1 HIS 28 HE1 HIS 28 3.159 -11.568 12.813 225 HE2 HIS 28 HE2 HIS 28 2.573 -9.519 14.156 226 H HIS 29 H HIS 29 6.309 -7.985 7.970 227 HA HIS 29 HA HIS 29 6.257 -5.478 6.555 228 HB2 HIS 29 HB2 HIS 29 7.333 -8.174 5.694 229 HB3 HIS 29 HB3 HIS 29 7.652 -6.637 4.900 230 HD1 HIS 29 HD1 HIS 29 8.562 -8.645 7.920 231 HD2 HIS 29 HD2 HIS 29 9.556 -5.018 6.155 232 HE1 HIS 29 HE1 HIS 29 10.623 -7.854 9.124 233 HE2 HIS 29 HE2 HIS 29 11.259 -5.703 7.977 234 H PHE 30 H PHE 30 3.677 -6.630 6.960 235 HA PHE 30 HA PHE 30 2.667 -6.480 4.281 236 HB2 PHE 30 HB2 PHE 30 1.582 -8.724 4.306 237 HB3 PHE 30 HB3 PHE 30 3.334 -8.801 4.198 238 HD1 PHE 30 HD1 PHE 30 0.461 -9.195 6.483 239 HD2 PHE 30 HD2 PHE 30 4.609 -9.907 5.851 240 HE1 PHE 30 HE1 PHE 30 0.500 -10.684 8.440 241 HE2 PHE 30 HE2 PHE 30 4.654 -11.398 7.808 242 HZ PHE 30 HZ PHE 30 2.596 -11.787 9.105 243 H LEU 31 H LEU 31 0.236 -6.922 4.265 244 HA LEU 31 HA LEU 31 -1.075 -6.683 6.872 245 HB2 LEU 31 HB2 LEU 31 -1.178 -4.790 4.545 246 HB3 LEU 31 HB3 LEU 31 -2.509 -4.898 5.677 247 HG LEU 31 HG LEU 31 0.323 -4.216 6.448 248 HD11 LEU 31 HD11 LEU 31 -0.626 -2.486 5.021 249 HD12 LEU 31 HD12 LEU 31 -0.488 -1.925 6.687 250 HD13 LEU 31 HD13 LEU 31 -2.058 -2.411 6.046 251 HD21 LEU 31 HD21 LEU 31 -0.695 -3.517 8.561 252 HD22 LEU 31 HD22 LEU 31 -0.973 -5.229 8.247 253 HD23 LEU 31 HD23 LEU 31 -2.269 -4.062 7.983 254 H THR 32 H THR 32 -3.210 -7.395 6.938 255 HA THR 32 HA THR 32 -3.970 -9.201 4.798 256 HB THR 32 HB THR 32 -5.813 -9.879 6.277 257 HG1 THR 32 HG1 THR 32 -6.030 -8.898 8.309 258 HG21 THR 32 HG21 THR 32 -3.153 -9.695 7.699 259 HG22 THR 32 HG22 THR 32 -3.640 -10.954 6.564 260 HG23 THR 32 HG23 THR 32 -4.465 -10.799 8.115 261 H LYS 33 H LYS 33 -6.322 -9.172 4.061 262 HA LYS 33 HA LYS 33 -6.802 -6.785 2.672 263 HB2 LYS 33 HB2 LYS 33 -7.727 -9.242 2.360 264 HB3 LYS 33 HB3 LYS 33 -9.067 -8.620 3.309 265 HG2 LYS 33 HG2 LYS 33 -8.083 -7.242 0.829 266 HG3 LYS 33 HG3 LYS 33 -9.295 -8.521 0.787 267 HD2 LYS 33 HD2 LYS 33 -10.760 -7.217 2.217 268 HD3 LYS 33 HD3 LYS 33 -9.532 -5.959 2.363 269 HE2 LYS 33 HE2 LYS 33 -9.730 -5.375 0.069 270 HE3 LYS 33 HE3 LYS 33 -10.698 -6.808 -0.279 271 HZ1 LYS 33 HZ1 LYS 33 -11.548 -4.554 1.460 272 HZ2 LYS 33 HZ2 LYS 33 -12.481 -5.904 1.051 273 HZ3 LYS 33 HZ3 LYS 33 -12.042 -4.790 -0.142 274 H GLU 34 H GLU 34 -8.291 -8.040 5.648 275 HA GLU 34 HA GLU 34 -9.983 -5.870 6.049 276 HB2 GLU 34 HB2 GLU 34 -10.161 -6.668 8.373 277 HB3 GLU 34 HB3 GLU 34 -10.285 -7.982 7.213 278 HG2 GLU 34 HG2 GLU 34 -7.958 -8.581 7.639 279 HG3 GLU 34 HG3 GLU 34 -7.834 -7.263 8.803 280 H GLU 35 H GLU 35 -6.589 -6.226 6.817 281 HA GLU 35 HA GLU 35 -6.576 -4.043 8.744 282 HB2 GLU 35 HB2 GLU 35 -4.354 -5.700 7.542 283 HB3 GLU 35 HB3 GLU 35 -4.087 -4.368 8.659 284 HG2 GLU 35 HG2 GLU 35 -5.374 -5.533 10.369 285 HG3 GLU 35 HG3 GLU 35 -5.663 -6.864 9.251 286 H LEU 36 H LEU 36 -6.169 -4.629 5.376 287 HA LEU 36 HA LEU 36 -4.574 -2.382 4.702 288 HB2 LEU 36 HB2 LEU 36 -6.511 -4.031 3.091 289 HB3 LEU 36 HB3 LEU 36 -5.467 -2.800 2.421 290 HG LEU 36 HG LEU 36 -4.427 -5.182 3.901 291 HD11 LEU 36 HD11 LEU 36 -4.117 -6.346 1.908 292 HD12 LEU 36 HD12 LEU 36 -4.408 -4.916 0.922 293 HD13 LEU 36 HD13 LEU 36 -5.748 -5.691 1.764 294 HD21 LEU 36 HD21 LEU 36 -3.110 -3.204 2.063 295 HD22 LEU 36 HD22 LEU 36 -2.327 -4.603 2.795 296 HD23 LEU 36 HD23 LEU 36 -2.917 -3.291 3.815 297 H LEU 37 H LEU 37 -8.065 -2.967 4.439 298 HA LEU 37 HA LEU 37 -8.855 -0.515 3.449 299 HB2 LEU 37 HB2 LEU 37 -10.180 -2.571 5.154 300 HB3 LEU 37 HB3 LEU 37 -10.983 -1.030 4.930 301 HG LEU 37 HG LEU 37 -11.796 -2.720 3.352 302 HD11 LEU 37 HD11 LEU 37 -11.550 -1.414 1.305 303 HD12 LEU 37 HD12 LEU 37 -10.215 -0.519 2.030 304 HD13 LEU 37 HD13 LEU 37 -11.841 -0.373 2.698 305 HD21 LEU 37 HD21 LEU 37 -8.942 -2.756 2.379 306 HD22 LEU 37 HD22 LEU 37 -10.306 -3.490 1.537 307 HD23 LEU 37 HD23 LEU 37 -9.826 -4.088 3.124 308 H GLN 38 H GLN 38 -8.118 -1.410 6.772 309 HA GLN 38 HA GLN 38 -9.068 1.090 7.879 310 HB2 GLN 38 HB2 GLN 38 -7.381 -1.099 9.107 311 HB3 GLN 38 HB3 GLN 38 -8.044 0.277 9.978 312 HG2 GLN 38 HG2 GLN 38 -10.310 -0.486 9.444 313 HG3 GLN 38 HG3 GLN 38 -9.631 -1.878 8.601 314 HE21 GLN 38 HE21 GLN 38 -10.209 -0.391 11.686 315 HE22 GLN 38 HE22 GLN 38 -9.872 -1.784 12.651 316 H ARG 39 H ARG 39 -5.946 -0.413 7.152 317 HA ARG 39 HA ARG 39 -4.279 1.591 7.948 318 HB2 ARG 39 HB2 ARG 39 -3.866 -0.793 6.953 319 HB3 ARG 39 HB3 ARG 39 -3.712 0.076 5.434 320 HG2 ARG 39 HG2 ARG 39 -1.544 -0.026 6.146 321 HG3 ARG 39 HG3 ARG 39 -2.050 1.554 6.749 322 HD2 ARG 39 HD2 ARG 39 -2.086 -0.987 8.362 323 HD3 ARG 39 HD3 ARG 39 -0.791 0.199 8.399 324 HE ARG 39 HE ARG 39 -3.050 1.629 8.959 325 HH11 ARG 39 HH11 ARG 39 -1.478 -1.157 10.339 326 HH12 ARG 39 HH12 ARG 39 -2.037 -0.837 11.947 327 HH21 ARG 39 HH21 ARG 39 -3.793 2.057 11.072 328 HH22 ARG 39 HH22 ARG 39 -3.354 0.989 12.363 329 H CYS 40 H CYS 40 -5.640 1.142 4.723 330 HA CYS 40 HA CYS 40 -4.417 3.407 3.525 331 HB2 CYS 40 HB2 CYS 40 -5.975 3.044 1.687 332 HB3 CYS 40 HB3 CYS 40 -5.287 1.511 2.208 333 HG CYS 40 HG CYS 40 -8.457 2.473 2.099 334 H ALA 41 H ALA 41 -7.399 2.856 5.275 335 HA ALA 41 HA ALA 41 -8.834 5.106 4.696 336 HB1 ALA 41 HB1 ALA 41 -9.648 3.306 6.137 337 HB2 ALA 41 HB2 ALA 41 -9.881 4.889 6.881 338 HB3 ALA 41 HB3 ALA 41 -8.566 3.847 7.422 339 H GLN 42 H GLN 42 -5.696 5.303 5.764 340 HA GLN 42 HA GLN 42 -6.196 7.690 7.346 341 HB2 GLN 42 HB2 GLN 42 -3.830 5.814 7.590 342 HB3 GLN 42 HB3 GLN 42 -3.954 7.386 8.370 343 HG2 GLN 42 HG2 GLN 42 -5.898 6.603 9.631 344 HG3 GLN 42 HG3 GLN 42 -5.755 5.023 8.861 345 HE21 GLN 42 HE21 GLN 42 -4.387 7.227 11.170 346 HE22 GLN 42 HE22 GLN 42 -3.330 6.093 11.933 347 H LYS 43 H LYS 43 -4.575 5.945 4.839 348 HA LYS 43 HA LYS 43 -2.719 7.807 3.923 349 HB2 LYS 43 HB2 LYS 43 -2.929 5.432 3.182 350 HB3 LYS 43 HB3 LYS 43 -4.349 5.887 2.254 351 HG2 LYS 43 HG2 LYS 43 -1.776 7.313 1.778 352 HG3 LYS 43 HG3 LYS 43 -2.019 5.699 1.108 353 HD2 LYS 43 HD2 LYS 43 -4.019 6.444 -0.036 354 HD3 LYS 43 HD3 LYS 43 -3.858 8.046 0.690 355 HE2 LYS 43 HE2 LYS 43 -1.661 8.272 -0.455 356 HE3 LYS 43 HE3 LYS 43 -1.975 6.739 -1.266 357 HZ1 LYS 43 HZ1 LYS 43 -3.647 9.184 -1.493 358 HZ2 LYS 43 HZ2 LYS 43 -3.939 7.716 -2.278 359 HZ3 LYS 43 HZ3 LYS 43 -2.563 8.620 -2.663 360 H SER 44 H SER 44 -3.219 9.877 3.678 361 HA SER 44 HA SER 44 -4.231 11.785 2.974 362 HB2 SER 44 HB2 SER 44 -5.038 10.000 0.664 363 HB3 SER 44 HB3 SER 44 -5.103 11.762 0.659 364 HG SER 44 HG SER 44 -3.187 11.019 -0.303 365 HA PRO 45 HA PRO 45 -8.295 10.409 4.802 366 HB2 PRO 45 HB2 PRO 45 -7.919 13.043 6.117 367 HB3 PRO 45 HB3 PRO 45 -8.390 11.492 6.819 368 HG2 PRO 45 HG2 PRO 45 -5.945 12.485 7.211 369 HG3 PRO 45 HG3 PRO 45 -6.201 10.745 6.973 370 HD2 PRO 45 HD2 PRO 45 -5.176 12.793 5.049 371 HD3 PRO 45 HD3 PRO 45 -4.657 11.112 5.290 372 H ARG 46 H ARG 46 -7.159 13.355 3.297 373 HA ARG 46 HA ARG 46 -9.495 14.650 2.845 374 HB2 ARG 46 HB2 ARG 46 -7.194 14.443 0.896 375 HB3 ARG 46 HB3 ARG 46 -8.423 15.701 0.902 376 HG2 ARG 46 HG2 ARG 46 -7.665 16.380 3.153 377 HG3 ARG 46 HG3 ARG 46 -6.378 15.177 3.048 378 HD2 ARG 46 HD2 ARG 46 -5.541 17.382 2.458 379 HD3 ARG 46 HD3 ARG 46 -5.492 16.304 1.064 380 HE ARG 46 HE ARG 46 -7.883 17.589 0.833 381 HH11 ARG 46 HH11 ARG 46 -4.570 18.622 1.150 382 HH12 ARG 46 HH12 ARG 46 -4.803 20.081 0.247 383 HH21 ARG 46 HH21 ARG 46 -8.199 19.507 -0.357 384 HH22 ARG 46 HH22 ARG 46 -6.866 20.585 -0.610 385 H VAL 47 H VAL 47 -8.773 11.584 1.676 386 HA VAL 47 HA VAL 47 -9.883 11.460 -0.846 387 HB VAL 47 HB VAL 47 -10.557 9.107 -0.275 388 HG11 VAL 47 HG11 VAL 47 -8.387 9.433 -1.176 389 HG12 VAL 47 HG12 VAL 47 -8.198 8.351 0.205 390 HG13 VAL 47 HG13 VAL 47 -7.769 10.054 0.354 391 HG21 VAL 47 HG21 VAL 47 -11.121 9.452 2.068 392 HG22 VAL 47 HG22 VAL 47 -9.440 9.840 2.430 393 HG23 VAL 47 HG23 VAL 47 -9.875 8.214 1.905 394 H ALA 48 H ALA 48 -11.986 10.910 -1.618 395 HA ALA 48 HA ALA 48 -14.051 12.491 -0.555 396 HB1 ALA 48 HB1 ALA 48 -14.254 10.156 -2.453 397 HB2 ALA 48 HB2 ALA 48 -13.961 11.835 -2.904 398 HB3 ALA 48 HB3 ALA 48 -15.498 11.375 -2.173 399 HA PRO 49 HA PRO 49 -15.572 9.985 2.774 400 HB2 PRO 49 HB2 PRO 49 -18.205 11.205 2.229 401 HB3 PRO 49 HB3 PRO 49 -17.216 11.272 3.691 402 HG2 PRO 49 HG2 PRO 49 -17.496 13.407 2.100 403 HG3 PRO 49 HG3 PRO 49 -15.964 13.057 2.922 404 HD2 PRO 49 HD2 PRO 49 -16.738 12.578 0.069 405 HD3 PRO 49 HD3 PRO 49 -15.203 13.178 0.735 406 H GLY 50 H GLY 50 -16.508 8.021 2.985 407 HA2 GLY 50 HA2 GLY 50 -17.554 6.067 2.394 408 HA3 GLY 50 HA3 GLY 50 -18.748 7.086 1.606 409 H SER 51 H SER 51 -15.465 7.321 0.567 410 HA SER 51 HA SER 51 -16.208 5.948 -1.927 411 HB2 SER 51 HB2 SER 51 -14.125 8.087 -1.431 412 HB3 SER 51 HB3 SER 51 -14.389 7.284 -2.978 413 HG SER 51 HG SER 51 -16.595 8.443 -1.725 414 H ALA 52 H ALA 52 -15.535 3.902 -1.811 415 HA ALA 52 HA ALA 52 -12.776 3.404 -0.904 416 HB1 ALA 52 HB1 ALA 52 -15.120 1.506 -0.815 417 HB2 ALA 52 HB2 ALA 52 -14.448 2.380 0.562 418 HB3 ALA 52 HB3 ALA 52 -13.479 1.160 -0.266 419 HA PRO 53 HA PRO 53 -12.622 2.685 -5.457 420 HB2 PRO 53 HB2 PRO 53 -9.762 2.500 -4.633 421 HB3 PRO 53 HB3 PRO 53 -10.484 3.348 -6.006 422 HG2 PRO 53 HG2 PRO 53 -9.667 4.697 -3.865 423 HG3 PRO 53 HG3 PRO 53 -11.161 5.149 -4.707 424 HD2 PRO 53 HD2 PRO 53 -10.804 3.701 -2.122 425 HD3 PRO 53 HD3 PRO 53 -12.055 4.865 -2.602 426 HA PRO 54 HA PRO 54 -12.460 -1.734 -5.411 427 HB2 PRO 54 HB2 PRO 54 -11.002 -1.553 -7.989 428 HB3 PRO 54 HB3 PRO 54 -12.515 -2.380 -7.606 429 HG2 PRO 54 HG2 PRO 54 -12.511 -0.118 -9.017 430 HG3 PRO 54 HG3 PRO 54 -13.781 -0.455 -7.827 431 HD2 PRO 54 HD2 PRO 54 -11.411 1.353 -7.609 432 HD3 PRO 54 HD3 PRO 54 -13.066 1.582 -7.008 433 H TRP 55 H TRP 55 -11.094 -2.834 -4.152 434 HA TRP 55 HA TRP 55 -8.255 -2.347 -4.354 435 HB2 TRP 55 HB2 TRP 55 -10.042 -3.515 -2.316 436 HB3 TRP 55 HB3 TRP 55 -8.405 -4.171 -2.379 437 HD1 TRP 55 HD1 TRP 55 -9.964 -0.620 -2.427 438 HE1 TRP 55 HE1 TRP 55 -8.495 0.919 -0.983 439 HE3 TRP 55 HE3 TRP 55 -6.410 -4.009 -0.966 440 HZ2 TRP 55 HZ2 TRP 55 -6.144 0.721 0.559 441 HZ3 TRP 55 HZ3 TRP 55 -4.607 -3.237 0.499 442 HH2 TRP 55 HH2 TRP 55 -4.480 -0.930 1.252 443 HA PRO 56 HA PRO 56 -8.858 -7.129 -5.643 444 HB2 PRO 56 HB2 PRO 56 -10.275 -6.197 -8.101 445 HB3 PRO 56 HB3 PRO 56 -10.435 -7.723 -7.222 446 HG2 PRO 56 HG2 PRO 56 -12.289 -5.833 -6.990 447 HG3 PRO 56 HG3 PRO 56 -11.787 -6.789 -5.584 448 HD2 PRO 56 HD2 PRO 56 -11.113 -3.975 -6.304 449 HD3 PRO 56 HD3 PRO 56 -11.368 -4.704 -4.705 450 H ALA 57 H ALA 57 -8.207 -4.078 -7.093 451 HA ALA 57 HA ALA 57 -6.688 -4.704 -9.298 452 HB1 ALA 57 HB1 ALA 57 -6.148 -2.489 -7.324 453 HB2 ALA 57 HB2 ALA 57 -7.304 -2.419 -8.653 454 HB3 ALA 57 HB3 ALA 57 -5.580 -2.560 -8.992 455 H LEU 58 H LEU 58 -6.014 -5.357 -6.017 456 HA LEU 58 HA LEU 58 -3.217 -5.290 -5.919 457 HB2 LEU 58 HB2 LEU 58 -5.364 -6.708 -4.446 458 HB3 LEU 58 HB3 LEU 58 -3.743 -7.362 -4.307 459 HG LEU 58 HG LEU 58 -4.485 -4.509 -3.661 460 HD11 LEU 58 HD11 LEU 58 -5.545 -6.072 -2.116 461 HD12 LEU 58 HD12 LEU 58 -4.241 -5.183 -1.327 462 HD13 LEU 58 HD13 LEU 58 -3.989 -6.851 -1.838 463 HD21 LEU 58 HD21 LEU 58 -2.162 -4.818 -4.354 464 HD22 LEU 58 HD22 LEU 58 -1.974 -6.099 -3.158 465 HD23 LEU 58 HD23 LEU 58 -2.272 -4.442 -2.634 466 H ARG 59 H ARG 59 -5.457 -7.721 -7.115 467 HA ARG 59 HA ARG 59 -3.564 -9.724 -7.618 468 HB2 ARG 59 HB2 ARG 59 -6.167 -9.188 -9.065 469 HB3 ARG 59 HB3 ARG 59 -5.275 -10.705 -9.076 470 HG2 ARG 59 HG2 ARG 59 -5.693 -11.055 -6.754 471 HG3 ARG 59 HG3 ARG 59 -6.382 -9.438 -6.581 472 HD2 ARG 59 HD2 ARG 59 -8.206 -10.070 -8.098 473 HD3 ARG 59 HD3 ARG 59 -7.517 -11.686 -8.248 474 HE ARG 59 HE ARG 59 -7.956 -11.098 -5.529 475 HH11 ARG 59 HH11 ARG 59 -9.706 -11.813 -8.456 476 HH12 ARG 59 HH12 ARG 59 -11.056 -12.517 -7.630 477 HH21 ARG 59 HH21 ARG 59 -9.729 -12.024 -4.433 478 HH22 ARG 59 HH22 ARG 59 -11.069 -12.637 -5.344 479 H SER 60 H SER 60 -4.608 -6.944 -9.475 480 HA SER 60 HA SER 60 -3.263 -7.603 -11.850 481 HB2 SER 60 HB2 SER 60 -5.046 -5.912 -11.767 482 HB3 SER 60 HB3 SER 60 -4.020 -4.870 -10.781 483 HG SER 60 HG SER 60 -2.777 -5.667 -13.064 484 H LEU 61 H LEU 61 -2.273 -5.807 -8.979 485 HA LEU 61 HA LEU 61 0.262 -5.031 -10.082 486 HB2 LEU 61 HB2 LEU 61 -0.934 -4.904 -7.328 487 HB3 LEU 61 HB3 LEU 61 0.756 -4.516 -7.609 488 HG LEU 61 HG LEU 61 -0.243 -2.899 -9.428 489 HD11 LEU 61 HD11 LEU 61 -2.377 -1.943 -8.739 490 HD12 LEU 61 HD12 LEU 61 -2.526 -3.171 -7.482 491 HD13 LEU 61 HD13 LEU 61 -2.546 -3.641 -9.182 492 HD21 LEU 61 HD21 LEU 61 1.097 -2.204 -7.544 493 HD22 LEU 61 HD22 LEU 61 -0.293 -2.353 -6.468 494 HD23 LEU 61 HD23 LEU 61 -0.285 -1.124 -7.733 495 H LEU 62 H LEU 62 -0.976 -7.662 -8.150 496 HA LEU 62 HA LEU 62 1.479 -8.743 -7.229 497 HB2 LEU 62 HB2 LEU 62 -1.137 -9.316 -6.832 498 HB3 LEU 62 HB3 LEU 62 -0.721 -10.587 -7.961 499 HG LEU 62 HG LEU 62 -0.429 -11.599 -5.894 500 HD11 LEU 62 HD11 LEU 62 1.950 -11.931 -5.577 501 HD12 LEU 62 HD12 LEU 62 2.298 -10.487 -6.526 502 HD13 LEU 62 HD13 LEU 62 1.555 -11.889 -7.296 503 HD21 LEU 62 HD21 LEU 62 1.106 -9.267 -4.792 504 HD22 LEU 62 HD22 LEU 62 0.359 -10.605 -3.923 505 HD23 LEU 62 HD23 LEU 62 -0.648 -9.373 -4.675 506 H HIS 63 H HIS 63 -0.423 -8.962 -10.148 507 HA HIS 63 HA HIS 63 1.087 -10.888 -11.483 508 HB2 HIS 63 HB2 HIS 63 -1.158 -10.137 -12.200 509 HB3 HIS 63 HB3 HIS 63 -0.483 -8.576 -12.652 510 HD1 HIS 63 HD1 HIS 63 -0.793 -12.099 -13.802 511 HD2 HIS 63 HD2 HIS 63 1.047 -8.581 -15.030 512 HE1 HIS 63 HE1 HIS 63 -0.082 -12.506 -16.179 513 HE2 HIS 63 HE2 HIS 63 1.072 -10.381 -16.887 514 H ARG 64 H ARG 64 1.397 -7.368 -11.276 515 HA ARG 64 HA ARG 64 3.663 -7.267 -12.983 516 HB2 ARG 64 HB2 ARG 64 2.641 -5.252 -10.967 517 HB3 ARG 64 HB3 ARG 64 3.836 -4.930 -12.216 518 HG2 ARG 64 HG2 ARG 64 2.155 -5.446 -13.931 519 HG3 ARG 64 HG3 ARG 64 0.960 -5.697 -12.659 520 HD2 ARG 64 HD2 ARG 64 1.235 -3.386 -11.930 521 HD3 ARG 64 HD3 ARG 64 2.459 -3.130 -13.173 522 HE ARG 64 HE ARG 64 0.349 -3.922 -14.624 523 HH11 ARG 64 HH11 ARG 64 0.662 -1.550 -12.092 524 HH12 ARG 64 HH12 ARG 64 -0.587 -0.527 -12.720 525 HH21 ARG 64 HH21 ARG 64 -1.295 -2.581 -15.459 526 HH22 ARG 64 HH22 ARG 64 -1.699 -1.113 -14.633 527 H ASN 65 H ASN 65 3.194 -8.332 -9.878 528 HA ASN 65 HA ASN 65 4.620 -9.181 -8.328 529 HB2 ASN 65 HB2 ASN 65 6.722 -8.391 -10.341 530 HB3 ASN 65 HB3 ASN 65 7.097 -9.188 -8.818 531 HD21 ASN 65 HD21 ASN 65 4.204 -9.868 -10.656 532 HD22 ASN 65 HD22 ASN 65 4.656 -11.461 -11.140 533 H LEU 66 H LEU 66 3.903 -6.180 -8.619 534 HA LEU 66 HA LEU 66 6.120 -4.856 -7.290 535 HB2 LEU 66 HB2 LEU 66 3.322 -3.790 -7.421 536 HB3 LEU 66 HB3 LEU 66 4.818 -2.898 -7.278 537 HG LEU 66 HG LEU 66 3.635 -4.160 -9.735 538 HD11 LEU 66 HD11 LEU 66 2.975 -1.881 -9.171 539 HD12 LEU 66 HD12 LEU 66 3.953 -1.919 -10.638 540 HD13 LEU 66 HD13 LEU 66 4.671 -1.400 -9.111 541 HD21 LEU 66 HD21 LEU 66 5.693 -3.644 -10.932 542 HD22 LEU 66 HD22 LEU 66 5.994 -4.828 -9.660 543 HD23 LEU 66 HD23 LEU 66 6.456 -3.143 -9.425 544 H VAL 67 H VAL 67 3.136 -6.442 -6.520 545 HA VAL 67 HA VAL 67 3.700 -6.095 -3.664 546 HB VAL 67 HB VAL 67 1.282 -6.933 -3.433 547 HG11 VAL 67 HG11 VAL 67 1.766 -4.300 -4.823 548 HG12 VAL 67 HG12 VAL 67 1.957 -4.596 -3.095 549 HG13 VAL 67 HG13 VAL 67 0.362 -4.714 -3.839 550 HG21 VAL 67 HG21 VAL 67 -0.157 -6.702 -5.330 551 HG22 VAL 67 HG22 VAL 67 1.153 -7.813 -5.734 552 HG23 VAL 67 HG23 VAL 67 1.187 -6.156 -6.334 553 H LEU 68 H LEU 68 2.917 -8.047 -2.309 554 HA LEU 68 HA LEU 68 3.533 -10.577 -3.687 555 HB2 LEU 68 HB2 LEU 68 5.405 -9.363 -2.247 556 HB3 LEU 68 HB3 LEU 68 4.538 -10.113 -0.927 557 HG LEU 68 HG LEU 68 5.720 -11.611 -3.266 558 HD11 LEU 68 HD11 LEU 68 7.455 -10.631 -1.862 559 HD12 LEU 68 HD12 LEU 68 7.401 -12.383 -1.675 560 HD13 LEU 68 HD13 LEU 68 6.709 -11.342 -0.431 561 HD21 LEU 68 HD21 LEU 68 5.279 -13.600 -1.903 562 HD22 LEU 68 HD22 LEU 68 3.792 -12.741 -2.305 563 HD23 LEU 68 HD23 LEU 68 4.489 -12.590 -0.692 564 H ARG 69 H ARG 69 1.933 -12.019 -3.344 565 HA ARG 69 HA ARG 69 0.013 -11.504 -1.195 566 HB2 ARG 69 HB2 ARG 69 -1.312 -13.323 -2.300 567 HB3 ARG 69 HB3 ARG 69 -1.071 -11.881 -3.280 568 HG2 ARG 69 HG2 ARG 69 0.462 -12.945 -4.676 569 HG3 ARG 69 HG3 ARG 69 0.732 -14.260 -3.530 570 HD2 ARG 69 HD2 ARG 69 -1.533 -15.068 -3.907 571 HD3 ARG 69 HD3 ARG 69 -1.837 -13.735 -5.020 572 HE ARG 69 HE ARG 69 0.417 -15.186 -5.882 573 HH11 ARG 69 HH11 ARG 69 -3.046 -15.478 -5.623 574 HH12 ARG 69 HH12 ARG 69 -3.184 -16.565 -6.965 575 HH21 ARG 69 HH21 ARG 69 0.244 -16.616 -7.650 576 HH22 ARG 69 HH22 ARG 69 -1.314 -17.212 -8.117 577 H THR 70 H THR 70 -0.435 -13.004 0.391 578 HA THR 70 HA THR 70 1.364 -15.306 0.513 579 HB THR 70 HB THR 70 0.105 -13.987 2.908 580 HG1 THR 70 HG1 THR 70 2.707 -13.309 2.367 581 HG21 THR 70 HG21 THR 70 2.353 -15.887 2.401 582 HG22 THR 70 HG22 THR 70 1.103 -15.937 3.645 583 HG23 THR 70 HG23 THR 70 2.442 -14.802 3.786 584 H HIS 71 H HIS 71 0.468 -16.840 2.379 585 HA HIS 71 HA HIS 71 -1.207 -18.636 1.507 586 HB2 HIS 71 HB2 HIS 71 -0.393 -17.672 4.103 587 HB3 HIS 71 HB3 HIS 71 -1.952 -18.463 4.171 588 HD1 HIS 71 HD1 HIS 71 -1.927 -21.022 3.186 589 HD2 HIS 71 HD2 HIS 71 1.745 -19.292 4.077 590 HE1 HIS 71 HE1 HIS 71 -0.303 -22.937 3.332 591 HE2 HIS 71 HE2 HIS 71 1.894 -21.876 3.970 592 H GLN 72 H GLN 72 -2.776 -16.642 4.029 593 HA GLN 72 HA GLN 72 -4.887 -15.619 2.337 594 HB2 GLN 72 HB2 GLN 72 -5.490 -17.947 2.402 595 HB3 GLN 72 HB3 GLN 72 -5.174 -18.037 4.128 596 HG2 GLN 72 HG2 GLN 72 -7.077 -16.570 4.555 597 HG3 GLN 72 HG3 GLN 72 -7.387 -16.468 2.822 598 HE21 GLN 72 HE21 GLN 72 -7.513 -18.492 5.646 599 HE22 GLN 72 HE22 GLN 72 -8.525 -19.717 4.971 600 HA PRO 73 HA PRO 73 -7.110 -14.695 2.801 601 HB2 PRO 73 HB2 PRO 73 -7.004 -11.780 3.236 602 HB3 PRO 73 HB3 PRO 73 -8.404 -12.855 3.182 603 HG2 PRO 73 HG2 PRO 73 -7.568 -11.790 5.485 604 HG3 PRO 73 HG3 PRO 73 -8.204 -13.444 5.411 605 HD2 PRO 73 HD2 PRO 73 -5.356 -12.514 5.537 606 HD3 PRO 73 HD3 PRO 73 -6.142 -13.852 6.404 607 H ALA 74 H ALA 74 -4.015 -13.784 3.123 608 HA ALA 74 HA ALA 74 -2.573 -14.185 1.236 609 HB1 ALA 74 HB1 ALA 74 -4.426 -14.081 -0.434 610 HB2 ALA 74 HB2 ALA 74 -2.989 -13.166 -0.885 611 HB3 ALA 74 HB3 ALA 74 -4.410 -12.326 -0.266 612 H ARG 75 H ARG 75 -1.289 -13.212 2.755 613 HA ARG 75 HA ARG 75 -1.522 -10.446 3.503 614 HB2 ARG 75 HB2 ARG 75 0.966 -12.139 3.691 615 HB3 ARG 75 HB3 ARG 75 0.501 -10.781 4.698 616 HG2 ARG 75 HG2 ARG 75 -1.017 -12.022 5.914 617 HG3 ARG 75 HG3 ARG 75 -1.207 -13.230 4.641 618 HD2 ARG 75 HD2 ARG 75 0.799 -14.290 5.173 619 HD3 ARG 75 HD3 ARG 75 1.415 -12.886 6.054 620 HE ARG 75 HE ARG 75 -0.902 -13.879 7.322 621 HH11 ARG 75 HH11 ARG 75 2.452 -14.666 6.795 622 HH12 ARG 75 HH12 ARG 75 2.601 -15.576 8.260 623 HH21 ARG 75 HH21 ARG 75 -0.714 -15.076 9.252 624 HH22 ARG 75 HH22 ARG 75 0.801 -15.810 9.657 625 H TYR 76 H TYR 76 -0.889 -8.721 2.313 626 HA TYR 76 HA TYR 76 0.783 -9.210 0.004 627 HB2 TYR 76 HB2 TYR 76 -0.938 -6.860 0.780 628 HB3 TYR 76 HB3 TYR 76 0.035 -6.923 -0.688 629 HD1 TYR 76 HD1 TYR 76 -0.477 -8.655 -2.421 630 HD2 TYR 76 HD2 TYR 76 -3.040 -7.960 0.902 631 HE1 TYR 76 HE1 TYR 76 -2.295 -9.830 -3.590 632 HE2 TYR 76 HE2 TYR 76 -4.868 -9.131 -0.257 633 HH TYR 76 HH TYR 76 -5.526 -9.705 -2.551 634 H SER 77 H SER 77 2.544 -7.793 -0.573 635 HA SER 77 HA SER 77 3.725 -6.282 1.537 636 HB2 SER 77 HB2 SER 77 4.558 -8.492 2.166 637 HB3 SER 77 HB3 SER 77 5.177 -8.739 0.534 638 HG SER 77 HG SER 77 6.925 -7.887 1.339 639 H LEU 78 H LEU 78 5.482 -4.972 0.811 640 HA LEU 78 HA LEU 78 5.336 -4.356 -1.995 641 HB2 LEU 78 HB2 LEU 78 6.859 -3.152 0.303 642 HB3 LEU 78 HB3 LEU 78 7.033 -2.579 -1.339 643 HG LEU 78 HG LEU 78 4.633 -2.388 0.455 644 HD11 LEU 78 HD11 LEU 78 6.381 -0.656 0.562 645 HD12 LEU 78 HD12 LEU 78 4.840 -0.032 -0.021 646 HD13 LEU 78 HD13 LEU 78 6.150 -0.346 -1.159 647 HD21 LEU 78 HD21 LEU 78 3.403 -1.454 -1.456 648 HD22 LEU 78 HD22 LEU 78 3.791 -3.159 -1.687 649 HD23 LEU 78 HD23 LEU 78 4.727 -1.919 -2.522 650 H THR 79 H THR 79 6.652 -5.069 -3.544 651 HA THR 79 HA THR 79 9.135 -6.390 -2.827 652 HB THR 79 HB THR 79 8.783 -6.311 -5.640 653 HG1 THR 79 HG1 THR 79 6.691 -6.027 -5.764 654 HG21 THR 79 HG21 THR 79 8.110 -8.500 -3.668 655 HG22 THR 79 HG22 THR 79 9.711 -8.185 -4.337 656 HG23 THR 79 HG23 THR 79 8.402 -8.714 -5.393 657 HA PRO 80 HA PRO 80 12.227 -3.463 -4.186 658 HB2 PRO 80 HB2 PRO 80 12.147 -4.559 -6.977 659 HB3 PRO 80 HB3 PRO 80 13.540 -4.100 -5.995 660 HG2 PRO 80 HG2 PRO 80 12.875 -6.654 -6.241 661 HG3 PRO 80 HG3 PRO 80 13.408 -6.015 -4.675 662 HD2 PRO 80 HD2 PRO 80 10.687 -6.785 -5.579 663 HD3 PRO 80 HD3 PRO 80 11.390 -6.821 -3.950 664 H GLU 81 H GLU 81 9.880 -3.945 -6.840 665 HA GLU 81 HA GLU 81 10.144 -1.262 -7.795 666 HB2 GLU 81 HB2 GLU 81 8.008 -3.333 -8.319 667 HB3 GLU 81 HB3 GLU 81 8.179 -1.815 -9.186 668 HG2 GLU 81 HG2 GLU 81 10.389 -2.524 -9.973 669 HG3 GLU 81 HG3 GLU 81 10.180 -4.059 -9.131 670 H GLY 82 H GLY 82 7.725 -2.955 -5.784 671 HA2 GLY 82 HA2 GLY 82 5.938 -0.714 -5.613 672 HA3 GLY 82 HA3 GLY 82 5.932 -2.124 -4.574 673 H LEU 83 H LEU 83 8.816 -1.720 -3.968 674 HA LEU 83 HA LEU 83 8.512 -0.095 -1.683 675 HB2 LEU 83 HB2 LEU 83 10.318 -2.007 -2.564 676 HB3 LEU 83 HB3 LEU 83 11.270 -0.540 -2.505 677 HG LEU 83 HG LEU 83 11.506 -1.732 -0.421 678 HD11 LEU 83 HD11 LEU 83 11.503 0.694 -0.276 679 HD12 LEU 83 HD12 LEU 83 10.767 -0.016 1.163 680 HD13 LEU 83 HD13 LEU 83 9.749 0.695 -0.090 681 HD21 LEU 83 HD21 LEU 83 9.425 -3.004 -0.510 682 HD22 LEU 83 HD22 LEU 83 8.509 -1.531 -0.185 683 HD23 LEU 83 HD23 LEU 83 9.606 -2.176 1.036 684 H GLU 84 H GLU 84 10.503 0.307 -4.600 685 HA GLU 84 HA GLU 84 11.342 2.912 -4.066 686 HB2 GLU 84 HB2 GLU 84 10.855 1.704 -6.799 687 HB3 GLU 84 HB3 GLU 84 11.886 3.082 -6.440 688 HG2 GLU 84 HG2 GLU 84 13.326 1.610 -5.092 689 HG3 GLU 84 HG3 GLU 84 12.316 0.248 -5.559 690 H LEU 85 H LEU 85 8.552 1.721 -5.845 691 HA LEU 85 HA LEU 85 7.631 4.189 -6.882 692 HB2 LEU 85 HB2 LEU 85 6.893 1.986 -7.705 693 HB3 LEU 85 HB3 LEU 85 6.129 1.668 -6.161 694 HG LEU 85 HG LEU 85 5.274 4.066 -7.728 695 HD11 LEU 85 HD11 LEU 85 4.331 1.244 -8.226 696 HD12 LEU 85 HD12 LEU 85 5.270 2.234 -9.346 697 HD13 LEU 85 HD13 LEU 85 3.628 2.709 -8.912 698 HD21 LEU 85 HD21 LEU 85 4.395 3.797 -5.494 699 HD22 LEU 85 HD22 LEU 85 3.899 2.145 -5.853 700 HD23 LEU 85 HD23 LEU 85 3.112 3.497 -6.665 701 H ALA 86 H ALA 86 6.779 2.300 -3.992 702 HA ALA 86 HA ALA 86 4.906 4.084 -2.941 703 HB1 ALA 86 HB1 ALA 86 5.191 1.797 -2.121 704 HB2 ALA 86 HB2 ALA 86 5.248 2.968 -0.804 705 HB3 ALA 86 HB3 ALA 86 6.740 2.244 -1.406 706 H GLN 87 H GLN 87 8.424 4.035 -2.592 707 HA GLN 87 HA GLN 87 8.648 5.977 -0.574 708 HB2 GLN 87 HB2 GLN 87 10.484 5.231 -2.851 709 HB3 GLN 87 HB3 GLN 87 10.912 6.448 -1.658 710 HG2 GLN 87 HG2 GLN 87 10.736 4.792 0.114 711 HG3 GLN 87 HG3 GLN 87 10.272 3.568 -1.066 712 HE21 GLN 87 HE21 GLN 87 11.820 2.752 -2.476 713 HE22 GLN 87 HE22 GLN 87 13.513 2.963 -2.205 714 H LYS 88 H LYS 88 8.358 6.232 -4.066 715 HA LYS 88 HA LYS 88 8.501 8.972 -4.263 716 HB2 LYS 88 HB2 LYS 88 6.777 7.253 -6.034 717 HB3 LYS 88 HB3 LYS 88 7.653 8.713 -6.457 718 HG2 LYS 88 HG2 LYS 88 9.773 7.527 -6.135 719 HG3 LYS 88 HG3 LYS 88 8.881 6.069 -5.724 720 HD2 LYS 88 HD2 LYS 88 7.815 6.172 -7.981 721 HD3 LYS 88 HD3 LYS 88 8.910 7.498 -8.374 722 HE2 LYS 88 HE2 LYS 88 10.830 6.030 -7.945 723 HE3 LYS 88 HE3 LYS 88 9.729 4.702 -7.571 724 HZ1 LYS 88 HZ1 LYS 88 10.548 4.551 -9.833 725 HZ2 LYS 88 HZ2 LYS 88 9.946 6.091 -10.190 726 HZ3 LYS 88 HZ3 LYS 88 8.878 4.828 -9.834 727 H LEU 89 H LEU 89 5.602 6.939 -3.955 728 HA LEU 89 HA LEU 89 3.705 9.032 -4.141 729 HB2 LEU 89 HB2 LEU 89 3.668 6.243 -3.035 730 HB3 LEU 89 HB3 LEU 89 2.283 7.301 -2.868 731 HG LEU 89 HG LEU 89 2.027 7.431 -5.262 732 HD11 LEU 89 HD11 LEU 89 3.434 6.199 -6.803 733 HD12 LEU 89 HD12 LEU 89 4.449 5.666 -5.465 734 HD13 LEU 89 HD13 LEU 89 4.385 7.374 -5.895 735 HD21 LEU 89 HD21 LEU 89 1.382 5.168 -5.726 736 HD22 LEU 89 HD22 LEU 89 1.057 5.507 -4.026 737 HD23 LEU 89 HD23 LEU 89 2.472 4.559 -4.481 738 H ALA 90 H ALA 90 5.610 7.633 -1.613 739 HA ALA 90 HA ALA 90 4.407 8.850 0.560 740 HB1 ALA 90 HB1 ALA 90 7.312 8.096 0.284 741 HB2 ALA 90 HB2 ALA 90 6.004 6.989 0.702 742 HB3 ALA 90 HB3 ALA 90 6.423 8.311 1.792 743 H GLU 91 H GLU 91 6.679 10.133 -1.713 744 HA GLU 91 HA GLU 91 7.773 12.265 -0.218 745 HB2 GLU 91 HB2 GLU 91 7.151 12.413 -3.160 746 HB3 GLU 91 HB3 GLU 91 8.448 13.214 -2.282 747 HG2 GLU 91 HG2 GLU 91 9.546 11.094 -1.911 748 HG3 GLU 91 HG3 GLU 91 8.213 10.258 -2.705 749 H SER 92 H SER 92 4.978 12.097 -2.369 750 HA SER 92 HA SER 92 4.015 14.620 -2.056 751 HB2 SER 92 HB2 SER 92 3.148 12.988 -3.671 752 HB3 SER 92 HB3 SER 92 2.396 12.082 -2.358 753 HG SER 92 HG SER 92 1.383 14.113 -3.704 754 H GLU 93 H GLU 93 3.818 11.990 0.223 755 HA GLU 93 HA GLU 93 1.838 13.386 1.868 756 HB2 GLU 93 HB2 GLU 93 3.209 10.779 2.504 757 HB3 GLU 93 HB3 GLU 93 1.691 11.388 3.137 758 HG2 GLU 93 HG2 GLU 93 2.112 10.625 0.265 759 HG3 GLU 93 HG3 GLU 93 1.487 9.529 1.499 760 H GLY 94 H GLY 94 5.132 13.320 1.403 761 HA2 GLY 94 HA2 GLY 94 6.671 14.683 2.596 762 HA3 GLY 94 HA3 GLY 94 5.555 14.698 3.960 763 H LEU 95 H LEU 95 5.331 11.690 3.017 764 HA LEU 95 HA LEU 95 6.275 9.667 3.430 765 HB2 LEU 95 HB2 LEU 95 8.492 11.179 2.883 766 HB3 LEU 95 HB3 LEU 95 8.831 10.605 4.507 767 HG LEU 95 HG LEU 95 8.470 9.013 1.989 768 HD11 LEU 95 HD11 LEU 95 10.584 9.032 4.134 769 HD12 LEU 95 HD12 LEU 95 10.710 9.772 2.538 770 HD13 LEU 95 HD13 LEU 95 10.586 8.019 2.690 771 HD21 LEU 95 HD21 LEU 95 8.295 7.970 4.813 772 HD22 LEU 95 HD22 LEU 95 8.503 6.968 3.376 773 HD23 LEU 95 HD23 LEU 95 7.030 7.919 3.583 774 H SER 96 H SER 96 5.044 11.626 5.345 775 HA SER 96 HA SER 96 6.072 10.695 7.893 776 HB2 SER 96 HB2 SER 96 5.414 13.056 7.631 777 HB3 SER 96 HB3 SER 96 3.763 12.555 7.268 778 HG SER 96 HG SER 96 3.499 12.682 9.347 779 H LEU 97 H LEU 97 5.262 8.466 6.747 780 HA LEU 97 HA LEU 97 2.409 7.998 7.202 781 HB2 LEU 97 HB2 LEU 97 4.554 6.248 5.999 782 HB3 LEU 97 HB3 LEU 97 2.903 5.729 6.276 783 HG LEU 97 HG LEU 97 2.194 7.652 4.760 784 HD11 LEU 97 HD11 LEU 97 3.891 8.407 3.146 785 HD12 LEU 97 HD12 LEU 97 5.133 7.585 4.091 786 HD13 LEU 97 HD13 LEU 97 4.243 8.937 4.790 787 HD21 LEU 97 HD21 LEU 97 3.841 5.424 3.574 788 HD22 LEU 97 HD22 LEU 97 2.590 6.353 2.748 789 HD23 LEU 97 HD23 LEU 97 2.160 5.297 4.092 790 H LEU 98 H LEU 98 5.148 5.819 7.774 791 HA LEU 98 HA LEU 98 4.609 4.469 9.839 792 HB2 LEU 98 HB2 LEU 98 7.102 6.155 9.722 793 HB3 LEU 98 HB3 LEU 98 6.867 4.897 10.919 794 HG LEU 98 HG LEU 98 6.792 4.377 7.951 795 HD11 LEU 98 HD11 LEU 98 9.095 4.080 9.876 796 HD12 LEU 98 HD12 LEU 98 8.985 5.245 8.557 797 HD13 LEU 98 HD13 LEU 98 9.071 3.520 8.204 798 HD21 LEU 98 HD21 LEU 98 5.657 2.736 9.394 799 HD22 LEU 98 HD22 LEU 98 7.149 2.534 10.313 800 HD23 LEU 98 HD23 LEU 98 7.090 2.063 8.615 801 H ASN 99 H ASN 99 5.847 7.729 10.606 802 HA ASN 99 HA ASN 99 4.516 7.587 13.204 803 HB2 ASN 99 HB2 ASN 99 6.474 9.617 12.107 804 HB3 ASN 99 HB3 ASN 99 5.828 9.609 13.746 805 HD21 ASN 99 HD21 ASN 99 7.968 8.061 11.496 806 HD22 ASN 99 HD22 ASN 99 8.823 7.105 12.653 807 H VAL 100 H VAL 100 2.909 8.958 13.843 808 HA VAL 100 HA VAL 100 1.905 10.873 11.840 809 HB VAL 100 HB VAL 100 0.195 9.137 13.627 810 HG11 VAL 100 HG11 VAL 100 -1.674 10.030 12.312 811 HG12 VAL 100 HG12 VAL 100 -0.554 11.079 11.444 812 HG13 VAL 100 HG13 VAL 100 -0.812 11.303 13.175 813 HG21 VAL 100 HG21 VAL 100 1.240 7.814 11.873 814 HG22 VAL 100 HG22 VAL 100 0.690 8.967 10.656 815 HG23 VAL 100 HG23 VAL 100 -0.485 8.008 11.557 816 H GLY 101 H GLY 101 1.348 9.933 15.243 817 HA2 GLY 101 HA2 GLY 101 2.142 12.437 16.272 818 HA3 GLY 101 HA3 GLY 101 0.390 12.400 16.142 819 H ILE 102 H ILE 102 0.801 12.735 18.551 820 HA ILE 102 HA ILE 102 1.446 10.274 19.976 821 HB ILE 102 HB ILE 102 0.795 13.043 20.997 822 HG12 ILE 102 HG12 ILE 102 3.217 12.865 21.794 823 HG13 ILE 102 HG13 ILE 102 3.358 11.471 20.730 824 HG21 ILE 102 HG21 ILE 102 1.567 10.565 22.531 825 HG22 ILE 102 HG22 ILE 102 0.015 11.401 22.592 826 HG23 ILE 102 HG23 ILE 102 1.467 12.190 23.208 827 HD11 ILE 102 HD11 ILE 102 4.214 13.527 19.716 828 HD12 ILE 102 HD12 ILE 102 2.611 14.250 19.852 829 HD13 ILE 102 HD13 ILE 102 2.862 12.851 18.809 830 H GLY 103 H GLY 103 -1.282 12.493 19.514 831 HA2 GLY 103 HA2 GLY 103 -3.395 11.041 19.336 832 HA3 GLY 103 HA3 GLY 103 -3.017 10.640 21.004 Start of MODEL 14 1 H GLY 1 H GLY 1 10.664 2.857 -20.084 2 HA2 GLY 1 HA2 GLY 1 7.825 1.989 -20.066 3 HA3 GLY 1 HA3 GLY 1 9.209 0.955 -19.747 4 H SER 2 H SER 2 6.910 3.043 -18.409 5 HA SER 2 HA SER 2 8.098 2.681 -15.768 6 HB2 SER 2 HB2 SER 2 7.236 5.382 -16.833 7 HB3 SER 2 HB3 SER 2 7.716 5.049 -15.170 8 HG SER 2 HG SER 2 9.369 5.906 -16.692 9 H TYR 3 H TYR 3 6.540 3.302 -14.019 10 HA TYR 3 HA TYR 3 3.736 3.138 -14.866 11 HB2 TYR 3 HB2 TYR 3 4.453 0.848 -14.341 12 HB3 TYR 3 HB3 TYR 3 5.007 1.379 -12.756 13 HD1 TYR 3 HD1 TYR 3 1.916 1.342 -14.854 14 HD2 TYR 3 HD2 TYR 3 3.586 1.138 -10.947 15 HE1 TYR 3 HE1 TYR 3 -0.317 0.889 -13.930 16 HE2 TYR 3 HE2 TYR 3 1.359 0.683 -10.012 17 HH TYR 3 HH TYR 3 -1.307 -0.153 -11.933 18 H TRP 4 H TRP 4 2.650 4.760 -13.977 19 HA TRP 4 HA TRP 4 3.124 5.489 -11.210 20 HB2 TRP 4 HB2 TRP 4 4.689 6.919 -12.521 21 HB3 TRP 4 HB3 TRP 4 3.307 7.580 -13.389 22 HD1 TRP 4 HD1 TRP 4 1.705 9.266 -12.049 23 HE1 TRP 4 HE1 TRP 4 2.088 10.664 -9.922 24 HE3 TRP 4 HE3 TRP 4 5.871 6.902 -10.264 25 HZ2 TRP 4 HZ2 TRP 4 3.915 10.753 -7.773 26 HZ3 TRP 4 HZ3 TRP 4 6.876 7.706 -8.167 27 HH2 TRP 4 HH2 TRP 4 5.918 9.591 -6.948 28 HA PRO 5 HA PRO 5 -1.364 5.406 -12.152 29 HB2 PRO 5 HB2 PRO 5 -1.442 5.359 -9.190 30 HB3 PRO 5 HB3 PRO 5 -2.241 4.297 -10.353 31 HG2 PRO 5 HG2 PRO 5 -0.151 3.444 -8.932 32 HG3 PRO 5 HG3 PRO 5 -0.364 2.965 -10.626 33 HD2 PRO 5 HD2 PRO 5 1.465 5.026 -9.454 34 HD3 PRO 5 HD3 PRO 5 1.771 3.855 -10.755 35 H ALA 6 H ALA 6 -3.195 6.710 -11.064 36 HA ALA 6 HA ALA 6 -2.367 9.482 -11.071 37 HB1 ALA 6 HB1 ALA 6 -5.120 8.283 -10.773 38 HB2 ALA 6 HB2 ALA 6 -4.375 8.792 -12.289 39 HB3 ALA 6 HB3 ALA 6 -4.751 9.985 -11.046 40 H ARG 7 H ARG 7 -4.144 10.694 -9.375 41 HA ARG 7 HA ARG 7 -2.920 10.197 -6.827 42 HB2 ARG 7 HB2 ARG 7 -5.067 12.173 -7.618 43 HB3 ARG 7 HB3 ARG 7 -4.223 12.157 -6.077 44 HG2 ARG 7 HG2 ARG 7 -2.104 12.563 -7.251 45 HG3 ARG 7 HG3 ARG 7 -2.983 12.631 -8.780 46 HD2 ARG 7 HD2 ARG 7 -2.548 14.871 -7.940 47 HD3 ARG 7 HD3 ARG 7 -4.279 14.533 -7.948 48 HE ARG 7 HE ARG 7 -3.408 13.868 -5.426 49 HH11 ARG 7 HH11 ARG 7 -3.409 16.729 -7.415 50 HH12 ARG 7 HH12 ARG 7 -3.498 17.819 -6.072 51 HH21 ARG 7 HH21 ARG 7 -3.526 15.296 -3.652 52 HH22 ARG 7 HH22 ARG 7 -3.564 17.004 -3.933 53 H HIS 8 H HIS 8 -3.827 9.412 -4.978 54 HA HIS 8 HA HIS 8 -5.161 8.102 -3.686 55 HB2 HIS 8 HB2 HIS 8 -7.345 9.519 -5.230 56 HB3 HIS 8 HB3 HIS 8 -7.578 8.613 -3.739 57 HD1 HIS 8 HD1 HIS 8 -7.115 9.812 -1.572 58 HD2 HIS 8 HD2 HIS 8 -5.859 11.958 -4.901 59 HE1 HIS 8 HE1 HIS 8 -6.488 12.088 -0.707 60 HE2 HIS 8 HE2 HIS 8 -5.822 13.398 -2.754 61 H SER 9 H SER 9 -4.519 7.332 -6.641 62 HA SER 9 HA SER 9 -6.610 5.670 -7.568 63 HB2 SER 9 HB2 SER 9 -3.629 5.515 -8.075 64 HB3 SER 9 HB3 SER 9 -4.854 4.618 -8.973 65 HG SER 9 HG SER 9 -5.741 6.655 -9.589 66 H GLY 10 H GLY 10 -6.777 3.374 -7.503 67 HA2 GLY 10 HA2 GLY 10 -6.465 2.201 -5.036 68 HA3 GLY 10 HA3 GLY 10 -6.674 1.298 -6.528 69 H ALA 11 H ALA 11 -4.527 1.252 -7.876 70 HA ALA 11 HA ALA 11 -2.669 -0.233 -6.573 71 HB1 ALA 11 HB1 ALA 11 -1.188 0.109 -8.481 72 HB2 ALA 11 HB2 ALA 11 -2.162 1.487 -8.993 73 HB3 ALA 11 HB3 ALA 11 -2.858 -0.135 -8.997 74 H ARG 12 H ARG 12 -2.867 3.233 -6.533 75 HA ARG 12 HA ARG 12 -0.084 3.682 -5.865 76 HB2 ARG 12 HB2 ARG 12 -1.162 5.474 -7.018 77 HB3 ARG 12 HB3 ARG 12 -2.522 5.462 -5.911 78 HG2 ARG 12 HG2 ARG 12 -1.044 6.205 -4.114 79 HG3 ARG 12 HG3 ARG 12 0.304 6.254 -5.248 80 HD2 ARG 12 HD2 ARG 12 -1.021 7.894 -6.605 81 HD3 ARG 12 HD3 ARG 12 -2.185 7.948 -5.280 82 HE ARG 12 HE ARG 12 0.592 8.518 -4.621 83 HH11 ARG 12 HH11 ARG 12 -2.595 9.746 -5.294 84 HH12 ARG 12 HH12 ARG 12 -2.290 11.294 -4.579 85 HH21 ARG 12 HH21 ARG 12 1.004 10.550 -3.679 86 HH22 ARG 12 HH22 ARG 12 -0.244 11.751 -3.663 87 H VAL 13 H VAL 13 -3.236 3.833 -4.269 88 HA VAL 13 HA VAL 13 -2.276 4.654 -1.751 89 HB VAL 13 HB VAL 13 -4.814 3.203 -2.501 90 HG11 VAL 13 HG11 VAL 13 -4.055 4.519 0.103 91 HG12 VAL 13 HG12 VAL 13 -4.307 2.794 -0.167 92 HG13 VAL 13 HG13 VAL 13 -5.659 3.917 -0.310 93 HG21 VAL 13 HG21 VAL 13 -4.636 5.413 -3.491 94 HG22 VAL 13 HG22 VAL 13 -4.266 6.108 -1.914 95 HG23 VAL 13 HG23 VAL 13 -5.854 5.408 -2.216 96 H ILE 14 H ILE 14 -2.935 1.443 -3.143 97 HA ILE 14 HA ILE 14 -2.426 0.044 -0.824 98 HB ILE 14 HB ILE 14 -2.215 -1.949 -2.177 99 HG12 ILE 14 HG12 ILE 14 -2.111 -0.061 -4.536 100 HG13 ILE 14 HG13 ILE 14 -0.806 -1.106 -3.988 101 HG21 ILE 14 HG21 ILE 14 -4.426 -1.080 -1.763 102 HG22 ILE 14 HG22 ILE 14 -4.352 -1.814 -3.365 103 HG23 ILE 14 HG23 ILE 14 -4.318 -0.059 -3.194 104 HD11 ILE 14 HD11 ILE 14 -3.452 -2.032 -5.077 105 HD12 ILE 14 HD12 ILE 14 -2.126 -3.066 -4.552 106 HD13 ILE 14 HD13 ILE 14 -1.921 -2.012 -5.948 107 H LEU 15 H LEU 15 -0.059 0.115 -3.560 108 HA LEU 15 HA LEU 15 1.980 -0.846 -2.198 109 HB2 LEU 15 HB2 LEU 15 2.321 1.428 -4.146 110 HB3 LEU 15 HB3 LEU 15 3.532 0.246 -3.711 111 HG LEU 15 HG LEU 15 0.948 -0.667 -4.908 112 HD11 LEU 15 HD11 LEU 15 1.724 1.084 -6.400 113 HD12 LEU 15 HD12 LEU 15 1.955 -0.504 -7.132 114 HD13 LEU 15 HD13 LEU 15 3.331 0.357 -6.442 115 HD21 LEU 15 HD21 LEU 15 2.366 -2.479 -5.725 116 HD22 LEU 15 HD22 LEU 15 2.481 -2.318 -3.974 117 HD23 LEU 15 HD23 LEU 15 3.777 -1.708 -5.002 118 H LEU 16 H LEU 16 0.760 2.361 -1.676 119 HA LEU 16 HA LEU 16 3.183 3.382 -0.454 120 HB2 LEU 16 HB2 LEU 16 1.797 4.936 -1.661 121 HB3 LEU 16 HB3 LEU 16 0.383 4.447 -0.751 122 HG LEU 16 HG LEU 16 1.466 5.334 1.299 123 HD11 LEU 16 HD11 LEU 16 3.780 5.225 0.526 124 HD12 LEU 16 HD12 LEU 16 3.356 6.854 1.052 125 HD13 LEU 16 HD13 LEU 16 3.442 6.476 -0.670 126 HD21 LEU 16 HD21 LEU 16 -0.208 6.605 0.109 127 HD22 LEU 16 HD22 LEU 16 1.019 7.255 -0.976 128 HD23 LEU 16 HD23 LEU 16 1.036 7.687 0.735 129 H VAL 17 H VAL 17 -0.019 2.208 0.403 130 HA VAL 17 HA VAL 17 0.184 2.764 3.188 131 HB VAL 17 HB VAL 17 -1.918 2.437 1.816 132 HG11 VAL 17 HG11 VAL 17 -2.819 0.143 1.770 133 HG12 VAL 17 HG12 VAL 17 -1.226 -0.445 2.244 134 HG13 VAL 17 HG13 VAL 17 -1.436 0.396 0.708 135 HG21 VAL 17 HG21 VAL 17 -1.631 0.962 4.421 136 HG22 VAL 17 HG22 VAL 17 -3.160 1.474 3.709 137 HG23 VAL 17 HG23 VAL 17 -1.978 2.680 4.222 138 H LEU 18 H LEU 18 0.570 -0.248 1.263 139 HA LEU 18 HA LEU 18 1.463 -1.824 3.298 140 HB2 LEU 18 HB2 LEU 18 1.995 -1.800 0.353 141 HB3 LEU 18 HB3 LEU 18 2.881 -2.929 1.358 142 HG LEU 18 HG LEU 18 0.873 -3.866 0.262 143 HD11 LEU 18 HD11 LEU 18 0.830 -3.852 3.273 144 HD12 LEU 18 HD12 LEU 18 1.837 -4.885 2.259 145 HD13 LEU 18 HD13 LEU 18 0.083 -5.066 2.233 146 HD21 LEU 18 HD21 LEU 18 -0.605 -1.959 0.399 147 HD22 LEU 18 HD22 LEU 18 -0.607 -2.067 2.158 148 HD23 LEU 18 HD23 LEU 18 -1.324 -3.357 1.192 149 H TYR 19 H TYR 19 3.067 0.741 1.703 150 HA TYR 19 HA TYR 19 5.779 -0.007 1.990 151 HB2 TYR 19 HB2 TYR 19 5.115 1.843 0.557 152 HB3 TYR 19 HB3 TYR 19 4.527 2.737 1.951 153 HD1 TYR 19 HD1 TYR 19 7.566 1.474 0.276 154 HD2 TYR 19 HD2 TYR 19 6.000 3.983 3.334 155 HE1 TYR 19 HE1 TYR 19 9.783 2.501 0.564 156 HE2 TYR 19 HE2 TYR 19 8.211 5.016 3.629 157 HH TYR 19 HH TYR 19 10.567 4.468 3.216 158 H ARG 20 H ARG 20 3.996 2.371 4.019 159 HA ARG 20 HA ARG 20 5.853 2.474 5.998 160 HB2 ARG 20 HB2 ARG 20 4.040 3.208 7.524 161 HB3 ARG 20 HB3 ARG 20 4.013 4.012 5.962 162 HG2 ARG 20 HG2 ARG 20 1.834 3.545 6.033 163 HG3 ARG 20 HG3 ARG 20 2.340 1.945 5.491 164 HD2 ARG 20 HD2 ARG 20 0.841 1.696 7.355 165 HD3 ARG 20 HD3 ARG 20 2.466 1.235 7.860 166 HE ARG 20 HE ARG 20 2.063 3.945 8.462 167 HH11 ARG 20 HH11 ARG 20 0.971 0.790 9.461 168 HH12 ARG 20 HH12 ARG 20 0.632 1.280 11.087 169 HH21 ARG 20 HH21 ARG 20 1.618 4.600 10.601 170 HH22 ARG 20 HH22 ARG 20 0.999 3.445 11.735 171 H GLU 21 H GLU 21 2.946 0.417 6.364 172 HA GLU 21 HA GLU 21 3.726 -1.011 8.395 173 HB2 GLU 21 HB2 GLU 21 1.579 -1.360 7.219 174 HB3 GLU 21 HB3 GLU 21 2.418 -2.331 6.014 175 HG2 GLU 21 HG2 GLU 21 1.307 -3.731 7.657 176 HG3 GLU 21 HG3 GLU 21 3.052 -3.935 7.724 177 H HIS 22 H HIS 22 5.282 -1.226 5.348 178 HA HIS 22 HA HIS 22 6.418 -3.873 5.787 179 HB2 HIS 22 HB2 HIS 22 6.002 -3.302 3.496 180 HB3 HIS 22 HB3 HIS 22 6.876 -1.785 3.652 181 HD1 HIS 22 HD1 HIS 22 7.297 -5.244 2.645 182 HD2 HIS 22 HD2 HIS 22 9.763 -2.214 4.062 183 HE1 HIS 22 HE1 HIS 22 9.638 -5.946 2.053 184 HE2 HIS 22 HE2 HIS 22 11.102 -4.058 2.843 185 H LEU 23 H LEU 23 7.411 -0.468 5.789 186 HA LEU 23 HA LEU 23 10.042 -0.896 6.575 187 HB2 LEU 23 HB2 LEU 23 8.181 1.438 6.789 188 HB3 LEU 23 HB3 LEU 23 9.769 1.515 7.529 189 HG LEU 23 HG LEU 23 10.722 0.940 5.265 190 HD11 LEU 23 HD11 LEU 23 9.360 1.344 3.314 191 HD12 LEU 23 HD12 LEU 23 7.958 1.671 4.332 192 HD13 LEU 23 HD13 LEU 23 8.654 0.052 4.285 193 HD21 LEU 23 HD21 LEU 23 9.193 3.518 5.559 194 HD22 LEU 23 HD22 LEU 23 10.529 3.239 4.443 195 HD23 LEU 23 HD23 LEU 23 10.810 3.189 6.182 196 H ASN 24 H ASN 24 7.393 -1.713 8.301 