NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
609567 | 5tbn | 30177 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -3 H1 GLY -3 8.516 -1.901 4.341 2 H2 GLY -3 H2 GLY -3 8.770 -0.913 3.058 3 H3 GLY -3 H3 GLY -3 7.325 -0.902 3.825 4 HA2 GLY -3 HA2 GLY -3 6.853 -3.171 3.133 5 HA3 GLY -3 HA3 GLY -3 7.101 -2.093 1.748 6 H HIS -2 H HIS -2 7.524 -5.080 2.223 7 HA HIS -2 HA HIS -2 10.216 -5.777 2.473 8 HB2 HIS -2 HB2 HIS -2 8.039 -7.261 0.948 9 HB3 HIS -2 HB3 HIS -2 9.506 -7.965 1.621 10 HD2 HIS -2 HD2 HIS -2 9.424 -8.788 4.094 11 HE1 HIS -2 HE1 HIS -2 5.627 -7.207 5.232 12 HE2 HIS -2 HE2 HIS -2 7.560 -8.699 5.959 13 H MET -1 H MET -1 8.711 -4.553 -0.432 14 HA MET -1 HA MET -1 10.400 -5.665 -2.447 15 HB2 MET -1 HB2 MET -1 9.796 -3.412 -3.619 16 HB3 MET -1 HB3 MET -1 8.520 -4.597 -3.306 17 HG2 MET -1 HG2 MET -1 9.096 -2.209 -1.501 18 HG3 MET -1 HG3 MET -1 8.067 -2.101 -2.916 19 HE1 MET -1 HE1 MET -1 5.684 -2.996 -3.176 20 HE2 MET -1 HE2 MET -1 6.234 -4.679 -2.983 21 HE3 MET -1 HE3 MET -1 4.872 -4.073 -2.020 22 H ASP 0 H ASP 646 11.037 -2.916 -0.294 23 HA ASP 0 HA ASP 646 12.620 -1.274 -0.315 24 HB2 ASP 0 HB2 ASP 646 14.304 -3.635 -1.237 25 HB3 ASP 0 HB3 ASP 646 15.001 -2.053 -1.016 26 H ARG 1 H ARG 647 11.156 -1.842 -2.785 27 HA ARG 1 HA ARG 647 10.801 -1.163 -4.990 28 HB2 ARG 1 HB2 ARG 647 11.257 0.971 -5.565 29 HB3 ARG 1 HB3 ARG 647 11.279 0.992 -3.818 30 HG2 ARG 1 HG2 ARG 647 13.996 0.530 -4.784 31 HG3 ARG 1 HG3 ARG 647 13.296 1.818 -5.751 32 HD2 ARG 1 HD2 ARG 647 12.724 3.084 -3.742 33 HD3 ARG 1 HD3 ARG 647 13.303 1.791 -2.711 34 HE ARG 1 HE ARG 647 14.901 3.737 -4.265 35 HH11 ARG 1 HH11 ARG 647 15.082 0.833 -2.305 36 HH12 ARG 1 HH12 ARG 647 16.752 1.123 -1.873 37 HH21 ARG 1 HH21 ARG 647 17.033 4.019 -3.730 38 HH22 ARG 1 HH22 ARG 647 17.840 2.865 -2.713 39 H TYR 2 H TYR 648 13.329 -2.844 -4.135 40 HA TYR 2 HA TYR 648 14.844 -2.910 -6.664 41 HB2 TYR 2 HB2 TYR 648 14.990 -4.129 -3.919 42 HB3 TYR 2 HB3 TYR 648 15.770 -4.986 -5.248 43 HD1 TYR 2 HD1 TYR 648 15.519 -1.304 -4.357 44 HD2 TYR 2 HD2 TYR 648 18.096 -4.675 -5.143 45 HE1 TYR 2 HE1 TYR 648 17.473 0.164 -4.141 46 HE2 TYR 2 HE2 TYR 648 20.083 -3.193 -4.916 47 HH TYR 2 HH TYR 648 20.845 -1.061 -4.498 48 H ASP 3 H ASP 649 15.071 -4.752 -7.960 49 HA ASP 3 HA ASP 649 12.775 -6.658 -8.015 50 HB2 ASP 3 HB2 ASP 649 14.990 -6.169 -10.026 51 HB3 ASP 3 HB3 ASP 649 13.660 -7.314 -10.199 52 H PHE 4 H PHE 650 13.045 -8.359 -6.733 53 HA PHE 4 HA PHE 650 15.619 -9.885 -6.677 54 HB2 PHE 4 HB2 PHE 650 13.506 -9.395 -4.526 55 HB3 PHE 4 HB3 PHE 650 14.814 -10.534 -4.387 56 HD1 PHE 4 HD1 PHE 650 13.818 -7.549 -3.134 57 HD2 PHE 4 HD2 PHE 650 17.249 -9.221 -5.149 58 HE1 PHE 4 HE1 PHE 650 15.286 -5.875 -2.042 59 HE2 PHE 4 HE2 PHE 650 18.706 -7.528 -4.073 60 HZ PHE 4 HZ PHE 650 17.731 -5.863 -2.501 61 H GLU 5 H GLU 651 15.494 -12.093 -6.333 62 HA GLU 5 HA GLU 651 13.442 -13.526 -7.813 63 HB2 GLU 5 HB2 GLU 651 15.517 -14.685 -5.886 64 HB3 GLU 5 HB3 GLU 651 14.863 -15.448 -7.323 65 HG2 GLU 5 HG2 GLU 651 16.795 -13.119 -7.418 66 HG3 GLU 5 HG3 GLU 651 17.226 -14.819 -7.491 67 H VAL 6 H VAL 652 11.500 -13.317 -6.997 68 HA VAL 6 HA VAL 652 10.884 -14.024 -4.135 69 HB VAL 6 HB VAL 652 9.940 -11.753 -5.900 70 HG11 VAL 6 HG11 VAL 652 8.495 -11.042 -3.982 71 HG12 VAL 6 HG12 VAL 652 7.943 -12.553 -4.698 72 HG13 VAL 6 HG13 VAL 652 8.845 -12.582 -3.163 73 HG21 VAL 6 HG21 VAL 652 11.207 -11.689 -3.132 74 HG22 VAL 6 HG22 VAL 652 12.050 -11.364 -4.653 75 HG23 VAL 6 HG23 VAL 652 10.747 -10.290 -4.143 76 H VAL 7 H VAL 653 9.897 -15.912 -4.133 77 HA VAL 7 HA VAL 653 8.253 -16.731 -6.389 78 HB VAL 7 HB VAL 653 8.549 -17.972 -3.616 79 HG11 VAL 7 HG11 VAL 653 7.567 -19.992 -4.692 80 HG12 VAL 7 HG12 VAL 653 6.367 -18.691 -4.607 81 HG13 VAL 7 HG13 VAL 653 7.179 -19.003 -6.132 82 HG21 VAL 7 HG21 VAL 653 10.566 -18.027 -5.156 83 HG22 VAL 7 HG22 VAL 653 9.889 -19.646 -4.784 84 HG23 VAL 7 HG23 VAL 653 9.559 -18.881 -6.347 85 H ARG 8 H ARG 654 6.540 -15.523 -6.778 86 HA ARG 8 HA ARG 654 4.377 -15.237 -4.727 87 HB2 ARG 8 HB2 ARG 654 5.841 -13.094 -6.194 88 HB3 ARG 8 HB3 ARG 654 4.085 -13.027 -6.406 89 HG2 ARG 8 HG2 ARG 654 3.814 -12.970 -3.950 90 HG3 ARG 8 HG3 ARG 654 5.534 -13.214 -3.733 91 HD2 ARG 8 HD2 ARG 654 6.014 -10.941 -4.488 92 HD3 ARG 8 HD3 ARG 654 4.678 -10.987 -5.616 93 HE ARG 8 HE ARG 654 3.368 -9.882 -4.052 94 HH11 ARG 8 HH11 ARG 654 5.875 -11.456 -2.139 95 HH12 ARG 8 HH12 ARG 654 5.279 -10.749 -0.666 96 HH21 ARG 8 HH21 ARG 654 2.694 -9.047 -2.152 97 HH22 ARG 8 HH22 ARG 654 3.528 -9.418 -0.677 98 H CYS 9 H CYS 655 3.451 -16.968 -5.460 99 HA CYS 9 HA CYS 655 2.266 -16.976 -8.227 100 HB2 CYS 9 HB2 CYS 655 3.305 -19.071 -7.327 101 HB3 CYS 9 HB3 CYS 655 2.159 -19.053 -6.039 102 H ILE 10 H ILE 656 -0.009 -17.142 -8.541 103 HA ILE 10 HA ILE 656 -1.801 -15.630 -7.012 104 HB ILE 10 HB ILE 656 -3.613 -17.012 -8.098 105 HG12 ILE 10 HG12 ILE 656 -2.983 -18.404 -10.043 106 HG13 ILE 10 HG13 ILE 656 -1.315 -18.492 -9.478 107 HG21 ILE 10 HG21 ILE 656 -1.359 -15.781 -9.698 108 HG22 ILE 10 HG22 ILE 656 -2.981 -16.119 -10.364 109 HG23 ILE 10 HG23 ILE 656 -2.778 -14.983 -9.015 110 HD11 ILE 10 HD11 ILE 656 -2.923 -20.474 -9.091 111 HD12 ILE 10 HD12 ILE 656 -1.946 -19.969 -7.727 112 HD13 ILE 10 HD13 ILE 656 -3.666 -19.494 -7.813 113 H CYS 11 H CYS 657 -0.461 -18.551 -6.258 114 HA CYS 11 HA CYS 657 -2.521 -19.813 -4.657 115 HB2 CYS 11 HB2 CYS 657 0.373 -20.176 -5.363 116 HB3 CYS 11 HB3 CYS 657 -0.240 -21.031 -3.875 117 H GLU 12 H GLU 658 -0.413 -17.089 -4.194 118 HA GLU 12 HA GLU 658 0.634 -16.041 -2.552 119 HB2 GLU 12 HB2 GLU 658 -2.037 -16.675 -1.234 120 HB3 GLU 12 HB3 GLU 658 -0.893 -15.463 -0.602 121 HG2 GLU 12 HG2 GLU 658 -1.017 -14.274 -2.804 122 HG3 GLU 12 HG3 GLU 658 -2.294 -15.385 -3.305 123 H VAL 13 H VAL 659 1.557 -18.407 -2.819 124 HA VAL 13 HA VAL 659 2.627 -19.065 -0.151 125 HB VAL 13 HB VAL 659 0.899 -20.730 -1.194 126 HG11 VAL 13 HG11 VAL 659 1.758 -22.453 -2.622 127 HG12 VAL 13 HG12 VAL 659 1.932 -20.874 -3.421 128 HG13 VAL 13 HG13 VAL 659 3.345 -21.662 -2.722 129 HG21 VAL 13 HG21 VAL 659 2.129 -22.646 -0.187 130 HG22 VAL 13 HG22 VAL 659 3.582 -21.627 -0.063 131 HG23 VAL 13 HG23 VAL 659 2.114 -21.207 0.836 132 H GLN 14 H GLN 660 4.752 -19.038 -0.091 133 HA GLN 14 HA GLN 660 6.359 -18.619 -2.522 134 HB2 GLN 14 HB2 GLN 660 7.089 -18.746 0.393 135 HB3 GLN 14 HB3 GLN 660 8.266 -18.588 -0.919 136 HG2 GLN 14 HG2 GLN 660 7.743 -16.455 0.210 137 HG3 GLN 14 HG3 GLN 660 7.433 -16.424 -1.511 138 HE21 GLN 14 HE21 GLN 660 5.223 -16.081 -2.234 139 HE22 GLN 14 HE22 GLN 660 3.944 -15.730 -1.062 140 H GLU 15 H GLU 661 5.007 -21.362 -1.634 141 HA GLU 15 HA GLU 661 7.035 -23.319 -1.217 142 HB2 GLU 15 HB2 GLU 661 4.681 -23.643 -0.541 143 HB3 GLU 15 HB3 GLU 661 4.200 -23.628 -2.239 144 HG2 GLU 15 HG2 GLU 661 4.228 -25.885 -1.381 145 HG3 GLU 15 HG3 GLU 661 5.405 -25.693 -2.670 146 H GLU 16 H GLU 662 7.587 -25.003 -2.773 147 HA GLU 16 HA GLU 662 7.746 -24.053 -5.473 148 HB2 GLU 16 HB2 GLU 662 9.890 -25.811 -4.851 149 HB3 GLU 16 HB3 GLU 662 9.752 -24.530 -5.973 150 HG2 GLU 16 HG2 GLU 662 11.119 -23.397 -4.748 151 HG3 GLU 16 HG3 GLU 662 9.710 -22.901 -3.895 152 H ASN 17 H ASN 663 6.676 -25.115 -6.429 153 HA ASN 17 HA ASN 663 5.872 -27.912 -6.366 154 HB2 ASN 17 HB2 ASN 663 5.480 -25.758 -8.458 155 HB3 ASN 17 HB3 ASN 663 5.131 -27.424 -8.824 156 HD21 ASN 17 HD21 ASN 663 1.876 -26.366 -7.994 157 HD22 ASN 17 HD22 ASN 663 2.979 -26.516 -9.321 158 H ASP 18 H ASP 664 6.274 -29.256 -8.474 159 HA ASP 18 HA ASP 664 8.984 -29.885 -8.971 160 HB2 ASP 18 HB2 ASP 664 6.509 -30.256 -10.709 161 HB3 ASP 18 HB3 ASP 664 8.059 -30.968 -11.024 162 H PHE 19 H PHE 665 6.902 -27.570 -10.667 163 HA PHE 19 HA PHE 665 9.240 -26.547 -12.136 164 HB2 PHE 19 HB2 PHE 665 7.677 -27.711 -13.744 165 HB3 PHE 19 HB3 PHE 665 6.354 -26.784 -13.094 166 HD1 PHE 19 HD1 PHE 665 5.618 -25.357 -14.773 167 HD2 PHE 19 HD2 PHE 665 9.867 -25.946 -14.190 168 HE1 PHE 19 HE1 PHE 665 6.122 -23.749 -16.593 169 HE2 PHE 19 HE2 PHE 665 10.344 -24.281 -15.935 170 HZ PHE 19 HZ PHE 665 8.466 -23.280 -17.199 171 H MET 20 H MET 666 9.719 -24.400 -12.089 172 HA MET 20 HA MET 666 7.611 -22.519 -11.459 173 HB2 MET 20 HB2 MET 666 10.276 -22.177 -10.098 174 HB3 MET 20 HB3 MET 666 8.942 -21.166 -9.868 175 HG2 MET 20 HG2 MET 666 7.818 -23.454 -9.128 176 HG3 MET 20 HG3 MET 666 9.461 -24.031 -8.972 177 HE1 MET 20 HE1 MET 666 7.713 -20.448 -7.597 178 HE2 MET 20 HE2 MET 666 6.768 -21.922 -7.839 179 HE3 MET 20 HE3 MET 666 7.205 -21.451 -6.183 180 H ILE 21 H ILE 667 7.981 -20.350 -12.182 181 HA ILE 21 HA ILE 667 10.137 -19.981 -14.193 182 HB ILE 21 HB ILE 667 7.359 -18.896 -14.619 183 HG12 ILE 21 HG12 ILE 667 8.260 -21.186 -16.360 184 HG13 ILE 21 HG13 ILE 667 7.676 -21.596 -14.744 185 HG21 ILE 21 HG21 ILE 667 9.387 -19.401 -16.911 186 HG22 ILE 21 HG22 ILE 667 7.821 -18.654 -17.049 187 HG23 ILE 21 HG23 ILE 667 9.085 -17.837 -16.121 188 HD11 ILE 21 HD11 ILE 667 5.684 -20.221 -15.080 189 HD12 ILE 21 HD12 ILE 667 6.195 -20.024 -16.785 190 HD13 ILE 21 HD13 ILE 667 5.859 -21.637 -16.157 191 H GLN 22 H GLN 668 10.588 -17.679 -14.649 192 HA GLN 22 HA GLN 668 9.866 -15.910 -12.316 193 HB2 GLN 22 HB2 GLN 668 12.262 -16.349 -12.318 194 HB3 GLN 22 HB3 GLN 668 12.294 -16.099 -14.091 195 HG2 GLN 22 HG2 GLN 668 12.096 -13.700 -13.906 196 HG3 GLN 22 HG3 GLN 668 11.451 -13.889 -12.298 197 HE21 GLN 22 HE21 GLN 668 13.034 -13.621 -10.516 198 HE22 GLN 22 HE22 GLN 668 14.753 -13.709 -10.859 199 H CYS 23 H CYS 669 8.894 -14.003 -12.626 200 HA CYS 23 HA CYS 669 7.833 -13.183 -15.193 201 HB2 CYS 23 HB2 CYS 669 6.838 -12.674 -12.960 202 HB3 CYS 23 HB3 CYS 669 8.250 -11.728 -12.541 203 H GLU 24 H GLU 670 8.648 -11.901 -16.701 204 HA GLU 24 HA GLU 670 11.463 -11.108 -16.538 205 HB2 GLU 24 HB2 GLU 670 11.144 -10.369 -18.762 206 HB3 GLU 24 HB3 GLU 670 10.367 -11.931 -18.611 207 HG2 GLU 24 HG2 GLU 670 8.484 -10.900 -19.528 208 HG3 GLU 24 HG3 GLU 670 8.289 -10.285 -17.938 209 H GLU 25 H GLU 671 8.536 -9.535 -15.577 210 HA GLU 25 HA GLU 671 9.602 -6.815 -15.970 211 HB2 GLU 25 HB2 GLU 671 7.296 -7.463 -16.459 212 HB3 GLU 25 HB3 GLU 671 7.013 -7.781 -14.806 213 HG2 GLU 25 HG2 GLU 671 6.099 -5.597 -15.648 214 HG3 GLU 25 HG3 GLU 671 7.007 -5.550 -14.157 215 H CYS 26 H CYS 672 8.327 -8.594 -13.153 216 HA CYS 26 HA CYS 672 9.928 -6.852 -11.426 217 HB2 CYS 26 HB2 CYS 672 8.446 -7.344 -9.744 218 HB3 CYS 26 HB3 CYS 672 7.491 -6.804 -11.142 219 H GLN 27 H GLN 673 10.364 -9.875 -12.611 220 HA GLN 27 HA GLN 673 11.724 -11.492 -12.158 221 HB2 GLN 27 HB2 GLN 673 12.687 -9.462 -10.303 222 HB3 GLN 27 HB3 GLN 673 12.918 -10.963 -9.625 223 HG2 GLN 27 HG2 GLN 673 14.815 -11.261 -10.707 224 HG3 GLN 27 HG3 GLN 673 14.011 -11.350 -12.239 225 HE21 GLN 27 HE21 GLN 673 13.376 -9.203 -13.342 226 HE22 GLN 27 HE22 GLN 673 14.604 -7.964 -13.248 227 H CYS 28 H CYS 674 9.040 -11.148 -10.312 228 HA CYS 28 HA CYS 674 9.649 -13.047 -8.292 229 HB2 CYS 28 HB2 CYS 674 7.194 -13.102 -7.978 230 HB3 CYS 28 HB3 CYS 674 7.913 -11.424 -8.076 231 HG CYS 28 HG CYS 674 5.569 -11.379 -9.244 232 H TRP 29 H TRP 675 8.951 -15.183 -7.972 233 HA TRP 29 HA TRP 675 8.875 -16.770 -10.429 234 HB2 TRP 29 HB2 TRP 675 9.886 -17.159 -7.656 235 HB3 TRP 29 HB3 TRP 675 9.620 -18.561 -8.704 236 HD1 TRP 29 HD1 TRP 675 11.808 -15.473 -8.328 237 HE1 TRP 29 HE1 TRP 675 14.070 -15.837 -9.610 238 HE3 TRP 29 HE3 TRP 675 10.614 -19.746 -10.765 239 HZ2 TRP 29 HZ2 TRP 675 15.139 -17.843 -11.305 240 HZ3 TRP 29 HZ3 TRP 675 12.294 -20.848 -12.295 241 HH2 TRP 29 HH2 TRP 675 14.554 -19.911 -12.530 242 H GLN 30 H GLN 676 7.381 -18.456 -10.848 243 HA GLN 30 HA GLN 676 5.245 -18.826 -8.788 244 HB2 GLN 30 HB2 GLN 676 4.808 -18.284 -11.768 245 HB3 GLN 30 HB3 GLN 676 3.547 -18.675 -10.594 246 HG2 GLN 30 HG2 GLN 676 3.339 -16.402 -10.794 247 HG3 GLN 30 HG3 GLN 676 4.223 -16.731 -9.291 248 HE21 GLN 30 HE21 GLN 676 5.264 -14.718 -9.217 249 HE22 GLN 30 HE22 GLN 676 6.472 -14.270 -10.443 250 H HIS 31 H HIS 677 3.866 -20.683 -9.268 251 HA HIS 31 HA HIS 677 5.375 -22.920 -10.445 252 HB2 HIS 31 HB2 HIS 677 2.385 -22.917 -9.859 253 HB3 HIS 31 HB3 HIS 677 3.503 -24.249 -9.908 254 HD2 HIS 31 HD2 HIS 677 5.605 -23.655 -7.955 255 HE1 HIS 31 HE1 HIS 677 2.794 -22.426 -4.979 256 HE2 HIS 31 HE2 HIS 677 5.159 -23.153 -5.355 257 H GLY 32 H GLY 678 5.522 -22.997 -12.672 258 HA2 GLY 32 HA2 GLY 678 4.038 -21.339 -14.304 259 HA3 GLY 32 HA3 GLY 678 4.765 -22.888 -14.883 260 H VAL 33 H VAL 679 3.072 -24.542 -13.266 261 HA VAL 33 HA VAL 679 0.925 -24.884 -15.156 262 HB VAL 33 HB VAL 679 2.127 -26.628 -14.015 263 HG11 VAL 33 HG11 VAL 679 1.472 -27.353 -11.738 264 HG12 VAL 33 HG12 VAL 679 2.143 -25.714 -11.682 265 HG13 VAL 33 HG13 VAL 679 0.388 -25.959 -11.576 266 HG21 VAL 33 HG21 VAL 679 0.245 -28.164 -13.755 267 HG22 VAL 33 HG22 VAL 679 -0.891 -26.813 -13.574 268 HG23 VAL 33 HG23 VAL 679 -0.044 -27.077 -15.119 269 H CYS 34 H CYS 680 1.161 -22.932 -12.318 270 HA CYS 34 HA CYS 680 -1.721 -22.551 -11.764 271 HB2 CYS 34 HB2 CYS 680 0.782 -21.172 -10.791 272 HB3 CYS 34 HB3 CYS 680 -0.818 -20.787 -10.316 273 H MET 35 H MET 681 0.868 -21.159 -13.661 274 HA MET 35 HA MET 681 -0.513 -18.611 -14.321 275 HB2 MET 35 HB2 MET 681 2.286 -19.667 -14.865 276 HB3 MET 35 HB3 MET 681 1.712 -18.067 -15.209 277 HG2 MET 35 HG2 MET 681 1.694 -19.065 -12.359 278 HG3 MET 35 HG3 MET 681 3.101 -18.326 -13.118 279 HE1 MET 35 HE1 MET 681 -0.624 -16.061 -11.753 280 HE2 MET 35 HE2 MET 681 -0.766 -17.684 -12.449 281 HE3 MET 35 HE3 MET 681 0.132 -17.448 -10.928 282 H GLY 36 H GLY 682 -0.252 -21.759 -15.688 283 HA2 GLY 36 HA2 GLY 682 -1.126 -22.589 -17.642 284 HA3 GLY 36 HA3 GLY 682 -1.359 -20.958 -18.280 285 H LEU 37 H LEU 683 1.692 -22.121 -16.951 286 HA LEU 37 HA LEU 683 2.760 -22.510 -19.681 287 HB2 LEU 37 HB2 LEU 683 4.470 -21.259 -17.618 288 HB3 LEU 37 HB3 LEU 683 4.693 -21.121 -19.320 289 HG LEU 37 HG LEU 683 2.241 -19.675 -18.449 290 HD11 LEU 37 HD11 LEU 683 4.806 -18.443 -17.418 291 HD12 LEU 37 HD12 LEU 683 3.121 -17.994 -17.138 292 HD13 LEU 37 HD13 LEU 683 3.780 -19.440 -16.362 293 HD21 LEU 37 HD21 LEU 683 3.358 -17.903 -19.631 294 HD22 LEU 37 HD22 LEU 683 4.908 -18.817 -19.605 295 HD23 LEU 37 HD23 LEU 683 3.493 -19.418 -20.557 296 H LEU 38 H LEU 684 4.737 -23.802 -19.701 297 HA LEU 38 HA LEU 684 5.244 -25.695 -17.559 298 HB2 LEU 38 HB2 LEU 684 3.932 -26.148 -20.243 299 HB3 LEU 38 HB3 LEU 684 5.318 -27.139 -19.917 300 HG LEU 38 HG LEU 684 3.007 -28.039 -19.353 301 HD11 LEU 38 HD11 LEU 684 5.216 -29.012 -18.842 302 HD12 LEU 38 HD12 LEU 684 5.286 -28.086 -17.335 303 HD13 LEU 38 HD13 LEU 684 4.049 -29.359 -17.535 304 HD21 LEU 38 HD21 LEU 684 2.166 -26.138 -18.042 305 HD22 LEU 38 HD22 LEU 684 2.074 -27.701 -17.199 306 HD23 LEU 38 HD23 LEU 684 3.330 -26.537 -16.754 307 H GLU 39 H GLU 685 7.368 -26.805 -18.091 308 HA GLU 39 HA GLU 685 9.354 -25.053 -19.120 309 HB2 GLU 39 HB2 GLU 685 10.747 -27.115 -19.227 310 HB3 GLU 39 HB3 GLU 685 10.068 -26.820 -17.633 311 HG2 GLU 39 HG2 GLU 685 9.979 -29.125 -17.952 312 HG3 GLU 39 HG3 GLU 685 8.336 -28.513 -17.963 313 H GLU 40 H GLU 686 7.237 -27.239 -20.862 314 HA GLU 40 HA GLU 686 8.685 -27.080 -23.364 315 HB2 GLU 40 HB2 GLU 686 6.506 -27.526 -24.481 316 HB3 GLU 40 HB3 GLU 686 7.091 -28.781 -23.383 317 HG2 GLU 40 HG2 GLU 686 5.449 -28.328 -21.796 318 HG3 GLU 40 HG3 GLU 686 5.066 -26.718 -22.464 319 H ASN 41 H ASN 687 6.286 -24.914 -21.892 320 HA ASN 41 HA ASN 687 6.188 -23.312 -24.401 321 HB2 ASN 41 HB2 ASN 687 4.520 -23.139 -21.907 322 HB3 ASN 41 HB3 ASN 687 4.212 -22.275 -23.344 323 HD21 ASN 41 HD21 ASN 687 1.806 -25.007 -23.205 324 HD22 ASN 41 HD22 ASN 687 2.206 -23.701 -22.139 325 H VAL 42 H VAL 688 8.163 -23.045 -21.719 326 HA VAL 42 HA VAL 688 7.784 -20.530 -20.604 327 HB VAL 42 HB VAL 688 10.441 -21.831 -21.174 328 HG11 VAL 42 HG11 VAL 688 10.770 -19.381 -20.785 329 HG12 VAL 42 HG12 VAL 688 9.830 -19.521 -19.290 330 HG13 VAL 42 HG13 VAL 688 11.389 -20.372 -19.493 331 HG21 VAL 42 HG21 VAL 688 10.347 -22.690 -19.072 332 HG22 VAL 42 HG22 VAL 688 8.898 -21.695 -18.628 333 HG23 VAL 42 HG23 VAL 688 8.802 -23.042 -19.784 334 HA PRO 43 HA PRO 689 8.556 -18.027 -24.280 335 HB2 PRO 43 HB2 PRO 689 7.291 -15.755 -23.431 336 HB3 PRO 43 HB3 PRO 689 6.364 -17.193 -23.921 337 HG2 PRO 43 HG2 PRO 689 7.115 -16.299 -21.152 338 HG3 PRO 43 HG3 PRO 689 5.508 -16.821 -21.745 339 HD2 PRO 43 HD2 PRO 689 7.249 -18.525 -20.430 340 HD3 PRO 43 HD3 PRO 689 6.178 -19.105 -21.672 341 H GLU 44 H GLU 690 9.561 -15.824 -24.607 342 HA GLU 44 HA GLU 690 12.011 -15.638 -22.950 343 HB2 GLU 44 HB2 GLU 690 11.069 -14.505 -25.572 344 HB3 GLU 44 HB3 GLU 690 12.146 -13.480 -24.620 345 HG2 GLU 44 HG2 GLU 690 13.863 -15.177 -24.531 346 HG3 GLU 44 HG3 GLU 690 12.833 -16.366 -25.319 347 H LYS 45 H LYS 691 8.942 -13.927 -23.401 348 HA LYS 45 HA LYS 691 9.467 -12.468 -20.876 349 HB2 LYS 45 HB2 LYS 691 8.249 -11.396 -23.450 350 HB3 LYS 45 HB3 LYS 691 8.056 -10.683 -21.887 351 HG2 LYS 45 HG2 LYS 691 10.552 -10.419 -21.682 352 HG3 LYS 45 HG3 LYS 691 10.718 -10.972 -23.359 353 HD2 LYS 45 HD2 LYS 691 9.284 -9.116 -24.144 354 HD3 LYS 45 HD3 LYS 691 9.049 -8.568 -22.490 355 HE2 LYS 45 HE2 LYS 691 11.660 -8.530 -24.080 356 HE3 LYS 45 HE3 LYS 691 10.648 -7.154 -23.633 357 HZ1 LYS 45 HZ1 LYS 691 11.096 -7.895 -21.224 358 HZ2 LYS 45 HZ2 LYS 691 12.319 -8.795 -21.823 359 HZ3 LYS 45 HZ3 LYS 691 12.343 -7.173 -22.029 360 H TYR 46 H TYR 692 8.412 -14.228 -19.940 361 HA TYR 46 HA TYR 692 5.441 -14.080 -20.118 362 HB2 TYR 46 HB2 TYR 692 5.809 -16.238 -19.394 363 HB3 TYR 46 HB3 TYR 692 7.363 -15.895 -18.700 364 HD1 TYR 46 HD1 TYR 692 3.693 -15.612 -18.112 365 HD2 TYR 46 HD2 TYR 692 7.665 -15.552 -16.466 366 HE1 TYR 46 HE1 TYR 692 2.737 -15.425 -15.776 367 HE2 TYR 46 HE2 TYR 692 6.720 -15.522 -14.157 368 HH TYR 46 HH TYR 692 4.840 -15.626 -12.960 369 H THR 47 H THR 693 4.285 -12.652 -19.216 370 HA THR 47 HA THR 693 5.214 -10.939 -16.976 371 HB THR 47 HB THR 693 2.849 -9.986 -17.502 372 HG1 THR 47 HG1 THR 693 2.171 -11.345 -19.125 373 HG21 THR 47 HG21 THR 693 3.833 -8.360 -19.033 374 HG22 THR 47 HG22 THR 693 4.934 -8.716 -17.688 375 HG23 THR 47 HG23 THR 693 5.231 -9.433 -19.292 376 H CYS 48 H CYS 694 4.466 -11.187 -14.957 377 HA CYS 48 HA CYS 694 2.622 -13.374 -14.361 378 HB2 CYS 48 HB2 CYS 694 3.494 -13.195 -12.190 379 HB3 CYS 48 HB3 CYS 694 4.855 -12.681 -13.073 380 H TYR 49 H TYR 695 0.596 -13.227 -13.346 381 HA TYR 49 HA TYR 695 -1.178 -11.246 -13.678 382 HB2 TYR 49 HB2 TYR 695 -2.368 -12.206 -11.978 383 HB3 TYR 49 HB3 TYR 695 -1.434 -13.529 -12.645 384 HD1 TYR 49 HD1 TYR 695 1.007 -13.890 -11.419 385 HD2 TYR 49 HD2 TYR 695 -2.483 -12.056 -9.631 386 HE1 TYR 49 HE1 TYR 695 1.924 -14.306 -9.176 387 HE2 TYR 49 HE2 TYR 695 -1.521 -12.446 -7.372 388 HH TYR 49 HH TYR 695 0.295 -13.221 -6.166 389 H VAL 50 H VAL 696 1.149 -11.040 -10.924 390 HA VAL 50 HA VAL 696 0.075 -8.676 -9.788 391 HB VAL 50 HB VAL 696 2.580 -10.237 -9.530 392 HG11 VAL 50 HG11 VAL 696 3.753 -8.603 -8.174 393 HG12 VAL 50 HG12 VAL 696 3.637 -8.087 -9.856 394 HG13 VAL 50 HG13 VAL 696 2.574 -7.353 -8.625 395 HG21 VAL 50 HG21 VAL 696 0.876 -8.868 -7.451 396 HG22 VAL 50 HG22 VAL 696 0.598 -10.505 -8.090 397 HG23 VAL 50 HG23 VAL 696 2.089 -10.155 -7.212 398 H CYS 51 H CYS 697 2.115 -9.079 -12.639 399 HA CYS 51 HA CYS 697 2.238 -6.179 -13.104 400 HB2 CYS 51 HB2 CYS 697 3.541 -8.449 -14.589 401 HB3 CYS 51 HB3 CYS 697 3.729 -6.744 -14.935 402 H GLN 52 H GLN 698 1.301 -9.183 -15.095 403 HA GLN 52 HA GLN 698 -0.176 -7.361 -16.864 404 HB2 GLN 52 HB2 GLN 698 -0.817 -9.472 -17.949 405 HB3 GLN 52 HB3 GLN 698 0.908 -9.228 -17.956 406 HG2 GLN 52 HG2 GLN 698 1.195 -11.083 -16.596 407 HG3 GLN 52 HG3 GLN 698 -0.322 -11.015 -15.828 408 HE21 GLN 52 HE21 GLN 698 -2.067 -12.443 -16.764 409 HE22 GLN 52 HE22 GLN 698 -1.722 -13.324 -18.243 410 H ASP 53 H ASP 699 -1.166 -9.591 -14.349 411 HA ASP 53 HA ASP 699 -3.142 -10.285 -13.489 412 HB2 ASP 53 HB2 ASP 699 -3.784 -7.934 -13.106 413 HB3 ASP 53 HB3 ASP 699 -4.345 -7.837 -14.758 414 H1 ALA 1 H1 ALA 1 11.878 -14.585 -20.017 415 H2 ALA 1 H2 ALA 1 12.390 -16.131 -20.238 416 H3 ALA 1 H3 ALA 1 13.333 -15.049 -19.440 417 HA ALA 1 HA ALA 1 11.671 -14.892 -17.637 418 HB1 ALA 1 HB1 ALA 1 9.814 -16.505 -17.567 419 HB2 ALA 1 HB2 ALA 1 9.671 -15.489 -19.000 420 HB3 ALA 1 HB3 ALA 1 10.239 -17.166 -19.132 421 H ARG 2 H ARG 2 13.256 -15.715 -16.124 422 HA ARG 2 HA ARG 2 14.936 -17.991 -16.541 423 HB2 ARG 2 HB2 ARG 2 14.828 -15.926 -14.758 424 HB3 ARG 2 HB3 ARG 2 14.271 -17.240 -13.713 425 HG2 ARG 2 HG2 ARG 2 16.275 -18.443 -13.959 426 HG3 ARG 2 HG3 ARG 2 16.890 -17.295 -15.173 427 HD2 ARG 2 HD2 ARG 2 16.958 -15.494 -13.536 428 HD3 ARG 2 HD3 ARG 2 16.126 -16.435 -12.320 429 HE ARG 2 HE ARG 2 18.747 -17.383 -13.453 430 HH11 ARG 2 HH11 ARG 2 17.117 -16.221 -10.498 431 HH12 ARG 2 HH12 ARG 2 18.473 -16.729 -9.535 432 HH21 ARG 2 HH21 ARG 2 20.376 -17.939 -12.106 433 HH22 ARG 2 HH22 ARG 2 20.252 -17.642 -10.402 434 H THR 3 H THR 3 14.905 -20.130 -15.605 435 HA THR 3 HA THR 3 12.403 -21.051 -14.322 436 HB THR 3 HB THR 3 12.471 -23.098 -15.929 437 HG1 THR 3 HG1 THR 3 14.166 -22.494 -17.274 438 HG21 THR 3 HG21 THR 3 10.678 -22.094 -17.144 439 HG22 THR 3 HG22 THR 3 10.605 -21.469 -15.546 440 HG23 THR 3 HG23 THR 3 11.284 -20.453 -16.835 441 H MLY 4 H MLY 4 12.391 -23.063 -13.372 442 HA MLY 4 HA MLY 4 14.946 -24.407 -12.844 443 HB2 MLY 4 HB2 MLY 4 14.878 -23.971 -10.446 444 HB3 MLY 4 HB3 MLY 4 14.756 -22.414 -11.275 445 HG2 MLY 4 HG2 MLY 4 12.216 -22.713 -11.062 446 HG3 MLY 4 HG3 MLY 4 12.561 -23.991 -9.895 447 HD2 MLY 4 HD2 MLY 4 13.857 -21.247 -9.552 448 HD3 MLY 4 HD3 MLY 4 12.158 -21.448 -9.161 449 HE2 MLY 4 HE2 MLY 4 12.703 -23.282 -7.553 450 HE3 MLY 4 HE3 MLY 4 14.407 -23.127 -7.979 451 HH11 MLY 4 HH11 MLY 4 11.999 -20.221 -7.370 452 HH12 MLY 4 HH12 MLY 4 11.573 -21.497 -6.212 453 HH13 MLY 4 HH13 MLY 4 12.505 -20.083 -5.693 454 HH21 MLY 4 HH21 MLY 4 14.329 -21.366 -4.798 455 HH22 MLY 4 HH22 MLY 4 13.482 -22.877 -5.182 456 HH23 MLY 4 HH23 MLY 4 15.136 -22.606 -5.755 457 HZ MLY 4 HZ MLY 4 14.329 -20.828 -7.159 458 H GLN 5 H GLN 5 14.689 -26.409 -11.706 459 HA GLN 5 HA GLN 5 11.946 -27.486 -11.456 460 HB2 GLN 5 HB2 GLN 5 14.176 -28.895 -12.980 461 HB3 GLN 5 HB3 GLN 5 12.634 -29.592 -12.522 462 HG2 GLN 5 HG2 GLN 5 12.339 -29.087 -14.754 463 HG3 GLN 5 HG3 GLN 5 11.477 -27.812 -13.919 464 HE21 GLN 5 HE21 GLN 5 15.018 -28.207 -14.792 465 HE22 GLN 5 HE22 GLN 5 15.070 -26.714 -15.712 466 H THR 6 H THR 6 11.735 -29.237 -10.014 467 HA THR 6 HA THR 6 14.077 -30.341 -8.668 468 HB THR 6 HB THR 6 13.740 -28.253 -7.392 469 HG1 THR 6 HG1 THR 6 13.888 -29.278 -5.430 470 HG21 THR 6 HG21 THR 6 11.090 -29.475 -6.496 471 HG22 THR 6 HG22 THR 6 11.856 -28.004 -5.866 472 HG23 THR 6 HG23 THR 6 11.269 -28.042 -7.534 473 H ALA 7 H ALA 7 13.402 -31.959 -6.970 474 HA ALA 7 HA ALA 7 10.819 -33.283 -7.343 475 HB1 ALA 7 HB1 ALA 7 13.355 -34.606 -8.422 476 HB2 ALA 7 HB2 ALA 7 11.754 -35.378 -8.285 477 HB3 ALA 7 HB3 ALA 7 11.987 -34.011 -9.391 478 H ARG 8 H ARG 8 14.129 -33.485 -6.012 479 HA ARG 8 HA ARG 8 13.109 -34.442 -3.422 480 HB2 ARG 8 HB2 ARG 8 14.534 -36.397 -3.319 481 HB3 ARG 8 HB3 ARG 8 13.460 -36.535 -4.702 482 HG2 ARG 8 HG2 ARG 8 15.292 -35.951 -6.242 483 HG3 ARG 8 HG3 ARG 8 16.367 -35.625 -4.879 484 HD2 ARG 8 HD2 ARG 8 15.959 -38.078 -4.163 485 HD3 ARG 8 HD3 ARG 8 15.222 -38.298 -5.748 486 HE ARG 8 HE ARG 8 17.324 -38.216 -6.749 487 HH11 ARG 8 HH11 ARG 8 17.774 -37.142 -3.397 488 HH12 ARG 8 HH12 ARG 8 19.526 -37.221 -3.594 489 HH21 ARG 8 HH21 ARG 8 19.634 -38.239 -6.751 490 HH22 ARG 8 HH22 ARG 8 20.439 -37.757 -5.250 491 H LYS 9 H LYS 9 14.945 -34.685 -1.823 492 HA LYS 9 HA LYS 9 16.500 -32.299 -1.565 493 HB2 LYS 9 HB2 LYS 9 17.503 -33.354 0.368 494 HB3 LYS 9 HB3 LYS 9 15.772 -33.667 0.339 495 HG2 LYS 9 HG2 LYS 9 16.216 -35.962 -0.560 496 HG3 LYS 9 HG3 LYS 9 17.953 -35.630 -0.496 497 HD2 LYS 9 HD2 LYS 9 17.809 -35.309 1.962 498 HD3 LYS 9 HD3 LYS 9 16.061 -35.628 1.897 499 HE2 LYS 9 HE2 LYS 9 16.521 -37.888 0.944 500 HE3 LYS 9 HE3 LYS 9 18.258 -37.572 1.026 501 HZ1 LYS 9 HZ1 LYS 9 17.500 -38.849 2.956 502 HZ2 LYS 9 HZ2 LYS 9 18.036 -37.393 3.465 503 HZ3 LYS 9 HZ3 LYS 9 16.432 -37.693 3.380 504 H SER 10 H SER 10 18.862 -32.162 -1.298 505 HA SER 10 HA SER 10 20.045 -32.684 -3.848 506 HB2 SER 10 HB2 SER 10 21.891 -31.312 -2.974 507 HB3 SER 10 HB3 SER 10 20.309 -30.586 -2.662 508 HG SER 10 HG SER 10 21.707 -30.540 -0.807 509 H THR 11 H THR 11 19.950 -34.994 -1.513 510 HA THR 11 HA THR 11 22.687 -35.742 -1.145 511 HB THR 11 HB THR 11 21.797 -37.851 -0.254 512 HG1 THR 11 HG1 THR 11 20.000 -38.289 -1.381 513 HG21 THR 11 HG21 THR 11 20.249 -35.417 0.738 514 HG22 THR 11 HG22 THR 11 20.609 -36.904 1.643 515 HG23 THR 11 HG23 THR 11 21.924 -35.818 1.173 516 HN1 NH2 12 H01 THR 11 23.959 -37.262 -2.028 517 HN2 NH2 12 H02 THR 11 23.607 -38.048 -3.551 Start of MODEL 2 1 H1 GLY -3 H1 GLY -3 9.213 0.802 2.723 2 H2 GLY -3 H2 GLY -3 7.833 1.008 3.579 3 H3 GLY -3 H3 GLY -3 8.982 -0.034 4.109 4 HA2 GLY -3 HA2 GLY -3 7.141 -1.269 3.152 5 HA3 GLY -3 HA3 GLY -3 7.362 -0.347 1.653 6 H HIS -2 H HIS -2 7.602 -3.306 2.418 7 HA HIS -2 HA HIS -2 10.248 -4.178 2.533 8 HB2 HIS -2 HB2 HIS -2 7.847 -5.642 1.376 9 HB3 HIS -2 HB3 HIS -2 9.318 -6.380 2.003 10 HD2 HIS -2 HD2 HIS -2 9.398 -6.919 4.562 11 HE1 HIS -2 HE1 HIS -2 5.844 -4.908 5.800 12 HE2 HIS -2 HE2 HIS -2 7.717 -6.465 6.543 13 H MET -1 H MET -1 8.636 -3.132 -0.368 14 HA MET -1 HA MET -1 10.009 -4.605 -2.380 15 HB2 MET -1 HB2 MET -1 9.527 -2.567 -3.787 16 HB3 MET -1 HB3 MET -1 8.117 -3.269 -2.967 17 HG2 MET -1 HG2 MET -1 8.360 -1.364 -1.263 18 HG3 MET -1 HG3 MET -1 9.665 -0.733 -2.242 19 HE1 MET -1 HE1 MET -1 5.817 -1.262 -1.909 20 HE2 MET -1 HE2 MET -1 5.201 -0.723 -3.480 21 HE3 MET -1 HE3 MET -1 6.087 -2.252 -3.363 22 H ASP 0 H ASP 646 11.095 -1.747 -0.628 23 HA ASP 0 HA ASP 646 12.794 -0.288 -0.917 24 HB2 ASP 0 HB2 ASP 646 14.253 -2.888 -1.567 25 HB3 ASP 0 HB3 ASP 646 15.081 -1.352 -1.543 26 H ARG 1 H ARG 647 11.244 -1.096 -3.276 27 HA ARG 1 HA ARG 647 10.887 -0.694 -5.539 28 HB2 ARG 1 HB2 ARG 647 11.436 1.332 -6.385 29 HB3 ARG 1 HB3 ARG 647 11.472 1.568 -4.653 30 HG2 ARG 1 HG2 ARG 647 14.153 0.861 -5.569 31 HG3 ARG 1 HG3 ARG 647 13.510 2.067 -6.668 32 HD2 ARG 1 HD2 ARG 647 13.007 3.567 -4.803 33 HD3 ARG 1 HD3 ARG 