197 HA ASN 24 HA ASN 24 7.913 -0.722 10.902 198 HB2 ASN 24 HB2 ASN 24 6.193 -2.824 9.724 199 HB3 ASN 24 HB3 ASN 24 6.611 -3.006 11.425 200 HD21 ASN 24 HD21 ASN 24 5.859 -1.556 12.916 201 HD22 ASN 24 HD22 ASN 24 4.627 -0.400 12.550 202 HA PRO 25 HA PRO 25 11.583 -3.307 11.509 203 HB2 PRO 25 HB2 PRO 25 11.651 -1.892 14.087 204 HB3 PRO 25 HB3 PRO 25 12.875 -1.971 12.820 205 HG2 PRO 25 HG2 PRO 25 11.473 0.273 13.305 206 HG3 PRO 25 HG3 PRO 25 11.995 -0.177 11.670 207 HD2 PRO 25 HD2 PRO 25 9.295 -0.446 12.937 208 HD3 PRO 25 HD3 PRO 25 9.725 0.025 11.282 209 H ASN 26 H ASN 26 8.889 -2.712 13.662 210 HA ASN 26 HA ASN 26 9.486 -5.191 15.106 211 HB2 ASN 26 HB2 ASN 26 8.047 -2.706 16.001 212 HB3 ASN 26 HB3 ASN 26 7.862 -4.238 16.845 213 HD21 ASN 26 HD21 ASN 26 9.614 -5.098 17.970 214 HD22 ASN 26 HD22 ASN 26 10.988 -4.140 18.395 215 H GLY 27 H GLY 27 7.353 -3.559 13.044 216 HA2 GLY 27 HA2 GLY 27 5.031 -5.220 13.681 217 HA3 GLY 27 HA3 GLY 27 5.080 -3.917 12.502 218 H HIS 28 H HIS 28 3.891 -5.752 11.347 219 HA HIS 28 HA HIS 28 5.657 -7.817 10.276 220 HB2 HIS 28 HB2 HIS 28 2.703 -7.325 9.836 221 HB3 HIS 28 HB3 HIS 28 3.614 -8.687 9.189 222 HD1 HIS 28 HD1 HIS 28 3.970 -10.670 10.707 223 HD2 HIS 28 HD2 HIS 28 2.357 -7.392 12.686 224 HE1 HIS 28 HE1 HIS 28 3.314 -11.515 12.983 225 HE2 HIS 28 HE2 HIS 28 2.269 -9.533 14.135 226 H HIS 29 H HIS 29 6.272 -7.929 8.146 227 HA HIS 29 HA HIS 29 6.312 -5.444 6.698 228 HB2 HIS 29 HB2 HIS 29 7.316 -8.174 5.863 229 HB3 HIS 29 HB3 HIS 29 7.723 -6.640 5.103 230 HD1 HIS 29 HD1 HIS 29 8.383 -8.663 8.197 231 HD2 HIS 29 HD2 HIS 29 9.716 -5.178 6.368 232 HE1 HIS 29 HE1 HIS 29 10.448 -7.986 9.463 233 HE2 HIS 29 HE2 HIS 29 11.279 -5.916 8.292 234 H PHE 30 H PHE 30 3.686 -6.523 7.050 235 HA PHE 30 HA PHE 30 2.756 -6.490 4.372 236 HB2 PHE 30 HB2 PHE 30 1.601 -8.710 4.420 237 HB3 PHE 30 HB3 PHE 30 3.350 -8.822 4.310 238 HD1 PHE 30 HD1 PHE 30 0.445 -9.248 6.518 239 HD2 PHE 30 HD2 PHE 30 4.635 -9.826 6.053 240 HE1 PHE 30 HE1 PHE 30 0.455 -10.720 8.489 241 HE2 PHE 30 HE2 PHE 30 4.653 -11.299 8.025 242 HZ PHE 30 HZ PHE 30 2.561 -11.747 9.245 243 H LEU 31 H LEU 31 0.292 -7.047 4.348 244 HA LEU 31 HA LEU 31 -1.039 -6.551 6.907 245 HB2 LEU 31 HB2 LEU 31 -1.121 -4.862 4.431 246 HB3 LEU 31 HB3 LEU 31 -2.483 -4.899 5.529 247 HG LEU 31 HG LEU 31 0.316 -4.081 6.284 248 HD11 LEU 31 HD11 LEU 31 -0.590 -1.814 6.383 249 HD12 LEU 31 HD12 LEU 31 -2.135 -2.406 5.775 250 HD13 LEU 31 HD13 LEU 31 -0.699 -2.484 4.755 251 HD21 LEU 31 HD21 LEU 31 -2.280 -3.946 7.815 252 HD22 LEU 31 HD22 LEU 31 -0.733 -3.288 8.351 253 HD23 LEU 31 HD23 LEU 31 -0.929 -5.030 8.151 254 H THR 32 H THR 32 -3.235 -7.146 6.965 255 HA THR 32 HA THR 32 -3.969 -9.147 4.978 256 HB THR 32 HB THR 32 -5.805 -9.723 6.513 257 HG1 THR 32 HG1 THR 32 -5.132 -8.380 8.688 258 HG21 THR 32 HG21 THR 32 -4.442 -10.536 8.388 259 HG22 THR 32 HG22 THR 32 -3.130 -9.464 7.895 260 HG23 THR 32 HG23 THR 32 -3.632 -10.787 6.842 261 H LYS 33 H LYS 33 -6.302 -9.154 4.217 262 HA LYS 33 HA LYS 33 -6.758 -6.797 2.726 263 HB2 LYS 33 HB2 LYS 33 -7.690 -9.355 2.591 264 HB3 LYS 33 HB3 LYS 33 -9.100 -8.507 3.212 265 HG2 LYS 33 HG2 LYS 33 -7.599 -7.846 0.683 266 HG3 LYS 33 HG3 LYS 33 -9.170 -8.641 0.792 267 HD2 LYS 33 HD2 LYS 33 -10.142 -6.644 1.775 268 HD3 LYS 33 HD3 LYS 33 -8.566 -5.851 1.776 269 HE2 LYS 33 HE2 LYS 33 -9.911 -5.076 -0.098 270 HE3 LYS 33 HE3 LYS 33 -8.507 -5.975 -0.670 271 HZ1 LYS 33 HZ1 LYS 33 -10.504 -6.593 -1.875 272 HZ2 LYS 33 HZ2 LYS 33 -11.267 -7.049 -0.436 273 HZ3 LYS 33 HZ3 LYS 33 -9.920 -7.911 -0.988 274 H GLU 34 H GLU 34 -8.027 -7.937 5.812 275 HA GLU 34 HA GLU 34 -9.908 -5.843 6.059 276 HB2 GLU 34 HB2 GLU 34 -10.114 -6.593 8.399 277 HB3 GLU 34 HB3 GLU 34 -10.192 -7.929 7.260 278 HG2 GLU 34 HG2 GLU 34 -7.863 -8.477 7.742 279 HG3 GLU 34 HG3 GLU 34 -7.785 -7.136 8.884 280 H GLU 35 H GLU 35 -6.516 -6.049 6.898 281 HA GLU 35 HA GLU 35 -6.657 -3.840 8.799 282 HB2 GLU 35 HB2 GLU 35 -4.321 -5.418 7.709 283 HB3 GLU 35 HB3 GLU 35 -4.164 -4.069 8.825 284 HG2 GLU 35 HG2 GLU 35 -5.447 -5.279 10.497 285 HG3 GLU 35 HG3 GLU 35 -5.658 -6.624 9.377 286 H LEU 36 H LEU 36 -6.175 -4.506 5.477 287 HA LEU 36 HA LEU 36 -4.579 -2.284 4.720 288 HB2 LEU 36 HB2 LEU 36 -6.510 -4.033 3.218 289 HB3 LEU 36 HB3 LEU 36 -5.558 -2.779 2.462 290 HG LEU 36 HG LEU 36 -4.360 -5.075 3.970 291 HD11 LEU 36 HD11 LEU 36 -5.709 -5.669 1.872 292 HD12 LEU 36 HD12 LEU 36 -4.052 -6.259 1.991 293 HD13 LEU 36 HD13 LEU 36 -4.419 -4.858 0.986 294 HD21 LEU 36 HD21 LEU 36 -3.172 -3.073 2.066 295 HD22 LEU 36 HD22 LEU 36 -2.312 -4.421 2.809 296 HD23 LEU 36 HD23 LEU 36 -2.939 -3.114 3.813 297 H LEU 37 H LEU 37 -8.064 -2.882 4.535 298 HA LEU 37 HA LEU 37 -8.910 -0.512 3.414 299 HB2 LEU 37 HB2 LEU 37 -10.137 -2.500 5.246 300 HB3 LEU 37 HB3 LEU 37 -10.959 -0.964 5.068 301 HG LEU 37 HG LEU 37 -11.890 -2.634 3.557 302 HD11 LEU 37 HD11 LEU 37 -11.910 -0.301 2.856 303 HD12 LEU 37 HD12 LEU 37 -11.732 -1.380 1.472 304 HD13 LEU 37 HD13 LEU 37 -10.332 -0.508 2.096 305 HD21 LEU 37 HD21 LEU 37 -10.540 -3.498 1.686 306 HD22 LEU 37 HD22 LEU 37 -9.962 -4.055 3.255 307 HD23 LEU 37 HD23 LEU 37 -9.106 -2.767 2.408 308 H GLN 38 H GLN 38 -8.372 -1.191 6.870 309 HA GLN 38 HA GLN 38 -9.219 1.423 7.722 310 HB2 GLN 38 HB2 GLN 38 -7.603 -0.686 9.167 311 HB3 GLN 38 HB3 GLN 38 -8.281 0.758 9.904 312 HG2 GLN 38 HG2 GLN 38 -10.530 -0.027 9.390 313 HG3 GLN 38 HG3 GLN 38 -9.856 -1.471 8.636 314 HE21 GLN 38 HE21 GLN 38 -10.461 0.193 11.625 315 HE22 GLN 38 HE22 GLN 38 -10.156 -1.149 12.670 316 H ARG 39 H ARG 39 -6.136 -0.200 7.132 317 HA ARG 39 HA ARG 39 -4.387 1.715 7.822 318 HB2 ARG 39 HB2 ARG 39 -4.150 -0.650 6.639 319 HB3 ARG 39 HB3 ARG 39 -3.882 0.361 5.226 320 HG2 ARG 39 HG2 ARG 39 -1.758 -0.035 6.049 321 HG3 ARG 39 HG3 ARG 39 -2.158 1.574 6.648 322 HD2 ARG 39 HD2 ARG 39 -2.522 -0.956 8.242 323 HD3 ARG 39 HD3 ARG 39 -1.091 0.063 8.333 324 HE ARG 39 HE ARG 39 -3.185 1.754 8.817 325 HH11 ARG 39 HH11 ARG 39 -2.000 -1.199 10.238 326 HH12 ARG 39 HH12 ARG 39 -2.573 -0.815 11.827 327 HH21 ARG 39 HH21 ARG 39 -3.941 2.267 10.905 328 HH22 ARG 39 HH22 ARG 39 -3.676 1.155 12.206 329 H CYS 40 H CYS 40 -5.986 1.489 4.690 330 HA CYS 40 HA CYS 40 -4.736 3.664 3.404 331 HB2 CYS 40 HB2 CYS 40 -5.952 2.203 2.008 332 HB3 CYS 40 HB3 CYS 40 -7.390 2.298 3.015 333 HG CYS 40 HG CYS 40 -6.306 5.105 1.444 334 H ALA 41 H ALA 41 -7.379 3.466 5.685 335 HA ALA 41 HA ALA 41 -8.508 5.988 5.337 336 HB1 ALA 41 HB1 ALA 41 -9.433 5.738 7.551 337 HB2 ALA 41 HB2 ALA 41 -8.256 4.483 7.935 338 HB3 ALA 41 HB3 ALA 41 -9.488 4.189 6.708 339 H GLN 42 H GLN 42 -5.363 5.732 5.743 340 HA GLN 42 HA GLN 42 -5.129 7.756 7.838 341 HB2 GLN 42 HB2 GLN 42 -3.018 5.763 6.972 342 HB3 GLN 42 HB3 GLN 42 -2.757 7.092 8.092 343 HG2 GLN 42 HG2 GLN 42 -4.384 6.098 9.633 344 HG3 GLN 42 HG3 GLN 42 -4.604 4.753 8.514 345 HE21 GLN 42 HE21 GLN 42 -2.467 6.275 10.790 346 HE22 GLN 42 HE22 GLN 42 -1.366 4.953 10.951 347 H LYS 43 H LYS 43 -4.496 6.605 4.648 348 HA LYS 43 HA LYS 43 -2.683 8.363 3.598 349 HB2 LYS 43 HB2 LYS 43 -3.769 6.449 2.426 350 HB3 LYS 43 HB3 LYS 43 -5.204 7.444 2.218 351 HG2 LYS 43 HG2 LYS 43 -4.331 8.531 0.485 352 HG3 LYS 43 HG3 LYS 43 -2.772 8.740 1.287 353 HD2 LYS 43 HD2 LYS 43 -2.231 6.395 0.763 354 HD3 LYS 43 HD3 LYS 43 -3.752 6.266 -0.125 355 HE2 LYS 43 HE2 LYS 43 -1.458 8.117 -0.760 356 HE3 LYS 43 HE3 LYS 43 -1.905 6.661 -1.648 357 HZ1 LYS 43 HZ1 LYS 43 -3.584 9.095 -1.358 358 HZ2 LYS 43 HZ2 LYS 43 -4.020 7.697 -2.205 359 HZ3 LYS 43 HZ3 LYS 43 -2.727 8.644 -2.746 360 H SER 44 H SER 44 -6.166 8.841 3.994 361 HA SER 44 HA SER 44 -5.826 11.703 4.121 362 HB2 SER 44 HB2 SER 44 -5.977 11.423 1.712 363 HB3 SER 44 HB3 SER 44 -7.417 10.421 1.886 364 HG SER 44 HG SER 44 -7.310 13.030 1.613 365 HA PRO 45 HA PRO 45 -9.095 11.572 7.076 366 HB2 PRO 45 HB2 PRO 45 -10.731 13.571 5.883 367 HB3 PRO 45 HB3 PRO 45 -9.581 13.773 7.205 368 HG2 PRO 45 HG2 PRO 45 -9.252 14.321 4.309 369 HG3 PRO 45 HG3 PRO 45 -8.476 15.099 5.700 370 HD2 PRO 45 HD2 PRO 45 -7.131 13.409 4.115 371 HD3 PRO 45 HD3 PRO 45 -6.850 13.450 5.869 372 H ARG 46 H ARG 46 -10.720 12.436 4.017 373 HA ARG 46 HA ARG 46 -12.254 9.931 4.238 374 HB2 ARG 46 HB2 ARG 46 -13.214 12.643 3.307 375 HB3 ARG 46 HB3 ARG 46 -14.180 11.174 3.319 376 HG2 ARG 46 HG2 ARG 46 -13.965 11.061 5.758 377 HG3 ARG 46 HG3 ARG 46 -13.024 12.554 5.734 378 HD2 ARG 46 HD2 ARG 46 -15.875 12.237 4.803 379 HD3 ARG 46 HD3 ARG 46 -15.356 12.987 6.311 380 HE ARG 46 HE ARG 46 -14.081 14.298 4.197 381 HH11 ARG 46 HH11 ARG 46 -17.288 13.860 5.490 382 HH12 ARG 46 HH12 ARG 46 -17.866 15.389 4.921 383 HH21 ARG 46 HH21 ARG 46 -14.834 16.314 3.443 384 HH22 ARG 46 HH22 ARG 46 -16.471 16.784 3.757 385 H VAL 47 H VAL 47 -12.173 8.619 2.537 386 HA VAL 47 HA VAL 47 -11.523 9.760 -0.095 387 HB VAL 47 HB VAL 47 -10.163 7.785 -0.627 388 HG11 VAL 47 HG11 VAL 47 -9.050 9.792 0.169 389 HG12 VAL 47 HG12 VAL 47 -8.209 8.354 0.751 390 HG13 VAL 47 HG13 VAL 47 -9.254 9.266 1.840 391 HG21 VAL 47 HG21 VAL 47 -11.180 6.186 0.895 392 HG22 VAL 47 HG22 VAL 47 -10.547 7.074 2.281 393 HG23 VAL 47 HG23 VAL 47 -9.440 6.270 1.169 394 H ALA 48 H ALA 48 -13.820 8.204 1.632 395 HA ALA 48 HA ALA 48 -14.780 6.831 -0.778 396 HB1 ALA 48 HB1 ALA 48 -14.211 5.360 1.094 397 HB2 ALA 48 HB2 ALA 48 -15.929 5.288 0.702 398 HB3 ALA 48 HB3 ALA 48 -15.382 6.203 2.107 399 HA PRO 49 HA PRO 49 -18.169 9.838 0.383 400 HB2 PRO 49 HB2 PRO 49 -17.580 12.088 -0.902 401 HB3 PRO 49 HB3 PRO 49 -16.782 11.704 0.628 402 HG2 PRO 49 HG2 PRO 49 -15.731 11.532 -2.152 403 HG3 PRO 49 HG3 PRO 49 -14.884 11.948 -0.654 404 HD2 PRO 49 HD2 PRO 49 -14.919 9.430 -1.936 405 HD3 PRO 49 HD3 PRO 49 -14.286 9.796 -0.321 406 H GLY 50 H GLY 50 -16.777 8.523 -2.340 407 HA2 GLY 50 HA2 GLY 50 -18.940 7.864 -3.791 408 HA3 GLY 50 HA3 GLY 50 -18.639 9.515 -4.322 409 H SER 51 H SER 51 -15.758 8.221 -3.405 410 HA SER 51 HA SER 51 -14.907 7.866 -6.156 411 HB2 SER 51 HB2 SER 51 -13.393 7.911 -3.537 412 HB3 SER 51 HB3 SER 51 -12.624 7.689 -5.106 413 HG SER 51 HG SER 51 -12.663 9.772 -5.289 414 H ALA 52 H ALA 52 -14.712 5.996 -3.129 415 HA ALA 52 HA ALA 52 -14.545 3.768 -2.714 416 HB1 ALA 52 HB1 ALA 52 -15.796 2.253 -4.153 417 HB2 ALA 52 HB2 ALA 52 -15.912 3.505 -5.390 418 HB3 ALA 52 HB3 ALA 52 -16.719 3.723 -3.837 419 HA PRO 53 HA PRO 53 -10.662 3.508 -5.242 420 HB2 PRO 53 HB2 PRO 53 -9.645 2.504 -2.656 421 HB3 PRO 53 HB3 PRO 53 -8.992 3.762 -3.709 422 HG2 PRO 53 HG2 PRO 53 -10.177 4.370 -1.389 423 HG3 PRO 53 HG3 PRO 53 -10.357 5.402 -2.821 424 HD2 PRO 53 HD2 PRO 53 -12.272 3.411 -1.663 425 HD3 PRO 53 HD3 PRO 53 -12.594 5.019 -2.348 426 HA PRO 54 HA PRO 54 -11.672 -0.895 -5.658 427 HB2 PRO 54 HB2 PRO 54 -10.083 -0.755 -8.103 428 HB3 PRO 54 HB3 PRO 54 -11.803 -1.096 -7.912 429 HG2 PRO 54 HG2 PRO 54 -10.884 1.196 -9.020 430 HG3 PRO 54 HG3 PRO 54 -12.398 1.113 -8.102 431 HD2 PRO 54 HD2 PRO 54 -9.706 2.098 -7.234 432 HD3 PRO 54 HD3 PRO 54 -11.315 2.776 -6.905 433 H TRP 55 H TRP 55 -10.512 -2.256 -4.437 434 HA TRP 55 HA TRP 55 -7.616 -2.174 -4.587 435 HB2 TRP 55 HB2 TRP 55 -9.571 -3.233 -2.602 436 HB3 TRP 55 HB3 TRP 55 -7.937 -3.898 -2.625 437 HD1 TRP 55 HD1 TRP 55 -9.343 -0.287 -2.821 438 HE1 TRP 55 HE1 TRP 55 -7.963 1.195 -1.236 439 HE3 TRP 55 HE3 TRP 55 -6.165 -3.836 -0.935 440 HZ2 TRP 55 HZ2 TRP 55 -5.813 0.897 0.562 441 HZ3 TRP 55 HZ3 TRP 55 -4.498 -3.137 0.715 442 HH2 TRP 55 HH2 TRP 55 -4.330 -0.831 1.456 443 HA PRO 56 HA PRO 56 -8.969 -6.785 -5.937 444 HB2 PRO 56 HB2 PRO 56 -10.233 -5.611 -8.376 445 HB3 PRO 56 HB3 PRO 56 -10.626 -7.104 -7.514 446 HG2 PRO 56 HG2 PRO 56 -12.161 -4.951 -7.247 447 HG3 PRO 56 HG3 PRO 56 -11.805 -5.989 -5.853 448 HD2 PRO 56 HD2 PRO 56 -10.702 -3.308 -6.553 449 HD3 PRO 56 HD3 PRO 56 -11.060 -4.002 -4.959 450 H ALA 57 H ALA 57 -7.943 -3.856 -7.487 451 HA ALA 57 HA ALA 57 -6.462 -4.934 -9.625 452 HB1 ALA 57 HB1 ALA 57 -5.343 -2.771 -9.706 453 HB2 ALA 57 HB2 ALA 57 -5.988 -2.367 -8.115 454 HB3 ALA 57 HB3 ALA 57 -7.081 -2.570 -9.484 455 H LEU 58 H LEU 58 -5.682 -4.364 -6.252 456 HA LEU 58 HA LEU 58 -3.017 -4.633 -6.141 457 HB2 LEU 58 HB2 LEU 58 -4.290 -4.324 -4.146 458 HB3 LEU 58 HB3 LEU 58 -5.081 -5.875 -4.335 459 HG LEU 58 HG LEU 58 -3.086 -7.058 -3.740 460 HD11 LEU 58 HD11 LEU 58 -0.981 -5.976 -3.261 461 HD12 LEU 58 HD12 LEU 58 -1.674 -4.398 -3.632 462 HD13 LEU 58 HD13 LEU 58 -1.480 -5.597 -4.910 463 HD21 LEU 58 HD21 LEU 58 -4.359 -6.291 -1.866 464 HD22 LEU 58 HD22 LEU 58 -3.600 -4.701 -1.939 465 HD23 LEU 58 HD23 LEU 58 -2.648 -6.111 -1.480 466 H ARG 59 H ARG 59 -5.232 -7.442 -6.211 467 HA ARG 59 HA ARG 59 -3.428 -9.427 -6.351 468 HB2 ARG 59 HB2 ARG 59 -5.949 -9.257 -8.019 469 HB3 ARG 59 HB3 ARG 59 -5.068 -10.736 -7.659 470 HG2 ARG 59 HG2 ARG 59 -5.538 -10.453 -5.285 471 HG3 ARG 59 HG3 ARG 59 -6.405 -8.955 -5.632 472 HD2 ARG 59 HD2 ARG 59 -7.945 -10.829 -5.334 473 HD3 ARG 59 HD3 ARG 59 -8.022 -10.187 -6.974 474 HE ARG 59 HE ARG 59 -6.186 -12.300 -6.932 475 HH11 ARG 59 HH11 ARG 59 -9.608 -11.749 -6.577 476 HH12 ARG 59 HH12 ARG 59 -10.053 -13.313 -7.174 477 HH21 ARG 59 HH21 ARG 59 -6.762 -14.361 -7.719 478 HH22 ARG 59 HH22 ARG 59 -8.434 -14.798 -7.822 479 H SER 60 H SER 60 -4.693 -7.737 -9.215 480 HA SER 60 HA SER 60 -3.054 -8.780 -11.077 481 HB2 SER 60 HB2 SER 60 -4.880 -7.227 -11.609 482 HB3 SER 60 HB3 SER 60 -3.941 -5.887 -10.953 483 HG SER 60 HG SER 60 -3.734 -5.990 -13.210 484 H LEU 61 H LEU 61 -2.152 -6.489 -8.624 485 HA LEU 61 HA LEU 61 0.215 -5.513 -9.916 486 HB2 LEU 61 HB2 LEU 61 -0.959 -5.287 -7.193 487 HB3 LEU 61 HB3 LEU 61 0.770 -5.036 -7.357 488 HG LEU 61 HG LEU 61 0.037 -3.396 -9.278 489 HD11 LEU 61 HD11 LEU 61 -2.325 -3.945 -9.210 490 HD12 LEU 61 HD12 LEU 61 -2.064 -2.260 -8.758 491 HD13 LEU 61 HD13 LEU 61 -2.405 -3.464 -7.516 492 HD21 LEU 61 HD21 LEU 61 0.003 -1.577 -7.632 493 HD22 LEU 61 HD22 LEU 61 1.278 -2.752 -7.307 494 HD23 LEU 61 HD23 LEU 61 -0.198 -2.764 -6.343 495 H LEU 62 H LEU 62 -0.605 -8.224 -7.847 496 HA LEU 62 HA LEU 62 1.949 -9.021 -7.017 497 HB2 LEU 62 HB2 LEU 62 -0.338 -10.808 -7.849 498 HB3 LEU 62 HB3 LEU 62 1.007 -11.260 -6.828 499 HG LEU 62 HG LEU 62 -0.860 -9.070 -5.984 500 HD11 LEU 62 HD11 LEU 62 -2.232 -11.031 -6.569 501 HD12 LEU 62 HD12 LEU 62 -2.231 -10.703 -4.837 502 HD13 LEU 62 HD13 LEU 62 -1.253 -12.019 -5.486 503 HD21 LEU 62 HD21 LEU 62 1.267 -9.421 -4.772 504 HD22 LEU 62 HD22 LEU 62 0.771 -11.075 -4.428 505 HD23 LEU 62 HD23 LEU 62 -0.147 -9.724 -3.766 506 H HIS 63 H HIS 63 0.119 -9.590 -9.951 507 HA HIS 63 HA HIS 63 1.881 -11.273 -11.265 508 HB2 HIS 63 HB2 HIS 63 -0.435 -10.809 -11.980 509 HB3 HIS 63 HB3 HIS 63 0.047 -9.188 -12.465 510 HD1 HIS 63 HD1 HIS 63 0.087 -12.726 -13.574 511 HD2 HIS 63 HD2 HIS 63 1.634 -9.077 -14.824 512 HE1 HIS 63 HE1 HIS 63 0.853 -13.096 -15.940 513 HE2 HIS 63 HE2 HIS 63 1.701 -10.851 -16.706 514 H ARG 64 H ARG 64 1.835 -7.746 -11.068 515 HA ARG 64 HA ARG 64 3.991 -7.422 -12.895 516 HB2 ARG 64 HB2 ARG 64 2.881 -5.486 -10.857 517 HB3 ARG 64 HB3 ARG 64 3.943 -5.074 -12.195 518 HG2 ARG 64 HG2 ARG 64 2.182 -5.903 -13.751 519 HG3 ARG 64 HG3 ARG 64 1.117 -6.087 -12.358 520 HD2 ARG 64 HD2 ARG 64 1.349 -3.698 -11.872 521 HD3 ARG 64 HD3 ARG 64 2.405 -3.518 -13.273 522 HE ARG 64 HE ARG 64 -0.292 -4.554 -13.707 523 HH11 ARG 64 HH11 ARG 64 1.983 -1.928 -13.971 524 HH12 ARG 64 HH12 ARG 64 1.026 -1.043 -15.111 525 HH21 ARG 64 HH21 ARG 64 -1.559 -3.395 -15.208 526 HH22 ARG 64 HH22 ARG 64 -0.987 -1.876 -15.814 527 H ASN 65 H ASN 65 3.869 -8.507 -9.753 528 HA ASN 65 HA ASN 65 5.521 -9.181 -8.338 529 HB2 ASN 65 HB2 ASN 65 7.424 -8.030 -10.386 530 HB3 ASN 65 HB3 ASN 65 7.894 -8.984 -8.983 531 HD21 ASN 65 HD21 ASN 65 5.535 -10.715 -9.228 532 HD22 ASN 65 HD22 ASN 65 5.874 -11.778 -10.549 533 H LEU 66 H LEU 66 4.269 -6.457 -8.448 534 HA LEU 66 HA LEU 66 6.320 -4.806 -7.170 535 HB2 LEU 66 HB2 LEU 66 3.436 -4.053 -7.477 536 HB3 LEU 66 HB3 LEU 66 4.815 -3.000 -7.276 537 HG LEU 66 HG LEU 66 3.852 -4.381 -9.751 538 HD11 LEU 66 HD11 LEU 66 3.149 -2.087 -9.256 539 HD12 LEU 66 HD12 LEU 66 4.153 -2.171 -10.703 540 HD13 LEU 66 HD13 LEU 66 4.841 -1.594 -9.184 541 HD21 LEU 66 HD21 LEU 66 6.208 -5.017 -9.571 542 HD22 LEU 66 HD22 LEU 66 6.645 -3.326 -9.337 543 HD23 LEU 66 HD23 LEU 66 5.955 -3.851 -10.870 544 H VAL 67 H VAL 67 3.649 -6.822 -6.441 545 HA VAL 67 HA VAL 67 4.031 -6.287 -3.574 546 HB VAL 67 HB VAL 67 1.601 -6.970 -3.309 547 HG11 VAL 67 HG11 VAL 67 2.372 -4.646 -3.112 548 HG12 VAL 67 HG12 VAL 67 0.759 -4.743 -3.816 549 HG13 VAL 67 HG13 VAL 67 2.154 -4.436 -4.849 550 HG21 VAL 67 HG21 VAL 67 1.456 -6.322 -6.241 551 HG22 VAL 67 HG22 VAL 67 0.140 -6.835 -5.183 552 HG23 VAL 67 HG23 VAL 67 1.438 -7.958 -5.588 553 H LEU 68 H LEU 68 3.144 -8.193 -2.237 554 HA LEU 68 HA LEU 68 3.796 -10.732 -3.593 555 HB2 LEU 68 HB2 LEU 68 5.410 -9.557 -1.803 556 HB3 LEU 68 HB3 LEU 68 4.355 -10.414 -0.699 557 HG LEU 68 HG LEU 68 5.915 -11.731 -2.924 558 HD11 LEU 68 HD11 LEU 68 6.480 -11.611 0.035 559 HD12 LEU 68 HD12 LEU 68 7.410 -10.819 -1.236 560 HD13 LEU 68 HD13 LEU 68 7.362 -12.579 -1.146 561 HD21 LEU 68 HD21 LEU 68 4.331 -12.871 -0.623 562 HD22 LEU 68 HD22 LEU 68 5.336 -13.804 -1.732 563 HD23 LEU 68 HD23 LEU 68 3.910 -12.960 -2.334 564 H ARG 69 H ARG 69 2.441 -12.427 -3.225 565 HA ARG 69 HA ARG 69 0.103 -11.896 -1.520 566 HB2 ARG 69 HB2 ARG 69 -0.870 -13.887 -2.834 567 HB3 ARG 69 HB3 ARG 69 -0.763 -12.326 -3.635 568 HG2 ARG 69 HG2 ARG 69 1.000 -12.993 -4.980 569 HG3 ARG 69 HG3 ARG 69 1.422 -14.345 -3.926 570 HD2 ARG 69 HD2 ARG 69 -0.646 -15.481 -4.557 571 HD3 ARG 69 HD3 ARG 69 -1.075 -14.129 -5.603 572 HE ARG 69 HE ARG 69 1.449 -15.090 -6.357 573 HH11 ARG 69 HH11 ARG 69 -1.897 -16.063 -6.384 574 HH12 ARG 69 HH12 ARG 69 -1.725 -17.072 -7.781 575 HH21 ARG 69 HH21 ARG 69 1.684 -16.416 -8.197 576 HH22 ARG 69 HH22 ARG 69 0.310 -17.273 -8.812 577 H THR 70 H THR 70 -0.601 -13.465 -0.065 578 HA THR 70 HA THR 70 1.260 -15.685 0.390 579 HB THR 70 HB THR 70 -0.256 -14.408 2.638 580 HG1 THR 70 HG1 THR 70 1.842 -13.336 1.144 581 HG21 THR 70 HG21 THR 70 2.141 -16.136 2.287 582 HG22 THR 70 HG22 THR 70 0.869 -16.207 3.510 583 HG23 THR 70 HG23 THR 70 2.140 -14.993 3.628 584 H HIS 71 H HIS 71 0.135 -17.078 2.277 585 HA HIS 71 HA HIS 71 -1.265 -19.054 1.416 586 HB2 HIS 71 HB2 HIS 71 -0.945 -17.805 3.919 587 HB3 HIS 71 HB3 HIS 71 -2.627 -18.290 3.817 588 HD1 HIS 71 HD1 HIS 71 -2.873 -20.972 3.047 589 HD2 HIS 71 HD2 HIS 71 0.686 -19.725 4.792 590 HE1 HIS 71 HE1 HIS 71 -1.753 -23.073 3.860 591 HE2 HIS 71 HE2 HIS 71 0.359 -22.287 4.988 592 H GLN 72 H GLN 72 -3.360 -16.563 2.916 593 HA GLN 72 HA GLN 72 -4.971 -15.354 1.297 594 HB2 GLN 72 HB2 GLN 72 -5.510 -18.261 0.773 595 HB3 GLN 72 HB3 GLN 72 -6.740 -17.031 0.555 596 HG2 GLN 72 HG2 GLN 72 -5.345 -15.892 -1.079 597 HG3 GLN 72 HG3 GLN 72 -4.082 -17.100 -0.854 598 HE21 GLN 72 HE21 GLN 72 -7.225 -16.444 -2.177 599 HE22 GLN 72 HE22 GLN 72 -7.332 -17.860 -3.161 600 HA PRO 73 HA PRO 73 -6.699 -13.720 1.906 601 HB2 PRO 73 HB2 PRO 73 -5.807 -12.671 4.561 602 HB3 PRO 73 HB3 PRO 73 -7.009 -12.019 3.439 603 HG2 PRO 73 HG2 PRO 73 -7.780 -13.316 5.622 604 HG3 PRO 73 HG3 PRO 73 -8.634 -13.546 4.085 605 HD2 PRO 73 HD2 PRO 73 -6.721 -15.355 5.481 606 HD3 PRO 73 HD3 PRO 73 -8.135 -15.756 4.488 607 H ALA 74 H ALA 74 -5.016 -13.265 0.612 608 HA ALA 74 HA ALA 74 -2.401 -14.249 1.168 609 HB1 ALA 74 HB1 ALA 74 -1.827 -13.184 -0.963 610 HB2 ALA 74 HB2 ALA 74 -3.423 -12.437 -1.012 611 HB3 ALA 74 HB3 ALA 74 -3.268 -14.191 -1.100 612 H ARG 75 H ARG 75 -1.235 -13.301 2.710 613 HA ARG 75 HA ARG 75 -1.479 -10.607 3.523 614 HB2 ARG 75 HB2 ARG 75 0.985 -12.363 3.722 615 HB3 ARG 75 HB3 ARG 75 0.598 -10.975 4.727 616 HG2 ARG 75 HG2 ARG 75 -0.964 -12.118 5.956 617 HG3 ARG 75 HG3 ARG 75 -1.311 -13.259 4.655 618 HD2 ARG 75 HD2 ARG 75 0.586 -14.540 5.106 619 HD3 ARG 75 HD3 ARG 75 1.361 -13.239 6.018 620 HE ARG 75 HE ARG 75 -0.984 -13.949 7.352 621 HH11 ARG 75 HH11 ARG 75 2.100 -15.350 6.536 622 HH12 ARG 75 HH12 ARG 75 2.141 -16.386 7.923 623 HH21 ARG 75 HH21 ARG 75 -0.938 -15.309 9.180 624 HH22 ARG 75 HH22 ARG 75 0.414 -16.364 9.426 625 H TYR 76 H TYR 76 -0.908 -8.815 2.378 626 HA TYR 76 HA TYR 76 0.930 -9.164 0.204 627 HB2 TYR 76 HB2 TYR 76 -0.873 -6.862 0.925 628 HB3 TYR 76 HB3 TYR 76 0.104 -6.951 -0.537 629 HD1 TYR 76 HD1 TYR 76 -0.237 -9.146 -1.956 630 HD2 TYR 76 HD2 TYR 76 -3.071 -7.611 0.820 631 HE1 TYR 76 HE1 TYR 76 -2.014 -10.406 -3.091 632 HE2 TYR 76 HE2 TYR 76 -4.862 -8.863 -0.310 633 HH TYR 76 HH TYR 76 -4.245 -11.306 -2.584 634 H SER 77 H SER 77 2.690 -7.946 -0.296 635 HA SER 77 HA SER 77 3.778 -6.149 1.674 636 HB2 SER 77 HB2 SER 77 5.921 -7.332 1.905 637 HB3 SER 77 HB3 SER 77 4.589 -8.314 2.513 638 HG SER 77 HG SER 77 5.294 -9.770 1.186 639 H LEU 78 H LEU 78 5.424 -4.811 0.822 640 HA LEU 78 HA LEU 78 5.357 -4.481 -1.981 641 HB2 LEU 78 HB2 LEU 78 7.018 -3.193 0.169 642 HB3 LEU 78 HB3 LEU 78 7.094 -2.711 -1.509 643 HG LEU 78 HG LEU 78 4.792 -2.411 0.399 644 HD11 LEU 78 HD11 LEU 78 5.043 -0.066 -0.132 645 HD12 LEU 78 HD12 LEU 78 6.316 -0.438 -1.294 646 HD13 LEU 78 HD13 LEU 78 6.581 -0.723 0.426 647 HD21 LEU 78 HD21 LEU 78 3.510 -1.493 -1.473 648 HD22 LEU 78 HD22 LEU 78 3.877 -3.199 -1.716 649 HD23 LEU 78 HD23 LEU 78 4.793 -1.968 -2.584 650 H THR 79 H THR 79 6.537 -5.555 -3.469 651 HA THR 79 HA THR 79 9.010 -6.773 -2.778 652 HB THR 79 HB THR 79 8.694 -6.700 -5.601 653 HG1 THR 79 HG1 THR 79 6.443 -7.677 -5.473 654 HG21 THR 79 HG21 THR 79 8.225 -9.085 -5.340 655 HG22 THR 79 HG22 THR 79 7.923 -8.847 -3.619 656 HG23 THR 79 HG23 THR 79 9.540 -8.596 -4.272 657 HA PRO 80 HA PRO 80 12.272 -4.026 -4.110 658 HB2 PRO 80 HB2 PRO 80 12.163 -5.141 -6.892 659 HB3 PRO 80 HB3 PRO 80 13.568 -4.739 -5.904 660 HG2 PRO 80 HG2 PRO 80 12.789 -7.258 -6.121 661 HG3 PRO 80 HG3 PRO 80 13.320 -6.623 -4.553 662 HD2 PRO 80 HD2 PRO 80 10.582 -7.269 -5.507 663 HD3 PRO 80 HD3 PRO 80 11.250 -7.328 -3.863 664 H GLU 81 H GLU 81 9.914 -4.374 -6.778 665 HA GLU 81 HA GLU 81 10.378 -1.693 -7.708 666 HB2 GLU 81 HB2 GLU 81 8.174 -3.642 -8.389 667 HB3 GLU 81 HB3 GLU 81 8.499 -2.135 -9.229 668 HG2 GLU 81 HG2 GLU 81 10.720 -2.996 -9.854 669 HG3 GLU 81 HG3 GLU 81 10.313 -4.526 -9.078 670 H GLY 82 H GLY 82 7.897 -3.296 -5.722 671 HA2 GLY 82 HA2 GLY 82 6.090 -1.047 -5.733 672 HA3 GLY 82 HA3 GLY 82 6.035 -2.419 -4.648 673 H LEU 83 H LEU 83 8.904 -2.038 -3.963 674 HA LEU 83 HA LEU 83 8.478 -0.374 -1.670 675 HB2 LEU 83 HB2 LEU 83 10.188 -2.420 -2.260 676 HB3 LEU 83 HB3 LEU 83 11.244 -1.035 -2.428 677 HG LEU 83 HG LEU 83 11.427 -1.954 -0.193 678 HD11 LEU 83 HD11 LEU 83 9.950 0.670 -0.217 679 HD12 LEU 83 HD12 LEU 83 11.690 0.444 -0.403 680 HD13 LEU 83 HD13 LEU 83 10.906 0.044 1.126 681 HD21 LEU 83 HD21 LEU 83 9.524 -1.922 1.347 682 HD22 LEU 83 HD22 LEU 83 9.251 -3.006 -0.017 683 HD23 LEU 83 HD23 LEU 83 8.471 -1.424 0.025 684 H GLU 84 H GLU 84 10.735 -0.187 -4.413 685 HA GLU 84 HA GLU 84 11.567 2.359 -4.067 686 HB2 GLU 84 HB2 GLU 84 11.061 0.998 -6.718 687 HB3 GLU 84 HB3 GLU 84 12.040 2.442 -6.505 688 HG2 GLU 84 HG2 GLU 84 13.586 1.197 -5.098 689 HG3 GLU 84 HG3 GLU 84 12.594 -0.243 -5.286 690 H LEU 85 H LEU 85 8.686 1.374 -5.858 691 HA LEU 85 HA LEU 85 8.092 3.977 -6.893 692 HB2 LEU 85 HB2 LEU 85 7.143 1.364 -7.264 693 HB3 LEU 85 HB3 LEU 85 5.803 2.249 -6.563 694 HG LEU 85 HG LEU 85 7.298 3.048 -9.060 695 HD11 LEU 85 HD11 LEU 85 5.263 2.402 -10.240 696 HD12 LEU 85 HD12 LEU 85 4.553 1.848 -8.723 697 HD13 LEU 85 HD13 LEU 85 5.968 1.029 -9.386 698 HD21 LEU 85 HD21 LEU 85 6.410 4.968 -7.848 699 HD22 LEU 85 HD22 LEU 85 4.821 4.206 -7.788 700 HD23 LEU 85 HD23 LEU 85 5.509 4.690 -9.339 701 H ALA 86 H ALA 86 7.071 2.014 -4.120 702 HA ALA 86 HA ALA 86 4.997 3.744 -3.215 703 HB1 ALA 86 HB1 ALA 86 5.195 1.419 -2.463 704 HB2 ALA 86 HB2 ALA 86 5.155 2.550 -1.112 705 HB3 ALA 86 HB3 ALA 86 6.685 1.829 -1.613 706 H GLN 87 H GLN 87 8.473 3.626 -2.728 707 HA GLN 87 HA GLN 87 8.654 5.405 -0.533 708 HB2 GLN 87 HB2 GLN 87 10.454 3.892 -1.788 709 HB3 GLN 87 HB3 GLN 87 10.745 5.386 -2.668 710 HG2 GLN 87 HG2 GLN 87 10.908 5.042 0.316 711 HG3 GLN 87 HG3 GLN 87 12.276 5.117 -0.793 712 HE21 GLN 87 HE21 GLN 87 12.802 7.084 -1.766 713 HE22 GLN 87 HE22 GLN 87 12.232 8.591 -1.143 714 H LYS 88 H LYS 88 8.628 5.841 -4.027 715 HA LYS 88 HA LYS 88 8.793 8.584 -4.065 716 HB2 LYS 88 HB2 LYS 88 7.225 6.979 -6.075 717 HB3 LYS 88 HB3 LYS 88 8.159 8.443 -6.339 718 HG2 LYS 88 HG2 LYS 88 10.224 7.236 -5.953 719 HG3 LYS 88 HG3 LYS 88 9.320 5.777 -5.573 720 HD2 LYS 88 HD2 LYS 88 8.360 5.878 -7.890 721 HD3 LYS 88 HD3 LYS 88 9.513 7.171 -8.232 722 HE2 LYS 88 HE2 LYS 88 11.364 5.659 -7.667 723 HE3 LYS 88 HE3 LYS 88 10.208 4.365 -7.343 724 HZ1 LYS 88 HZ1 LYS 88 9.501 4.477 -9.655 725 HZ2 LYS 88 HZ2 LYS 88 11.159 4.163 -9.550 726 HZ3 LYS 88 HZ3 LYS 88 10.616 5.711 -9.962 727 H LEU 89 H LEU 89 5.927 6.530 -3.834 728 HA LEU 89 HA LEU 89 3.961 8.539 -4.273 729 HB2 LEU 89 HB2 LEU 89 3.993 5.838 -2.957 730 HB3 LEU 89 HB3 LEU 89 2.572 6.857 -2.886 731 HG LEU 89 HG LEU 89 2.374 6.807 -5.304 732 HD11 LEU 89 HD11 LEU 89 4.747 4.968 -5.324 733 HD12 LEU 89 HD12 LEU 89 4.792 6.664 -5.805 734 HD13 LEU 89 HD13 LEU 89 3.811 5.516 -6.715 735 HD21 LEU 89 HD21 LEU 89 2.760 4.058 -4.138 736 HD22 LEU 89 HD22 LEU 89 1.834 4.443 -5.589 737 HD23 LEU 89 HD23 LEU 89 1.299 5.038 -4.017 738 H ALA 90 H ALA 90 5.900 7.454 -1.624 739 HA ALA 90 HA ALA 90 4.501 8.739 0.448 740 HB1 ALA 90 HB1 ALA 90 6.471 8.307 1.803 741 HB2 ALA 90 HB2 ALA 90 7.413 7.965 0.351 742 HB3 ALA 90 HB3 ALA 90 6.081 6.904 0.809 743 H GLU 91 H GLU 91 7.060 9.832 -1.680 744 HA GLU 91 HA GLU 91 7.912 12.104 -0.401 745 HB2 GLU 91 HB2 GLU 91 7.371 12.073 -3.364 746 HB3 GLU 91 HB3 GLU 91 8.629 12.949 -2.502 747 HG2 GLU 91 HG2 GLU 91 9.735 10.862 -1.957 748 HG3 GLU 91 HG3 GLU 91 8.447 9.970 -2.763 749 H SER 92 H SER 92 5.177 11.819 -2.620 750 HA SER 92 HA SER 92 4.211 14.369 -2.450 751 HB2 SER 92 HB2 SER 92 3.417 12.687 -4.050 752 HB3 SER 92 HB3 SER 92 2.617 11.813 -2.744 753 HG SER 92 HG SER 92 1.621 13.760 -4.191 754 H GLU 93 H GLU 93 4.053 11.896 -0.046 755 HA GLU 93 HA GLU 93 1.894 13.240 1.423 756 HB2 GLU 93 HB2 GLU 93 3.307 10.706 2.230 757 HB3 GLU 93 HB3 GLU 93 1.738 11.291 2.752 758 HG2 GLU 93 HG2 GLU 93 2.330 10.446 -0.063 759 HG3 GLU 93 HG3 GLU 93 1.701 9.360 1.174 760 H GLY 94 H GLY 94 5.230 13.158 1.110 761 HA2 GLY 94 HA2 GLY 94 6.693 14.637 2.264 762 HA3 GLY 94 HA3 GLY 94 5.509 14.744 3.565 763 H LEU 95 H LEU 95 5.509 11.638 2.662 764 HA LEU 95 HA LEU 95 6.327 9.691 3.461 765 HB2 LEU 95 HB2 LEU 95 8.557 11.161 2.788 766 HB3 LEU 95 HB3 LEU 95 8.886 10.693 4.447 767 HG LEU 95 HG LEU 95 8.505 8.935 2.044 768 HD11 LEU 95 HD11 LEU 95 10.634 9.098 4.168 769 HD12 LEU 95 HD12 LEU 95 10.753 9.713 2.519 770 HD13 LEU 95 HD13 LEU 95 10.620 7.979 2.804 771 HD21 LEU 95 HD21 LEU 95 8.538 6.994 3.578 772 HD22 LEU 95 HD22 LEU 95 7.070 7.963 3.719 773 HD23 LEU 95 HD23 LEU 95 8.341 8.100 4.937 774 H SER 96 H SER 96 4.866 11.482 5.148 775 HA SER 96 HA SER 96 6.094 11.082 7.789 776 HB2 SER 96 HB2 SER 96 5.462 13.414 7.303 777 HB3 SER 96 HB3 SER 96 3.805 12.900 6.987 778 HG SER 96 HG SER 96 3.539 13.227 9.042 779 H LEU 97 H LEU 97 4.874 8.950 6.264 780 HA LEU 97 HA LEU 97 2.155 8.579 7.193 781 HB2 LEU 97 HB2 LEU 97 4.043 6.708 5.761 782 HB3 LEU 97 HB3 LEU 97 2.376 6.339 6.152 783 HG LEU 97 HG LEU 97 1.757 8.379 4.736 784 HD11 LEU 97 HD11 LEU 97 3.926 9.429 4.601 785 HD12 LEU 97 HD12 LEU 97 3.399 8.955 2.986 786 HD13 LEU 97 HD13 LEU 97 4.608 7.994 3.836 787 HD21 LEU 97 HD21 LEU 97 1.376 6.076 4.031 788 HD22 LEU 97 HD22 LEU 97 3.025 5.984 3.413 789 HD23 LEU 97 HD23 LEU 97 1.864 7.085 2.670 790 H LEU 98 H LEU 98 4.774 6.204 7.394 791 HA LEU 98 HA LEU 98 3.993 5.267 9.882 792 HB2 LEU 98 HB2 LEU 98 5.479 4.130 8.169 793 HB3 LEU 98 HB3 LEU 98 6.802 5.085 8.808 794 HG LEU 98 HG LEU 98 6.420 4.044 11.036 795 HD11 LEU 98 HD11 LEU 98 4.079 3.443 10.768 796 HD12 LEU 98 HD12 LEU 98 5.048 2.026 11.167 797 HD13 LEU 98 HD13 LEU 98 4.507 2.287 9.508 798 HD21 LEU 98 HD21 LEU 98 7.402 1.880 10.453 799 HD22 LEU 98 HD22 LEU 98 8.140 3.193 9.536 800 HD23 LEU 98 HD23 LEU 98 6.958 2.135 8.765 801 H ASN 99 H ASN 99 4.737 5.554 11.977 802 HA ASN 99 HA ASN 99 5.478 6.716 13.781 803 HB2 ASN 99 HB2 ASN 99 7.727 7.424 11.886 804 HB3 ASN 99 HB3 ASN 99 7.744 7.746 13.616 805 HD21 ASN 99 HD21 ASN 99 7.991 5.344 11.145 806 HD22 ASN 99 HD22 ASN 99 8.513 4.050 12.163 807 H VAL 100 H VAL 100 3.991 8.266 14.179 808 HA VAL 100 HA VAL 100 4.477 10.908 12.978 809 HB VAL 100 HB VAL 100 2.047 11.343 12.979 810 HG11 VAL 100 HG11 VAL 100 3.143 10.631 10.927 811 HG12 VAL 100 HG12 VAL 100 1.506 9.981 11.014 812 HG13 VAL 100 HG13 VAL 100 2.888 8.941 11.359 813 HG21 VAL 100 HG21 VAL 100 1.821 8.406 13.636 814 HG22 VAL 100 HG22 VAL 100 0.481 9.465 13.194 815 HG23 VAL 100 HG23 VAL 100 1.371 9.748 14.689 816 H GLY 101 H GLY 101 4.038 12.699 14.291 817 HA2 GLY 101 HA2 GLY 101 2.891 12.461 16.905 818 HA3 GLY 101 HA3 GLY 101 4.646 12.536 16.959 819 H ILE 102 H ILE 102 3.174 14.476 18.198 820 HA ILE 102 HA ILE 102 3.152 16.769 16.361 821 HB ILE 102 HB ILE 102 2.049 17.949 18.352 822 HG12 ILE 102 HG12 ILE 102 0.735 16.314 19.795 823 HG13 ILE 102 HG13 ILE 102 1.827 15.062 19.218 824 HG21 ILE 102 HG21 ILE 102 0.860 17.352 16.325 825 HG22 ILE 102 HG22 ILE 102 -0.162 17.084 17.737 826 HG23 ILE 102 HG23 ILE 102 0.607 15.716 16.932 827 HD11 ILE 102 HD11 ILE 102 2.459 15.932 21.417 828 HD12 ILE 102 HD12 ILE 102 2.663 17.536 20.713 829 HD13 ILE 102 HD13 ILE 102 3.710 16.210 20.206 830 H GLY 103 H GLY 103 3.795 18.893 17.550 831 HA2 GLY 103 HA2 GLY 103 5.417 19.205 19.700 832 HA3 GLY 103 HA3 GLY 103 6.492 18.508 18.497 Start of MODEL 15 1 H GLY 1 H GLY 1 11.207 2.447 -20.208 2 HA2 GLY 1 HA2 GLY 1 8.523 3.700 -20.399 3 HA3 GLY 1 HA3 GLY 1 8.836 1.979 -20.244 4 H SER 2 H SER 2 7.436 4.031 -18.511 5 HA SER 2 HA SER 2 8.585 3.081 -16.006 6 HB2 SER 2 HB2 SER 2 8.128 6.017 -16.589 7 HB3 SER 2 HB3 SER 2 8.557 5.347 -15.015 8 HG SER 2 HG SER 2 10.531 5.593 -15.682 9 H TYR 3 H TYR 3 7.042 2.443 -14.653 10 HA TYR 3 HA TYR 3 4.267 3.006 -15.316 11 HB2 TYR 3 HB2 TYR 3 4.927 0.695 -14.817 12 HB3 TYR 3 HB3 TYR 3 5.470 1.187 -13.216 13 HD1 TYR 3 HD1 TYR 3 2.410 1.231 -15.359 14 HD2 TYR 3 HD2 TYR 3 4.017 0.959 -11.430 15 HE1 TYR 3 HE1 TYR 3 0.157 0.806 -14.475 16 HE2 TYR 3 HE2 TYR 3 1.768 0.532 -10.533 17 HH TYR 3 HH TYR 3 -0.573 0.934 -11.163 18 H TRP 4 H TRP 4 3.322 4.752 -14.486 19 HA TRP 4 HA TRP 4 3.748 5.357 -11.644 20 HB2 TRP 4 HB2 TRP 4 5.188 6.863 -12.912 21 HB3 TRP 4 HB3 TRP 4 3.824 7.363 -13.907 22 HD1 TRP 4 HD1 TRP 4 2.236 9.221 -12.952 23 HE1 TRP 4 HE1 TRP 4 2.315 10.717 -10.859 24 HE3 TRP 4 HE3 TRP 4 5.945 6.822 -10.378 25 HZ2 TRP 4 HZ2 TRP 4 3.759 10.862 -8.437 26 HZ3 TRP 4 HZ3 TRP 4 6.615 7.703 -8.182 27 HH2 TRP 4 HH2 TRP 4 5.545 9.681 -7.232 28 HA PRO 5 HA PRO 5 -0.778 5.209 -12.289 29 HB2 PRO 5 HB2 PRO 5 -0.764 5.038 -9.350 30 HB3 PRO 5 HB3 PRO 5 -1.481 3.942 -10.532 31 HG2 PRO 5 HG2 PRO 5 0.700 3.264 -9.120 32 HG3 PRO 5 HG3 PRO 5 0.469 2.738 -10.797 33 HD2 PRO 5 HD2 PRO 5 2.179 4.947 -9.721 34 HD3 PRO 5 HD3 PRO 5 2.533 3.771 -11.004 35 H ALA 6 H ALA 6 -2.560 6.492 -11.189 36 HA ALA 6 HA ALA 6 -1.734 9.247 -11.050 37 HB1 ALA 6 HB1 ALA 6 -4.117 9.742 -10.849 38 HB2 ALA 6 HB2 ALA 6 -4.465 8.024 -10.661 39 HB3 ALA 6 HB3 ALA 6 -3.809 8.629 -12.182 40 H ARG 7 H ARG 7 -3.217 10.480 -9.210 41 HA ARG 7 HA ARG 7 -1.915 9.674 -6.741 42 HB2 ARG 7 HB2 ARG 7 -1.975 12.059 -7.535 43 HB3 ARG 7 HB3 ARG 7 -3.705 12.059 -7.221 44 HG2 ARG 7 HG2 ARG 7 -3.261 11.575 -4.856 45 HG3 ARG 7 HG3 ARG 7 -1.529 11.626 -5.186 46 HD2 ARG 7 HD2 ARG 7 -3.477 13.898 -5.560 47 HD3 ARG 7 HD3 ARG 7 -2.310 13.738 -4.247 48 HE ARG 7 HE ARG 7 -0.874 13.610 -6.612 49 HH11 ARG 7 HH11 ARG 7 -2.900 15.908 -4.952 50 HH12 ARG 7 HH12 ARG 7 -2.088 17.291 -5.606 51 HH21 ARG 7 HH21 ARG 7 0.202 15.425 -7.478 52 HH22 ARG 7 HH22 ARG 7 -0.325 17.016 -7.041 53 H HIS 8 H HIS 8 -2.945 9.076 -4.863 54 HA HIS 8 HA HIS 8 -4.513 8.092 -3.545 55 HB2 HIS 8 HB2 HIS 8 -6.419 9.789 -5.174 56 HB3 HIS 8 HB3 HIS 8 -6.835 8.945 -3.687 57 HD1 HIS 8 HD1 HIS 8 -5.103 9.712 -1.597 58 HD2 HIS 8 HD2 HIS 8 -5.784 12.366 -4.721 59 HE1 HIS 8 HE1 HIS 8 -4.477 11.977 -0.703 60 HE2 HIS 8 HE2 HIS 8 -4.978 13.578 -2.583 61 H SER 9 H SER 9 -3.966 7.199 -6.508 62 HA SER 9 HA SER 9 -6.268 5.840 -7.432 63 HB2 SER 9 HB2 SER 9 -3.341 5.225 -7.905 64 HB3 SER 9 HB3 SER 9 -4.685 4.542 -8.820 65 HG SER 9 HG SER 9 -5.202 6.647 -9.506 66 H GLY 10 H GLY 10 -6.700 3.552 -7.387 67 HA2 GLY 10 HA2 GLY 10 -6.536 2.386 -4.884 68 HA3 GLY 10 HA3 GLY 10 -6.914 1.511 -6.361 69 H ALA 11 H ALA 11 -4.641 1.490 -7.767 70 HA ALA 11 HA ALA 11 -3.031 -0.368 -6.479 71 HB1 ALA 11 HB1 ALA 11 -3.256 -0.270 -8.891 72 HB2 ALA 11 HB2 ALA 11 -1.555 -0.183 -8.430 73 HB3 ALA 11 HB3 ALA 11 -2.408 1.278 -8.927 74 H ARG 12 H ARG 12 -2.693 3.121 -6.661 75 HA ARG 12 HA ARG 12 0.078 3.122 -5.851 76 HB2 ARG 12 HB2 ARG 12 0.029 5.391 -6.170 77 HB3 ARG 12 HB3 ARG 12 -1.294 4.922 -7.220 78 HG2 ARG 12 HG2 ARG 12 -2.298 6.627 -6.123 79 HG3 ARG 12 HG3 ARG 12 -2.693 5.321 -5.006 80 HD2 ARG 12 HD2 ARG 12 -0.698 5.908 -3.669 81 HD3 ARG 12 HD3 ARG 12 -0.401 7.263 -4.756 82 HE ARG 12 HE ARG 12 -3.025 7.285 -3.594 83 HH11 ARG 12 HH11 ARG 12 0.310 8.182 -3.131 84 HH12 ARG 12 HH12 ARG 12 -0.054 9.448 -2.006 85 HH21 ARG 12 HH21 ARG 12 -3.512 8.950 -2.113 86 HH22 ARG 12 HH22 ARG 12 -2.225 9.884 -1.428 87 H VAL 13 H VAL 13 -3.080 3.650 -4.364 88 HA VAL 13 HA VAL 13 -2.166 4.340 -1.822 89 HB VAL 13 HB VAL 13 -4.763 3.153 -2.768 90 HG11 VAL 13 HG11 VAL 13 -5.686 3.641 -0.532 91 HG12 VAL 13 HG12 VAL 13 -4.054 3.980 0.044 92 HG13 VAL 13 HG13 VAL 13 -4.478 2.357 -0.503 93 HG21 VAL 13 HG21 VAL 13 -4.248 5.476 -3.381 94 HG22 VAL 13 HG22 VAL 13 -4.047 5.873 -1.674 95 HG23 VAL 13 HG23 VAL 13 -5.625 5.374 -2.284 96 H ILE 14 H ILE 14 -2.730 1.160 -3.248 97 HA ILE 14 HA ILE 14 -2.592 -0.267 -0.791 98 HB ILE 14 HB ILE 14 -2.297 -2.271 -2.164 99 HG12 ILE 14 HG12 ILE 14 -2.260 -0.360 -4.502 100 HG13 ILE 14 HG13 ILE 14 -0.885 -1.294 -3.929 101 HG21 ILE 14 HG21 ILE 14 -4.532 -1.555 -1.761 102 HG22 ILE 14 HG22 ILE 14 -4.428 -2.093 -3.437 103 HG23 ILE 14 HG23 ILE 14 -4.440 -0.370 -3.063 104 HD11 ILE 14 HD11 ILE 14 -3.434 -2.459 -5.020 105 HD12 ILE 14 HD12 ILE 14 -1.994 -3.351 -4.530 106 HD13 ILE 14 HD13 ILE 14 -1.929 -2.265 -5.917 107 H LEU 15 H LEU 15 -0.169 0.085 -3.421 108 HA LEU 15 HA LEU 15 1.868 -1.074 -2.024 109 HB2 LEU 15 HB2 LEU 15 2.283 1.172 -3.986 110 HB3 LEU 15 HB3 LEU 15 3.381 -0.139 -3.618 111 HG LEU 15 HG LEU 15 0.673 -0.647 -4.819 112 HD11 LEU 15 HD11 LEU 15 1.813 0.879 -6.310 113 HD12 LEU 15 HD12 LEU 15 1.785 -0.742 -7.002 114 HD13 LEU 15 HD13 LEU 15 3.263 -0.124 -6.266 115 HD21 LEU 15 HD21 LEU 15 3.243 -2.222 -4.772 116 HD22 LEU 15 HD22 LEU 15 1.745 -2.717 -5.561 117 HD23 LEU 15 HD23 LEU 15 1.803 -2.550 -3.807 118 H LEU 16 H LEU 16 0.687 2.175 -1.664 119 HA LEU 16 HA LEU 16 3.082 3.233 -0.439 120 HB2 LEU 16 HB2 LEU 16 1.657 4.705 -1.709 121 HB3 LEU 16 HB3 LEU 16 0.264 4.254 -0.751 122 HG LEU 16 HG LEU 16 1.277 5.307 1.214 123 HD11 LEU 16 HD11 LEU 16 3.251 6.720 0.958 124 HD12 LEU 16 HD12 LEU 16 3.415 6.191 -0.716 125 HD13 LEU 16 HD13 LEU 16 3.623 5.034 0.598 126 HD21 LEU 16 HD21 LEU 16 1.131 7.125 -1.182 127 HD22 LEU 16 HD22 LEU 16 0.921 7.594 0.505 128 HD23 LEU 16 HD23 LEU 16 -0.254 6.531 -0.270 129 H VAL 17 H VAL 17 -0.167 2.231 0.508 130 HA VAL 17 HA VAL 17 0.182 2.581 3.234 131 HB VAL 17 HB VAL 17 -1.940 2.210 1.847 132 HG11 VAL 17 HG11 VAL 17 -1.275 -0.637 2.517 133 HG12 VAL 17 HG12 VAL 17 -1.488 0.073 0.914 134 HG13 VAL 17 HG13 VAL 17 -2.865 -0.069 2.009 135 HG21 VAL 17 HG21 VAL 17 -3.170 1.429 3.828 136 HG22 VAL 17 HG22 VAL 17 -1.974 2.666 4.214 137 HG23 VAL 17 HG23 VAL 17 -1.639 0.972 4.573 138 H LEU 18 H LEU 18 0.708 -0.302 1.227 139 HA LEU 18 HA LEU 18 1.459 -2.025 3.309 140 HB2 LEU 18 HB2 LEU 18 1.896 -1.928 0.358 141 HB3 LEU 18 HB3 LEU 18 2.887 -3.032 1.290 142 HG LEU 18 HG LEU 18 0.771 -3.927 0.208 143 HD11 LEU 18 HD11 LEU 18 2.087 -5.174 1.825 144 HD12 LEU 18 HD12 LEU 18 0.365 -5.450 2.087 145 HD13 LEU 18 HD13 LEU 18 1.255 -4.360 3.150 146 HD21 LEU 18 HD21 LEU 18 -0.777 -2.185 0.877 147 HD22 LEU 18 HD22 LEU 18 -0.472 -2.540 2.576 148 HD23 LEU 18 HD23 LEU 18 -1.272 -3.735 1.554 149 H TYR 19 H TYR 19 3.012 0.566 1.721 150 HA TYR 19 HA TYR 19 5.738 -0.131 2.022 151 HB2 TYR 19 HB2 TYR 19 5.085 1.634 0.511 152 HB3 TYR 19 HB3 TYR 19 4.380 2.556 1.829 153 HD1 TYR 19 HD1 TYR 19 7.532 1.476 0.269 154 HD2 TYR 19 HD2 TYR 19 5.741 3.889 3.281 155 HE1 TYR 19 HE1 TYR 19 9.663 2.664 0.579 156 HE2 TYR 19 HE2 TYR 19 7.865 5.083 3.597 157 HH TYR 19 HH TYR 19 10.450 4.849 1.429 158 H ARG 20 H ARG 20 3.906 2.290 3.946 159 HA ARG 20 HA ARG 20 5.736 2.567 5.915 160 HB2 ARG 20 HB2 ARG 20 3.757 3.072 7.442 161 HB3 ARG 20 HB3 ARG 20 3.940 4.038 5.988 162 HG2 ARG 20 HG2 ARG 20 2.272 2.482 4.907 163 HG3 ARG 20 HG3 ARG 20 1.974 1.835 6.525 164 HD2 ARG 20 HD2 ARG 20 1.514 4.173 7.277 165 HD3 ARG 20 HD3 ARG 20 1.609 4.671 5.590 166 HE ARG 20 HE ARG 20 -0.264 2.557 5.975 167 HH11 ARG 20 HH11 ARG 20 0.199 5.997 6.270 168 HH12 ARG 20 HH12 ARG 20 -1.489 6.366 6.146 169 HH21 ARG 20 HH21 ARG 20 -2.493 3.036 5.820 170 HH22 ARG 20 HH22 ARG 20 -3.015 4.686 5.888 171 H GLU 21 H GLU 21 3.267 -0.003 5.824 172 HA GLU 21 HA GLU 21 3.775 -0.952 8.474 173 HB2 GLU 21 HB2 GLU 21 1.662 -1.439 7.361 174 HB3 GLU 21 HB3 GLU 21 2.509 -2.266 6.061 175 HG2 GLU 21 HG2 GLU 21 1.546 -3.878 7.549 176 HG3 GLU 21 HG3 GLU 21 3.300 -3.941 7.675 177 H HIS 22 H HIS 22 5.366 -1.173 5.462 178 HA HIS 22 HA HIS 22 6.597 -3.771 5.945 179 HB2 HIS 22 HB2 HIS 22 6.162 -3.320 3.654 180 HB3 HIS 22 HB3 HIS 22 6.910 -1.731 3.746 181 HD1 HIS 22 HD1 HIS 22 7.629 -5.248 3.015 182 HD2 HIS 22 HD2 HIS 22 9.800 -1.836 3.971 183 HE1 HIS 22 HE1 HIS 22 10.008 -5.762 2.379 184 HE2 HIS 22 HE2 HIS 22 11.288 -3.656 2.896 185 H LEU 23 H LEU 23 7.532 -0.340 5.795 186 HA LEU 23 HA LEU 23 10.150 -0.663 6.590 187 HB2 LEU 23 HB2 LEU 23 8.224 1.616 6.928 188 HB3 LEU 23 HB3 LEU 23 9.872 1.726 7.521 189 HG LEU 23 HG LEU 23 10.611 1.173 5.158 190 HD11 LEU 23 HD11 LEU 23 9.049 1.641 3.366 191 HD12 LEU 23 HD12 LEU 23 7.757 1.903 4.539 192 HD13 LEU 23 HD13 LEU 23 8.474 0.301 4.355 193 HD21 LEU 23 HD21 LEU 23 9.120 3.745 5.646 194 HD22 LEU 23 HD22 LEU 23 10.349 3.485 4.408 195 HD23 LEU 23 HD23 LEU 23 10.786 3.404 6.115 196 H ASN 24 H ASN 24 7.486 -1.463 8.356 197 HA ASN 24 HA ASN 24 8.000 -0.609 10.944 198 HB2 ASN 24 HB2 ASN 24 6.502 -2.857 9.737 199 HB3 ASN 24 HB3 ASN 24 6.943 -3.033 11.430 200 HD21 ASN 24 HD21 ASN 24 6.034 -1.726 12.958 201 HD22 ASN 24 HD22 ASN 24 4.694 -0.687 12.623 202 HA PRO 25 HA PRO 25 11.915 -2.805 11.563 203 HB2 PRO 25 HB2 PRO 25 11.766 -1.423 14.163 204 HB3 PRO 25 HB3 PRO 25 13.039 -1.384 12.946 205 HG2 PRO 25 HG2 PRO 25 11.436 0.724 13.372 206 HG3 PRO 25 HG3 PRO 25 12.030 0.317 11.751 207 HD2 PRO 25 HD2 PRO 25 9.337 -0.184 12.962 208 HD3 PRO 25 HD3 PRO 25 9.760 0.318 11.314 209 H ASN 26 H ASN 26 9.198 -2.467 13.762 210 HA ASN 26 HA ASN 26 9.930 -5.007 15.031 211 HB2 ASN 26 HB2 ASN 26 8.486 -2.609 16.122 212 HB3 ASN 26 HB3 ASN 26 8.338 -4.188 16.881 213 HD21 ASN 26 HD21 ASN 26 10.454 -1.530 16.167 214 HD22 ASN 26 HD22 ASN 26 11.712 -1.967 17.268 215 H GLY 27 H GLY 27 7.650 -3.345 13.158 216 HA2 GLY 27 HA2 GLY 27 5.369 -5.020 13.835 217 HA3 GLY 27 HA3 GLY 27 5.414 -3.764 12.605 218 H HIS 28 H HIS 28 4.245 -5.438 11.367 219 HA HIS 28 HA HIS 28 5.945 -7.629 10.396 220 HB2 HIS 28 HB2 HIS 28 2.969 -7.174 10.082 221 HB3 HIS 28 HB3 HIS 28 3.857 -8.534 9.406 222 HD1 HIS 28 HD1 HIS 28 4.187 -10.525 10.889 223 HD2 HIS 28 HD2 HIS 28 2.896 -7.177 12.984 224 HE1 HIS 28 HE1 HIS 28 3.692 -11.338 13.217 225 HE2 HIS 28 HE2 HIS 28 2.815 -9.315 14.436 226 H HIS 29 H HIS 29 6.501 -7.779 8.253 227 HA HIS 29 HA HIS 29 6.391 -5.322 6.741 228 HB2 HIS 29 HB2 HIS 29 7.625 -8.014 6.127 229 HB3 HIS 29 HB3 HIS 29 7.769 -6.600 5.087 230 HD1 HIS 29 HD1 HIS 29 9.883 -5.383 5.419 231 HD2 HIS 29 HD2 HIS 29 8.646 -7.283 8.901 232 HE1 HIS 29 HE1 HIS 29 11.676 -4.908 7.118 233 HE2 HIS 29 HE2 HIS 29 10.932 -6.112 9.202 234 H PHE 30 H PHE 30 3.861 -6.591 7.197 235 HA PHE 30 HA PHE 30 2.821 -6.495 4.532 236 HB2 PHE 30 HB2 PHE 30 1.970 -8.754 4.385 237 HB3 PHE 30 HB3 PHE 30 3.711 -8.824 4.606 238 HD1 PHE 30 HD1 PHE 30 0.455 -9.463 6.128 239 HD2 PHE 30 HD2 PHE 30 4.673 -9.690 6.655 240 HE1 PHE 30 HE1 PHE 30 0.129 -10.949 8.059 241 HE2 PHE 30 HE2 PHE 30 4.352 -11.180 8.588 242 HZ PHE 30 HZ PHE 30 2.075 -11.809 9.291 243 H LEU 31 H LEU 31 0.449 -7.022 4.516 244 HA LEU 31 HA LEU 31 -0.969 -7.137 7.038 245 HB2 LEU 31 HB2 LEU 31 -0.591 -4.675 5.454 246 HB3 LEU 31 HB3 LEU 31 -2.238 -5.009 5.947 247 HG LEU 31 HG LEU 31 0.091 -4.845 7.854 248 HD11 LEU 31 HD11 LEU 31 -0.842 -2.668 8.501 249 HD12 LEU 31 HD12 LEU 31 -2.003 -2.786 7.179 250 HD13 LEU 31 HD13 LEU 31 -0.277 -2.681 6.831 251 HD21 LEU 31 HD21 LEU 31 -1.651 -4.715 9.564 252 HD22 LEU 31 HD22 LEU 31 -1.742 -6.225 8.658 253 HD23 LEU 31 HD23 LEU 31 -2.885 -4.925 8.320 254 H THR 32 H THR 32 -3.364 -7.204 6.646 255 HA THR 32 HA THR 32 -3.831 -8.821 4.238 256 HB THR 32 HB THR 32 -5.867 -9.619 5.323 257 HG1 THR 32 HG1 THR 32 -5.642 -8.849 7.800 258 HG21 THR 32 HG21 THR 32 -3.793 -10.831 5.760 259 HG22 THR 32 HG22 THR 32 -4.840 -10.863 7.179 260 HG23 THR 32 HG23 THR 32 -3.452 -9.776 7.133 261 H LYS 33 H LYS 33 -5.438 -8.265 2.769 262 HA LYS 33 HA LYS 33 -6.079 -5.806 2.163 263 HB2 LYS 33 HB2 LYS 33 -6.769 -8.030 1.022 264 HB3 LYS 33 HB3 LYS 33 -8.277 -7.838 1.893 265 HG2 LYS 33 HG2 LYS 33 -7.170 -5.735 0.051 266 HG3 LYS 33 HG3 LYS 33 -8.269 -7.008 -0.478 267 HD2 LYS 33 HD2 LYS 33 -9.850 -6.206 1.337 268 HD3 LYS 33 HD3 LYS 33 -8.794 -4.801 1.502 269 HE2 LYS 33 HE2 LYS 33 -10.646 -4.267 0.037 270 HE3 LYS 33 HE3 LYS 33 -9.146 -4.289 -0.886 271 HZ1 LYS 33 HZ1 LYS 33 -10.938 -5.409 -2.059 272 HZ2 LYS 33 HZ2 LYS 33 -11.128 -6.496 -0.776 273 HZ3 LYS 33 HZ3 LYS 33 -9.697 -6.496 -1.680 274 H GLU 34 H GLU 34 -7.978 -7.686 4.485 275 HA GLU 34 HA GLU 34 -10.128 -5.837 4.745 276 HB2 GLU 34 HB2 GLU 34 -10.604 -7.040 6.842 277 HB3 GLU 34 HB3 GLU 34 -10.375 -8.136 5.488 278 HG2 GLU 34 HG2 GLU 34 -8.099 -8.595 6.245 279 HG3 GLU 34 HG3 GLU 34 -8.331 -7.496 7.604 280 H GLU 35 H GLU 35 -6.971 -6.198 6.234 281 HA GLU 35 HA GLU 35 -7.411 -4.231 8.265 282 HB2 GLU 35 HB2 GLU 35 -4.895 -5.516 7.203 283 HB3 GLU 35 HB3 GLU 35 -4.895 -4.339 8.510 284 HG2 GLU 35 HG2 GLU 35 -6.320 -5.805 9.840 285 HG3 GLU 35 HG3 GLU 35 -6.327 -6.986 8.533 286 H LEU 36 H LEU 36 -5.712 -4.197 5.145 287 HA LEU 36 HA LEU 36 -4.824 -1.680 5.097 288 HB2 LEU 36 HB2 LEU 36 -6.203 -2.793 2.676 289 HB3 LEU 36 HB3 LEU 36 -4.786 -1.765 2.744 290 HG LEU 36 HG LEU 36 -4.957 -4.679 3.467 291 HD11 LEU 36 HD11 LEU 36 -4.805 -4.371 1.110 292 HD12 LEU 36 HD12 LEU 36 -3.214 -4.862 1.690 293 HD13 LEU 36 HD13 LEU 36 -3.525 -3.173 1.292 294 HD21 LEU 36 HD21 LEU 36 -3.511 -3.575 5.068 295 HD22 LEU 36 HD22 LEU 36 -2.636 -2.777 3.762 296 HD23 LEU 36 HD23 LEU 36 -2.547 -4.529 3.942 297 H LEU 37 H LEU 37 -8.164 -2.636 4.687 298 HA LEU 37 HA LEU 37 -9.256 -0.308 3.650 299 HB2 LEU 37 HB2 LEU 37 -10.476 -2.136 5.723 300 HB3 LEU 37 HB3 LEU 37 -11.356 -0.986 4.734 301 HG LEU 37 HG LEU 37 -9.864 -3.397 3.694 302 HD11 LEU 37 HD11 LEU 37 -12.086 -4.295 3.220 303 HD12 LEU 37 HD12 LEU 37 -12.820 -2.890 3.995 304 HD13 LEU 37 HD13 LEU 37 -11.856 -4.020 4.946 305 HD21 LEU 37 HD21 LEU 37 -10.952 -2.866 1.566 306 HD22 LEU 37 HD22 LEU 37 -9.886 -1.563 2.090 307 HD23 LEU 37 HD23 LEU 37 -11.632 -1.404 2.280 308 H GLN 38 H GLN 38 -8.253 -1.055 6.918 309 HA GLN 38 HA GLN 38 -9.473 1.327 8.063 310 HB2 GLN 38 HB2 GLN 38 -7.532 -0.668 9.254 311 HB3 GLN 38 HB3 GLN 38 -8.303 0.646 10.132 312 HG2 GLN 38 HG2 GLN 38 -10.490 -0.353 9.712 313 HG3 GLN 38 HG3 GLN 38 -9.718 -1.670 8.831 314 HE21 GLN 38 HE21 GLN 38 -10.288 -0.245 11.947 315 HE22 GLN 38 HE22 GLN 38 -9.768 -1.597 12.889 316 H ARG 39 H ARG 39 -6.315 0.080 7.175 317 HA ARG 39 HA ARG 39 -4.693 2.126 7.825 318 HB2 ARG 39 HB2 ARG 39 -4.543 0.577 5.247 319 HB3 ARG 39 HB3 ARG 39 -3.207 1.381 6.060 320 HG2 ARG 39 HG2 ARG 39 -4.785 -0.844 7.293 321 HG3 ARG 39 HG3 ARG 39 -3.331 -1.105 6.332 322 HD2 ARG 39 HD2 ARG 39 -2.641 -1.095 8.595 323 HD3 ARG 39 HD3 ARG 39 -2.143 0.453 7.916 324 HE ARG 39 HE ARG 39 -4.684 0.714 9.108 325 HH11 ARG 39 HH11 ARG 39 -1.329 0.285 9.947 326 HH12 ARG 39 HH12 ARG 39 -1.479 1.072 11.482 327 HH21 ARG 39 HH21 ARG 39 -4.891 1.751 11.128 328 HH22 ARG 39 HH22 ARG 39 -3.504 1.905 12.154 329 H CYS 40 H CYS 40 -6.634 1.898 4.885 330 HA CYS 40 HA CYS 40 -5.653 4.101 3.508 331 HB2 CYS 40 HB2 CYS 40 -7.537 3.976 2.140 332 HB3 CYS 40 HB3 CYS 40 -7.398 2.338 2.770 333 HG CYS 40 HG CYS 40 -9.855 2.256 3.479 334 H ALA 41 H ALA 41 -8.094 3.974 6.044 335 HA ALA 41 HA ALA 41 -9.059 6.445 6.103 336 HB1 ALA 41 HB1 ALA 41 -9.599 4.758 7.793 337 HB2 ALA 41 HB2 ALA 41 -9.261 6.324 8.528 338 HB3 ALA 41 HB3 ALA 41 -8.046 5.047 8.577 339 H GLN 42 H GLN 42 -5.857 5.636 7.440 340 HA GLN 42 HA GLN 42 -5.222 8.364 7.864 341 HB2 GLN 42 HB2 GLN 42 -4.301 6.523 9.233 342 HB3 GLN 42 HB3 GLN 42 -3.404 5.944 7.836 343 HG2 GLN 42 HG2 GLN 42 -2.115 8.002 7.788 344 HG3 GLN 42 HG3 GLN 42 -3.039 8.628 9.152 345 HE21 GLN 42 HE21 GLN 42 -0.608 6.371 8.124 346 HE22 GLN 42 HE22 GLN 42 -0.019 5.974 9.699 347 H LYS 43 H LYS 43 -4.625 6.069 5.335 348 HA LYS 43 HA LYS 43 -2.578 7.113 3.869 349 HB2 LYS 43 HB2 LYS 43 -3.566 5.123 3.118 350 HB3 LYS 43 HB3 LYS 43 -5.176 5.819 3.112 351 HG2 LYS 43 HG2 LYS 43 -4.543 5.528 0.857 352 HG3 LYS 43 HG3 LYS 43 -4.432 7.255 1.186 353 HD2 LYS 43 HD2 LYS 43 -2.530 6.446 -0.134 354 HD3 LYS 43 HD3 LYS 43 -2.020 7.077 1.432 355 HE2 LYS 43 HE2 LYS 43 -2.562 4.156 1.097 356 HE3 LYS 43 HE3 LYS 43 -1.033 4.835 0.542 357 HZ1 LYS 43 HZ1 LYS 43 -0.791 4.027 2.773 358 HZ2 LYS 43 HZ2 LYS 43 -2.109 4.936 3.309 359 HZ3 LYS 43 HZ3 LYS 43 -0.698 5.716 2.803 360 H SER 44 H SER 44 -5.923 8.220 3.977 361 HA SER 44 HA SER 44 -5.200 10.888 3.276 362 HB2 SER 44 HB2 SER 44 -6.776 9.269 1.258 363 HB3 SER 44 HB3 SER 44 -6.581 11.019 1.208 364 HG SER 44 HG SER 44 -4.484 10.789 0.703 365 HA PRO 45 HA PRO 45 -8.815 11.623 5.714 366 HB2 PRO 45 HB2 PRO 45 -9.658 13.996 4.573 367 HB3 PRO 45 HB3 PRO 45 -8.401 13.864 5.807 368 HG2 PRO 45 HG2 PRO 45 -8.130 14.128 2.843 369 HG3 PRO 45 HG3 PRO 45 -7.167 14.878 4.130 370 HD2 PRO 45 HD2 PRO 45 -6.261 12.765 2.746 371 HD3 PRO 45 HD3 PRO 45 -5.910 12.960 4.476 372 H ARG 46 H ARG 46 -9.696 13.053 2.588 373 HA ARG 46 HA ARG 46 -11.868 11.091 2.395 374 HB2 ARG 46 HB2 ARG 46 -11.676 13.909 1.314 375 HB3 ARG 46 HB3 ARG 46 -13.043 12.830 1.071 376 HG2 ARG 46 HG2 ARG 46 -13.436 12.777 3.480 377 HG3 ARG 46 HG3 ARG 46 -12.061 13.855 3.727 378 HD2 ARG 46 HD2 ARG 46 -14.543 14.504 2.139 379 HD3 ARG 46 HD3 ARG 46 -14.199 15.060 3.776 380 HE ARG 46 HE ARG 46 -12.105 15.779 2.003 381 HH11 ARG 46 HH11 ARG 46 -15.360 16.626 2.916 382 HH12 ARG 46 HH12 ARG 46 -15.199 18.283 2.442 383 HH21 ARG 46 HH21 ARG 46 -11.884 17.960 1.376 384 HH22 ARG 46 HH22 ARG 46 -13.224 19.041 1.566 385 H VAL 47 H VAL 47 -10.722 9.522 1.239 386 HA VAL 47 HA VAL 47 -9.230 9.989 -1.079 387 HB VAL 47 HB VAL 47 -9.732 7.543 -1.599 388 HG11 VAL 47 HG11 VAL 47 -8.616 8.248 1.117 389 HG12 VAL 47 HG12 VAL 47 -7.728 8.260 -0.405 390 HG13 VAL 47 HG13 VAL 47 -8.334 6.738 0.249 391 HG21 VAL 47 HG21 VAL 47 -10.734 6.245 0.242 392 HG22 VAL 47 HG22 VAL 47 -11.883 7.363 -0.494 393 HG23 VAL 47 HG23 VAL 47 -11.144 7.753 1.060 394 H ALA 48 H ALA 48 -10.122 11.206 -2.660 395 HA ALA 48 HA ALA 48 -11.504 11.905 -4.324 396 HB1 ALA 48 HB1 ALA 48 -12.497 10.137 -5.670 397 HB2 ALA 48 HB2 ALA 48 -12.270 8.987 -4.353 398 HB3 ALA 48 HB3 ALA 48 -10.869 9.692 -5.160 399 HA PRO 49 HA PRO 49 -15.534 12.807 -2.759 400 HB2 PRO 49 HB2 PRO 49 -16.937 13.299 -5.028 401 HB3 PRO 49 HB3 PRO 49 -15.711 14.408 -4.403 402 HG2 PRO 49 HG2 PRO 49 -15.485 12.370 -6.585 403 HG3 PRO 49 HG3 PRO 49 -14.872 14.034 -6.541 404 HD2 PRO 49 HD2 PRO 49 -13.293 11.885 -6.068 405 HD3 PRO 49 HD3 PRO 49 -13.030 13.455 -5.283 406 H GLY 50 H GLY 50 -14.871 10.009 -4.415 407 HA2 GLY 50 HA2 GLY 50 -16.927 8.505 -3.249 408 HA3 GLY 50 HA3 GLY 50 -17.438 8.956 -4.869 409 H SER 51 H SER 51 -14.894 7.320 -3.040 410 HA SER 51 HA SER 51 -13.445 6.251 -5.133 411 HB2 SER 51 HB2 SER 51 -14.023 5.023 -2.428 412 HB3 SER 51 HB3 SER 51 -12.772 4.461 -3.536 413 HG SER 51 HG SER 51 -11.792 6.510 -3.356 414 H ALA 52 H ALA 52 -14.518 5.432 -6.850 415 HA ALA 52 HA ALA 52 -16.488 3.339 -6.426 416 HB1 ALA 52 HB1 ALA 52 -15.652 4.687 -8.984 417 HB2 ALA 52 HB2 ALA 52 -17.013 5.166 -7.970 418 HB3 ALA 52 HB3 ALA 52 -17.023 3.597 -8.776 419 HA PRO 53 HA PRO 53 -13.071 1.302 -9.437 420 HB2 PRO 53 HB2 PRO 53 -10.813 2.527 -7.909 421 HB3 PRO 53 HB3 PRO 53 -10.899 2.065 -9.615 422 HG2 PRO 53 HG2 PRO 53 -11.106 4.615 -8.918 423 HG3 PRO 53 HG3 PRO 53 -12.140 3.946 -10.195 424 HD2 PRO 53 HD2 PRO 53 -12.815 4.631 -7.375 425 HD3 PRO 53 HD3 PRO 53 -13.802 4.776 -8.843 426 HA PRO 54 HA PRO 54 -13.176 -1.715 -6.115 427 HB2 PRO 54 HB2 PRO 54 -11.640 -3.326 -8.082 428 HB3 PRO 54 HB3 PRO 54 -13.127 -3.725 -7.216 429 HG2 PRO 54 HG2 PRO 54 -13.172 -3.102 -9.811 430 HG3 PRO 54 HG3 PRO 54 -14.466 -2.580 -8.716 431 HD2 PRO 54 HD2 PRO 54 -12.200 -1.008 -9.862 432 HD3 PRO 54 HD3 PRO 54 -13.876 -0.512 -9.549 433 H TRP 55 H TRP 55 -11.734 -2.476 -4.584 434 HA TRP 55 HA TRP 55 -9.066 -1.401 -4.745 435 HB2 TRP 55 HB2 TRP 55 -10.847 -1.750 -2.676 436 HB3 TRP 55 HB3 TRP 55 -9.644 -3.005 -2.379 437 HD1 TRP 55 HD1 TRP 55 -9.549 0.751 -3.321 438 HE1 TRP 55 HE1 TRP 55 -7.664 1.869 -1.968 439 HE3 TRP 55 HE3 TRP 55 -7.831 -3.343 -0.786 440 HZ2 TRP 55 HZ2 TRP 55 -5.704 1.101 -0.080 441 HZ3 TRP 55 HZ3 TRP 55 -5.970 -3.060 0.764 442 HH2 TRP 55 HH2 TRP 55 -4.929 -0.888 1.122 443 HA PRO 56 HA PRO 56 -8.312 -6.309 -4.326 444 HB2 PRO 56 HB2 PRO 56 -10.124 -6.900 -6.618 445 HB3 PRO 56 HB3 PRO 56 -9.747 -7.882 -5.198 446 HG2 PRO 56 HG2 PRO 56 -12.070 -6.607 -5.371 447 HG3 PRO 56 HG3 PRO 56 -11.199 -6.694 -3.828 448 HD2 PRO 56 HD2 PRO 56 -11.449 -4.412 -5.739 449 HD3 PRO 56 HD3 PRO 56 -11.407 -4.398 -3.965 450 H ALA 57 H ALA 57 -8.369 -3.912 -6.667 451 HA ALA 57 HA ALA 57 -7.183 -4.890 -8.874 452 HB1 ALA 57 HB1 ALA 57 -6.155 -2.717 -9.212 453 HB2 ALA 57 HB2 ALA 57 -6.377 -2.329 -7.506 454 HB3 ALA 57 HB3 ALA 57 -7.781 -2.535 -8.553 455 H LEU 58 H LEU 58 -5.726 -4.678 -5.729 456 HA LEU 58 HA LEU 58 -3.048 -4.740 -6.339 457 HB2 LEU 58 HB2 LEU 58 -2.939 -6.288 -4.211 458 HB3 LEU 58 HB3 LEU 58 -3.341 -4.588 -4.092 459 HG LEU 58 HG LEU 58 -5.775 -5.271 -4.095 460 HD11 LEU 58 HD11 LEU 58 -6.125 -7.645 -3.270 461 HD12 LEU 58 HD12 LEU 58 -4.502 -7.980 -3.876 462 HD13 LEU 58 HD13 LEU 58 -5.765 -7.442 -4.981 463 HD21 LEU 58 HD21 LEU 58 -3.993 -6.223 -1.861 464 HD22 LEU 58 HD22 LEU 58 -5.728 -5.931 -1.728 465 HD23 LEU 58 HD23 LEU 58 -4.632 -4.594 -2.075 466 H ARG 59 H ARG 59 -5.380 -7.323 -6.610 467 HA ARG 59 HA ARG 59 -3.698 -9.485 -6.897 468 HB2 ARG 59 HB2 ARG 59 -6.288 -8.941 -8.362 469 HB3 ARG 59 HB3 ARG 59 -5.504 -10.512 -8.257 470 HG2 ARG 59 HG2 ARG 59 -5.791 -10.493 -5.830 471 HG3 ARG 59 HG3 ARG 59 -6.582 -8.919 -5.939 472 HD2 ARG 59 HD2 ARG 59 -8.343 -9.903 -7.325 473 HD3 ARG 59 HD3 ARG 59 -7.549 -11.474 -7.219 474 HE ARG 59 HE ARG 59 -8.041 -10.523 -4.625 475 HH11 ARG 59 HH11 ARG 59 -9.763 -11.706 -7.414 476 HH12 ARG 59 HH12 ARG 59 -11.084 -12.340 -6.490 477 HH21 ARG 59 HH21 ARG 59 -9.775 -11.354 -3.401 478 HH22 ARG 59 HH22 ARG 59 -11.091 -12.138 -4.208 479 H SER 60 H SER 60 -4.823 -7.222 -9.377 480 HA SER 60 HA SER 60 -3.407 -8.295 -11.489 481 HB2 SER 60 HB2 SER 60 -4.159 -5.395 -11.036 482 HB3 SER 60 HB3 SER 60 -3.694 -6.097 -12.585 483 HG SER 60 HG SER 60 -6.022 -5.930 -12.121 484 H LEU 61 H LEU 61 -2.331 -6.213 -8.913 485 HA LEU 61 HA LEU 61 0.105 -5.403 -10.201 486 HB2 LEU 61 HB2 LEU 61 -0.952 -5.181 -7.400 487 HB3 LEU 61 HB3 LEU 61 0.723 -4.797 -7.761 488 HG LEU 61 HG LEU 61 -0.358 -3.254 -9.602 489 HD11 LEU 61 HD11 LEU 61 -2.466 -2.285 -8.877 490 HD12 LEU 61 HD12 LEU 61 -2.554 -3.441 -7.549 491 HD13 LEU 61 HD13 LEU 61 -2.647 -4.006 -9.216 492 HD21 LEU 61 HD21 LEU 61 -0.306 -1.415 -7.998 493 HD22 LEU 61 HD22 LEU 61 1.058 -2.509 -7.776 494 HD23 LEU 61 HD23 LEU 61 -0.313 -2.573 -6.669 495 H LEU 62 H LEU 62 -0.926 -8.095 -8.263 496 HA LEU 62 HA LEU 62 1.591 -8.963 -7.250 497 HB2 LEU 62 HB2 LEU 62 -0.861 -10.563 -7.995 498 HB3 LEU 62 HB3 LEU 62 0.501 -11.171 -7.080 499 HG LEU 62 HG LEU 62 -1.155 -8.861 -6.088 500 HD11 LEU 62 HD11 LEU 62 -2.609 -10.819 -6.534 501 HD12 LEU 62 HD12 LEU 62 -2.490 -10.410 -4.825 502 HD13 LEU 62 HD13 LEU 62 -1.584 -11.778 -5.468 503 HD21 LEU 62 HD21 LEU 62 1.046 -9.245 -5.041 504 HD22 LEU 62 HD22 LEU 62 0.561 -10.893 -4.661 505 HD23 LEU 62 HD23 LEU 62 -0.284 -9.535 -3.919 506 H HIS 63 H HIS 63 -0.158 -9.248 -10.254 507 HA HIS 63 HA HIS 63 1.394 -11.153 -11.539 508 HB2 HIS 63 HB2 HIS 63 -0.763 -10.283 -12.392 509 HB3 HIS 63 HB3 HIS 63 0.018 -8.752 -12.769 510 HD1 HIS 63 HD1 HIS 63 -0.456 -12.200 -14.033 511 HD2 HIS 63 HD2 HIS 63 1.794 -8.841 -14.993 512 HE1 HIS 63 HE1 HIS 63 0.424 -12.620 -16.351 513 HE2 HIS 63 HE2 HIS 63 1.849 -10.611 -16.879 514 H ARG 64 H ARG 64 1.798 -7.630 -11.348 515 HA ARG 64 HA ARG 64 4.139 -7.621 -13.041 516 HB2 ARG 64 HB2 ARG 64 2.992 -5.496 -11.216 517 HB3 ARG 64 HB3 ARG 64 4.318 -5.255 -12.343 518 HG2 ARG 64 HG2 ARG 64 2.767 -5.876 -14.191 519 HG3 ARG 64 HG3 ARG 64 1.459 -5.899 -13.009 520 HD2 ARG 64 HD2 ARG 64 1.907 -3.550 -12.476 521 HD3 ARG 64 HD3 ARG 64 3.207 -3.531 -13.667 522 HE ARG 64 HE ARG 64 0.478 -4.176 -14.524 523 HH11 ARG 64 HH11 ARG 64 3.230 -2.041 -14.563 524 HH12 ARG 64 HH12 ARG 64 2.645 -1.102 -15.896 525 HH21 ARG 64 HH21 ARG 64 -0.300 -2.946 -16.280 526 HH22 ARG 64 HH22 ARG 64 0.638 -1.615 -16.871 527 H ASN 65 H ASN 65 3.395 -8.532 -9.946 528 HA ASN 65 HA ASN 65 4.623 -9.316 -8.229 529 HB2 ASN 65 HB2 ASN 65 6.404 -9.498 -10.419 530 HB3 ASN 65 HB3 ASN 65 7.321 -8.855 -9.059 531 HD21 ASN 65 HD21 ASN 65 5.516 -10.204 -7.134 532 HD22 ASN 65 HD22 ASN 65 5.998 -11.863 -7.152 533 H LEU 66 H LEU 66 4.130 -6.333 -8.791 534 HA LEU 66 HA LEU 66 6.273 -5.013 -7.374 535 HB2 LEU 66 HB2 LEU 66 3.516 -3.876 -7.574 536 HB3 LEU 66 HB3 LEU 66 5.049 -3.038 -7.557 537 HG LEU 66 HG LEU 66 3.764 -4.482 -9.863 538 HD11 LEU 66 HD11 LEU 66 4.014 -2.317 -10.953 539 HD12 LEU 66 HD12 LEU 66 4.775 -1.667 -9.501 540 HD13 LEU 66 HD13 LEU 66 3.084 -2.172 -9.461 541 HD21 LEU 66 HD21 LEU 66 5.768 -4.084 -11.160 542 HD22 LEU 66 HD22 LEU 66 6.154 -5.095 -9.767 543 HD23 LEU 66 HD23 LEU 66 6.568 -3.381 -9.756 544 H VAL 67 H VAL 67 3.282 -6.566 -6.707 545 HA VAL 67 HA VAL 67 3.716 -6.218 -3.823 546 HB VAL 67 HB VAL 67 1.614 -5.260 -4.437 547 HG11 VAL 67 HG11 VAL 67 1.282 -6.160 -6.602 548 HG12 VAL 67 HG12 VAL 67 -0.122 -6.587 -5.622 549 HG13 VAL 67 HG13 VAL 67 1.121 -7.790 -5.960 550 HG21 VAL 67 HG21 VAL 67 1.180 -8.018 -3.315 551 HG22 VAL 67 HG22 VAL 67 0.004 -6.703 -3.253 552 HG23 VAL 67 HG23 VAL 67 1.541 -6.556 -2.398 553 H LEU 68 H LEU 68 3.186 -8.115 -2.464 554 HA LEU 68 HA LEU 68 3.699 -10.617 -3.920 555 HB2 LEU 68 HB2 LEU 68 5.594 -9.535 -2.381 556 HB3 LEU 68 HB3 LEU 68 4.677 -10.341 -1.125 557 HG LEU 68 HG LEU 68 5.850 -11.722 -3.541 558 HD11 LEU 68 HD11 LEU 68 6.795 -11.662 -0.679 559 HD12 LEU 68 HD12 LEU 68 7.594 -10.899 -2.055 560 HD13 LEU 68 HD13 LEU 68 7.470 -12.657 -1.969 561 HD21 LEU 68 HD21 LEU 68 3.861 -12.834 -2.679 562 HD22 LEU 68 HD22 LEU 68 4.545 -12.820 -1.053 563 HD23 LEU 68 HD23 LEU 68 5.309 -13.776 -2.323 564 H ARG 69 H ARG 69 2.109 -12.065 -3.614 565 HA ARG 69 HA ARG 69 0.147 -11.555 -1.494 566 HB2 ARG 69 HB2 ARG 69 -1.156 -13.380 -2.695 567 HB3 ARG 69 HB3 ARG 69 -0.995 -11.842 -3.532 568 HG2 ARG 69 HG2 ARG 69 0.507 -12.697 -5.076 569 HG3 ARG 69 HG3 ARG 69 0.922 -14.077 -4.056 570 HD2 ARG 69 HD2 ARG 69 -1.298 -15.016 -4.409 571 HD3 ARG 69 HD3 ARG 69 -1.743 -13.624 -5.397 572 HE ARG 69 HE ARG 69 0.558 -14.804 -6.483 573 HH11 ARG 69 HH11 ARG 69 -2.833 -15.479 -6.040 574 HH12 ARG 69 HH12 ARG 69 -2.946 -16.490 -7.442 575 HH21 ARG 69 HH21 ARG 69 0.416 -16.135 -8.331 576 HH22 ARG 69 HH22 ARG 69 -1.100 -16.863 -8.743 577 H THR 70 H THR 70 -0.352 -13.132 0.024 578 HA THR 70 HA THR 70 1.468 -15.421 0.064 579 HB THR 70 HB THR 70 0.150 -14.201 2.485 580 HG1 THR 70 HG1 THR 70 2.792 -13.593 1.725 581 HG21 THR 70 HG21 THR 70 1.102 -16.183 3.191 582 HG22 THR 70 HG22 THR 70 2.461 -15.076 3.391 583 HG23 THR 70 HG23 THR 70 2.377 -16.124 1.974 584 H HIS 71 H HIS 71 0.562 -17.038 1.847 585 HA HIS 71 HA HIS 71 -0.935 -18.912 0.908 586 HB2 HIS 71 HB2 HIS 71 -0.330 -17.931 3.502 587 HB3 HIS 71 HB3 HIS 71 -1.972 -18.548 3.524 588 HD1 HIS 71 HD1 HIS 71 -2.085 -21.126 2.386 589 HD2 HIS 71 HD2 HIS 71 1.514 -19.790 3.978 590 HE1 HIS 71 HE1 HIS 71 -0.721 -23.201 2.793 591 HE2 HIS 71 HE2 HIS 71 1.418 -22.376 3.840 592 H GLN 72 H GLN 72 -2.847 -16.858 3.109 593 HA GLN 72 HA GLN 72 -4.673 -15.382 1.981 594 HB2 GLN 72 HB2 GLN 72 -4.893 -16.910 0.052 595 HB3 GLN 72 HB3 GLN 72 -5.397 -18.190 1.148 596 HG2 GLN 72 HG2 GLN 72 -7.356 -16.873 1.782 597 HG3 GLN 72 HG3 GLN 72 -6.851 -15.596 0.674 598 HE21 GLN 72 HE21 GLN 72 -7.021 -15.926 -1.542 599 HE22 GLN 72 HE22 GLN 72 -7.990 -17.189 -2.212 600 HA PRO 73 HA PRO 73 -6.044 -13.816 3.918 601 HB2 PRO 73 HB2 PRO 73 -3.897 -14.236 5.970 602 HB3 PRO 73 HB3 PRO 73 -5.102 -12.946 5.862 603 HG2 PRO 73 HG2 PRO 73 -5.443 -15.079 7.467 604 HG3 PRO 73 HG3 PRO 73 -6.800 -14.278 6.659 605 HD2 PRO 73 HD2 PRO 73 -5.679 -16.934 6.186 606 HD3 PRO 73 HD3 PRO 73 -7.211 -16.247 5.616 607 H ALA 74 H ALA 74 -5.221 -13.341 2.029 608 HA ALA 74 HA ALA 74 -2.620 -14.074 1.144 609 HB1 ALA 74 HB1 ALA 74 -4.471 -13.710 -0.421 610 HB2 ALA 74 HB2 ALA 74 -3.086 -12.688 -0.808 611 HB3 ALA 74 HB3 ALA 74 -4.492 -11.998 0.002 612 H ARG 75 H ARG 75 -1.238 -13.311 2.785 613 HA ARG 75 HA ARG 75 -1.115 -10.614 3.638 614 HB2 ARG 75 HB2 ARG 75 1.215 -12.529 3.486 615 HB3 ARG 75 HB3 ARG 75 0.997 -11.192 4.599 616 HG2 ARG 75 HG2 ARG 75 -0.567 -12.335 5.876 617 HG3 ARG 75 HG3 ARG 75 -0.940 -13.471 4.578 618 HD2 ARG 75 HD2 ARG 75 1.041 -14.683 4.913 619 HD3 ARG 75 HD3 ARG 75 1.774 -13.384 5.862 620 HE ARG 75 HE ARG 75 -0.523 -14.261 7.194 621 HH11 ARG 75 HH11 ARG 75 2.636 -15.440 6.315 622 HH12 ARG 75 HH12 ARG 75 2.752 -16.515 7.666 623 HH21 ARG 75 HH21 ARG 75 -0.379 -15.674 8.976 624 HH22 ARG 75 HH22 ARG 75 1.039 -16.650 9.179 625 H TYR 76 H TYR 76 -0.518 -8.853 2.481 626 HA TYR 76 HA TYR 76 1.023 -9.257 0.081 627 HB2 TYR 76 HB2 TYR 76 -0.513 -6.884 1.133 628 HB3 TYR 76 HB3 TYR 76 0.364 -6.884 -0.395 629 HD1 TYR 76 HD1 TYR 76 -0.252 -8.879 -2.015 630 HD2 TYR 76 HD2 TYR 76 -2.762 -7.448 1.108 631 HE1 TYR 76 HE1 TYR 76 -2.204 -9.860 -3.147 632 HE2 TYR 76 HE2 TYR 76 -4.722 -8.424 -0.015 633 HH TYR 76 HH TYR 76 -4.469 -10.643 -2.558 634 H SER 77 H SER 77 2.843 -7.973 -0.501 635 HA SER 77 HA SER 77 4.214 -6.598 1.590 636 HB2 SER 77 HB2 SER 77 5.456 -9.120 0.472 637 HB3 SER 77 HB3 SER 77 6.276 -7.955 1.512 638 HG SER 77 HG SER 77 5.433 -9.729 2.693 639 H LEU 78 H LEU 78 5.606 -5.109 0.806 640 HA LEU 78 HA LEU 78 5.437 -4.486 -1.981 641 HB2 LEU 78 HB2 LEU 78 6.891 -3.307 0.356 642 HB3 LEU 78 HB3 LEU 78 7.290 -2.795 -1.268 643 HG LEU 78 HG LEU 78 4.714 -2.405 0.227 644 HD11 LEU 78 HD11 LEU 78 6.544 -0.503 -1.226 645 HD12 LEU 78 HD12 LEU 78 6.555 -0.790 0.514 646 HD13 LEU 78 HD13 LEU 78 5.136 -0.079 -0.253 647 HD21 LEU 78 HD21 LEU 78 5.200 -2.013 -2.724 648 HD22 LEU 78 HD22 LEU 78 3.792 -1.433 -1.836 649 HD23 LEU 78 HD23 LEU 78 4.084 -3.165 -1.991 650 H THR 79 H THR 79 6.687 -5.293 -3.561 651 HA THR 79 HA THR 79 9.191 -6.577 -2.896 652 HB THR 79 HB THR 79 8.761 -6.521 -5.701 653 HG1 THR 79 HG1 THR 79 6.665 -6.207 -5.739 654 HG21 THR 79 HG21 THR 79 9.722 -8.387 -4.405 655 HG22 THR 79 HG22 THR 79 8.382 -8.920 -5.419 656 HG23 THR 79 HG23 THR 79 8.140 -8.689 -3.688 657 HA PRO 80 HA PRO 80 12.273 -3.693 -4.362 658 HB2 PRO 80 HB2 PRO 80 12.124 -4.827 -7.136 659 HB3 PRO 80 HB3 PRO 80 13.541 -4.366 -6.191 660 HG2 PRO 80 HG2 PRO 80 12.855 -6.917 -6.384 661 HG3 PRO 80 HG3 PRO 80 13.418 -6.259 -4.836 662 HD2 PRO 80 HD2 PRO 80 10.675 -7.016 -5.689 663 HD3 PRO 80 HD3 PRO 80 11.405 -7.047 -4.072 664 H GLU 81 H GLU 81 9.887 -4.185 -6.981 665 HA GLU 81 HA GLU 81 10.140 -1.484 -7.911 666 HB2 GLU 81 HB2 GLU 81 8.066 -3.596 -8.514 667 HB3 GLU 81 HB3 GLU 81 8.211 -2.056 -9.349 668 HG2 GLU 81 HG2 GLU 81 10.451 -2.687 -10.109 669 HG3 GLU 81 HG3 GLU 81 10.279 -4.242 -9.296 670 H GLY 82 H GLY 82 7.830 -3.233 -5.854 671 HA2 GLY 82 HA2 GLY 82 5.921 -1.081 -5.735 672 HA3 GLY 82 HA3 GLY 82 5.984 -2.473 -4.670 673 H LEU 83 H LEU 83 8.808 -1.975 -4.017 674 HA LEU 83 HA LEU 83 8.429 -0.303 -1.767 675 HB2 LEU 83 HB2 LEU 83 10.244 -2.227 -2.482 676 HB3 LEU 83 HB3 LEU 83 11.201 -0.770 -2.619 677 HG LEU 83 HG LEU 83 11.520 -1.724 -0.429 678 HD11 LEU 83 HD11 LEU 83 11.525 0.697 -0.532 679 HD12 LEU 83 HD12 LEU 83 10.823 0.150 0.992 680 HD13 LEU 83 HD13 LEU 83 9.776 0.729 -0.303 681 HD21 LEU 83 HD21 LEU 83 9.444 -2.997 -0.286 682 HD22 LEU 83 HD22 LEU 83 8.537 -1.496 -0.091 683 HD23 LEU 83 HD23 LEU 83 9.687 -1.997 1.147 684 H GLU 84 H GLU 84 10.419 0.044 -4.684 685 HA GLU 84 HA GLU 84 11.206 2.663 -4.255 686 HB2 GLU 84 HB2 GLU 84 10.714 1.303 -6.913 687 HB3 GLU 84 HB3 GLU 84 11.642 2.779 -6.685 688 HG2 GLU 84 HG2 GLU 84 13.248 1.547 -5.314 689 HG3 GLU 84 HG3 GLU 84 12.319 0.075 -5.575 690 H LEU 85 H LEU 85 8.400 1.445 -6.017 691 HA LEU 85 HA LEU 85 7.512 3.934 -7.061 692 HB2 LEU 85 HB2 LEU 85 6.811 1.650 -7.849 693 HB3 LEU 85 HB3 LEU 85 5.881 1.489 -6.374 694 HG LEU 85 HG LEU 85 5.363 3.810 -8.193 695 HD11 LEU 85 HD11 LEU 85 4.240 1.031 -8.526 696 HD12 LEU 85 HD12 LEU 85 5.326 1.854 -9.646 697 HD13 LEU 85 HD13 LEU 85 3.696 2.473 -9.383 698 HD21 LEU 85 HD21 LEU 85 3.628 2.183 -6.336 699 HD22 LEU 85 HD22 LEU 85 3.106 3.583 -7.273 700 HD23 LEU 85 HD23 LEU 85 4.305 3.774 -5.995 701 H ALA 86 H ALA 86 6.668 2.013 -4.190 702 HA ALA 86 HA ALA 86 4.758 3.843 -3.169 703 HB1 ALA 86 HB1 ALA 86 6.410 1.824 -1.654 704 HB2 ALA 86 HB2 ALA 86 4.872 1.499 -2.454 705 HB3 ALA 86 HB3 ALA 86 4.936 2.607 -1.084 706 H GLN 87 H GLN 87 8.234 3.634 -2.907 707 HA GLN 87 HA GLN 87 8.601 5.338 -0.675 708 HB2 GLN 87 HB2 GLN 87 10.287 3.831 -2.097 709 HB3 GLN 87 HB3 GLN 87 10.567 5.358 -2.920 710 HG2 GLN 87 HG2 GLN 87 11.071 6.379 -0.709 711 HG3 GLN 87 HG3 GLN 87 10.948 4.770 0.002 712 HE21 GLN 87 HE21 GLN 87 12.807 6.862 -2.057 713 HE22 GLN 87 HE22 GLN 87 14.232 5.887 -2.103 714 H LYS 88 H LYS 88 8.365 5.883 -4.139 715 HA LYS 88 HA LYS 88 8.607 8.612 -4.119 716 HB2 LYS 88 HB2 LYS 88 6.885 7.047 -6.038 717 HB3 LYS 88 HB3 LYS 88 7.747 8.548 -6.342 718 HG2 LYS 88 HG2 LYS 88 9.871 7.410 -6.143 719 HG3 LYS 88 HG3 LYS 88 9.056 5.919 -5.711 720 HD2 LYS 88 HD2 LYS 88 7.939 5.948 -7.932 721 HD3 LYS 88 HD3 LYS 88 8.933 7.344 -8.358 722 HE2 LYS 88 HE2 LYS 88 10.023 4.662 -7.498 723 HE3 LYS 88 HE3 LYS 88 9.843 5.176 -9.177 724 HZ1 LYS 88 HZ1 LYS 88 12.093 5.530 -8.375 725 HZ2 LYS 88 HZ2 LYS 88 11.523 6.520 -7.129 726 HZ3 LYS 88 HZ3 LYS 88 11.357 7.009 -8.739 727 H LEU 89 H LEU 89 5.663 6.662 -3.813 728 HA LEU 89 HA LEU 89 3.788 8.784 -4.014 729 HB2 LEU 89 HB2 LEU 89 3.763 6.000 -2.899 730 HB3 LEU 89 HB3 LEU 89 2.402 7.072 -2.645 731 HG LEU 89 HG LEU 89 1.920 7.160 -4.963 732 HD11 LEU 89 HD11 LEU 89 3.256 6.158 -6.688 733 HD12 LEU 89 HD12 LEU 89 4.421 5.592 -5.495 734 HD13 LEU 89 HD13 LEU 89 4.231 7.318 -5.787 735 HD21 LEU 89 HD21 LEU 89 2.645 4.351 -4.168 736 HD22 LEU 89 HD22 LEU 89 1.592 4.781 -5.515 737 HD23 LEU 89 HD23 LEU 89 1.114 5.173 -3.864 738 H ALA 90 H ALA 90 5.757 7.394 -1.522 739 HA ALA 90 HA ALA 90 4.584 8.576 0.701 740 HB1 ALA 90 HB1 ALA 90 6.649 8.084 1.869 741 HB2 ALA 90 HB2 ALA 90 7.493 7.882 0.333 742 HB3 ALA 90 HB3 ALA 90 6.224 6.750 0.797 743 H GLU 91 H GLU 91 6.837 9.879 -1.608 744 HA GLU 91 HA GLU 91 7.876 12.052 -0.152 745 HB2 GLU 91 HB2 GLU 91 7.230 12.156 -3.091 746 HB3 GLU 91 HB3 GLU 91 8.525 12.982 -2.232 747 HG2 GLU 91 HG2 GLU 91 9.658 10.887 -1.854 748 HG3 GLU 91 HG3 GLU 91 8.323 10.016 -2.608 749 H SER 92 H SER 92 5.068 11.809 -2.282 750 HA SER 92 HA SER 92 4.049 14.303 -1.999 751 HB2 SER 92 HB2 SER 92 3.181 12.612 -3.552 752 HB3 SER 92 HB3 SER 92 2.479 11.725 -2.202 753 HG SER 92 HG SER 92 1.211 13.627 -1.774 754 H GLU 93 H GLU 93 3.901 11.707 0.338 755 HA GLU 93 HA GLU 93 1.927 13.126 1.978 756 HB2 GLU 93 HB2 GLU 93 3.274 10.508 2.617 757 HB3 GLU 93 HB3 GLU 93 1.777 11.146 3.275 758 HG2 GLU 93 HG2 GLU 93 2.130 10.352 0.402 759 HG3 GLU 93 HG3 GLU 93 1.518 9.275 1.655 760 H GLY 94 H GLY 94 5.186 13.104 1.437 761 HA2 GLY 94 HA2 GLY 94 6.783 14.402 2.584 762 HA3 GLY 94 HA3 GLY 94 5.669 14.532 3.943 763 H LEU 95 H LEU 95 5.427 11.461 3.056 764 HA LEU 95 HA LEU 95 6.298 9.448 3.632 765 HB2 LEU 95 HB2 LEU 95 8.548 10.878 3.025 766 HB3 LEU 95 HB3 LEU 95 8.859 10.416 4.688 767 HG LEU 95 HG LEU 95 8.530 8.665 2.278 768 HD11 LEU 95 HD11 LEU 95 10.568 8.781 4.492 769 HD12 LEU 95 HD12 LEU 95 10.767 9.405 2.855 770 HD13 LEU 95 HD13 LEU 95 10.596 7.670 3.122 771 HD21 LEU 95 HD21 LEU 95 7.012 7.692 3.870 772 HD22 LEU 95 HD22 LEU 95 8.218 7.815 5.154 773 HD23 LEU 95 HD23 LEU 95 8.478 6.712 3.804 774 H SER 96 H SER 96 5.089 11.538 5.417 775 HA SER 96 HA SER 96 6.013 10.580 8.020 776 HB2 SER 96 HB2 SER 96 4.147 12.846 7.272 777 HB3 SER 96 HB3 SER 96 4.619 12.436 8.922 778 HG SER 96 HG SER 96 5.864 14.142 7.825 779 H LEU 97 H LEU 97 4.578 8.749 6.414 780 HA LEU 97 HA LEU 97 1.789 8.742 7.064 781 HB2 LEU 97 HB2 LEU 97 3.584 6.542 6.039 782 HB3 LEU 97 HB3 LEU 97 1.843 6.417 6.196 783 HG LEU 97 HG LEU 97 1.704 8.402 4.595 784 HD11 LEU 97 HD11 LEU 97 3.990 9.174 4.748 785 HD12 LEU 97 HD12 LEU 97 3.639 8.672 3.095 786 HD13 LEU 97 HD13 LEU 97 4.583 7.623 4.153 787 HD21 LEU 97 HD21 LEU 97 1.965 6.962 2.633 788 HD22 LEU 97 HD22 LEU 97 1.135 6.128 3.948 789 HD23 LEU 97 HD23 LEU 97 2.834 5.783 3.616 790 H LEU 98 H LEU 98 3.832 5.955 7.776 791 HA LEU 98 HA LEU 98 2.748 5.968 10.480 792 HB2 LEU 98 HB2 LEU 98 2.510 3.956 9.101 793 HB3 LEU 98 HB3 LEU 98 4.254 3.828 8.980 794 HG LEU 98 HG LEU 98 4.381 3.473 11.425 795 HD11 LEU 98 HD11 LEU 98 2.329 2.988 12.669 796 HD12 LEU 98 HD12 LEU 98 1.370 3.447 11.262 797 HD13 LEU 98 HD13 LEU 98 2.359 4.652 12.085 798 HD21 LEU 98 HD21 LEU 98 4.313 1.567 9.909 799 HD22 LEU 98 HD22 LEU 98 2.550 1.579 9.958 800 HD23 LEU 98 HD23 LEU 98 3.469 1.204 11.415 801 H ASN 99 H ASN 99 5.926 5.064 9.123 802 HA ASN 99 HA ASN 99 7.307 5.345 11.540 803 HB2 ASN 99 HB2 ASN 99 8.361 5.532 8.711 804 HB3 ASN 99 HB3 ASN 99 9.358 5.332 10.149 805 HD21 ASN 99 HD21 ASN 99 7.079 3.825 8.003 806 HD22 ASN 99 HD22 ASN 99 7.340 2.204 8.538 807 H VAL 100 H VAL 100 7.087 7.226 12.628 808 HA VAL 100 HA VAL 100 8.320 9.587 11.430 809 HB VAL 100 HB VAL 100 6.523 11.056 12.351 810 HG11 VAL 100 HG11 VAL 100 4.939 10.654 10.525 811 HG12 VAL 100 HG12 VAL 100 5.660 9.067 10.254 812 HG13 VAL 100 HG13 VAL 100 6.610 10.527 9.977 813 HG21 VAL 100 HG21 VAL 100 5.034 8.450 12.662 814 HG22 VAL 100 HG22 VAL 100 4.330 10.057 12.826 815 HG23 VAL 100 HG23 VAL 100 5.561 9.512 13.967 816 H GLY 101 H GLY 101 9.406 10.877 12.864 817 HA2 GLY 101 HA2 GLY 101 9.320 11.466 15.379 818 HA3 GLY 101 HA3 GLY 101 9.693 9.759 15.569 819 H ILE 102 H ILE 102 11.736 8.979 14.866 820 HA ILE 102 HA ILE 102 13.737 10.964 14.144 821 HB ILE 102 HB ILE 102 15.290 9.948 15.929 822 HG12 ILE 102 HG12 ILE 102 14.006 9.344 18.034 823 HG13 ILE 102 HG13 ILE 102 12.576 9.190 17.020 824 HG21 ILE 102 HG21 ILE 102 14.556 12.258 15.940 825 HG22 ILE 102 HG22 ILE 102 14.573 11.612 17.581 826 HG23 ILE 102 HG23 ILE 102 13.044 11.794 16.721 827 HD11 ILE 102 HD11 ILE 102 13.628 7.036 17.490 828 HD12 ILE 102 HD12 ILE 102 15.108 7.595 16.710 829 HD13 ILE 102 HD13 ILE 102 13.631 7.409 15.767 830 H GLY 103 H GLY 103 15.964 9.784 13.924 831 HA2 GLY 103 HA2 GLY 103 16.468 7.145 13.626 832 HA3 GLY 103 HA3 GLY 103 15.493 7.505 12.209 Start of MODEL 16 1 H GLY 1 H GLY 1 9.797 2.910 -20.264 2 HA2 GLY 1 HA2 GLY 1 7.384 2.955 -20.396 3 HA3 GLY 1 HA3 GLY 1 7.368 1.203 -20.258 4 H SER 2 H SER 2 7.216 4.107 -18.584 5 HA SER 2 HA SER 2 8.054 2.929 -16.046 6 HB2 SER 2 HB2 SER 2 7.184 5.751 -16.713 7 HB3 SER 2 HB3 SER 2 7.778 5.212 -15.143 8 HG SER 2 HG SER 2 9.750 5.273 -15.878 9 H TYR 3 H TYR 3 6.537 3.923 -14.162 10 HA TYR 3 HA TYR 3 3.729 3.534 -14.834 11 HB2 TYR 3 HB2 TYR 3 4.569 1.275 -14.267 12 HB3 TYR 3 HB3 TYR 3 5.113 1.883 -12.707 13 HD1 TYR 3 HD1 TYR 3 2.092 1.307 -14.781 14 HD2 TYR 3 HD2 TYR 3 3.635 2.006 -10.878 15 HE1 TYR 3 HE1 TYR 3 -0.118 0.807 -13.825 16 HE2 TYR 3 HE2 TYR 3 1.431 1.506 -9.911 17 HH TYR 3 HH TYR 3 -0.926 1.500 -10.602 18 H TRP 4 H TRP 4 2.539 5.023 -13.811 19 HA TRP 4 HA TRP 4 3.086 5.744 -11.055 20 HB2 TRP 4 HB2 TRP 4 4.609 7.183 -12.394 21 HB3 TRP 4 HB3 TRP 4 3.209 7.832 -13.239 22 HD1 TRP 4 HD1 TRP 4 1.542 9.423 -11.796 23 HE1 TRP 4 HE1 TRP 4 1.988 10.864 -9.710 24 HE3 TRP 4 HE3 TRP 4 5.937 7.305 -10.270 25 HZ2 TRP 4 HZ2 TRP 4 3.945 11.076 -7.686 26 HZ3 TRP 4 HZ3 TRP 4 7.032 8.185 -8.251 27 HH2 TRP 4 HH2 TRP 4 6.055 10.030 -6.986 28 HA PRO 5 HA PRO 5 -1.417 5.792 -11.841 29 HB2 PRO 5 HB2 PRO 5 -1.530 5.568 -8.912 30 HB3 PRO 5 HB3 PRO 5 -2.223 4.510 -10.143 31 HG2 PRO 5 HG2 PRO 5 -0.123 3.757 -8.640 32 HG3 PRO 5 HG3 PRO 5 -0.306 3.245 -10.327 33 HD2 PRO 5 HD2 PRO 5 1.434 5.393 -9.173 34 HD3 PRO 5 HD3 PRO 5 1.797 4.212 -10.452 35 H ALA 6 H ALA 6 -3.179 7.025 -10.410 36 HA ALA 6 HA ALA 6 -2.509 9.749 -10.462 37 HB1 ALA 6 HB1 ALA 6 -4.737 10.152 -9.604 38 HB2 ALA 6 HB2 ALA 6 -4.880 8.465 -9.112 39 HB3 ALA 6 HB3 ALA 6 -4.785 8.879 -10.823 40 H ARG 7 H ARG 7 -3.840 10.714 -8.105 41 HA ARG 7 HA ARG 7 -1.679 10.342 -6.191 42 HB2 ARG 7 HB2 ARG 7 -3.934 12.354 -6.256 43 HB3 ARG 7 HB3 ARG 7 -2.613 12.348 -5.096 44 HG2 ARG 7 HG2 ARG 7 -1.014 12.716 -6.897 45 HG3 ARG 7 HG3 ARG 7 -2.329 12.698 -8.074 46 HD2 ARG 7 HD2 ARG 7 -3.325 14.651 -6.990 47 HD3 ARG 7 HD3 ARG 7 -2.018 14.664 -5.806 48 HE ARG 7 HE ARG 7 -0.837 14.788 -8.311 49 HH11 ARG 7 HH11 ARG 7 -2.998 16.721 -6.380 50 HH12 ARG 7 HH12 ARG 7 -2.479 18.222 -7.070 51 HH21 ARG 7 HH21 ARG 7 -0.146 16.759 -9.225 52 HH22 ARG 7 HH22 ARG 7 -0.858 18.244 -8.687 53 H HIS 8 H HIS 8 -4.679 9.010 -6.689 54 HA HIS 8 HA HIS 8 -4.799 8.076 -3.933 55 HB2 HIS 8 HB2 HIS 8 -7.152 9.411 -5.292 56 HB3 HIS 8 HB3 HIS 8 -7.243 8.513 -3.781 57 HD1 HIS 8 HD1 HIS 8 -6.288 9.649 -1.666 58 HD2 HIS 8 HD2 HIS 8 -6.027 11.969 -5.104 59 HE1 HIS 8 HE1 HIS 8 -5.720 11.967 -0.872 60 HE2 HIS 8 HE2 HIS 8 -5.632 13.368 -2.964 61 H SER 9 H SER 9 -4.629 7.300 -7.032 62 HA SER 9 HA SER 9 -6.646 5.518 -7.626 63 HB2 SER 9 HB2 SER 9 -3.703 5.352 -8.302 64 HB3 SER 9 HB3 SER 9 -4.931 4.307 -9.013 65 HG SER 9 HG SER 9 -4.926 5.911 -10.420 66 H GLY 10 H GLY 10 -6.884 3.251 -7.404 67 HA2 GLY 10 HA2 GLY 10 -6.491 2.186 -4.914 68 HA3 GLY 10 HA3 GLY 10 -6.745 1.210 -6.352 69 H ALA 11 H ALA 11 -4.593 1.181 -7.766 70 HA ALA 11 HA ALA 11 -2.718 -0.285 -6.450 71 HB1 ALA 11 HB1 ALA 11 -1.259 0.037 -8.390 72 HB2 ALA 11 HB2 ALA 11 -2.273 1.378 -8.923 73 HB3 ALA 11 HB3 ALA 11 -2.933 -0.259 -8.868 74 H ARG 12 H ARG 12 -2.947 3.163 -6.549 75 HA ARG 12 HA ARG 12 -0.207 3.750 -5.876 76 HB2 ARG 12 HB2 ARG 12 -2.091 5.228 -7.006 77 HB3 ARG 12 HB3 ARG 12 -2.482 5.610 -5.342 78 HG2 ARG 12 HG2 ARG 12 0.318 5.876 -6.306 79 HG3 ARG 12 HG3 ARG 12 -0.865 7.130 -6.670 80 HD2 ARG 12 HD2 ARG 12 -1.351 7.331 -4.259 81 HD3 ARG 12 HD3 ARG 12 -0.098 6.135 -3.929 82 HE ARG 12 HE ARG 12 1.365 7.882 -5.189 83 HH11 ARG 12 HH11 ARG 12 -1.224 8.538 -2.954 84 HH12 ARG 12 HH12 ARG 12 -0.547 10.036 -2.410 85 HH21 ARG 12 HH21 ARG 12 2.262 9.852 -4.482 86 HH22 ARG 12 HH22 ARG 12 1.433 10.784 -3.279 87 H VAL 13 H VAL 13 -3.327 3.714 -4.242 88 HA VAL 13 HA VAL 13 -2.392 4.547 -1.719 89 HB VAL 13 HB VAL 13 -4.887 3.018 -2.456 90 HG11 VAL 13 HG11 VAL 13 -4.398 2.729 -0.105 91 HG12 VAL 13 HG12 VAL 13 -5.771 3.819 -0.305 92 HG13 VAL 13 HG13 VAL 13 -4.181 4.468 0.090 93 HG21 VAL 13 HG21 VAL 13 -4.691 5.206 -3.544 94 HG22 VAL 13 HG22 VAL 13 -4.459 5.963 -1.970 95 HG23 VAL 13 HG23 VAL 13 -5.993 5.182 -2.355 96 H ILE 14 H ILE 14 -2.910 1.325 -3.136 97 HA ILE 14 HA ILE 14 -2.375 -0.058 -0.805 98 HB ILE 14 HB ILE 14 -2.065 -2.044 -2.197 99 HG12 ILE 14 HG12 ILE 14 -2.207 -0.116 -4.521 100 HG13 ILE 14 HG13 ILE 14 -0.790 -1.041 -4.041 101 HG21 ILE 14 HG21 ILE 14 -4.265 -2.017 -3.246 102 HG22 ILE 14 HG22 ILE 14 -4.314 -0.262 -3.094 103 HG23 ILE 14 HG23 ILE 14 -4.296 -1.271 -1.649 104 HD11 ILE 14 HD11 ILE 14 -2.025 -1.957 -5.991 105 HD12 ILE 14 HD12 ILE 14 -3.377 -2.294 -4.910 106 HD13 ILE 14 HD13 ILE 14 -1.823 -3.086 -4.656 107 H LEU 15 H LEU 15 -0.025 0.092 -3.547 108 HA LEU 15 HA LEU 15 2.054 -0.827 -2.219 109 HB2 LEU 15 HB2 LEU 15 2.324 1.502 -4.114 110 HB3 LEU 15 HB3 LEU 15 3.555 0.321 -3.732 111 HG LEU 15 HG LEU 15 0.966 -0.600 -4.910 112 HD11 LEU 15 HD11 LEU 15 3.282 0.554 -6.457 113 HD12 LEU 15 HD12 LEU 15 1.647 1.211 -6.363 114 HD13 LEU 15 HD13 LEU 15 1.929 -0.340 -7.151 115 HD21 LEU 15 HD21 LEU 15 2.403 -2.348 -5.825 116 HD22 LEU 15 HD22 LEU 15 2.564 -2.244 -4.072 117 HD23 LEU 15 HD23 LEU 15 3.815 -1.567 -5.113 118 H LEU 16 H LEU 16 0.765 2.366 -1.667 119 HA LEU 16 HA LEU 16 3.160 3.425 -0.427 120 HB2 LEU 16 HB2 LEU 16 1.672 4.928 -1.605 121 HB3 LEU 16 HB3 LEU 16 0.315 4.397 -0.632 122 HG LEU 16 HG LEU 16 1.455 5.311 1.366 123 HD11 LEU 16 HD11 LEU 16 3.332 6.495 -0.674 124 HD12 LEU 16 HD12 LEU 16 3.742 5.258 0.513 125 HD13 LEU 16 HD13 LEU 16 3.299 6.880 1.048 126 HD21 LEU 16 HD21 LEU 16 0.968 7.665 0.807 127 HD22 LEU 16 HD22 LEU 16 -0.289 6.552 0.267 128 HD23 LEU 16 HD23 LEU 16 0.863 7.208 -0.895 129 H VAL 17 H VAL 17 0.002 2.133 0.427 130 HA VAL 17 HA VAL 17 0.174 2.643 3.215 131 HB VAL 17 HB VAL 17 -1.891 2.170 1.784 132 HG11 VAL 17 HG11 VAL 17 -0.954 -0.630 2.272 133 HG12 VAL 17 HG12 VAL 17 -1.385 0.141 0.745 134 HG13 VAL 17 HG13 VAL 17 -2.635 -0.225 1.932 135 HG21 VAL 17 HG21 VAL 17 -3.079 1.142 3.721 136 HG22 VAL 17 HG22 VAL 17 -2.081 2.539 4.133 137 HG23 VAL 17 HG23 VAL 17 -1.507 0.908 4.485 138 H LEU 18 H LEU 18 0.765 -0.305 1.243 139 HA LEU 18 HA LEU 18 1.712 -1.846 3.284 140 HB2 LEU 18 HB2 LEU 18 2.808 -1.872 0.464 141 HB3 