647 13.539 2.364 -3.641 34 HE ARG 1 HE ARG 647 15.199 4.072 -5.403 35 HH11 ARG 1 HH11 ARG 647 15.295 1.393 -3.130 36 HH12 ARG 1 HH12 ARG 647 16.969 1.681 -2.732 37 HH21 ARG 1 HH21 ARG 647 17.336 4.333 -4.905 38 HH22 ARG 1 HH22 ARG 647 18.107 3.278 -3.757 39 H TYR 2 H TYR 648 13.298 -2.408 -4.509 40 HA TYR 2 HA TYR 648 14.876 -2.772 -6.963 41 HB2 TYR 2 HB2 TYR 648 14.886 -3.750 -4.128 42 HB3 TYR 2 HB3 TYR 648 15.663 -4.754 -5.352 43 HD1 TYR 2 HD1 TYR 648 15.598 -0.975 -5.076 44 HD2 TYR 2 HD2 TYR 648 17.970 -4.576 -4.886 45 HE1 TYR 2 HE1 TYR 648 17.616 0.394 -4.890 46 HE2 TYR 2 HE2 TYR 648 20.029 -3.183 -4.698 47 HH TYR 2 HH TYR 648 19.941 0.403 -4.751 48 H ASP 3 H ASP 649 15.043 -4.677 -8.134 49 HA ASP 3 HA ASP 649 12.711 -6.534 -8.093 50 HB2 ASP 3 HB2 ASP 649 14.954 -6.223 -10.115 51 HB3 ASP 3 HB3 ASP 649 13.594 -7.343 -10.225 52 H PHE 4 H PHE 650 12.929 -8.169 -6.717 53 HA PHE 4 HA PHE 650 15.500 -9.673 -6.483 54 HB2 PHE 4 HB2 PHE 650 13.218 -9.236 -4.504 55 HB3 PHE 4 HB3 PHE 650 14.567 -10.309 -4.255 56 HD1 PHE 4 HD1 PHE 650 17.000 -9.052 -4.645 57 HD2 PHE 4 HD2 PHE 650 13.316 -7.184 -3.387 58 HE1 PHE 4 HE1 PHE 650 18.290 -7.266 -3.498 59 HE2 PHE 4 HE2 PHE 650 14.611 -5.415 -2.225 60 HZ PHE 4 HZ PHE 650 17.098 -5.462 -2.262 61 H GLU 5 H GLU 651 15.395 -11.891 -6.154 62 HA GLU 5 HA GLU 651 13.428 -13.356 -7.729 63 HB2 GLU 5 HB2 GLU 651 15.310 -14.750 -5.803 64 HB3 GLU 5 HB3 GLU 651 14.986 -15.164 -7.471 65 HG2 GLU 5 HG2 GLU 651 16.885 -13.030 -6.484 66 HG3 GLU 5 HG3 GLU 651 17.280 -14.594 -7.170 67 H VAL 6 H VAL 652 11.461 -13.255 -6.964 68 HA VAL 6 HA VAL 652 10.815 -13.975 -4.112 69 HB VAL 6 HB VAL 652 9.825 -11.725 -5.881 70 HG11 VAL 6 HG11 VAL 652 8.351 -11.069 -3.956 71 HG12 VAL 6 HG12 VAL 652 7.848 -12.588 -4.689 72 HG13 VAL 6 HG13 VAL 652 8.742 -12.605 -3.154 73 HG21 VAL 6 HG21 VAL 652 10.586 -10.251 -4.104 74 HG22 VAL 6 HG22 VAL 652 11.091 -11.646 -3.111 75 HG23 VAL 6 HG23 VAL 652 11.920 -11.273 -4.629 76 H VAL 7 H VAL 653 9.867 -15.885 -4.139 77 HA VAL 7 HA VAL 653 8.247 -16.719 -6.408 78 HB VAL 7 HB VAL 653 8.528 -17.946 -3.632 79 HG11 VAL 7 HG11 VAL 653 7.162 -18.987 -6.149 80 HG12 VAL 7 HG12 VAL 653 7.555 -19.970 -4.703 81 HG13 VAL 7 HG13 VAL 653 6.356 -18.673 -4.619 82 HG21 VAL 7 HG21 VAL 653 9.552 -18.894 -6.339 83 HG22 VAL 7 HG22 VAL 653 10.546 -17.996 -5.178 84 HG23 VAL 7 HG23 VAL 653 9.893 -19.610 -4.758 85 H ARG 8 H ARG 654 6.546 -15.480 -6.802 86 HA ARG 8 HA ARG 654 4.358 -15.210 -4.768 87 HB2 ARG 8 HB2 ARG 654 5.822 -13.059 -6.215 88 HB3 ARG 8 HB3 ARG 654 4.073 -13.008 -6.453 89 HG2 ARG 8 HG2 ARG 654 3.748 -12.947 -4.015 90 HG3 ARG 8 HG3 ARG 654 5.466 -13.182 -3.751 91 HD2 ARG 8 HD2 ARG 654 5.961 -10.911 -4.520 92 HD3 ARG 8 HD3 ARG 654 4.634 -10.967 -5.658 93 HE ARG 8 HE ARG 654 3.309 -9.861 -4.102 94 HH11 ARG 8 HH11 ARG 654 5.827 -11.417 -2.179 95 HH12 ARG 8 HH12 ARG 654 5.232 -10.708 -0.708 96 HH21 ARG 8 HH21 ARG 654 2.636 -9.022 -2.202 97 HH22 ARG 8 HH22 ARG 654 3.479 -9.383 -0.725 98 H CYS 9 H CYS 655 3.454 -16.957 -5.491 99 HA CYS 9 HA CYS 655 2.271 -16.978 -8.257 100 HB2 CYS 9 HB2 CYS 655 3.310 -19.069 -7.347 101 HB3 CYS 9 HB3 CYS 655 2.162 -19.045 -6.059 102 H ILE 10 H ILE 656 -0.008 -17.151 -8.578 103 HA ILE 10 HA ILE 656 -1.809 -15.633 -7.057 104 HB ILE 10 HB ILE 656 -3.617 -17.020 -8.141 105 HG12 ILE 10 HG12 ILE 656 -2.989 -18.423 -10.081 106 HG13 ILE 10 HG13 ILE 656 -1.321 -18.495 -9.520 107 HG21 ILE 10 HG21 ILE 656 -2.797 -14.993 -9.066 108 HG22 ILE 10 HG22 ILE 656 -1.365 -15.791 -9.736 109 HG23 ILE 10 HG23 ILE 656 -2.985 -16.135 -10.410 110 HD11 ILE 10 HD11 ILE 656 -3.654 -19.495 -7.837 111 HD12 ILE 10 HD12 ILE 656 -2.931 -20.479 -9.121 112 HD13 ILE 10 HD13 ILE 656 -1.933 -19.976 -7.767 113 H CYS 11 H CYS 657 -0.473 -18.552 -6.286 114 HA CYS 11 HA CYS 657 -2.535 -19.807 -4.682 115 HB2 CYS 11 HB2 CYS 657 0.368 -20.173 -5.391 116 HB3 CYS 11 HB3 CYS 657 -0.247 -21.018 -3.896 117 H GLU 12 H GLU 658 -0.433 -17.083 -4.230 118 HA GLU 12 HA GLU 658 0.618 -16.023 -2.596 119 HB2 GLU 12 HB2 GLU 658 -2.055 -16.652 -1.277 120 HB3 GLU 12 HB3 GLU 658 -0.912 -15.437 -0.644 121 HG2 GLU 12 HG2 GLU 658 -1.031 -14.254 -2.848 122 HG3 GLU 12 HG3 GLU 658 -2.296 -15.375 -3.358 123 H VAL 13 H VAL 659 1.546 -18.393 -2.845 124 HA VAL 13 HA VAL 659 2.605 -19.034 -0.173 125 HB VAL 13 HB VAL 659 0.882 -20.708 -1.212 126 HG11 VAL 13 HG11 VAL 659 1.758 -22.444 -2.624 127 HG12 VAL 13 HG12 VAL 659 1.922 -20.872 -3.438 128 HG13 VAL 13 HG13 VAL 659 3.337 -21.636 -2.731 129 HG21 VAL 13 HG21 VAL 659 2.126 -22.614 -0.196 130 HG22 VAL 13 HG22 VAL 659 3.575 -21.587 -0.079 131 HG23 VAL 13 HG23 VAL 659 2.114 -21.165 0.820 132 H GLN 14 H GLN 660 4.734 -19.000 -0.110 133 HA GLN 14 HA GLN 660 6.340 -18.590 -2.544 134 HB2 GLN 14 HB2 GLN 660 7.070 -18.703 0.375 135 HB3 GLN 14 HB3 GLN 660 8.250 -18.561 -0.935 136 HG2 GLN 14 HG2 GLN 660 7.729 -16.417 0.164 137 HG3 GLN 14 HG3 GLN 660 7.413 -16.399 -1.557 138 HE21 GLN 14 HE21 GLN 660 5.208 -16.046 -2.276 139 HE22 GLN 14 HE22 GLN 660 3.934 -15.686 -1.102 140 H GLU 15 H GLU 661 4.997 -21.337 -1.648 141 HA GLU 15 HA GLU 661 7.026 -23.289 -1.225 142 HB2 GLU 15 HB2 GLU 661 4.667 -23.615 -0.566 143 HB3 GLU 15 HB3 GLU 661 4.198 -23.609 -2.266 144 HG2 GLU 15 HG2 GLU 661 4.229 -25.854 -1.383 145 HG3 GLU 15 HG3 GLU 661 5.404 -25.677 -2.675 146 H GLU 16 H GLU 662 7.582 -24.979 -2.779 147 HA GLU 16 HA GLU 662 7.745 -24.043 -5.484 148 HB2 GLU 16 HB2 GLU 662 9.884 -25.800 -4.865 149 HB3 GLU 16 HB3 GLU 662 9.747 -24.509 -5.977 150 HG2 GLU 16 HG2 GLU 662 11.126 -23.396 -4.740 151 HG3 GLU 16 HG3 GLU 662 9.715 -22.886 -3.899 152 H ASN 17 H ASN 663 6.666 -25.102 -6.428 153 HA ASN 17 HA ASN 663 5.858 -27.894 -6.363 154 HB2 ASN 17 HB2 ASN 663 5.468 -25.741 -8.462 155 HB3 ASN 17 HB3 ASN 663 5.100 -27.409 -8.811 156 HD21 ASN 17 HD21 ASN 663 1.860 -26.318 -7.967 157 HD22 ASN 17 HD22 ASN 663 2.950 -26.491 -9.298 158 H ASP 18 H ASP 664 6.230 -29.224 -8.485 159 HA ASP 18 HA ASP 664 8.921 -29.921 -8.979 160 HB2 ASP 18 HB2 ASP 664 6.448 -30.202 -10.732 161 HB3 ASP 18 HB3 ASP 664 7.981 -30.966 -11.038 162 H PHE 19 H PHE 665 6.890 -27.548 -10.653 163 HA PHE 19 HA PHE 665 9.237 -26.564 -12.133 164 HB2 PHE 19 HB2 PHE 665 7.678 -27.723 -13.746 165 HB3 PHE 19 HB3 PHE 665 6.352 -26.787 -13.106 166 HD1 PHE 19 HD1 PHE 665 5.628 -25.365 -14.782 167 HD2 PHE 19 HD2 PHE 665 9.875 -25.960 -14.190 168 HE1 PHE 19 HE1 PHE 665 6.136 -23.761 -16.608 169 HE2 PHE 19 HE2 PHE 665 10.353 -24.293 -15.931 170 HZ PHE 19 HZ PHE 665 8.477 -23.292 -17.206 171 H MET 20 H MET 666 9.728 -24.415 -12.093 172 HA MET 20 HA MET 666 7.621 -22.526 -11.459 173 HB2 MET 20 HB2 MET 666 10.290 -22.178 -10.111 174 HB3 MET 20 HB3 MET 666 8.952 -21.165 -9.881 175 HG2 MET 20 HG2 MET 666 7.836 -23.456 -9.127 176 HG3 MET 20 HG3 MET 666 9.486 -24.021 -8.973 177 HE1 MET 20 HE1 MET 666 7.206 -21.437 -6.207 178 HE2 MET 20 HE2 MET 666 7.720 -20.427 -7.610 179 HE3 MET 20 HE3 MET 666 6.779 -21.904 -7.855 180 H ILE 21 H ILE 667 7.985 -20.367 -12.194 181 HA ILE 21 HA ILE 667 10.135 -19.991 -14.200 182 HB ILE 21 HB ILE 667 7.366 -18.902 -14.630 183 HG12 ILE 21 HG12 ILE 667 8.262 -21.200 -16.363 184 HG13 ILE 21 HG13 ILE 667 7.684 -21.612 -14.748 185 HG21 ILE 21 HG21 ILE 667 9.088 -17.851 -16.129 186 HG22 ILE 21 HG22 ILE 667 9.411 -19.423 -16.897 187 HG23 ILE 21 HG23 ILE 667 7.842 -18.679 -17.067 188 HD11 ILE 21 HD11 ILE 667 6.202 -20.040 -16.785 189 HD12 ILE 21 HD12 ILE 667 5.867 -21.657 -16.165 190 HD13 ILE 21 HD13 ILE 667 5.686 -20.239 -15.082 191 H GLN 22 H GLN 668 10.595 -17.690 -14.657 192 HA GLN 22 HA GLN 668 9.876 -15.939 -12.312 193 HB2 GLN 22 HB2 GLN 668 12.278 -16.372 -12.326 194 HB3 GLN 22 HB3 GLN 668 12.305 -16.113 -14.094 195 HG2 GLN 22 HG2 GLN 668 12.119 -13.722 -13.890 196 HG3 GLN 22 HG3 GLN 668 11.465 -13.912 -12.286 197 HE21 GLN 22 HE21 GLN 668 13.022 -13.696 -10.479 198 HE22 GLN 22 HE22 GLN 668 14.740 -13.755 -10.775 199 H CYS 23 H CYS 669 8.922 -14.019 -12.623 200 HA CYS 23 HA CYS 669 7.849 -13.208 -15.188 201 HB2 CYS 23 HB2 CYS 669 6.863 -12.704 -12.947 202 HB3 CYS 23 HB3 CYS 669 8.286 -11.751 -12.546 203 H GLU 24 H GLU 670 8.671 -11.945 -16.714 204 HA GLU 24 HA GLU 670 11.482 -11.152 -16.552 205 HB2 GLU 24 HB2 GLU 670 11.168 -10.407 -18.776 206 HB3 GLU 24 HB3 GLU 670 10.377 -11.965 -18.644 207 HG2 GLU 24 HG2 GLU 670 8.497 -10.906 -19.540 208 HG3 GLU 24 HG3 GLU 670 8.314 -10.292 -17.951 209 H GLU 25 H GLU 671 8.562 -9.572 -15.591 210 HA GLU 25 HA GLU 671 9.631 -6.856 -15.988 211 HB2 GLU 25 HB2 GLU 671 7.324 -7.476 -16.479 212 HB3 GLU 25 HB3 GLU 671 7.038 -7.816 -14.833 213 HG2 GLU 25 HG2 GLU 671 6.138 -5.618 -15.661 214 HG3 GLU 25 HG3 GLU 671 7.038 -5.589 -14.164 215 H CYS 26 H CYS 672 8.351 -8.626 -13.166 216 HA CYS 26 HA CYS 672 9.946 -6.876 -11.442 217 HB2 CYS 26 HB2 CYS 672 8.463 -7.357 -9.762 218 HB3 CYS 26 HB3 CYS 672 7.512 -6.835 -11.166 219 H GLN 27 H GLN 673 10.390 -9.901 -12.617 220 HA GLN 27 HA GLN 673 11.755 -11.515 -12.160 221 HB2 GLN 27 HB2 GLN 673 12.720 -9.473 -10.331 222 HB3 GLN 27 HB3 GLN 673 12.930 -10.964 -9.610 223 HG2 GLN 27 HG2 GLN 673 14.850 -11.305 -10.678 224 HG3 GLN 27 HG3 GLN 673 14.052 -11.409 -12.211 225 HE21 GLN 27 HE21 GLN 673 13.442 -9.281 -13.357 226 HE22 GLN 27 HE22 GLN 673 14.670 -8.044 -13.276 227 H CYS 28 H CYS 674 9.060 -11.168 -10.325 228 HA CYS 28 HA CYS 674 9.670 -13.059 -8.293 229 HB2 CYS 28 HB2 CYS 674 7.223 -13.083 -7.947 230 HB3 CYS 28 HB3 CYS 674 7.947 -11.410 -8.092 231 HG CYS 28 HG CYS 674 5.591 -11.378 -9.231 232 H TRP 29 H TRP 675 8.962 -15.184 -7.970 233 HA TRP 29 HA TRP 675 8.889 -16.777 -10.424 234 HB2 TRP 29 HB2 TRP 675 9.894 -17.160 -7.646 235 HB3 TRP 29 HB3 TRP 675 9.626 -18.570 -8.687 236 HD1 TRP 29 HD1 TRP 675 11.840 -15.499 -8.299 237 HE1 TRP 29 HE1 TRP 675 14.058 -15.849 -9.587 238 HE3 TRP 29 HE3 TRP 675 10.619 -19.755 -10.774 239 HZ2 TRP 29 HZ2 TRP 675 15.144 -17.848 -11.313 240 HZ3 TRP 29 HZ3 TRP 675 12.294 -20.844 -12.311 241 HH2 TRP 29 HH2 TRP 675 14.554 -19.909 -12.550 242 H GLN 30 H GLN 676 7.399 -18.463 -10.853 243 HA GLN 30 HA GLN 676 5.251 -18.829 -8.809 244 HB2 GLN 30 HB2 GLN 676 4.820 -18.294 -11.791 245 HB3 GLN 30 HB3 GLN 676 3.559 -18.673 -10.618 246 HG2 GLN 30 HG2 GLN 676 3.364 -16.395 -10.841 247 HG3 GLN 30 HG3 GLN 676 4.218 -16.732 -9.323 248 HE21 GLN 30 HE21 GLN 676 5.280 -14.731 -9.224 249 HE22 GLN 30 HE22 GLN 676 6.514 -14.293 -10.426 250 H HIS 31 H HIS 677 3.872 -20.689 -9.290 251 HA HIS 31 HA HIS 677 5.380 -22.926 -10.456 252 HB2 HIS 31 HB2 HIS 677 2.391 -22.910 -9.878 253 HB3 HIS 31 HB3 HIS 677 3.501 -24.248 -9.917 254 HD2 HIS 31 HD2 HIS 677 5.614 -23.638 -7.972 255 HE1 HIS 31 HE1 HIS 677 2.805 -22.406 -4.996 256 HE2 HIS 31 HE2 HIS 677 5.174 -23.126 -5.378 257 H GLY 32 H GLY 678 5.531 -23.015 -12.681 258 HA2 GLY 32 HA2 GLY 678 4.052 -21.361 -14.317 259 HA3 GLY 32 HA3 GLY 678 4.776 -22.913 -14.894 260 H VAL 33 H VAL 679 3.073 -24.551 -13.261 261 HA VAL 33 HA VAL 679 0.940 -24.894 -15.167 262 HB VAL 33 HB VAL 679 2.132 -26.647 -14.032 263 HG11 VAL 33 HG11 VAL 679 1.493 -27.364 -11.749 264 HG12 VAL 33 HG12 VAL 679 2.166 -25.723 -11.700 265 HG13 VAL 33 HG13 VAL 679 0.412 -25.964 -11.582 266 HG21 VAL 33 HG21 VAL 679 0.257 -28.172 -13.748 267 HG22 VAL 33 HG22 VAL 679 -0.877 -26.824 -13.558 268 HG23 VAL 33 HG23 VAL 679 -0.051 -27.090 -15.115 269 H CYS 34 H CYS 680 1.160 -22.943 -12.329 270 HA CYS 34 HA CYS 680 -1.723 -22.555 -11.789 271 HB2 CYS 34 HB2 CYS 680 0.780 -21.173 -10.809 272 HB3 CYS 34 HB3 CYS 680 -0.827 -20.797 -10.344 273 H MET 35 H MET 681 0.879 -21.176 -13.679 274 HA MET 35 HA MET 681 -0.488 -18.631 -14.349 275 HB2 MET 35 HB2 MET 681 2.310 -19.692 -14.869 276 HB3 MET 35 HB3 MET 681 1.744 -18.096 -15.240 277 HG2 MET 35 HG2 MET 681 1.711 -19.058 -12.385 278 HG3 MET 35 HG3 MET 681 3.115 -18.321 -13.134 279 HE1 MET 35 HE1 MET 681 0.145 -17.428 -10.948 280 HE2 MET 35 HE2 MET 681 -0.655 -16.096 -11.822 281 HE3 MET 35 HE3 MET 681 -0.747 -17.747 -12.458 282 H GLY 36 H GLY 682 -0.244 -21.774 -15.709 283 HA2 GLY 36 HA2 GLY 682 -1.115 -22.606 -17.669 284 HA3 GLY 36 HA3 GLY 682 -1.348 -20.975 -18.300 285 H LEU 37 H LEU 683 1.700 -22.126 -16.969 286 HA LEU 37 HA LEU 683 2.769 -22.523 -19.697 287 HB2 LEU 37 HB2 LEU 683 4.473 -21.274 -17.626 288 HB3 LEU 37 HB3 LEU 683 4.708 -21.132 -19.330 289 HG LEU 37 HG LEU 683 2.255 -19.686 -18.463 290 HD11 LEU 37 HD11 LEU 683 3.789 -19.458 -16.375 291 HD12 LEU 37 HD12 LEU 683 4.821 -18.464 -17.424 292 HD13 LEU 37 HD13 LEU 683 3.135 -18.007 -17.150 293 HD21 LEU 37 HD21 LEU 683 4.917 -18.819 -19.611 294 HD22 LEU 37 HD22 LEU 683 3.504 -19.416 -20.568 295 HD23 LEU 37 HD23 LEU 683 3.361 -17.910 -19.630 296 H LEU 38 H LEU 684 4.750 -23.811 -19.715 297 HA LEU 38 HA LEU 684 5.258 -25.707 -17.570 298 HB2 LEU 38 HB2 LEU 684 3.943 -26.163 -20.256 299 HB3 LEU 38 HB3 LEU 684 5.331 -27.153 -19.927 300 HG LEU 38 HG LEU 684 3.018 -28.050 -19.366 301 HD11 LEU 38 HD11 LEU 684 5.309 -28.114 -17.366 302 HD12 LEU 38 HD12 LEU 684 4.065 -29.379 -17.553 303 HD13 LEU 38 HD13 LEU 684 5.220 -29.036 -18.870 304 HD21 LEU 38 HD21 LEU 684 2.088 -27.712 -17.216 305 HD22 LEU 38 HD22 LEU 684 3.352 -26.556 -16.766 