LEU 18 HB3 LEU 18 2.940 -3.174 1.627 142 HG LEU 18 HG LEU 18 0.580 -2.303 0.026 143 HD11 LEU 18 HD11 LEU 18 1.799 -4.975 0.665 144 HD12 LEU 18 HD12 LEU 18 1.988 -4.067 -0.835 145 HD13 LEU 18 HD13 LEU 18 0.406 -4.704 -0.383 146 HD21 LEU 18 HD21 LEU 18 -0.874 -3.703 1.434 147 HD22 LEU 18 HD22 LEU 18 -0.263 -2.298 2.306 148 HD23 LEU 18 HD23 LEU 18 0.446 -3.888 2.590 149 H TYR 19 H TYR 19 3.196 0.854 1.794 150 HA TYR 19 HA TYR 19 5.948 0.272 2.073 151 HB2 TYR 19 HB2 TYR 19 5.061 2.166 0.759 152 HB3 TYR 19 HB3 TYR 19 4.544 2.939 2.248 153 HD1 TYR 19 HD1 TYR 19 7.588 1.712 0.490 154 HD2 TYR 19 HD2 TYR 19 5.970 4.385 3.378 155 HE1 TYR 19 HE1 TYR 19 9.766 2.843 0.656 156 HE2 TYR 19 HE2 TYR 19 8.142 5.521 3.552 157 HH TYR 19 HH TYR 19 10.647 5.054 1.330 158 H ARG 20 H ARG 20 3.998 2.407 4.195 159 HA ARG 20 HA ARG 20 5.759 2.464 6.240 160 HB2 ARG 20 HB2 ARG 20 3.794 3.877 6.162 161 HB3 ARG 20 HB3 ARG 20 2.749 2.492 6.452 162 HG2 ARG 20 HG2 ARG 20 3.693 2.212 8.668 163 HG3 ARG 20 HG3 ARG 20 4.801 3.555 8.381 164 HD2 ARG 20 HD2 ARG 20 2.921 5.075 8.142 165 HD3 ARG 20 HD3 ARG 20 1.794 3.740 8.378 166 HE ARG 20 HE ARG 20 3.650 4.063 10.544 167 HH11 ARG 20 HH11 ARG 20 0.610 5.126 9.214 168 HH12 ARG 20 HH12 ARG 20 -0.029 5.631 10.743 169 HH21 ARG 20 HH21 ARG 20 2.817 4.724 12.559 170 HH22 ARG 20 HH22 ARG 20 1.226 5.403 12.644 171 H GLU 21 H GLU 21 2.877 0.381 6.567 172 HA GLU 21 HA GLU 21 3.692 -1.113 8.558 173 HB2 GLU 21 HB2 GLU 21 1.485 -1.274 7.407 174 HB3 GLU 21 HB3 GLU 21 2.230 -2.363 6.241 175 HG2 GLU 21 HG2 GLU 21 0.994 -3.533 8.020 176 HG3 GLU 21 HG3 GLU 21 2.698 -3.971 7.952 177 H HIS 22 H HIS 22 5.147 -1.378 5.461 178 HA HIS 22 HA HIS 22 6.051 -4.129 5.805 179 HB2 HIS 22 HB2 HIS 22 5.689 -3.583 3.551 180 HB3 HIS 22 HB3 HIS 22 6.509 -2.036 3.693 181 HD1 HIS 22 HD1 HIS 22 7.065 -5.574 2.862 182 HD2 HIS 22 HD2 HIS 22 9.381 -2.254 3.804 183 HE1 HIS 22 HE1 HIS 22 9.403 -6.154 2.138 184 HE2 HIS 22 HE2 HIS 22 10.802 -4.168 2.803 185 H LEU 23 H LEU 23 7.422 -0.860 5.716 186 HA LEU 23 HA LEU 23 10.001 -1.679 6.527 187 HB2 LEU 23 HB2 LEU 23 8.743 1.055 6.718 188 HB3 LEU 23 HB3 LEU 23 10.461 0.697 6.756 189 HG LEU 23 HG LEU 23 9.049 -0.304 4.377 190 HD11 LEU 23 HD11 LEU 23 7.988 1.952 4.931 191 HD12 LEU 23 HD12 LEU 23 8.672 1.737 3.321 192 HD13 LEU 23 HD13 LEU 23 9.565 2.644 4.544 193 HD21 LEU 23 HD21 LEU 23 11.465 -0.460 4.642 194 HD22 LEU 23 HD22 LEU 23 11.571 1.293 4.797 195 HD23 LEU 23 HD23 LEU 23 11.046 0.572 3.275 196 H ASN 24 H ASN 24 7.317 -1.917 8.295 197 HA ASN 24 HA ASN 24 7.990 -0.626 10.735 198 HB2 ASN 24 HB2 ASN 24 5.966 -2.606 9.851 199 HB3 ASN 24 HB3 ASN 24 6.359 -2.587 11.570 200 HD21 ASN 24 HD21 ASN 24 5.875 -0.794 12.798 201 HD22 ASN 24 HD22 ASN 24 4.817 0.450 12.240 202 HA PRO 25 HA PRO 25 11.288 -3.566 11.724 203 HB2 PRO 25 HB2 PRO 25 11.530 -1.872 14.118 204 HB3 PRO 25 HB3 PRO 25 12.737 -2.258 12.893 205 HG2 PRO 25 HG2 PRO 25 11.629 0.184 13.076 206 HG3 PRO 25 HG3 PRO 25 12.092 -0.525 11.518 207 HD2 PRO 25 HD2 PRO 25 9.380 -0.289 12.761 208 HD3 PRO 25 HD3 PRO 25 9.868 -0.088 11.069 209 H ASN 26 H ASN 26 8.923 -2.286 14.021 210 HA ASN 26 HA ASN 26 9.149 -4.761 15.590 211 HB2 ASN 26 HB2 ASN 26 9.586 -2.622 16.843 212 HB3 ASN 26 HB3 ASN 26 7.926 -2.146 16.499 213 HD21 ASN 26 HD21 ASN 26 9.974 -4.361 18.241 214 HD22 ASN 26 HD22 ASN 26 8.774 -4.904 19.358 215 H GLY 27 H GLY 27 7.750 -4.535 13.099 216 HA2 GLY 27 HA2 GLY 27 5.077 -5.128 13.979 217 HA3 GLY 27 HA3 GLY 27 5.165 -3.787 12.844 218 H HIS 28 H HIS 28 3.714 -5.710 11.908 219 HA HIS 28 HA HIS 28 5.227 -7.839 10.648 220 HB2 HIS 28 HB2 HIS 28 2.887 -8.124 9.472 221 HB3 HIS 28 HB3 HIS 28 3.120 -8.638 11.138 222 HD1 HIS 28 HD1 HIS 28 1.523 -5.904 9.103 223 HD2 HIS 28 HD2 HIS 28 1.612 -7.289 13.019 224 HE1 HIS 28 HE1 HIS 28 -0.300 -4.653 10.300 225 HE2 HIS 28 HE2 HIS 28 -0.172 -5.447 12.687 226 H HIS 29 H HIS 29 6.122 -7.731 8.696 227 HA HIS 29 HA HIS 29 6.021 -5.278 7.205 228 HB2 HIS 29 HB2 HIS 29 7.611 -6.431 5.685 229 HB3 HIS 29 HB3 HIS 29 8.120 -6.478 7.370 230 HD1 HIS 29 HD1 HIS 29 8.291 -8.765 8.487 231 HD2 HIS 29 HD2 HIS 29 6.804 -8.927 4.610 232 HE1 HIS 29 HE1 HIS 29 8.303 -11.201 7.863 233 HE2 HIS 29 HE2 HIS 29 7.485 -11.265 5.482 234 H PHE 30 H PHE 30 3.490 -6.525 7.360 235 HA PHE 30 HA PHE 30 2.790 -6.651 4.607 236 HB2 PHE 30 HB2 PHE 30 1.777 -8.898 4.605 237 HB3 PHE 30 HB3 PHE 30 3.519 -8.976 4.816 238 HD1 PHE 30 HD1 PHE 30 0.269 -9.429 6.430 239 HD2 PHE 30 HD2 PHE 30 4.488 -9.751 6.884 240 HE1 PHE 30 HE1 PHE 30 -0.058 -10.776 8.462 241 HE2 PHE 30 HE2 PHE 30 4.169 -11.100 8.917 242 HZ PHE 30 HZ PHE 30 1.892 -11.613 9.708 243 H LEU 31 H LEU 31 0.379 -7.216 4.385 244 HA LEU 31 HA LEU 31 -1.236 -6.854 6.774 245 HB2 LEU 31 HB2 LEU 31 -0.979 -4.883 4.528 246 HB3 LEU 31 HB3 LEU 31 -2.459 -5.003 5.450 247 HG LEU 31 HG LEU 31 0.250 -4.348 6.595 248 HD11 LEU 31 HD11 LEU 31 -0.604 -2.555 5.192 249 HD12 LEU 31 HD12 LEU 31 -0.660 -2.101 6.895 250 HD13 LEU 31 HD13 LEU 31 -2.137 -2.587 6.063 251 HD21 LEU 31 HD21 LEU 31 -1.173 -5.509 8.194 252 HD22 LEU 31 HD22 LEU 31 -2.483 -4.373 7.871 253 HD23 LEU 31 HD23 LEU 31 -0.996 -3.809 8.632 254 H THR 32 H THR 32 -3.492 -7.284 6.404 255 HA THR 32 HA THR 32 -3.856 -9.196 4.212 256 HB THR 32 HB THR 32 -5.895 -9.903 5.353 257 HG1 THR 32 HG1 THR 32 -6.127 -8.926 7.579 258 HG21 THR 32 HG21 THR 32 -3.807 -10.969 6.027 259 HG22 THR 32 HG22 THR 32 -4.901 -10.824 7.403 260 HG23 THR 32 HG23 THR 32 -3.542 -9.713 7.237 261 H LYS 33 H LYS 33 -6.146 -9.120 3.234 262 HA LYS 33 HA LYS 33 -6.362 -6.697 1.770 263 HB2 LYS 33 HB2 LYS 33 -7.203 -9.080 1.182 264 HB3 LYS 33 HB3 LYS 33 -8.616 -8.655 2.130 265 HG2 LYS 33 HG2 LYS 33 -7.671 -6.946 -0.149 266 HG3 LYS 33 HG3 LYS 33 -8.747 -8.323 -0.389 267 HD2 LYS 33 HD2 LYS 33 -10.338 -7.307 1.213 268 HD3 LYS 33 HD3 LYS 33 -9.274 -5.906 1.339 269 HE2 LYS 33 HE2 LYS 33 -9.567 -5.436 -1.026 270 HE3 LYS 33 HE3 LYS 33 -10.559 -6.882 -1.209 271 HZ1 LYS 33 HZ1 LYS 33 -11.922 -4.904 -1.034 272 HZ2 LYS 33 HZ2 LYS 33 -11.230 -4.519 0.460 273 HZ3 LYS 33 HZ3 LYS 33 -12.180 -5.910 0.304 274 H GLU 34 H GLU 34 -7.997 -8.004 4.594 275 HA GLU 34 HA GLU 34 -9.951 -5.943 4.803 276 HB2 GLU 34 HB2 GLU 34 -8.927 -7.810 6.946 277 HB3 GLU 34 HB3 GLU 34 -10.433 -6.905 6.981 278 HG2 GLU 34 HG2 GLU 34 -9.760 -9.048 4.982 279 HG3 GLU 34 HG3 GLU 34 -10.736 -9.285 6.432 280 H GLU 35 H GLU 35 -6.648 -6.256 5.860 281 HA GLU 35 HA GLU 35 -6.861 -4.277 7.970 282 HB2 GLU 35 HB2 GLU 35 -4.538 -5.752 6.748 283 HB3 GLU 35 HB3 GLU 35 -4.316 -4.449 7.907 284 HG2 GLU 35 HG2 GLU 35 -5.614 -5.691 9.557 285 HG3 GLU 35 HG3 GLU 35 -5.840 -6.997 8.396 286 H LEU 36 H LEU 36 -6.407 -4.317 4.575 287 HA LEU 36 HA LEU 36 -4.784 -1.927 4.420 288 HB2 LEU 36 HB2 LEU 36 -6.342 -3.327 2.250 289 HB3 LEU 36 HB3 LEU 36 -5.124 -2.086 2.028 290 HG LEU 36 HG LEU 36 -4.706 -4.904 2.986 291 HD11 LEU 36 HD11 LEU 36 -4.829 -4.854 0.633 292 HD12 LEU 36 HD12 LEU 36 -3.112 -4.905 1.030 293 HD13 LEU 36 HD13 LEU 36 -3.860 -3.386 0.539 294 HD21 LEU 36 HD21 LEU 36 -2.742 -2.621 2.887 295 HD22 LEU 36 HD22 LEU 36 -2.309 -4.313 3.128 296 HD23 LEU 36 HD23 LEU 36 -3.298 -3.477 4.325 297 H LEU 37 H LEU 37 -8.165 -2.845 4.355 298 HA LEU 37 HA LEU 37 -9.301 -0.555 3.310 299 HB2 LEU 37 HB2 LEU 37 -10.339 -2.252 5.582 300 HB3 LEU 37 HB3 LEU 37 -11.295 -1.111 4.659 301 HG LEU 37 HG LEU 37 -9.981 -3.585 3.531 302 HD11 LEU 37 HD11 LEU 37 -12.870 -3.012 4.171 303 HD12 LEU 37 HD12 LEU 37 -11.817 -4.139 5.027 304 HD13 LEU 37 HD13 LEU 37 -12.261 -4.449 3.348 305 HD21 LEU 37 HD21 LEU 37 -10.169 -1.790 1.891 306 HD22 LEU 37 HD22 LEU 37 -11.879 -1.606 2.276 307 HD23 LEU 37 HD23 LEU 37 -11.300 -3.095 1.531 308 H GLN 38 H GLN 38 -8.458 -1.204 6.709 309 HA GLN 38 HA GLN 38 -9.270 1.427 7.576 310 HB2 GLN 38 HB2 GLN 38 -7.690 -0.715 9.013 311 HB3 GLN 38 HB3 GLN 38 -8.333 0.747 9.750 312 HG2 GLN 38 HG2 GLN 38 -10.602 0.008 9.257 313 HG3 GLN 38 HG3 GLN 38 -9.966 -1.450 8.498 314 HE21 GLN 38 HE21 GLN 38 -9.075 -3.065 9.783 315 HE22 GLN 38 HE22 GLN 38 -9.346 -3.138 11.487 316 H ARG 39 H ARG 39 -6.210 -0.284 7.050 317 HA ARG 39 HA ARG 39 -4.417 1.616 7.767 318 HB2 ARG 39 HB2 ARG 39 -4.208 -0.793 6.677 319 HB3 ARG 39 HB3 ARG 39 -3.890 0.157 5.231 320 HG2 ARG 39 HG2 ARG 39 -1.790 -0.242 6.100 321 HG3 ARG 39 HG3 ARG 39 -2.171 1.387 6.657 322 HD2 ARG 39 HD2 ARG 39 -2.589 -1.109 8.292 323 HD3 ARG 39 HD3 ARG 39 -1.166 -0.081 8.401 324 HE ARG 39 HE ARG 39 -3.292 1.598 8.799 325 HH11 ARG 39 HH11 ARG 39 -2.071 -1.291 10.315 326 HH12 ARG 39 HH12 ARG 39 -2.670 -0.875 11.886 327 HH21 ARG 39 HH21 ARG 39 -4.085 2.155 10.863 328 HH22 ARG 39 HH22 ARG 39 -3.816 1.083 12.197 329 H CYS 40 H CYS 40 -5.877 1.284 4.579 330 HA CYS 40 HA CYS 40 -4.569 3.403 3.271 331 HB2 CYS 40 HB2 CYS 40 -7.308 2.204 2.808 332 HB3 CYS 40 HB3 CYS 40 -6.528 3.342 1.716 333 HG CYS 40 HG CYS 40 -4.271 1.524 1.407 334 H ALA 41 H ALA 41 -7.402 3.311 5.356 335 HA ALA 41 HA ALA 41 -8.366 5.860 4.923 336 HB1 ALA 41 HB1 ALA 41 -9.522 4.146 6.255 337 HB2 ALA 41 HB2 ALA 41 -9.447 5.703 7.081 338 HB3 ALA 41 HB3 ALA 41 -8.362 4.399 7.558 339 H GLN 42 H GLN 42 -5.277 5.551 5.524 340 HA GLN 42 HA GLN 42 -5.122 7.574 7.624 341 HB2 GLN 42 HB2 GLN 42 -3.010 5.523 6.910 342 HB3 GLN 42 HB3 GLN 42 -2.788 6.857 8.033 343 HG2 GLN 42 HG2 GLN 42 -4.561 5.913 9.460 344 HG3 GLN 42 HG3 GLN 42 -4.686 4.544 8.355 345 HE21 GLN 42 HE21 GLN 42 -2.751 6.116 10.772 346 HE22 GLN 42 HE22 GLN 42 -1.662 4.804 11.048 347 H LYS 43 H LYS 43 -4.436 6.418 4.473 348 HA LYS 43 HA LYS 43 -2.482 8.014 3.456 349 HB2 LYS 43 HB2 LYS 43 -3.790 6.259 2.246 350 HB3 LYS 43 HB3 LYS 43 -5.092 7.425 2.061 351 HG2 LYS 43 HG2 LYS 43 -4.086 8.443 0.358 352 HG3 LYS 43 HG3 LYS 43 -2.511 8.422 1.158 353 HD2 LYS 43 HD2 LYS 43 -2.249 6.070 0.557 354 HD3 LYS 43 HD3 LYS 43 -3.808 6.111 -0.269 355 HE2 LYS 43 HE2 LYS 43 -1.392 7.762 -0.987 356 HE3 LYS 43 HE3 LYS 43 -1.945 6.320 -1.840 357 HZ1 LYS 43 HZ1 LYS 43 -4.011 7.478 -2.358 358 HZ2 LYS 43 HZ2 LYS 43 -2.675 8.324 -2.958 359 HZ3 LYS 43 HZ3 LYS 43 -3.457 8.863 -1.560 360 H SER 44 H SER 44 -5.918 8.836 3.753 361 HA SER 44 HA SER 44 -5.232 11.661 3.924 362 HB2 SER 44 HB2 SER 44 -5.651 11.310 1.535 363 HB3 SER 44 HB3 SER 44 -7.204 10.562 1.904 364 HG SER 44 HG SER 44 -7.204 12.874 1.305 365 HA PRO 45 HA PRO 45 -8.203 11.586 7.208 366 HB2 PRO 45 HB2 PRO 45 -8.976 14.279 6.192 367 HB3 PRO 45 HB3 PRO 45 -8.524 13.780 7.827 368 HG2 PRO 45 HG2 PRO 45 -6.816 15.140 6.304 369 HG3 PRO 45 HG3 PRO 45 -6.253 13.827 7.355 370 HD2 PRO 45 HD2 PRO 45 -6.646 13.854 4.396 371 HD3 PRO 45 HD3 PRO 45 -5.403 13.034 5.364 372 H ARG 46 H ARG 46 -9.796 10.155 6.688 373 HA ARG 46 HA ARG 46 -11.917 9.488 6.211 374 HB2 ARG 46 HB2 ARG 46 -12.420 12.394 5.544 375 HB3 ARG 46 HB3 ARG 46 -13.654 11.147 5.645 376 HG2 ARG 46 HG2 ARG 46 -13.142 10.830 8.014 377 HG3 ARG 46 HG3 ARG 46 -11.907 12.086 7.911 378 HD2 ARG 46 HD2 ARG 46 -13.620 13.718 7.288 379 HD3 ARG 46 HD3 ARG 46 -14.854 12.461 7.382 380 HE ARG 46 HE ARG 46 -13.498 12.577 9.832 381 HH11 ARG 46 HH11 ARG 46 -15.681 14.486 7.902 382 HH12 ARG 46 HH12 ARG 46 -16.401 15.275 9.266 383 HH21 ARG 46 HH21 ARG 46 -14.438 13.610 11.633 384 HH22 ARG 46 HH22 ARG 46 -15.694 14.778 11.386 385 H VAL 47 H VAL 47 -11.347 8.189 4.526 386 HA VAL 47 HA VAL 47 -10.709 9.207 1.925 387 HB VAL 47 HB VAL 47 -10.748 6.842 1.213 388 HG11 VAL 47 HG11 VAL 47 -8.712 7.778 2.159 389 HG12 VAL 47 HG12 VAL 47 -8.884 6.084 2.620 390 HG13 VAL 47 HG13 VAL 47 -9.254 7.357 3.783 391 HG21 VAL 47 HG21 VAL 47 -12.570 6.049 2.619 392 HG22 VAL 47 HG22 VAL 47 -11.587 6.305 4.062 393 HG23 VAL 47 HG23 VAL 47 -11.118 5.081 2.881 394 H ALA 48 H ALA 48 -11.955 7.896 0.054 395 HA ALA 48 HA ALA 48 -14.710 8.886 0.248 396 HB1 ALA 48 HB1 ALA 48 -13.374 9.737 -1.621 397 HB2 ALA 48 HB2 ALA 48 -14.740 8.776 -2.190 398 HB3 ALA 48 HB3 ALA 48 -13.117 8.087 -2.188 399 HA PRO 49 HA PRO 49 -16.583 4.893 0.326 400 HB2 PRO 49 HB2 PRO 49 -18.229 5.623 -2.027 401 HB3 PRO 49 HB3 PRO 49 -18.736 5.139 -0.406 402 HG2 PRO 49 HG2 PRO 49 -18.946 7.675 -1.210 403 HG3 PRO 49 HG3 PRO 49 -18.483 7.275 0.455 404 HD2 PRO 49 HD2 PRO 49 -16.768 8.176 -1.827 405 HD3 PRO 49 HD3 PRO 49 -16.688 8.624 -0.110 406 H GLY 50 H GLY 50 -14.779 5.928 -2.311 407 HA2 GLY 50 HA2 GLY 50 -15.147 3.718 -4.033 408 HA3 GLY 50 HA3 GLY 50 -13.802 4.846 -4.078 409 H SER 51 H SER 51 -14.142 3.414 -1.038 410 HA SER 51 HA SER 51 -11.841 1.710 -1.546 411 HB2 SER 51 HB2 SER 51 -11.752 3.208 0.384 412 HB3 SER 51 HB3 SER 51 -13.211 2.472 1.046 413 HG SER 51 HG SER 51 -11.233 1.650 1.949 414 H ALA 52 H ALA 52 -15.211 1.434 -1.204 415 HA ALA 52 HA ALA 52 -15.204 -1.298 -0.287 416 HB1 ALA 52 HB1 ALA 52 -17.620 -1.178 -0.491 417 HB2 ALA 52 HB2 ALA 52 -17.487 0.369 -1.325 418 HB3 ALA 52 HB3 ALA 52 -16.999 0.233 0.363 419 HA PRO 53 HA PRO 53 -16.770 -1.688 -5.029 420 HB2 PRO 53 HB2 PRO 53 -14.642 0.202 -5.954 421 HB3 PRO 53 HB3 PRO 53 -16.223 -0.147 -6.667 422 HG2 PRO 53 HG2 PRO 53 -15.867 2.073 -5.271 423 HG3 PRO 53 HG3 PRO 53 -17.360 1.133 -5.088 424 HD2 PRO 53 HD2 PRO 53 -15.014 1.341 -3.265 425 HD3 PRO 53 HD3 PRO 53 -16.737 1.175 -2.876 426 HA PRO 54 HA PRO 54 -13.949 -4.891 -6.149 427 HB2 PRO 54 HB2 PRO 54 -13.292 -3.242 -8.561 428 HB3 PRO 54 HB3 PRO 54 -13.585 -4.981 -8.441 429 HG2 PRO 54 HG2 PRO 54 -15.495 -3.311 -9.290 430 HG3 PRO 54 HG3 PRO 54 -15.875 -4.723 -8.288 431 HD2 PRO 54 HD2 PRO 54 -15.941 -1.861 -7.593 432 HD3 PRO 54 HD3 PRO 54 -16.760 -3.229 -6.817 433 H TRP 55 H TRP 55 -12.283 -4.899 -4.758 434 HA TRP 55 HA TRP 55 -10.087 -3.049 -5.268 435 HB2 TRP 55 HB2 TRP 55 -11.313 -3.736 -2.907 436 HB3 TRP 55 HB3 TRP 55 -9.844 -4.712 -2.876 437 HD1 TRP 55 HD1 TRP 55 -10.454 -1.077 -4.060 438 HE1 TRP 55 HE1 TRP 55 -8.721 0.447 -2.921 439 HE3 TRP 55 HE3 TRP 55 -8.068 -4.565 -1.162 440 HZ2 TRP 55 HZ2 TRP 55 -6.624 0.200 -1.050 441 HZ3 TRP 55 HZ3 TRP 55 -6.233 -3.827 0.267 442 HH2 TRP 55 HH2 TRP 55 -5.520 -1.498 0.327 443 HA PRO 56 HA PRO 56 -8.499 -7.768 -5.671 444 HB2 PRO 56 HB2 PRO 56 -9.718 -7.713 -8.396 445 HB3 PRO 56 HB3 PRO 56 -9.453 -9.083 -7.311 446 HG2 PRO 56 HG2 PRO 56 -11.884 -8.051 -7.612 447 HG3 PRO 56 HG3 PRO 56 -11.317 -8.590 -6.021 448 HD2 PRO 56 HD2 PRO 56 -11.608 -5.823 -7.094 449 HD3 PRO 56 HD3 PRO 56 -11.861 -6.429 -5.446 450 H ALA 57 H ALA 57 -8.788 -4.842 -7.394 451 HA ALA 57 HA ALA 57 -6.937 -4.861 -9.359 452 HB1 ALA 57 HB1 ALA 57 -6.680 -2.513 -9.030 453 HB2 ALA 57 HB2 ALA 57 -7.123 -2.646 -7.327 454 HB3 ALA 57 HB3 ALA 57 -8.336 -2.929 -8.576 455 H LEU 58 H LEU 58 -6.360 -5.139 -5.963 456 HA LEU 58 HA LEU 58 -3.597 -4.514 -5.928 457 HB2 LEU 58 HB2 LEU 58 -4.754 -4.459 -3.872 458 HB3 LEU 58 HB3 LEU 58 -5.420 -6.061 -4.108 459 HG LEU 58 HG LEU 58 -3.280 -7.084 -3.665 460 HD11 LEU 58 HD11 LEU 58 -2.207 -4.283 -3.385 461 HD12 LEU 58 HD12 LEU 58 -1.845 -5.400 -4.701 462 HD13 LEU 58 HD13 LEU 58 -1.321 -5.773 -3.060 463 HD21 LEU 58 HD21 LEU 58 -2.927 -6.282 -1.334 464 HD22 LEU 58 HD22 LEU 58 -4.609 -6.632 -1.731 465 HD23 LEU 58 HD23 LEU 58 -4.046 -4.962 -1.672 466 H ARG 59 H ARG 59 -5.368 -7.588 -6.131 467 HA ARG 59 HA ARG 59 -3.227 -9.308 -6.263 468 HB2 ARG 59 HB2 ARG 59 -5.851 -9.530 -7.751 469 HB3 ARG 59 HB3 ARG 59 -4.727 -10.854 -7.481 470 HG2 ARG 59 HG2 ARG 59 -5.064 -10.665 -5.076 471 HG3 ARG 59 HG3 ARG 59 -6.173 -9.316 -5.332 472 HD2 ARG 59 HD2 ARG 59 -7.387 -11.402 -4.963 473 HD3 ARG 59 HD3 ARG 59 -7.672 -10.774 -6.586 474 HE ARG 59 HE ARG 59 -5.535 -12.587 -6.683 475 HH11 ARG 59 HH11 ARG 59 -8.977 -12.548 -6.136 476 HH12 ARG 59 HH12 ARG 59 -9.219 -14.156 -6.731 477 HH21 ARG 59 HH21 ARG 59 -5.845 -14.703 -7.469 478 HH22 ARG 59 HH22 ARG 59 -7.439 -15.382 -7.489 479 H SER 60 H SER 60 -4.748 -7.484 -8.877 480 HA SER 60 HA SER 60 -3.320 -8.390 -10.985 481 HB2 SER 60 HB2 SER 60 -4.118 -5.508 -10.506 482 HB3 SER 60 HB3 SER 60 -3.715 -6.210 -12.071 483 HG SER 60 HG SER 60 -5.886 -6.344 -11.964 484 H LEU 61 H LEU 61 -2.171 -6.309 -8.443 485 HA LEU 61 HA LEU 61 0.175 -5.431 -9.873 486 HB2 LEU 61 HB2 LEU 61 -0.835 -5.097 -7.086 487 HB3 LEU 61 HB3 LEU 61 0.862 -4.806 -7.421 488 HG LEU 61 HG LEU 61 -0.052 -3.255 -9.310 489 HD11 LEU 61 HD11 LEU 61 -2.384 -3.911 -9.100 490 HD12 LEU 61 HD12 LEU 61 -2.175 -2.197 -8.744 491 HD13 LEU 61 HD13 LEU 61 -2.401 -3.349 -7.428 492 HD21 LEU 61 HD21 LEU 61 -0.104 -1.383 -7.713 493 HD22 LEU 61 HD22 LEU 61 1.251 -2.478 -7.437 494 HD23 LEU 61 HD23 LEU 61 -0.163 -2.544 -6.386 495 H LEU 62 H LEU 62 -0.690 -8.030 -7.670 496 HA LEU 62 HA LEU 62 1.814 -8.908 -6.854 497 HB2 LEU 62 HB2 LEU 62 -0.526 -10.599 -7.738 498 HB3 LEU 62 HB3 LEU 62 0.828 -11.172 -6.793 499 HG LEU 62 HG LEU 62 -1.015 -9.009 -5.798 500 HD11 LEU 62 HD11 LEU 62 -2.279 -11.077 -6.348 501 HD12 LEU 62 HD12 LEU 62 -2.268 -10.691 -4.629 502 HD13 LEU 62 HD13 LEU 62 -1.221 -11.966 -5.252 503 HD21 LEU 62 HD21 LEU 62 0.787 -10.943 -4.341 504 HD22 LEU 62 HD22 LEU 62 -0.144 -9.625 -3.631 505 HD23 LEU 62 HD23 LEU 62 1.202 -9.272 -4.713 506 H HIS 63 H HIS 63 0.023 -9.511 -9.806 507 HA HIS 63 HA HIS 63 1.815 -11.159 -11.109 508 HB2 HIS 63 HB2 HIS 63 -0.489 -10.771 -11.845 509 HB3 HIS 63 HB3 HIS 63 -0.084 -9.113 -12.274 510 HD1 HIS 63 HD1 HIS 63 0.121 -12.607 -13.502 511 HD2 HIS 63 HD2 HIS 63 1.487 -8.849 -14.632 512 HE1 HIS 63 HE1 HIS 63 0.898 -12.861 -15.880 513 HE2 HIS 63 HE2 HIS 63 1.640 -10.555 -16.570 514 H ARG 64 H ARG 64 1.649 -7.619 -11.019 515 HA ARG 64 HA ARG 64 3.810 -7.268 -12.842 516 HB2 ARG 64 HB2 ARG 64 2.641 -5.314 -10.854 517 HB3 ARG 64 HB3 ARG 64 3.683 -4.910 -12.210 518 HG2 ARG 64 HG2 ARG 64 1.920 -5.874 -13.719 519 HG3 ARG 64 HG3 ARG 64 0.871 -5.963 -12.302 520 HD2 ARG 64 HD2 ARG 64 0.414 -3.929 -13.520 521 HD3 ARG 64 HD3 ARG 64 1.160 -3.537 -11.972 522 HE ARG 64 HE ARG 64 2.769 -3.644 -14.431 523 HH11 ARG 64 HH11 ARG 64 1.568 -1.926 -11.652 524 HH12 ARG 64 HH12 ARG 64 2.611 -0.564 -11.882 525 HH21 ARG 64 HH21 ARG 64 4.145 -1.853 -14.747 526 HH22 ARG 64 HH22 ARG 64 4.074 -0.520 -13.643 527 H ASN 65 H ASN 65 3.685 -8.279 -9.667 528 HA ASN 65 HA ASN 65 5.332 -8.890 -8.239 529 HB2 ASN 65 HB2 ASN 65 6.682 -9.041 -10.512 530 HB3 ASN 65 HB3 ASN 65 7.500 -7.628 -9.849 531 HD21 ASN 65 HD21 ASN 65 6.142 -10.171 -7.899 532 HD22 ASN 65 HD22 ASN 65 7.639 -10.804 -7.328 533 H LEU 66 H LEU 66 3.991 -6.232 -8.305 534 HA LEU 66 HA LEU 66 6.009 -4.535 -7.037 535 HB2 LEU 66 HB2 LEU 66 3.105 -3.861 -7.363 536 HB3 LEU 66 HB3 LEU 66 4.447 -2.766 -7.128 537 HG LEU 66 HG LEU 66 3.559 -4.137 -9.633 538 HD11 LEU 66 HD11 LEU 66 2.791 -1.875 -9.130 539 HD12 LEU 66 HD12 LEU 66 3.843 -1.902 -10.547 540 HD13 LEU 66 HD13 LEU 66 4.468 -1.339 -8.995 541 HD21 LEU 66 HD21 LEU 66 5.676 -3.499 -10.706 542 HD22 LEU 66 HD22 LEU 66 5.906 -4.737 -9.472 543 HD23 LEU 66 HD23 LEU 66 6.327 -3.060 -9.128 544 H VAL 67 H VAL 67 3.359 -6.589 -6.312 545 HA VAL 67 HA VAL 67 3.760 -6.085 -3.441 546 HB VAL 67 HB VAL 67 1.336 -6.705 -3.140 547 HG11 VAL 67 HG11 VAL 67 1.872 -4.225 -4.772 548 HG12 VAL 67 HG12 VAL 67 2.118 -4.380 -3.032 549 HG13 VAL 67 HG13 VAL 67 0.492 -4.492 -3.707 550 HG21 VAL 67 HG21 VAL 67 1.131 -7.763 -5.392 551 HG22 VAL 67 HG22 VAL 67 1.130 -6.145 -6.087 552 HG23 VAL 67 HG23 VAL 67 -0.160 -6.633 -4.988 553 H LEU 68 H LEU 68 3.135 -7.967 -2.076 554 HA LEU 68 HA LEU 68 3.816 -10.474 -3.471 555 HB2 LEU 68 HB2 LEU 68 5.526 -9.571 -1.833 556 HB3 LEU 68 HB3 LEU 68 4.343 -9.854 -0.573 557 HG LEU 68 HG LEU 68 4.327 -12.272 -1.195 558 HD11 LEU 68 HD11 LEU 68 5.105 -12.070 -3.488 559 HD12 LEU 68 HD12 LEU 68 6.168 -13.128 -2.560 560 HD13 LEU 68 HD13 LEU 68 6.666 -11.474 -2.921 561 HD21 LEU 68 HD21 LEU 68 5.647 -11.459 0.682 562 HD22 LEU 68 HD22 LEU 68 6.997 -11.118 -0.400 563 HD23 LEU 68 HD23 LEU 68 6.472 -12.782 -0.142 564 H ARG 69 H ARG 69 2.638 -12.310 -2.971 565 HA ARG 69 HA ARG 69 0.227 -11.858 -1.336 566 HB2 ARG 69 HB2 ARG 69 -0.651 -13.872 -2.733 567 HB3 ARG 69 HB3 ARG 69 -0.666 -12.256 -3.425 568 HG2 ARG 69 HG2 ARG 69 1.107 -12.707 -4.839 569 HG3 ARG 69 HG3 ARG 69 1.646 -14.093 -3.887 570 HD2 ARG 69 HD2 ARG 69 -0.380 -15.310 -4.548 571 HD3 ARG 69 HD3 ARG 69 -0.882 -13.931 -5.526 572 HE ARG 69 HE ARG 69 1.694 -14.748 -6.311 573 HH11 ARG 69 HH11 ARG 69 -1.626 -15.795 -6.450 574 HH12 ARG 69 HH12 ARG 69 -1.416 -16.696 -7.915 575 HH21 ARG 69 HH21 ARG 69 1.980 -15.931 -8.239 576 HH22 ARG 69 HH22 ARG 69 0.634 -16.774 -8.932 577 H THR 70 H THR 70 -0.442 -13.477 0.084 578 HA THR 70 HA THR 70 1.438 -15.698 0.439 579 HB THR 70 HB THR 70 0.012 -14.457 2.764 580 HG1 THR 70 HG1 THR 70 2.106 -13.392 1.234 581 HG21 THR 70 HG21 THR 70 2.445 -15.062 3.651 582 HG22 THR 70 HG22 THR 70 2.385 -16.189 2.295 583 HG23 THR 70 HG23 THR 70 1.164 -16.269 3.566 584 H HIS 71 H HIS 71 0.379 -17.119 2.348 585 HA HIS 71 HA HIS 71 -1.057 -19.080 1.462 586 HB2 HIS 71 HB2 HIS 71 -0.617 -17.902 3.996 587 HB3 HIS 71 HB3 HIS 71 -2.281 -18.452 3.957 588 HD1 HIS 71 HD1 HIS 71 -2.473 -21.110 3.122 589 HD2 HIS 71 HD2 HIS 71 1.148 -19.787 4.673 590 HE1 HIS 71 HE1 HIS 71 -1.226 -23.194 3.783 591 HE2 HIS 71 HE2 HIS 71 0.936 -22.366 4.781 592 H GLN 72 H GLN 72 -3.065 -16.680 3.220 593 HA GLN 72 HA GLN 72 -4.800 -15.505 1.581 594 HB2 GLN 72 HB2 GLN 72 -5.090 -17.495 0.216 595 HB3 GLN 72 HB3 GLN 72 -5.538 -18.432 1.635 596 HG2 GLN 72 HG2 GLN 72 -7.538 -17.073 1.914 597 HG3 GLN 72 HG3 GLN 72 -7.081 -16.104 0.513 598 HE21 GLN 72 HE21 GLN 72 -7.249 -16.989 -1.545 599 HE22 GLN 72 HE22 GLN 72 -8.177 -18.412 -1.862 600 HA PRO 73 HA PRO 73 -6.468 -13.903 2.067 601 HB2 PRO 73 HB2 PRO 73 -5.598 -12.336 4.448 602 HB3 PRO 73 HB3 PRO 73 -6.912 -12.016 3.311 603 HG2 PRO 73 HG2 PRO 73 -7.433 -12.945 5.746 604 HG3 PRO 73 HG3 PRO 73 -8.345 -13.524 4.339 605 HD2 PRO 73 HD2 PRO 73 -6.161 -14.869 5.868 606 HD3 PRO 73 HD3 PRO 73 -7.615 -15.566 5.126 607 H ALA 74 H ALA 74 -4.830 -13.356 0.708 608 HA ALA 74 HA ALA 74 -2.201 -14.303 1.201 609 HB1 ALA 74 HB1 ALA 74 -3.140 -14.186 -1.049 610 HB2 ALA 74 HB2 ALA 74 -1.676 -13.213 -0.918 611 HB3 ALA 74 HB3 ALA 74 -3.256 -12.430 -0.913 612 H ARG 75 H ARG 75 -1.039 -13.381 2.772 613 HA ARG 75 HA ARG 75 -1.297 -10.708 3.641 614 HB2 ARG 75 HB2 ARG 75 1.186 -12.443 3.778 615 HB3 ARG 75 HB3 ARG 75 0.804 -11.075 4.810 616 HG2 ARG 75 HG2 ARG 75 -0.753 -12.247 6.028 617 HG3 ARG 75 HG3 ARG 75 -1.077 -13.386 4.719 618 HD2 ARG 75 HD2 ARG 75 0.859 -14.624 5.155 619 HD3 ARG 75 HD3 ARG 75 1.590 -13.317 6.096 620 HE ARG 75 HE ARG 75 -0.736 -14.096 7.408 621 HH11 ARG 75 HH11 ARG 75 2.352 -15.461 6.550 622 HH12 ARG 75 HH12 ARG 75 2.399 -16.536 7.908 623 HH21 ARG 75 HH21 ARG 75 -0.684 -15.507 9.198 624 HH22 ARG 75 HH22 ARG 75 0.673 -16.562 9.413 625 H TYR 76 H TYR 76 -0.746 -8.874 2.553 626 HA TYR 76 HA TYR 76 1.028 -9.149 0.324 627 HB2 TYR 76 HB2 TYR 76 -0.740 -6.866 1.178 628 HB3 TYR 76 HB3 TYR 76 0.189 -6.912 -0.319 629 HD1 TYR 76 HD1 TYR 76 -0.232 -8.974 -1.850 630 HD2 TYR 76 HD2 TYR 76 -2.924 -7.691 1.182 631 HE1 TYR 76 HE1 TYR 76 -2.043 -10.207 -2.958 632 HE2 TYR 76 HE2 TYR 76 -4.754 -8.912 0.079 633 HH TYR 76 HH TYR 76 -5.314 -9.764 -2.163 634 H SER 77 H SER 77 2.825 -8.021 -0.155 635 HA SER 77 HA SER 77 3.975 -6.284 1.841 636 HB2 SER 77 HB2 SER 77 5.416 -8.806 0.995 637 HB3 SER 77 HB3 SER 77 6.098 -7.520 1.990 638 HG SER 77 HG SER 77 4.747 -9.604 2.811 639 H LEU 78 H LEU 78 4.991 -4.657 0.863 640 HA LEU 78 HA LEU 78 5.119 -4.263 -1.831 641 HB2 LEU 78 HB2 LEU 78 6.701 -3.136 0.437 642 HB3 LEU 78 HB3 LEU 78 7.147 -2.715 -1.200 643 HG LEU 78 HG LEU 78 4.545 -2.116 0.187 644 HD11 LEU 78 HD11 LEU 78 6.538 -0.712 0.684 645 HD12 LEU 78 HD12 LEU 78 5.212 0.166 -0.077 646 HD13 LEU 78 HD13 LEU 78 6.619 -0.306 -1.029 647 HD21 LEU 78 HD21 LEU 78 3.945 -0.946 -1.907 648 HD22 LEU 78 HD22 LEU 78 4.026 -2.697 -2.095 649 HD23 LEU 78 HD23 LEU 78 5.343 -1.682 -2.686 650 H THR 79 H THR 79 6.209 -5.434 -3.386 651 HA THR 79 HA THR 79 8.675 -6.691 -2.783 652 HB THR 79 HB THR 79 8.293 -6.594 -5.597 653 HG1 THR 79 HG1 THR 79 6.060 -7.428 -5.559 654 HG21 THR 79 HG21 THR 79 7.519 -8.736 -3.613 655 HG22 THR 79 HG22 THR 79 9.131 -8.514 -4.293 656 HG23 THR 79 HG23 THR 79 7.788 -8.967 -5.341 657 HA PRO 80 HA PRO 80 11.986 -4.030 -4.145 658 HB2 PRO 80 HB2 PRO 80 11.837 -5.151 -6.922 659 HB3 PRO 80 HB3 PRO 80 13.256 -4.789 -5.938 660 HG2 PRO 80 HG2 PRO 80 12.397 -7.285 -6.150 661 HG3 PRO 80 HG3 PRO 80 12.957 -6.664 -4.586 662 HD2 PRO 80 HD2 PRO 80 10.194 -7.228 -5.522 663 HD3 PRO 80 HD3 PRO 80 10.871 -7.306 -3.883 664 H GLU 81 H GLU 81 9.705 -4.328 -6.900 665 HA GLU 81 HA GLU 81 10.229 -1.665 -7.822 666 HB2 GLU 81 HB2 GLU 81 8.062 -3.663 -8.463 667 HB3 GLU 81 HB3 GLU 81 8.165 -2.079 -9.213 668 HG2 GLU 81 HG2 GLU 81 9.109 -3.753 -10.658 669 HG3 GLU 81 HG3 GLU 81 10.366 -2.650 -10.106 670 H GLY 82 H GLY 82 7.810 -3.204 -5.757 671 HA2 GLY 82 HA2 GLY 82 6.009 -0.957 -5.693 672 HA3 GLY 82 HA3 GLY 82 6.019 -2.316 -4.588 673 H LEU 83 H LEU 83 8.925 -1.906 -4.067 674 HA LEU 83 HA LEU 83 8.590 -0.215 -1.771 675 HB2 LEU 83 HB2 LEU 83 10.343 -2.258 -2.529 676 HB3 LEU 83 HB3 LEU 83 11.337 -0.818 -2.472 677 HG LEU 83 HG LEU 83 11.483 -1.906 -0.346 678 HD11 LEU 83 HD11 LEU 83 10.595 -0.195 1.173 679 HD12 LEU 83 HD12 LEU 83 9.653 0.480 -0.156 680 HD13 LEU 83 HD13 LEU 83 11.416 0.510 -0.221 681 HD21 LEU 83 HD21 LEU 83 9.416 -3.219 -0.544 682 HD22 LEU 83 HD22 LEU 83 8.482 -1.760 -0.209 683 HD23 LEU 83 HD23 LEU 83 9.563 -2.418 1.020 684 H GLU 84 H GLU 84 10.782 -0.110 -4.582 685 HA GLU 84 HA GLU 84 11.669 2.393 -4.363 686 HB2 GLU 84 HB2 GLU 84 10.908 0.994 -6.922 687 HB3 GLU 84 HB3 GLU 84 11.920 2.432 -6.841 688 HG2 GLU 84 HG2 GLU 84 12.675 0.086 -5.207 689 HG3 GLU 84 HG3 GLU 84 12.947 0.021 -6.940 690 H LEU 85 H LEU 85 8.631 1.504 -5.944 691 HA LEU 85 HA LEU 85 8.010 4.123 -6.879 692 HB2 LEU 85 HB2 LEU 85 6.446 1.586 -6.479 693 HB3 LEU 85 HB3 LEU 85 5.700 3.068 -7.022 694 HG LEU 85 HG LEU 85 7.903 1.602 -8.465 695 HD11 LEU 85 HD11 LEU 85 6.188 1.048 -10.101 696 HD12 LEU 85 HD12 LEU 85 4.969 1.849 -9.110 697 HD13 LEU 85 HD13 LEU 85 5.776 0.399 -8.514 698 HD21 LEU 85 HD21 LEU 85 6.290 4.022 -9.266 699 HD22 LEU 85 HD22 LEU 85 7.450 3.171 -10.289 700 HD23 LEU 85 HD23 LEU 85 8.000 4.007 -8.836 701 H ALA 86 H ALA 86 7.277 2.162 -4.022 702 HA ALA 86 HA ALA 86 5.236 3.810 -2.937 703 HB1 ALA 86 HB1 ALA 86 7.181 1.994 -1.521 704 HB2 ALA 86 HB2 ALA 86 5.600 1.534 -2.154 705 HB3 ALA 86 HB3 ALA 86 5.716 2.686 -0.825 706 H GLN 87 H GLN 87 8.769 3.873 -2.721 707 HA GLN 87 HA GLN 87 8.970 5.771 -0.615 708 HB2 GLN 87 HB2 GLN 87 10.826 5.173 -2.932 709 HB3 GLN 87 HB3 GLN 87 11.229 6.242 -1.596 710 HG2 GLN 87 HG2 GLN 87 11.027 4.381 -0.037 711 HG3 GLN 87 HG3 GLN 87 10.599 3.308 -1.366 712 HE21 GLN 87 HE21 GLN 87 13.143 5.110 0.163 713 HE22 GLN 87 HE22 GLN 87 14.456 4.357 -0.670 714 H LYS 88 H LYS 88 8.803 6.018 -4.128 715 HA LYS 88 HA LYS 88 8.799 8.758 -4.303 716 HB2 LYS 88 HB2 LYS 88 7.274 6.962 -6.178 717 HB3 LYS 88 HB3 LYS 88 8.094 8.471 -6.545 718 HG2 LYS 88 HG2 LYS 88 10.252 7.415 -6.137 719 HG3 LYS 88 HG3 LYS 88 9.440 5.910 -5.726 720 HD2 LYS 88 HD2 LYS 88 8.454 5.910 -8.027 721 HD3 LYS 88 HD3 LYS 88 9.500 7.281 -8.404 722 HE2 LYS 88 HE2 LYS 88 11.467 5.916 -7.850 723 HE3 LYS 88 HE3 LYS 88 10.414 4.545 -7.502 724 HZ1 LYS 88 HZ1 LYS 88 11.353 4.399 -9.720 725 HZ2 LYS 88 HZ2 LYS 88 10.685 5.897 -10.136 726 HZ3 LYS 88 HZ3 LYS 88 9.672 4.583 -9.804 727 H LEU 89 H LEU 89 6.007 6.576 -4.056 728 HA LEU 89 HA LEU 89 3.981 8.521 -4.473 729 HB2 LEU 89 HB2 LEU 89 4.098 5.797 -3.218 730 HB3 LEU 89 HB3 LEU 89 2.643 6.767 -3.115 731 HG LEU 89 HG LEU 89 2.494 6.810 -5.560 732 HD11 LEU 89 HD11 LEU 89 3.928 5.495 -6.956 733 HD12 LEU 89 HD12 LEU 89 4.830 4.921 -5.555 734 HD13 LEU 89 HD13 LEU 89 4.913 6.620 -6.022 735 HD21 LEU 89 HD21 LEU 89 1.369 5.041 -4.287 736 HD22 LEU 89 HD22 LEU 89 2.800 4.024 -4.454 737 HD23 LEU 89 HD23 LEU 89 1.873 4.483 -5.883 738 H ALA 90 H ALA 90 5.920 7.468 -1.806 739 HA ALA 90 HA ALA 90 4.468 8.729 0.241 740 HB1 ALA 90 HB1 ALA 90 7.390 7.996 0.194 741 HB2 ALA 90 HB2 ALA 90 6.066 6.913 0.620 742 HB3 ALA 90 HB3 ALA 90 6.418 8.316 1.631 743 H GLU 91 H GLU 91 7.072 9.864 -1.812 744 HA GLU 91 HA GLU 91 7.861 12.138 -0.503 745 HB2 GLU 91 HB2 GLU 91 7.400 12.130 -3.479 746 HB3 GLU 91 HB3 GLU 91 8.632 13.003 -2.575 747 HG2 GLU 91 HG2 GLU 91 9.725 10.908 -2.016 748 HG3 GLU 91 HG3 GLU 91 8.468 10.028 -2.884 749 H SER 92 H SER 92 5.201 11.867 -2.816 750 HA SER 92 HA SER 92 4.229 14.417 -2.662 751 HB2 SER 92 HB2 SER 92 3.492 12.753 -4.302 752 HB3 SER 92 HB3 SER 92 2.651 11.864 -3.034 753 HG SER 92 HG SER 92 1.847 14.046 -4.432 754 H GLU 93 H GLU 93 3.984 11.933 -0.276 755 HA GLU 93 HA GLU 93 1.746 13.238 1.102 756 HB2 GLU 93 HB2 GLU 93 3.199 10.760 2.001 757 HB3 GLU 93 HB3 GLU 93 1.586 11.298 2.437 758 HG2 GLU 93 HG2 GLU 93 2.347 10.444 -0.336 759 HG3 GLU 93 HG3 GLU 93 1.701 9.347 0.882 760 H GLY 94 H GLY 94 5.089 13.272 0.928 761 HA2 GLY 94 HA2 GLY 94 6.430 14.837 2.135 762 HA3 GLY 94 HA3 GLY 94 5.206 14.853 3.403 763 H LEU 95 H LEU 95 5.401 11.782 2.423 764 HA LEU 95 HA LEU 95 6.242 9.855 3.250 765 HB2 LEU 95 HB2 LEU 95 8.420 11.409 2.605 766 HB3 LEU 95 HB3 LEU 95 8.758 10.940 4.262 767 HG LEU 95 HG LEU 95 8.435 9.181 1.849 768 HD11 LEU 95 HD11 LEU 95 10.598 8.313 2.585 769 HD12 LEU 95 HD12 LEU 95 10.581 9.433 3.947 770 HD13 LEU 95 HD13 LEU 95 10.654 10.052 2.297 771 HD21 LEU 95 HD21 LEU 95 8.580 7.245 3.389 772 HD22 LEU 95 HD22 LEU 95 7.066 8.138 3.525 773 HD23 LEU 95 HD23 LEU 95 8.326 8.346 4.743 774 H SER 96 H SER 96 4.694 11.537 4.955 775 HA SER 96 HA SER 96 5.949 11.313 7.595 776 HB2 SER 96 HB2 SER 96 4.876 13.468 7.067 777 HB3 SER 96 HB3 SER 96 3.349 12.637 6.770 778 HG SER 96 HG SER 96 3.381 13.463 8.869 779 H LEU 97 H LEU 97 5.444 8.875 6.491 780 HA LEU 97 HA LEU 97 2.793 8.015 7.416 781 HB2 LEU 97 HB2 LEU 97 4.780 6.570 5.660 782 HB3 LEU 97 HB3 LEU 97 3.245 5.915 6.197 783 HG LEU 97 HG LEU 97 2.171 7.912 4.991 784 HD11 LEU 97 HD11 LEU 97 3.488 8.797 3.108 785 HD12 LEU 97 HD12 LEU 97 4.913 7.971 3.738 786 HD13 LEU 97 HD13 LEU 97 4.153 9.260 4.673 787 HD21 LEU 97 HD21 LEU 97 3.585 5.775 3.404 788 HD22 LEU 97 HD22 LEU 97 2.207 6.730 2.854 789 HD23 LEU 97 HD23 LEU 97 2.023 5.611 4.205 790 H LEU 98 H LEU 98 5.867 6.268 7.153 791 HA LEU 98 HA LEU 98 5.810 4.772 9.316 792 HB2 LEU 98 HB2 LEU 98 8.207 6.313 8.336 793 HB3 LEU 98 HB3 LEU 98 8.315 5.041 9.537 794 HG LEU 98 HG LEU 98 7.214 4.615 6.760 795 HD11 LEU 98 HD11 LEU 98 9.987 4.078 7.817 796 HD12 LEU 98 HD12 LEU 98 9.548 5.296 6.620 797 HD13 LEU 98 HD13 LEU 98 9.370 3.584 6.241 798 HD21 LEU 98 HD21 LEU 98 6.481 3.017 8.482 799 HD22 LEU 98 HD22 LEU 98 8.169 2.674 8.863 800 HD23 LEU 98 HD23 LEU 98 7.523 2.264 7.274 801 H ASN 99 H ASN 99 5.341 5.070 11.378 802 HA ASN 99 HA ASN 99 5.237 5.920 13.479 803 HB2 ASN 99 HB2 ASN 99 7.679 5.911 13.382 804 HB3 ASN 99 HB3 ASN 99 7.670 7.493 12.606 805 HD21 ASN 99 HD21 ASN 99 7.173 5.744 15.564 806 HD22 ASN 99 HD22 ASN 99 7.183 7.116 16.615 807 H VAL 100 H VAL 100 3.655 7.209 14.104 808 HA VAL 100 HA VAL 100 3.608 9.987 13.162 809 HB VAL 100 HB VAL 100 1.177 9.902 12.843 810 HG11 VAL 100 HG11 VAL 100 2.677 7.861 11.206 811 HG12 VAL 100 HG12 VAL 100 2.626 9.599 10.913 812 HG13 VAL 100 HG13 VAL 100 1.160 8.633 10.745 813 HG21 VAL 100 HG21 VAL 100 1.492 6.938 13.305 814 HG22 VAL 100 HG22 VAL 100 0.026 7.731 12.729 815 HG23 VAL 100 HG23 VAL 100 0.637 8.075 14.347 816 H GLY 101 H GLY 101 2.082 11.345 14.473 817 HA2 GLY 101 HA2 GLY 101 0.673 11.356 16.549 818 HA3 GLY 101 HA3 GLY 101 1.920 10.334 17.244 819 H ILE 102 H ILE 102 1.148 13.562 16.116 820 HA ILE 102 HA ILE 102 3.187 14.622 17.919 821 HB ILE 102 HB ILE 102 3.748 16.360 16.110 822 HG12 ILE 102 HG12 ILE 102 3.668 15.327 13.783 823 HG13 ILE 102 HG13 ILE 102 2.519 14.166 14.437 824 HG21 ILE 102 HG21 ILE 102 4.704 13.515 15.835 825 HG22 ILE 102 HG22 ILE 102 5.336 14.729 16.947 826 HG23 ILE 102 HG23 ILE 102 5.531 14.941 15.207 827 HD11 ILE 102 HD11 ILE 102 0.974 15.950 14.962 828 HD12 ILE 102 HD12 ILE 102 1.429 16.012 13.259 829 HD13 ILE 102 HD13 ILE 102 2.139 17.151 14.404 830 H GLY 103 H GLY 103 0.075 14.570 17.019 831 HA2 GLY 103 HA2 GLY 103 -1.049 16.386 18.518 832 HA3 GLY 103 HA3 GLY 103 -0.434 17.448 17.260 Start of MODEL 17 1 H GLY 1 H GLY 1 7.669 3.853 -21.859 2 HA2 GLY 1 HA2 GLY 1 5.778 4.042 -20.379 3 HA3 GLY 1 HA3 GLY 1 6.300 2.373 -20.543 4 H SER 2 H SER 2 6.062 5.117 -18.424 5 HA SER 2 HA SER 2 7.206 3.584 -16.201 6 HB2 SER 2 HB2 SER 2 6.423 6.505 -16.362 7 HB3 SER 2 HB3 SER 2 7.156 5.723 -14.962 8 HG SER 2 HG SER 2 9.016 5.993 -15.877 9 H TYR 3 H TYR 3 6.026 2.993 -14.430 10 HA TYR 3 HA TYR 3 3.125 3.125 -14.731 11 HB2 TYR 3 HB2 TYR 3 4.233 0.934 -14.310 12 HB3 TYR 3 HB3 TYR 3 4.777 1.542 -12.750 13 HD1 TYR 3 HD1 TYR 3 1.795 0.606 -14.722 14 HD2 TYR 3 HD2 TYR 3 3.319 1.579 -10.871 15 HE1 TYR 3 HE1 TYR 3 -0.312 -0.147 -13.704 16 HE2 TYR 3 HE2 TYR 3 1.217 0.827 -9.842 17 HH TYR 3 HH TYR 3 -1.139 0.515 -10.484 18 H TRP 4 H TRP 4 2.205 4.880 -13.866 19 HA TRP 4 HA TRP 4 2.761 5.503 -11.077 20 HB2 TRP 4 HB2 TRP 4 4.246 6.986 -12.439 21 HB3 TRP 4 HB3 TRP 4 2.806 7.669 -13.186 22 HD1 TRP 4 HD1 TRP 4 1.190 9.162 -11.571 23 HE1 TRP 4 HE1 TRP 4 1.741 10.514 -9.451 24 HE3 TRP 4 HE3 TRP 4 5.699 7.050 -10.404 25 HZ2 TRP 4 HZ2 TRP 4 3.811 10.666 -7.537 26 HZ3 TRP 4 HZ3 TRP 4 6.899 7.855 -8.414 27 HH2 TRP 4 HH2 TRP 4 5.974 9.626 -7.011 28 HA PRO 5 HA PRO 5 -1.756 5.489 -11.877 29 HB2 PRO 5 HB2 PRO 5 -1.818 4.999 -8.972 30 HB3 PRO 5 HB3 PRO 5 -2.543 4.064 -10.283 31 HG2 PRO 5 HG2 PRO 5 -0.419 3.156 -8.922 32 HG3 PRO 5 HG3 PRO 5 -0.615 2.845 -10.657 33 HD2 PRO 5 HD2 PRO 5 1.112 4.868 -9.276 34 HD3 PRO 5 HD3 PRO 5 1.484 3.835 -10.673 35 H ALA 6 H ALA 6 -3.528 6.524 -10.266 36 HA ALA 6 HA ALA 6 -2.856 9.281 -10.084 37 HB1 ALA 6 HB1 ALA 6 -5.334 7.906 -9.060 38 HB2 ALA 6 HB2 ALA 6 -5.096 8.455 -10.719 39 HB3 ALA 6 HB3 ALA 6 -5.140 9.625 -9.401 40 H ARG 7 H ARG 7 -3.015 10.635 -8.205 41 HA ARG 7 HA ARG 7 -1.473 9.741 -6.047 42 HB2 ARG 7 HB2 ARG 7 -3.316 12.130 -6.189 43 HB3 ARG 7 HB3 ARG 7 -2.070 11.878 -4.975 44 HG2 ARG 7 HG2 ARG 7 -0.355 11.953 -6.708 45 HG3 ARG 7 HG3 ARG 7 -1.602 12.191 -7.933 46 HD2 ARG 7 HD2 ARG 7 -2.267 14.283 -6.841 47 HD3 ARG 7 HD3 ARG 7 -1.013 14.043 -5.625 48 HE ARG 7 HE ARG 7 0.178 13.985 -8.160 49 HH11 ARG 7 HH11 ARG 7 -1.415 16.229 -6.022 50 HH12 ARG 7 HH12 ARG 7 -0.557 17.609 -6.623 51 HH21 ARG 7 HH21 ARG 7 1.311 15.797 -8.956 52 HH22 ARG 7 HH22 ARG 7 0.991 17.363 -8.291 53 H HIS 8 H HIS 8 -4.784 9.233 -6.644 54 HA HIS 8 HA HIS 8 -5.103 8.283 -3.872 55 HB2 HIS 8 HB2 HIS 8 -7.162 9.786 -5.504 56 HB3 HIS 8 HB3 HIS 8 -7.451 9.064 -3.925 57 HD1 HIS 8 HD1 HIS 8 -6.776 10.403 -1.898 58 HD2 HIS 8 HD2 HIS 8 -5.398 12.054 -5.454 59 HE1 HIS 8 HE1 HIS 8 -5.863 12.664 -1.280 60 HE2 HIS 8 HE2 HIS 8 -5.064 13.659 -3.453 61 H SER 9 H SER 9 -4.804 7.224 -6.868 62 HA SER 9 HA SER 9 -7.100 5.659 -7.359 63 HB2 SER 9 HB2 SER 9 -5.651 4.368 -8.892 64 HB3 SER 9 HB3 SER 9 -5.461 6.105 -9.115 65 HG SER 9 HG SER 9 -3.472 5.992 -8.397 66 H GLY 10 H GLY 10 -6.543 3.089 -7.633 67 HA2 GLY 10 HA2 GLY 10 -6.575 2.164 -4.900 68 HA3 GLY 10 HA3 GLY 10 -6.780 1.180 -6.340 69 H ALA 11 H ALA 11 -4.619 1.168 -7.712 70 HA ALA 11 HA ALA 11 -2.771 -0.340 -6.338 71 HB1 ALA 11 HB1 ALA 11 -2.985 -0.353 -8.762 72 HB2 ALA 11 HB2 ALA 11 -1.311 -0.085 -8.273 73 HB3 ALA 11 HB3 ALA 11 -2.291 1.268 -8.840 74 H ARG 12 H ARG 12 -2.948 3.127 -6.546 75 HA ARG 12 HA ARG 12 -0.211 3.667 -5.874 76 HB2 ARG 12 HB2 ARG 12 -2.106 5.169 -6.973 77 HB3 ARG 12 HB3 ARG 12 -2.413 5.592 -5.302 78 HG2 ARG 12 HG2 ARG 12 0.372 5.730 -6.293 79 HG3 ARG 12 HG3 ARG 12 -0.761 6.984 -6.794 80 HD2 ARG 12 HD2 ARG 12 -1.306 7.355 -4.393 81 HD3 ARG 12 HD3 ARG 12 -0.026 6.217 -3.973 82 HE ARG 12 HE ARG 12 1.084 8.152 -5.637 83 HH11 ARG 12 HH11 ARG 12 -0.354 7.942 -2.473 84 HH12 ARG 12 HH12 ARG 12 0.550 9.274 -1.833 85 HH21 ARG 12 HH21 ARG 12 2.276 9.908 -4.805 86 HH22 ARG 12 HH22 ARG 12 2.044 10.392 -3.159 87 H VAL 13 H VAL 13 -3.305 3.760 -4.169 88 HA VAL 13 HA VAL 13 -2.266 4.543 -1.677 89 HB VAL 13 HB VAL 13 -4.836 3.133 -2.385 90 HG11 VAL 13 HG11 VAL 13 -5.618 3.796 -0.147 91 HG12 VAL 13 HG12 VAL 13 -3.986 4.340 0.243 92 HG13 VAL 13 HG13 VAL 13 -4.294 2.634 -0.082 93 HG21 VAL 13 HG21 VAL 13 -5.825 5.356 -1.983 94 HG22 VAL 13 HG22 VAL 13 -4.664 5.358 -3.313 95 HG23 VAL 13 HG23 VAL 13 -4.205 6.008 -1.741 96 H ILE 14 H ILE 14 -2.839 1.352 -3.114 97 HA ILE 14 HA ILE 14 -2.376 -0.071 -0.762 98 HB ILE 14 HB ILE 14 -2.242 -2.057 -2.077 99 HG12 ILE 14 HG12 ILE 14 -1.994 -0.287 -4.512 100 HG13 ILE 14 HG13 ILE 14 -0.695 -1.258 -3.830 101 HG21 ILE 14 HG21 ILE 14 -4.205 -0.093 -3.216 102 HG22 ILE 14 HG22 ILE 14 -4.436 -1.143 -1.825 103 HG23 ILE 14 HG23 ILE 14 -4.292 -1.838 -3.437 104 HD11 ILE 14 HD11 ILE 14 -1.716 -2.298 -5.794 105 HD12 ILE 14 HD12 ILE 14 -3.265 -2.344 -4.955 106 HD13 ILE 14 HD13 ILE 14 -1.904 -3.287 -4.345 107 H LEU 15 H LEU 15 -0.047 0.110 -3.514 108 HA LEU 15 HA LEU 15 2.026 -0.901 -2.186 109 HB2 LEU 15 HB2 LEU 15 2.353 1.374 -4.135 110 HB3 LEU 15 HB3 LEU 15 3.527 0.137 -3.759 111 HG LEU 15 HG LEU 15 0.876 -0.677 -4.867 112 HD11 LEU 15 HD11 LEU 15 1.784 -0.472 -7.134 113 HD12 LEU 15 HD12 LEU 15 3.198 0.360 -6.484 114 HD13 LEU 15 HD13 LEU 15 1.601 1.097 -6.352 115 HD21 LEU 15 HD21 LEU 15 3.678 -1.759 -5.137 116 HD22 LEU 15 HD22 LEU 15 2.216 -2.489 -5.801 117 HD23 LEU 15 HD23 LEU 15 2.430 -2.376 -4.055 118 H LEU 16 H LEU 16 0.894 2.386 -1.754 119 HA LEU 16 HA LEU 16 3.339 3.388 -0.602 120 HB2 LEU 16 HB2 LEU 16 1.875 4.923 -1.731 121 HB3 LEU 16 HB3 LEU 16 0.512 4.410 -0.758 122 HG LEU 16 HG LEU 16 1.634 5.338 1.237 123 HD11 LEU 16 HD11 LEU 16 3.579 6.450 -0.779 124 HD12 LEU 16 HD12 LEU 16 3.935 5.214 0.428 125 HD13 LEU 16 HD13 LEU 16 3.523 6.851 0.937 126 HD21 LEU 16 HD21 LEU 16 1.184 7.260 -1.037 127 HD22 LEU 16 HD22 LEU 16 1.172 7.670 0.679 128 HD23 LEU 16 HD23 LEU 16 -0.058 6.591 0.019 129 H VAL 17 H VAL 17 0.197 2.212 0.430 130 HA VAL 17 HA VAL 17 0.605 2.682 3.190 131 HB VAL 17 HB VAL 17 -1.582 2.427 1.999 132 HG11 VAL 17 HG11 VAL 17 -1.375 0.485 0.737 133 HG12 VAL 17 HG12 VAL 17 -2.506 0.082 2.032 134 HG13 VAL 17 HG13 VAL 17 -0.831 -0.462 2.123 135 HG21 VAL 17 HG21 VAL 17 -1.221 0.736 4.462 136 HG22 VAL 17 HG22 VAL 17 -2.707 1.519 3.924 137 HG23 VAL 17 HG23 VAL 17 -1.336 2.497 4.449 138 H LEU 18 H LEU 18 0.920 -0.280 1.193 139 HA LEU 18 HA LEU 18 1.783 -1.920 3.213 140 HB2 LEU 18 HB2 LEU 18 2.869 -1.965 0.388 141 HB3 LEU 18 HB3 LEU 18 2.936 -3.289 1.532 142 HG LEU 18 HG LEU 18 0.680 -2.333 -0.137 143 HD11 LEU 18 HD11 LEU 18 0.315 -4.735 -0.380 144 HD12 LEU 18 HD12 LEU 18 1.634 -5.043 0.749 145 HD13 LEU 18 HD13 LEU 18 1.963 -4.269 -0.801 146 HD21 LEU 18 HD21 LEU 18 -0.950 -3.484 1.294 147 HD22 LEU 18 HD22 LEU 18 -0.242 -2.086 2.102 148 HD23 LEU 18 HD23 LEU 18 0.300 -3.712 2.519 149 H TYR 19 H TYR 19 3.394 0.693 1.681 150 HA TYR 19 HA TYR 19 6.095 -0.051 2.048 151 HB2 TYR 19 HB2 TYR 19 5.459 1.768 0.569 152 HB3 TYR 19 HB3 TYR 19 4.841 2.688 1.933 153 HD1 TYR 19 HD1 TYR 19 7.922 1.357 0.384 154 HD2 TYR 19 HD2 TYR 19 6.277 3.999 3.285 155 HE1 TYR 19 HE1 TYR 19 10.133 2.387 0.693 156 HE2 TYR 19 HE2 TYR 19 8.484 5.036 3.600 157 HH TYR 19 HH TYR 19 10.851 4.463 3.277 158 H ARG 20 H ARG 20 4.363 2.450 3.976 159 HA ARG 20 HA ARG 20 6.186 2.467 5.977 160 HB2 ARG 20 HB2 ARG 20 4.427 3.374 7.466 161 HB3 ARG 20 HB3 ARG 20 4.440 4.121 5.876 162 HG2 ARG 20 HG2 ARG 20 2.230 3.799 6.014 163 HG3 ARG 20 HG3 ARG 20 2.637 2.176 5.458 164 HD2 ARG 20 HD2 ARG 20 1.162 1.984 7.338 165 HD3 ARG 20 HD3 ARG 20 2.772 1.461 7.832 166 HE ARG 20 HE ARG 20 2.492 4.183 8.432 167 HH11 ARG 20 HH11 ARG 20 1.236 1.091 9.435 168 HH12 ARG 20 HH12 ARG 20 0.915 1.603 11.058 169 HH21 ARG 20 HH21 ARG 20 2.074 4.865 10.569 170 HH22 ARG 20 HH22 ARG 20 1.390 3.748 11.702 171 H GLU 21 H GLU 21 3.157 0.603 6.323 172 HA GLU 21 HA GLU 21 3.811 -0.835 8.403 173 HB2 GLU 21 HB2 GLU 21 1.668 -1.023 7.146 174 HB3 GLU 21 HB3 GLU 21 2.466 -2.127 6.031 175 HG2 GLU 21 HG2 GLU 21 1.133 -3.263 7.760 176 HG3 GLU 21 HG3 GLU 21 2.831 -3.724 7.775 177 H HIS 22 H HIS 22 5.404 -1.173 5.396 178 HA HIS 22 HA HIS 22 6.356 -3.890 5.879 179 HB2 HIS 22 HB2 HIS 22 6.027 -3.430 3.582 180 HB3 HIS 22 HB3 HIS 22 6.861 -1.885 3.685 181 HD1 HIS 22 HD1 HIS 22 7.406 -5.475 3.063 182 HD2 HIS 22 HD2 HIS 22 9.721 -2.118 3.866 183 HE1 HIS 22 HE1 HIS 22 9.758 -6.114 2.445 184 HE2 HIS 22 HE2 HIS 22 11.125 -4.040 2.857 185 H LEU 23 H LEU 23 7.580 -0.563 5.777 186 HA LEU 23 HA LEU 23 10.149 -1.212 6.677 187 HB2 LEU 23 HB2 LEU 23 8.575 1.342 6.609 188 HB3 LEU 23 HB3 LEU 23 10.179 1.291 7.317 189 HG LEU 23 HG LEU 23 10.946 0.311 5.092 190 HD11 LEU 23 HD11 LEU 23 9.609 0.841 3.144 191 HD12 LEU 23 HD12 LEU 23 8.325 1.464 4.180 192 HD13 LEU 23 HD13 LEU 23 8.737 -0.250 4.220 193 HD21 LEU 23 HD21 LEU 23 11.232 2.498 4.110 194 HD22 LEU 23 HD22 LEU 23 11.435 2.594 5.860 195 HD23 LEU 23 HD23 LEU 23 9.934 3.142 5.114 196 H ASN 24 H ASN 24 7.497 -1.802 8.325 197 HA ASN 24 HA ASN 24 7.933 -0.659 10.854 198 HB2 ASN 24 HB2 ASN 24 6.217 -2.771 9.732 199 HB3 ASN 24 HB3 ASN 24 6.613 -2.964 11.437 200 HD21 ASN 24 HD21 ASN 24 5.885 -1.495 12.924 201 HD22 ASN 24 HD22 ASN 24 4.680 -0.316 12.547 202 HA PRO 25 HA PRO 25 11.562 -3.161 11.877 203 HB2 PRO 25 HB2 PRO 25 11.393 -1.621 14.383 204 HB3 PRO 25 HB3 PRO 25 12.728 -1.759 13.241 205 HG2 PRO 25 HG2 PRO 25 11.288 0.495 13.464 206 HG3 PRO 25 HG3 PRO 25 11.940 -0.048 11.906 207 HD2 PRO 25 HD2 PRO 25 9.148 -0.255 12.969 208 HD3 PRO 25 HD3 PRO 25 9.708 0.114 11.328 209 H ASN 26 H ASN 26 8.759 -2.488 13.892 210 HA ASN 26 HA ASN 26 9.256 -4.975 15.365 211 HB2 ASN 26 HB2 ASN 26 7.895 -2.439 16.239 212 HB3 ASN 26 HB3 ASN 26 7.660 -3.961 17.090 213 HD21 ASN 26 HD21 ASN 26 9.896 -1.427 16.300 214 HD22 ASN 26 HD22 ASN 26 11.098 -1.843 17.470 215 H GLY 27 H GLY 27 7.379 -3.516 13.060 216 HA2 GLY 27 HA2 GLY 27 5.021 -5.144 13.636 217 HA3 GLY 27 HA3 GLY 27 5.126 -3.860 12.441 218 H HIS 28 H HIS 28 3.936 -5.686 11.274 219 HA HIS 28 HA HIS 28 5.710 -7.788 10.276 220 HB2 HIS 28 HB2 HIS 28 2.758 -7.321 9.792 221 HB3 HIS 28 HB3 HIS 28 3.684 -8.698 9.202 222 HD1 HIS 28 HD1 HIS 28 3.956 -10.650 10.759 223 HD2 HIS 28 HD2 HIS 28 2.435 -7.284 12.662 224 HE1 HIS 28 HE1 HIS 28 3.282 -11.423 13.055 225 HE2 HIS 28 HE2 HIS 28 2.293 -9.387 14.162 226 H HIS 29 H HIS 29 6.273 -7.976 8.122 227 HA HIS 29 HA HIS 29 6.363 -5.509 6.641 228 HB2 HIS 29 HB2 HIS 29 7.304 -8.272 5.838 229 HB3 HIS 29 HB3 HIS 29 7.737 -6.757 5.054 230 HD1 HIS 29 HD1 HIS 29 8.417 -8.789 8.125 231 HD2 HIS 29 HD2 HIS 29 9.731 -5.280 6.329 232 HE1 HIS 29 HE1 HIS 29 10.495 -8.130 9.378 233 HE2 HIS 29 HE2 HIS 29 11.323 -6.055 8.214 234 H PHE 30 H PHE 30 3.721 -6.578 7.048 235 HA PHE 30 HA PHE 30 2.711 -6.441 4.409 236 HB2 PHE 30 HB2 PHE 30 1.701 -8.686 4.254 237 HB3 PHE 30 HB3 PHE 30 3.457 -8.764 4.264 238 HD1 PHE 30 HD1 PHE 30 0.421 -9.314 6.276 239 HD2 PHE 30 HD2 PHE 30 4.628 -9.893 5.996 240 HE1 PHE 30 HE1 PHE 30 0.324 -10.889 8.162 241 HE2 PHE 30 HE2 PHE 30 4.538 -11.472 7.882 242 HZ PHE 30 HZ PHE 30 2.382 -11.971 8.967 243 H LEU 31 H LEU 31 0.272 -7.150 4.430 244 HA LEU 31 HA LEU 31 -1.035 -6.988 7.026 245 HB2 LEU 31 HB2 LEU 31 -0.983 -4.846 4.960 246 HB3 LEU 31 HB3 LEU 31 -2.490 -5.134 5.801 247 HG LEU 31 HG LEU 31 0.117 -4.518 7.178 248 HD11 LEU 31 HD11 LEU 31 -2.194 -2.695 6.527 249 HD12 LEU 31 HD12 LEU 31 -0.577 -2.622 5.825 250 HD13 LEU 31 HD13 LEU 31 -0.811 -2.280 7.540 251 HD21 LEU 31 HD21 LEU 31 -1.468 -5.760 8.552 252 HD22 LEU 31 HD22 LEU 31 -2.723 -4.575 8.188 253 HD23 LEU 31 HD23 LEU 31 -1.305 -4.099 9.122 254 H THR 32 H THR 32 -3.337 -7.421 6.899 255 HA THR 32 HA THR 32 -3.903 -9.343 4.774 256 HB THR 32 HB THR 32 -5.937 -9.884 6.074 257 HG1 THR 32 HG1 THR 32 -6.010 -8.934 8.244 258 HG21 THR 32 HG21 THR 32 -3.378 -9.913 7.679 259 HG22 THR 32 HG22 THR 32 -3.893 -11.132 6.512 260 HG23 THR 32 HG23 THR 32 -4.801 -10.904 8.007 261 H LYS 33 H LYS 33 -6.160 -9.235 3.814 262 HA LYS 33 HA LYS 33 -6.361 -6.825 2.339 263 HB2 LYS 33 HB2 LYS 33 -7.279 -9.296 1.922 264 HB3 LYS 33 HB3 LYS 33 -8.732 -8.603 2.626 265 HG2 LYS 33 HG2 LYS 33 -7.274 -7.504 0.230 266 HG3 LYS 33 HG3 LYS 33 -8.723 -8.508 0.173 267 HD2 LYS 33 HD2 LYS 33 -9.962 -6.798 1.402 268 HD3 LYS 33 HD3 LYS 33 -8.509 -5.799 1.487 269 HE2 LYS 33 HE2 LYS 33 -9.983 -5.034 -0.296 270 HE3 LYS 33 HE3 LYS 33 -8.466 -5.650 -0.954 271 HZ1 LYS 33 HZ1 LYS 33 -10.352 -6.431 -2.234 272 HZ2 LYS 33 HZ2 LYS 33 -11.041 -7.128 -0.856 273 HZ3 LYS 33 HZ3 LYS 33 -9.587 -7.733 -1.471 274 H GLU 34 H GLU 34 -8.168 -8.098 5.118 275 HA GLU 34 HA GLU 34 -10.086 -6.016 5.213 276 HB2 GLU 34 HB2 GLU 34 -10.548 -6.846 7.487 277 HB3 GLU 34 HB3 GLU 34 -10.491 -8.143 6.303 278 HG2 GLU 34 HG2 GLU 34 -8.228 -8.705 7.023 279 HG3 GLU 34 HG3 GLU 34 -8.279 -7.398 8.205 280 H GLU 35 H GLU 35 -6.820 -6.278 6.449 281 HA GLU 35 HA GLU 35 -7.155 -4.147 8.394 282 HB2 GLU 35 HB2 GLU 35 -4.743 -5.693 7.454 283 HB3 GLU 35 HB3 GLU 35 -4.646 -4.358 8.595 284 HG2 GLU 35 HG2 GLU 35 -6.093 -5.568 10.142 285 HG3 GLU 35 HG3 GLU 35 -6.199 -6.905 8.999 286 H LEU 36 H LEU 36 -6.424 -4.483 5.062 287 HA LEU 36 HA LEU 36 -4.703 -2.182 4.797 288 HB2 LEU 36 HB2 LEU 36 -6.253 -3.722 2.722 289 HB3 LEU 36 HB3 LEU 36 -5.033 -2.507 2.410 290 HG LEU 36 HG LEU 36 -4.437 -5.022 3.905 291 HD11 LEU 36 HD11 LEU 36 -5.305 -5.450 1.580 292 HD12 LEU 36 HD12 LEU 36 -3.689 -6.061 1.929 293 HD13 LEU 36 HD13 LEU 36 -3.887 -4.582 0.992 294 HD21 LEU 36 HD21 LEU 36 -2.687 -3.034 2.482 295 HD22 LEU 36 HD22 LEU 36 -2.131 -4.499 3.291 296 HD23 LEU 36 HD23 LEU 36 -2.865 -3.198 4.229 297 H LEU 37 H LEU 37 -8.099 -2.953 4.149 298 HA LEU 37 HA LEU 37 -8.922 -0.581 2.957 299 HB2 LEU 37 HB2 LEU 37 -10.279 -2.640 4.636 300 HB3 LEU 37 HB3 LEU 37 -11.138 -1.162 4.253 301 HG LEU 37 HG LEU 37 -11.723 -2.960 2.705 302 HD11 LEU 37 HD11 LEU 37 -11.796 -0.663 1.905 303 HD12 LEU 37 HD12 LEU 37 -11.324 -1.766 0.612 304 HD13 LEU 37 HD13 LEU 37 -10.107 -0.771 1.410 305 HD21 LEU 37 HD21 LEU 37 -10.055 -3.795 1.102 306 HD22 LEU 37 HD22 LEU 37 -9.671 -4.240 2.765 307 HD23 LEU 37 HD23 LEU 37 -8.797 -2.925 1.980 308 H GLN 38 H GLN 38 -8.065 -1.210 6.263 309 HA GLN 38 HA GLN 38 -9.511 1.091 7.322 310 HB2 GLN 38 HB2 GLN 38 -7.510 -0.756 8.642 311 HB3 GLN 38 HB3 GLN 38 -8.417 0.514 9.451 312 HG2 GLN 38 HG2 GLN 38 -10.504 -0.652 8.935 313 HG3 GLN 38 HG3 GLN 38 -9.586 -1.930 8.138 314 HE21 GLN 38 HE21 GLN 38 -8.362 -3.351 9.381 315 HE22 GLN 38 HE22 GLN 38 -8.601 -3.521 11.083 316 H ARG 39 H ARG 39 -6.203 -0.029 6.784 317 HA ARG 39 HA ARG 39 -4.757 2.152 7.425 318 HB2 ARG 39 HB2 ARG 39 -4.308 0.499 4.944 319 HB3 ARG 39 HB3 ARG 39 -3.097 1.427 5.818 320 HG2 ARG 39 HG2 ARG 39 -4.609 -0.791 7.111 321 HG3 ARG 39 HG3 ARG 39 -3.156 -1.089 6.162 322 HD2 ARG 39 HD2 ARG 39 -2.472 -0.917 8.425 323 HD3 ARG 39 HD3 ARG 39 -1.983 0.576 7.630 324 HE ARG 39 HE ARG 39 -4.519 0.930 8.793 325 HH11 ARG 39 HH11 ARG 39 -1.175 0.531 9.688 326 HH12 ARG 39 HH12 ARG 39 -1.332 1.422 11.166 327 HH21 ARG 39 HH21 ARG 39 -4.733 2.104 10.735 328 HH22 ARG 39 HH22 ARG 39 -3.354 2.315 11.761 329 H CYS 40 H CYS 40 -6.487 1.626 4.408 330 HA CYS 40 HA CYS 40 -5.543 3.819 2.942 331 HB2 CYS 40 HB2 CYS 40 -6.864 2.041 1.913 332 HB3 CYS 40 HB3 CYS 40 -8.270 2.514 2.858 333 HG CYS 40 HG CYS 40 -8.866 4.757 1.520 334 H ALA 41 H ALA 41 -8.052 3.585 5.394 335 HA ALA 41 HA ALA 41 -9.140 6.139 5.062 336 HB1 ALA 41 HB1 ALA 41 -10.066 5.867 7.296 337 HB2 ALA 41 HB2 ALA 41 -8.969 4.520 7.600 338 HB3 ALA 41 HB3 ALA 41 -10.225 4.375 6.370 339 H GLN 42 H GLN 42 -6.005 5.660 5.650 340 HA GLN 42 HA GLN 42 -5.773 7.739 7.667 341 HB2 GLN 42 HB2 GLN 42 -4.862 5.383 8.359 342 HB3 GLN 42 HB3 GLN 42 -3.573 5.736 7.219 343 HG2 GLN 42 HG2 GLN 42 -4.304 7.404 9.617 344 HG3 GLN 42 HG3 GLN 42 -2.949 6.283 9.511 345 HE21 GLN 42 HE21 GLN 42 -4.183 9.381 8.620 346 HE22 GLN 42 HE22 GLN 42 -2.718 10.011 7.956 347 H LYS 43 H LYS 43 -4.528 6.035 4.875 348 HA LYS 43 HA LYS 43 -2.582 7.850 4.017 349 HB2 LYS 43 HB2 LYS 43 -2.845 5.494 3.266 350 HB3 LYS 43 HB3 LYS 43 -4.245 5.993 2.328 351 HG2 LYS 43 HG2 LYS 43 -1.752 7.487 1.841 352 HG3 LYS 43 HG3 LYS 43 -1.782 5.800 1.316 353 HD2 LYS 43 HD2 LYS 43 -3.760 6.191 0.013 354 HD3 LYS 43 HD3 LYS 43 -3.880 7.840 0.633 355 HE2 LYS 43 HE2 LYS 43 -1.601 6.768 -1.025 356 HE3 LYS 43 HE3 LYS 43 -2.940 7.731 -1.652 357 HZ1 LYS 43 HZ1 LYS 43 -1.045 9.130 -1.241 358 HZ2 LYS 43 HZ2 LYS 43 -0.938 8.603 0.361 359 HZ3 LYS 43 HZ3 LYS 43 -2.265 9.524 -0.139 360 H SER 44 H SER 44 -5.937 8.184 4.073 361 HA SER 44 HA SER 44 -5.704 10.678 2.581 362 HB2 SER 44 HB2 SER 44 -7.684 8.496 1.905 363 HB3 SER 44 HB3 SER 44 -7.781 10.146 1.290 364 HG SER 44 HG SER 44 -6.583 9.310 -0.242 365 HA PRO 45 HA PRO 45 -8.126 11.511 6.333 366 HB2 PRO 45 HB2 PRO 45 -7.637 14.313 5.591 367 HB3 PRO 45 HB3 PRO 45 -7.206 13.455 7.073 368 HG2 PRO 45 HG2 PRO 45 -5.351 14.204 5.275 369 HG3 PRO 45 HG3 PRO 45 -5.199 12.710 6.219 370 HD2 PRO 45 HD2 PRO 45 -6.080 13.077 3.378 371 HD3 PRO 45 HD3 PRO 45 -5.025 11.831 4.079 372 H ARG 46 H ARG 46 -8.782 11.923 3.119 373 HA ARG 46 HA ARG 46 -11.260 13.427 3.581 374 HB2 ARG 46 HB2 ARG 46 -9.863 12.700 1.000 375 HB3 ARG 46 HB3 ARG 46 -11.373 13.596 1.108 376 HG2 ARG 46 HG2 ARG 46 -10.213 15.369 2.352 377 HG3 ARG 46 HG3 ARG 46 -8.700 14.477 2.182 378 HD2 ARG 46 HD2 ARG 46 -8.864 14.649 -0.247 379 HD3 ARG 46 HD3 ARG 46 -10.392 15.514 -0.090 380 HE ARG 46 HE ARG 46 -8.316 16.817 1.346 381 HH11 ARG 46 HH11 ARG 46 -9.576 16.314 -1.863 382 HH12 ARG 46 HH12 ARG 46 -8.945 17.803 -2.483 383 HH21 ARG 46 HH21 ARG 46 -7.483 18.780 0.539 384 HH22 ARG 46 HH22 ARG 46 -7.755 19.205 -1.117 385 H VAL 47 H VAL 47 -10.302 10.332 3.697 386 HA VAL 47 HA VAL 47 -12.031 8.900 2.010 387 HB VAL 47 HB VAL 47 -11.787 7.033 3.617 388 HG11 VAL 47 HG11 VAL 47 -9.304 8.545 2.835 389 HG12 VAL 47 HG12 VAL 47 -10.081 7.212 1.980 390 HG13 VAL 47 HG13 VAL 47 -9.264 6.919 3.516 391 HG21 VAL 47 HG21 VAL 47 -11.826 8.360 5.678 392 HG22 VAL 47 HG22 VAL 47 -10.245 9.029 5.275 393 HG23 VAL 47 HG23 VAL 47 -10.415 7.307 5.611 394 H ALA 48 H ALA 48 -14.159 8.429 2.109 395 HA ALA 48 HA ALA 48 -15.723 9.629 4.223 396 HB1 ALA 48 HB1 ALA 48 -16.602 8.182 1.726 397 HB2 ALA 48 HB2 ALA 48 -16.397 9.925 1.898 398 HB3 ALA 48 HB3 ALA 48 -17.650 9.089 2.817 399 HA PRO 49 HA PRO 49 -16.557 6.068 6.687 400 HB2 PRO 49 HB2 PRO 49 -19.422 6.826 6.653 401 HB3 PRO 49 HB3 PRO 49 -18.328 6.623 8.025 402 HG2 PRO 49 HG2 PRO 49 -19.102 9.052 7.232 403 HG3 PRO 49 HG3 PRO 49 -17.452 8.758 7.810 404 HD2 PRO 49 HD2 PRO 49 -18.453 9.074 5.008 405 HD3 PRO 49 HD3 PRO 49 -16.957 9.682 5.747 406 H GLY 50 H GLY 50 -16.970 3.968 6.290 407 HA2 GLY 50 HA2 GLY 50 -17.652 2.078 5.185 408 HA3 GLY 50 HA3 GLY 50 -19.135 2.961 4.856 409 H SER 51 H SER 51 -15.879 3.758 3.740 410 HA SER 51 HA SER 51 -16.845 3.421 0.978 411 HB2 SER 51 HB2 SER 51 -14.696 5.255 2.065 412 HB3 SER 51 HB3 SER 51 -15.093 5.079 0.356 413 HG SER 51 HG SER 51 -16.529 6.557 0.730 414 H ALA 52 H ALA 52 -15.816 2.055 -0.354 415 HA ALA 52 HA ALA 52 -13.114 1.155 0.287 416 HB1 ALA 52 HB1 ALA 52 -14.594 -0.428 1.425 417 HB2 ALA 52 HB2 ALA 52 -13.706 -1.198 0.110 418 HB3 ALA 52 HB3 ALA 52 -15.403 -0.769 -0.105 419 HA PRO 53 HA PRO 53 -13.639 2.045 -4.229 420 HB2 PRO 53 HB2 PRO 53 -10.717 2.437 -3.913 421 HB3 PRO 53 HB3 PRO 53 -11.912 3.478 -4.692 422 HG2 PRO 53 HG2 PRO 53 -10.855 4.132 -2.331 423 HG3 PRO 53 HG3 PRO 53 -12.562 4.453 -2.695 424 HD2 PRO 53 HD2 PRO 53 -11.353 2.273 -1.039 425 HD3 PRO 53 HD3 PRO 53 -12.828 3.221 -0.752 426 HA PRO 54 HA PRO 54 -12.383 -1.806 -5.983 427 HB2 PRO 54 HB2 PRO 54 -10.730 -0.275 -7.938 428 HB3 PRO 54 HB3 PRO 54 -11.950 -1.520 -8.227 429 HG2 PRO 54 HG2 PRO 54 -12.503 1.048 -8.658 430 HG3 PRO 54 HG3 PRO 54 -13.715 -0.042 -7.959 431 HD2 PRO 54 HD2 PRO 54 -12.071 2.063 -6.636 432 HD3 PRO 54 HD3 PRO 54 -13.730 1.539 -6.289 433 H TRP 55 H TRP 55 -11.060 -2.646 -4.380 434 HA TRP 55 HA TRP 55 -8.238 -1.964 -4.480 435 HB2 TRP 55 HB2 TRP 55 -10.063 -2.941 -2.423 436 HB3 TRP 55 HB3 TRP 55 -8.501 -3.762 -2.417 437 HD1 TRP 55 HD1 TRP 55 -9.687 -0.069 -2.658 438 HE1 TRP 55 HE1 TRP 55 -8.103 1.366 -1.227 439 HE3 TRP 55 HE3 TRP 55 -6.528 -3.745 -0.989 440 HZ2 TRP 55 HZ2 TRP 55 -5.815 0.987 0.382 441 HZ3 TRP 55 HZ3 TRP 55 -4.684 -3.108 0.479 442 HH2 TRP 55 HH2 TRP 55 -4.341 -0.803 1.168 443 HA PRO 56 HA PRO 56 -8.598 -6.934 -5.202 444 HB2 PRO 56 HB2 PRO 56 -10.241 -6.341 -7.633 445 HB3 PRO 56 HB3 PRO 56 -10.201 -7.799 -6.634 446 HG2 PRO 56 HG2 PRO 56 -12.185 -6.051 -6.381 447 HG3 PRO 56 HG3 PRO 56 -11.488 -6.845 -4.956 448 HD2 PRO 56 HD2 PRO 56 -11.164 -4.049 -5.915 449 HD3 PRO 56 HD3 PRO 56 -11.148 -4.685 -4.259 450 H ALA 57 H ALA 57 -8.208 -4.079 -7.113 451 HA ALA 57 HA ALA 57 -6.806 -4.964 -9.300 452 HB1 ALA 57 HB1 ALA 57 -7.498 -2.641 -8.963 453 HB2 ALA 57 HB2 ALA 57 -5.793 -2.755 -9.401 454 HB3 ALA 57 HB3 ALA 57 -6.255 -2.453 -7.725 455 H LEU 58 H LEU 58 -5.666 -4.626 -5.995 456 HA LEU 58 HA LEU 58 -2.966 -4.737 -6.331 457 HB2 LEU 58 HB2 LEU 58 -2.927 -6.031 -4.137 458 HB3 LEU 58 HB3 LEU 58 -3.705 -4.462 -4.143 459 HG LEU 58 HG LEU 58 -5.901 -5.787 -4.468 460 HD11 LEU 58 HD11 LEU 58 -5.227 -7.959 -4.933 461 HD12 LEU 58 HD12 LEU 58 -5.685 -8.030 -3.234 462 HD13 LEU 58 HD13 LEU 58 -3.984 -7.943 -3.687 463 HD21 LEU 58 HD21 LEU 58 -4.376 -5.907 -1.873 464 HD22 LEU 58 HD22 LEU 58 -6.124 -6.061 -2.050 465 HD23 LEU 58 HD23 LEU 58 -5.326 -4.542 -2.459 466 H ARG 59 H ARG 59 -5.212 -7.455 -6.544 467 HA ARG 59 HA ARG 59 -3.455 -9.509 -6.730 468 HB2 ARG 59 HB2 ARG 59 -5.944 -9.149 -8.414 469 HB3 ARG 59 HB3 ARG 59 -5.119 -10.678 -8.138 470 HG2 ARG 59 HG2 ARG 59 -5.615 -10.527 -5.757 471 HG3 ARG 59 HG3 ARG 59 -6.424 -8.981 -6.019 472 HD2 ARG 59 HD2 ARG 59 -8.038 -10.803 -5.862 473 HD3 ARG 59 HD3 ARG 59 -8.057 -10.073 -7.467 474 HE ARG 59 HE ARG 59 -6.304 -12.273 -7.460 475 HH11 ARG 59 HH11 ARG 59 -9.705 -11.535 -7.298 476 HH12 ARG 59 HH12 ARG 59 -10.196 -13.030 -8.021 477 HH21 ARG 59 HH21 ARG 59 -6.940 -14.244 -8.413 478 HH22 ARG 59 HH22 ARG 59 -8.624 -14.571 -8.655 479 H SER 60 H SER 60 -4.616 -7.567 -9.471 480 HA SER 60 HA SER 60 -2.975 -8.582 -11.391 481 HB2 SER 60 HB2 SER 60 -3.881 -5.702 -11.130 482 HB3 SER 60 HB3 SER 60 -3.285 -6.453 -12.611 483 HG SER 60 HG SER 60 -5.366 -6.815 -12.849 484 H LEU 61 H LEU 61 -2.152 -6.364 -8.840 485 HA LEU 61 HA LEU 61 0.274 -5.403 -10.010 486 HB2 LEU 61 HB2 LEU 61 -0.965 -5.244 -7.297 487 HB3 LEU 61 HB3 LEU 61 0.745 -4.882 -7.476 488 HG LEU 61 HG LEU 61 -0.196 -3.326 -9.432 489 HD11 LEU 61 HD11 LEU 61 -2.522 -3.985 -9.074 490 HD12 LEU 61 HD12 LEU 61 -2.275 -2.267 -8.767 491 HD13 LEU 61 HD13 LEU 61 -2.434 -3.389 -7.417 492 HD21 LEU 61 HD21 LEU 61 1.218 -2.588 -7.623 493 HD22 LEU 61 HD22 LEU 61 -0.139 -2.647 -6.499 494 HD23 LEU 61 HD23 LEU 61 -0.137 -1.474 -7.816 495 H LEU 62 H LEU 62 -0.620 -8.167 -8.050 496 HA LEU 62 HA LEU 62 1.909 -8.925 -7.072 497 HB2 LEU 62 HB2 LEU 62 -0.348 -10.694 -8.016 498 HB3 LEU 62 HB3 LEU 62 0.986 -11.199 -7.006 499 HG LEU 62 HG LEU 62 -0.902 -9.048 -6.095 500 HD11 LEU 62 HD11 LEU 62 -2.217 -10.755 -4.964 501 HD12 LEU 62 HD12 LEU 62 -1.236 -12.020 -5.703 502 HD13 LEU 62 HD13 LEU 62 -2.256 -10.994 -6.712 503 HD21 LEU 62 HD21 LEU 62 0.754 -11.062 -4.576 504 HD22 LEU 62 HD22 LEU 62 -0.168 -9.722 -3.896 505 HD23 LEU 62 HD23 LEU 62 1.243 -9.401 -4.900 506 H HIS 63 H HIS 63 0.248 -9.382 -10.115 507 HA HIS 63 HA HIS 63 2.098 -11.046 -11.375 508 HB2 HIS 63 HB2 HIS 63 -0.181 -10.645 -12.208 509 HB3 HIS 63 HB3 HIS 63 0.248 -8.983 -12.591 510 HD1 HIS 63 HD1 HIS 63 0.488 -12.451 -13.867 511 HD2 HIS 63 HD2 HIS 63 1.960 -8.692 -14.849 512 HE1 HIS 63 HE1 HIS 63 1.392 -12.672 -16.204 513 HE2 HIS 63 HE2 HIS 63 2.205 -10.364 -16.806 514 H ARG 64 H ARG 64 1.802 -7.488 -11.420 515 HA ARG 64 HA ARG 64 4.076 -7.055 -12.956 516 HB2 ARG 64 HB2 ARG 64 2.823 -5.235 -10.889 517 HB3 ARG 64 HB3 ARG 64 3.949 -4.734 -12.141 518 HG2 ARG 64 HG2 ARG 64 1.229 -5.926 -12.638 519 HG3 ARG 64 HG3 ARG 64 1.616 -4.206 -12.692 520 HD2 ARG 64 HD2 ARG 64 3.220 -4.636 -14.500 521 HD3 ARG 64 HD3 ARG 64 2.802 -6.348 -14.454 522 HE ARG 64 HE ARG 64 0.454 -4.875 -14.838 523 HH11 ARG 64 HH11 ARG 64 3.405 -5.653 -16.520 524 HH12 ARG 64 HH12 ARG 64 2.693 -5.521 -18.094 525 HH21 ARG 64 HH21 ARG 64 -0.490 -4.700 -16.906 526 HH22 ARG 64 HH22 ARG 64 0.480 -4.980 -18.313 527 H ASN 65 H ASN 65 3.857 -8.242 -9.847 528 HA ASN 65 HA ASN 65 5.455 -8.893 -8.366 529 HB2 ASN 65 HB2 ASN 65 7.422 -7.714 -10.338 530 HB3 ASN 65 HB3 ASN 65 7.846 -8.682 -8.931 531 HD21 ASN 65 HD21 ASN 65 5.487 -10.407 -9.289 532 HD22 ASN 65 HD22 ASN 65 5.878 -11.458 -10.604 533 H LEU 66 H LEU 66 4.140 -6.254 -8.379 534 HA LEU 66 HA LEU 66 6.121 -4.614 -6.988 535 HB2 LEU 66 HB2 LEU 66 3.241 -3.901 -7.443 536 HB3 LEU 66 HB3 LEU 66 4.575 -2.824 -7.108 537 HG LEU 66 HG LEU 66 3.820 -4.136 -9.688 538 HD11 LEU 66 HD11 LEU 66 3.042 -1.873 -9.176 539 HD12 LEU 66 HD12 LEU 66 4.155 -1.892 -10.546 540 HD13 LEU 66 HD13 LEU 66 4.716 -1.356 -8.962 541 HD21 LEU 66 HD21 LEU 66 6.567 -3.126 -8.972 542 HD22 LEU 66 HD22 LEU 66 6.012 -3.451 -10.613 543 HD23 LEU 66 HD23 LEU 66 6.134 -4.768 -9.447 544 H VAL 67 H VAL 67 3.443 -6.669 -6.423 545 HA VAL 67 HA VAL 67 3.702 -6.225 -3.525 546 HB VAL 67 HB VAL 67 1.269 -6.904 -3.372 547 HG11 VAL 67 HG11 VAL 67 1.850 -4.341 -4.850 548 HG12 VAL 67 HG12 VAL 67 2.018 -4.579 -3.110 549 HG13 VAL 67 HG13 VAL 67 0.427 -4.679 -3.866 550 HG21 VAL 67 HG21 VAL 67 -0.124 -6.718 -5.305 551 HG22 VAL 67 HG22 VAL 67 1.170 -7.866 -5.652 552 HG23 VAL 67 HG23 VAL 67 1.248 -6.230 -6.302 553 H LEU 68 H LEU 68 3.102 -8.128 -2.226 554 HA LEU 68 HA LEU 68 3.722 -10.622 -3.674 555 HB2 LEU 68 HB2 LEU 68 5.466 -9.740 -2.043 556 HB3 LEU 68 HB3 LEU 68 4.308 -10.080 -0.775 557 HG LEU 68 HG LEU 68 4.295 -12.473 -1.497 558 HD11 LEU 68 HD11 LEU 68 6.127 -13.260 -2.912 559 HD12 LEU 68 HD12 LEU 68 6.615 -11.590 -3.207 560 HD13 LEU 68 HD13 LEU 68 5.052 -12.168 -3.787 561 HD21 LEU 68 HD21 LEU 68 5.625 -11.731 0.400 562 HD22 LEU 68 HD22 LEU 68 6.962 -11.333 -0.678 563 HD23 LEU 68 HD23 LEU 68 6.452 -13.010 -0.487 564 H ARG 69 H ARG 69 2.483 -12.426 -3.222 565 HA ARG 69 HA ARG 69 0.045 -11.889 -1.657 566 HB2 ARG 69 HB2 ARG 69 -0.790 -13.990 -2.935 567 HB3 ARG 69 HB3 ARG 69 -0.771 -12.433 -3.753 568 HG2 ARG 69 HG2 ARG 69 1.082 -12.997 -5.040 569 HG3 ARG 69 HG3 ARG 69 1.526 -14.340 -3.982 570 HD2 ARG 69 HD2 ARG 69 -0.481 -15.549 -4.681 571 HD3 ARG 69 HD3 ARG 69 -0.926 -14.208 -5.735 572 HE ARG 69 HE ARG 69 1.651 -15.062 -6.422 573 HH11 ARG 69 HH11 ARG 69 -1.641 -16.200 -6.524 574 HH12 ARG 69 HH12 ARG 69 -1.387 -17.201 -7.914 575 HH21 ARG 69 HH21 ARG 69 1.994 -16.378 -8.252 576 HH22 ARG 69 HH22 ARG 69 0.679 -17.303 -8.896 577 H THR 70 H THR 70 -0.598 -13.387 -0.085 578 HA THR 70 HA THR 70 1.232 -15.643 0.333 579 HB THR 70 HB THR 70 0.023 -14.128 2.624 580 HG1 THR 70 HG1 THR 70 2.306 -13.470 1.063 581 HG21 THR 70 HG21 THR 70 2.246 -16.064 2.197 582 HG22 THR 70 HG22 THR 70 1.073 -15.967 3.514 583 HG23 THR 70 HG23 THR 70 2.432 -14.848 3.459 584 H HIS 71 H HIS 71 0.271 -16.906 2.374 585 HA HIS 71 HA HIS 71 -1.427 -18.778 1.581 586 HB2 HIS 71 HB2 HIS 71 -0.493 -17.708 4.078 587 HB3 HIS 71 HB3 HIS 71 -2.103 -18.379 4.255 588 HD1 HIS 71 HD1 HIS 71 -2.276 -20.978 3.294 589 HD2 HIS 71 HD2 HIS 71 1.492 -19.496 4.239 590 HE1 HIS 71 HE1 HIS 71 -0.802 -23.002 3.543 591 HE2 HIS 71 HE2 HIS 71 1.457 -22.086 4.186 592 H GLN 72 H GLN 72 -2.857 -16.473 3.932 593 HA GLN 72 HA GLN 72 -5.026 -15.651 2.212 594 HB2 GLN 72 HB2 GLN 72 -5.586 -17.990 2.560 595 HB3 GLN 72 HB3 GLN 72 -5.343 -17.824 4.291 596 HG2 GLN 72 HG2 GLN 72 -7.254 -16.303 4.408 597 HG3 GLN 72 HG3 GLN 72 -7.499 -16.488 2.671 598 HE21 GLN 72 HE21 GLN 72 -8.294 -18.431 1.867 599 HE22 GLN 72 HE22 GLN 72 -9.062 -19.599 2.883 600 HA PRO 73 HA PRO 73 -7.221 -14.671 2.577 601 HB2 PRO 73 HB2 PRO 73 -6.965 -11.727 2.625 602 HB3 PRO 73 HB3 PRO 73 -8.422 -12.724 2.668 603 HG2 PRO 73 HG2 PRO 73 -7.574 -11.421 4.841 604 HG3 PRO 73 HG3 PRO 73 -8.306 -13.033 4.958 605 HD2 PRO 73 HD2 PRO 73 -5.418 -12.247 5.084 606 HD3 PRO 73 HD3 PRO 73 -6.302 -13.450 6.046 607 H ALA 74 H ALA 74 -4.192 -13.366 2.989 608 HA ALA 74 HA ALA 74 -2.603 -14.168 1.182 609 HB1 ALA 74 HB1 ALA 74 -2.795 -12.944 -0.937 610 HB2 ALA 74 HB2 ALA 74 -4.311 -12.228 -0.389 611 HB3 ALA 74 HB3 ALA 74 -4.203 -13.968 -0.657 612 H ARG 75 H ARG 75 -1.298 -13.269 2.758 613 HA ARG 75 HA ARG 75 -1.313 -10.554 3.521 614 HB2 ARG 75 HB2 ARG 75 1.071 -12.414 3.504 615 HB3 ARG 75 HB3 ARG 75 0.851 -10.992 4.507 616 HG2 ARG 75 HG2 ARG 75 -0.712 -12.029 5.869 617 HG3 ARG 75 HG3 ARG 75 -1.085 -13.264 4.665 618 HD2 ARG 75 HD2 ARG 75 0.945 -14.410 5.069 619 HD3 ARG 75 HD3 ARG 75 1.610 -13.055 5.985 620 HE ARG 75 HE ARG 75 -0.711 -13.944 7.272 621 HH11 ARG 75 HH11 ARG 75 2.521 -15.042 6.569 622 HH12 ARG 75 HH12 ARG 75 2.621 -16.054 7.972 623 HH21 ARG 75 HH21 ARG 75 -0.587 -15.273 9.122 624 HH22 ARG 75 HH22 ARG 75 0.853 -16.185 9.422 625 H TYR 76 H TYR 76 -0.762 -8.793 2.356 626 HA TYR 76 HA TYR 76 0.936 -9.179 0.068 627 HB2 TYR 76 HB2 TYR 76 -0.852 -6.897 0.876 628 HB3 TYR 76 HB3 TYR 76 0.116 -6.912 -0.595 629 HD1 TYR 76 HD1 TYR 76 -0.192 -9.134 -2.042 630 HD2 TYR 76 HD2 TYR 76 -3.059 -7.592 0.696 631 HE1 TYR 76 HE1 TYR 76 -1.959 -10.384 -3.208 632 HE2 TYR 76 HE2 TYR 76 -4.837 -8.839 -0.460 633 HH TYR 76 HH TYR 76 -5.261 -9.817 -2.676 634 H SER 77 H SER 77 2.791 -8.088 -0.411 635 HA SER 77 HA SER 77 3.925 -6.383 1.604 636 HB2 SER 77 HB2 SER 77 4.676 -8.562 2.413 637 HB3 SER 77 HB3 SER 77 5.323 -8.948 0.819 638 HG SER 77 HG SER 77 7.080 -8.059 1.545 639 H LEU 78 H LEU 78 5.002 -4.779 0.668 640 HA LEU 78 HA LEU 78 5.184 -4.383 -2.037 641 HB2 LEU 78 HB2 LEU 78 6.649 -3.242 0.297 642 HB3 LEU 78 HB3 LEU 78 7.188 -2.829 -1.315 643 HG LEU 78 HG LEU 78 4.518 -2.224 -0.068 644 HD11 LEU 78 HD11 LEU 78 6.515 -0.810 0.464 645 HD12 LEU 78 HD12 LEU 78 5.180 0.047 -0.301 646 HD13 LEU 78 HD13 LEU 78 6.598 -0.400 -1.249 647 HD21 LEU 78 HD21 LEU 78 5.427 -1.844 -2.916 648 HD22 LEU 78 HD22 LEU 78 3.990 -1.108 -2.213 649 HD23 LEU 78 HD23 LEU 78 4.100 -2.862 -2.358 650 H THR 79 H THR 79 6.352 -5.490 -3.566 651 HA THR 79 HA THR 79 8.793 -6.763 -2.884 652 HB THR 79 HB THR 79 8.525 -6.613 -5.706 653 HG1 THR 79 HG1 THR 79 6.276 -7.481 -5.731 654 HG21 THR 79 HG21 THR 79 8.002 -8.992 -5.513 655 HG22 THR 79 HG22 THR 79 7.672 -8.790 -3.793 656 HG23 THR 79 HG23 THR 79 9.307 -8.558 -4.411 657 HA PRO 80 HA PRO 80 12.128 -4.041 -4.071 658 HB2 PRO 80 HB2 PRO 80 12.108 -5.136 -6.862 659 HB3 PRO 80 HB3 PRO 80 13.480 -4.771 -5.814 660 HG2 PRO 80 HG2 PRO 80 12.660 -7.273 -6.089 661 HG3 PRO 80 HG3 PRO 80 13.143 -6.663 -4.495 662 HD2 PRO 80 HD2 PRO 80 10.429 -7.241 -5.560 663 HD3 PRO 80 HD3 PRO 80 11.034 -7.338 -3.895 664 H GLU 81 H GLU 81 9.926 -4.341 -6.880 665 HA GLU 81 HA GLU 81 10.463 -1.671 -7.786 666 HB2 GLU 81 HB2 GLU 81 8.351 -3.699 -8.506 667 HB3 GLU 81 HB3 GLU 81 8.437 -2.105 -9.237 668 HG2 GLU 81 HG2 GLU 81 9.457 -3.763 -10.663 669 HG3 GLU 81 HG3 GLU 81 10.658 -2.609 -10.092 670 H GLY 82 H GLY 82 7.952 -3.234 -5.831 671 HA2 GLY 82 HA2 GLY 82 6.155 -0.977 -5.841 672 HA3 GLY 82 HA3 GLY 82 6.100 -2.350 -4.756 673 H LEU 83 H LEU 83 8.974 -1.988 -4.100 674 HA LEU 83 HA LEU 83 8.595 -0.352 -1.787 675 HB2 LEU 83 HB2 LEU 83 10.345 -2.365 -2.543 676 HB3 LEU 83 HB3 LEU 83 11.358 -0.936 -2.520 677 HG LEU 83 HG LEU 83 11.487 -2.075 -0.389 678 HD11 LEU 83 HD11 LEU 83 10.832 -0.253 1.109 679 HD12 LEU 83 HD12 LEU 83 9.894 0.474 -0.197 680 HD13 LEU 83 HD13 LEU 83 11.648 0.342 -0.337 681 HD21 LEU 83 HD21 LEU 83 9.327 -3.211 -0.465 682 HD22 LEU 83 HD22 LEU 83 8.507 -1.670 -0.217 683 HD23 LEU 83 HD23 LEU 83 9.540 -2.333 1.049 684 H GLU 84 H GLU 84 10.826 -0.116 -4.554 685 HA GLU 84 HA GLU 84 11.659 2.429 -4.184 686 HB2 GLU 84 HB2 GLU 84 11.121 1.070 -6.830 687 HB3 GLU 84 HB3 GLU 84 12.067 2.541 -6.645 688 HG2 GLU 84 HG2 GLU 84 13.710 1.379 -5.340 689 HG3 GLU 84 HG3 GLU 84 12.731 -0.082 -5.346 690 H LEU 85 H LEU 85 8.744 1.455 -5.931 691 HA LEU 85 HA LEU 85 8.108 4.056 -6.936 692 HB2 LEU 85 HB2 LEU 85 7.105 1.424 -7.188 693 HB3 LEU 85 HB3 LEU 85 5.809 2.394 -6.518 694 HG LEU 85 HG LEU 85 7.301 2.999 -9.071 695 HD11 LEU 85 HD11 LEU 85 5.209 2.397 -10.182 696 HD12 LEU 85 HD12 LEU 85 4.514 1.939 -8.627 697 HD13 LEU 85 HD13 LEU 85 5.879 1.036 -9.284 698 HD21 LEU 85 HD21 LEU 85 6.514 5.016 -7.933 699 HD22 LEU 85 HD22 LEU 85 4.890 4.334 -7.845 700 HD23 LEU 85 HD23 LEU 85 5.602 4.715 -9.413 701 H ALA 86 H ALA 86 7.296 2.117 -4.094 702 HA ALA 86 HA ALA 86 5.236 3.779 -3.065 703 HB1 ALA 86 HB1 ALA 86 7.128 1.973 -1.566 704 HB2 ALA 86 HB2 ALA 86 5.596 1.482 -2.291 705 HB3 ALA 86 HB3 ALA 86 5.611 2.638 -0.961 706 H GLN 87 H GLN 87 8.759 3.804 -2.771 707 HA GLN 87 HA GLN 87 8.966 5.679 -0.667 708 HB2 GLN 87 HB2 GLN 87 10.802 5.067 -2.990 709 HB3 GLN 87 HB3 GLN 87 11.218 6.186 -1.701 710 HG2 GLN 87 HG2 GLN 87 11.055 4.389 -0.070 711 HG3 GLN 87 HG3 GLN 87 10.600 3.263 -1.346 712 HE21 GLN 87 HE21 GLN 87 13.174 5.120 0.059 713 HE22 GLN 87 HE22 GLN 87 14.470 4.335 -0.770 714 H LYS 88 H LYS 88 8.717 6.006 -4.172 715 HA LYS 88 HA LYS 88 8.766 8.756 -4.267 716 HB2 LYS 88 HB2 LYS 88 7.056 7.205 -6.173 717 HB3 LYS 88 HB3 LYS 88 8.111 8.569 -6.485 718 HG2 LYS 88 HG2 LYS 88 8.945 5.734 -5.925 719 HG3 LYS 88 HG3 LYS 88 9.048 6.583 -7.466 720 HD2 LYS 88 HD2 LYS 88 10.689 8.115 -6.541 721 HD3 LYS 88 HD3 LYS 88 10.538 7.355 -4.956 722 HE2 LYS 88 HE2 LYS 88 11.400 5.258 -5.859 723 HE3 LYS 88 HE3 LYS 88 11.500 5.980 -7.465 724 HZ1 LYS 88 HZ1 LYS 88 13.125 7.556 -6.615 725 HZ2 LYS 88 HZ2 LYS 88 13.649 5.967 -6.373 726 HZ3 LYS 88 HZ3 LYS 88 13.029 6.859 -5.076 727 H LEU 89 H LEU 89 5.987 6.599 -3.888 728 HA LEU 89 HA LEU 89 3.943 8.552 -4.234 729 HB2 LEU 89 HB2 LEU 89 4.095 5.831 -2.965 730 HB3 LEU 89 HB3 LEU 89 2.645 6.806 -2.852 731 HG LEU 89 HG LEU 89 2.442 6.803 -5.291 732 HD11 LEU 89 HD11 LEU 89 3.854 5.466 -6.694 733 HD12 LEU 89 HD12 LEU 89 4.793 4.933 -5.301 734 HD13 LEU 89 HD13 LEU 89 4.848 6.621 -5.806 735 HD21 LEU 89 HD21 LEU 89 1.831 4.467 -5.564 736 HD22 LEU 89 HD22 LEU 89 1.359 5.046 -3.966 737 HD23 LEU 89 HD23 LEU 89 2.793 4.037 -4.150 738 H ALA 90 H ALA 90 5.972 7.453 -1.650 739 HA ALA 90 HA ALA 90 4.607 8.703 0.457 740 HB1 ALA 90 HB1 ALA 90 6.588 8.260 1.779 741 HB2 ALA 90 HB2 ALA 90 7.528 7.975 0.314 742 HB3 ALA 90 HB3 ALA 90 6.219 6.876 0.750 743 H GLU 91 H GLU 91 7.080 9.855 -1.705 744 HA GLU 91 HA GLU 91 7.971 12.110 -0.384 745 HB2 GLU 91 HB2 GLU 91 7.393 12.134 -3.339 746 HB3 GLU 91 HB3 GLU 91 8.667 12.986 -2.475 747 HG2 GLU 91 HG2 GLU 91 9.768 10.879 -1.989 748 HG3 GLU 91 HG3 GLU 91 8.467 10.015 -2.806 749 H SER 92 H SER 92 5.189 11.820 -2.538 750 HA SER 92 HA SER 92 4.217 14.361 -2.321 751 HB2 SER 92 HB2 SER 92 3.410 12.694 -3.928 752 HB3 SER 92 HB3 SER 92 2.627 11.806 -2.622 753 HG SER 92 HG SER 92 1.749 13.970 -3.990 754 H GLU 93 H GLU 93 4.006 11.824 0.055 755 HA GLU 93 HA GLU 93 1.856 13.188 1.515 756 HB2 GLU 93 HB2 GLU 93 3.248 10.610 2.237 757 HB3 GLU 93 HB3 GLU 93 1.747 11.236 2.895 758 HG2 GLU 93 HG2 GLU 93 2.100 10.431 0.026 759 HG3 GLU 93 HG3 GLU 93 1.505 9.355 1.288 760 H GLY 94 H GLY 94 5.192 13.116 1.235 761 HA2 GLY 94 HA2 GLY 94 6.650 14.564 2.430 762 HA3 GLY 94 HA3 GLY 94 5.441 14.680 3.707 763 H LEU 95 H LEU 95 5.444 11.590 2.740 764 HA LEU 95 HA LEU 95 6.183 9.617 3.553 765 HB2 LEU 95 HB2 LEU 95 8.447 11.062 2.997 766 HB3 LEU 95 HB3 LEU 95 8.705 10.596 4.667 767 HG LEU 95 HG LEU 95 8.454 8.849 2.245 768 HD11 LEU 95 HD11 LEU 95 10.670 9.592 2.896 769 HD12 LEU 95 HD12 LEU 95 10.492 7.855 3.152 770 HD13 LEU 95 HD13 LEU 95 10.419 8.961 4.524 771 HD21 LEU 95 HD21 LEU 95 8.061 7.985 5.107 772 HD22 LEU 95 HD22 LEU 95 8.345 6.892 3.753 773 HD23 LEU 95 HD23 LEU 95 6.884 7.881 3.795 774 H SER 96 H SER 96 4.714 11.467 5.252 775 HA SER 96 HA SER 96 5.821 11.362 7.903 776 HB2 SER 96 HB2 SER 96 3.016 12.000 6.954 777 HB3 SER 96 HB3 SER 96 3.601 12.210 8.605 778 HG SER 96 HG SER 96 3.654 14.058 6.959 779 H LEU 97 H LEU 97 3.544 9.454 6.021 780 HA LEU 97 HA LEU 97 2.306 7.776 7.320 781 HB2 LEU 97 HB2 LEU 97 4.574 6.577 5.735 782 HB3 LEU 97 HB3 LEU 97 3.045 5.807 6.111 783 HG LEU 97 HG LEU 97 2.002 7.800 4.796 784 HD11 LEU 97 HD11 LEU 97 4.022 9.125 4.571 785 HD12 LEU 97 HD12 LEU 97 3.448 8.616 2.984 786 HD13 LEU 97 HD13 LEU 97 4.823 7.800 3.727 787 HD21 LEU 97 HD21 LEU 97 2.181 6.525 2.724 788 HD22 LEU 97 HD22 LEU 97 1.912 5.462 4.106 789 HD23 LEU 97 HD23 LEU 97 3.523 5.601 3.402 790 H LEU 98 H LEU 98 5.552 6.373 7.204 791 HA LEU 98 HA LEU 98 5.539 5.000 9.457 792 HB2 LEU 98 HB2 LEU 98 7.857 6.600 8.389 793 HB3 LEU 98 HB3 LEU 98 8.025 5.434 9.687 794 HG LEU 98 HG LEU 98 7.029 4.767 6.918 795 HD11 LEU 98 HD11 LEU 98 9.742 4.363 8.167 796 HD12 LEU 98 HD12 LEU 98 9.354 5.456 6.839 797 HD13 LEU 98 HD13 LEU 98 9.222 3.713 6.613 798 HD21 LEU 98 HD21 LEU 98 7.839 3.018 9.240 799 HD22 LEU 98 HD22 LEU 98 7.381 2.454 7.632 800 HD23 LEU 98 HD23 LEU 98 6.195 3.268 8.651 801 H ASN 99 H ASN 99 5.522 5.251 11.605 802 HA ASN 99 HA ASN 99 5.434 6.211 13.660 803 HB2 ASN 99 HB2 ASN 99 7.234 8.296 12.406 804 HB3 ASN 99 HB3 ASN 99 6.937 8.111 14.131 805 HD21 ASN 99 HD21 ASN 99 8.477 6.768 11.323 806 HD22 ASN 99 HD22 ASN 99 9.501 5.659 12.165 807 H VAL 100 H VAL 100 3.476 6.912 14.179 808 HA VAL 100 HA VAL 100 2.683 9.606 13.303 809 HB VAL 100 HB VAL 100 0.342 8.848 13.112 810 HG11 VAL 100 HG11 VAL 100 2.278 7.355 11.346 811 HG12 VAL 100 HG12 VAL 100 1.719 9.012 11.113 812 HG13 VAL 100 HG13 VAL 100 0.583 7.670 10.977 813 HG21 VAL 100 HG21 VAL 100 0.448 6.909 14.581 814 HG22 VAL 100 HG22 VAL 100 1.513 6.086 13.442 815 HG23 VAL 100 HG23 VAL 100 -0.152 6.448 12.989 816 H GLY 101 H GLY 101 2.942 7.262 15.783 817 HA2 GLY 101 HA2 GLY 101 2.886 8.586 17.994 818 HA3 GLY 101 HA3 GLY 101 1.189 8.786 17.588 819 H ILE 102 H ILE 102 3.676 6.381 18.303 820 HA ILE 102 HA ILE 102 1.578 4.413 18.894 821 HB ILE 102 HB ILE 102 3.570 2.818 19.107 822 HG12 ILE 102 HG12 ILE 102 5.518 3.545 17.635 823 HG13 ILE 102 HG13 ILE 102 4.894 5.185 17.773 824 HG21 ILE 102 HG21 ILE 102 2.894 4.027 16.431 825 HG22 ILE 102 HG22 ILE 102 2.000 2.754 17.261 826 HG23 ILE 102 HG23 ILE 102 3.639 2.449 16.685 827 HD11 ILE 102 HD11 ILE 102 6.721 4.730 19.336 828 HD12 ILE 102 HD12 ILE 102 5.753 3.457 20.082 829 HD13 ILE 102 HD13 ILE 102 5.220 5.137 20.167 830 H GLY 103 H GLY 103 2.309 2.887 20.784 831 HA2 GLY 103 HA2 GLY 103 3.930 3.481 22.877 832 HA3 GLY 103 HA3 GLY 103 2.577 4.579 23.103 Start of MODEL 18 1 H GLY 1 H GLY 1 8.853 7.394 -13.940 2 HA2 GLY 1 HA2 GLY 1 9.716 6.810 -16.110 3 HA3 GLY 1 HA3 GLY 1 9.810 5.455 -14.997 4 H SER 2 H SER 2 7.565 4.185 -15.006 5 HA SER 2 HA SER 2 6.590 3.909 -17.755 6 HB2 SER 2 HB2 SER 2 7.649 1.622 -16.077 7 HB3 SER 2 HB3 SER 2 6.840 1.451 -17.634 8 HG SER 2 HG SER 2 8.547 2.372 -18.636 9 H TYR 3 H TYR 3 6.162 3.476 -14.336 10 HA TYR 3 HA TYR 3 3.274 3.224 -14.774 11 HB2 TYR 3 HB2 TYR 3 4.192 0.959 -14.345 12 HB3 TYR 3 HB3 TYR 3 4.838 1.533 -12.812 13 HD1 TYR 3 HD1 TYR 3 1.691 0.955 -14.681 14 HD2 TYR 3 HD2 TYR 3 3.486 1.601 -10.880 15 HE1 TYR 3 HE1 TYR 3 -0.440 0.399 -13.587 16 HE2 TYR 3 HE2 TYR 3 1.360 1.047 -9.775 17 HH TYR 3 HH TYR 3 -1.234 -0.407 -11.405 18 H TRP 4 H TRP 4 2.469 5.019 -13.896 19 HA TRP 4 HA TRP 4 3.107 5.608 -11.104 20 HB2 TRP 4 HB2 TRP 4 4.616 7.011 -12.469 21 HB3 TRP 4 HB3 TRP 4 3.218 7.690 -13.296 22 HD1 TRP 4 HD1 TRP 4 1.647 9.372 -11.866 23 HE1 TRP 4 HE1 TRP 4 2.166 10.817 -9.800 24 HE3 TRP 4 HE3 TRP 4 5.960 7.089 -10.338 25 HZ2 TRP 4 HZ2 TRP 4 4.141 10.968 -7.789 26 HZ3 TRP 4 HZ3 TRP 4 7.101 7.945 -8.334 27 HH2 TRP 4 HH2 TRP 4 6.210 9.845 -7.087 28 HA PRO 5 HA PRO 5 -1.437 5.771 -11.698 29 HB2 PRO 5 HB2 PRO 5 -1.361 5.481 -8.762 30 HB3 PRO 5 HB3 PRO 5 -2.219 4.513 -9.964 31 HG2 PRO 5 HG2 PRO 5 -0.074 3.557 -8.676 32 HG3 PRO 5 HG3 PRO 5 -0.389 3.161 -10.376 33 HD2 PRO 5 HD2 PRO 5 1.538 5.138 -9.216 34 HD3 PRO 5 HD3 PRO 5 1.755 4.019 -10.578 35 H ALA 6 H ALA 6 -3.105 7.128 -10.476 36 HA ALA 6 HA ALA 6 -2.330 9.772 -10.344 37 HB1 ALA 6 HB1 ALA 6 -4.758 8.550 -9.034 38 HB2 ALA 6 HB2 ALA 6 -4.636 9.017 -10.731 39 HB3 ALA 6 HB3 ALA 6 -4.544 10.247 -9.469 40 H ARG 7 H ARG 7 -3.631 10.745 -7.968 41 HA ARG 7 HA ARG 7 -1.507 10.217 -6.047 42 HB2 ARG 7 HB2 ARG 7 -3.621 12.376 -6.125 43 HB3 ARG 7 HB3 ARG 7 -2.345 12.260 -4.920 44 HG2 ARG 7 HG2 ARG 7 -0.667 12.517 -6.690 45 HG3 ARG 7 HG3 ARG 7 -1.962 12.673 -7.879 46 HD2 ARG 7 HD2 ARG 7 -2.781 14.666 -6.732 47 HD3 ARG 7 HD3 ARG 7 -1.509 14.501 -5.521 48 HE ARG 7 HE ARG 7 -0.404 14.642 -8.127 49 HH11 ARG 7 HH11 ARG 7 -1.873 16.602 -5.649 50 HH12 ARG 7 HH12 ARG 7 -1.070 18.055 -6.142 51 HH21 ARG 7 HH21 ARG 7 0.660 16.550 -8.781 52 HH22 ARG 7 HH22 ARG 7 0.370 18.026 -7.921 53 H HIS 8 H HIS 8 -4.539 9.033 -6.592 54 HA HIS 8 HA HIS 8 -4.752 8.109 -3.824 55 HB2 HIS 8 HB2 HIS 8 -7.072 9.364 -5.315 56 HB3 HIS 8 HB3 HIS 8 -7.151 8.619 -3.722 57 HD1 HIS 8 HD1 HIS 8 -6.210 9.972 -1.733 58 HD2 HIS 8 HD2 HIS 8 -5.973 11.936 -5.387 59 HE1 HIS 8 HE1 HIS 8 -5.669 12.364 -1.177 60 HE2 HIS 8 HE2 HIS 8 -5.605 13.550 -3.399 61 H SER 9 H SER 9 -4.513 7.313 -6.938 62 HA SER 9 HA SER 9 -6.538 5.548 -7.577 63 HB2 SER 9 HB2 SER 9 -3.581 5.325 -8.179 64 HB3 SER 9 HB3 SER 9 -4.828 4.343 -8.947 65 HG SER 9 HG SER 9 -5.734 6.251 -9.776 66 H GLY 10 H GLY 10 -6.779 3.275 -7.368 67 HA2 GLY 10 HA2 GLY 10 -6.470 2.202 -4.877 68 HA3 GLY 10 HA3 GLY 10 -6.646 1.225 -6.327 69 H ALA 11 H ALA 11 -4.432 1.274 -7.654 70 HA ALA 11 HA ALA 11 -2.622 -0.285 -6.250 71 HB1 ALA 11 HB1 ALA 11 -2.107 1.366 -8.719 72 HB2 ALA 11 HB2 ALA 11 -2.766 -0.272 -8.680 73 HB3 ALA 11 HB3 ALA 11 -1.111 0.027 -8.146 74 H ARG 12 H ARG 12 -2.864 3.166 -6.449 75 HA ARG 12 HA ARG 12 -0.183 3.804 -5.676 76 HB2 ARG 12 HB2 ARG 12 -2.133 5.231 -6.795 77 HB3 ARG 12 HB3 ARG 12 -2.476 5.626 -5.124 78 HG2 ARG 12 HG2 ARG 12 0.276 5.932 -6.232 79 HG3 ARG 12 HG3 ARG 12 -0.946 7.176 -6.477 80 HD2 ARG 12 HD2 ARG 12 -1.263 7.314 -4.039 81 HD3 ARG 12 HD3 ARG 12 0.016 6.119 -3.823 82 HE ARG 12 HE ARG 12 1.421 7.869 -5.080 83 HH11 ARG 12 HH11 ARG 12 -1.171 8.596 -2.869 84 HH12 ARG 12 HH12 ARG 12 -0.503 10.118 -2.384 85 HH21 ARG 12 HH21 ARG 12 2.307 9.872 -4.450 86 HH22 ARG 12 HH22 ARG 12 1.472 10.844 -3.283 87 H VAL 13 H VAL 13 -3.316 3.823 -4.057 88 HA VAL 13 HA