306 HD23 LEU 38 HD23 LEU 684 2.191 -26.148 -18.055 307 H GLU 39 H GLU 685 7.385 -26.811 -18.097 308 HA GLU 39 HA GLU 685 9.361 -25.054 -19.126 309 HB2 GLU 39 HB2 GLU 685 10.763 -27.112 -19.240 310 HB3 GLU 39 HB3 GLU 685 10.096 -26.815 -17.649 311 HG2 GLU 39 HG2 GLU 685 10.006 -29.116 -17.951 312 HG3 GLU 39 HG3 GLU 685 8.363 -28.508 -17.964 313 H GLU 40 H GLU 686 7.257 -27.254 -20.868 314 HA GLU 40 HA GLU 686 8.706 -27.084 -23.369 315 HB2 GLU 40 HB2 GLU 686 6.523 -27.529 -24.486 316 HB3 GLU 40 HB3 GLU 686 7.115 -28.789 -23.391 317 HG2 GLU 40 HG2 GLU 686 5.469 -28.338 -21.799 318 HG3 GLU 40 HG3 GLU 686 5.075 -26.733 -22.478 319 H ASN 41 H ASN 687 6.288 -24.925 -21.906 320 HA ASN 41 HA ASN 687 6.194 -23.319 -24.409 321 HB2 ASN 41 HB2 ASN 687 4.520 -23.147 -21.920 322 HB3 ASN 41 HB3 ASN 687 4.219 -22.288 -23.357 323 HD21 ASN 41 HD21 ASN 687 1.820 -25.027 -23.215 324 HD22 ASN 41 HD22 ASN 687 2.210 -23.714 -22.154 325 H VAL 42 H VAL 688 8.175 -23.054 -21.728 326 HA VAL 42 HA VAL 688 7.788 -20.537 -20.613 327 HB VAL 42 HB VAL 688 10.452 -21.823 -21.184 328 HG11 VAL 42 HG11 VAL 688 10.753 -19.361 -20.790 329 HG12 VAL 42 HG12 VAL 688 9.828 -19.529 -19.284 330 HG13 VAL 42 HG13 VAL 688 11.399 -20.358 -19.521 331 HG21 VAL 42 HG21 VAL 688 8.921 -21.696 -18.630 332 HG22 VAL 42 HG22 VAL 688 8.816 -23.039 -19.788 333 HG23 VAL 42 HG23 VAL 688 10.367 -22.680 -19.094 334 HA PRO 43 HA PRO 689 8.617 -17.998 -24.269 335 HB2 PRO 43 HB2 PRO 689 7.296 -15.760 -23.439 336 HB3 PRO 43 HB3 PRO 689 6.391 -17.212 -23.944 337 HG2 PRO 43 HG2 PRO 689 7.096 -16.301 -21.171 338 HG3 PRO 43 HG3 PRO 689 5.500 -16.835 -21.770 339 HD2 PRO 43 HD2 PRO 689 7.236 -18.532 -20.440 340 HD3 PRO 43 HD3 PRO 689 6.182 -19.117 -21.681 341 H GLU 44 H GLU 690 9.654 -15.947 -24.627 342 HA GLU 44 HA GLU 690 12.041 -15.635 -22.999 343 HB2 GLU 44 HB2 GLU 690 10.916 -13.965 -25.312 344 HB3 GLU 44 HB3 GLU 690 12.511 -13.776 -24.596 345 HG2 GLU 44 HG2 GLU 690 12.864 -14.969 -26.579 346 HG3 GLU 44 HG3 GLU 690 13.061 -16.133 -25.277 347 H LYS 45 H LYS 691 8.948 -13.939 -23.412 348 HA LYS 45 HA LYS 691 9.466 -12.475 -20.895 349 HB2 LYS 45 HB2 LYS 691 8.239 -11.393 -23.460 350 HB3 LYS 45 HB3 LYS 691 8.062 -10.682 -21.896 351 HG2 LYS 45 HG2 LYS 691 10.570 -10.448 -21.715 352 HG3 LYS 45 HG3 LYS 691 10.706 -10.984 -23.402 353 HD2 LYS 45 HD2 LYS 691 9.276 -9.106 -24.137 354 HD3 LYS 45 HD3 LYS 691 9.077 -8.572 -22.474 355 HE2 LYS 45 HE2 LYS 691 11.657 -8.536 -24.114 356 HE3 LYS 45 HE3 LYS 691 10.670 -7.160 -23.619 357 HZ1 LYS 45 HZ1 LYS 691 12.400 -7.234 -22.053 358 HZ2 LYS 45 HZ2 LYS 691 11.155 -7.939 -21.232 359 HZ3 LYS 45 HZ3 LYS 691 12.353 -8.852 -21.866 360 H TYR 46 H TYR 692 8.404 -14.235 -19.958 361 HA TYR 46 HA TYR 692 5.430 -14.073 -20.134 362 HB2 TYR 46 HB2 TYR 692 5.787 -16.235 -19.423 363 HB3 TYR 46 HB3 TYR 692 7.354 -15.911 -18.747 364 HD1 TYR 46 HD1 TYR 692 3.697 -15.629 -18.120 365 HD2 TYR 46 HD2 TYR 692 7.685 -15.567 -16.494 366 HE1 TYR 46 HE1 TYR 692 2.760 -15.455 -15.784 367 HE2 TYR 46 HE2 TYR 692 6.746 -15.555 -14.188 368 HH TYR 46 HH TYR 692 4.883 -15.673 -12.979 369 H THR 47 H THR 693 4.265 -12.653 -19.193 370 HA THR 47 HA THR 693 5.256 -10.981 -16.953 371 HB THR 47 HB THR 693 2.973 -9.926 -17.355 372 HG1 THR 47 HG1 THR 693 2.391 -10.058 -19.644 373 HG21 THR 47 HG21 THR 693 5.154 -9.533 -19.406 374 HG22 THR 47 HG22 THR 693 3.840 -8.389 -18.997 375 HG23 THR 47 HG23 THR 693 5.068 -8.800 -17.775 376 H CYS 48 H CYS 694 4.506 -11.226 -14.951 377 HA CYS 48 HA CYS 694 2.690 -13.431 -14.331 378 HB2 CYS 48 HB2 CYS 694 3.538 -13.214 -12.144 379 HB3 CYS 48 HB3 CYS 694 4.892 -12.687 -13.037 380 H TYR 49 H TYR 695 0.609 -13.277 -13.469 381 HA TYR 49 HA TYR 695 -1.223 -11.367 -13.800 382 HB2 TYR 49 HB2 TYR 695 -2.338 -12.216 -12.078 383 HB3 TYR 49 HB3 TYR 695 -1.434 -13.575 -12.711 384 HD1 TYR 49 HD1 TYR 695 1.011 -13.916 -11.482 385 HD2 TYR 49 HD2 TYR 695 -2.477 -12.058 -9.728 386 HE1 TYR 49 HE1 TYR 695 1.923 -14.316 -9.230 387 HE2 TYR 49 HE2 TYR 695 -1.547 -12.472 -7.458 388 HH TYR 49 HH TYR 695 0.277 -13.216 -6.235 389 H VAL 50 H VAL 696 1.044 -11.104 -10.979 390 HA VAL 50 HA VAL 696 -0.066 -8.724 -9.966 391 HB VAL 50 HB VAL 696 2.443 -10.277 -9.572 392 HG11 VAL 50 HG11 VAL 696 3.580 -8.648 -8.180 393 HG12 VAL 50 HG12 VAL 696 3.535 -8.154 -9.876 394 HG13 VAL 50 HG13 VAL 696 2.431 -7.387 -8.698 395 HG21 VAL 50 HG21 VAL 696 0.400 -10.500 -8.180 396 HG22 VAL 50 HG22 VAL 696 1.896 -10.223 -7.284 397 HG23 VAL 50 HG23 VAL 696 0.728 -8.889 -7.517 398 H CYS 51 H CYS 697 2.140 -9.119 -12.674 399 HA CYS 51 HA CYS 697 2.297 -6.214 -13.129 400 HB2 CYS 51 HB2 CYS 697 3.578 -8.499 -14.615 401 HB3 CYS 51 HB3 CYS 697 3.778 -6.796 -14.969 402 H GLN 52 H GLN 698 1.336 -9.231 -15.127 403 HA GLN 52 HA GLN 698 -0.149 -7.407 -16.833 404 HB2 GLN 52 HB2 GLN 698 -0.868 -9.479 -17.962 405 HB3 GLN 52 HB3 GLN 698 0.863 -9.245 -17.951 406 HG2 GLN 52 HG2 GLN 698 1.186 -11.141 -16.854 407 HG3 GLN 52 HG3 GLN 698 -0.067 -10.885 -15.715 408 HE21 GLN 52 HE21 GLN 698 0.675 -12.498 -18.788 409 HE22 GLN 52 HE22 GLN 698 -0.880 -13.313 -18.872 410 H ASP 53 H ASP 699 -1.427 -9.881 -14.555 411 HA ASP 53 HA ASP 699 -3.829 -8.414 -14.146 412 HB2 ASP 53 HB2 ASP 699 -4.230 -9.147 -16.523 413 HB3 ASP 53 HB3 ASP 699 -4.211 -10.805 -16.023 414 H1 ALA 1 H1 ALA 1 12.298 -16.204 -20.305 415 H2 ALA 1 H2 ALA 1 13.299 -15.148 -19.549 416 H3 ALA 1 H3 ALA 1 11.840 -14.642 -20.087 417 HA ALA 1 HA ALA 1 11.691 -14.904 -17.705 418 HB1 ALA 1 HB1 ALA 1 9.647 -15.503 -19.003 419 HB2 ALA 1 HB2 ALA 1 10.183 -17.189 -19.094 420 HB3 ALA 1 HB3 ALA 1 9.809 -16.473 -17.543 421 H ARG 2 H ARG 2 13.231 -15.742 -16.168 422 HA ARG 2 HA ARG 2 14.917 -18.014 -16.592 423 HB2 ARG 2 HB2 ARG 2 14.802 -15.943 -14.797 424 HB3 ARG 2 HB3 ARG 2 14.271 -17.278 -13.767 425 HG2 ARG 2 HG2 ARG 2 16.280 -18.459 -14.023 426 HG3 ARG 2 HG3 ARG 2 16.901 -17.301 -15.220 427 HD2 ARG 2 HD2 ARG 2 16.015 -16.409 -12.418 428 HD3 ARG 2 HD3 ARG 2 17.648 -17.007 -12.703 429 HE ARG 2 HE ARG 2 16.406 -14.490 -13.566 430 HH11 ARG 2 HH11 ARG 2 19.252 -16.498 -14.030 431 HH12 ARG 2 HH12 ARG 2 20.189 -15.183 -14.681 432 HH21 ARG 2 HH21 ARG 2 17.658 -12.864 -14.405 433 HH22 ARG 2 HH22 ARG 2 19.303 -13.169 -14.884 434 H THR 3 H THR 3 14.896 -20.143 -15.637 435 HA THR 3 HA THR 3 12.399 -21.063 -14.340 436 HB THR 3 HB THR 3 12.478 -23.117 -15.922 437 HG1 THR 3 HG1 THR 3 14.190 -22.526 -17.253 438 HG21 THR 3 HG21 THR 3 11.300 -20.484 -16.886 439 HG22 THR 3 HG22 THR 3 10.682 -22.131 -17.150 440 HG23 THR 3 HG23 THR 3 10.618 -21.459 -15.568 441 H MLY 4 H MLY 4 12.399 -23.080 -13.373 442 HA MLY 4 HA MLY 4 14.965 -24.394 -12.831 443 HB2 MLY 4 HB2 MLY 4 14.917 -23.915 -10.448 444 HB3 MLY 4 HB3 MLY 4 14.763 -22.372 -11.294 445 HG2 MLY 4 HG2 MLY 4 12.229 -22.699 -11.063 446 HG3 MLY 4 HG3 MLY 4 12.591 -23.963 -9.893 447 HD2 MLY 4 HD2 MLY 4 13.860 -21.213 -9.554 448 HD3 MLY 4 HD3 MLY 4 12.161 -21.425 -9.169 449 HE2 MLY 4 HE2 MLY 4 12.709 -23.252 -7.561 450 HE3 MLY 4 HE3 MLY 4 14.415 -23.086 -7.976 451 HH11 MLY 4 HH11 MLY 4 12.492 -20.056 -5.696 452 HH12 MLY 4 HH12 MLY 4 12.003 -20.181 -7.377 453 HH13 MLY 4 HH13 MLY 4 11.563 -21.463 -6.228 454 HH21 MLY 4 HH21 MLY 4 13.463 -22.858 -5.190 455 HH22 MLY 4 HH22 MLY 4 15.123 -22.578 -5.750 456 HH23 MLY 4 HH23 MLY 4 14.296 -21.349 -4.789 457 HZ MLY 4 HZ MLY 4 14.325 -20.796 -7.146 458 H GLN 5 H GLN 5 14.733 -26.355 -11.630 459 HA GLN 5 HA GLN 5 12.023 -27.464 -11.274 460 HB2 GLN 5 HB2 GLN 5 14.202 -28.958 -12.789 461 HB3 GLN 5 HB3 GLN 5 12.629 -29.564 -12.329 462 HG2 GLN 5 HG2 GLN 5 12.403 -29.122 -14.588 463 HG3 GLN 5 HG3 GLN 5 11.582 -27.776 -13.818 464 HE21 GLN 5 HE21 GLN 5 15.124 -28.345 -14.576 465 HE22 GLN 5 HE22 GLN 5 15.255 -26.887 -15.549 466 H THR 6 H THR 6 11.919 -29.129 -9.704 467 HA THR 6 HA THR 6 13.977 -29.107 -7.648 468 HB THR 6 HB THR 6 12.553 -30.883 -6.587 469 HG1 THR 6 HG1 THR 6 11.547 -31.779 -8.378 470 HG21 THR 6 HG21 THR 6 11.143 -28.313 -7.425 471 HG22 THR 6 HG22 THR 6 10.676 -29.366 -6.068 472 HG23 THR 6 HG23 THR 6 12.232 -28.521 -6.043 473 H ALA 7 H ALA 7 15.205 -30.860 -6.863 474 HA ALA 7 HA ALA 7 15.656 -33.225 -8.561 475 HB1 ALA 7 HB1 ALA 7 17.813 -31.131 -8.017 476 HB2 ALA 7 HB2 ALA 7 18.067 -32.695 -8.818 477 HB3 ALA 7 HB3 ALA 7 17.060 -31.461 -9.592 478 H ARG 8 H ARG 8 17.250 -34.679 -7.626 479 HA ARG 8 HA ARG 8 17.975 -36.112 -6.066 480 HB2 ARG 8 HB2 ARG 8 19.273 -34.088 -5.358 481 HB3 ARG 8 HB3 ARG 8 18.081 -33.810 -4.090 482 HG2 ARG 8 HG2 ARG 8 18.632 -35.984 -3.060 483 HG3 ARG 8 HG3 ARG 8 19.781 -36.330 -4.365 484 HD2 ARG 8 HD2 ARG 8 19.950 -33.993 -2.412 485 HD3 ARG 8 HD3 ARG 8 20.834 -35.497 -2.232 486 HE ARG 8 HE ARG 8 21.397 -33.300 -4.106 487 HH11 ARG 8 HH11 ARG 8 22.171 -36.658 -3.412 488 HH12 ARG 8 HH12 ARG 8 23.640 -36.597 -4.344 489 HH21 ARG 8 HH21 ARG 8 23.271 -33.301 -5.266 490 HH22 ARG 8 HH22 ARG 8 24.242 -34.737 -5.369 491 H LYS 9 H LYS 9 17.370 -37.516 -4.400 492 HA LYS 9 HA LYS 9 14.516 -37.780 -3.959 493 HB2 LYS 9 HB2 LYS 9 16.868 -39.256 -2.682 494 HB3 LYS 9 HB3 LYS 9 15.183 -39.754 -2.581 495 HG2 LYS 9 HG2 LYS 9 16.838 -39.642 -5.139 496 HG3 LYS 9 HG3 LYS 9 16.432 -41.083 -4.214 497 HD2 LYS 9 HD2 LYS 9 14.000 -40.656 -4.647 498 HD3 LYS 9 HD3 LYS 9 14.458 -39.279 -5.679 499 HE2 LYS 9 HE2 LYS 9 15.791 -40.796 -7.120 500 HE3 LYS 9 HE3 LYS 9 15.357 -42.165 -6.096 501 HZ1 LYS 9 HZ1 LYS 9 13.017 -41.809 -6.712 502 HZ2 LYS 9 HZ2 LYS 9 13.411 -40.542 -7.665 503 HZ3 LYS 9 HZ3 LYS 9 13.917 -42.044 -8.052 504 H SER 10 H SER 10 13.390 -37.875 -1.978 505 HA SER 10 HA SER 10 13.783 -35.672 -0.222 506 HB2 SER 10 HB2 SER 10 12.089 -38.156 0.219 507 HB3 SER 10 HB3 SER 10 11.917 -36.598 1.046 508 HG SER 10 HG SER 10 10.432 -36.813 -0.706 509 H THR 11 H THR 11 14.214 -35.570 2.004 510 HA THR 11 HA THR 11 16.335 -37.233 3.062 511 HB THR 11 HB THR 11 15.951 -35.923 5.159 512 HG1 THR 11 HG1 THR 11 13.718 -35.481 4.766 513 HG21 THR 11 HG21 THR 11 16.271 -34.255 2.622 514 HG22 THR 11 HG22 THR 11 16.779 -33.801 4.264 515 HG23 THR 11 HG23 THR 11 17.558 -35.161 3.441 516 HN1 NH2 12 H01 THR 11 12.851 -37.107 3.750 517 HN2 NH2 12 H02 THR 11 12.871 -38.554 4.733 Start of MODEL 3 1 H1 GLY -3 H1 GLY -3 5.733 -2.376 3.456 2 H2 GLY -3 H2 GLY -3 6.800 -1.419 2.666 3 H3 GLY -3 H3 GLY -3 5.263 -0.911 2.893 4 HA2 GLY -3 HA2 GLY -3 4.396 -2.645 1.461 5 HA3 GLY -3 HA3 GLY -3 5.533 -1.588 0.606 6 H HIS -2 H HIS -2 4.812 -4.316 -0.097 7 HA HIS -2 HA HIS -2 6.834 -6.199 0.770 8 HB2 HIS -2 HB2 HIS -2 4.908 -6.224 -1.591 9 HB3 HIS -2 HB3 HIS -2 5.892 -7.588 -1.083 10 HD2 HIS -2 HD2 HIS -2 2.642 -5.803 -0.239 11 HE1 HIS -2 HE1 HIS -2 3.066 -8.899 2.666 12 HE2 HIS -2 HE2 HIS -2 1.483 -7.151 1.704 13 H MET -1 H MET -1 6.779 -3.911 -1.914 14 HA MET -1 HA MET -1 8.514 -5.327 -3.679 15 HB2 MET -1 HB2 MET -1 8.745 -3.062 -4.753 16 HB3 MET -1 HB3 MET -1 7.107 -3.710 -4.637 17 HG2 MET -1 HG2 MET -1 8.290 -1.631 -2.738 18 HG3 MET -1 HG3 MET -1 7.461 -1.218 -4.223 19 HE1 MET -1 HE1 MET -1 4.924 -1.270 -4.646 20 HE2 MET -1 HE2 MET -1 4.891 -3.034 -4.429 21 HE3 MET -1 HE3 MET -1 3.735 -2.009 -3.558 22 H ASP 0 H ASP 646 9.354 -2.983 -1.187 23 HA ASP 0 HA ASP 646 11.250 -1.879 -0.667 24 HB2 ASP 0 HB2 ASP 646 12.552 -4.542 -1.355 25 HB3 ASP 0 HB3 ASP 646 13.386 -3.172 -0.636 26 H ARG 1 H ARG 647 10.529 -2.045 -3.518 27 HA ARG 1 HA ARG 647 10.990 -1.023 -5.565 28 HB2 ARG 1 HB2 ARG 647 11.934 1.130 -5.493 29 HB3 ARG 1 HB3 ARG 647 11.037 0.807 -3.996 30 HG2 ARG 1 HG2 ARG 647 12.954 2.211 -3.605 31 HG3 ARG 1 HG3 ARG 647 12.856 0.763 -2.631 32 HD2 ARG 1 HD2 ARG 647 15.154 1.150 -3.272 33 HD3 ARG 1 HD3 ARG 647 14.534 -0.321 -4.026 34 HE ARG 1 HE ARG 647 14.276 2.039 -5.731 35 HH11 ARG 1 HH11 ARG 647 16.557 -0.471 -4.831 36 HH12 ARG 1 HH12 ARG 647 17.472 -0.293 -6.300 37 HH21 ARG 1 HH21 ARG 647 15.493 2.209 -7.588 38 HH22 ARG 1 HH22 ARG 647 16.876 1.189 -7.822 39 H TYR 2 H TYR 648 13.246 -2.867 -4.190 40 HA TYR 2 HA TYR 648 15.134 -3.025 -6.430 41 HB2 TYR 2 HB2 TYR 648 14.589 -4.385 -3.790 42 HB3 TYR 2 HB3 TYR 648 15.664 -5.164 -4.964 43 HD1 TYR 2 HD1 TYR 648 15.548 -2.829 -2.257 44 HD2 TYR 2 HD2 TYR 648 17.653 -3.751 -5.909 45 HE1 TYR 2 HE1 TYR 648 17.466 -1.455 -1.490 46 HE2 TYR 2 HE2 TYR 648 19.587 -2.381 -5.131 47 HH TYR 2 HH TYR 648 19.596 -0.706 -1.961 48 H ASP 3 H ASP 649 15.292 -4.757 -7.868 49 HA ASP 3 HA ASP 649 12.939 -6.578 -8.137 50 HB2 ASP 3 HB2 ASP 649 15.261 -6.116 -10.029 51 HB3 ASP 3 HB3 ASP 649 13.873 -7.177 -10.291 52 H PHE 4 H PHE 650 13.092 -8.367 -6.922 53 HA PHE 4 HA PHE 650 15.647 -9.905 -6.735 54 HB2 PHE 4 HB2 PHE 650 13.515 -9.259 -4.646 55 HB3 PHE 4 HB3 PHE 650 14.719 -10.493 -4.443 56 HD1 PHE 4 HD1 PHE 650 13.995 -7.764 -2.897 57 HD2 PHE 4 HD2 PHE 650 17.218 -9.040 -5.481 58 HE1 PHE 4 HE1 PHE 650 15.539 -6.184 -1.772 59 HE2 PHE 4 HE2 PHE 650 18.738 -7.446 -4.365 60 HZ PHE 4 HZ PHE 650 17.922 -6.043 -2.482 61 H GLU 5 H GLU 651 15.490 -12.090 -6.348 62 HA GLU 5 HA GLU 651 13.447 -13.517 -7.840 63 HB2 GLU 5 HB2 GLU 651 15.529 -14.665 -5.914 64 HB3 GLU 5 HB3 GLU 651 14.864 -15.445 -7.347 65 HG2 GLU 5 HG2 GLU 651 16.795 -13.109 -7.448 66 HG3 GLU 5 HG3 GLU 651 17.231 -14.804 -7.515 67 H VAL 6 H VAL 652 11.495 -13.312 -7.015 68 HA VAL 6 HA VAL 652 10.890 -14.002 -4.144 69 HB VAL 6 HB VAL 652 9.943 -11.750 -5.925 70 HG11 VAL 6 HG11 VAL 652 8.850 -12.553 -3.180 71 HG12 VAL 6 HG12 VAL 652 8.501 -11.020 -4.010 72 HG13 VAL 6 HG13 VAL 652 7.947 -12.539 -4.715 73 HG21 VAL 6 HG21 VAL 652 12.053 -11.330 -4.692 74 HG22 VAL 6 HG22 VAL 652 10.746 -10.280 -4.157 75 HG23 VAL 6 HG23 VAL 652 11.228 -11.679 -3.164 76 H VAL 7 H VAL 653 9.919 -15.903 -4.144 77 HA VAL 7 HA VAL 653 8.276 -16.725 -6.394 78 HB VAL 7 HB VAL 653 8.584 -17.968 -3.625 79 HG11 VAL 7 HG11 VAL 653 7.620 -19.992 -4.690 80 HG12 VAL 7 HG12 VAL 653 6.408 -18.701 -4.603 81 HG13 VAL 7 HG13 VAL 653 7.214 -19.014 -6.134 82 HG21 VAL 7 HG21 VAL 653 9.947 -19.622 -4.784 83 HG22 VAL 7 HG22 VAL 653 9.593 -18.887 -6.356 84 HG23 VAL 7 HG23 VAL 653 10.598 -18.004 -5.187 85 H ARG 8 H ARG 654 6.555 -15.504 -6.776 86 HA ARG 8 HA ARG 654 4.399 -15.246 -4.713 87 HB2 ARG 8 HB2 ARG 654 5.846 -13.082 -6.160 88 HB3 ARG 8 HB3 ARG 654 4.102 -13.015 -6.382 89 HG2 ARG 8 HG2 ARG 654 3.805 -12.998 -3.931 90 HG3 ARG 8 HG3 ARG 654 5.533 -13.201 -3.706 91 HD2 ARG 8 HD2 ARG 654 5.960 -10.908 -4.427 92 HD3 ARG 8 HD3 ARG 654 4.661 -10.986 -5.586 93 HE ARG 8 HE ARG 654 3.248 -9.959 -4.051 94 HH11 ARG 8 HH11 ARG 654 5.857 -11.312 -2.103 95 HH12 ARG 8 HH12 ARG 654 5.221 -10.598 -0.646 96 HH21 ARG 8 HH21 ARG 654 2.523 -9.120 -2.167 97 HH22 ARG 8 HH22 ARG 654 3.400 -9.394 -0.689 98 H CYS 9 H CYS 655 3.467 -16.966 -5.454 99 HA CYS 9 HA CYS 655 2.271 -16.960 -8.215 100 HB2 CYS 9 HB2 CYS 655 3.302 -19.062 -7.325 101 HB3 CYS 9 HB3 CYS 655 2.158 -19.039 -6.035 102 H ILE 10 H ILE 656 -0.002 -17.132 -8.519 103 HA ILE 10 HA ILE 656 -1.806 -15.632 -6.992 104 HB ILE 10 HB ILE 656 -3.607 -17.006 -8.087 105 HG12 ILE 10 HG12 ILE 656 -2.992 -18.423 -10.019 106 HG13 ILE 10 HG13 ILE 656 -1.320 -18.505 -9.462 107 HG21 ILE 10 HG21 ILE 656 -2.957 -16.150 -10.367 108 HG22 ILE 10 HG22 ILE 656 -2.763 -14.996 -9.036 109 HG23 ILE 10 HG23 ILE 656 -1.339 -15.817 -9.691 110 HD11 ILE 10 HD11 ILE 656 -2.930 -20.482 -9.058 111 HD12 ILE 10 HD12 ILE 656 -1.941 -19.974 -7.699 112 HD13 ILE 10 HD13 ILE 656 -3.664 -19.493 -7.777 113 H CYS 11 H CYS 657 -0.452 -18.551 -6.238 114 HA CYS 11 HA CYS 657 -2.510 -19.804 -4.632 115 HB2 CYS 11 HB2 CYS 657 0.384 -20.181 -5.344 116 HB3 CYS 11 HB3 CYS 657 -0.235 -21.031 -3.848 117 H GLU 12 H GLU 658 -0.402 -17.081 -4.177 118 HA GLU 12 HA GLU 658 0.658 -16.035 -2.539 119 HB2 GLU 12 HB2 GLU 658 -2.020 -16.651 -1.224 120 HB3 GLU 12 HB3 GLU 658 -0.852 -15.472 -0.567 121 HG2 GLU 12 HG2 GLU 658 -0.988 -14.158 -2.655 122 HG3 GLU 12 HG3 GLU 658 -2.125 -15.320 -3.337 123 H VAL 13 H VAL 659 1.577 -18.404 -2.808 124 HA VAL 13 HA VAL 659 2.656 -19.050 -0.141 125 HB VAL 13 HB VAL 659 0.937 -20.720 -1.164 126 HG11 VAL 13 HG11 VAL 659 3.366 -21.648 -2.716 127 HG12 VAL 13 HG12 VAL 659 1.783 -22.446 -2.587 128 HG13 VAL 13 HG13 VAL 659 1.942 -20.874 -3.401 129 HG21 VAL 13 HG21 VAL 659 2.177 -22.627 -0.153 130 HG22 VAL 13 HG22 VAL 659 3.634 -21.616 -0.065 131 HG23 VAL 13 HG23 VAL 659 2.193 -21.180 0.860 132 H GLN 14 H GLN 660 4.788 -19.034 -0.089 133 HA GLN 14 HA GLN 660 6.375 -18.606 -2.524 134 HB2 GLN 14 HB2 GLN 660 7.120 -18.736 0.387 135 HB3 GLN 14 HB3 GLN 660 8.295 -18.577 -0.929 136 HG2 GLN 14 HG2 GLN 660 7.770 -16.445 0.195 137 HG3 GLN 14 HG3 GLN 660 7.462 -16.411 -1.525 138 HE21 GLN 14 HE21 GLN 660 5.258 -16.078 -2.243 139 HE22 GLN 14 HE22 GLN 660 3.977 -15.714 -1.071 140 H GLU 15 H GLU 661 5.036 -21.352 -1.675 141 HA GLU 15 HA GLU 661 7.057 -23.307 -1.236 142 HB2 GLU 15 HB2 GLU 661 4.691 -23.634 -0.590 143 HB3 GLU 15 HB3 GLU 661 4.233 -23.623 -2.294 144 HG2 GLU 15 HG2 GLU 661 4.250 -25.873 -1.422 145 HG3 GLU 15 HG3 GLU 661 5.444 -25.692 -2.697 146 H GLU 16 H GLU 662 7.629 -24.985 -2.786 147 HA GLU 16 HA GLU 662 7.769 -24.065 -5.505 148 HB2 GLU 16 HB2 GLU 662 9.919 -25.785 -4.865 149 HB3 GLU 16 HB3 GLU 662 9.782 -24.512 -6.001 150 HG2 GLU 16 HG2 GLU 662 11.173 -23.409 -4.747 151 HG3 GLU 16 HG3 GLU 662 9.737 -22.853 -3.972 152 H ASN 17 H ASN 663 6.677 -25.143 -6.422 153 HA ASN 17 HA ASN 663 5.888 -27.917 -6.329 154 HB2 ASN 17 HB2 ASN 663 5.509 -25.818 -8.461 155 HB3 ASN 17 HB3 ASN 663 5.046 -27.476 -8.733 156 HD21 ASN 17 HD21 ASN 663 2.719 -27.224 -8.887 157 HD22 ASN 17 HD22 ASN 663 1.944 -26.192 -7.731 158 H ASP 18 H ASP 664 6.138 -29.237 -8.485 159 HA ASP 18 HA ASP 664 8.895 -29.849 -9.122 160 HB2 ASP 18 HB2 ASP 664 6.947 -31.443 -9.205 161 HB3 ASP 18 HB3 ASP 664 6.336 -30.566 -10.610 162 H PHE 19 H PHE 665 6.821 -27.316 -10.385 163 HA PHE 19 HA PHE 665 9.081 -26.587 -12.077 164 HB2 PHE 19 HB2 PHE 665 7.559 -27.694 -13.707 165 HB3 PHE 19 HB3 PHE 665 6.216 -26.753 -13.098 166 HD1 PHE 19 HD1 PHE 665 5.567 -25.316 -14.842 167 HD2 PHE 19 HD2 PHE 665 9.764 -25.952 -14.061 168 HE1 PHE 19 HE1 PHE 665 6.171 -23.710 -16.628 169 HE2 PHE 19 HE2 PHE 665 10.367 -24.298 -15.752 170 HZ PHE 19 HZ PHE 665 8.542 -23.270 -17.130 171 H MET 20 H MET 666 9.615 -24.427 -12.094 172 HA MET 20 HA MET 666 7.576 -22.477 -11.429 173 HB2 MET 20 HB2 MET 666 10.287 -22.198 -10.172 174 HB3 MET 20 HB3 MET 666 8.970 -21.163 -9.865 175 HG2 MET 20 HG2 MET 666 7.874 -23.458 -9.073 176 HG3 MET 20 HG3 MET 666 9.541 -24.014 -8.981 177 HE1 MET 20 HE1 MET 666 7.738 -20.454 -7.645 178 HE2 MET 20 HE2 MET 666 6.838 -21.966 -7.814 179 HE3 MET 20 HE3 MET 666 7.293 -21.428 -6.188 180 H ILE 21 H ILE 667 7.968 -20.337 -12.194 181 HA ILE 21 HA ILE 667 10.130 -19.986 -14.197 182 HB ILE 21 HB ILE 667 7.358 -18.884 -14.624 183 HG12 ILE 21 HG12 ILE 667 8.255 -21.182 -16.354 184 HG13 ILE 21 HG13 ILE 667 7.655 -21.573 -14.736 185 HG21 ILE 21 HG21 ILE 667 7.842 -18.663 -17.065 186 HG22 ILE 21 HG22 ILE 667 9.094 -17.837 -16.124 187 HG23 ILE 21 HG23 ILE 667 9.406 -19.407 -16.898 188 HD11 ILE 21 HD11 ILE 667 6.210 -20.032 -16.825 189 HD12 ILE 21 HD12 ILE 667 5.845 -21.618 -16.148 190 HD13 ILE 21 HD13 ILE 667 5.677 -20.168 -15.115 191 H GLN 22 H GLN 668 10.591 -17.680 -14.649 192 HA GLN 22 HA GLN 668 9.856 -15.914 -12.321 193 HB2 GLN 22 HB2 GLN 668 12.257 -16.348 -12.335 194 HB3 GLN 22 HB3 GLN 668 12.281 -16.091 -14.104 195 HG2 GLN 22 HG2 GLN 668 12.090 -13.697 -13.919 196 HG3 GLN 22 HG3 GLN 668 11.450 -13.881 -12.312 197 HE21 GLN 22 HE21 GLN 668 13.037 -13.616 -10.538 198 HE22 GLN 22 HE22 GLN 668 14.759 -13.718 -10.887 199 H CYS 23 H CYS 669 8.892 -13.999 -12.634 200 HA CYS 23 HA CYS 669 7.829 -13.172 -15.202 201 HB2 CYS 23 HB2 CYS 669 6.831 -12.669 -12.965 202 HB3 CYS 23 HB3 CYS 669 8.247 -11.721 -12.548 203 H GLU 24 H GLU 670 8.642 -11.891 -16.705 204 HA GLU 24 HA GLU 670 11.455 -11.094 -16.540 205 HB2 GLU 24 HB2 GLU 670 11.135 -10.352 -18.771 206 HB3 GLU 24 HB3 GLU 670 10.374 -11.915 -18.617 207 HG2 GLU 24 HG2 GLU 670 8.475 -10.904 -19.527 208 HG3 GLU 24 HG3 GLU 670 8.277 -10.290 -17.940 209 H GLU 25 H GLU 671 8.524 -9.522 -15.585 210 HA GLU 25 HA GLU 671 9.580 -6.802 -15.981 211 HB2 GLU 25 HB2 GLU 671 7.270 -7.451 -16.455 212 HB3 GLU 25 HB3 GLU 671 6.998 -7.776 -14.802 213 HG2 GLU 25 HG2 GLU 671 6.082 -5.585 -15.654 214 HG3 GLU 25 HG3 GLU 671 6.981 -5.540 -14.157 215 H CYS 26 H CYS 672 8.324 -8.583 -13.153 216 HA CYS 26 HA CYS 672 9.927 -6.843 -11.433 217 HB2 CYS 26 HB2 CYS 672 8.448 -7.353 -9.745 218 HB3 CYS 26 HB3 CYS 672 7.496 -6.805 -11.141 219 H GLN 27 H GLN 673 10.360 -9.875 -12.620 220 HA GLN 27 HA GLN 673 11.725 -11.488 -12.176 221 HB2 GLN 27 HB2 GLN 673 12.708 -9.457 -10.332 222 HB3 GLN 27 HB3 GLN 673 12.937 -10.960 -9.657 223 HG2 GLN 27 HG2 GLN 673 14.824 -11.272 -10.756 224 HG3 GLN 27 HG3 GLN 673 14.008 -11.344 -12.287 225 HE21 GLN 27 HE21 GLN 673 13.385 -9.183 -13.365 226 HE22 GLN 27 HE22 GLN 673 14.625 -7.956 -13.274 227 H CYS 28 H CYS 674 9.042 -11.158 -10.339 228 HA CYS 28 HA CYS 674 9.667 -13.048 -8.309 229 HB2 CYS 28 HB2 CYS 674 7.207 -13.095 -7.983 230 HB3 CYS 28 HB3 CYS 674 7.937 -11.420 -8.097 231 HG CYS 28 HG CYS 674 5.584 -11.373 -9.255 232 H TRP 29 H TRP 675 8.966 -15.182 -7.982 233 HA TRP 29 HA TRP 675 8.883 -16.776 -10.436 234 HB2 TRP 29 HB2 TRP 675 9.904 -17.153 -7.668 235 HB3 TRP 29 HB3 TRP 675 9.631 -18.560 -8.707 236 HD1 TRP 29 HD1 TRP 675 11.815 -15.468 -8.350 237 HE1 TRP 29 HE1 TRP 675 14.077 -15.831 -9.630 238 HE3 TRP 29 HE3 TRP 675 10.634 -19.754 -10.775 239 HZ2 TRP 29 HZ2 TRP 675 15.148 -17.824 -11.323 240 HZ3 TRP 29 HZ3 TRP 675 12.315 -20.849 -12.313 241 HH2 TRP 29 HH2 TRP 675 14.571 -19.897 -12.553 242 H GLN 30 H GLN 676 7.374 -18.450 -10.854 243 HA GLN 30 HA GLN 676 5.237 -18.811 -8.792 244 HB2 GLN 30 HB2 GLN 676 4.793 -18.266 -11.766 245 HB3 GLN 30 HB3 GLN 676 3.532 -18.646 -10.587 246 HG2 GLN 30 HG2 GLN 676 3.338 -16.368 -10.782 247 HG3 GLN 30 HG3 GLN 676 4.221 -16.713 -9.282 248 HE21 GLN 30 HE21 GLN 676 5.278 -14.715 -9.193 249 HE22 GLN 30 HE22 GLN 676 6.471 -14.249 -10.423 250 H HIS 31 H HIS 677 3.862 -20.660 -9.250 251 HA HIS 31 HA HIS 677 5.345 -22.884 -10.430 252 HB2 HIS 31 HB2 HIS 677 2.367 -22.932 -9.858 253 HB3 HIS 31 HB3 HIS 677 3.505 -24.233 -9.868 254 HD2 HIS 31 HD2 HIS 677 5.608 -23.633 -7.974 255 HE1 HIS 31 HE1 HIS 677 2.828 -22.372 -4.973 256 HE2 HIS 31 HE2 HIS 677 5.195 -23.109 -5.379 257 H GLY 32 H GLY 678 5.520 -22.992 -12.641 258 HA2 GLY 32 HA2 GLY 678 4.076 -21.341 -14.330 259 HA3 GLY 32 HA3 GLY 678 4.790 -22.905 -14.868 260 H VAL 33 H VAL 679 3.159 -24.600 -13.439 261 HA VAL 33 HA VAL 679 0.955 -24.890 -15.183 262 HB VAL 33 HB VAL 679 2.076 -26.663 -14.038 263 HG11 VAL 33 HG11 VAL 679 2.230 -25.729 -11.723 264 HG12 VAL 33 HG12 VAL 679 0.474 -25.900 -11.539 265 HG13 VAL 33 HG13 VAL 679 1.496 -27.337 -11.743 266 HG21 VAL 33 HG21 VAL 679 -0.150 -27.046 -15.049 267 HG22 VAL 33 HG22 VAL 679 0.162 -28.114 -13.676 268 HG23 VAL 33 HG23 VAL 679 -0.918 -26.724 -13.471 269 H CYS 34 H CYS 680 1.181 -23.002 -12.249 270 HA CYS 34 HA CYS 680 -1.690 -22.584 -11.751 271 HB2 CYS 34 HB2 CYS 680 0.792 -21.178 -10.774 272 HB3 CYS 34 HB3 CYS 680 -0.821 -20.796 -10.324 273 H MET 35 H MET 681 0.891 -21.169 -13.645 274 HA MET 35 HA MET 681 -0.496 -18.633 -14.310 275 HB2 MET 35 HB2 MET 681 2.305 -19.682 -14.861 276 HB3 MET 35 HB3 MET 681 1.726 -18.089 -15.193 277 HG2 MET 35 HG2 MET 681 1.726 -19.075 -12.350 278 HG3 MET 35 HG3 MET 681 3.123 -18.333 -13.124 279 HE1 MET 35 HE1 MET 681 -0.737 -17.711 -12.430 280 HE2 MET 35 HE2 MET 681 0.158 -17.449 -10.906 281 HE3 MET 35 HE3 MET 681 -0.614 -16.080 -11.755 282 H GLY 36 H GLY 682 -0.239 -21.769 -15.685 283 HA2 GLY 36 HA2 GLY 682 -1.102 -22.600 -17.643 284 HA3 GLY 36 HA3 GLY 682 -1.339 -20.967 -18.280 285 H LEU 37 H LEU 683 1.715 -22.114 -16.950 286 HA LEU 37 HA LEU 683 2.768 -22.526 -19.682 287 HB2 LEU 37 HB2 LEU 683 4.520 -21.252 -17.667 288 HB3 LEU 37 HB3 LEU 683 4.700 -21.131 -19.361 289 HG LEU 37 HG LEU 683 2.258 -19.683 -18.471 290 HD11 LEU 37 HD11 LEU 683 3.124 -18.010 -17.155 291 HD12 LEU 37 HD12 LEU 683 3.772 -19.462 -16.380 292 HD13 LEU 37 HD13 LEU 683 4.814 -18.459 -17.419 293 HD21 LEU 37 HD21 LEU 683 3.513 -19.411 -20.572 294 HD22 LEU 37 HD22 LEU 683 3.363 -17.903 -19.633 295 HD23 LEU 37 HD23 LEU 683 4.920 -18.807 -19.606 296 H LEU 38 H LEU 684 4.754 -23.809 -19.702 297 HA LEU 38 HA LEU 684 5.279 -25.690 -17.542 298 HB2 LEU 38 HB2 LEU 684 3.980 -26.155 -20.231 299 HB3 LEU 38 HB3 LEU 684 5.375 -27.134 -19.897 300 HG LEU 38 HG LEU 684 3.057 -28.046 -19.355 301 HD11 LEU 38 HD11 LEU 684 5.323 -28.094 -17.314 302 HD12 LEU 38 HD12 LEU 684 4.093 -29.367 -17.529 303 HD13 LEU 38 HD13 LEU 684 5.263 -29.016 -18.826 304 HD21 LEU 38 HD21 LEU 684 2.197 -26.152 -18.051 305 HD22 LEU 38 HD22 LEU 684 2.116 -27.713 -17.201 306 HD23 LEU 38 HD23 LEU 684 3.364 -26.537 -16.758 307 H GLU 39 H GLU 685 7.395 -26.800 -18.063 308 HA GLU 39 HA GLU 685 9.381 -25.020 -19.063 309 HB2 GLU 39 HB2 GLU 685 10.789 -27.071 -19.158 310 HB3 GLU 39 HB3 GLU 685 10.107 -26.770 -17.570 311 HG2 GLU 39 HG2 GLU 685 10.028 -29.085 -17.882 312 HG3 GLU 39 HG3 GLU 685 8.383 -28.474 -17.886 313 H GLU 40 H GLU 686 7.297 -27.226 -20.817 314 HA GLU 40 HA GLU 686 8.767 -27.059 -23.308 315 HB2 GLU 40 HB2 GLU 686 6.603 -27.530 -24.442 316 HB3 GLU 40 HB3 GLU 686 7.187 -28.777 -23.329 317 HG2 GLU 40 HG2 GLU 686 5.525 -28.325 -21.765 318 HG3 GLU 40 HG3 GLU 686 5.123 -26.730 -22.449 319 H ASN 41 H ASN 687 6.320 -24.915 -21.872 320 HA ASN 41 HA ASN 687 6.223 -23.327 -24.393 321 HB2 ASN 41 HB2 ASN 687 4.552 -23.148 -21.906 322 HB3 ASN 41 HB3 ASN 687 4.241 -22.296 -23.349 323 HD21 ASN 41 HD21 ASN 687 1.844 -25.036 -23.182 324 HD22 ASN 41 HD22 ASN 687 2.239 -23.713 -22.140 325 H VAL 42 H VAL 688 8.199 -23.040 -21.724 326 HA VAL 42 HA VAL 688 7.812 -20.525 -20.614 327 HB VAL 42 HB VAL 688 10.475 -21.805 -21.189 328 HG11 VAL 42 HG11 VAL 688 9.833 -19.529 -19.276 329 HG12 VAL 42 HG12 VAL 688 11.404 -20.355 -19.494 330 HG13 VAL 42 HG13 VAL 688 10.774 -19.357 -20.768 331 HG21 VAL 42 HG21 VAL 688 10.391 -22.667 -19.089 332 HG22 VAL 42 HG22 VAL 688 8.903 -21.725 -18.654 333 HG23 VAL 42 HG23 VAL 688 8.867 -23.063 -19.819 334 HA PRO 43 HA PRO 689 8.592 -18.009 -24.275 335 HB2 PRO 43 HB2 PRO 689 7.306 -15.748 -23.421 336 HB3 PRO 43 HB3 PRO 689 6.388 -17.190 -23.929 337 HG2 PRO 43 