VAL 13 -2.392 4.541 -1.522 89 HB VAL 13 HB VAL 13 -4.891 3.026 -2.275 90 HG11 VAL 13 HG11 VAL 13 -4.237 4.550 0.243 91 HG12 VAL 13 HG12 VAL 13 -4.395 2.800 0.097 92 HG13 VAL 13 HG13 VAL 13 -5.799 3.836 -0.156 93 HG21 VAL 13 HG21 VAL 13 -4.700 5.173 -3.412 94 HG22 VAL 13 HG22 VAL 13 -4.421 5.976 -1.868 95 HG23 VAL 13 HG23 VAL 13 -5.978 5.216 -2.197 96 H ILE 14 H ILE 14 -2.784 1.369 -3.039 97 HA ILE 14 HA ILE 14 -2.409 -0.080 -0.649 98 HB ILE 14 HB ILE 14 -2.222 -2.054 -1.993 99 HG12 ILE 14 HG12 ILE 14 -2.053 -0.228 -4.394 100 HG13 ILE 14 HG13 ILE 14 -0.721 -1.178 -3.747 101 HG21 ILE 14 HG21 ILE 14 -4.256 -0.126 -3.067 102 HG22 ILE 14 HG22 ILE 14 -4.437 -1.204 -1.686 103 HG23 ILE 14 HG23 ILE 14 -4.298 -1.871 -3.313 104 HD11 ILE 14 HD11 ILE 14 -3.272 -2.315 -4.862 105 HD12 ILE 14 HD12 ILE 14 -1.872 -3.227 -4.296 106 HD13 ILE 14 HD13 ILE 14 -1.739 -2.200 -5.723 107 H LEU 15 H LEU 15 -0.075 0.218 -3.388 108 HA LEU 15 HA LEU 15 1.998 -0.872 -2.059 109 HB2 LEU 15 HB2 LEU 15 2.306 1.388 -4.028 110 HB3 LEU 15 HB3 LEU 15 3.506 0.182 -3.629 111 HG LEU 15 HG LEU 15 0.871 -0.681 -4.751 112 HD11 LEU 15 HD11 LEU 15 1.821 -0.533 -7.003 113 HD12 LEU 15 HD12 LEU 15 3.229 0.304 -6.349 114 HD13 LEU 15 HD13 LEU 15 1.636 1.056 -6.263 115 HD21 LEU 15 HD21 LEU 15 3.677 -1.770 -4.929 116 HD22 LEU 15 HD22 LEU 15 2.232 -2.516 -5.610 117 HD23 LEU 15 HD23 LEU 15 2.403 -2.360 -3.862 118 H LEU 16 H LEU 16 0.823 2.373 -1.588 119 HA LEU 16 HA LEU 16 3.245 3.397 -0.412 120 HB2 LEU 16 HB2 LEU 16 1.712 4.908 -1.517 121 HB3 LEU 16 HB3 LEU 16 0.397 4.381 -0.486 122 HG LEU 16 HG LEU 16 1.590 5.310 1.458 123 HD11 LEU 16 HD11 LEU 16 3.463 6.426 -0.619 124 HD12 LEU 16 HD12 LEU 16 3.858 5.186 0.571 125 HD13 LEU 16 HD13 LEU 16 3.468 6.824 1.099 126 HD21 LEU 16 HD21 LEU 16 1.041 7.232 -0.792 127 HD22 LEU 16 HD22 LEU 16 1.135 7.656 0.918 128 HD23 LEU 16 HD23 LEU 16 -0.141 6.583 0.342 129 H VAL 17 H VAL 17 0.097 2.232 0.635 130 HA VAL 17 HA VAL 17 0.551 2.578 3.392 131 HB VAL 17 HB VAL 17 -1.640 2.334 2.135 132 HG11 VAL 17 HG11 VAL 17 -0.947 -0.563 2.443 133 HG12 VAL 17 HG12 VAL 17 -1.363 0.313 0.967 134 HG13 VAL 17 HG13 VAL 17 -2.590 0.025 2.203 135 HG21 VAL 17 HG21 VAL 17 -2.791 1.534 4.090 136 HG22 VAL 17 HG22 VAL 17 -1.403 2.504 4.588 137 HG23 VAL 17 HG23 VAL 17 -1.327 0.742 4.670 138 H LEU 18 H LEU 18 0.805 -0.304 1.295 139 HA LEU 18 HA LEU 18 1.660 -2.077 3.226 140 HB2 LEU 18 HB2 LEU 18 2.080 -1.861 0.275 141 HB3 LEU 18 HB3 LEU 18 3.013 -3.054 1.157 142 HG LEU 18 HG LEU 18 0.880 -3.832 0.056 143 HD11 LEU 18 HD11 LEU 18 0.335 -5.334 1.910 144 HD12 LEU 18 HD12 LEU 18 1.243 -4.296 3.009 145 HD13 LEU 18 HD13 LEU 18 2.077 -5.150 1.711 146 HD21 LEU 18 HD21 LEU 18 -0.606 -2.043 0.654 147 HD22 LEU 18 HD22 LEU 18 -0.335 -2.341 2.369 148 HD23 LEU 18 HD23 LEU 18 -1.177 -3.540 1.386 149 H TYR 19 H TYR 19 3.280 0.539 1.709 150 HA TYR 19 HA TYR 19 5.979 -0.255 2.008 151 HB2 TYR 19 HB2 TYR 19 5.371 1.590 0.566 152 HB3 TYR 19 HB3 TYR 19 4.749 2.498 1.936 153 HD1 TYR 19 HD1 TYR 19 7.848 1.138 0.431 154 HD2 TYR 19 HD2 TYR 19 6.170 3.840 3.255 155 HE1 TYR 19 HE1 TYR 19 10.058 2.167 0.753 156 HE2 TYR 19 HE2 TYR 19 8.375 4.876 3.584 157 HH TYR 19 HH TYR 19 10.747 4.285 3.307 158 H ARG 20 H ARG 20 4.260 2.192 4.005 159 HA ARG 20 HA ARG 20 6.070 2.297 6.007 160 HB2 ARG 20 HB2 ARG 20 4.048 3.725 5.811 161 HB3 ARG 20 HB3 ARG 20 3.065 2.390 6.390 162 HG2 ARG 20 HG2 ARG 20 5.329 3.383 8.053 163 HG3 ARG 20 HG3 ARG 20 3.810 4.277 8.014 164 HD2 ARG 20 HD2 ARG 20 2.646 2.150 8.630 165 HD3 ARG 20 HD3 ARG 20 4.231 1.411 8.847 166 HE ARG 20 HE ARG 20 3.390 3.769 10.400 167 HH11 ARG 20 HH11 ARG 20 4.710 0.550 10.204 168 HH12 ARG 20 HH12 ARG 20 5.081 0.462 11.893 169 HH21 ARG 20 HH21 ARG 20 3.875 3.660 12.624 170 HH22 ARG 20 HH22 ARG 20 4.607 2.228 13.268 171 H GLU 21 H GLU 21 3.136 0.325 6.445 172 HA GLU 21 HA GLU 21 3.933 -1.168 8.433 173 HB2 GLU 21 HB2 GLU 21 1.764 -1.334 6.977 174 HB3 GLU 21 HB3 GLU 21 2.597 -2.692 6.230 175 HG2 GLU 21 HG2 GLU 21 1.948 -2.396 9.151 176 HG3 GLU 21 HG3 GLU 21 1.128 -3.445 8.000 177 H HIS 22 H HIS 22 5.355 -1.412 5.325 178 HA HIS 22 HA HIS 22 6.363 -4.128 5.693 179 HB2 HIS 22 HB2 HIS 22 5.950 -3.579 3.419 180 HB3 HIS 22 HB3 HIS 22 6.808 -2.049 3.550 181 HD1 HIS 22 HD1 HIS 22 7.285 -5.616 2.782 182 HD2 HIS 22 HD2 HIS 22 9.673 -2.333 3.669 183 HE1 HIS 22 HE1 HIS 22 9.614 -6.269 2.090 184 HE2 HIS 22 HE2 HIS 22 11.029 -4.243 2.574 185 H LEU 23 H LEU 23 7.436 -0.773 5.772 186 HA LEU 23 HA LEU 23 10.014 -1.397 6.681 187 HB2 LEU 23 HB2 LEU 23 8.386 1.108 6.513 188 HB3 LEU 23 HB3 LEU 23 9.929 1.126 7.345 189 HG LEU 23 HG LEU 23 10.932 0.192 5.224 190 HD11 LEU 23 HD11 LEU 23 8.832 -0.566 4.204 191 HD12 LEU 23 HD12 LEU 23 9.750 0.511 3.153 192 HD13 LEU 23 HD13 LEU 23 8.341 1.118 4.021 193 HD21 LEU 23 HD21 LEU 23 11.223 2.504 5.916 194 HD22 LEU 23 HD22 LEU 23 9.703 2.935 5.133 195 HD23 LEU 23 HD23 LEU 23 11.071 2.385 4.164 196 H ASN 24 H ASN 24 7.279 -1.930 8.296 197 HA ASN 24 HA ASN 24 7.464 -0.789 10.770 198 HB2 ASN 24 HB2 ASN 24 6.260 -3.211 9.699 199 HB3 ASN 24 HB3 ASN 24 6.760 -3.405 11.377 200 HD21 ASN 24 HD21 ASN 24 5.979 -1.863 12.923 201 HD22 ASN 24 HD22 ASN 24 4.456 -1.095 12.665 202 HA PRO 25 HA PRO 25 11.577 -2.249 12.029 203 HB2 PRO 25 HB2 PRO 25 10.811 -0.710 14.443 204 HB3 PRO 25 HB3 PRO 25 12.268 -0.600 13.458 205 HG2 PRO 25 HG2 PRO 25 10.393 1.296 13.351 206 HG3 PRO 25 HG3 PRO 25 11.266 0.786 11.893 207 HD2 PRO 25 HD2 PRO 25 8.497 0.083 12.787 208 HD3 PRO 25 HD3 PRO 25 9.103 0.432 11.157 209 H ASN 26 H ASN 26 8.779 -2.012 14.187 210 HA ASN 26 HA ASN 26 9.491 -4.622 15.302 211 HB2 ASN 26 HB2 ASN 26 10.045 -2.782 16.926 212 HB3 ASN 26 HB3 ASN 26 8.337 -2.356 16.943 213 HD21 ASN 26 HD21 ASN 26 10.705 -4.747 17.833 214 HD22 ASN 26 HD22 ASN 26 9.713 -5.599 18.963 215 H GLY 27 H GLY 27 7.805 -4.452 13.206 216 HA2 GLY 27 HA2 GLY 27 5.159 -4.761 14.389 217 HA3 GLY 27 HA3 GLY 27 5.285 -3.735 12.966 218 H HIS 28 H HIS 28 5.327 -4.651 10.996 219 HA HIS 28 HA HIS 28 5.753 -7.511 10.755 220 HB2 HIS 28 HB2 HIS 28 3.277 -6.309 9.520 221 HB3 HIS 28 HB3 HIS 28 3.694 -8.010 9.691 222 HD1 HIS 28 HD1 HIS 28 2.442 -5.074 11.685 223 HD2 HIS 28 HD2 HIS 28 2.914 -9.181 12.067 224 HE1 HIS 28 HE1 HIS 28 1.220 -5.696 13.792 225 HE2 HIS 28 HE2 HIS 28 1.445 -8.200 13.956 226 H HIS 29 H HIS 29 4.948 -7.785 8.117 227 HA HIS 29 HA HIS 29 6.252 -5.647 6.607 228 HB2 HIS 29 HB2 HIS 29 7.038 -8.568 6.395 229 HB3 HIS 29 HB3 HIS 29 7.640 -7.270 5.370 230 HD1 HIS 29 HD1 HIS 29 7.992 -8.743 8.782 231 HD2 HIS 29 HD2 HIS 29 9.583 -5.621 6.548 232 HE1 HIS 29 HE1 HIS 29 10.001 -7.951 10.070 233 HE2 HIS 29 HE2 HIS 29 10.994 -6.116 8.659 234 H PHE 30 H PHE 30 3.552 -6.787 7.015 235 HA PHE 30 HA PHE 30 2.631 -6.666 4.323 236 HB2 PHE 30 HB2 PHE 30 1.675 -8.945 4.219 237 HB3 PHE 30 HB3 PHE 30 3.433 -8.978 4.275 238 HD1 PHE 30 HD1 PHE 30 0.384 -9.412 6.331 239 HD2 PHE 30 HD2 PHE 30 4.563 -10.137 5.977 240 HE1 PHE 30 HE1 PHE 30 0.281 -10.918 8.270 241 HE2 PHE 30 HE2 PHE 30 4.466 -11.648 7.918 242 HZ PHE 30 HZ PHE 30 2.320 -12.039 9.066 243 H LEU 31 H LEU 31 0.197 -7.191 4.264 244 HA LEU 31 HA LEU 31 -1.146 -7.102 6.849 245 HB2 LEU 31 HB2 LEU 31 -1.212 -4.965 4.744 246 HB3 LEU 31 HB3 LEU 31 -2.542 -5.182 5.860 247 HG LEU 31 HG LEU 31 0.306 -4.546 6.626 248 HD11 LEU 31 HD11 LEU 31 -0.595 -2.373 7.285 249 HD12 LEU 31 HD12 LEU 31 -2.176 -2.841 6.663 250 HD13 LEU 31 HD13 LEU 31 -0.812 -2.668 5.560 251 HD21 LEU 31 HD21 LEU 31 -0.620 -4.221 8.884 252 HD22 LEU 31 HD22 LEU 31 -0.768 -5.890 8.332 253 HD23 LEU 31 HD23 LEU 31 -2.177 -4.827 8.316 254 H THR 32 H THR 32 -3.448 -7.453 6.703 255 HA THR 32 HA THR 32 -4.125 -9.171 4.435 256 HB THR 32 HB THR 32 -5.970 -9.992 5.820 257 HG1 THR 32 HG1 THR 32 -6.659 -8.671 7.321 258 HG21 THR 32 HG21 THR 32 -3.343 -9.902 7.313 259 HG22 THR 32 HG22 THR 32 -3.782 -11.059 6.058 260 HG23 THR 32 HG23 THR 32 -4.647 -11.056 7.594 261 H LYS 33 H LYS 33 -5.903 -8.772 3.108 262 HA LYS 33 HA LYS 33 -6.822 -6.454 2.489 263 HB2 LYS 33 HB2 LYS 33 -7.656 -9.001 1.893 264 HB3 LYS 33 HB3 LYS 33 -9.121 -8.267 2.526 265 HG2 LYS 33 HG2 LYS 33 -7.453 -7.128 0.291 266 HG3 LYS 33 HG3 LYS 33 -8.927 -8.075 0.081 267 HD2 LYS 33 HD2 LYS 33 -10.187 -6.378 1.321 268 HD3 LYS 33 HD3 LYS 33 -8.712 -5.433 1.526 269 HE2 LYS 33 HE2 LYS 33 -8.531 -5.156 -0.883 270 HE3 LYS 33 HE3 LYS 33 -9.961 -6.158 -1.122 271 HZ1 LYS 33 HZ1 LYS 33 -10.509 -3.821 -1.267 272 HZ2 LYS 33 HZ2 LYS 33 -9.887 -3.542 0.281 273 HZ3 LYS 33 HZ3 LYS 33 -11.262 -4.507 0.084 274 H GLU 34 H GLU 34 -7.865 -8.045 5.391 275 HA GLU 34 HA GLU 34 -10.068 -6.290 5.881 276 HB2 GLU 34 HB2 GLU 34 -8.565 -8.122 7.761 277 HB3 GLU 34 HB3 GLU 34 -10.087 -7.323 8.124 278 HG2 GLU 34 HG2 GLU 34 -9.642 -9.359 5.954 279 HG3 GLU 34 HG3 GLU 34 -10.419 -9.653 7.509 280 H GLU 35 H GLU 35 -6.680 -6.369 6.883 281 HA GLU 35 HA GLU 35 -7.034 -4.229 8.825 282 HB2 GLU 35 HB2 GLU 35 -4.508 -5.513 7.760 283 HB3 GLU 35 HB3 GLU 35 -4.593 -4.359 9.084 284 HG2 GLU 35 HG2 GLU 35 -5.913 -5.946 10.388 285 HG3 GLU 35 HG3 GLU 35 -5.828 -7.104 9.061 286 H LEU 36 H LEU 36 -6.277 -4.706 5.516 287 HA LEU 36 HA LEU 36 -4.725 -2.377 4.987 288 HB2 LEU 36 HB2 LEU 36 -6.421 -4.158 3.250 289 HB3 LEU 36 HB3 LEU 36 -5.465 -2.827 2.641 290 HG LEU 36 HG LEU 36 -4.272 -5.096 4.182 291 HD11 LEU 36 HD11 LEU 36 -4.867 -4.872 1.268 292 HD12 LEU 36 HD12 LEU 36 -5.059 -6.251 2.347 293 HD13 LEU 36 HD13 LEU 36 -3.451 -5.762 1.819 294 HD21 LEU 36 HD21 LEU 36 -2.191 -4.330 3.148 295 HD22 LEU 36 HD22 LEU 36 -2.944 -3.066 4.120 296 HD23 LEU 36 HD23 LEU 36 -3.073 -3.022 2.361 297 H LEU 37 H LEU 37 -8.138 -3.194 4.551 298 HA LEU 37 HA LEU 37 -9.090 -0.858 3.454 299 HB2 LEU 37 HB2 LEU 37 -10.367 -2.744 5.429 300 HB3 LEU 37 HB3 LEU 37 -11.244 -1.431 4.673 301 HG LEU 37 HG LEU 37 -9.927 -3.702 3.184 302 HD11 LEU 37 HD11 LEU 37 -12.835 -3.211 3.809 303 HD12 LEU 37 HD12 LEU 37 -11.823 -4.472 4.514 304 HD13 LEU 37 HD13 LEU 37 -12.198 -4.503 2.790 305 HD21 LEU 37 HD21 LEU 37 -10.033 -1.677 1.858 306 HD22 LEU 37 HD22 LEU 37 -11.739 -1.479 2.255 307 HD23 LEU 37 HD23 LEU 37 -11.216 -2.846 1.272 308 H GLN 38 H GLN 38 -8.053 -1.440 6.723 309 HA GLN 38 HA GLN 38 -9.389 0.913 7.810 310 HB2 GLN 38 HB2 GLN 38 -9.119 -1.048 9.266 311 HB3 GLN 38 HB3 GLN 38 -7.375 -0.972 9.053 312 HG2 GLN 38 HG2 GLN 38 -7.331 1.204 10.154 313 HG3 GLN 38 HG3 GLN 38 -9.081 1.134 10.363 314 HE21 GLN 38 HE21 GLN 38 -9.957 -0.289 11.867 315 HE22 GLN 38 HE22 GLN 38 -9.002 -1.018 13.107 316 H ARG 39 H ARG 39 -6.174 -0.259 7.002 317 HA ARG 39 HA ARG 39 -4.637 1.899 7.627 318 HB2 ARG 39 HB2 ARG 39 -4.331 0.148 5.190 319 HB3 ARG 39 HB3 ARG 39 -3.062 1.094 5.956 320 HG2 ARG 39 HG2 ARG 39 -4.548 -1.014 7.445 321 HG3 ARG 39 HG3 ARG 39 -3.160 -1.402 6.433 322 HD2 ARG 39 HD2 ARG 39 -1.731 -0.002 7.730 323 HD3 ARG 39 HD3 ARG 39 -3.098 0.658 8.623 324 HE ARG 39 HE ARG 39 -3.049 -2.111 9.011 325 HH11 ARG 39 HH11 ARG 39 -1.152 0.704 9.796 326 HH12 ARG 39 HH12 ARG 39 -0.514 0.026 11.256 327 HH21 ARG 39 HH21 ARG 39 -2.215 -3.012 10.932 328 HH22 ARG 39 HH22 ARG 39 -1.117 -2.087 11.902 329 H CYS 40 H CYS 40 -6.220 1.315 4.507 330 HA CYS 40 HA CYS 40 -5.253 3.563 3.141 331 HB2 CYS 40 HB2 CYS 40 -7.016 3.208 1.556 332 HB3 CYS 40 HB3 CYS 40 -6.462 1.630 2.104 333 HG CYS 40 HG CYS 40 -8.819 0.788 2.616 334 H ALA 41 H ALA 41 -8.004 3.191 5.305 335 HA ALA 41 HA ALA 41 -9.217 5.609 4.947 336 HB1 ALA 41 HB1 ALA 41 -10.109 3.821 6.363 337 HB2 ALA 41 HB2 ALA 41 -10.129 5.380 7.186 338 HB3 ALA 41 HB3 ALA 41 -8.892 4.188 7.586 339 H GLN 42 H GLN 42 -6.060 5.663 5.409 340 HA GLN 42 HA GLN 42 -6.074 7.747 7.436 341 HB2 GLN 42 HB2 GLN 42 -3.954 5.674 6.914 342 HB3 GLN 42 HB3 GLN 42 -3.540 7.243 7.589 343 HG2 GLN 42 HG2 GLN 42 -3.772 5.659 9.366 344 HG3 GLN 42 HG3 GLN 42 -5.098 6.814 9.452 345 HE21 GLN 42 HE21 GLN 42 -7.186 6.139 8.965 346 HE22 GLN 42 HE22 GLN 42 -7.618 4.467 8.900 347 H LYS 43 H LYS 43 -4.889 6.418 4.421 348 HA LYS 43 HA LYS 43 -3.263 8.438 3.462 349 HB2 LYS 43 HB2 LYS 43 -3.645 6.258 2.362 350 HB3 LYS 43 HB3 LYS 43 -5.238 6.814 1.863 351 HG2 LYS 43 HG2 LYS 43 -4.420 8.119 0.218 352 HG3 LYS 43 HG3 LYS 43 -2.969 8.549 1.132 353 HD2 LYS 43 HD2 LYS 43 -2.110 6.272 0.745 354 HD3 LYS 43 HD3 LYS 43 -3.513 5.946 -0.272 355 HE2 LYS 43 HE2 LYS 43 -1.394 8.028 -0.757 356 HE3 LYS 43 HE3 LYS 43 -1.604 6.516 -1.641 357 HZ1 LYS 43 HZ1 LYS 43 -2.533 8.372 -2.862 358 HZ2 LYS 43 HZ2 LYS 43 -3.542 8.767 -1.563 359 HZ3 LYS 43 HZ3 LYS 43 -3.765 7.312 -2.395 360 H SER 44 H SER 44 -3.851 10.550 3.714 361 HA SER 44 HA SER 44 -4.922 12.517 3.312 362 HB2 SER 44 HB2 SER 44 -6.044 10.896 1.019 363 HB3 SER 44 HB3 SER 44 -6.362 12.619 1.231 364 HG SER 44 HG SER 44 -4.330 13.075 0.721 365 HA PRO 45 HA PRO 45 -8.413 11.068 5.992 366 HB2 PRO 45 HB2 PRO 45 -8.118 13.963 6.668 367 HB3 PRO 45 HB3 PRO 45 -8.370 12.578 7.737 368 HG2 PRO 45 HG2 PRO 45 -5.966 13.695 7.518 369 HG3 PRO 45 HG3 PRO 45 -6.142 11.935 7.650 370 HD2 PRO 45 HD2 PRO 45 -5.493 13.603 5.267 371 HD3 PRO 45 HD3 PRO 45 -4.949 11.966 5.685 372 H ARG 46 H ARG 46 -10.312 10.916 4.990 373 HA ARG 46 HA ARG 46 -12.129 11.379 3.702 374 HB2 ARG 46 HB2 ARG 46 -11.641 14.156 4.796 375 HB3 ARG 46 HB3 ARG 46 -13.133 13.610 4.042 376 HG2 ARG 46 HG2 ARG 46 -13.431 11.963 5.824 377 HG3 ARG 46 HG3 ARG 46 -11.937 12.520 6.583 378 HD2 ARG 46 HD2 ARG 46 -13.892 13.506 7.659 379 HD3 ARG 46 HD3 ARG 46 -12.906 14.741 6.875 380 HE ARG 46 HE ARG 46 -14.896 13.908 5.087 381 HH11 ARG 46 HH11 ARG 46 -14.569 15.644 8.090 382 HH12 ARG 46 HH12 ARG 46 -15.974 16.621 7.828 383 HH21 ARG 46 HH21 ARG 46 -16.749 15.190 4.733 384 HH22 ARG 46 HH22 ARG 46 -17.213 16.362 5.920 385 H VAL 47 H VAL 47 -11.337 10.989 1.655 386 HA VAL 47 HA VAL 47 -9.947 13.067 0.199 387 HB VAL 47 HB VAL 47 -9.965 11.457 -1.686 388 HG11 VAL 47 HG11 VAL 47 -8.128 11.444 -0.089 389 HG12 VAL 47 HG12 VAL 47 -8.474 9.807 -0.645 390 HG13 VAL 47 HG13 VAL 47 -9.017 10.330 0.950 391 HG21 VAL 47 HG21 VAL 47 -11.406 9.663 0.268 392 HG22 VAL 47 HG22 VAL 47 -10.762 9.167 -1.297 393 HG23 VAL 47 HG23 VAL 47 -12.076 10.340 -1.217 394 H ALA 48 H ALA 48 -13.103 11.442 0.025 395 HA ALA 48 HA ALA 48 -14.331 13.879 -0.951 396 HB1 ALA 48 HB1 ALA 48 -13.385 12.901 -2.986 397 HB2 ALA 48 HB2 ALA 48 -15.148 12.875 -3.019 398 HB3 ALA 48 HB3 ALA 48 -14.251 11.398 -2.666 399 HA PRO 49 HA PRO 49 -17.910 12.442 1.178 400 HB2 PRO 49 HB2 PRO 49 -19.476 13.107 -1.265 401 HB3 PRO 49 HB3 PRO 49 -19.706 13.647 0.402 402 HG2 PRO 49 HG2 PRO 49 -18.675 15.286 -1.425 403 HG3 PRO 49 HG3 PRO 49 -18.065 15.278 0.241 404 HD2 PRO 49 HD2 PRO 49 -16.859 14.104 -2.228 405 HD3 PRO 49 HD3 PRO 49 -16.067 14.900 -0.853 406 H GLY 50 H GLY 50 -17.459 11.384 -2.155 407 HA2 GLY 50 HA2 GLY 50 -18.299 8.692 -1.350 408 HA3 GLY 50 HA3 GLY 50 -19.147 9.463 -2.682 409 H SER 51 H SER 51 -16.032 8.234 -1.599 410 HA SER 51 HA SER 51 -15.402 7.478 -4.330 411 HB2 SER 51 HB2 SER 51 -13.605 9.309 -2.723 412 HB3 SER 51 HB3 SER 51 -13.137 8.508 -4.223 413 HG SER 51 HG SER 51 -14.957 9.621 -5.198 414 H ALA 52 H ALA 52 -14.652 5.473 -4.303 415 HA ALA 52 HA ALA 52 -12.970 4.591 -2.074 416 HB1 ALA 52 HB1 ALA 52 -15.355 3.041 -3.075 417 HB2 ALA 52 HB2 ALA 52 -15.252 3.892 -1.533 418 HB3 ALA 52 HB3 ALA 52 -14.207 2.505 -1.848 419 HA PRO 53 HA PRO 53 -10.863 3.518 -6.006 420 HB2 PRO 53 HB2 PRO 53 -8.739 2.931 -4.009 421 HB3 PRO 53 HB3 PRO 53 -8.647 3.858 -5.511 422 HG2 PRO 53 HG2 PRO 53 -8.657 5.092 -3.152 423 HG3 PRO 53 HG3 PRO 53 -9.528 5.770 -4.540 424 HD2 PRO 53 HD2 PRO 53 -10.594 4.302 -2.164 425 HD3 PRO 53 HD3 PRO 53 -11.283 5.686 -3.037 426 HA PRO 54 HA PRO 54 -11.654 -0.860 -5.569 427 HB2 PRO 54 HB2 PRO 54 -10.205 -1.167 -8.104 428 HB3 PRO 54 HB3 PRO 54 -11.897 -1.503 -7.735 429 HG2 PRO 54 HG2 PRO 54 -11.160 0.569 -9.285 430 HG3 PRO 54 HG3 PRO 54 -12.569 0.646 -8.212 431 HD2 PRO 54 HD2 PRO 54 -9.822 1.775 -7.820 432 HD3 PRO 54 HD3 PRO 54 -11.402 2.495 -7.444 433 H TRP 55 H TRP 55 -10.511 -2.237 -4.370 434 HA TRP 55 HA TRP 55 -7.619 -2.152 -4.484 435 HB2 TRP 55 HB2 TRP 55 -9.610 -3.135 -2.510 436 HB3 TRP 55 HB3 TRP 55 -8.004 -3.863 -2.497 437 HD1 TRP 55 HD1 TRP 55 -9.254 -0.198 -2.786 438 HE1 TRP 55 HE1 TRP 55 -7.848 1.248 -1.191 439 HE3 TRP 55 HE3 TRP 55 -6.262 -3.849 -0.775 440 HZ2 TRP 55 HZ2 TRP 55 -5.751 0.891 0.656 441 HZ3 TRP 55 HZ3 TRP 55 -4.599 -3.191 0.892 442 HH2 TRP 55 HH2 TRP 55 -4.361 -0.883 1.608 443 HA PRO 56 HA PRO 56 -8.915 -6.851 -5.646 444 HB2 PRO 56 HB2 PRO 56 -10.265 -5.766 -8.084 445 HB3 PRO 56 HB3 PRO 56 -10.588 -7.257 -7.189 446 HG2 PRO 56 HG2 PRO 56 -12.181 -5.149 -6.909 447 HG3 PRO 56 HG3 PRO 56 -11.754 -6.155 -5.513 448 HD2 PRO 56 HD2 PRO 56 -10.777 -3.444 -6.268 449 HD3 PRO 56 HD3 PRO 56 -11.035 -4.146 -4.658 450 H ALA 57 H ALA 57 -7.876 -3.965 -7.211 451 HA ALA 57 HA ALA 57 -6.512 -4.927 -9.413 452 HB1 ALA 57 HB1 ALA 57 -5.167 -2.902 -9.292 453 HB2 ALA 57 HB2 ALA 57 -5.697 -2.635 -7.631 454 HB3 ALA 57 HB3 ALA 57 -6.861 -2.549 -8.954 455 H LEU 58 H LEU 58 -5.873 -5.559 -6.145 456 HA LEU 58 HA LEU 58 -3.088 -5.643 -5.969 457 HB2 LEU 58 HB2 LEU 58 -5.345 -6.930 -4.582 458 HB3 LEU 58 HB3 LEU 58 -3.834 -7.814 -4.506 459 HG LEU 58 HG LEU 58 -4.091 -6.395 -2.552 460 HD11 LEU 58 HD11 LEU 58 -1.970 -5.340 -4.415 461 HD12 LEU 58 HD12 LEU 58 -1.841 -6.793 -3.424 462 HD13 LEU 58 HD13 LEU 58 -1.972 -5.211 -2.656 463 HD21 LEU 58 HD21 LEU 58 -5.526 -4.677 -3.452 464 HD22 LEU 58 HD22 LEU 58 -4.244 -4.127 -4.531 465 HD23 LEU 58 HD23 LEU 58 -4.069 -3.940 -2.787 466 H ARG 59 H ARG 59 -5.364 -8.159 -7.034 467 HA ARG 59 HA ARG 59 -3.561 -10.160 -7.620 468 HB2 ARG 59 HB2 ARG 59 -6.075 -9.448 -9.144 469 HB3 ARG 59 HB3 ARG 59 -5.233 -10.989 -9.240 470 HG2 ARG 59 HG2 ARG 59 -5.694 -11.405 -6.887 471 HG3 ARG 59 HG3 ARG 59 -6.511 -9.845 -6.765 472 HD2 ARG 59 HD2 ARG 59 -8.121 -11.658 -7.014 473 HD3 ARG 59 HD3 ARG 59 -8.163 -10.578 -8.407 474 HE ARG 59 HE ARG 59 -6.408 -12.714 -8.931 475 HH11 ARG 59 HH11 ARG 59 -9.807 -12.045 -8.561 476 HH12 ARG 59 HH12 ARG 59 -10.306 -13.335 -9.604 477 HH21 ARG 59 HH21 ARG 59 -7.056 -14.416 -10.303 478 HH22 ARG 59 HH22 ARG 59 -8.743 -14.683 -10.593 479 H SER 60 H SER 60 -4.621 -7.492 -9.693 480 HA SER 60 HA SER 60 -3.029 -8.113 -11.860 481 HB2 SER 60 HB2 SER 60 -3.958 -5.375 -10.961 482 HB3 SER 60 HB3 SER 60 -3.367 -5.772 -12.574 483 HG SER 60 HG SER 60 -5.399 -6.191 -12.936 484 H LEU 61 H LEU 61 -2.213 -6.314 -8.950 485 HA LEU 61 HA LEU 61 0.276 -5.343 -9.985 486 HB2 LEU 61 HB2 LEU 61 -1.041 -5.315 -7.304 487 HB3 LEU 61 HB3 LEU 61 0.680 -4.981 -7.416 488 HG LEU 61 HG LEU 61 -0.210 -3.302 -9.313 489 HD11 LEU 61 HD11 LEU 61 -2.442 -3.462 -7.296 490 HD12 LEU 61 HD12 LEU 61 -2.546 -3.866 -9.010 491 HD13 LEU 61 HD13 LEU 61 -2.246 -2.200 -8.513 492 HD21 LEU 61 HD21 LEU 61 -0.108 -2.778 -6.349 493 HD22 LEU 61 HD22 LEU 61 -0.078 -1.539 -7.604 494 HD23 LEU 61 HD23 LEU 61 1.241 -2.703 -7.482 495 H LEU 62 H LEU 62 -0.722 -8.165 -8.132 496 HA LEU 62 HA LEU 62 1.806 -9.003 -7.173 497 HB2 LEU 62 HB2 LEU 62 -0.541 -10.673 -8.077 498 HB3 LEU 62 HB3 LEU 62 0.798 -11.244 -7.109 499 HG LEU 62 HG LEU 62 -0.980 -9.035 -6.116 500 HD11 LEU 62 HD11 LEU 62 -2.372 -10.664 -5.017 501 HD12 LEU 62 HD12 LEU 62 -1.416 -11.986 -5.685 502 HD13 LEU 62 HD13 LEU 62 -2.386 -10.975 -6.753 503 HD21 LEU 62 HD21 LEU 62 -0.227 -9.785 -3.949 504 HD22 LEU 62 HD22 LEU 62 1.172 -9.483 -4.979 505 HD23 LEU 62 HD23 LEU 62 0.638 -11.136 -4.681 506 H HIS 63 H HIS 63 0.049 -9.383 -10.175 507 HA HIS 63 HA HIS 63 1.811 -11.100 -11.488 508 HB2 HIS 63 HB2 HIS 63 -0.482 -10.638 -12.247 509 HB3 HIS 63 HB3 HIS 63 -0.020 -8.989 -12.651 510 HD1 HIS 63 HD1 HIS 63 0.121 -12.479 -13.903 511 HD2 HIS 63 HD2 HIS 63 1.585 -8.742 -14.981 512 HE1 HIS 63 HE1 HIS 63 0.928 -12.730 -16.272 513 HE2 HIS 63 HE2 HIS 63 1.734 -10.436 -16.930 514 H ARG 64 H ARG 64 1.681 -7.545 -11.391 515 HA ARG 64 HA ARG 64 3.897 -7.204 -13.100 516 HB2 ARG 64 HB2 ARG 64 2.763 -5.292 -11.049 517 HB3 ARG 64 HB3 ARG 64 3.839 -4.865 -12.372 518 HG2 ARG 64 HG2 ARG 64 2.088 -5.690 -13.952 519 HG3 ARG 64 HG3 ARG 64 1.010 -5.857 -12.566 520 HD2 ARG 64 HD2 ARG 64 1.267 -3.471 -12.084 521 HD3 ARG 64 HD3 ARG 64 2.336 -3.307 -13.477 522 HE ARG 64 HE ARG 64 -0.420 -4.249 -13.846 523 HH11 ARG 64 HH11 ARG 64 2.079 -1.888 -14.415 524 HH12 ARG 64 HH12 ARG 64 1.187 -1.051 -15.642 525 HH21 ARG 64 HH21 ARG 64 -1.600 -3.153 -15.460 526 HH22 ARG 64 HH22 ARG 64 -0.904 -1.769 -16.234 527 H ASN 65 H ASN 65 3.765 -8.446 -10.059 528 HA ASN 65 HA ASN 65 5.353 -9.064 -8.575 529 HB2 ASN 65 HB2 ASN 65 6.715 -9.175 -10.834 530 HB3 ASN 65 HB3 ASN 65 7.554 -7.790 -10.139 531 HD21 ASN 65 HD21 ASN 65 6.159 -10.352 -8.241 532 HD22 ASN 65 HD22 ASN 65 7.647 -11.023 -7.688 533 H LEU 66 H LEU 66 4.093 -6.359 -8.598 534 HA LEU 66 HA LEU 66 6.096 -4.788 -7.189 535 HB2 LEU 66 HB2 LEU 66 3.201 -4.059 -7.498 536 HB3 LEU 66 HB3 LEU 66 4.559 -2.993 -7.217 537 HG LEU 66 HG LEU 66 3.684 -4.283 -9.774 538 HD11 LEU 66 HD11 LEU 66 4.570 -1.497 -9.057 539 HD12 LEU 66 HD12 LEU 66 2.895 -2.038 -9.190 540 HD13 LEU 66 HD13 LEU 66 3.934 -2.023 -10.616 541 HD21 LEU 66 HD21 LEU 66 6.435 -3.193 -9.209 542 HD22 LEU 66 HD22 LEU 66 5.807 -3.602 -10.804 543 HD23 LEU 66 HD23 LEU 66 6.038 -4.866 -9.595 544 H VAL 67 H VAL 67 3.301 -6.726 -6.554 545 HA VAL 67 HA VAL 67 3.760 -6.393 -3.665 546 HB VAL 67 HB VAL 67 1.325 -7.087 -3.434 547 HG11 VAL 67 HG11 VAL 67 0.485 -4.829 -3.831 548 HG12 VAL 67 HG12 VAL 67 1.903 -4.468 -4.815 549 HG13 VAL 67 HG13 VAL 67 2.086 -4.786 -3.089 550 HG21 VAL 67 HG21 VAL 67 1.216 -6.303 -6.333 551 HG22 VAL 67 HG22 VAL 67 -0.135 -6.795 -5.310 552 HG23 VAL 67 HG23 VAL 67 1.122 -7.957 -5.734 553 H LEU 68 H LEU 68 2.829 -8.372 -2.429 554 HA LEU 68 HA LEU 68 3.338 -10.850 -3.927 555 HB2 LEU 68 HB2 LEU 68 5.287 -9.811 -2.439 556 HB3 LEU 68 HB3 LEU 68 4.400 -10.613 -1.161 557 HG LEU 68 HG LEU 68 5.480 -11.994 -3.620 558 HD11 LEU 68 HD11 LEU 68 7.284 -11.191 -2.197 559 HD12 LEU 68 HD12 LEU 68 7.149 -12.948 -2.112 560 HD13 LEU 68 HD13 LEU 68 6.530 -11.951 -0.794 561 HD21 LEU 68 HD21 LEU 68 4.970 -14.048 -2.390 562 HD22 LEU 68 HD22 LEU 68 3.516 -13.095 -2.688 563 HD23 LEU 68 HD23 LEU 68 4.260 -13.093 -1.089 564 H ARG 69 H ARG 69 1.798 -12.331 -3.567 565 HA ARG 69 HA ARG 69 -0.172 -11.846 -1.462 566 HB2 ARG 69 HB2 ARG 69 -1.340 -13.822 -2.605 567 HB3 ARG 69 HB3 ARG 69 -1.263 -12.299 -3.482 568 HG2 ARG 69 HG2 ARG 69 0.358 -13.092 -4.954 569 HG3 ARG 69 HG3 ARG 69 0.781 -14.447 -3.903 570 HD2 ARG 69 HD2 ARG 69 -1.406 -15.453 -4.320 571 HD3 ARG 69 HD3 ARG 69 -1.836 -14.096 -5.362 572 HE ARG 69 HE ARG 69 0.542 -15.244 -6.306 573 HH11 ARG 69 HH11 ARG 69 -2.850 -15.989 -6.014 574 HH12 ARG 69 HH12 ARG 69 -2.871 -17.033 -7.396 575 HH21 ARG 69 HH21 ARG 69 0.522 -16.614 -8.128 576 HH22 ARG 69 HH22 ARG 69 -0.954 -17.388 -8.598 577 H THR 70 H THR 70 -0.700 -13.403 0.118 578 HA THR 70 HA THR 70 1.166 -15.662 0.309 579 HB THR 70 HB THR 70 0.201 -14.233 2.760 580 HG1 THR 70 HG1 THR 70 2.224 -13.420 0.941 581 HG21 THR 70 HG21 THR 70 1.431 -16.014 3.490 582 HG22 THR 70 HG22 THR 70 2.755 -14.882 3.221 583 HG23 THR 70 HG23 THR 70 2.379 -16.103 2.006 584 H HIS 71 H HIS 71 0.407 -16.889 2.485 585 HA HIS 71 HA HIS 71 -1.248 -18.862 1.959 586 HB2 HIS 71 HB2 HIS 71 -0.272 -17.541 4.305 587 HB3 HIS 71 HB3 HIS 71 -1.867 -18.208 4.603 588 HD1 HIS 71 HD1 HIS 71 -2.048 -20.884 3.944 589 HD2 HIS 71 HD2 HIS 71 1.746 -19.299 4.548 590 HE1 HIS 71 HE1 HIS 71 -0.547 -22.866 4.335 591 HE2 HIS 71 HE2 HIS 71 1.729 -21.878 4.778 592 H GLN 72 H GLN 72 -2.545 -15.751 3.164 593 HA GLN 72 HA GLN 72 -4.927 -15.668 2.349 594 HB2 GLN 72 HB2 GLN 72 -6.535 -16.932 3.759 595 HB3 GLN 72 HB3 GLN 72 -5.492 -17.973 2.804 596 HG2 GLN 72 HG2 GLN 72 -4.098 -18.377 4.771 597 HG3 GLN 72 HG3 GLN 72 -5.152 -17.335 5.726 598 HE21 GLN 72 HE21 GLN 72 -7.214 -18.049 6.269 599 HE22 GLN 72 HE22 GLN 72 -7.669 -19.712 6.157 600 HA PRO 73 HA PRO 73 -7.040 -14.785 2.687 601 HB2 PRO 73 HB2 PRO 73 -7.125 -11.846 2.657 602 HB3 PRO 73 HB3 PRO 73 -8.449 -12.998 2.848 603 HG2 PRO 73 HG2 PRO 73 -7.586 -11.482 4.892 604 HG3 PRO 73 HG3 PRO 73 -8.176 -13.136 5.134 605 HD2 PRO 73 HD2 PRO 73 -5.356 -12.128 5.022 606 HD3 PRO 73 HD3 PRO 73 -6.081 -13.325 6.116 607 H ALA 74 H ALA 74 -4.048 -13.619 2.988 608 HA ALA 74 HA ALA 74 -2.523 -14.233 1.160 609 HB1 ALA 74 HB1 ALA 74 -4.247 -14.125 -0.613 610 HB2 ALA 74 HB2 ALA 74 -2.814 -13.172 -0.995 611 HB3 ALA 74 HB3 ALA 74 -4.283 -12.371 -0.440 612 H ARG 75 H ARG 75 -1.211 -13.276 2.652 613 HA ARG 75 HA ARG 75 -1.345 -10.537 3.405 614 HB2 ARG 75 HB2 ARG 75 1.087 -12.331 3.450 615 HB3 ARG 75 HB3 ARG 75 0.805 -10.903 4.429 616 HG2 ARG 75 HG2 ARG 75 -0.750 -11.975 5.780 617 HG3 ARG 75 HG3 ARG 75 -1.034 -13.255 4.599 618 HD2 ARG 75 HD2 ARG 75 1.123 -14.218 5.033 619 HD3 ARG 75 HD3 ARG 75 1.574 -12.854 6.059 620 HE ARG 75 HE ARG 75 -0.729 -13.997 7.133 621 HH11 ARG 75 HH11 ARG 75 2.599 -14.860 6.564 622 HH12 ARG 75 HH12 ARG 75 2.681 -15.947 7.910 623 HH21 ARG 75 HH21 ARG 75 -0.630 -15.426 8.907 624 HH22 ARG 75 HH22 ARG 75 0.846 -16.269 9.242 625 H TYR 76 H TYR 76 -0.857 -8.827 2.161 626 HA TYR 76 HA TYR 76 0.797 -9.198 -0.127 627 HB2 TYR 76 HB2 TYR 76 -0.754 -6.819 0.878 628 HB3 TYR 76 HB3 TYR 76 0.174 -6.813 -0.619 629 HD1 TYR 76 HD1 TYR 76 -0.343 -9.042 -2.101 630 HD2 TYR 76 HD2 TYR 76 -3.024 -7.170 0.621 631 HE1 TYR 76 HE1 TYR 76 -2.240 -10.049 -3.296 632 HE2 TYR 76 HE2 TYR 76 -4.933 -8.169 -0.567 633 HH TYR 76 HH TYR 76 -4.584 -10.654 -2.848 634 H SER 77 H SER 77 2.651 -8.045 -0.693 635 HA SER 77 HA SER 77 4.050 -6.635 1.379 636 HB2 SER 77 HB2 SER 77 5.228 -9.181 0.241 637 HB3 SER 77 HB3 SER 77 6.085 -8.032 1.269 638 HG SER 77 HG SER 77 5.143 -9.889 2.368 639 H LEU 78 H LEU 78 5.491 -5.187 0.573 640 HA LEU 78 HA LEU 78 5.366 -4.609 -2.214 641 HB2 LEU 78 HB2 LEU 78 6.981 -3.445 0.041 642 HB3 LEU 78 HB3 LEU 78 7.057 -2.835 -1.594 643 HG LEU 78 HG LEU 78 4.765 -2.707 0.336 644 HD11 LEU 78 HD11 LEU 78 6.524 -0.967 0.351 645 HD12 LEU 78 HD12 LEU 78 4.930 -0.348 -0.069 646 HD13 LEU 78 HD13 LEU 78 6.134 -0.606 -1.330 647 HD21 LEU 78 HD21 LEU 78 4.675 -2.150 -2.627 648 HD22 LEU 78 HD22 LEU 78 3.403 -1.775 -1.466 649 HD23 LEU 78 HD23 LEU 78 3.831 -3.453 -1.790 650 H THR 79 H THR 79 6.575 -5.534 -3.766 651 HA THR 79 HA THR 79 9.073 -6.766 -3.138 652 HB THR 79 HB THR 79 8.728 -6.595 -5.946 653 HG1 THR 79 HG1 THR 79 6.478 -7.597 -5.826 654 HG21 THR 79 HG21 THR 79 8.270 -8.991 -5.769 655 HG22 THR 79 HG22 THR 79 7.982 -8.816 -4.038 656 HG23 THR 79 HG23 THR 79 9.593 -8.533 -4.697 657 HA PRO 80 HA PRO 80 12.260 -3.901 -4.394 658 HB2 PRO 80 HB2 PRO 80 12.167 -4.949 -7.203 659 HB3 PRO 80 HB3 PRO 80 13.567 -4.544 -6.206 660 HG2 PRO 80 HG2 PRO 80 12.837 -7.072 -6.488 661 HG3 PRO 80 HG3 PRO 80 13.360 -6.466 -4.905 662 HD2 PRO 80 HD2 PRO 80 10.631 -7.141 -5.869 663 HD3 PRO 80 HD3 PRO 80 11.305 -7.232 -4.230 664 H GLU 81 H GLU 81 9.937 -4.249 -7.094 665 HA GLU 81 HA GLU 81 10.290 -1.558 -7.983 666 HB2 GLU 81 HB2 GLU 81 8.208 -3.652 -8.582 667 HB3 GLU 81 HB3 GLU 81 8.190 -2.053 -9.306 668 HG2 GLU 81 HG2 GLU 81 9.183 -3.643 -10.816 669 HG3 GLU 81 HG3 GLU 81 10.390 -2.475 -10.284 670 H GLY 82 H GLY 82 7.863 -3.200 -5.962 671 HA2 GLY 82 HA2 GLY 82 6.071 -0.953 -5.826 672 HA3 GLY 82 HA3 GLY 82 6.072 -2.347 -4.767 673 H LEU 83 H LEU 83 8.978 -1.949 -4.233 674 HA LEU 83 HA LEU 83 8.651 -0.353 -1.875 675 HB2 LEU 83 HB2 LEU 83 10.405 -2.346 -2.728 676 HB3 LEU 83 HB3 LEU 83 11.397 -0.907 -2.640 677 HG LEU 83 HG LEU 83 11.539 -2.134 -0.559 678 HD11 LEU 83 HD11 LEU 83 11.664 0.277 -0.389 679 HD12 LEU 83 HD12 LEU 83 10.835 -0.392 1.018 680 HD13 LEU 83 HD13 LEU 83 9.908 0.382 -0.267 681 HD21 LEU 83 HD21 LEU 83 9.398 -3.300 -0.696 682 HD22 LEU 83 HD22 LEU 83 8.552 -1.784 -0.380 683 HD23 LEU 83 HD23 LEU 83 9.593 -2.489 0.858 684 H GLU 84 H GLU 84 10.784 -0.089 -4.717 685 HA GLU 84 HA GLU 84 11.643 2.432 -4.359 686 HB2 GLU 84 HB2 GLU 84 10.936 1.148 -7.002 687 HB3 GLU 84 HB3 GLU 84 11.902 2.607 -6.839 688 HG2 GLU 84 HG2 GLU 84 13.581 1.363 -5.588 689 HG3 GLU 84 HG3 GLU 84 12.606 -0.096 -5.736 690 H LEU 85 H LEU 85 8.650 1.546 -6.035 691 HA LEU 85 HA LEU 85 7.973 4.176 -6.877 692 HB2 LEU 85 HB2 LEU 85 6.620 1.530 -6.669 693 HB3 LEU 85 HB3 LEU 85 5.626 2.958 -6.814 694 HG LEU 85 HG LEU 85 7.756 2.125 -8.781 695 HD11 LEU 85 HD11 LEU 85 5.884 1.597 -10.265 696 HD12 LEU 85 HD12 LEU 85 4.751 1.965 -8.963 697 HD13 LEU 85 HD13 LEU 85 5.858 0.602 -8.808 698 HD21 LEU 85 HD21 LEU 85 7.454 4.541 -8.707 699 HD22 LEU 85 HD22 LEU 85 5.712 4.342 -8.895 700 HD23 LEU 85 HD23 LEU 85 6.799 3.876 -10.204 701 H ALA 86 H ALA 86 7.243 2.134 -4.074 702 HA ALA 86 HA ALA 86 5.214 3.742 -2.930 703 HB1 ALA 86 HB1 ALA 86 5.704 2.570 -0.856 704 HB2 ALA 86 HB2 ALA 86 7.192 1.931 -1.552 705 HB3 ALA 86 HB3 ALA 86 5.630 1.445 -2.211 706 H GLN 87 H GLN 87 8.750 3.835 -2.683 707 HA GLN 87 HA GLN 87 8.905 5.692 -0.540 708 HB2 GLN 87 HB2 GLN 87 10.799 5.139 -2.834 709 HB3 GLN 87 HB3 GLN 87 11.176 6.196 -1.481 710 HG2 GLN 87 HG2 GLN 87 10.962 4.323 0.058 711 HG3 GLN 87 HG3 GLN 87 10.551 3.259 -1.285 712 HE21 GLN 87 HE21 GLN 87 13.075 5.050 0.289 713 HE22 GLN 87 HE22 GLN 87 14.398 4.304 -0.535 714 H LYS 88 H LYS 88 8.778 6.020 -4.048 715 HA LYS 88 HA LYS 88 8.778 8.762 -4.161 716 HB2 LYS 88 HB2 LYS 88 7.246 7.027 -6.086 717 HB3 LYS 88 HB3 LYS 88 8.091 8.530 -6.412 718 HG2 LYS 88 HG2 LYS 88 10.232 7.429 -6.026 719 HG3 LYS 88 HG3 LYS 88 9.394 5.927 -5.652 720 HD2 LYS 88 HD2 LYS 88 8.409 6.004 -7.955 721 HD3 LYS 88 HD3 LYS 88 9.483 7.362 -8.297 722 HE2 LYS 88 HE2 LYS 88 11.421 5.944 -7.775 723 HE3 LYS 88 HE3 LYS 88 10.339 4.586 -7.462 724 HZ1 LYS 88 HZ1 LYS 88 11.279 4.477 -9.683 725 HZ2 LYS 88 HZ2 LYS 88 10.639 5.997 -10.062 726 HZ3 LYS 88 HZ3 LYS 88 9.602 4.695 -9.763 727 H LEU 89 H LEU 89 5.979 6.583 -4.013 728 HA LEU 89 HA LEU 89 3.963 8.544 -4.375 729 HB2 LEU 89 HB2 LEU 89 4.053 5.783 -3.196 730 HB3 LEU 89 HB3 LEU 89 2.596 6.751 -3.116 731 HG LEU 89 HG LEU 89 2.505 6.839 -5.559 732 HD11 LEU 89 HD11 LEU 89 3.994 5.597 -6.956 733 HD12 LEU 89 HD12 LEU 89 4.859 4.975 -5.552 734 HD13 LEU 89 HD13 LEU 89 4.947 6.690 -5.952 735 HD21 LEU 89 HD21 LEU 89 2.835 4.027 -4.530 736 HD22 LEU 89 HD22 LEU 89 1.919 4.520 -5.954 737 HD23 LEU 89 HD23 LEU 89 1.387 5.016 -4.348 738 H ALA 90 H ALA 90 5.847 7.380 -1.719 739 HA ALA 90 HA ALA 90 4.386 8.586 0.343 740 HB1 ALA 90 HB1 ALA 90 6.028 6.716 0.554 741 HB2 ALA 90 HB2 ALA 90 6.185 7.985 1.768 742 HB3 ALA 90 HB3 ALA 90 7.315 7.914 0.415 743 H GLU 91 H GLU 91 6.946 9.817 -1.677 744 HA GLU 91 HA GLU 91 7.779 11.996 -0.172 745 HB2 GLU 91 HB2 GLU 91 7.441 12.149 -3.159 746 HB3 GLU 91 HB3 GLU 91 8.662 12.928 -2.160 747 HG2 GLU 91 HG2 GLU 91 9.678 10.779 -1.692 748 HG3 GLU 91 HG3 GLU 91 8.423 9.980 -2.637 749 H SER 92 H SER 92 5.193 11.835 -2.575 750 HA SER 92 HA SER 92 4.224 14.354 -2.396 751 HB2 SER 92 HB2 SER 92 3.459 12.688 -4.020 752 HB3 SER 92 HB3 SER 92 2.606 11.823 -2.743 753 HG SER 92 HG SER 92 1.304 13.682 -2.458 754 H GLU 93 H GLU 93 3.868 11.859 0.004 755 HA GLU 93 HA GLU 93 1.650 13.237 1.329 756 HB2 GLU 93 HB2 GLU 93 3.076 10.709 2.160 757 HB3 GLU 93 HB3 GLU 93 1.564 11.333 2.800 758 HG2 GLU 93 HG2 GLU 93 1.958 10.437 -0.040 759 HG3 GLU 93 HG3 GLU 93 1.310 9.426 1.248 760 H GLY 94 H GLY 94 4.961 13.355 1.154 761 HA2 GLY 94 HA2 GLY 94 6.331 14.847 2.364 762 HA3 GLY 94 HA3 GLY 94 5.080 14.957 3.598 763 H LEU 95 H LEU 95 5.068 11.840 3.090 764 HA LEU 95 HA LEU 95 6.090 9.954 3.849 765 HB2 LEU 95 HB2 LEU 95 8.225 11.158 3.025 766 HB3 LEU 95 HB3 LEU 95 8.486 11.543 4.715 767 HG LEU 95 HG LEU 95 9.747 9.548 3.885 768 HD11 LEU 95 HD11 LEU 95 7.770 8.923 6.067 769 HD12 LEU 95 HD12 LEU 95 9.243 9.872 6.274 770 HD13 LEU 95 HD13 LEU 95 9.346 8.172 5.817 771 HD21 LEU 95 HD21 LEU 95 8.503 7.441 3.612 772 HD22 LEU 95 HD22 LEU 95 8.111 8.631 2.372 773 HD23 LEU 95 HD23 LEU 95 6.990 8.345 3.704 774 H SER 96 H SER 96 4.265 11.277 5.311 775 HA SER 96 HA SER 96 5.206 11.367 8.008 776 HB2 SER 96 HB2 SER 96 3.491 12.936 7.221 777 HB3 SER 96 HB3 SER 96 2.399 11.591 6.887 778 HG SER 96 HG SER 96 2.376 12.865 9.043 779 H LEU 97 H LEU 97 3.299 9.136 6.075 780 HA LEU 97 HA LEU 97 2.263 7.404 7.671 781 HB2 LEU 97 HB2 LEU 97 4.225 6.282 5.690 782 HB3 LEU 97 HB3 LEU 97 2.677 5.622 6.175 783 HG LEU 97 HG LEU 97 1.749 7.841 5.093 784 HD11 LEU 97 HD11 LEU 97 3.061 8.515 3.135 785 HD12 LEU 97 HD12 LEU 97 4.369 7.451 3.650 786 HD13 LEU 97 HD13 LEU 97 3.923 8.839 4.639 787 HD21 LEU 97 HD21 LEU 97 1.478 6.631 2.985 788 HD22 LEU 97 HD22 LEU 97 1.200 5.582 4.376 789 HD23 LEU 97 HD23 LEU 97 2.719 5.483 3.486 790 H LEU 98 H LEU 98 5.563 6.437 6.800 791 HA LEU 98 HA LEU 98 6.220 4.857 8.768 792 HB2 LEU 98 HB2 LEU 98 7.984 7.043 7.682 793 HB3 LEU 98 HB3 LEU 98 8.585 5.761 8.716 794 HG LEU 98 HG LEU 98 7.282 5.336 6.025 795 HD11 LEU 98 HD11 LEU 98 10.185 5.215 6.834 796 HD12 LEU 98 HD12 LEU 98 9.441 6.443 5.810 797 HD13 LEU 98 HD13 LEU 98 9.532 4.772 5.256 798 HD21 LEU 98 HD21 LEU 98 8.094 3.042 6.272 799 HD22 LEU 98 HD22 LEU 98 6.961 3.466 7.555 800 HD23 LEU 98 HD23 LEU 98 8.693 3.427 7.884 801 H ASN 99 H ASN 99 7.161 8.273 9.198 802 HA ASN 99 HA ASN 99 6.649 7.928 12.077 803 HB2 ASN 99 HB2 ASN 99 8.687 9.703 10.717 804 HB3 ASN 99 HB3 ASN 99 8.399 9.638 12.453 805 HD21 ASN 99 HD21 ASN 99 9.044 7.824 13.614 806 HD22 ASN 99 HD22 ASN 99 10.172 6.681 12.976 807 H VAL 100 H VAL 100 4.890 8.972 12.712 808 HA VAL 100 HA VAL 100 3.975 11.323 11.236 809 HB VAL 100 HB VAL 100 1.911 11.117 12.587 810 HG11 VAL 100 HG11 VAL 100 2.765 8.579 11.197 811 HG12 VAL 100 HG12 VAL 100 2.061 10.002 10.429 812 HG13 VAL 100 HG13 VAL 100 1.103 9.045 11.557 813 HG21 VAL 100 HG21 VAL 100 2.877 10.138 14.598 814 HG22 VAL 100 HG22 VAL 100 3.253 8.660 13.713 815 HG23 VAL 100 HG23 VAL 100 1.573 9.126 13.977 816 H GLY 101 H GLY 101 3.089 13.166 12.528 817 HA2 GLY 101 HA2 GLY 101 3.401 13.951 14.999 818 HA3 GLY 101 HA3 GLY 101 5.094 13.914 14.533 819 H ILE 102 H ILE 102 5.271 16.154 14.933 820 HA ILE 102 HA ILE 102 3.674 17.983 13.348 821 HB ILE 102 HB ILE 102 5.930 18.490 15.293 822 HG12 ILE 102 HG12 ILE 102 4.009 19.543 16.606 823 HG13 ILE 102 HG13 ILE 102 2.927 18.737 15.476 824 HG21 ILE 102 HG21 ILE 102 5.291 20.864 15.143 825 HG22 ILE 102 HG22 ILE 102 4.180 20.463 13.833 826 HG23 ILE 102 HG23 ILE 102 5.916 20.234 13.618 827 HD11 ILE 102 HD11 ILE 102 4.936 17.351 17.236 828 HD12 ILE 102 HD12 ILE 102 3.759 16.579 16.173 829 HD13 ILE 102 HD13 ILE 102 3.212 17.501 17.573 830 H GLY 103 H GLY 103 4.246 18.825 11.442 831 HA2 GLY 103 HA2 GLY 103 7.088 18.968 10.719 832 HA3 GLY 103 HA3 GLY 103 6.000 18.058 9.681 Start of MODEL 19 1 H GLY 1 H GLY 1 6.834 0.188 -21.403 2 HA2 GLY 1 HA2 GLY 1 8.823 0.795 -20.187 3 HA3 GLY 1 HA3 GLY 1 7.883 2.212 -20.629 4 H SER 2 H SER 2 7.057 3.511 -19.054 5 HA SER 2 HA SER 2 7.958 2.953 -16.337 6 HB2 SER 2 HB2 SER 2 7.421 5.327 -15.910 7 HB3 SER 2 HB3 SER 2 8.506 5.143 -17.288 8 HG SER 2 HG SER 2 7.063 6.292 -18.291 9 H TYR 3 H TYR 3 6.510 3.498 -14.514 10 HA TYR 3 HA TYR 3 3.663 3.178 -15.088 11 HB2 TYR 3 HB2 TYR 3 4.565 0.900 -14.699 12 HB3 TYR 3 HB3 TYR 3 5.149 1.420 -13.122 13 HD1 TYR 3 HD1 TYR 3 2.111 0.788 -15.129 14 HD2 TYR 3 HD2 TYR 3 3.688 1.532 -11.248 15 HE1 TYR 3 HE1 TYR 3 -0.059 0.189 -14.139 16 HE2 TYR 3 HE2 TYR 3 1.523 0.935 -10.248 17 HH TYR 3 HH TYR 3 -0.939 -0.615 -11.982 18 H TRP 4 H TRP 4 2.683 4.810 -14.095 19 HA TRP 4 HA TRP 4 3.381 5.445 -11.348 20 HB2 TRP 4 HB2 TRP 4 4.790 6.966 -12.692 21 HB3 TRP 4 HB3 TRP 4 3.346 7.580 -13.491 22 HD1 TRP 4 HD1 TRP 4 1.708 9.153 -12.025 23 HE1 TRP 4 HE1 TRP 4 2.154 10.569 -9.923 24 HE3 TRP 4 HE3 TRP 4 6.125 7.042 -10.544 25 HZ2 TRP 4 HZ2 TRP 4 4.117 10.765 -7.904 26 HZ3 TRP 4 HZ3 TRP 4 7.220 7.903 -8.516 27 HH2 TRP 4 HH2 TRP 4 6.236 9.726 -7.225 28 HA PRO 5 HA PRO 5 -1.162 5.327 -11.806 29 HB2 PRO 5 HB2 PRO 5 -0.985 5.274 -8.857 30 HB3 PRO 5 HB3 PRO 5 -1.822 4.172 -9.952 31 HG2 PRO 5 HG2 PRO 5 0.416 3.436 -8.680 32 HG3 PRO 5 HG3 PRO 5 0.069 2.899 -10.334 33 HD2 PRO 5 HD2 PRO 5 1.923 5.049 -9.387 34 HD3 PRO 5 HD3 PRO 5 2.145 3.859 -10.686 35 H ALA 6 H ALA 6 -2.881 6.598 -10.432 36 HA ALA 6 HA ALA 6 -2.371 9.315 -10.666 37 HB1 ALA 6 HB1 ALA 6 -4.530 9.662 -9.622 38 HB2 ALA 6 HB2 ALA 6 -4.523 8.011 -9.004 39 HB3 ALA 6 HB3 ALA 6 -4.610 8.302 -10.741 40 H ARG 7 H ARG 7 -3.564 10.366 -8.253 41 HA ARG 7 HA ARG 7 -1.204 10.362 -6.565 42 HB2 ARG 7 HB2 ARG 7 -3.710 12.046 -6.404 43 HB3 ARG 7 HB3 ARG 7 -2.237 12.301 -5.479 44 HG2 ARG 7 HG2 ARG 7 -1.008 12.762 -7.528 45 HG3 ARG 7 HG3 ARG 7 -2.467 12.469 -8.477 46 HD2 ARG 7 HD2 ARG 7 -2.113 14.628 -6.400 47 HD3 ARG 7 HD3 ARG 7 -2.070 14.863 -8.146 48 HE ARG 7 HE ARG 7 -4.494 13.635 -7.483 49 HH11 ARG 7 HH11 ARG 7 -2.850 16.673 -7.023 50 HH12 ARG 7 HH12 ARG 7 -4.312 17.597 -6.931 51 HH21 ARG 7 HH21 ARG 7 -6.423 14.844 -7.362 52 HH22 ARG 7 HH22 ARG 7 -6.343 16.557 -7.123 53 H HIS 8 H HIS 8 -4.553 9.356 -6.427 54 HA HIS 8 HA HIS 8 -4.003 8.056 -3.848 55 HB2 HIS 8 HB2 HIS 8 -6.568 9.541 -4.463 56 HB3 HIS 8 HB3 HIS 8 -6.148 8.738 -2.954 57 HD1 HIS 8 HD1 HIS 8 -6.241 11.982 -4.413 58 HD2 HIS 8 HD2 HIS 8 -3.675 10.036 -1.788 59 HE1 HIS 8 HE1 HIS 8 -4.965 13.806 -3.242 60 HE2 HIS 8 HE2 HIS 8 -3.482 12.607 -1.597 61 H SER 9 H SER 9 -4.409 7.339 -6.832 62 HA SER 9 HA SER 9 -6.776 5.913 -7.161 63 HB2 SER 9 HB2 SER 9 -5.538 4.600 -8.879 64 HB3 SER 9 HB3 SER 9 -5.306 6.341 -9.044 65 HG SER 9 HG SER 9 -3.332 5.230 -9.220 66 H GLY 10 H GLY 10 -6.912 3.470 -7.370 67 HA2 GLY 10 HA2 GLY 10 -6.702 2.281 -4.877 68 HA3 GLY 10 HA3 GLY 10 -6.878 1.397 -6.384 69 H ALA 11 H ALA 11 -4.712 1.290 -7.669 70 HA ALA 11 HA ALA 11 -2.883 -0.177 -6.293 71 HB1 ALA 11 HB1 ALA 11 -1.353 0.147 -8.187 72 HB2 ALA 11 HB2 ALA 11 -2.361 1.476 -8.760 73 HB3 ALA 11 HB3 ALA 11 -3.008 -0.166 -8.713 74 H ARG 12 H ARG 12 -3.098 3.268 -6.385 75 HA ARG 12 HA ARG 12 -0.362 3.851 -5.679 76 HB2 ARG 12 HB2 ARG 12 -2.413 5.314 -6.718 77 HB3 ARG 12 HB3 ARG 12 -2.491 5.788 -5.035 78 HG2 ARG 12 HG2 ARG 12 0.128 5.846 -6.438 79 HG3 ARG 12 HG3 ARG 12 -1.043 7.129 -6.730 80 HD2 ARG 12 HD2 ARG 12 -1.172 7.456 -4.255 81 HD3 ARG 12 HD3 ARG 12 0.168 6.325 -4.094 82 HE ARG 12 HE ARG 12 0.915 8.310 -5.911 83 HH11 ARG 12 HH11 ARG 12 0.210 7.960 -2.518 84 HH12 ARG 12 HH12 ARG 12 1.220 9.283 -2.042 85 HH21 ARG 12 HH21 ARG 12 2.250 10.047 -5.293 86 HH22 ARG 12 HH22 ARG 12 2.381 10.467 -3.618 87 H VAL 13 H VAL 13 -3.501 3.704 -4.092 88 HA VAL 13 HA VAL 13 -2.661 4.507 -1.529 89 HB VAL 13 HB VAL 13 -5.045 2.868 -2.384 90 HG11 VAL 13 HG11 VAL 13 -4.597 2.440 -0.055 91 HG12 VAL 13 HG12 VAL 13 -6.006 3.491 -0.197 92 HG13 VAL 13 HG13 VAL 13 -4.445 4.166 0.268 93 HG21 VAL 13 HG21 VAL 13 -4.925 5.769 -1.597 94 HG22 VAL 13 HG22 VAL 13 -6.284 4.897 -2.304 95 HG23 VAL 13 HG23 VAL 13 -4.839 5.208 -3.265 96 H ILE 14 H ILE 14 -3.136 1.291 -2.972 97 HA ILE 14 HA ILE 14 -2.547 -0.129 -0.680 98 HB ILE 14 HB ILE 14 -2.315 -2.082 -2.054 99 HG12 ILE 14 HG12 ILE 14 -2.212 -0.199 -4.417 100 HG13 ILE 14 HG13 ILE 14 -0.868 -1.166 -3.822 101 HG21 ILE 14 HG21 ILE 14 -4.424 -1.974 -3.280 102 HG22 ILE 14 HG22 ILE 14 -4.409 -0.217 -3.136 103 HG23 ILE 14 HG23 ILE 14 -4.547 -1.218 -1.694 104 HD11 ILE 14 HD11 ILE 14 -1.993 -3.194 -4.433 105 HD12 ILE 14 HD12 ILE 14 -1.951 -2.108 -5.822 106 HD13 ILE 14 HD13 ILE 14 -3.439 -2.297 -4.895 107 H LEU 15 H LEU 15 -0.224 0.122 -3.434 108 HA LEU 15 HA LEU 15 1.879 -0.780 -2.117 109 HB2 LEU 15 HB2 LEU 15 2.121 1.528 -4.038 110 HB3 LEU 15 HB3 LEU 15 3.345 0.337 -3.670 111 HG LEU 15 HG LEU 15 0.723 -0.529 -4.827 112 HD11 LEU 15 HD11 LEU 15 1.711 -0.337 -7.063 113 HD12 LEU 15 HD12 LEU 15 3.094 0.511 -6.370 114 HD13 LEU 15 HD13 LEU 15 1.486 1.235 -6.298 115 HD21 LEU 15 HD21 LEU 15 2.246 -2.225 -3.957 116 HD22 LEU 15 HD22 LEU 15 3.535 -1.606 -4.989 117 HD23 LEU 15 HD23 LEU 15 2.104 -2.342 -5.711 118 H LEU 16 H LEU 16 0.609 2.441 -1.612 119 HA LEU 16 HA LEU 16 3.037 3.522 -0.468 120 HB2 LEU 16 HB2 LEU 16 1.480 4.988 -1.631 121 HB3 LEU 16 HB3 LEU 16 0.182 4.483 -0.569 122 HG LEU 16 HG LEU 16 1.414 5.463 1.334 123 HD11 LEU 16 HD11 LEU 16 3.254 7.003 0.882 124 HD12 LEU 16 HD12 LEU 16 3.200 6.572 -0.827 125 HD13 LEU 16 HD13 LEU 16 3.661 5.364 0.371 126 HD21 LEU 16 HD21 LEU 16 -0.376 6.643 0.132 127 HD22 LEU 16 HD22 LEU 16 0.834 7.379 -0.916 128 HD23 LEU 16 HD23 LEU 16 0.820 7.744 0.811 129 H VAL 17 H VAL 17 -0.098 2.269 0.510 130 HA VAL 17 HA VAL 17 0.195 2.769 3.286 131 HB VAL 17 HB VAL 17 -1.937 2.375 1.976 132 HG11 VAL 17 HG11 VAL 17 -1.044 -0.463 2.279 133 HG12 VAL 17 HG12 VAL 17 -1.536 0.394 0.815 134 HG13 VAL 17 HG13 VAL 17 -2.731 -0.005 2.048 135 HG21 VAL 17 HG21 VAL 17 -1.486 0.930 4.575 136 HG22 VAL 17 HG22 VAL 17 -3.070 1.318 3.906 137 HG23 VAL 17 HG23 VAL 17 -1.964 2.615 4.368 138 H LEU 18 H LEU 18 0.677 -0.191 1.298 139 HA LEU 18 HA LEU 18 1.627 -1.761 3.314 140 HB2 LEU 18 HB2 LEU 18 2.651 -1.761 0.466 141 HB3 LEU 18 HB3 LEU 18 2.882 -3.061 1.615 142 HG LEU 18 HG LEU 18 0.429 -2.278 0.117 143 HD11 LEU 18 HD11 LEU 18 1.751 -4.906 0.726 144 HD12 LEU 18 HD12 LEU 18 1.862 -4.004 -0.785 145 HD13 LEU 18 HD13 LEU 18 0.316 -4.681 -0.274 146 HD21 LEU 18 HD21 LEU 18 -0.905 -3.739 1.596 147 HD22 LEU 18 HD22 LEU 18 -0.345 -2.279 2.408 148 HD23 LEU 18 HD23 LEU 18 0.462 -3.819 2.706 149 H TYR 19 H TYR 19 3.131 0.936 1.833 150 HA TYR 19 HA TYR 19 5.873 0.287 2.109 151 HB2 TYR 19 HB2 TYR 19 5.078 2.187 0.766 152 HB3 TYR 19 HB3 TYR 19 4.542 2.993 2.234 153 HD1 TYR 19 HD1 TYR 19 7.580 1.683 0.539 154 HD2 TYR 19 HD2 TYR 19 6.001 4.357 3.447 155 HE1 TYR 19 HE1 TYR 19 9.797 2.717 0.784 156 HE2 TYR 19 HE2 TYR 19 8.212 5.398 3.699 157 HH TYR 19 HH TYR 19 10.758 4.859 1.527 158 H ARG 20 H ARG 20 3.949 2.483 4.217 159 HA ARG 20 HA ARG 20 5.729 2.562 6.252 160 HB2 ARG 20 HB2 ARG 20 3.681 3.930 6.088 161 HB3 ARG 20 HB3 ARG 20 2.714 2.536 6.537 162 HG2 ARG 20 HG2 ARG 20 4.876 3.493 8.354 163 HG3 ARG 20 HG3 ARG 20 3.323 4.324 8.311 164 HD2 ARG 20 HD2 ARG 20 2.201 2.176 8.789 165 HD3 ARG 20 HD3 ARG 20 3.780 1.402 8.906 166 HE ARG 20 HE ARG 20 3.728 3.577 10.664 167 HH11 ARG 20 HH11 ARG 20 2.245 0.447 10.265 168 HH12 ARG 20 HH12 ARG 20 2.000 0.206 11.962 169 HH21 ARG 20 HH21 ARG 20 3.411 3.265 12.898 170 HH22 ARG 20 HH22 ARG 20 2.663 1.807 13.460 171 H GLU 21 H GLU 21 2.859 0.457 6.574 172 HA GLU 21 HA GLU 21 3.659 -1.049 8.537 173 HB2 GLU 21 HB2 GLU 21 1.496 -1.316 7.358 174 HB3 GLU 21 HB3 GLU 21 2.312 -2.283 6.135 175 HG2 GLU 21 HG2 GLU 21 1.161 -3.674 7.769 176 HG3 GLU 21 HG3 GLU 21 2.899 -3.941 7.797 177 H HIS 22 H HIS 22 5.194 -1.194 5.472 178 HA HIS 22 HA HIS 22 6.316 -3.863 5.896 179 HB2 HIS 22 HB2 HIS 22 5.815 -3.380 3.610 180 HB3 HIS 22 HB3 HIS 22 6.654 -1.838 3.678 181 HD1 HIS 22 HD1 HIS 22 7.138 -5.363 2.863 182 HD2 HIS 22 HD2 HIS 22 9.550 -2.138 3.886 183 HE1 HIS 22 HE1 HIS 22 9.466 -6.016 2.173 184 HE2 HIS 22 HE2 HIS 22 10.889 -4.011 2.711 185 H LEU 23 H LEU 23 7.184 -0.451 5.867 186 HA LEU 23 HA LEU 23 9.860 -0.831 6.609 187 HB2 LEU 23 HB2 LEU 23 7.980 1.467 6.507 188 HB3 LEU 23 HB3 LEU 23 9.442 1.661 7.457 189 HG LEU 23 HG LEU 23 10.718 0.944 5.402 190 HD11 LEU 23 HD11 LEU 23 8.131 1.565 4.008 191 HD12 LEU 23 HD12 LEU 23 8.794 -0.055 4.224 192 HD13 LEU 23 HD13 LEU 23 9.666 1.133 3.255 193 HD21 LEU 23 HD21 LEU 23 9.132 3.499 5.292 194 HD22 LEU 23 HD22 LEU 23 10.613 3.172 4.391 195 HD23 LEU 23 HD23 LEU 23 10.651 3.249 6.152 196 H ASN 24 H ASN 24 7.347 -1.742 8.341 197 HA ASN 24 HA ASN 24 8.074 -0.709 10.911 198 HB2 ASN 24 HB2 ASN 24 6.022 -2.639 9.903 199 HB3 ASN 24 HB3 ASN 24 6.397 -2.600 11.625 200 HD21 ASN 24 HD21 ASN 24 5.877 -0.801 12.832 201 HD22 ASN 24 HD22 ASN 24 4.816 0.429 12.250 202 HA PRO 25 HA PRO 25 11.260 -3.899 11.428 203 HB2 PRO 25 HB2 PRO 25 11.813 -2.421 13.901 204 HB3 PRO 25 HB3 PRO 25 12.875 -2.745 12.533 205 HG2 PRO 25 HG2 PRO 25 11.909 -0.282 13.056 206 HG3 PRO 25 HG3 PRO 25 12.222 -0.848 11.406 207 HD2 PRO 25 HD2 PRO 25 9.620 -0.634 12.871 208 HD3 PRO 25 HD3 PRO 25 9.995 -0.277 11.178 209 H ASN 26 H ASN 26 9.018 -2.650 13.829 210 HA ASN 26 HA ASN 26 9.229 -5.168 15.328 211 HB2 ASN 26 HB2 ASN 26 9.757 -3.096 16.654 212 HB3 ASN 26 HB3 ASN 26 8.112 -2.547 16.354 213 HD21 ASN 26 HD21 ASN 26 10.097 -4.900 17.982 214 HD22 ASN 26 HD22 ASN 26 8.895 -5.436 19.099 215 H GLY 27 H GLY 27 7.786 -4.753 12.872 216 HA2 GLY 27 HA2 GLY 27 5.102 -5.272 13.781 217 HA3 GLY 27 HA3 GLY 27 5.237 -3.916 12.668 218 H HIS 28 H HIS 28 3.699 -5.804 11.733 219 HA HIS 28 HA HIS 28 5.105 -7.969 10.438 220 HB2 HIS 28 HB2 HIS 28 2.278 -6.949 10.070 221 HB3 HIS 28 HB3 HIS 28 2.928 -8.424 9.361 222 HD1 HIS 28 HD1 HIS 28 2.994 -10.490 10.819 223 HD2 HIS 28 HD2 HIS 28 1.903 -7.064 12.902 224 HE1 HIS 28 HE1 HIS 28 2.203 -11.295 13.066 225 HE2 HIS 28 HE2 HIS 28 1.645 -9.196 14.345 226 H HIS 29 H HIS 29 5.944 -7.967 8.435 227 HA HIS 29 HA HIS 29 6.134 -5.463 7.014 228 HB2 HIS 29 HB2 HIS 29 7.174 -8.209 6.277 229 HB3 HIS 29 HB3 HIS 29 7.616 -6.697 5.492 230 HD1 HIS 29 HD1 HIS 29 8.179 -8.670 8.622 231 HD2 HIS 29 HD2 HIS 29 9.487 -5.143 6.860 232 HE1 HIS 29 HE1 HIS 29 10.165 -7.938 9.979 233 HE2 HIS 29 HE2 HIS 29 10.999 -5.855 8.834 234 H PHE 30 H PHE 30 3.491 -6.446 7.190 235 HA PHE 30 HA PHE 30 2.691 -6.367 4.473 236 HB2 PHE 30 HB2 PHE 30 1.516 -8.599 4.459 237 HB3 PHE 30 HB3 PHE 30 3.267 -8.689 4.351 238 HD1 PHE 30 HD1 PHE 30 0.371 -9.155 6.577 239 HD2 PHE 30 HD2 PHE 30 4.551 -9.754 6.044 240 HE1 PHE 30 HE1 PHE 30 0.398 -10.664 8.519 241 HE2 PHE 30 HE2 PHE 30 4.586 -11.266 7.985 242 HZ PHE 30 HZ PHE 30 2.507 -11.722 9.225 243 H LEU 31 H LEU 31 0.221 -6.968 4.343 244 HA LEU 31 HA LEU 31 -1.211 -6.529 6.853 245 HB2 LEU 31 HB2 LEU 31 -1.213 -4.765 4.425 246 HB3 LEU 31 HB3 LEU 31 -2.590 -4.822 5.502 247 HG LEU 31 HG LEU 31 0.204 -4.063 6.339 248 HD11 LEU 31 HD11 LEU 31 -0.737 -2.419 4.809 249 HD12 LEU 31 HD12 LEU 31 -0.656 -1.780 6.450 250 HD13 LEU 31 HD13 LEU 31 -2.198 -2.327 5.792 251 HD21 LEU 31 HD21 LEU 31 -0.881 -3.296 8.391 252 HD22 LEU 31 HD22 LEU 31 -1.129 -5.025 8.144 253 HD23 LEU 31 HD23 LEU 31 -2.432 -3.889 7.795 254 H THR 32 H THR 32 -3.357 -7.225 6.838 255 HA THR 32 HA THR 32 -3.960 -9.177 4.747 256 HB THR 32 HB THR 32 -5.826 -9.875 6.208 257 HG1 THR 32 HG1 THR 32 -5.163 -8.663 8.475 258 HG21 THR 32 HG21 THR 32 -3.640 -10.936 6.482 259 HG22 THR 32 HG22 THR 32 -4.475 -10.809 8.032 260 HG23 THR 32 HG23 THR 32 -3.171 -9.688 7.637 261 H LYS 33 H LYS 33 -6.326 -9.212 4.004 262 HA LYS 33 HA LYS 33 -6.802 -6.808 2.587 263 HB2 LYS 33 HB2 LYS 33 -7.684 -9.369 2.345 264 HB3 LYS 33 HB3 LYS 33 -9.109 -8.586 3.010 265 HG2 LYS 33 HG2 LYS 33 -7.645 -7.763 0.510 266 HG3 LYS 33 HG3 LYS 33 -9.183 -8.622 0.582 267 HD2 LYS 33 HD2 LYS 33 -10.224 -6.712 1.668 268 HD3 LYS 33 HD3 LYS 33 -8.680 -5.858 1.688 269 HE2 LYS 33 HE2 LYS 33 -10.076 -5.060 -0.138 270 HE3 LYS 33 HE3 LYS 33 -8.644 -5.877 -0.761 271 HZ1 LYS 33 HZ1 LYS 33 -10.625 -6.526 -1.974 272 HZ2 LYS 33 HZ2 LYS 33 -11.357 -7.068 -0.549 273 HZ3 LYS 33 HZ3 LYS 33 -9.982 -7.854 -1.145 274 H GLU 34 H GLU 34 -8.020 -8.079 5.633 275 HA GLU 34 HA GLU 34 -9.949 -6.025 5.971 276 HB2 GLU 34 HB2 GLU 34 -10.152 -6.895 8.267 277 HB3 GLU 34 HB3 GLU 34 -10.216 -8.174 7.063 278 HG2 GLU 34 HG2 GLU 34 -7.883 -8.725 7.523 279 HG3 GLU 34 HG3 GLU 34 -7.820 -7.441 8.731 280 H GLU 35 H GLU 35 -6.557 -6.271 6.805 281 HA GLU 35 HA GLU 35 -6.685 -4.157 8.811 282 HB2 GLU 35 HB2 GLU 35 -4.367 -5.679 7.609 283 HB3 GLU 35 HB3 GLU 35 -4.182 -4.375 8.773 284 HG2 GLU 35 HG2 GLU 35 -5.433 -5.646 10.423 285 HG3 GLU 35 HG3 GLU 35 -5.673 -6.945 9.255 286 H LEU 36 H LEU 36 -6.273 -4.628 5.458 287 HA LEU 36 HA LEU 36 -4.689 -2.344 4.814 288 HB2 LEU 36 HB2 LEU 36 -6.574 -4.059 3.210 289 HB3 LEU 36 HB3 LEU 36 -5.632 -2.751 2.532 290 HG LEU 36 HG LEU 36 -4.371 -5.067 3.951 291 HD11 LEU 36 HD11 LEU 36 -4.190 -6.284 2.015 292 HD12 LEU 36 HD12 LEU 36 -4.421 -4.876 0.982 293 HD13 LEU 36 HD13 LEU 36 -5.798 -5.585 1.824 294 HD21 LEU 36 HD21 LEU 36 -2.380 -4.356 2.724 295 HD22 LEU 36 HD22 LEU 36 -3.003 -3.069 3.755 296 HD23 LEU 36 HD23 LEU 36 -3.298 -3.027 2.017 297 H LEU 37 H LEU 37 -8.144 -3.064 4.684 298 HA LEU 37 HA LEU 37 -9.126 -0.715 3.628 299 HB2 LEU 37 HB2 LEU 37 -10.343 -2.443 5.781 300 HB3 LEU 37 HB3 LEU 37 -11.213 -1.233 4.860 301 HG LEU 37 HG LEU 37 -9.923 -3.703 3.698 302 HD11 LEU 37 HD11 LEU 37 -11.854 -4.247 5.077 303 HD12 LEU 37 HD12 LEU 37 -12.217 -4.482 3.368 304 HD13 LEU 37 HD13 LEU 37 -12.823 -3.057 4.210 305 HD21 LEU 37 HD21 LEU 37 -11.126 -3.087 1.656 306 HD22 LEU 37 HD22 LEU 37 -9.964 -1.844 2.124 307 HD23 LEU 37 HD23 LEU 37 -11.683 -1.605 2.434 308 H GLN 38 H GLN 38 -8.296 -1.406 7.017 309 HA GLN 38 HA GLN 38 -9.234 1.156 7.947 310 HB2 GLN 38 HB2 GLN 38 -9.239 -0.785 9.441 311 HB3 GLN 38 HB3 GLN 38 -7.493 -0.921 9.290 312 HG2 GLN 38 HG2 GLN 38 -7.228 1.254 10.363 313 HG3 GLN 38 HG3 GLN 38 -8.978 1.397 10.508 314 HE21 GLN 38 HE21 GLN 38 -10.072 0.119 11.999 315 HE22 GLN 38 HE22 GLN 38 -9.255 -0.698 13.284 316 H ARG 39 H ARG 39 -6.105 -0.339 7.272 317 HA ARG 39 HA ARG 39 -4.424 1.680 7.935 318 HB2 ARG 39 HB2 ARG 39 -4.087 -0.729 6.898 319 HB3 ARG 39 HB3 ARG 39 -3.874 0.196 5.417 320 HG2 ARG 39 HG2 ARG 39 -1.727 -0.023 6.214 321 HG3 ARG 39 HG3 ARG 39 -2.203 1.579 6.778 322 HD2 ARG 39 HD2 ARG 39 -2.389 -0.932 8.432 323 HD3 ARG 39 HD3 ARG 39 -1.038 0.192 8.488 324 HE ARG 39 HE ARG 39 -3.232 1.743 8.960 325 HH11 ARG 39 HH11 ARG 39 -1.880 -1.118 10.418 326 HH12 ARG 39 HH12 ARG 39 -2.478 -0.750 12.001 327 HH21 ARG 39 HH21 ARG 39 -4.024 2.236 11.039 328 HH22 ARG 39 HH22 ARG 39 -3.698 1.156 12.354 329 H CYS 40 H CYS 40 -5.935 1.226 4.781 330 HA CYS 40 HA CYS 40 -4.726 3.352 3.412 331 HB2 CYS 40 HB2 CYS 40 -6.451 3.107 1.766 332 HB3 CYS 40 HB3 CYS 40 -6.041 1.500 2.355 333 HG CYS 40 HG CYS 40 -8.531 2.763 4.116 334 H ALA 41 H ALA 41 -7.581 3.274 5.486 335 HA ALA 41 HA ALA 41 -8.688 5.650 5.083 336 HB1 ALA 41 HB1 ALA 41 -8.064 4.606 7.841 337 HB2 ALA 41 HB2 ALA 41 -9.409 4.087 6.827 338 HB3 ALA 41 HB3 ALA 41 -9.341 5.747 7.420 339 H GLN 42 H GLN 42 -5.594 5.268 6.781 340 HA GLN 42 HA GLN 42 -5.367 8.063 7.199 341 HB2 GLN 42 HB2 GLN 42 -3.329 5.855 7.519 342 HB3 GLN 42 HB3 GLN 42 -3.135 7.500 8.110 343 HG2 GLN 42 HG2 GLN 42 -5.067 7.205 9.573 344 HG3 GLN 42 HG3 GLN 42 -5.265 5.558 8.979 345 HE21 GLN 42 HE21 GLN 42 -3.797 3.974 9.600 346 HE22 GLN 42 HE22 GLN 42 -2.726 4.188 10.939 347 H LYS 43 H LYS 43 -4.853 6.247 4.491 348 HA LYS 43 HA LYS 43 -2.544 7.379 3.388 349 HB2 LYS 43 HB2 LYS 43 -3.120 5.559 2.181 350 HB3 LYS 43 HB3 LYS 43 -4.833 5.778 2.485 351 HG2 LYS 43 HG2 LYS 43 -4.590 5.991 0.173 352 HG3 LYS 43 HG3 LYS 43 -4.729 7.650 0.754 353 HD2 LYS 43 HD2 LYS 43 -2.406 8.025 0.511 354 HD3 LYS 43 HD3 LYS 43 -2.079 6.303 0.305 355 HE2 LYS 43 HE2 LYS 43 -3.054 6.277 -1.839 356 HE3 LYS 43 HE3 LYS 43 -3.777 7.871 -1.614 357 HZ1 LYS 43 HZ1 LYS 43 -0.880 7.271 -1.869 358 HZ2 LYS 43 HZ2 LYS 43 -1.525 8.805 -1.563 359 HZ3 LYS 43 HZ3 LYS 43 -1.855 8.027 -3.027 360 H SER 44 H SER 44 -5.719 8.642 3.781 361 HA SER 44 HA SER 44 -5.000 11.250 3.064 362 HB2 SER 44 HB2 SER 44 -6.342 11.537 0.998 363 HB3 SER 44 HB3 SER 44 -4.987 10.434 0.762 364 HG SER 44 HG SER 44 -7.686 9.959 0.633 365 HA PRO 45 HA PRO 45 -8.522 11.377 5.900 366 HB2 PRO 45 HB2 PRO 45 -8.214 14.268 5.213 367 HB3 PRO 45 HB3 PRO 45 -8.411 13.502 6.795 368 HG2 PRO 45 HG2 PRO 45 -6.026 14.375 6.009 369 HG3 PRO 45 HG3 PRO 45 -6.185 12.856 6.908 370 HD2 PRO 45 HD2 PRO 45 -5.656 13.297 4.009 371 HD3 PRO 45 HD3 PRO 45 -5.074 12.007 5.081 372 H ARG 46 H ARG 46 -8.448 13.496 3.032 373 HA ARG 46 HA ARG 46 -10.888 13.992 2.455 374 HB2 ARG 46 HB2 ARG 46 -9.099 12.698 0.393 375 HB3 ARG 46 HB3 ARG 46 -10.512 13.682 0.037 376 HG2 ARG 46 HG2 ARG 46 -8.049 14.635 1.485 377 HG3 ARG 46 HG3 ARG 46 -8.416 14.925 -0.216 378 HD2 ARG 46 HD2 ARG 46 -10.434 16.145 0.424 379 HD3 ARG 46 HD3 ARG 46 -10.085 15.842 2.126 380 HE ARG 46 HE ARG 46 -7.875 17.117 0.963 381 HH11 ARG 46 HH11 ARG 46 -11.183 17.778 1.835 382 HH12 ARG 46 HH12 ARG 46 -10.912 19.468 2.096 383 HH21 ARG 46 HH21 ARG 46 -7.509 19.342 1.304 384 HH22 ARG 46 HH22 ARG 46 -8.824 20.357 1.794 385 H VAL 47 H VAL 47 -9.724 10.674 2.304 386 HA VAL 47 HA VAL 47 -11.757 9.397 1.039 387 HB VAL 47 HB VAL 47 -11.337 7.418 2.412 388 HG11 VAL 47 HG11 VAL 47 -9.749 7.792 0.687 389 HG12 VAL 47 HG12 VAL 47 -8.840 7.311 2.120 390 HG13 VAL 47 HG13 VAL 47 -8.899 9.006 1.640 391 HG21 VAL 47 HG21 VAL 47 -11.238 8.391 4.609 392 HG22 VAL 47 HG22 VAL 47 -9.793 9.306 4.185 393 HG23 VAL 47 HG23 VAL 47 -9.722 7.548 4.294 394 H ALA 48 H ALA 48 -13.865 8.953 1.379 395 HA ALA 48 HA ALA 48 -15.157 10.134 3.667 396 HB1 ALA 48 HB1 ALA 48 -17.238 9.577 2.529 397 HB2 ALA 48 HB2 ALA 48 -16.346 8.623 1.344 398 HB3 ALA 48 HB3 ALA 48 -16.113 10.369 1.427 399 HA PRO 49 HA PRO 49 -15.538 6.559 6.231 400 HB2 PRO 49 HB2 PRO 49 -18.284 7.448 6.871 401 HB3 PRO 49 HB3 PRO 49 -16.898 7.217 7.942 402 HG2 PRO 49 HG2 PRO 49 -17.773 9.666 7.312 403 HG3 PRO 49 HG3 PRO 49 -16.044 9.324 7.510 404 HD2 PRO 49 HD2 PRO 49 -17.641 9.638 4.996 405 HD3 PRO 49 HD3 PRO 49 -16.005 10.221 5.374 406 H GLY 50 H GLY 50 -16.443 4.507 6.248 407 HA2 GLY 50 HA2 GLY 50 -17.498 2.675 5.362 408 HA3 GLY 50 HA3 GLY 50 -18.849 3.761 5.076 409 H SER 51 H SER 51 -15.649 4.021 3.623 410 HA SER 51 HA SER 51 -16.908 3.656 0.991 411 HB2 SER 51 HB2 SER 51 -15.002 4.914 0.083 412 HB3 SER 51 HB3 SER 51 -15.820 5.836 1.344 413 HG SER 51 HG SER 51 -14.022 4.491 2.617 414 H ALA 52 H ALA 52 -15.828 2.429 -0.622 415 HA ALA 52 HA ALA 52 -13.669 0.678 0.293 416 HB1 ALA 52 HB1 ALA 52 -16.212 -0.368 -0.948 417 HB2 ALA 52 HB2 ALA 52 -15.742 -0.544 0.743 418 HB3 ALA 52 HB3 ALA 52 -14.791 -1.323 -0.522 419 HA PRO 53 HA PRO 53 -12.867 2.410 -3.935 420 HB2 PRO 53 HB2 PRO 53 -10.093 1.999 -2.981 421 HB3 PRO 53 HB3 PRO 53 -10.827 3.423 -3.727 422 HG2 PRO 53 HG2 PRO 53 -10.245 3.379 -1.121 423 HG3 PRO 53 HG3 PRO 53 -11.705 4.184 -1.725 424 HD2 PRO 53 HD2 PRO 53 -11.422 1.519 -0.393 425 HD3 PRO 53 HD3 PRO 53 -12.681 2.754 -0.186 426 HA PRO 54 HA PRO 54 -12.093 -1.437 -5.958 427 HB2 PRO 54 HB2 PRO 54 -10.290 -0.028 -7.832 428 HB3 PRO 54 HB3 PRO 54 -11.777 -0.922 -8.159 429 HG2 PRO 54 HG2 PRO 54 -11.700 1.749 -8.302 430 HG3 PRO 54 HG3 PRO 54 -13.130 0.893 -7.695 431 HD2 PRO 54 HD2 PRO 54 -10.991 2.329 -6.174 432 HD3 PRO 54 HD3 PRO 54 -12.742 2.281 -5.886 433 H TRP 55 H TRP 55 -10.846 -2.576 -4.475 434 HA TRP 55 HA TRP 55 -7.961 -2.230 -4.657 435 HB2 TRP 55 HB2 TRP 55 -9.798 -3.305 -2.588 436 HB3 TRP 55 HB3 TRP 55 -8.162 -3.963 -2.649 437 HD1 TRP 55 HD1 TRP 55 -9.502 -0.334 -2.983 438 HE1 TRP 55 HE1 TRP 55 -8.116 1.171 -1.424 439 HE3 TRP 55 HE3 TRP 55 -6.470 -3.893 -0.884 440 HZ2 TRP 55 HZ2 TRP 55 -6.015 0.885 0.437 441 HZ3 TRP 55 HZ3 TRP 55 -4.821 -3.176 0.772 442 HH2 TRP 55 HH2 TRP 55 -4.606 -0.850 1.432 443 HA PRO 56 HA PRO 56 -9.029 -6.969 -5.856 444 HB2 PRO 56 HB2 PRO 56 -10.339 -5.931 -8.331 445 HB3 PRO 56 HB3 PRO 56 -10.651 -7.422 -7.436 446 HG2 PRO 56 HG2 PRO 56 -12.308 -5.357 -7.227 447 HG3 PRO 56 HG3 PRO 56 -11.900 -6.339 -5.807 448 HD2 PRO 56 HD2 PRO 56 -10.954 -3.615 -6.565 449 HD3 PRO 56 HD3 PRO 56 -11.275 -4.294 -4.957 450 H ALA 57 H ALA 57 -8.070 -4.034 -7.388 451 HA ALA 57 HA ALA 57 -6.587 -4.976 -9.544 452 HB1 ALA 57 HB1 ALA 57 -6.007 -2.570 -7.823 453 HB2 ALA 57 HB2 ALA 57 -7.119 -2.613 -9.191 454 HB3 ALA 57 HB3 ALA 57 -5.392 -2.857 -9.451 455 H LEU 58 H LEU 58 -6.078 -5.552 -6.282 456 HA LEU 58 HA LEU 58 -3.305 -5.386 -5.941 457 HB2 LEU 58 HB2 LEU 58 -5.535 -6.812 -4.660 458 HB3 LEU 58 HB3 LEU 58 -3.969 -7.581 -4.479 459 HG LEU 58 HG LEU 58 -4.598 -4.734 -3.693 460 HD11 LEU 58 HD11 LEU 58 -4.379 -5.588 -1.396 461 HD12 LEU 58 HD12 LEU 58 -4.251 -7.224 -2.042 462 HD13 LEU 58 HD13 LEU 58 -5.741 -6.308 -2.256 463 HD21 LEU 58 HD21 LEU 58 -2.141 -6.429 -3.252 464 HD22 LEU 58 HD22 LEU 58 -2.406 -4.807 -2.609 465 HD23 LEU 58 HD23 LEU 58 -2.268 -5.056 -4.350 466 H ARG 59 H ARG 59 -5.263 -8.224 -6.857 467 HA ARG 59 HA ARG 59 -3.216 -9.997 -7.360 468 HB2 ARG 59 HB2 ARG 59 -5.825 -9.715 -8.867 469 HB3 ARG 59 HB3 ARG 59 -4.784 -11.132 -8.905 470 HG2 ARG 59 HG2 ARG 59 -5.142 -11.487 -6.529 471 HG3 ARG 59 HG3 ARG 59 -6.142 -10.034 -6.452 472 HD2 ARG 59 HD2 ARG 59 -7.736 -11.046 -8.003 473 HD3 ARG 59 HD3 ARG 59 -6.729 -12.490 -8.105 474 HE ARG 59 HE ARG 59 -7.384 -11.989 -5.414 475 HH11 ARG 59 HH11 ARG 59 -8.843 -13.053 -8.394 476 HH12 ARG 59 HH12 ARG 59 -10.050 -14.014 -7.609 477 HH21 ARG 59 HH21 ARG 59 -8.969 -13.252 -4.372 478 HH22 ARG 59 HH22 ARG 59 -10.123 -14.127 -5.323 479 H SER 60 H SER 60 -4.575 -7.539 -9.515 480 HA SER 60 HA SER 60 -3.045 -8.101 -11.731 481 HB2 SER 60 HB2 SER 60 -4.941 -6.537 -11.763 482 HB3 SER 60 HB3 SER 60 -4.006 -5.376 -10.823 483 HG SER 60 HG SER 60 -3.811 -6.067 -13.505 484 H LEU 61 H LEU 61 -2.218 -6.151 -8.912 485 HA LEU 61 HA LEU 61 0.228 -5.143 -10.051 486 HB2 LEU 61 HB2 LEU 61 -1.049 -5.018 -7.352 487 HB3 LEU 61 HB3 LEU 61 0.662 -4.658 -7.510 488 HG LEU 61 HG LEU 61 -0.228 -3.049 -9.427 489 HD11 LEU 61 HD11 LEU 61 -2.551 -3.216 -7.517 490 HD12 LEU 61 HD12 LEU 61 -2.557 -3.715 -9.209 491 HD13 LEU 61 HD13 LEU 61 -2.341 -2.016 -8.792 492 HD21 LEU 61 HD21 LEU 61 -0.306 -2.451 -6.477 493 HD22 LEU 61 HD22 LEU 61 -0.244 -1.245 -7.763 494 HD23 LEU 61 HD23 LEU 61 1.102 -2.361 -7.534 495 H LEU 62 H LEU 62 -0.728 -7.781 -7.901 496 HA LEU 62 HA LEU 62 1.774 -8.688 -7.148 497 HB2 LEU 62 HB2 LEU 62 -0.757 -9.481 -6.698 498 HB3 LEU 62 HB3 LEU 62 -0.293 -10.705 -7.862 499 HG LEU 62 HG LEU 62 0.176 -11.769 -5.884 500 HD11 LEU 62 HD11 LEU 62 2.200 -11.747 -7.245 501 HD12 LEU 62 HD12 LEU 62 2.578 -11.799 -5.523 502 HD13 LEU 62 HD13 LEU 62 2.744 -10.289 -6.416 503 HD21 LEU 62 HD21 LEU 62 -0.365 -9.701 -4.537 504 HD22 LEU 62 HD22 LEU 62 1.347 -9.290 -4.651 505 HD23 LEU 62 HD23 LEU 62 0.849 -10.779 -3.852 506 H HIS 63 H HIS 63 -0.165 -9.326 -10.002 507 HA HIS 63 HA HIS 63 1.539 -11.041 -11.321 508 HB2 HIS 63 HB2 HIS 63 -0.778 -10.555 -12.014 509 HB3 HIS 63 HB3 HIS 63 -0.287 -8.942 -12.514 510 HD1 HIS 63 HD1 HIS 63 -0.313 -12.481 -13.609 511 HD2 HIS 63 HD2 HIS 63 1.270 -8.862 -14.898 512 HE1 HIS 63 HE1 HIS 63 0.412 -12.873 -15.985 513 HE2 HIS 63 HE2 HIS 63 1.291 -10.646 -16.771 514 H ARG 64 H ARG 64 1.580 -7.556 -11.046 515 HA ARG 64 HA ARG 64 3.728 -7.214 -12.911 516 HB2 ARG 64 HB2 ARG 64 2.574 -5.301 -10.870 517 HB3 ARG 64 HB3 ARG 64 3.669 -4.869 -12.175 518 HG2 ARG 64 HG2 ARG 64 0.940 -6.061 -12.590 519 HG3 ARG 64 HG3 ARG 64 1.287 -4.333 -12.617 520 HD2 ARG 64 HD2 ARG 64 2.858 -4.690 -14.469 521 HD3 ARG 64 HD3 ARG 64 2.484 -6.412 -14.445 522 HE ARG 64 HE ARG 64 0.097 -4.977 -14.751 523 HH11 ARG 64 HH11 ARG 64 3.015 -5.702 -16.509 524 HH12 ARG 64 HH12 ARG 64 2.263 -5.573 -18.065 525 HH21 ARG 64 HH21 ARG 64 -0.902 -4.804 -16.794 526 HH22 ARG 64 HH22 ARG 64 0.037 -5.062 -18.226 527 H ASN 65 H ASN 65 3.485 -8.205 -9.701 528 HA ASN 65 HA ASN 65 5.105 -8.934 -8.264 529 HB2 ASN 65 HB2 ASN 65 7.097 -7.811 -10.245 530 HB3 ASN 65 HB3 ASN 65 7.488 -8.802 -8.843 531 HD21 ASN 65 HD21 ASN 65 5.130 -10.492 -9.188 532 HD22 ASN 65 HD22 ASN 65 5.482 -11.530 -10.524 533 H LEU 66 H LEU 66 3.881 -6.202 -8.396 534 HA LEU 66 HA LEU 66 5.943 -4.532 -7.163 535 HB2 LEU 66 HB2 LEU 66 3.049 -3.799 -7.429 536 HB3 LEU 66 HB3 LEU 66 4.424 -2.736 -7.253 537 HG LEU 66 HG LEU 66 3.393 -4.092 -9.705 538 HD11 LEU 66 HD11 LEU 66 3.768 -1.896 -10.665 539 HD12 LEU 66 HD12 LEU 66 4.511 -1.352 -9.161 540 HD13 LEU 66 HD13 LEU 66 2.797 -1.773 -9.197 541 HD21 LEU 66 HD21 LEU 66 5.719 -4.830 -9.593 542 HD22 LEU 66 HD22 LEU 66 6.238 -3.163 -9.356 543 HD23 LEU 66 HD23 LEU 66 5.489 -3.644 -10.876 544 H VAL 67 H VAL 67 3.266 -6.540 -6.404 545 HA VAL 67 HA VAL 67 3.666 -5.988 -3.539 546 HB VAL 67 HB VAL 67 1.274 -6.796 -3.269 547 HG11 VAL 67 HG11 VAL 67 0.310 -4.627 -3.819 548 HG12 VAL 67 HG12 VAL 67 1.699 -4.256 -4.840 549 HG13 VAL 67 HG13 VAL 67 1.907 -4.435 -3.097 550 HG21 VAL 67 HG21 VAL 67 1.120 -6.217 -6.218 551 HG22 VAL 67 HG22 VAL 67 -0.192 -6.740 -5.159 552 HG23 VAL 67 HG23 VAL 67 1.143 -7.834 -5.519 553 H LEU 68 H LEU 68 3.012 -7.895 -2.145 554 HA LEU 68 HA LEU 68 3.868 -10.398 -3.452 555 HB2 LEU 68 HB2 LEU 68 5.501 -9.336 -1.822 556 HB3 LEU 68 HB3 LEU 68 4.327 -9.673 -0.567 557 HG LEU 68 HG LEU 68 4.481 -12.098 -1.139 558 HD11 LEU 68 HD11 LEU 68 6.387 -12.857 -2.468 559 HD12 LEU 68 HD12 LEU 68 6.786 -11.182 -2.854 560 HD13 LEU 68 HD13 LEU 68 5.273 -11.884 -3.429 561 HD21 LEU 68 HD21 LEU 68 7.060 -10.754 -0.344 562 HD22 LEU 68 HD22 LEU 68 6.637 -12.440 -0.049 563 HD23 LEU 68 HD23 LEU 68 5.721 -11.152 0.734 564 H ARG 69 H ARG 69 2.783 -12.285 -2.900 565 HA ARG 69 HA ARG 69 0.315 -11.883 -1.339 566 HB2 ARG 69 HB2 ARG 69 -0.508 -13.936 -2.626 567 HB3 ARG 69 HB3 ARG 69 -0.430 -12.406 -3.492 568 HG2 ARG 69 HG2 ARG 69 1.403 -13.060 -4.737 569 HG3 ARG 69 HG3 ARG 69 1.846 -14.338 -3.603 570 HD2 ARG 69 HD2 ARG 69 -0.133 -15.606 -4.252 571 HD3 ARG 69 HD3 ARG 69 -0.601 -14.322 -5.367 572 HE ARG 69 HE ARG 69 1.999 -15.203 -5.992 573 HH11 ARG 69 HH11 ARG 69 -1.316 -16.270 -6.129 574 HH12 ARG 69 HH12 ARG 69 -1.066 -17.291 -7.505 575 HH21 ARG 69 HH21 ARG 69 2.337 -16.546 -7.807 576 HH22 ARG 69 HH22 ARG 69 1.008 -17.448 -8.458 577 H THR 70 H THR 70 -0.272 -13.419 0.182 578 HA THR 70 HA THR 70 1.693 -15.537 0.662 579 HB THR 70 HB THR 70 0.069 -14.257 2.843 580 HG1 THR 70 HG1 THR 70 2.589 -13.399 1.808 581 HG21 THR 70 HG21 THR 70 2.386 -14.818 3.973 582 HG22 THR 70 HG22 THR 70 2.503 -15.966 2.639 583 HG23 THR 70 HG23 THR 70 1.155 -16.061 3.772 584 H HIS 71 H HIS 71 0.696 -17.052 2.474 585 HA HIS 71 HA HIS 71 -0.620 -19.058 1.664 586 HB2 HIS 71 HB2 HIS 71 -0.396 -17.784 4.172 587 HB3 HIS 71 HB3 HIS 71 -2.033 -18.405 4.059 588 HD1 HIS 71 HD1 HIS 71 -2.050 -21.097 3.276 589 HD2 HIS 71 HD2 HIS 71 1.374 -19.562 5.062 590 HE1 HIS 71 HE1 HIS 71 -0.771 -23.100 4.101 591 HE2 HIS 71 HE2 HIS 71 1.266 -22.145 5.239 592 H GLN 72 H GLN 72 -2.887 -16.772 3.240 593 HA GLN 72 HA GLN 72 -4.585 -15.723 1.487 594 HB2 GLN 72 HB2 GLN 72 -4.637 -17.746 0.126 595 HB3 GLN 72 HB3 GLN 72 -5.144 -18.690 1.522 596 HG2 GLN 72 HG2 GLN 72 -7.233 -17.462 1.622 597 HG3 GLN 72 HG3 GLN 72 -6.719 -16.451 0.271 598 HE21 GLN 72 HE21 GLN 72 -6.668 -17.311 -1.798 599 HE22 GLN 72 HE22 GLN 72 -7.482 -18.780 -2.206 600 HA PRO 73 HA PRO 73 -6.413 -14.221 1.883 601 HB2 PRO 73 HB2 PRO 73 -5.715 -12.635 4.312 602 HB3 PRO 73 HB3 PRO 73 -6.986 -12.358 3.116 603 HG2 PRO 73 HG2 PRO 73 -7.587 -13.338 5.508 604 HG3 PRO 73 HG3 PRO 73 -8.397 -13.946 4.052 605 HD2 PRO 73 HD2 PRO 73 -6.239 -15.203 5.687 606 HD3 PRO 73 HD3 PRO 73 -7.610 -15.960 4.853 607 H ALA 74 H ALA 74 -4.774 -13.552 0.590 608 HA ALA 74 HA ALA 74 -2.106 -14.357 1.178 609 HB1 ALA 74 HB1 ALA 74 -1.575 -13.298 -0.950 610 HB2 ALA 74 HB2 ALA 74 -3.196 -12.608 -1.019 611 HB3 ALA 74 HB3 ALA 74 -2.977 -14.357 -1.101 612 H ARG 75 H ARG 75 -1.014 -13.317 2.719 613 HA ARG 75 HA ARG 75 -1.502 -10.627 3.518 614 HB2 ARG 75 HB2 ARG 75 1.066 -12.204 3.831 615 HB3 ARG 75 HB3 ARG 75 0.542 -10.837 4.801 616 HG2 ARG 75 HG2 ARG 75 -1.001 -12.080 5.972 617 HG3 ARG 75 HG3 ARG 75 -1.160 -13.284 4.693 618 HD2 ARG 75 HD2 ARG 75 0.805 -14.373 5.299 619 HD3 ARG 75 HD3 ARG 75 1.426 -12.970 6.176 620 HE ARG 75 HE ARG 75 -0.958 -13.991 7.355 621 HH11 ARG 75 HH11 ARG 75 2.477 -14.526 7.095 622 HH12 ARG 75 HH12 ARG 75 2.592 -15.357 8.610 623 HH21 ARG 75 HH21 ARG 75 -0.816 -15.084 9.346 624 HH22 ARG 75 HH22 ARG 75 0.719 -15.676 9.890 625 H TYR 76 H TYR 76 -1.010 -8.823 2.329 626 HA TYR 76 HA TYR 76 0.898 -9.124 0.233 627 HB2 TYR 76 HB2 TYR 76 -1.044 -6.920 0.882 628 HB3 TYR 76 HB3 TYR 76 0.013 -6.913 -0.529 629 HD1 TYR 76 HD1 TYR 76 -0.157 -8.951 -2.116 630 HD2 TYR 76 HD2 TYR 76 -3.138 -7.961 0.755 631 HE1 TYR 76 HE1 TYR 76 -1.787 -10.315 -3.356 632 HE2 TYR 76 HE2 TYR 76 -4.781 -9.319 -0.473 633 HH TYR 76 HH TYR 76 -5.124 -10.176 -2.759 634 H SER 77 H SER 77 2.680 -7.937 -0.207 635 HA SER 77 HA SER 77 3.680 -6.124 1.790 636 HB2 SER 77 HB2 SER 77 4.512 -8.252 2.669 637 HB3 SER 77 HB3 SER 77 5.212 -8.641 1.097 638 HG SER 77 HG SER 77 6.882 -7.497 1.624 639 H LEU 78 H LEU 78 4.880 -4.562 0.887 640 HA LEU 78 HA LEU 78 4.972 -4.169 -1.848 641 HB2 LEU 78 HB2 LEU 78 6.503 -3.011 0.434 642 HB3 LEU 78 HB3 LEU 78 6.993 -2.619 -1.199 643 HG LEU 78 HG LEU 78 4.357 -1.998 0.109 644 HD11 LEU 78 HD11 LEU 78 5.022 0.274 -0.166 645 HD12 LEU 78 HD12 LEU 78 6.432 -0.198 -1.111 646 HD13 LEU 78 HD13 LEU 78 6.353 -0.585 0.607 647 HD21 LEU 78 HD21 LEU 78 3.863 -2.627 -2.153 648 HD22 LEU 78 HD22 LEU 78 5.215 -1.672 -2.759 649 HD23 LEU 78 HD23 LEU 78 3.820 -0.868 -2.042 650 H THR 79 H THR 79 6.062 -5.372 -3.362 651 HA THR 79 HA THR 79 8.517 -6.642 -2.713 652 HB THR 79 HB THR 79 8.130 -6.611 -5.533 653 HG1 THR 79 HG1 THR 79 5.905 -7.425 -5.488 654 HG21 THR 79 HG21 THR 79 7.637 -8.977 -5.221 655 HG22 THR 79 HG22 THR 79 7.363 -8.709 -3.500 656 HG23 THR 79 HG23 THR 79 8.976 -8.498 -4.178 657 HA PRO 80 HA PRO 80 11.845 -4.047 -4.164 658 HB2 PRO 80 HB2 PRO 80 11.647 -5.185 -6.931 659 HB3 PRO 80 HB3 PRO 80 13.083 -4.834 -5.966 660 HG2 PRO 80 HG2 PRO 80 12.189 -7.321 -6.152 661 HG3 PRO 80 HG3 PRO 80 12.783 -6.697 -4.602 662 HD2 PRO 80 HD2 PRO 80 10.000 -7.237 -5.484 663 HD3 PRO 80 HD3 PRO 80 10.704 -7.305 -3.856 664 H GLU 81 H GLU 81 9.532 -4.334 -6.897 665 HA GLU 81 HA GLU 81 10.068 -1.674 -7.813 666 HB2 GLU 81 HB2 GLU 81 7.765 -3.526 -8.445 667 HB3 GLU 81 HB3 GLU 81 8.139 -2.034 -9.295 668 HG2 GLU 81 HG2 GLU 81 10.302 -2.990 -9.973 669 HG3 GLU 81 HG3 GLU 81 9.857 -4.498 -9.175 670 H GLY 82 H GLY 82 7.595 -3.179 -5.763 671 HA2 GLY 82 HA2 GLY 82 5.858 -0.889 -5.692 672 HA3 GLY 82 HA3 GLY 82 5.834 -2.248 -4.587 673 H LEU 83 H LEU 83 8.757 -1.881 -4.080 674 HA LEU 83 HA LEU 83 8.442 -0.203 -1.767 675 HB2 LEU 83 HB2 LEU 83 10.128 -2.289 -2.484 676 HB3 LEU 83 HB3 LEU 83 11.175 -0.886 -2.510 677 HG LEU 83 HG LEU 83 11.322 -1.928 -0.348 678 HD11 LEU 83 HD11 LEU 83 11.435 0.493 -0.343 679 HD12 LEU 83 HD12 LEU 83 10.628 -0.088 1.115 680 HD13 LEU 83 HD13 LEU 83 9.679 0.594 -0.207 681 HD21 LEU 83 HD21 LEU 83 9.397 -2.206 1.103 682 HD22 LEU 83 HD22 LEU 83 9.175 -3.103 -0.399 683 HD23 LEU 83 HD23 LEU 83 8.339 -1.569 -0.154 684 H GLU 84 H GLU 84 10.649 -0.128 -4.562 685 HA GLU 84 HA GLU 84 11.571 2.370 -4.328 686 HB2 GLU 84 HB2 GLU 84 10.798 1.050 -6.936 687 HB3 GLU 84 HB3 GLU 84 11.859 2.444 -6.796 688 HG2 GLU 84 HG2 GLU 84 13.440 1.114 -5.500 689 HG3 GLU 84 HG3 GLU 84 12.372 -0.278 -5.638 690 H LEU 85 H LEU 85 8.540 1.528 -5.952 691 HA LEU 85 HA LEU 85 7.958 4.167 -6.868 692 HB2 LEU 85 HB2 LEU 85 6.737 1.533 -6.912 693 HB3 LEU 85 HB3 LEU 85 5.569 2.781 -6.547 694 HG LEU 85 HG LEU 85 7.368 2.750 -8.970 695 HD11 LEU 85 HD11 LEU 85 5.329 2.251 -10.221 696 HD12 LEU 85 HD12 LEU 85 4.426 2.145 -8.709 697 HD13 LEU 85 HD13 LEU 85 5.700 0.978 -9.058 698 HD21 LEU 85 HD21 LEU 85 6.781 5.008 -8.247 699 HD22 LEU 85 HD22 LEU 85 5.073 4.567 -8.234 700 HD23 LEU 85 HD23 LEU 85 5.967 4.592 -9.755 701 H ALA 86 H ALA 86 7.208 2.215 -4.012 702 HA ALA 86 HA ALA 86 5.190 3.869 -2.906 703 HB1 ALA 86 HB1 ALA 86 7.161 2.062 -1.518 704 HB2 ALA 86 HB2 ALA 86 5.561 1.608 -2.108 705 HB3 ALA 86 HB3 ALA 86 5.719 2.767 -0.790 706 H GLN 87 H GLN 87 8.727 3.945 -2.710 707 HA GLN 87 HA GLN 87 8.919 5.856 -0.608 708 HB2 GLN 87 HB2 GLN 87 10.794 5.238 -2.905 709 HB3 GLN 87 HB3 GLN 87 11.189 6.295 -1.557 710 HG2 GLN 87 HG2 GLN 87 10.941 4.426 -0.012 711 HG3 GLN 87 HG3 GLN 87 10.527 3.366 -1.357 712 HE21 GLN 87 HE21 GLN 87 13.058 5.129 0.236 713 HE22 GLN 87 HE22 GLN 87 14.380 4.372 -0.580 714 H LYS 88 H LYS 88 8.778 6.063 -4.124 715 HA LYS 88 HA LYS 88 8.777 8.796 -4.334 716 HB2 LYS 88 HB2 LYS 88 7.230 6.990 -6.184 717 HB3 LYS 88 HB3 LYS 88 8.070 8.482 -6.572 718 HG2 LYS 88 HG2 LYS 88 10.214 7.406 -6.182 719 HG3 LYS 88 HG3 LYS 88 9.397 5.923 -5.708 720 HD2 LYS 88 HD2 LYS 88 8.360 5.882 -7.999 721 HD3 LYS 88 HD3 LYS 88 9.447 7.204 -8.431 722 HE2 LYS 88 HE2 LYS 88 11.373 5.790 -7.852 723 HE3 LYS 88 HE3 LYS 88 10.278 4.466 -7.453 724 HZ1 LYS 88 HZ1 LYS 88 11.190 4.226 -9.675 725 HZ2 LYS 88 HZ2 LYS 88 10.559 5.728 -10.129 726 HZ3 LYS 88 HZ3 LYS 88 9.516 4.454 -9.745 727 H LEU 89 H LEU 89 5.985 6.622 -4.063 728 HA LEU 89 HA LEU 89 3.962 8.574 -4.459 729 HB2 LEU 89 HB2 LEU 89 4.073 5.840 -3.220 730 HB3 LEU 89 HB3 LEU 89 2.619 6.811 -3.120 731 HG LEU 89 HG LEU 89 2.475 6.863 -5.564 732 HD11 LEU 89 HD11 LEU 89 4.811 4.975 -5.568 733 HD12 LEU 89 HD12 LEU 89 4.903 6.679 -6.011 734 HD13 LEU 89 HD13 LEU 89 3.919 5.572 -6.967 735 HD21 LEU 89 HD21 LEU 89 1.844 4.550 -5.900 736 HD22 LEU 89 HD22 LEU 89 1.368 5.074 -4.285 737 HD23 LEU 89 HD23 LEU 89 2.797 4.064 -4.498 738 H ALA 90 H ALA 90 5.902 7.498 -1.806 739 HA ALA 90 HA ALA 90 4.457 8.742 0.252 740 HB1 ALA 90 HB1 ALA 90 6.410 8.322 1.634 741 HB2 ALA 90 HB2 ALA 90 7.380 8.013 0.193 742 HB3 ALA 90 HB3 ALA 90 6.057 6.927 0.614 743 H GLU 91 H GLU 91 7.006 9.908 -1.832 744 HA GLU 91 HA GLU 91 7.826 12.166 -0.501 745 HB2 GLU 91 HB2 GLU 91 7.311 12.198 -3.468 746 HB3 GLU 91 HB3 GLU 91 8.556 13.062 -2.574 747 HG2 GLU 91 HG2 GLU 91 9.674 10.973 -2.070 748 HG3 GLU 91 HG3 GLU 91 8.400 10.090 -2.909 749 H SER 92 H SER 92 5.102 11.892 -2.739 750 HA SER 92 HA SER 92 4.118 14.430 -2.543 751 HB2 SER 92 HB2 SER 92 3.337 12.744 -4.150 752 HB3 SER 92 HB3 SER 92 2.526 11.877 -2.848 753 HG SER 92 HG SER 92 1.723 14.090 -4.227 754 H GLU 93 H GLU 93 3.929 11.925 -0.157 755 HA GLU 93 HA GLU 93 1.745 13.250 1.289 756 HB2 GLU 93 HB2 GLU 93 3.186 10.735 2.111 757 HB3 GLU 93 HB3 GLU 93 1.609 11.304 2.630 758 HG2 GLU 93 HG2 GLU 93 2.222 10.448 -0.179 759 HG3 GLU 93 HG3 GLU 93 1.589 9.370 1.063 760 H GLY 94 H GLY 94 5.073 13.257 0.995 761 HA2 GLY 94 HA2 GLY 94 6.492 14.762 2.173 762 HA3 GLY 94 HA3 GLY 94 5.302 14.818 3.473 763 H LEU 95 H LEU 95 5.392 11.735 2.495 764 HA LEU 95 HA LEU 95 6.242 9.790 3.265 765 HB2 LEU 95 HB2 LEU 95 8.437 11.324 2.650 766 HB3 LEU 95 HB3 LEU 95 8.761 10.843 4.305 767 HG LEU 95 HG LEU 95 8.447 9.105 1.877 768 HD11 LEU 95 HD11 LEU 95 10.670 9.947 2.372 769 HD12 LEU 95 HD12 LEU 95 10.587 8.205 2.633 770 HD13 LEU 95 HD13 LEU 95 10.563 9.305 4.011 771 HD21 LEU 95 HD21 LEU 95 8.540 7.152 3.397 772 HD22 LEU 95 HD22 LEU 95 7.037 8.067 3.525 773 HD23 LEU 95 HD23 LEU 95 8.286 8.242 4.761 774 H SER 96 H SER 96 4.660 11.375 4.967 775 HA SER 96 HA SER 96 5.893 11.135 7.620 776 HB2 SER 96 HB2 SER 96 3.361 12.545 6.737 777 HB3 SER 96 HB3 SER 96 3.940 12.464 8.402 778 HG SER 96 HG SER 96 4.596 14.396 7.402 779 H LEU 97 H LEU 97 5.311 8.727 6.404 780 HA LEU 97 HA LEU 97 2.610 7.889 7.122 781 HB2 LEU 97 HB2 LEU 97 4.899 6.380 5.860 782 HB3 LEU 97 HB3 LEU 97 3.336 5.682 6.231 783 HG LEU 97 HG LEU 97 2.346 7.463 4.688 784 HD11 LEU 97 HD11 LEU 97 4.250 8.951 4.561 785 HD12 LEU 97 HD12 LEU 97 3.876 8.315 2.959 786 HD13 LEU 97 HD13 LEU 97 5.241 7.666 3.869 787 HD21 LEU 97 HD21 LEU 97 4.159 5.370 3.498 788 HD22 LEU 97 HD22 LEU 97 2.769 6.119 2.715 789 HD23 LEU 97 HD23 LEU 97 2.535 5.084 4.122 790 H LEU 98 H LEU 98 5.640 6.112 7.577 791 HA LEU 98 HA LEU 98 5.243 4.855 9.817 792 HB2 LEU 98 HB2 LEU 98 7.737 6.412 9.168 793 HB3 LEU 98 HB3 LEU 98 7.649 5.299 10.518 794 HG LEU 98 HG LEU 98 7.122 4.471 7.667 795 HD11 LEU 98 HD11 LEU 98 9.397 3.518 7.729 796 HD12 LEU 98 HD12 LEU 98 9.674 4.334 9.266 797 HD13 LEU 98 HD13 LEU 98 9.394 5.279 7.805 798 HD21 LEU 98 HD21 LEU 98 6.170 3.041 9.434 799 HD22 LEU 98 HD22 LEU 98 7.777 2.871 10.139 800 HD23 LEU 98 HD23 LEU 98 7.448 2.229 8.529 801 H ASN 99 H ASN 99 6.626 8.138 10.042 802 HA ASN 99 HA ASN 99 5.685 8.309 12.804 803 HB2 ASN 99 HB2 ASN 99 7.094 10.335 12.931 804 HB3 ASN 99 HB3 ASN 99 8.011 8.925 12.406 805 HD21 ASN 99 HD21 ASN 99 6.669 11.985 11.476 806 HD22 ASN 99 HD22 ASN 99 7.521 12.135 9.980 807 H VAL 100 H VAL 100 3.992 9.502 13.405 808 HA VAL 100 HA VAL 100 2.974 11.558 11.568 809 HB VAL 100 HB VAL 100 0.660 10.858 12.056 810 HG11 VAL 100 HG11 VAL 100 2.389 8.701 10.851 811 HG12 VAL 100 HG12 VAL 100 1.725 10.101 10.008 812 HG13 VAL 100 HG13 VAL 100 0.645 8.856 10.636 813 HG21 VAL 100 HG21 VAL 100 1.041 9.746 14.189 814 HG22 VAL 100 HG22 VAL 100 1.965 8.481 13.378 815 HG23 VAL 100 HG23 VAL 100 0.241 8.657 13.056 816 H GLY 101 H GLY 101 4.004 10.767 14.625 817 HA2 GLY 101 HA2 GLY 101 3.959 13.149 15.838 818 HA3 GLY 101 HA3 GLY 101 2.283 12.652 16.014 819 H ILE 102 H ILE 102 1.738 11.179 17.552 820 HA ILE 102 HA ILE 102 3.812 10.507 19.476 821 HB ILE 102 HB ILE 102 1.723 11.438 20.325 822 HG12 ILE 102 HG12 ILE 102 2.011 8.518 21.073 823 HG13 ILE 102 HG13 ILE 102 3.003 9.826 21.710 824 HG21 ILE 102 HG21 ILE 102 0.417 8.979 19.168 825 HG22 ILE 102 HG22 ILE 102 0.221 10.633 18.589 826 HG23 ILE 102 HG23 ILE 102 -0.374 10.182 20.186 827 HD11 ILE 102 HD11 ILE 102 1.016 10.836 22.711 828 HD12 ILE 102 HD12 ILE 102 1.280 9.189 23.287 829 HD13 ILE 102 HD13 ILE 102 0.034 9.512 22.082 830 H GLY 103 H GLY 103 1.641 8.913 17.218 831 HA2 GLY 103 HA2 GLY 103 3.103 6.756 16.539 832 HA3 GLY 103 HA3 GLY 103 2.458 6.280 18.102 Start of MODEL 20 1 H GLY 1 H GLY 1 10.490 2.497 -20.239 2 HA2 GLY 1 HA2 GLY 1 8.145 4.318 -20.242 3 HA3 GLY 1 HA3 GLY 1 8.086 2.579 -20.479 4 H SER 2 H SER 2 7.996 5.093 -18.227 5 HA SER 2 HA SER 2 8.562 3.304 -15.977 6 HB2 SER 2 HB2 SER 2 9.681 5.482 -15.935 7 HB3 SER 2 HB3 SER 2 8.122 6.300 -16.041 8 HG SER 2 HG SER 2 9.383 5.473 -13.866 9 H TYR 3 H TYR 3 7.049 2.711 -14.497 10 HA TYR 3 HA TYR 3 4.267 3.163 -15.238 11 HB2 TYR 3 HB2 TYR 3 5.045 0.865 -14.769 12 HB3 TYR 3 HB3 TYR 3 5.457 1.348 -13.127 13 HD1 TYR 3 HD1 TYR 3 2.625 0.934 -15.484 14 HD2 TYR 3 HD2 TYR 3 3.824 1.357 -11.424 15 HE1 TYR 3 HE1 TYR 3 0.344 0.373 -14.759 16 HE2 TYR 3 HE2 TYR 3 1.546 0.796 -10.688 17 HH TYR 3 HH TYR 3 -0.745 0.848 -11.583 18 H TRP 4 H TRP 4 3.047 4.649 -14.274 19 HA TRP 4 HA TRP 4 3.546 5.364 -11.500 20 HB2 TRP 4 HB2 TRP 4 4.913 6.957 -12.815 21 HB3 TRP 4 HB3 TRP 4 3.464 7.464 -13.677 22 HD1 TRP 4 HD1 TRP 4 1.721 9.007 -12.354 23 HE1 TRP 4 HE1 TRP 4 1.970 10.449 -10.236 24 HE3 TRP 4 HE3 TRP 4 6.089 7.058 -10.550 25 HZ2 TRP 4 HZ2 TRP 4 3.779 10.727 -8.088 26 HZ3 TRP 4 HZ3 TRP 4 7.012 7.969 -8.460 27 HH2 TRP 4 HH2 TRP 4 5.880 9.765 -7.255 28 HA PRO 5 HA PRO 5 -0.949 4.909 -12.148 29 HB2 PRO 5 HB2 PRO 5 -0.905 5.026 -9.195 30 HB3 PRO 5 HB3 PRO 5 -1.617 3.812 -10.260 31 HG2 PRO 5 HG2 PRO 5 0.605 3.299 -8.863 32 HG3 PRO 5 HG3 PRO 5 0.377 2.664 -10.504 33 HD2 PRO 5 HD2 PRO 5 2.022 4.989 -9.581 34 HD3 PRO 5 HD3 PRO 5 2.398 3.756 -10.804 35 H ALA 6 H ALA 6 -2.835 6.125 -11.056 36 HA ALA 6 HA ALA 6 -2.227 8.949 -11.248 37 HB1 ALA 6 HB1 ALA 6 -4.648 9.270 -11.127 38 HB2 ALA 6 HB2 ALA 6 -4.862 7.550 -10.795 39 HB3 ALA 6 HB3 ALA 6 -4.218 8.075 -12.351 40 H ARG 7 H ARG 7 -3.791 10.260 -9.580 41 HA ARG 7 HA ARG 7 -2.506 9.917 -7.046 42 HB2 ARG 7 HB2 ARG 7 -4.708 11.811 -7.882 43 HB3 ARG 7 HB3 ARG 7 -3.807 11.903 -6.375 44 HG2 ARG 7 HG2 ARG 7 -1.750 12.306 -7.614 45 HG3 ARG 7 HG3 ARG 7 -2.635 12.180 -9.135 46 HD2 ARG 7 HD2 ARG 7 -3.105 14.234 -6.976 47 HD3 ARG 7 HD3 ARG 7 -2.267 14.514 -8.501 48 HE ARG 7 HE ARG 7 -4.837 13.494 -9.021 49 HH11 ARG 7 HH11 ARG 7 -3.268 16.377 -7.850 50 HH12 ARG 7 HH12 ARG 7 -4.524 17.436 -8.395 51 HH21 ARG 7 HH21 ARG 7 -6.496 14.882 -9.742 52 HH22 ARG 7 HH22 ARG 7 -6.359 16.588 -9.470 53 H HIS 8 H HIS 8 -3.450 9.505 -5.045 54 HA HIS 8 HA HIS 8 -4.632 8.102 -3.674 55 HB2 HIS 8 HB2 HIS 8 -6.950 8.828 -3.348 56 HB3 HIS 8 HB3 HIS 8 -5.869 10.206 -3.520 57 HD1 HIS 8 HD1 HIS 8 -8.523 8.305 -5.411 58 HD2 HIS 8 HD2 HIS 8 -6.465 11.910 -5.599 59 HE1 HIS 8 HE1 HIS 8 -9.676 9.644 -7.199 60 HE2 HIS 8 HE2 HIS 8 -8.467 11.854 -7.235 61 H SER 9 H SER 9 -4.173 6.965 -6.328 62 HA SER 9 HA SER 9 -6.576 5.580 -7.095 63 HB2 SER 9 HB2 SER 9 -3.693 5.111 -7.895 64 HB3 SER 9 HB3 SER 9 -5.095 4.348 -8.647 65 HG SER 9 HG SER 9 -5.670 6.237 -9.535 66 H GLY 10 H GLY 10 -6.969 3.329 -6.874 67 HA2 GLY 10 HA2 GLY 10 -6.559 2.199 -4.433 68 HA3 GLY 10 HA3 GLY 10 -6.874 1.251 -5.878 69 H ALA 11 H ALA 11 -4.756 1.121 -7.318 70 HA ALA 11 HA ALA 11 -2.907 -0.396 -6.028 71 HB1 ALA 11 HB1 ALA 11 -3.172 -0.414 -8.432 72 HB2 ALA 11 HB2 ALA 11 -1.479 -0.134 -8.014 73 HB3 ALA 11 HB3 ALA 11 -2.490 1.211 -8.544 74 H ARG 12 H ARG 12 -3.011 3.058 -6.117 75 HA ARG 12 HA ARG 12 -0.197 3.482 -5.544 76 HB2 ARG 12 HB2 ARG 12 -0.984 5.353 -6.595 77 HB3 ARG 12 HB3 ARG 12 -2.597 5.196 -5.930 78 HG2 ARG 12 HG2 ARG 12 -1.864 6.099 -3.826 79 HG3 ARG 12 HG3 ARG 12 -0.188 6.115 -4.374 80 HD2 ARG 12 HD2 ARG 12 -2.438 7.703 -5.600 81 HD3 ARG 12 HD3 ARG 12 -1.240 8.341 -4.476 82 HE ARG 12 HE ARG 12 -0.215 7.117 -6.904 83 HH11 ARG 12 HH11 ARG 12 -1.091 10.036 -5.214 84 HH12 ARG 12 HH12 ARG 12 -0.151 11.067 -6.242 85 HH21 ARG 12 HH21 ARG 12 1.025 8.466 -8.262 86 HH22 ARG 12 HH22 ARG 12 1.051 10.174 -7.974 87 H VAL 13 H VAL 13 -3.284 3.664 -3.850 88 HA VAL 13 HA VAL 13 -2.251 4.547 -1.388 89 HB VAL 13 HB VAL 13 -4.798 3.033 -1.970 90 HG11 VAL 13 HG11 VAL 13 -3.935 4.562 0.479 91 HG12 VAL 13 HG12 VAL 13 -4.277 2.836 0.367 92 HG13 VAL 13 HG13 VAL 13 -5.581 4.009 0.172 93 HG21 VAL 13 HG21 VAL 13 -5.847 5.263 -1.856 94 HG22 VAL 13 HG22 VAL 13 -4.697 5.119 -3.184 95 HG23 VAL 13 HG23 VAL 13 -4.244 5.985 -1.719 96 H ILE 14 H ILE 14 -2.839 1.303 -2.715 97 HA ILE 14 HA ILE 14 -2.238 -0.028 -0.355 98 HB ILE 14 HB ILE 14 -2.011 -2.057 -1.693 99 HG12 ILE 14 HG12 ILE 14 -2.239 -0.221 -4.081 100 HG13 ILE 14 HG13 ILE 14 -0.805 -1.134 -3.622 101 HG21 ILE 14 HG21 ILE 14 -4.212 -1.304 -1.094 102 HG22 ILE 14 HG22 ILE 14 -4.248 -2.014 -2.708 103 HG23 ILE 14 HG23 ILE 14 -4.275 -0.261 -2.514 104 HD11 ILE 14 HD11 ILE 14 -2.059 -2.167 -5.461 105 HD12 ILE 14 HD12 ILE 14 -3.446 -2.353 -4.389 106 HD13 ILE 14 HD13 ILE 14 -1.944 -3.211 -4.046 107 H LEU 15 H LEU 15 -0.029 0.057 -3.211 108 HA LEU 15 HA LEU 15 2.120 -0.879 -2.007 109 HB2 LEU 15 HB2 LEU 15 2.285 1.466 -3.896 110 HB3 LEU 15 HB3 LEU 15 3.547 0.297 -3.578 111 HG LEU 15 HG LEU 15 0.929 -0.679 -4.624 112 HD11 LEU 15 HD11 LEU 15 3.090 0.594 -6.296 113 HD12 LEU 15 HD12 LEU 15 1.445 1.191 -6.077 114 HD13 LEU 15 HD13 LEU 15 1.725 -0.334 -6.918 115 HD21 LEU 15 HD21 LEU 15 2.652 -2.265 -3.926 116 HD22 LEU 15 HD22 LEU 15 3.796 -1.519 -5.043 117 HD23 LEU 15 HD23 LEU 15 2.369 -2.351 -5.665 118 H LEU 16 H LEU 16 0.929 2.359 -1.432 119 HA LEU 16 HA LEU 16 3.393 3.385 -0.323 120 HB2 LEU 16 HB2 LEU 16 1.856 4.895 -1.425 121 HB3 LEU 16 HB3 LEU 16 0.550 4.378 -0.379 122 HG LEU 16 HG LEU 16 1.781 5.305 1.550 123 HD11 LEU 16 HD11 LEU 16 3.632 6.842 1.144 124 HD12 LEU 16 HD12 LEU 16 3.589 6.444 -0.575 125 HD13 LEU 16 HD13 LEU 16 4.030 5.211 0.605 126 HD21 LEU 16 HD21 LEU 16 1.302 7.659 0.986 127 HD22 LEU 16 HD22 LEU 16 0.009 6.557 0.507 128 HD23 LEU 16 HD23 LEU 16 1.124 7.186 -0.706 129 H VAL 17 H VAL 17 0.280 2.138 0.718 130 HA VAL 17 HA VAL 17 0.652 2.655 3.489 131 HB VAL 17 HB VAL 17 -1.518 2.285 2.199 132 HG11 VAL 17 HG11 VAL 17 -2.368 -0.081 2.443 133 HG12 VAL 17 HG12 VAL 17 -0.677 -0.555 2.611 134 HG13 VAL 17 HG13 VAL 17 -1.229 0.238 1.135 135 HG21 VAL 17 HG21 VAL 17 -1.117 0.900 4.838 136 HG22 VAL 17 HG22 VAL 17 -2.653 1.462 4.181 137 HG23 VAL 17 HG23 VAL 17 -1.396 2.627 4.604 138 H LEU 18 H LEU 18 0.971 -0.327 1.503 139 HA LEU 18 HA LEU 18 1.933 -1.923 3.472 140 HB2 LEU 18 HB2 LEU 18 2.983 -1.941 0.635 141 HB3 LEU 18 HB3 LEU 18 3.066 -3.269 1.772 142 HG LEU 18 HG LEU 18 0.737 -2.262 0.206 143 HD11 LEU 18 HD11 LEU 18 0.449 -4.646 -0.240 144 HD12 LEU 18 HD12 LEU 18 1.835 -4.998 0.793 145 HD13 LEU 18 HD13 LEU 18 2.054 -4.074 -0.693 146 HD21 LEU 18 HD21 LEU 18 -0.091 -2.254 2.492 147 HD22 LEU 18 HD22 LEU 18 0.544 -3.880 2.746 148 HD23 LEU 18 HD23 LEU 18 -0.772 -3.616 1.602 149 H TYR 19 H TYR 19 3.484 0.729 1.951 150 HA TYR 19 HA TYR 19 6.207 0.020 2.228 151 HB2 TYR 19 HB2 TYR 19 5.478 1.909 0.858 152 HB3 TYR 19 HB3 TYR 19 4.908 2.742 2.295 153 HD1 TYR 19 HD1 TYR 19 7.950 1.521 0.576 154 HD2 TYR 19 HD2 TYR 19 6.368 4.015 3.639 155 HE1 TYR 19 HE1 TYR 19 10.156 2.573 0.851 156 HE2 TYR 19 HE2 TYR 19 8.570 5.074 3.922 157 HH TYR 19 HH TYR 19 11.102 4.677 1.697 158 H ARG 20 H ARG 20 4.391 2.335 4.296 159 HA ARG 20 HA ARG 20 6.212 2.354 6.310 160 HB2 ARG 20 HB2 ARG 20 4.301 3.001 7.823 161 HB3 ARG 20 HB3 ARG 20 4.461 3.941 6.347 162 HG2 ARG 20 HG2 ARG 20 2.715 2.382 5.354 163 HG3 ARG 20 HG3 ARG 20 2.429 1.843 7.011 164 HD2 ARG 20 HD2 ARG 20 2.020 4.195 7.655 165 HD3 ARG 20 HD3 ARG 20 2.191 4.653 5.961 166 HE ARG 20 HE ARG 20 0.246 2.667 6.099 167 HH11 ARG 20 HH11 ARG 20 0.721 5.939 7.201 168 HH12 ARG 20 HH12 ARG 20 -0.967 6.326 7.184 169 HH21 ARG 20 HH21 ARG 20 -1.979 3.168 6.077 170 HH22 ARG 20 HH22 ARG 20 -2.501 4.751 6.545 171 H GLU 21 H GLU 21 3.256 0.350 6.600 172 HA GLU 21 HA GLU 21 3.976 -1.133 8.604 173 HB2 GLU 21 HB2 GLU 21 1.852 -1.421 7.360 174 HB3 GLU 21 HB3 GLU 21 2.711 -2.386 6.165 175 HG2 GLU 21 HG2 GLU 21 1.530 -3.801 7.736 176 HG3 GLU 21 HG3 GLU 21 3.271 -4.026 7.875 177 H HIS 22 H HIS 22 5.565 -1.301 5.568 178 HA HIS 22 HA HIS 22 6.718 -3.943 6.005 179 HB2 HIS 22 HB2 HIS 22 6.276 -3.430 3.721 180 HB3 HIS 22 HB3 HIS 22 7.087 -1.874 3.840 181 HD1 HIS 22 HD1 HIS 22 7.663 -5.405 3.043 182 HD2 HIS 22 HD2 HIS 22 9.969 -2.092 4.030 183 HE1 HIS 22 HE1 HIS 22 10.013 -5.995 2.371 184 HE2 HIS 22 HE2 HIS 22 11.378 -3.949 2.911 185 H LEU 23 H LEU 23 7.632 -0.526 6.058 186 HA LEU 23 HA LEU 23 10.275 -0.934 6.824 187 HB2 LEU 23 HB2 LEU 23 8.391 1.378 7.019 188 HB3 LEU 23 HB3 LEU 23 9.949 1.473 7.817 189 HG LEU 23 HG LEU 23 10.963 0.885 5.549 190 HD11 LEU 23 HD11 LEU 23 9.636 1.450 3.595 191 HD12 LEU 23 HD12 LEU 23 8.229 1.743 4.618 192 HD13 LEU 23 HD13 LEU 23 8.900 0.117 4.483 193 HD21 LEU 23 HD21 LEU 23 11.112 3.094 6.557 194 HD22 LEU 23 HD22 LEU 23 9.528 3.510 5.906 195 HD23 LEU 23 HD23 LEU 23 10.880 3.216 4.813 196 H ASN 24 H ASN 24 7.815 -2.043 8.480 197 HA ASN 24 HA ASN 24 8.620 -1.207 11.140 198 HB2 ASN 24 HB2 ASN 24 6.391 -2.931 10.081 199 HB3 ASN 24 HB3 ASN 24 6.769 -2.869 11.800 200 HD21 ASN 24 HD21 ASN 24 6.453 -0.950 12.938 201 HD22 ASN 24 HD22 ASN 24 5.443 0.311 12.327 202 HA PRO 25 HA PRO 25 11.501 -4.734 11.124 203 HB2 PRO 25 HB2 PRO 25 12.271 -3.562 13.714 204 HB3 PRO 25 HB3 PRO 25 13.264 -3.911 12.301 205 HG2 PRO 25 HG2 PRO 25 12.642 -1.396 13.001 206 HG3 PRO 25 HG3 PRO 25 12.792 -1.883 11.302 207 HD2 PRO 25 HD2 PRO 25 10.319 -1.459 12.938 208 HD3 PRO 25 HD3 PRO 25 10.647 -1.019 11.254 209 H ASN 26 H ASN 26 9.180 -3.704 13.482 210 HA ASN 26 HA ASN 26 9.335 -6.326 14.765 211 HB2 ASN 26 HB2 ASN 26 10.175 -4.519 16.306 212 HB3 ASN 26 HB3 ASN 26 8.574 -3.793 16.233 213 HD21 ASN 26 HD21 ASN 26 10.443 -6.514 17.338 214 HD22 ASN 26 HD22 ASN 26 9.281 -7.108 18.471 215 H GLY 27 H GLY 27 7.780 -5.585 12.518 216 HA2 GLY 27 HA2 GLY 27 5.079 -5.317 13.663 217 HA3 GLY 27 HA3 GLY 27 5.488 -4.642 12.094 218 H HIS 28 H HIS 28 4.790 -5.826 10.456 219 HA HIS 28 HA HIS 28 5.007 -8.752 10.640 220 HB2 HIS 28 HB2 HIS 28 2.623 -7.198 9.610 221 HB3 HIS 28 HB3 HIS 28 2.813 -8.945 9.505 222 HD1 HIS 28 HD1 HIS 28 2.308 -10.312 11.590 223 HD2 HIS 28 HD2 HIS 28 2.115 -6.210 12.225 224 HE1 HIS 28 HE1 HIS 28 1.263 -10.032 13.860 225 HE2 HIS 28 HE2 HIS 28 1.086 -7.541 14.191 226 H HIS 29 H HIS 29 5.473 -5.895 8.871 227 HA HIS 29 HA HIS 29 6.447 -5.462 6.864 228 HB2 HIS 29 HB2 HIS 29 6.908 -8.450 6.748 229 HB3 HIS 29 HB3 HIS 29 7.657 -7.256 5.693 230 HD1 HIS 29 HD1 HIS 29 7.995 -8.871 8.978 231 HD2 HIS 29 HD2 HIS 29 9.554 -5.549 7.028 232 HE1 HIS 29 HE1 HIS 29 10.010 -8.188 10.319 233 HE2 HIS 29 HE2 HIS 29 10.977 -6.218 9.082 234 H PHE 30 H PHE 30 3.585 -6.317 7.214 235 HA PHE 30 HA PHE 30 2.759 -6.112 4.555 236 HB2 PHE 30 HB2 PHE 30 1.659 -8.317 4.231 237 HB3 PHE 30 HB3 PHE 30 3.409 -8.423 4.240 238 HD1 PHE 30 HD1 PHE 30 0.517 -8.723 6.582 239 HD2 PHE 30 HD2 PHE 30 4.389 -10.097 5.470 240 HE1 PHE 30 HE1 PHE 30 0.382 -10.476 8.300 241 HE2 PHE 30 HE2 PHE 30 4.261 -11.852 7.191 242 HZ PHE 30 HZ PHE 30 2.255 -12.043 8.607 243 H LEU 31 H LEU 31 0.299 -6.856 4.397 244 HA LEU 31 HA LEU 31 -1.141 -6.588 6.904 245 HB2 LEU 31 HB2 LEU 31 -1.218 -4.583 4.663 246 HB3 LEU 31 HB3 LEU 31 -2.527 -4.750 5.809 247 HG LEU 31 HG LEU 31 0.311 -4.047 6.531 248 HD11 LEU 31 HD11 LEU 31 -0.564 -1.801 6.951 249 HD12 LEU 31 HD12 LEU 31 -2.136 -2.302 6.327 250 HD13 LEU 31 HD13 LEU 31 -0.734 -2.263 5.257 251 HD21 LEU 31 HD21 LEU 31 -0.865 -5.204 8.323 252 HD22 LEU 31 HD22 LEU 31 -2.210 -4.072 8.184 253 HD23 LEU 31 HD23 LEU 31 -0.631 -3.502 8.724 254 H THR 32 H THR 32 -3.463 -6.984 6.627 255 HA THR 32 HA THR 32 -3.886 -8.943 4.488 256 HB THR 32 HB THR 32 -5.864 -9.661 5.722 257 HG1 THR 32 HG1 THR 32 -6.698 -8.038 6.844 258 HG21 THR 32 HG21 THR 32 -4.773 -10.532 7.740 259 HG22 THR 32 HG22 THR 32 -3.445 -9.393 7.512 260 HG23 THR 32 HG23 THR 32 -3.724 -10.671 6.328 261 H LYS 33 H LYS 33 -6.198 -8.940 3.599 262 HA LYS 33 HA LYS 33 -6.539 -6.566 2.086 263 HB2 LYS 33 HB2 LYS 33 -7.323 -9.023 1.641 264 HB3 LYS 33 HB3 LYS 33 -8.743 -8.546 2.556 265 HG2 LYS 33 HG2 LYS 33 -7.776 -7.034 0.146 266 HG3 LYS 33 HG3 LYS 33 -8.921 -8.372 0.051 267 HD2 LYS 33 HD2 LYS 33 -10.400 -7.130 1.626 268 HD3 LYS 33 HD3 LYS 33 -9.285 -5.767 1.525 269 HE2 LYS 33 HE2 LYS 33 -11.169 -5.455 0.016 270 HE3 LYS 33 HE3 LYS 33 -9.665 -5.632 -0.887 271 HZ1 LYS 33 HZ1 LYS 33 -10.235 -7.944 -1.308 272 HZ2 LYS 33 HZ2 LYS 33 -11.444 -6.913 -1.888 273 HZ3 LYS 33 HZ3 LYS 33 -11.682 -7.768 -0.447 274 H GLU 34 H GLU 34 -8.024 -7.846 5.003 275 HA GLU 34 HA GLU 34 -10.033 -5.844 5.222 276 HB2 GLU 34 HB2 GLU 34 -8.892 -7.631 7.374 277 HB3 GLU 34 HB3 GLU 34 -10.422 -6.769 7.436 278 HG2 GLU 34 HG2 GLU 34 -9.747 -8.931 5.457 279 HG3 GLU 34 HG3 GLU 34 -10.672 -9.166 6.938 280 H GLU 35 H GLU 35 -6.697 -6.021 6.225 281 HA GLU 35 HA GLU 35 -6.936 -3.999 8.282 282 HB2 GLU 35 HB2 GLU 35 -4.561 -5.343 6.997 283 HB3 GLU 35 HB3 GLU 35 -4.401 -4.047 8.174 284 HG2 GLU 35 HG2 GLU 35 -5.571 -5.384 9.833 285 HG3 GLU 35 HG3 GLU 35 -5.778 -6.679 8.656 286 H LEU 36 H LEU 36 -6.547 -4.026 4.864 287 HA LEU 36 HA LEU 36 -4.988 -1.586 4.705 288 HB2 LEU 36 HB2 LEU 36 -6.487 -3.034 2.531 289 HB3 LEU 36 HB3 LEU 36 -5.292 -1.769 2.321 290 HG LEU 36 HG LEU 36 -4.803 -4.558 3.337 291 HD11 LEU 36 HD11 LEU 36 -3.326 -4.671 1.327 292 HD12 LEU 36 HD12 LEU 36 -4.021 -3.136 0.805 293 HD13 LEU 36 HD13 LEU 36 -5.048 -4.560 0.971 294 HD21 LEU 36 HD21 LEU 36 -2.421 -3.914 3.372 295 HD22 LEU 36 HD22 LEU 36 -3.383 -3.025 4.552 296 HD23 LEU 36 HD23 LEU 36 -2.891 -2.245 3.048 297 H LEU 37 H LEU 37 -8.320 -2.653 4.648 298 HA LEU 37 HA LEU 37 -9.590 -0.469 3.542 299 HB2 LEU 37 HB2 LEU 37 -10.512 -2.107 5.905 300 HB3 LEU 37 HB3 LEU 37 -11.535 -1.078 4.921 301 HG LEU 37 HG LEU 37 -10.083 -3.541 3.946 302 HD11 LEU 37 HD11 LEU 37 -13.004 -3.074 4.525 303 HD12 LEU 37 HD12 LEU 37 -11.907 -4.091 5.459 304 HD13 LEU 37 HD13 LEU 37 -12.316 -4.527 3.800 305 HD21 LEU 37 HD21 LEU 37 -11.411 -3.239 1.910 306 HD22 LEU 37 HD22 LEU 37 -10.337 -1.869 2.193 307 HD23 LEU 37 HD23 LEU 37 -12.056 -1.730 2.557 308 H GLN 38 H GLN 38 -8.343 -0.834 6.828 309 HA GLN 38 HA GLN 38 -9.556 1.661 7.727 310 HB2 GLN 38 HB2 GLN 38 -7.641 -0.220 9.121 311 HB3 GLN 38 HB3 GLN 38 -8.382 1.199 9.848 312 HG2 GLN 38 HG2 GLN 38 -10.591 0.197 9.553 313 HG3 GLN 38 HG3 GLN 38 -9.845 -1.226 8.828 314 HE21 GLN 38 HE21 GLN 38 -10.378 0.557 11.760 315 HE22 GLN 38 HE22 GLN 38 -9.873 -0.684 12.849 316 H ARG 39 H ARG 39 -6.377 0.275 7.061 317 HA ARG 39 HA ARG 39 -4.728 2.372 7.569 318 HB2 ARG 39 HB2 ARG 39 -4.565 0.505 5.206 319 HB3 ARG 39 HB3 ARG 39 -3.239 1.461 5.852 320 HG2 ARG 39 HG2 ARG 39 -4.703 -0.520 7.525 321 HG3 ARG 39 HG3 ARG 39 -3.362 -0.994 6.487 322 HD2 ARG 39 HD2 ARG 39 -1.876 0.506 7.642 323 HD3 ARG 39 HD3 ARG 39 -3.209 1.151 8.595 324 HE ARG 39 HE ARG 39 -3.023 -1.632 8.991 325 HH11 ARG 39 HH11 ARG 39 -1.352 1.327 9.763 326 HH12 ARG 39 HH12 ARG 39 -0.670 0.709 11.230 327 HH21 ARG 39 HH21 ARG 39 -2.129 -2.453 10.920 328 HH22 ARG 39 HH22 ARG 39 -1.111 -1.439 11.888 329 H CYS 40 H CYS 40 -6.504 1.803 4.572 330 HA CYS 40 HA CYS 40 -5.489 3.916 3.049 331 HB2 CYS 40 HB2 CYS 40 -8.247 2.675 2.993 332 HB3 CYS 40 HB3 CYS 40 -7.610 3.752 1.756 333 HG CYS 40 HG CYS 40 -7.340 0.520 1.954 334 H ALA 41 H ALA 41 -8.089 3.850 5.425 335 HA ALA 41 HA ALA 41 -9.009 6.436 5.044 336 HB1 ALA 41 HB1 ALA 41 -10.184 4.745 6.376 337 HB2 ALA 41 HB2 ALA 41 -10.006 6.266 7.252 338 HB3 ALA 41 HB3 ALA 41 -8.961 4.899 7.638 339 H GLN 42 H GLN 42 -5.921 5.977 5.540 340 HA GLN 42 HA GLN 42 -5.601 7.967 7.652 341 HB2 GLN 42 HB2 GLN 42 -3.624 5.805 6.897 342 HB3 GLN 42 HB3 GLN 42 -3.320 7.107 8.038 343 HG2 GLN 42 HG2 GLN 42 -5.088 6.250 9.489 344 HG3 GLN 42 HG3 GLN 42 -5.390 4.944 8.345 345 HE21 GLN 42 HE21 GLN 42 -3.214 6.226 10.729 346 HE22 GLN 42 HE22 GLN 42 -2.259 4.799 10.923 347 H LYS 43 H LYS 43 -4.807 6.711 4.514 348 HA LYS 43 HA LYS 43 -2.778 8.314 3.607 349 HB2 LYS 43 HB2 LYS 43 -3.922 6.467 2.363 350 HB3 LYS 43 HB3 LYS 43 -5.231 7.586 2.008 351 HG2 LYS 43 HG2 LYS 43 -4.114 8.489 0.319 352 HG3 LYS 43 HG3 LYS 43 -2.657 8.695 1.296 353 HD2 LYS 43 HD2 LYS 43 -2.096 6.342 0.938 354 HD3 LYS 43 HD3 LYS 43 -3.538 6.154 -0.060 355 HE2 LYS 43 HE2 LYS 43 -1.195 7.957 -0.637 356 HE3 LYS 43 HE3 LYS 43 -1.560 6.430 -1.441 357 HZ1 LYS 43 HZ1 LYS 43 -2.284 8.326 -2.756 358 HZ2 LYS 43 HZ2 LYS 43 -3.270 8.861 -1.491 359 HZ3 LYS 43 HZ3 LYS 43 -3.613 7.399 -2.269 360 H SER 44 H SER 44 -6.218 9.008 3.019 361 HA SER 44 HA SER 44 -5.655 11.869 3.341 362 HB2 SER 44 HB2 SER 44 -7.092 10.561 1.024 363 HB3 SER 44 HB3 SER 44 -7.169 12.292 1.363 364 HG SER 44 HG SER 44 -5.429 12.339 0.178 365 HA PRO 45 HA PRO 45 -9.207 12.021 5.960 366 HB2 PRO 45 HB2 PRO 45 -9.987 14.443 4.404 367 HB3 PRO 45 HB3 PRO 45 -9.810 14.236 6.151 368 HG2 PRO 45 HG2 PRO 45 -7.960 15.534 4.745 369 HG3 PRO 45 HG3 PRO 45 -7.502 14.456 6.077 370 HD2 PRO 45 HD2 PRO 45 -7.330 14.013 3.130 371 HD3 PRO 45 HD3 PRO 45 -6.236 13.472 4.421 372 H ARG 46 H ARG 46 -10.223 13.358 2.812 373 HA ARG 46 HA ARG 46 -12.520 11.570 2.850 374 HB2 ARG 46 HB2 ARG 46 -11.869 13.899 1.034 375 HB3 ARG 46 HB3 ARG 46 -13.376 12.995 1.026 376 HG2 ARG 46 HG2 ARG 46 -13.840 13.732 3.304 377 HG3 ARG 46 HG3 ARG 46 -12.318 14.626 3.326 378 HD2 ARG 46 HD2 ARG 46 -14.201 16.105 2.858 379 HD3 ARG 46 HD3 ARG 46 -13.104 16.018 1.481 380 HE ARG 46 HE ARG 46 -15.143 14.112 1.161 381 HH11 ARG 46 HH11 ARG 46 -14.659 17.563 1.124 382 HH12 ARG 46 HH12 ARG 46 -15.962 17.862 0.022 383 HH21 ARG 46 HH21 ARG 46 -16.860 14.498 -0.290 384 HH22 ARG 46 HH22 ARG 46 -17.212 16.121 -0.781 385 H VAL 47 H VAL 47 -11.570 9.604 2.262 386 HA VAL 47 HA VAL 47 -9.906 9.263 0.011 387 HB VAL 47 HB VAL 47 -10.457 6.848 0.205 388 HG11 VAL 47 HG11 VAL 47 -8.659 7.804 1.535 389 HG12 VAL 47 HG12 VAL 47 -9.493 6.542 2.442 390 HG13 VAL 47 HG13 VAL 47 -9.806 8.240 2.801 391 HG21 VAL 47 HG21 VAL 47 -11.888 6.098 2.050 392 HG22 VAL 47 HG22 VAL 47 -12.792 7.049 0.871 393 HG23 VAL 47 HG23 VAL 47 -12.306 7.774 2.403 394 H ALA 48 H ALA 48 -10.331 8.524 -2.059 395 HA ALA 48 HA ALA 48 -12.717 9.519 -3.255 396 HB1 ALA 48 HB1 ALA 48 -10.573 9.476 -4.438 397 HB2 ALA 48 HB2 ALA 48 -11.822 8.604 -5.326 398 HB3 ALA 48 HB3 ALA 48 -10.600 7.712 -4.417 399 HA PRO 49 HA PRO 49 -15.436 6.057 -2.980 400 HB2 PRO 49 HB2 PRO 49 -16.625 6.082 -5.443 401 HB3 PRO 49 HB3 PRO 49 -17.030 7.215 -4.149 402 HG2 PRO 49 HG2 PRO 49 -15.231 7.599 -6.510 403 HG3 PRO 49 HG3 PRO 49 -16.422 8.715 -5.816 404 HD2 PRO 49 HD2 PRO 49 -13.783 8.966 -5.338 405 HD3 PRO 49 HD3 PRO 49 -15.002 9.368 -4.111 406 H GLY 50 H GLY 50 -14.428 4.130 -2.882 407 HA2 GLY 50 HA2 GLY 50 -14.332 2.284 -4.813 408 HA3 GLY 50 HA3 GLY 50 -12.822 3.140 -5.092 409 H SER 51 H SER 51 -13.574 3.291 -1.856 410 HA SER 51 HA SER 51 -11.446 1.529 -1.139 411 HB2 SER 51 HB2 SER 51 -11.987 2.154 1.170 412 HB3 SER 51 HB3 SER 51 -11.946 3.582 0.137 413 HG SER 51 HG SER 51 -14.201 3.553 0.082 414 H ALA 52 H ALA 52 -14.971 1.409 -0.881 415 HA ALA 52 HA ALA 52 -14.908 -1.238 0.273 416 HB1 ALA 52 HB1 ALA 52 -16.590 0.384 1.005 417 HB2 ALA 52 HB2 ALA 52 -17.329 -1.073 0.341 418 HB3 ALA 52 HB3 ALA 52 -17.270 0.402 -0.622 419 HA PRO 53 HA PRO 53 -17.007 -2.001 -4.190 420 HB2 PRO 53 HB2 PRO 53 -15.146 -0.086 -5.540 421 HB3 PRO 53 HB3 PRO 53 -16.800 -0.539 -5.971 422 HG2 PRO 53 HG2 PRO 53 -16.338 1.784 -4.793 423 HG3 PRO 53 HG3 PRO 53 -17.735 0.803 -4.311 424 HD2 PRO 53 HD2 PRO 53 -15.129 1.203 -2.916 425 HD3 PRO 53 HD3 PRO 53 -16.762 1.043 -2.239 426 HA PRO 54 HA PRO 54 -14.201 -5.108 -5.652 427 HB2 PRO 54 HB2 PRO 54 -13.727 -3.343 -8.028 428 HB3 PRO 54 HB3 PRO 54 -13.940 -5.098 -7.963 429 HG2 PRO 54 HG2 PRO 54 -15.960 -3.435 -8.620 430 HG3 PRO 54 HG3 PRO 54 -16.225 -4.951 -7.743 431 HD2 PRO 54 HD2 PRO 54 -16.509 -2.199 -6.800 432 HD3 PRO 54 HD3 PRO 54 -17.063 -3.704 -6.043 433 H TRP 55 H TRP 55 -12.529 -5.034 -4.256 434 HA TRP 55 HA TRP 55 -10.344 -3.214 -4.932 435 HB2 TRP 55 HB2 TRP 55 -11.561 -3.574 -2.521 436 HB3 TRP 55 HB3 TRP 55 -10.160 -4.633 -2.371 437 HD1 TRP 55 HD1 TRP 55 -10.495 -1.127 -3.981 438 HE1 TRP 55 HE1 TRP 55 -8.675 0.394 -2.983 439 HE3 TRP 55 HE3 TRP 55 -8.426 -4.406 -0.628 440 HZ2 TRP 55 HZ2 TRP 55 -6.637 0.226 -1.038 441 HZ3 TRP 55 HZ3 TRP 55 -6.568 -3.636 0.752 442 HH2 TRP 55 HH2 TRP 55 -5.687 -1.373 0.558 443 HA PRO 56 HA PRO 56 -8.760 -7.894 -4.972 444 HB2 PRO 56 HB2 PRO 56 -9.878 -8.152 -7.712 445 HB3 PRO 56 HB3 PRO 56 -9.747 -9.364 -6.434 446 HG2 PRO 56 HG2 PRO 56 -12.100 -8.277 -7.057 447 HG3 PRO 56 HG3 PRO 56 -11.676 -8.651 -5.375 448 HD2 PRO 56 HD2 PRO 56 -11.706 -6.015 -6.784 449 HD3 PRO 56 HD3 PRO 56 -12.178 -6.414 -5.120 450 H ALA 57 H ALA 57 -8.895 -5.041 -6.667 451 HA ALA 57 HA ALA 57 -7.203 -5.057 -8.723 452 HB1 ALA 57 HB1 ALA 57 -6.955 -3.009 -6.539 453 HB2 ALA 57 HB2 ALA 57 -8.344 -3.098 -7.623 454 HB3 ALA 57 HB3 ALA 57 -6.732 -2.784 -8.274 455 H LEU 58 H LEU 58 -6.332 -5.803 -5.466 456 HA LEU 58 HA LEU 58 -3.598 -5.357 -5.495 457 HB2 LEU 58 HB2 LEU 58 -5.445 -7.093 -3.994 458 HB3 LEU 58 HB3 LEU 58 -3.784 -7.650 -4.030 459 HG LEU 58 HG LEU 58 -4.374 -6.259 -2.040 460 HD11 LEU 58 HD11 LEU 58 -2.240 -5.149 -3.856 461 HD12 LEU 58 HD12 LEU 58 -2.061 -6.516 -2.757 462 HD13 LEU 58 HD13 LEU 58 -2.347 -4.898 -2.114 463 HD21 LEU 58 HD21 LEU 58 -5.871 -4.691 -3.182 464 HD22 LEU 58 HD22 LEU 58 -4.493 -4.034 -4.065 465 HD23 LEU 58 HD23 LEU 58 -4.582 -3.859 -2.312 466 H ARG 59 H ARG 59 -5.376 -8.275 -6.469 467 HA ARG 59 HA ARG 59 -3.240 -9.952 -7.055 468 HB2 ARG 59 HB2 ARG 59 -5.883 -9.744 -8.510 469 HB3 ARG 59 HB3 ARG 59 -4.782 -11.114 -8.575 470 HG2 ARG 59 HG2 ARG 59 -5.115 -11.517 -6.200 471 HG3 ARG 59 HG3 ARG 59 -6.188 -10.119 -6.104 472 HD2 ARG 59 HD2 ARG 59 -7.461 -12.195 -6.250 473 HD3 ARG 59 HD3 ARG 59 -7.727 -11.184 -7.670 474 HE ARG 59 HE ARG 59 -5.639 -12.998 -8.188 475 HH11 ARG 59 HH11 ARG 59 -9.093 -12.917 -7.737 476 HH12 ARG 59 HH12 ARG 59 -9.384 -14.307 -8.729 477 HH21 ARG 59 HH21 ARG 59 -6.013 -14.828 -9.496 478 HH22 ARG 59 HH22 ARG 59 -7.633 -15.394 -9.727 479 H SER 60 H SER 60 -4.636 -7.329 -8.936 480 HA SER 60 HA SER 60 -3.301 -7.804 -11.324 481 HB2 SER 60 HB2 SER 60 -4.093 -5.129 -10.144 482 HB3 SER 60 HB3 SER 60 -3.706 -5.429 -11.838 483 HG SER 60 HG SER 60 -5.957 -5.465 -11.466 484 H LEU 61 H LEU 61 -2.251 -6.090 -8.431 485 HA LEU 61 HA LEU 61 0.192 -5.160 -9.614 486 HB2 LEU 61 HB2 LEU 61 -0.883 -5.162 -6.813 487 HB3 LEU 61 HB3 LEU 61 0.772 -4.687 -7.158 488 HG LEU 61 HG LEU 61 -0.405 -3.092 -8.903 489 HD11 LEU 61 HD11 LEU 61 -2.537 -3.484 -6.812 490 HD12 LEU 61 HD12 LEU 61 -2.651 -3.949 -8.508 491 HD13 LEU 61 HD13 LEU 61 -2.529 -2.246 -8.067 492 HD21 LEU 61 HD21 LEU 61 -0.411 -1.344 -7.175 493 HD22 LEU 61 HD22 LEU 61 1.030 -2.358 -7.110 494 HD23 LEU 61 HD23 LEU 61 -0.265 -2.592 -5.937 495 H LEU 62 H LEU 62 -0.750 -7.899 -7.568 496 HA LEU 62 HA LEU 62 1.789 -8.834 -6.871 497 HB2 LEU 62 HB2 LEU 62 -0.803 -10.242 -7.447 498 HB3 LEU 62 HB3 LEU 62 0.636 -11.140 -7.028 499 HG LEU 62 HG LEU 62 -0.707 -10.922 -5.065 500 HD11 LEU 62 HD11 LEU 62 1.715 -9.159 -5.062 501 HD12 LEU 62 HD12 LEU 62 1.564 -10.827 -4.514 502 HD13 LEU 62 HD13 LEU 62 0.803 -9.523 -3.599 503 HD21 LEU 62 HD21 LEU 62 -0.778 -7.998 -5.723 504 HD22 LEU 62 HD22 LEU 62 -1.144 -8.616 -4.112 505 HD23 LEU 62 HD23 LEU 62 -2.128 -9.108 -5.493 506 H HIS 63 H HIS 63 -0.178 -9.266 -9.737 507 HA HIS 63 HA HIS 63 1.492 -10.942 -11.167 508 HB2 HIS 63 HB2 HIS 63 -0.833 -10.438 -11.784 509 HB3 HIS 63 HB3 HIS 63 -0.371 -8.794 -12.203 510 HD1 HIS 63 HD1 HIS 63 -0.383 -12.268 -13.496 511 HD2 HIS 63 HD2 HIS 63 1.110 -8.557 -14.621 512 HE1 HIS 63 HE1 HIS 63 0.277 -12.513 -15.911 513 HE2 HIS 63 HE2 HIS 63 1.092 -10.229 -16.595 514 H ARG 64 H ARG 64 1.514 -7.429 -10.855 515 HA ARG 64 HA ARG 64 3.611 -7.068 -12.735 516 HB2 ARG 64 HB2 ARG 64 2.576 -5.210 -10.587 517 HB3 ARG 64 HB3 ARG 64 3.623 -4.746 -11.920 518 HG2 ARG 64 HG2 ARG 64 0.859 -5.886 -12.252 519 HG3 ARG 64 HG3 ARG 64 1.240 -4.164 -12.256 520 HD2 ARG 64 HD2 ARG 64 2.722 -4.507 -14.182 521 HD3 ARG 64 HD3 ARG 64 2.316 -6.223 -14.181 522 HE ARG 64 HE ARG 64 -0.073 -4.824 -14.353 523 HH11 ARG 64 HH11 ARG 64 2.824 -5.238 -16.244 524 HH12 ARG 64 HH12 ARG 64 2.024 -4.984 -17.759 525 HH21 ARG 64 HH21 ARG 64 -1.133 -4.487 -16.343 526 HH22 ARG 64 HH22 ARG 64 -0.224 -4.556 -17.815 527 H ASN 65 H ASN 65 3.587 -8.228 -9.586 528 HA ASN 65 HA ASN 65 5.274 -8.924 -8.236 529 HB2 ASN 65 HB2 ASN 65 6.506 -9.055 -10.585 530 HB3 ASN 65 HB3 ASN 65 7.422 -7.713 -9.907 531 HD21 ASN 65 HD21 ASN 65 6.025 -10.286 -8.017 532 HD22 ASN 65 HD22 ASN 65 7.515 -11.005 -7.534 533 H LEU 66 H LEU 66 4.092 -6.157 -8.349 534 HA LEU 66 HA LEU 66 6.203 -4.524 -7.151 535 HB2 LEU 66 HB2 LEU 66 3.310 -3.761 -7.327 536 HB3 LEU 66 HB3 LEU 66 4.698 -2.710 -7.179 537 HG LEU 66 HG LEU 66 3.619 -4.067 -9.613 538 HD11 LEU 66 HD11 LEU 66 4.684 -1.306 -9.072 539 HD12 LEU 66 HD12 LEU 66 2.981 -1.767 -9.091 540 HD13 LEU 66 HD13 LEU 66 3.937 -1.858 -10.571 541 HD21 LEU 66 HD21 LEU 66 6.449 -3.073 -9.326 542 HD22 LEU 66 HD22 LEU 66 5.679 -3.590 -10.825 543 HD23 LEU 66 HD23 LEU 66 5.967 -4.756 -9.532 544 H VAL 67 H VAL 67 3.623 -6.568 -6.284 545 HA VAL 67 HA VAL 67 4.121 -6.005 -3.438 546 HB VAL 67 HB VAL 67 1.689 -6.854 -3.163 547 HG11 VAL 67 HG11 VAL 67 0.813 -4.611 -3.400 548 HG12 VAL 67 HG12 VAL 67 2.151 -4.170 -4.459 549 HG13 VAL 67 HG13 VAL 67 2.454 -4.533 -2.760 550 HG21 VAL 67 HG21 VAL 67 1.558 -5.925 -6.021 551 HG22 VAL 67 HG22 VAL 67 0.224 -6.514 -5.028 552 HG23 VAL 67 HG23 VAL 67 1.514 -7.611 -5.516 553 H LEU 68 H LEU 68 3.351 -7.918 -2.044 554 HA LEU 68 HA LEU 68 4.139 -10.433 -3.370 555 HB2 LEU 68 HB2 LEU 68 5.749 -9.477 -1.685 556 HB3 LEU 68 HB3 LEU 68 4.513 -9.726 -0.468 557 HG LEU 68 HG LEU 68 4.540 -12.172 -1.050 558 HD11 LEU 68 HD11 LEU 68 6.495 -13.032 -2.235 559 HD12 LEU 68 HD12 LEU 68 7.014 -11.381 -2.579 560 HD13 LEU 68 HD13 LEU 68 5.512 -11.997 -3.271 561 HD21 LEU 68 HD21 LEU 68 7.113 -10.965 -0.050 562 HD22 LEU 68 HD22 LEU 68 6.590 -12.631 0.192 563 HD23 LEU 68 HD23 LEU 68 5.679 -11.307 0.917 564 H ARG 69 H ARG 69 2.907 -12.245 -3.020 565 HA ARG 69 HA ARG 69 0.430 -11.823 -1.486 566 HB2 ARG 69 HB2 ARG 69 -0.532 -13.645 -3.006 567 HB3 ARG 69 HB3 ARG 69 -0.331 -12.038 -3.688 568 HG2 ARG 69 HG2 ARG 69 1.483 -12.678 -4.983 569 HG3 ARG 69 HG3 ARG 69 1.781 -14.128 -4.022 570 HD2 ARG 69 HD2 ARG 69 -0.305 -15.099 -4.849 571 HD3 ARG 69 HD3 ARG 69 -0.602 -13.650 -5.808 572 HE ARG 69 HE ARG 69 1.905 -14.662 -6.512 573 HH11 ARG 69 HH11 ARG 69 -1.458 -15.547 -6.735 574 HH12 ARG 69 HH12 ARG 69 -1.250 -16.478 -8.181 575 HH21 ARG 69 HH21 ARG 69 2.188 -15.886 -8.416 576 HH22 ARG 69 HH22 ARG 69 0.821 -16.671 -9.135 577 H THR 70 H THR 70 -0.278 -13.494 -0.168 578 HA THR 70 HA THR 70 1.521 -15.799 0.072 579 HB THR 70 HB THR 70 1.476 -15.719 2.415 580 HG1 THR 70 HG1 THR 70 -0.404 -15.170 3.218 581 HG21 THR 70 HG21 THR 70 1.667 -12.887 1.402 582 HG22 THR 70 HG22 THR 70 2.972 -14.071 1.457 583 HG23 THR 70 HG23 THR 70 2.274 -13.456 2.955 584 H HIS 71 H HIS 71 0.376 -17.112 2.045 585 HA HIS 71 HA HIS 71 -1.046 -19.108 1.203 586 HB2 HIS 71 HB2 HIS 71 -0.672 -17.780 3.645 587 HB3 HIS 71 HB3 HIS 71 -2.379 -18.167 3.573 588 HD1 HIS 71 HD1 HIS 71 -2.637 -20.916 2.709 589 HD2 HIS 71 HD2 HIS 71 0.706 -19.685 4.848 590 HE1 HIS 71 HE1 HIS 71 -1.661 -23.018 3.689 591 HE2 HIS 71 HE2 HIS 71 0.312 -22.240 5.055 592 H GLN 72 H GLN 72 -3.056 -16.499 2.609 593 HA GLN 72 HA GLN 72 -4.628 -15.246 1.056 594 HB2 GLN 72 HB2 GLN 72 -5.246 -18.098 0.326 595 HB3 GLN 72 HB3 GLN 72 -6.349 -16.764 0.044 596 HG2 GLN 72 HG2 GLN 72 -4.704 -15.686 -1.394 597 HG3 GLN 72 HG3 GLN 72 -3.577 -17.011 -1.107 598 HE21 GLN 72 HE21 GLN 72 -3.970 -19.017 -2.042 599 HE22 GLN 72 HE22 GLN 72 -5.084 -19.221 -3.347 600 HA PRO 73 HA PRO 73 -6.501 -13.679 1.665 601 HB2 PRO 73 HB2 PRO 73 -5.663 -12.787 4.395 602 HB3 PRO 73 HB3 PRO 73 -6.846 -12.072 3.293 603 HG2 PRO 73 HG2 PRO 73 -7.653 -13.517 5.366 604 HG3 PRO 73 HG3 PRO 73 -8.469 -13.655 3.796 605 HD2 PRO 73 HD2 PRO 73 -6.582 -15.537 5.126 606 HD3 PRO 73 HD3 PRO 73 -7.954 -15.879 4.054 607 H ALA 74 H ALA 74 -4.833 -13.137 0.407 608 HA ALA 74 HA ALA 74 -2.185 -14.034 0.962 609 HB1 ALA 74 HB1 ALA 74 -3.073 -13.943 -1.314 610 HB2 ALA 74 HB2 ALA 74 -1.615 -12.966 -1.141 611 HB3 ALA 74 HB3 ALA 74 -3.197 -12.188 -1.193 612 H ARG 75 H ARG 75 -1.112 -13.094 2.553 613 HA ARG 75 HA ARG 75 -1.376 -10.422 3.407 614 HB2 ARG 75 HB2 ARG 75 1.111 -12.145 3.585 615 HB3 ARG 75 HB3 ARG 75 0.674 -10.807 4.638 616 HG2 ARG 75 HG2 ARG 75 -0.859 -12.039 5.807 617 HG3 ARG 75 HG3 ARG 75 -1.185 -13.122 4.454 618 HD2 ARG 75 HD2 ARG 75 0.731 -14.400 4.855 619 HD3 ARG 75 HD3 ARG 75 1.483 -13.127 5.825 620 HE ARG 75 HE ARG 75 -0.862 -13.946 7.110 621 HH11 ARG 75 HH11 ARG 75 2.280 -15.205 6.282 622 HH12 ARG 75 HH12 ARG 75 2.342 -16.290 7.631 623 HH21 ARG 75 HH21 ARG 75 -0.788 -15.370 8.888 624 HH22 ARG 75 HH22 ARG 75 0.598 -16.384 9.112 625 H TYR 76 H TYR 76 -0.849 -8.621 2.217 626 HA TYR 76 HA TYR 76 1.062 -8.927 0.135 627 HB2 TYR 76 HB2 TYR 76 -0.747 -6.632 0.857 628 HB3 TYR 76 HB3 TYR 76 0.236 -6.718 -0.604 629 HD1 TYR 76 HD1 TYR 76 -0.060 -9.244 -1.731 630 HD2 TYR 76 HD2 TYR 76 -2.988 -7.060 0.449 631 HE1 TYR 76 HE1 TYR 76 -1.830 -10.520 -2.859 632 HE2 TYR 76 HE2 TYR 76 -4.773 -8.332 -0.670 633 HH TYR 76 HH TYR 76 -4.177 -11.147 -2.468 634 H SER 77 H SER 77 2.958 -7.959 -0.184 635 HA SER 77 HA SER 77 3.982 -6.174 1.849 636 HB2 SER 77 HB2 SER 77 4.730 -8.363 2.667 637 HB3 SER 77 HB3 SER 77 5.437 -8.719 1.091 638 HG SER 77 HG SER 77 7.111 -7.555 1.597 639 H LEU 78 H LEU 78 5.109 -4.562 0.910 640 HA LEU 78 HA LEU 78 5.279 -4.192 -1.781 641 HB2 LEU 78 HB2 LEU 78 6.842 -3.066 0.501 642 HB3 LEU 78 HB3 LEU 78 7.305 -2.655 -1.136 643 HG LEU 78 HG LEU 78 4.724 -2.008 0.265 644 HD11 LEU 78 HD11 LEU 78 6.746 -0.249 -1.103 645 HD12 LEU 78 HD12 LEU 78 6.753 -0.599 0.624 646 HD13 LEU 78 HD13 LEU 78 5.389 0.255 -0.096 647 HD21 LEU 78 HD21 LEU 78 4.105 -2.676 -1.957 648 HD22 LEU 78 HD22 LEU 78 5.425 -1.736 -2.652 649 HD23 LEU 78 HD23 LEU 78 4.076 -0.915 -1.871 650 H THR 79 H THR 79 6.388 -5.342 -3.328 651 HA THR 79 HA THR 79 8.865 -6.577 -2.701 652 HB THR 79 HB THR 79 8.460 -6.510 -5.519 653 HG1 THR 79 HG1 THR 79 6.259 -7.371 -5.482 654 HG21 THR 79 HG21 THR 79 8.029 -8.893 -5.241 655 HG22 THR 79 HG22 THR 79 7.761 -8.659 -3.514 656 HG23 THR 79 HG23 THR 79 9.363 -8.396 -4.201 657 HA PRO 80 HA PRO 80 12.122 -3.873 -4.131 658 HB2 PRO 80 HB2 PRO 80 11.937 -4.987 -6.909 659 HB3 PRO 80 HB3 PRO 80 13.369 -4.604 -5.952 660 HG2 PRO 80 HG2 PRO 80 12.550 -7.113 -6.153 661 HG3 PRO 80 HG3 PRO 80 13.129 -6.486 -4.599 662 HD2 PRO 80 HD2 PRO 80 10.360 -7.096 -5.484 663 HD3 PRO 80 HD3 PRO 80 11.068 -7.167 -3.858 664 H GLU 81 H GLU 81 9.755 -4.192 -6.805 665 HA GLU 81 HA GLU 81 10.242 -1.520 -7.739 666 HB2 GLU 81 HB2 GLU 81 7.975 -3.421 -8.349 667 HB3 GLU 81 HB3 GLU 81 8.312 -1.924 -9.203 668 HG2 GLU 81 HG2 GLU 81 10.490 -2.838 -9.895 669 HG3 GLU 81 HG3 GLU 81 10.075 -4.355 -9.097 670 H GLY 82 H GLY 82 7.870 -3.079 -5.619 671 HA2 GLY 82 HA2 GLY 82 6.067 -0.823 -5.556 672 HA3 GLY 82 HA3 GLY 82 6.057 -2.197 -4.469 673 H LEU 83 H LEU 83 8.968 -1.819 -3.946 674 HA LEU 83 HA LEU 83 8.672 -0.178 -1.619 675 HB2 LEU 83 HB2 LEU 83 10.396 -2.196 -2.424 676 HB3 LEU 83 HB3 LEU 83 11.405 -0.765 -2.444 677 HG LEU 83 HG LEU 83 11.606 -1.895 -0.310 678 HD11 LEU 83 HD11 LEU 83 10.032 0.664 -0.089 679 HD12 LEU 83 HD12 LEU 83 11.781 0.519 -0.267 680 HD13 LEU 83 HD13 LEU 83 10.992 -0.062 1.201 681 HD21 LEU 83 HD21 LEU 83 8.636 -1.476 -0.038 682 HD22 LEU 83 HD22 LEU 83 9.710 -2.138 1.194 683 HD23 LEU 83 HD23 LEU 83 9.440 -3.023 -0.307 684 H GLU 84 H GLU 84 10.774 0.045 -4.491 685 HA GLU 84 HA GLU 84 11.591 2.596 -4.159 686 HB2 GLU 84 HB2 GLU 84 10.949 1.303 -6.816 687 HB3 GLU 84 HB3 GLU 84 11.987 2.704 -6.590 688 HG2 GLU 84 HG2 GLU 84 13.523 1.339 -5.262 689 HG3 GLU 84 HG3 GLU 84 12.485 -0.059 -5.526 690 H LEU 85 H LEU 85 8.614 1.584 -5.769 691 HA LEU 85 HA LEU 85 7.916 4.166 -6.774 692 HB2 LEU 85 HB2 LEU 85 6.872 1.490 -6.835 693 HB3 LEU 85 HB3 LEU 85 5.612 2.603 -6.353 694 HG LEU 85 HG LEU 85 7.268 2.844 -8.864 695 HD11 LEU 85 HD11 LEU 85 4.415 1.953 -8.479 696 HD12 LEU 85 HD12 LEU 85 5.770 0.928 -8.951 697 HD13 LEU 85 HD13 LEU 85 5.216 2.208 -10.029 698 HD21 LEU 85 HD21 LEU 85 4.857 4.402 -7.937 699 HD22 LEU 85 HD22 LEU 85 5.673 4.578 -9.492 700 HD23 LEU 85 HD23 LEU 85 6.514 5.004 -8.001 701 H ALA 86 H ALA 86 7.249 2.264 -3.872 702 HA ALA 86 HA ALA 86 5.191 3.875 -2.790 703 HB1 ALA 86 HB1 ALA 86 5.749 2.844 -0.654 704 HB2 ALA 86 HB2 ALA 86 7.242 2.206 -1.342 705 HB3 ALA 86 HB3 ALA 86 5.682 1.642 -1.942 706 H GLN 87 H GLN 87 8.725 4.067 -2.580 707 HA GLN 87 HA GLN 87 8.857 6.068 -0.574 708 HB2 GLN 87 HB2 GLN 87 10.736 5.419 -2.856 709 HB3 GLN 87 HB3 GLN 87 11.104 6.559 -1.572 710 HG2 GLN 87 HG2 GLN 87 10.933 4.766 0.075 711 HG3 GLN 87 HG3 GLN 87 10.558 3.622 -1.213 712 HE21 GLN 87 HE21 GLN 87 12.180 2.990 -2.636 713 HE22 GLN 87 HE22 GLN 87 13.854 3.244 -2.293 714 H LYS 88 H LYS 88 8.636 6.147 -4.087 715 HA LYS 88 HA LYS 88 8.580 8.870 -4.400 716 HB2 LYS 88 HB2 LYS 88 7.017 6.969 -6.137 717 HB3 LYS 88 HB3 LYS 88 7.813 8.464 -6.601 718 HG2 LYS 88 HG2 LYS 88 9.992 7.442 -6.211 719 HG3 LYS 88 HG3 LYS 88 9.205 5.952 -5.709 720 HD2 LYS 88 HD2 LYS 88 8.143 5.854 -7.978 721 HD3 LYS 88 HD3 LYS 88 9.180 7.202 -8.446 722 HE2 LYS 88 HE2 LYS 88 11.159 5.854 -7.888 723 HE3 LYS 88 HE3 LYS 88 10.112 4.502 -7.456 724 HZ1 LYS 88 HZ1 LYS 88 10.986 4.260 -9.691 725 HZ2 LYS 88 HZ2 LYS 88 10.317 5.744 -10.148 726 HZ3 LYS 88 HZ3 LYS 88 9.305 4.452 -9.736 727 H LEU 89 H LEU 89 5.835 6.660 -3.964 728 HA LEU 89 HA LEU 89 3.780 8.582 -4.350 729 HB2 LEU 89 HB2 LEU 89 3.950 5.880 -3.059 730 HB3 LEU 89 HB3 LEU 89 2.493 6.844 -2.924 731 HG LEU 89 HG LEU 89 2.282 6.861 -5.372 732 HD11 LEU 89 HD11 LEU 89 4.613 4.964 -5.373 733 HD12 LEU 89 HD12 LEU 89 4.676 6.645 -5.902 734 HD13 LEU 89 HD13 LEU 89 3.671 5.484 -6.769 735 HD21 LEU 89 HD21 LEU 89 1.559 4.589 -5.622 736 HD22 LEU 89 HD22 LEU 89 1.225 5.101 -3.968 737 HD23 LEU 89 HD23 LEU 89 2.610 4.064 -4.308 738 H ALA 90 H ALA 90 5.810 7.590 -1.737 739 HA ALA 90 HA ALA 90 4.424 8.883 0.330 740 HB1 ALA 90 HB1 ALA 90 6.036 7.079 0.693 741 HB2 ALA 90 HB2 ALA 90 6.420 8.501 1.664 742 HB3 ALA 90 HB3 ALA 90 7.345 8.154 0.202 743 H GLU 91 H GLU 91 6.868 10.014 -1.885 744 HA GLU 91 HA GLU 91 7.753 12.297 -0.648 745 HB2 GLU 91 HB2 GLU 91 7.046 12.266 -3.578 746 HB3 GLU 91 HB3 GLU 91 8.326 13.176 -2.784 747 HG2 GLU 91 HG2 GLU 91 9.517 11.120 -2.306 748 HG3 GLU 91 HG3 GLU 91 8.210 10.194 -3.041 749 H SER 92 H SER 92 4.892 11.964 -2.690 750 HA SER 92 HA SER 92 3.893 14.497 -2.461 751 HB2 SER 92 HB2 SER 92 3.032 12.794 -4.003 752 HB3 SER 92 HB3 SER 92 2.330 11.914 -2.647 753 HG SER 92 HG SER 92 1.415 14.145 -3.953 754 H GLU 93 H GLU 93 3.913 12.016 -0.054 755 HA GLU 93 HA GLU 93 1.840 13.340 1.550 756 HB2 GLU 93 HB2 GLU 93 3.318 10.809 2.246 757 HB3 GLU 93 HB3 GLU 93 1.790 11.387 2.888 758 HG2 GLU 93 HG2 GLU 93 2.177 10.555 0.031 759 HG3 GLU 93 HG3 GLU 93 1.638 9.465 1.306 760 H GLY 94 H GLY 94 5.145 13.294 1.024 761 HA2 GLY 94 HA2 GLY 94 6.670 14.776 2.087 762 HA3 GLY 94 HA3 GLY 94 5.565 14.884 3.455 763 H LEU 95 H LEU 95 5.535 11.775 2.541 764 HA LEU 95 HA LEU 95 6.401 9.833 3.298 765 HB2 LEU 95 HB2 LEU 95 8.582 11.307 2.509 766 HB3 LEU 95 HB3 LEU 95 9.000 10.860 4.153 767 HG LEU 95 HG LEU 95 8.522 9.077 1.787 768 HD11 LEU 95 HD11 LEU 95 10.736 9.267 3.820 769 HD12 LEU 95 HD12 LEU 95 10.784 9.870 2.163 770 HD13 LEU 95 HD13 LEU 95 10.672 8.137 2.467 771 HD21 LEU 95 HD21 LEU 95 8.482 8.260 4.690 772 HD22 LEU 95 HD22 LEU 95 8.629 7.147 3.331 773 HD23 LEU 95 HD23 LEU 95 7.163 8.110 3.526 774 H SER 96 H SER 96 5.053 11.682 5.059 775 HA SER 96 HA SER 96 6.405 11.307 7.637 776 HB2 SER 96 HB2 SER 96 4.019 13.010 6.870 777 HB3 SER 96 HB3 SER 96 4.656 12.862 8.508 778 HG SER 96 HG SER 96 5.521 14.689 7.515 779 H LEU 97 H LEU 97 5.379 9.024 6.361 780 HA LEU 97 HA LEU 97 2.697 8.508 7.374 781 HB2 LEU 97 HB2 LEU 97 4.623 6.739 5.865 782 HB3 LEU 97 HB3 LEU 97 3.003 6.277 6.345 783 HG LEU 97 HG LEU 97 2.192 8.252 4.937 784 HD11 LEU 97 HD11 LEU 97 5.011 8.025 3.892 785 HD12 LEU 97 HD12 LEU 97 4.285 9.427 4.677 786 HD13 LEU 97 HD13 LEU 97 3.703 8.901 3.098 787 HD21 LEU 97 HD21 LEU 97 1.912 5.925 4.280 788 HD22 LEU 97 HD22 LEU 97 3.533 5.915 3.587 789 HD23 LEU 97 HD23 LEU 97 2.279 6.934 2.882 790 H LEU 98 H LEU 98 5.466 6.306 7.453 791 HA LEU 98 HA LEU 98 4.896 5.618 10.152 792 HB2 LEU 98 HB2 LEU 98 5.723 3.999 8.486 793 HB3 LEU 98 HB3 LEU 98 7.255 4.850 8.432 794 HG LEU 98 HG LEU 98 7.608 4.298 10.827 795 HD11 LEU 98 HD11 LEU 98 5.124 2.628 10.468 796 HD12 LEU 98 HD12 LEU 98 5.285 4.048 11.500 797 HD13 LEU 98 HD13 LEU 98 6.201 2.586 11.864 798 HD21 LEU 98 HD21 LEU 98 8.119 1.934 10.466 799 HD22 LEU 98 HD22 LEU 98 8.589 2.916 9.078 800 HD23 LEU 98 HD23 LEU 98 7.121 1.940 9.011 801 H ASN 99 H ASN 99 6.177 5.855 11.993 802 HA ASN 99 HA ASN 99 7.466 6.989 13.475 803 HB2 ASN 99 HB2 ASN 99 9.299 5.947 12.232 804 HB3 ASN 99 HB3 ASN 99 9.295 7.282 11.083 805 HD21 ASN 99 HD21 ASN 99 10.100 6.272 14.305 806 HD22 ASN 99 HD22 ASN 99 11.090 7.632 14.702 807 H VAL 100 H VAL 100 6.296 8.759 14.026 808 HA VAL 100 HA VAL 100 6.989 11.259 12.652 809 HB VAL 100 HB VAL 100 4.665 12.059 12.871 810 HG11 VAL 100 HG11 VAL 100 3.728 10.756 11.017 811 HG12 VAL 100 HG12 VAL 100 4.966 9.523 11.264 812 HG13 VAL 100 HG13 VAL 100 5.427 11.145 10.749 813 HG21 VAL 100 HG21 VAL 100 2.863 10.452 13.305 814 HG22 VAL 100 HG22 VAL 100 3.935 10.621 14.695 815 HG23 VAL 100 HG23 VAL 100 4.063 9.207 13.649 816 H GLY 101 H GLY 101 6.510 9.515 15.522 817 HA2 GLY 101 HA2 GLY 101 7.652 10.941 17.356 818 HA3 GLY 101 HA3 GLY 101 6.219 11.938 17.162 819 H ILE 102 H ILE 102 4.658 11.569 18.574 820 HA ILE 102 HA ILE 102 4.467 8.883 19.770 821 HB ILE 102 HB ILE 102 3.382 10.119 21.733 822 HG12 ILE 102 HG12 ILE 102 4.353 12.462 22.009 823 HG13 ILE 102 HG13 ILE 102 4.706 12.417 20.286 824 HG21 ILE 102 HG21 ILE 102 5.562 10.564 22.762 825 HG22 ILE 102 HG22 ILE 102 6.322 10.475 21.173 826 HG23 ILE 102 HG23 ILE 102 5.553 9.046 21.864 827 HD11 ILE 102 HD11 ILE 102 2.630 13.608 20.801 828 HD12 ILE 102 HD12 ILE 102 1.967 12.130 21.498 829 HD13 ILE 102 HD13 ILE 102 2.355 12.198 19.779 830 H GLY 103 H GLY 103 2.184 8.646 20.869 831 HA2 GLY 103 HA2 GLY 103 -0.181 9.207 20.716 832 HA3 GLY 103 HA3 GLY 103 0.119 9.757 19.075
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