HG2 PRO 689 7.103 -16.293 -21.159 338 HG3 PRO 43 HG3 PRO 689 5.507 -16.833 -21.759 339 HD2 PRO 43 HD2 PRO 689 7.255 -18.525 -20.438 340 HD3 PRO 43 HD3 PRO 689 6.196 -19.108 -21.683 341 H GLU 44 H GLU 690 9.594 -15.811 -24.589 342 HA GLU 44 HA GLU 690 11.999 -15.633 -22.876 343 HB2 GLU 44 HB2 GLU 690 11.122 -14.439 -25.491 344 HB3 GLU 44 HB3 GLU 690 12.233 -13.475 -24.529 345 HG2 GLU 44 HG2 GLU 690 12.862 -16.379 -25.203 346 HG3 GLU 44 HG3 GLU 690 13.205 -15.053 -26.303 347 H LYS 45 H LYS 691 8.949 -13.915 -23.403 348 HA LYS 45 HA LYS 691 9.431 -12.441 -20.874 349 HB2 LYS 45 HB2 LYS 691 8.217 -11.399 -23.457 350 HB3 LYS 45 HB3 LYS 691 8.013 -10.676 -21.899 351 HG2 LYS 45 HG2 LYS 691 10.511 -10.399 -21.690 352 HG3 LYS 45 HG3 LYS 691 10.676 -10.939 -23.370 353 HD2 LYS 45 HD2 LYS 691 9.223 -9.094 -24.137 354 HD3 LYS 45 HD3 LYS 691 9.004 -8.546 -22.477 355 HE2 LYS 45 HE2 LYS 691 11.596 -8.501 -24.089 356 HE3 LYS 45 HE3 LYS 691 10.589 -7.133 -23.622 357 HZ1 LYS 45 HZ1 LYS 691 12.281 -8.778 -21.838 358 HZ2 LYS 45 HZ2 LYS 691 12.302 -7.161 -22.039 359 HZ3 LYS 45 HZ3 LYS 691 11.062 -7.882 -21.219 360 H TYR 46 H TYR 692 8.396 -14.230 -19.951 361 HA TYR 46 HA TYR 692 5.425 -14.084 -20.122 362 HB2 TYR 46 HB2 TYR 692 5.805 -16.245 -19.404 363 HB3 TYR 46 HB3 TYR 692 7.360 -15.898 -18.713 364 HD1 TYR 46 HD1 TYR 692 3.693 -15.627 -18.125 365 HD2 TYR 46 HD2 TYR 692 7.665 -15.557 -16.466 366 HE1 TYR 46 HE1 TYR 692 2.733 -15.434 -15.788 367 HE2 TYR 46 HE2 TYR 692 6.715 -15.533 -14.164 368 HH TYR 46 HH TYR 692 4.836 -15.636 -12.968 369 H THR 47 H THR 693 4.274 -12.662 -19.217 370 HA THR 47 HA THR 693 5.209 -10.949 -16.979 371 HB THR 47 HB THR 693 2.844 -9.995 -17.493 372 HG1 THR 47 HG1 THR 693 2.158 -11.349 -19.123 373 HG21 THR 47 HG21 THR 693 5.239 -9.459 -19.272 374 HG22 THR 47 HG22 THR 693 3.841 -8.373 -19.041 375 HG23 THR 47 HG23 THR 693 4.916 -8.724 -17.679 376 H CYS 48 H CYS 694 4.459 -11.201 -14.957 377 HA CYS 48 HA CYS 694 2.617 -13.387 -14.356 378 HB2 CYS 48 HB2 CYS 694 3.494 -13.198 -12.184 379 HB3 CYS 48 HB3 CYS 694 4.852 -12.690 -13.074 380 H TYR 49 H TYR 695 0.594 -13.240 -13.357 381 HA TYR 49 HA TYR 695 -1.182 -11.262 -13.680 382 HB2 TYR 49 HB2 TYR 695 -2.371 -12.212 -11.981 383 HB3 TYR 49 HB3 TYR 695 -1.432 -13.540 -12.642 384 HD1 TYR 49 HD1 TYR 695 1.004 -13.901 -11.412 385 HD2 TYR 49 HD2 TYR 695 -2.492 -12.071 -9.628 386 HE1 TYR 49 HE1 TYR 695 1.924 -14.300 -9.165 387 HE2 TYR 49 HE2 TYR 695 -1.545 -12.480 -7.368 388 HH TYR 49 HH TYR 695 0.287 -13.224 -6.159 389 H VAL 50 H VAL 696 1.135 -11.050 -10.920 390 HA VAL 50 HA VAL 696 0.059 -8.691 -9.785 391 HB VAL 50 HB VAL 696 2.576 -10.234 -9.548 392 HG11 VAL 50 HG11 VAL 696 2.539 -7.362 -8.618 393 HG12 VAL 50 HG12 VAL 696 3.730 -8.606 -8.168 394 HG13 VAL 50 HG13 VAL 696 3.622 -8.082 -9.849 395 HG21 VAL 50 HG21 VAL 696 0.873 -8.908 -7.436 396 HG22 VAL 50 HG22 VAL 696 0.596 -10.532 -8.091 397 HG23 VAL 50 HG23 VAL 696 2.096 -10.191 -7.226 398 H CYS 51 H CYS 697 2.114 -9.084 -12.625 399 HA CYS 51 HA CYS 697 2.227 -6.187 -13.110 400 HB2 CYS 51 HB2 CYS 697 3.527 -8.463 -14.579 401 HB3 CYS 51 HB3 CYS 697 3.713 -6.760 -14.939 402 H GLN 52 H GLN 698 1.294 -9.196 -15.093 403 HA GLN 52 HA GLN 698 -0.188 -7.374 -16.865 404 HB2 GLN 52 HB2 GLN 698 -0.824 -9.485 -17.956 405 HB3 GLN 52 HB3 GLN 698 0.902 -9.231 -17.950 406 HG2 GLN 52 HG2 GLN 698 1.187 -11.090 -16.599 407 HG3 GLN 52 HG3 GLN 698 -0.329 -11.028 -15.829 408 HE21 GLN 52 HE21 GLN 698 -2.069 -12.457 -16.772 409 HE22 GLN 52 HE22 GLN 698 -1.723 -13.325 -18.257 410 H ASP 53 H ASP 699 -1.179 -9.603 -14.349 411 HA ASP 53 HA ASP 699 -3.149 -10.300 -13.492 412 HB2 ASP 53 HB2 ASP 699 -3.807 -7.961 -13.097 413 HB3 ASP 53 HB3 ASP 699 -4.362 -7.852 -14.750 414 H1 ALA 1 H1 ALA 1 13.318 -15.141 -19.540 415 H2 ALA 1 H2 ALA 1 11.865 -14.647 -20.091 416 H3 ALA 1 H3 ALA 1 12.330 -16.211 -20.297 417 HA ALA 1 HA ALA 1 11.693 -14.894 -17.711 418 HB1 ALA 1 HB1 ALA 1 10.203 -17.184 -19.114 419 HB2 ALA 1 HB2 ALA 1 9.825 -16.480 -17.559 420 HB3 ALA 1 HB3 ALA 1 9.660 -15.494 -19.006 421 H ARG 2 H ARG 2 13.202 -15.746 -16.144 422 HA ARG 2 HA ARG 2 14.880 -18.025 -16.568 423 HB2 ARG 2 HB2 ARG 2 14.796 -15.952 -14.791 424 HB3 ARG 2 HB3 ARG 2 14.244 -17.259 -13.734 425 HG2 ARG 2 HG2 ARG 2 16.246 -18.470 -13.983 426 HG3 ARG 2 HG3 ARG 2 16.853 -17.337 -15.217 427 HD2 ARG 2 HD2 ARG 2 16.929 -15.515 -13.606 428 HD3 ARG 2 HD3 ARG 2 16.117 -16.442 -12.370 429 HE ARG 2 HE ARG 2 18.726 -17.399 -13.510 430 HH11 ARG 2 HH11 ARG 2 17.119 -16.204 -10.552 431 HH12 ARG 2 HH12 ARG 2 18.486 -16.698 -9.599 432 HH21 ARG 2 HH21 ARG 2 20.363 -17.937 -12.176 433 HH22 ARG 2 HH22 ARG 2 20.258 -17.622 -10.474 434 H THR 3 H THR 3 14.858 -20.152 -15.635 435 HA THR 3 HA THR 3 12.382 -21.118 -14.331 436 HB THR 3 HB THR 3 12.484 -23.150 -15.951 437 HG1 THR 3 HG1 THR 3 14.161 -22.500 -17.309 438 HG21 THR 3 HG21 THR 3 10.649 -22.177 -17.126 439 HG22 THR 3 HG22 THR 3 10.601 -21.519 -15.542 440 HG23 THR 3 HG23 THR 3 11.251 -20.524 -16.862 441 H MLY 4 H MLY 4 12.522 -23.233 -13.328 442 HA MLY 4 HA MLY 4 15.318 -24.051 -12.859 443 HB2 MLY 4 HB2 MLY 4 15.095 -23.704 -10.432 444 HB3 MLY 4 HB3 MLY 4 14.754 -22.217 -11.311 445 HG2 MLY 4 HG2 MLY 4 12.276 -22.775 -11.097 446 HG3 MLY 4 HG3 MLY 4 12.712 -24.040 -9.961 447 HD2 MLY 4 HD2 MLY 4 13.807 -21.217 -9.548 448 HD3 MLY 4 HD3 MLY 4 12.128 -21.537 -9.176 449 HE2 MLY 4 HE2 MLY 4 12.744 -23.315 -7.571 450 HE3 MLY 4 HE3 MLY 4 14.444 -23.136 -8.012 451 HH11 MLY 4 HH11 MLY 4 12.549 -20.083 -5.734 452 HH12 MLY 4 HH12 MLY 4 11.998 -20.264 -7.392 453 HH13 MLY 4 HH13 MLY 4 11.620 -21.515 -6.193 454 HH21 MLY 4 HH21 MLY 4 14.373 -21.374 -4.838 455 HH22 MLY 4 HH22 MLY 4 13.530 -22.888 -5.212 456 HH23 MLY 4 HH23 MLY 4 15.182 -22.609 -5.801 457 HZ MLY 4 HZ MLY 4 14.348 -20.837 -7.201 458 H GLN 5 H GLN 5 12.001 -25.211 -12.704 459 HA GLN 5 HA GLN 5 11.152 -27.270 -12.155 460 HB2 GLN 5 HB2 GLN 5 13.722 -28.034 -13.555 461 HB3 GLN 5 HB3 GLN 5 12.527 -29.235 -13.067 462 HG2 GLN 5 HG2 GLN 5 10.795 -28.192 -14.373 463 HG3 GLN 5 HG3 GLN 5 11.891 -26.872 -14.858 464 HE21 GLN 5 HE21 GLN 5 11.690 -30.507 -14.971 465 HE22 GLN 5 HE22 GLN 5 12.454 -30.605 -16.553 466 H THR 6 H THR 6 12.932 -26.054 -9.999 467 HA THR 6 HA THR 6 13.816 -26.569 -7.953 468 HB THR 6 HB THR 6 11.655 -28.694 -7.999 469 HG1 THR 6 HG1 THR 6 10.354 -27.062 -7.629 470 HG21 THR 6 HG21 THR 6 13.127 -28.954 -5.986 471 HG22 THR 6 HG22 THR 6 12.966 -27.225 -5.651 472 HG23 THR 6 HG23 THR 6 11.554 -28.313 -5.556 473 H ALA 7 H ALA 7 15.681 -27.199 -9.466 474 HA ALA 7 HA ALA 7 16.487 -29.916 -9.732 475 HB1 ALA 7 HB1 ALA 7 17.334 -28.062 -11.124 476 HB2 ALA 7 HB2 ALA 7 18.152 -27.359 -9.709 477 HB3 ALA 7 HB3 ALA 7 18.669 -28.934 -10.343 478 H ARG 8 H ARG 8 18.202 -31.070 -8.721 479 HA ARG 8 HA ARG 8 17.996 -31.100 -5.863 480 HB2 ARG 8 HB2 ARG 8 19.324 -33.083 -5.944 481 HB3 ARG 8 HB3 ARG 8 18.184 -33.109 -7.282 482 HG2 ARG 8 HG2 ARG 8 20.011 -32.393 -8.843 483 HG3 ARG 8 HG3 ARG 8 21.164 -32.415 -7.501 484 HD2 ARG 8 HD2 ARG 8 19.549 -34.815 -8.459 485 HD3 ARG 8 HD3 ARG 8 21.215 -34.455 -8.948 486 HE ARG 8 HE ARG 8 21.227 -34.477 -6.138 487 HH11 ARG 8 HH11 ARG 8 20.607 -36.852 -8.641 488 HH12 ARG 8 HH12 ARG 8 21.114 -38.184 -7.637 489 HH21 ARG 8 HH21 ARG 8 21.863 -36.217 -4.906 490 HH22 ARG 8 HH22 ARG 8 21.809 -37.821 -5.575 491 H LYS 9 H LYS 9 20.236 -29.350 -7.764 492 HA LYS 9 HA LYS 9 22.570 -29.457 -6.121 493 HB2 LYS 9 HB2 LYS 9 22.476 -28.681 -8.481 494 HB3 LYS 9 HB3 LYS 9 21.629 -27.216 -7.969 495 HG2 LYS 9 HG2 LYS 9 23.586 -26.535 -6.617 496 HG3 LYS 9 HG3 LYS 9 24.418 -28.046 -7.042 497 HD2 LYS 9 HD2 LYS 9 24.387 -27.389 -9.434 498 HD3 LYS 9 HD3 LYS 9 23.543 -25.882 -9.014 499 HE2 LYS 9 HE2 LYS 9 25.461 -25.213 -7.577 500 HE3 LYS 9 HE3 LYS 9 26.297 -26.718 -7.980 501 HZ1 LYS 9 HZ1 LYS 9 26.336 -25.984 -10.320 502 HZ2 LYS 9 HZ2 LYS 9 25.572 -24.590 -9.934 503 HZ3 LYS 9 HZ3 LYS 9 27.075 -24.882 -9.375 504 H SER 10 H SER 10 23.295 -28.304 -4.416 505 HA SER 10 HA SER 10 21.884 -25.973 -3.325 506 HB2 SER 10 HB2 SER 10 20.627 -27.950 -2.449 507 HB3 SER 10 HB3 SER 10 22.118 -28.513 -1.672 508 HG SER 10 HG SER 10 20.780 -27.269 -0.249 509 H THR 11 H THR 11 23.032 -25.104 -1.396 510 HA THR 11 HA THR 11 25.922 -24.947 -1.892 511 HB THR 11 HB THR 11 24.161 -23.601 0.188 512 HG1 THR 11 HG1 THR 11 23.819 -22.997 -2.004 513 HG21 THR 11 HG21 THR 11 26.068 -22.012 0.428 514 HG22 THR 11 HG22 THR 11 26.465 -23.628 1.024 515 HG23 THR 11 HG23 THR 11 27.076 -23.096 -0.559 516 HN1 NH2 12 H01 THR 11 24.022 -25.875 0.991 517 HN2 NH2 12 H02 THR 11 25.290 -26.887 1.644 Start of MODEL 4 1 H1 GLY -3 H1 GLY -3 9.365 -5.269 5.797 2 H2 GLY -3 H2 GLY -3 9.671 -5.981 4.355 3 H3 GLY -3 H3 GLY -3 10.565 -6.370 5.669 4 HA2 GLY -3 HA2 GLY -3 10.517 -3.709 4.371 5 HA3 GLY -3 HA3 GLY -3 11.495 -4.143 5.784 6 H HIS -2 H HIS -2 13.413 -3.590 4.686 7 HA HIS -2 HA HIS -2 15.284 -3.883 3.460 8 HB2 HIS -2 HB2 HIS -2 15.131 -5.916 4.943 9 HB3 HIS -2 HB3 HIS -2 14.627 -6.832 3.525 10 HD2 HIS -2 HD2 HIS -2 16.593 -7.940 2.236 11 HE1 HIS -2 HE1 HIS -2 19.830 -5.485 3.542 12 HE2 HIS -2 HE2 HIS -2 19.199 -7.532 2.166 13 H MET -1 H MET -1 13.096 -3.163 1.841 14 HA MET -1 HA MET -1 12.914 -4.649 -0.630 15 HB2 MET -1 HB2 MET -1 12.056 -2.467 -1.522 16 HB3 MET -1 HB3 MET -1 11.187 -3.087 -0.100 17 HG2 MET -1 HG2 MET -1 12.581 -1.419 1.268 18 HG3 MET -1 HG3 MET -1 13.161 -0.761 -0.248 19 HE1 MET -1 HE1 MET -1 10.003 0.910 -1.809 20 HE2 MET -1 HE2 MET -1 11.756 0.660 -1.925 21 HE3 MET -1 HE3 MET -1 10.636 -0.699 -2.199 22 H ASP 0 H ASP 646 15.124 -2.088 0.342 23 HA ASP 0 HA ASP 646 16.598 -0.800 -0.773 24 HB2 ASP 0 HB2 ASP 646 17.245 -3.516 -1.988 25 HB3 ASP 0 HB3 ASP 646 18.180 -2.085 -2.352 26 H ARG 1 H ARG 647 14.025 -1.303 -2.112 27 HA ARG 1 HA ARG 647 12.738 -0.830 -4.008 28 HB2 ARG 1 HB2 ARG 647 13.046 1.194 -4.988 29 HB3 ARG 1 HB3 ARG 647 13.861 1.337 -3.445 30 HG2 ARG 1 HG2 ARG 647 15.776 0.467 -5.471 31 HG3 ARG 1 HG3 ARG 647 14.843 1.804 -6.125 32 HD2 ARG 1 HD2 ARG 647 15.375 3.189 -4.170 33 HD3 ARG 1 HD3 ARG 647 16.241 1.862 -3.422 34 HE ARG 1 HE ARG 647 17.111 3.570 -5.680 35 HH11 ARG 1 HH11 ARG 647 17.930 0.733 -3.784 36 HH12 ARG 1 HH12 ARG 647 19.633 0.872 -4.156 37 HH21 ARG 1 HH21 ARG 647 19.266 3.647 -6.168 38 HH22 ARG 1 HH22 ARG 647 20.358 2.456 -5.523 39 H TYR 2 H TYR 648 15.129 -2.800 -4.149 40 HA TYR 2 HA TYR 648 15.630 -3.049 -7.019 41 HB2 TYR 2 HB2 TYR 648 16.581 -4.275 -4.460 42 HB3 TYR 2 HB3 TYR 648 16.758 -5.226 -5.932 43 HD1 TYR 2 HD1 TYR 648 17.069 -1.479 -5.892 44 HD2 TYR 2 HD2 TYR 648 19.168 -5.254 -5.893 45 HE1 TYR 2 HE1 TYR 648 19.149 -0.298 -6.414 46 HE2 TYR 2 HE2 TYR 648 21.288 -4.057 -6.415 47 HH TYR 2 HH TYR 648 21.416 -0.509 -6.934 48 H ASP 3 H ASP 649 15.366 -4.871 -8.267 49 HA ASP 3 HA ASP 649 12.986 -6.548 -7.787 50 HB2 ASP 3 HB2 ASP 649 13.557 -7.341 -10.133 51 HB3 ASP 3 HB3 ASP 649 12.898 -5.739 -9.921 52 H PHE 4 H PHE 650 13.336 -8.255 -6.567 53 HA PHE 4 HA PHE 650 15.770 -9.960 -6.859 54 HB2 PHE 4 HB2 PHE 650 13.925 -9.427 -4.486 55 HB3 PHE 4 HB3 PHE 650 15.201 -10.602 -4.505 56 HD1 PHE 4 HD1 PHE 650 17.591 -9.466 -5.472 57 HD2 PHE 4 HD2 PHE 650 14.455 -7.507 -3.240 58 HE1 PHE 4 HE1 PHE 650 19.235 -7.823 -4.596 59 HE2 PHE 4 HE2 PHE 650 16.108 -5.890 -2.347 60 HZ PHE 4 HZ PHE 650 18.495 -6.046 -3.018 61 H GLU 5 H GLU 651 15.570 -12.166 -6.392 62 HA GLU 5 HA GLU 651 13.475 -13.551 -7.825 63 HB2 GLU 5 HB2 GLU 651 15.533 -14.749 -5.909 64 HB3 GLU 5 HB3 GLU 651 14.860 -15.505 -7.341 65 HG2 GLU 5 HG2 GLU 651 16.840 -13.205 -7.431 66 HG3 GLU 5 HG3 GLU 651 17.231 -14.909 -7.527 67 H VAL 6 H VAL 652 11.529 -13.333 -7.009 68 HA VAL 6 HA VAL 652 10.909 -14.023 -4.140 69 HB VAL 6 HB VAL 652 10.014 -11.751 -5.922 70 HG11 VAL 6 HG11 VAL 652 7.981 -12.501 -4.740 71 HG12 VAL 6 HG12 VAL 652 8.865 -12.545 -3.194 72 HG13 VAL 6 HG13 VAL 652 8.556 -10.999 -4.026 73 HG21 VAL 6 HG21 VAL 652 10.818 -10.298 -4.151 74 HG22 VAL 6 HG22 VAL 652 11.257 -11.706 -3.143 75 HG23 VAL 6 HG23 VAL 652 12.110 -11.377 -4.667 76 H VAL 7 H VAL 653 9.908 -15.911 -4.135 77 HA VAL 7 HA VAL 653 8.279 -16.742 -6.389 78 HB VAL 7 HB VAL 653 8.566 -17.966 -3.614 79 HG11 VAL 7 HG11 VAL 653 7.209 -19.009 -6.133 80 HG12 VAL 7 HG12 VAL 653 7.634 -20.004 -4.705 81 HG13 VAL 7 HG13 VAL 653 6.407 -18.729 -4.594 82 HG21 VAL 7 HG21 VAL 653 10.600 -18.008 -5.143 83 HG22 VAL 7 HG22 VAL 653 9.937 -19.627 -4.751 84 HG23 VAL 7 HG23 VAL 653 9.609 -18.890 -6.325 85 H ARG 8 H ARG 654 6.560 -15.515 -6.783 86 HA ARG 8 HA ARG 654 4.389 -15.237 -4.738 87 HB2 ARG 8 HB2 ARG 654 5.844 -13.099 -6.214 88 HB3 ARG 8 HB3 ARG 654 4.093 -13.035 -6.413 89 HG2 ARG 8 HG2 ARG 654 3.836 -12.971 -3.959 90 HG3 ARG 8 HG3 ARG 654 5.555 -13.204 -3.753 91 HD2 ARG 8 HD2 ARG 654 6.031 -10.939 -4.527 92 HD3 ARG 8 HD3 ARG 654 4.688 -10.992 -5.641 93 HE ARG 8 HE ARG 654 3.378 -9.884 -4.077 94 HH11 ARG 8 HH11 ARG 654 5.930 -11.420 -2.186 95 HH12 ARG 8 HH12 ARG 654 5.364 -10.696 -0.717 96 HH21 ARG 8 HH21 ARG 654 2.741 -9.020 -2.172 97 HH22 ARG 8 HH22 ARG 654 3.610 -9.372 -0.710 98 H CYS 9 H CYS 655 3.462 -16.963 -5.465 99 HA CYS 9 HA CYS 655 2.278 -16.982 -8.232 100 HB2 CYS 9 HB2 CYS 655 3.320 -19.078 -7.319 101 HB3 CYS 9 HB3 CYS 655 2.166 -19.054 -6.037 102 H ILE 10 H ILE 656 0.008 -17.150 -8.547 103 HA ILE 10 HA ILE 656 -1.794 -15.635 -7.025 104 HB ILE 10 HB ILE 656 -3.603 -17.011 -8.110 105 HG12 ILE 10 HG12 ILE 656 -2.988 -18.417 -10.047 106 HG13 ILE 10 HG13 ILE 656 -1.315 -18.498 -9.496 107 HG21 ILE 10 HG21 ILE 656 -1.345 -15.792 -9.711 108 HG22 ILE 10 HG22 ILE 656 -2.971 -16.128 -10.381 109 HG23 ILE 10 HG23 ILE 656 -2.767 -14.986 -9.039 110 HD11 ILE 10 HD11 ILE 656 -1.923 -19.977 -7.739 111 HD12 ILE 10 HD12 ILE 656 -3.645 -19.495 -7.805 112 HD13 ILE 10 HD13 ILE 656 -2.920 -20.480 -9.091 113 H CYS 11 H CYS 657 -0.457 -18.565 -6.265 114 HA CYS 11 HA CYS 657 -2.524 -19.809 -4.660 115 HB2 CYS 11 HB2 CYS 657 0.373 -20.180 -5.363 116 HB3 CYS 11 HB3 CYS 657 -0.248 -21.023 -3.872 117 H GLU 12 H GLU 658 -0.417 -17.087 -4.212 118 HA GLU 12 HA GLU 658 0.631 -16.026 -2.576 119 HB2 GLU 12 HB2 GLU 658 -2.042 -16.654 -1.261 120 HB3 GLU 12 HB3 GLU 658 -0.905 -15.436 -0.633 121 HG2 GLU 12 HG2 GLU 658 -1.024 -14.267 -2.856 122 HG3 GLU 12 HG3 GLU 658 -2.306 -15.379 -3.341 123 H VAL 13 H VAL 659 1.555 -18.391 -2.825 124 HA VAL 13 HA VAL 659 2.619 -19.035 -0.154 125 HB VAL 13 HB VAL 659 0.901 -20.709 -1.194 126 HG11 VAL 13 HG11 VAL 659 1.760 -22.439 -2.609 127 HG12 VAL 13 HG12 VAL 659 1.933 -20.874 -3.425 128 HG13 VAL 13 HG13 VAL 659 3.348 -21.644 -2.717 129 HG21 VAL 13 HG21 VAL 659 3.584 -21.583 -0.054 130 HG22 VAL 13 HG22 VAL 659 2.114 -21.176 0.841 131 HG23 VAL 13 HG23 VAL 659 2.141 -22.618 -0.179 132 H GLN 14 H GLN 660 4.748 -19.008 -0.089 133 HA GLN 14 HA GLN 660 6.355 -18.604 -2.520 134 HB2 GLN 14 HB2 GLN 660 7.084 -18.719 0.392 135 HB3 GLN 14 HB3 GLN 660 8.265 -18.569 -0.918 136 HG2 GLN 14 HG2 GLN 660 7.735 -16.429 0.199 137 HG3 GLN 14 HG3 GLN 660 7.427 -16.401 -1.522 138 HE21 GLN 14 HE21 GLN 660 5.223 -16.068 -2.253 139 HE22 GLN 14 HE22 GLN 660 3.945 -15.704 -1.083 140 H GLU 15 H GLU 661 5.004 -21.336 -1.647 141 HA GLU 15 HA GLU 661 7.024 -23.299 -1.201 142 HB2 GLU 15 HB2 GLU 661 4.666 -23.605 -0.516 143 HB3 GLU 15 HB3 GLU 661 4.182 -23.617 -2.215 144 HG2 GLU 15 HG2 GLU 661 4.233 -25.865 -1.279 145 HG3 GLU 15 HG3 GLU 661 5.363 -25.690 -2.613 146 H GLU 16 H GLU 662 7.558 -25.006 -2.741 147 HA GLU 16 HA GLU 662 7.724 -24.060 -5.439 148 HB2 GLU 16 HB2 GLU 662 9.854 -25.806 -4.833 149 HB3 GLU 16 HB3 GLU 662 9.720 -24.514 -5.940 150 HG2 GLU 16 HG2 GLU 662 11.142 -23.475 -4.663 151 HG3 GLU 16 HG3 GLU 662 9.704 -22.877 -3.910 152 H ASN 17 H ASN 663 6.616 -25.084 -6.383 153 HA ASN 17 HA ASN 663 5.869 -27.905 -6.384 154 HB2 ASN 17 HB2 ASN 663 5.449 -25.726 -8.452 155 HB3 ASN 17 HB3 ASN 663 5.128 -27.394 -8.829 156 HD21 ASN 17 HD21 ASN 663 1.848 -26.394 -8.005 157 HD22 ASN 17 HD22 ASN 663 2.955 -26.541 -9.330 158 H ASP 18 H ASP 664 6.351 -29.227 -8.442 159 HA ASP 18 HA ASP 664 9.148 -29.661 -8.791 160 HB2 ASP 18 HB2 ASP 664 6.747 -30.515 -10.458 161 HB3 ASP 18 HB3 ASP 664 8.385 -31.041 -10.721 162 H PHE 19 H PHE 665 6.928 -27.700 -10.724 163 HA PHE 19 HA PHE 665 9.256 -26.582 -12.159 164 HB2 PHE 19 HB2 PHE 665 7.680 -27.742 -13.756 165 HB3 PHE 19 HB3 PHE 665 6.364 -26.808 -13.099 166 HD1 PHE 19 HD1 PHE 665 5.639 -25.388 -14.780 167 HD2 PHE 19 HD2 PHE 665 9.886 -25.971 -14.188 168 HE1 PHE 19 HE1 PHE 665 6.142 -23.774 -16.596 169 HE2 PHE 19 HE2 PHE 665 10.361 -24.308 -15.932 170 HZ PHE 19 HZ PHE 665 8.482 -23.305 -17.199 171 H MET 20 H MET 666 9.728 -24.438 -12.092 172 HA MET 20 HA MET 666 7.614 -22.555 -11.457 173 HB2 MET 20 HB2 MET 666 10.291 -22.188 -10.117 174 HB3 MET 20 HB3 MET 666 8.952 -21.193 -9.876 175 HG2 MET 20 HG2 MET 666 7.865 -23.503 -9.101 176 HG3 MET 20 HG3 MET 666 9.523 -24.036 -8.954 177 HE1 MET 20 HE1 MET 666 6.807 -21.933 -7.839 178 HE2 MET 20 HE2 MET 666 7.237 -21.464 -6.180 179 HE3 MET 20 HE3 MET 666 7.737 -20.453 -7.590 180 H ILE 21 H ILE 667 7.984 -20.376 -12.185 181 HA ILE 21 HA ILE 667 10.137 -20.001 -14.197 182 HB ILE 21 HB ILE 667 7.361 -18.923 -14.611 183 HG12 ILE 21 HG12 ILE 667 8.269 -21.205 -16.362 184 HG13 ILE 21 HG13 ILE 667 7.688 -21.620 -14.748 185 HG21 ILE 21 HG21 ILE 667 9.073 -17.849 -16.113 186 HG22 ILE 21 HG22 ILE 667 9.395 -19.411 -16.898 187 HG23 ILE 21 HG23 ILE 667 7.827 -18.680 -17.046 188 HD11 ILE 21 HD11 ILE 667 6.198 -20.049 -16.783 189 HD12 ILE 21 HD12 ILE 667 5.869 -21.665 -16.161 190 HD13 ILE 21 HD13 ILE 667 5.689 -20.252 -15.077 191 H GLN 22 H GLN 668 10.585 -17.699 -14.647 192 HA GLN 22 HA GLN 668 9.853 -15.945 -12.312 193 HB2 GLN 22 HB2 GLN 668 12.259 -16.368 -12.329 194 HB3 GLN 22 HB3 GLN 668 12.282 -16.110 -14.097 195 HG2 GLN 22 HG2 GLN 668 12.082 -13.718 -13.906 196 HG3 GLN 22 HG3 GLN 668 11.445 -13.905 -12.294 197 HE21 GLN 22 HE21 GLN 668 13.043 -13.648 -10.520 198 HE22 GLN 22 HE22 GLN 668 14.758 -13.740 -10.876 199 H CYS 23 H CYS 669 8.891 -14.025 -12.617 200 HA CYS 23 HA CYS 669 7.818 -13.196 -15.182 201 HB2 CYS 23 HB2 CYS 669 6.829 -12.695 -12.945 202 HB3 CYS 23 HB3 CYS 669 8.244 -11.741 -12.533 203 H GLU 24 H GLU 670 8.633 -11.893 -16.682 204 HA GLU 24 HA GLU 670 11.455 -11.097 -16.516 205 HB2 GLU 24 HB2 GLU 670 11.123 -10.358 -18.750 206 HB3 GLU 24 HB3 GLU 670 10.360 -11.923 -18.594 207 HG2 GLU 24 HG2 GLU 670 8.471 -10.898 -19.510 208 HG3 GLU 24 HG3 GLU 670 8.271 -10.294 -17.916 209 H GLU 25 H GLU 671 8.526 -9.532 -15.556 210 HA GLU 25 HA GLU 671 9.591 -6.806 -15.939 211 HB2 GLU 25 HB2 GLU 671 7.288 -7.448 -16.429 212 HB3 GLU 25 HB3 GLU 671 7.003 -7.786 -14.776 213 HG2 GLU 25 HG2 GLU 671 6.089 -5.594 -15.613 214 HG3 GLU 25 HG3 GLU 671 6.985 -5.557 -14.113 215 H CYS 26 H CYS 672 8.324 -8.599 -13.130 216 HA CYS 26 HA CYS 672 9.916 -6.867 -11.390 217 HB2 CYS 26 HB2 CYS 672 8.434 -7.387 -9.709 218 HB3 CYS 26 HB3 CYS 672 7.486 -6.828 -11.100 219 H GLN 27 H GLN 673 10.358 -9.893 -12.590 220 HA GLN 27 HA GLN 673 11.725 -11.509 -12.155 221 HB2 GLN 27 HB2 GLN 673 12.704 -9.495 -10.291 222 HB3 GLN 27 HB3 GLN 673 12.924 -10.999 -9.624 223 HG2 GLN 27 HG2 GLN 673 14.828 -11.287 -10.725 224 HG3 GLN 27 HG3 GLN 673 14.005 -11.374 -12.251 225 HE21 GLN 27 HE21 GLN 673 13.250 -9.149 -13.224 226 HE22 GLN 27 HE22 GLN 673 14.484 -7.908 -13.148 227 H CYS 28 H CYS 674 9.041 -11.174 -10.306 228 HA CYS 28 HA CYS 674 9.658 -13.068 -8.290 229 HB2 CYS 28 HB2 CYS 674 7.203 -13.121 -7.966 230 HB3 CYS 28 HB3 CYS 674 7.921 -11.441 -8.081 231 HG CYS 28 HG CYS 674 5.566 -11.427 -9.227 232 H TRP 29 H TRP 675 8.961 -15.205 -7.966 233 HA TRP 29 HA TRP 675 8.873 -16.789 -10.425 234 HB2 TRP 29 HB2 TRP 675 9.892 -17.187 -7.655 235 HB3 TRP 29 HB3 TRP 675 9.629 -18.587 -8.704 236 HD1 TRP 29 HD1 TRP 675 11.806 -15.496 -8.330 237 HE1 TRP 29 HE1 TRP 675 14.059 -15.851 -9.623 238 HE3 TRP 29 HE3 TRP 675 10.611 -19.764 -10.782 239 HZ2 TRP 29 HZ2 TRP 675 15.125 -17.838 -11.341 240 HZ3 TRP 29 HZ3 TRP 675 12.277 -20.847 -12.321 241 HH2 TRP 29 HH2 TRP 675 14.540 -19.900 -12.576 242 H GLN 30 H GLN 676 7.395 -18.479 -10.844 243 HA GLN 30 HA GLN 676 5.252 -18.850 -8.792 244 HB2 GLN 30 HB2 GLN 676 4.812 -18.314 -11.772 245 HB3 GLN 30 HB3 GLN 676 3.547 -18.697 -10.599 246 HG2 GLN 30 HG2 GLN 676 3.351 -16.426 -10.804 247 HG3 GLN 30 HG3 GLN 676 4.233 -16.753 -9.302 248 HE21 GLN 30 HE21 GLN 676 5.279 -14.740 -9.230 249 HE22 GLN 30 HE22 GLN 676 6.500 -14.307 -10.448 250 H HIS 31 H HIS 677 3.879 -20.714 -9.275 251 HA HIS 31 HA HIS 677 5.381 -22.963 -10.435 252 HB2 HIS 31 HB2 HIS 677 2.390 -22.920 -9.866 253 HB3 HIS 31 HB3 HIS 677 3.486 -24.264 -9.900 254 HD2 HIS 31 HD2 HIS 677 5.611 -23.646 -7.950 255 HE1 HIS 31 HE1 HIS 677 2.797 -22.417 -4.979 256 HE2 HIS 31 HE2 HIS 677 5.163 -23.129 -5.356 257 H GLY 32 H GLY 678 5.538 -23.030 -12.658 258 HA2 GLY 32 HA2 GLY 678 4.051 -21.371 -14.299 259 HA3 GLY 32 HA3 GLY 678 4.785 -22.919 -14.879 260 H VAL 33 H VAL 679 3.082 -24.570 -13.270 261 HA VAL 33 HA VAL 679 0.935 -24.894 -15.163 262 HB VAL 33 HB VAL 679 2.124 -26.649 -14.032 263 HG11 VAL 33 HG11 VAL 679 1.465 -27.380 -11.755 264 HG12 VAL 33 HG12 VAL 679 2.150 -25.744 -11.699 265 HG13 VAL 33 HG13 VAL 679 0.390 -25.978 -11.589 266 HG21 VAL 33 HG21 VAL 679 -0.054 -27.094 -15.132 267 HG22 VAL 33 HG22 VAL 679 0.239 -28.180 -13.761 268 HG23 VAL 33 HG23 VAL 679 -0.894 -26.827 -13.585 269 H CYS 34 H CYS 680 1.166 -22.949 -12.318 270 HA CYS 34 HA CYS 680 -1.714 -22.563 -11.765 271 HB2 CYS 34 HB2 CYS 680 0.789 -21.180 -10.792 272 HB3 CYS 34 HB3 CYS 680 -0.815 -20.798 -10.328 273 H MET 35 H MET 681 0.880 -21.178 -13.662 274 HA MET 35 HA MET 681 -0.497 -18.632 -14.331 275 HB2 MET 35 HB2 MET 681 2.307 -19.688 -14.853 276 HB3 MET 35 HB3 MET 681 1.731 -18.092 -15.215 277 HG2 MET 35 HG2 MET 681 1.693 -19.064 -12.360 278 HG3 MET 35 HG3 MET 681 3.104 -18.325 -13.109 279 HE1 MET 35 HE1 MET 681 -0.743 -17.758 -12.430 280 HE2 MET 35 HE2 MET 681 0.151 -17.436 -10.917 281 HE3 MET 35 HE3 MET 681 -0.658 -16.107 -11.791 282 H GLY 36 H GLY 682 -0.245 -21.773 -15.694 283 HA2 GLY 36 HA2 GLY 682 -1.121 -22.599 -17.654 284 HA3 GLY 36 HA3 GLY 682 -1.348 -20.960 -18.284 285 H LEU 37 H LEU 683 1.696 -22.127 -16.963 286 HA LEU 37 HA LEU 683 2.770 -22.511 -19.690 287 HB2 LEU 37 HB2 LEU 683 4.475 -21.268 -17.612 288 HB3 LEU 37 HB3 LEU 683 4.709 -21.126 -19.316 289 HG LEU 37 HG LEU 683 2.257 -19.681 -18.439 290 HD11 LEU 37 HD11 LEU 683 4.820 -18.459 -17.407 291 HD12 LEU 37 HD12 LEU 683 3.139 -18.003 -17.134 292 HD13 LEU 37 HD13 LEU 683 3.795 -19.457 -16.356 293 HD21 LEU 37 HD21 LEU 683 3.364 -17.905 -19.619 294 HD22 LEU 37 HD22 LEU 683 4.915 -18.811 -19.598 295 HD23 LEU 37 HD23 LEU 683 3.502 -19.416 -20.551 296 H LEU 38 H LEU 684 4.741 -23.809 -19.721 297 HA LEU 38 HA LEU 684 5.255 -25.703 -17.576 298 HB2 LEU 38 HB2 LEU 684 3.933 -26.151 -20.258 299 HB3 LEU 38 HB3 LEU 684 5.317 -27.144 -19.937 300 HG LEU 38 HG LEU 684 3.009 -28.040 -19.373 301 HD11 LEU 38 HD11 LEU 684 5.292 -28.097 -17.355 302 HD12 LEU 38 HD12 LEU 684 4.054 -29.368 -17.554 303 HD13 LEU 38 HD13 LEU 684 5.218 -29.024 -18.864 304 HD21 LEU 38 HD21 LEU 684 2.176 -26.138 -18.056 305 HD22 LEU 38 HD22 LEU 684 2.078 -27.704 -17.221 306 HD23 LEU 38 HD23 LEU 684 3.344 -26.544 -16.772 307 H GLU 39 H GLU 685 7.380 -26.806 -18.102 308 HA GLU 39 HA GLU 685 9.357 -25.054 -19.141 309 HB2 GLU 39 HB2 GLU 685 10.748 -27.119 -19.252 310 HB3 GLU 39 HB3 GLU 685 10.074 -26.825 -17.659 311 HG2 GLU 39 HG2 GLU 685 9.975 -29.128 -17.975 312 HG3 GLU 39 HG3 GLU 685 8.338 -28.507 -17.972 313 H GLU 40 H GLU 686 7.241 -27.241 -20.875 314 HA GLU 40 HA GLU 686 8.681 -27.070 -23.384 315 HB2 GLU 40 HB2 GLU 686 6.504 -27.512 -24.506 316 HB3 GLU 40 HB3 GLU 686 7.087 -28.773 -23.410 317 HG2 GLU 40 HG2 GLU 686 5.447 -28.316 -21.819 318 HG3 GLU 40 HG3 GLU 686 5.056 -26.710 -22.493 319 H ASN 41 H ASN 687 6.282 -24.907 -21.908 320 HA ASN 41 HA ASN 687 6.179 -23.296 -24.414 321 HB2 ASN 41 HB2 ASN 687 4.513 -23.131 -21.921 322 HB3 ASN 41 HB3 ASN 687 4.205 -22.266 -23.359 323 HD21 ASN 41 HD21 ASN 687 1.806 -25.015 -23.210 324 HD22 ASN 41 HD22 ASN 687 2.195 -23.700 -22.152 325 H VAL 42 H VAL 688 8.163 -23.042 -21.737 326 HA VAL 42 HA VAL 688 7.778 -20.528 -20.609 327 HB VAL 42 HB VAL 688 10.438 -21.825 -21.181 328 HG11 VAL 42 HG11 VAL 688 10.763 -19.372 -20.781 329 HG12 VAL 42 HG12 VAL 688 9.826 -19.524 -19.283 330 HG13 VAL 42 HG13 VAL 688 11.391 -20.364 -19.501 331 HG21 VAL 42 HG21 VAL 688 8.919 -21.688 -18.620 332 HG22 VAL 42 HG22 VAL 688 8.772 -23.019 -19.777 333 HG23 VAL 42 HG23 VAL 688 10.339 -22.703 -19.094 334 HA PRO 43 HA PRO 689 8.569 -18.002 -24.269 335 HB2 PRO 43 HB2 PRO 689 7.278 -15.744 -23.420 336 HB3 PRO 43 HB3 PRO 689 6.365 -17.193 -23.921 337 HG2 PRO 43 HG2 PRO 689 7.093 -16.286 -21.157 338 HG3 PRO 43 HG3 PRO 689 5.494 -16.818 -21.751 339 HD2 PRO 43 HD2 PRO 689 7.238 -18.525 -20.431 340 HD3 PRO 43 HD3 PRO 689 6.179 -19.103 -21.672 341 H GLU 44 H GLU 690 9.550 -15.804 -24.586 342 HA GLU 44 HA GLU 690 11.975 -15.611 -22.899 343 HB2 GLU 44 HB2 GLU 690 11.062 -14.411 -25.502 344 HB3 GLU 44 HB3 GLU 690 12.189 -13.458 -24.554 345 HG2 GLU 44 HG2 GLU 690 12.805 -16.357 -25.272 346 HG3 GLU 44 HG3 GLU 690 13.132 -15.011 -26.353 347 H LYS 45 H LYS 691 8.914 -13.902 -23.409 348 HA LYS 45 HA LYS 691 9.419 -12.435 -20.881 349 HB2 LYS 45 HB2 LYS 691 8.195 -11.370 -23.451 350 HB3 LYS 45 HB3 LYS 691 8.005 -10.659 -21.888 351 HG2 LYS 45 HG2 LYS 691 10.513 -10.397 -21.699 352 HG3 LYS 45 HG3 LYS 691 10.655 -10.929 -23.383 353 HD2 LYS 45 HD2 LYS 691 9.207 -9.066 -24.124 354 HD3 LYS 45 HD3 LYS 691 8.996 -8.537 -22.458 355 HE2 LYS 45 HE2 LYS 691 11.580 -8.462 -24.084 356 HE3 LYS 45 HE3 LYS 691 10.572 -7.106 -23.599 357 HZ1 LYS 45 HZ1 LYS 691 11.052 -7.873 -21.206 358 HZ2 LYS 45 HZ2 LYS 691 12.269 -8.763 -21.835 359 HZ3 LYS 45 HZ3 LYS 691 12.290 -7.142 -22.025 360 H TYR 46 H TYR 692 8.389 -14.224 -19.961 361 HA TYR 46 HA TYR 692 5.415 -14.060 -20.107 362 HB2 TYR 46 HB2 TYR 692 5.789 -16.226 -19.403 363 HB3 TYR 46 HB3 TYR 692 7.349 -15.888 -18.718 364 HD1 TYR 46 HD1 TYR 692 3.682 -15.606 -18.116 365 HD2 TYR 46 HD2 TYR 692 7.659 -15.571 -16.472 366 HE1 TYR 46 HE1 TYR 692 2.732 -15.439 -15.776 367 HE2 TYR 46 HE2 TYR 692 6.718 -15.555 -14.165 368 HH TYR 46 HH TYR 692 4.843 -15.688 -12.967 369 H THR 47 H THR 693 4.276 -12.623 -19.173 370 HA THR 47 HA THR 693 5.266 -10.958 -16.922 371 HB THR 47 HB THR 693 2.955 -9.927 -17.363 372 HG1 THR 47 HG1 THR 693 2.424 -10.047 -19.652 373 HG21 THR 47 HG21 THR 693 5.177 -9.463 -19.353 374 HG22 THR 47 HG22 THR 693 3.837 -8.346 -18.948 375 HG23 THR 47 HG23 THR 693 5.051 -8.754 -17.722 376 H CYS 48 H CYS 694 4.453 -11.201 -14.924 377 HA CYS 48 HA CYS 694 2.619 -13.418 -14.342 378 HB2 CYS 48 HB2 CYS 694 3.494 -13.224 -12.163 379 HB3 CYS 48 HB3 CYS 694 4.845 -12.712 -13.051 380 H TYR 49 H TYR 695 0.548 -13.251 -13.395 381 HA TYR 49 HA TYR 695 -1.270 -11.302 -13.666 382 HB2 TYR 49 HB2 TYR 695 -2.380 -12.247 -11.966 383 HB3 TYR 49 HB3 TYR 695 -1.437 -13.567 -12.628 384 HD1 TYR 49 HD1 TYR 695 0.992 -13.928 -11.423 385 HD2 TYR 49 HD2 TYR 695 -2.466 -12.055 -9.618 386 HE1 TYR 49 HE1 TYR 695 1.931 -14.335 -9.185 387 HE2 TYR 49 HE2 TYR 695 -1.498 -12.465 -7.360 388 HH TYR 49 HH TYR 695 0.315 -13.233 -6.168 389 H VAL 50 H VAL 696 1.108 -11.063 -10.935 390 HA VAL 50 HA VAL 696 0.042 -8.683 -9.824 391 HB VAL 50 HB VAL 696 2.548 -10.242 -9.557 392 HG11 VAL 50 HG11 VAL 696 2.533 -7.360 -8.644 393 HG12 VAL 50 HG12 VAL 696 3.706 -8.615 -8.186 394 HG13 VAL 50 HG13 VAL 696 3.611 -8.093 -9.869 395 HG21 VAL 50 HG21 VAL 696 0.856 -8.889 -7.463 396 HG22 VAL 50 HG22 VAL 696 0.554 -10.508 -8.121 397 HG23 VAL 50 HG23 VAL 696 2.055 -10.195 -7.251 398 H CYS 51 H CYS 697 2.093 -9.101 -12.656 399 HA CYS 51 HA CYS 697 2.199 -6.210 -13.178 400 HB2 CYS 51 HB2 CYS 697 3.543 -8.495 -14.604 401 HB3 CYS 51 HB3 CYS 697 3.740 -6.794 -14.959 402 H GLN 52 H GLN 698 1.316 -9.262 -15.114 403 HA GLN 52 HA GLN 698 -0.043 -7.560 -17.033 404 HB2 GLN 52 HB2 GLN 698 -0.835 -9.690 -17.958 405 HB3 GLN 52 HB3 GLN 698 0.898 -9.521 -17.980 406 HG2 GLN 52 HG2 GLN 698 1.149 -11.231 -16.512 407 HG3 GLN 52 HG3 GLN 698 -0.331 -10.999 -15.696 408 HE21 GLN 52 HE21 GLN 698 1.113 -13.111 -17.876 409 HE22 GLN 52 HE22 GLN 698 -0.375 -13.816 -18.510 410 H ASP 53 H ASP 699 -1.223 -9.568 -14.389 411 HA ASP 53 HA ASP 699 -3.244 -9.947 -13.434 412 HB2 ASP 53 HB2 ASP 699 -3.455 -7.536 -13.002 413 HB3 ASP 53 HB3 ASP 699 -4.027 -7.293 -14.637 414 H1 ALA 1 H1 ALA 1 13.301 -15.166 -19.580 415 H2 ALA 1 H2 ALA 1 11.842 -14.657 -20.112 416 H3 ALA 1 H3 ALA 1 12.286 -16.225 -20.310 417 HA ALA 1 HA ALA 1 11.696 -14.886 -17.726 418 HB1 ALA 1 HB1 ALA 1 9.823 -16.489 -17.538 419 HB2 ALA 1 HB2 ALA 1 9.640 -15.497 -18.984 420 HB3 ALA 1 HB3 ALA 1 10.182 -17.185 -19.102 421 H ARG 2 H ARG 2 13.197 -15.724 -16.149 422 HA ARG 2 HA ARG 2 14.914 -17.976 -16.585 423 HB2 ARG 2 HB2 ARG 2 14.797 -15.919 -14.788 424 HB3 ARG 2 HB3 ARG 2 14.262 -17.250 -13.749 425 HG2 ARG 2 HG2 ARG 2 16.276 -18.431 -14.016 426 HG3 ARG 2 HG3 ARG 2 16.876 -17.266 -15.223 427 HD2 ARG 2 HD2 ARG 2 16.924 -15.480 -13.573 428 HD3 ARG 2 HD3 ARG 2 16.122 -16.445 -12.354 429 HE ARG 2 HE ARG 2 18.743 -17.342 -13.521 430 HH11 ARG 2 HH11 ARG 2 17.127 -16.242 -10.536 431 HH12 ARG 2 HH12 ARG 2 18.504 -16.738 -9.595 432 HH21 ARG 2 HH21 ARG 2 20.392 -17.884 -12.206 433 HH22 ARG 2 HH22 ARG 2 20.282 -17.616 -10.494 434 H THR 3 H THR 3 14.896 -20.118 -15.660 435 HA THR 3 HA THR 3 12.411 -21.053 -14.347 436 HB THR 3 HB THR 3 12.487 -23.108 -15.923 437 HG1 THR 3 HG1 THR 3 14.183 -22.502 -17.277 438 HG21 THR 3 HG21 THR 3 10.689 -22.131 -17.158 439 HG22 THR 3 HG22 THR 3 10.607 -21.497 -15.565 440 HG23 THR 3 HG23 THR 3 11.278 -20.481 -16.858 441 H MLY 4 H MLY 4 12.431 -23.029 -13.359 442 HA MLY 4 HA MLY 4 14.992 -24.367 -12.835 443 HB2 MLY 4 HB2 MLY 4 14.945 -23.899 -10.450 444 HB3 MLY 4 HB3 MLY 4 14.780 -22.346 -11.281 445 HG2 MLY 4 HG2 MLY 4 12.247 -22.716 -11.038 446 HG3 MLY 4 HG3 MLY 4 12.643 -23.956 -9.853 447 HD2 MLY 4 HD2 MLY 4 13.727 -21.105 -9.653 448 HD3 MLY 4 HD3 MLY 4 12.129 -21.528 -9.049 449 HE2 MLY 4 HE2 MLY 4 13.201 -23.303 -7.581 450 HE3 MLY 4 HE3 MLY 4 14.770 -22.743 -8.122 451 HH11 MLY 4 HH11 MLY 4 15.545 -20.464 -7.515 452 HH12 MLY 4 HH12 MLY 4 14.065 -19.596 -7.957 453 HH13 MLY 4 HH13 MLY 4 14.664 -19.538 -6.295 454 HH21 MLY 4 HH21 MLY 4 12.417 -20.416 -5.461 455 HH22 MLY 4 HH22 MLY 4 11.878 -20.371 -7.143 456 HH23 MLY 4 HH23 MLY 4 11.751 -21.865 -6.205 457 HZ MLY 4 HZ MLY 4 14.206 -21.837 -6.014 458 H GLN 5 H GLN 5 14.696 -26.311 -11.501 459 HA GLN 5 HA GLN 5 11.926 -27.349 -11.370 460 HB2 GLN 5 HB2 GLN 5 14.274 -28.845 -12.593 461 HB3 GLN 5 HB3 GLN 5 12.724 -29.574 -12.156 462 HG2 GLN 5 HG2 GLN 5 11.557 -28.077 -13.758 463 HG3 GLN 5 HG3 GLN 5 13.107 -27.365 -14.222 464 HE21 GLN 5 HE21 GLN 5 12.127 -28.163 -16.405 465 HE22 GLN 5 HE22 GLN 5 12.596 -29.796 -16.870 466 H THR 6 H THR 6 11.461 -28.416 -9.545 467 HA THR 6 HA THR 6 13.527 -28.439 -7.427 468 HB THR 6 HB THR 6 10.573 -29.104 -7.204 469 HG1 THR 6 HG1 THR 6 10.350 -27.056 -7.348 470 HG21 THR 6 HG21 THR 6 10.986 -28.557 -4.790 471 HG22 THR 6 HG22 THR 6 11.821 -30.014 -5.319 472 HG23 THR 6 HG23 THR 6 12.727 -28.493 -5.129 473 H ALA 7 H ALA 7 14.758 -30.187 -7.028 474 HA ALA 7 HA ALA 7 14.078 -32.870 -7.920 475 HB1 ALA 7 HB1 ALA 7 16.186 -33.477 -6.803 476 HB2 ALA 7 HB2 ALA 7 16.398 -32.042 -7.820 477 HB3 ALA 7 HB3 ALA 7 16.273 -31.871 -6.050 478 H ARG 8 H ARG 8 13.626 -34.688 -6.618 479 HA ARG 8 HA ARG 8 12.492 -34.190 -3.881 480 HB2 ARG 8 HB2 ARG 8 11.316 -35.981 -6.052 481 HB3 ARG 8 HB3 ARG 8 10.666 -35.762 -4.432 482 HG2 ARG 8 HG2 ARG 8 10.817 -33.613 -6.586 483 HG3 ARG 8 HG3 ARG 8 9.386 -34.521 -6.124 484 HD2 ARG 8 HD2 ARG 8 9.431 -33.529 -3.871 485 HD3 ARG 8 HD3 ARG 8 10.908 -32.635 -4.285 486 HE ARG 8 HE ARG 8 8.790 -32.113 -6.197 487 HH11 ARG 8 HH11 ARG 8 9.791 -31.061 -2.971 488 HH12 ARG 8 HH12 ARG 8 8.975 -29.534 -3.173 489 HH21 ARG 8 HH21 ARG 8 7.858 -30.309 -6.349 490 HH22 ARG 8 HH22 ARG 8 7.888 -29.072 -5.054 491 H LYS 9 H LYS 9 12.258 -36.083 -2.563 492 HA LYS 9 HA LYS 9 13.218 -37.728 -1.311 493 HB2 LYS 9 HB2 LYS 9 13.566 -39.091 -4.005 494 HB3 LYS 9 HB3 LYS 9 13.593 -39.876 -2.421 495 HG2 LYS 9 HG2 LYS 9 11.256 -39.122 -2.006 496 HG3 LYS 9 HG3 LYS 9 11.208 -38.420 -3.636 497 HD2 LYS 9 HD2 LYS 9 11.642 -40.659 -4.616 498 HD3 LYS 9 HD3 LYS 9 11.690 -41.363 -2.982 499 HE2 LYS 9 HE2 LYS 9 9.349 -40.608 -2.599 500 HE3 LYS 9 HE3 LYS 9 9.306 -39.915 -4.226 501 HZ1 LYS 9 HZ1 LYS 9 9.635 -42.171 -5.119 502 HZ2 LYS 9 HZ2 LYS 9 9.664 -42.808 -3.615 503 HZ3 LYS 9 HZ3 LYS 9 8.300 -42.128 -4.188 504 H SER 10 H SER 10 14.990 -35.626 -1.848 505 HA SER 10 HA SER 10 17.666 -36.619 -2.400 506 HB2 SER 10 HB2 SER 10 16.927 -34.255 -2.734 507 HB3 SER 10 HB3 SER 10 16.831 -34.074 -0.970 508 HG SER 10 HG SER 10 18.852 -33.357 -1.839 509 H THR 11 H THR 11 19.431 -36.726 -0.896 510 HA THR 11 HA THR 11 18.869 -38.309 1.457 511 HB THR 11 HB THR 11 21.342 -38.216 1.796 512 HG1 THR 11 HG1 THR 11 21.603 -36.162 0.739 513 HG21 THR 11 HG21 THR 11 21.900 -39.590 -0.145 514 HG22 THR 11 HG22 THR 11 20.283 -40.005 0.443 515 HG23 THR 11 HG23 THR 11 20.464 -39.007 -1.016 516 HN1 NH2 12 H01 THR 11 20.250 -35.023 1.169 517 HN2 NH2 12 H02 THR 11 19.951 -34.636 2.848 Start of MODEL 5 1 H1 GLY -3 H1 GLY -3 12.080 0.213 5.807 2 H2 GLY -3 H2 GLY -3 13.157 -1.002 6.014 3 H3 GLY -3 H3 GLY -3 13.357 0.072 4.795 4 HA2 GLY -3 HA2 GLY -3 11.122 -1.855 5.027 5 HA3 GLY -3 HA3 GLY -3 11.322 -0.689 3.711 6 H HIS -2 H HIS -2 11.317 -3.766 3.901 7 HA HIS -2 HA HIS -2 13.978 -4.716 3.313 8 HB2 HIS -2 HB2 HIS -2 12.826 -6.832 2.905 9 HB3 HIS -2 HB3 HIS -2 12.216 -6.069 4.367 10 HD2 HIS -2 HD2 HIS -2 11.074 -7.465 1.062 11 HE1 HIS -2 HE1 HIS -2 7.665 -5.424 2.620 12 HE2 HIS -2 HE2 HIS -2 8.487 -7.029 0.820 13 H MET -1 H MET -1 11.508 -3.383 1.237 14 HA MET -1 HA MET -1 12.037 -4.744 -1.194 15 HB2 MET -1 HB2 MET -1 11.084 -2.580 -2.211 16 HB3 MET -1 HB3 MET -1 10.036 -3.537 -1.164 17 HG2 MET -1 HG2 MET -1 11.582 -1.065 -0.261 18 HG3 MET -1 HG3 MET -1 9.983 -0.999 -0.971 19 HE1 MET -1 HE1 MET -1 7.628 -2.512 1.718 20 HE2 MET -1 HE2 MET -1 7.766 -1.742 0.127 21 HE3 MET -1 HE3 MET -1 8.324 -3.418 0.360 22 H ASP 0 H ASP 646 13.754 -1.938 0.104 23 HA ASP 0 HA ASP 646 15.259 -0.488 -0.825 24 HB2 ASP 0 HB2 ASP 646 16.227 -3.117 -2.022 25 HB3 ASP 0 HB3 ASP 646 17.058 -1.608 -2.305 26 H ARG 1 H ARG 647 12.839 -1.102 -2.356 27 HA ARG 1 HA ARG 647 11.672 -0.686 -4.340 28 HB2 ARG 1 HB2 ARG 647 11.931 1.354 -5.287 29 HB3 ARG 1 HB3 ARG 647 12.626 1.531 -3.689 30 HG2 ARG 1 HG2 ARG 647 14.726 0.797 -5.585 31 HG3 ARG 1 HG3 ARG 647 13.759 2.075 -6.303 32 HD2 ARG 1 HD2 ARG 647 14.070 3.485 -4.332 33 HD3 ARG 1 HD3 ARG 647 14.957 2.213 -3.508 34 HE ARG 1 HE ARG 647 15.889 3.974 -5.698 35 HH11 ARG 1 HH11 ARG 647 16.740 1.175 -3.754 36 HH12 ARG 1 HH12 ARG 647 18.452 1.413 -4.013 37 HH21 ARG 1 HH21 ARG 647 18.060 4.165 -6.051 38 HH22 ARG 1 HH22 ARG 647 19.171 3.040 -5.333 39 H TYR 2 H TYR 648 14.202 -2.504 -4.329 40 HA TYR 2 HA TYR 648 14.854 -2.740 -7.173 41 HB2 TYR 2 HB2 TYR 648 15.756 -3.874 -4.549 42 HB3 TYR 2 HB3 TYR 648 16.062 -4.834 -5.992 43 HD1 TYR 2 HD1 TYR 648 16.169 -1.067 -5.867 44 HD2 TYR 2 HD2 TYR 648 18.449 -4.728 -5.984 45 HE1 TYR 2 HE1 TYR 648 18.193 0.234 -6.301 46 HE2 TYR 2 HE2 TYR 648 20.515 -3.407 -6.430 47 HH TYR 2 HH TYR 648 20.474 0.167 -6.778 48 H ASP 3 H ASP 649 14.727 -4.626 -8.391 49 HA ASP 3 HA ASP 649 12.429 -6.436 -7.852 50 HB2 ASP 3 HB2 ASP 649 14.153 -6.134 -10.331 51 HB3 ASP 3 HB3 ASP 649 12.730 -7.159 -10.161 52 H PHE 4 H PHE 650 12.922 -8.139 -6.626 53 HA PHE 4 HA PHE 650 15.487 -9.623 -6.968 54 HB2 PHE 4 HB2 PHE 650 13.648 -9.264 -4.559 55 HB3 PHE 4 HB3 PHE 650 15.017 -10.335 -4.612 56 HD1 PHE 4 HD1 PHE 650 14.011 -7.263 -3.392 57 HD2 PHE 4 HD2 PHE 650 17.315 -9.061 -5.518 58 HE1 PHE 4 HE1 PHE 650 15.535 -5.518 -2.514 59 HE2 PHE 4 HE2 PHE 650 18.823 -7.286 -4.658 60 HZ PHE 4 HZ PHE 650 17.942 -5.526 -3.137 61 H GLU 5 H GLU 651 15.404 -11.910 -6.503 62 HA GLU 5 HA GLU 651 13.250 -13.408 -7.742 63 HB2 GLU 5 HB2 GLU 651 14.488 -15.329 -6.331 64 HB3 GLU 5 HB3 GLU 651 15.208 -14.754 -7.814 65 HG2 GLU 5 HG2 GLU 651 16.765 -13.336 -6.518 66 HG3 GLU 5 HG3 GLU 651 15.953 -13.790 -5.013 67 H VAL 6 H VAL 652 11.379 -13.355 -6.976 68 HA VAL 6 HA VAL 652 10.886 -13.989 -4.121 69 HB VAL 6 HB VAL 652 9.822 -11.719 -5.832 70 HG11 VAL 6 HG11 VAL 652 8.353 -11.069 -3.897 71 HG12 VAL 6 HG12 VAL 652 7.861 -12.595 -4.626 72 HG13 VAL 6 HG13 VAL 652 8.769 -12.599 -3.092 73 HG21 VAL 6 HG21 VAL 652 10.549 -10.248 -4.001 74 HG22 VAL 6 HG22 VAL 652 11.145 -11.656 -3.087 75 HG23 VAL 6 HG23 VAL 652 11.893 -11.191 -4.627 76 H VAL 7 H VAL 653 9.861 -15.887 -4.078 77 HA VAL 7 HA VAL 653 8.319 -16.743 -6.402 78 HB VAL 7 HB VAL 653 8.599 -17.993 -3.628 79 HG11 VAL 7 HG11 VAL 653 7.253 -19.060 -6.136 80 HG12 VAL 7 HG12 VAL 653 7.649 -20.018 -4.678 81 HG13 VAL 7 HG13 VAL 653 6.430 -18.737 -4.615 82 HG21 VAL 7 HG21 VAL 653 9.615 -18.916 -6.353 83 HG22 VAL 7 HG22 VAL 653 10.617 -18.028 -5.193 84 HG23 VAL 7 HG23 VAL 653 9.965 -19.649 -4.786 85 H ARG 8 H ARG 654 6.619 -15.468 -6.778 86 HA ARG 8 HA ARG 654 4.399 -15.244 -4.750 87 HB2 ARG 8 HB2 ARG 654 5.875 -13.095 -6.193 88 HB3 ARG 8 HB3 ARG 654 4.127 -13.026 -6.422 89 HG2 ARG 8 HG2 ARG 654 3.820 -12.982 -3.975 90 HG3 ARG 8 HG3 ARG 654 5.539 -13.225 -3.732 91 HD2 ARG 8 HD2 ARG 654 6.025 -10.949 -4.487 92 HD3 ARG 8 HD3 ARG 654 4.688 -10.996 -5.612 93 HE ARG 8 HE ARG 654 3.379 -9.904 -4.038 94 HH11 ARG 8 HH11 ARG 654 5.897 -11.490 -2.141 95 HH12 ARG 8 HH12 ARG 654 5.307 -10.792 -0.662 96 HH21 ARG 8 HH21 ARG 654 2.722 -9.070 -2.137 97 HH22 ARG 8 HH22 ARG 654 3.563 -9.451 -0.664 98 H CYS 9 H CYS 655 3.496 -16.981 -5.490 99 HA CYS 9 HA CYS 655 2.295 -16.971 -8.247 100 HB2 CYS 9 HB2 CYS 655 3.325 -19.073 -7.363 101 HB3 CYS 9 HB3 CYS 655 2.189 -19.056 -6.064 102 H ILE 10 H ILE 656 0.019 -17.117 -8.554 103 HA ILE 10 HA ILE 656 -1.763 -15.609 -7.011 104 HB ILE 10 HB ILE 656 -3.587 -16.967 -8.096 105 HG12 ILE 10 HG12 ILE 656 -2.989 -18.365 -10.042 106 HG13 ILE 10 HG13 ILE 656 -1.314 -18.451 -9.507 107 HG21 ILE 10 HG21 ILE 656 -2.745 -14.943 -9.017 108 HG22 ILE 10 HG22 ILE 656 -1.341 -15.764 -9.714 109 HG23 ILE 10 HG23 ILE 656 -2.980 -16.075 -10.359 110 HD11 ILE 10 HD11 ILE 656 -2.924 -20.430 -9.095 111 HD12 ILE 10 HD12 ILE 656 -1.901 -19.941 -7.758 112 HD13 ILE 10 HD13 ILE 656 -3.622 -19.456 -7.794 113 H CYS 11 H CYS 657 -0.441 -18.546 -6.269 114 HA CYS 11 HA CYS 657 -2.509 -19.791 -4.662 115 HB2 CYS 11 HB2 CYS 657 0.386 -20.168 -5.380 116 HB3 CYS 11 HB3 CYS 657 -0.230 -21.017 -3.885 117 H GLU 12 H GLU 658 -0.388 -17.074 -4.202 118 HA GLU 12 HA GLU 658 0.659 -16.025 -2.566 119 HB2 GLU 12 HB2 GLU 658 -2.019 -16.639 -1.253 120 HB3 GLU 12 HB3 GLU 658 -0.859 -15.466 -0.590 121 HG2 GLU 12 HG2 GLU 658 -0.995 -14.128 -2.650 122 HG3 GLU 12 HG3 GLU 658 -2.107 -15.301 -3.363 123 H VAL 13 H VAL 659 1.579 -18.395 -2.834 124 HA VAL 13 HA VAL 659 2.645 -19.050 -0.169 125 HB VAL 13 HB VAL 659 0.913 -20.711 -1.199 126 HG11 VAL 13 HG11 VAL 659 1.781 -22.463 -2.600 127 HG12 VAL 13 HG12 VAL 659 1.940 -20.901 -3.426 128 HG13 VAL 13 HG13 VAL 659 3.358 -21.657 -2.712 129 HG21 VAL 13 HG21 VAL 659 2.147 -21.173 0.842 130 HG22 VAL 13 HG22 VAL 659 2.154 -22.623 -0.169 131 HG23 VAL 13 HG23 VAL 659 3.603 -21.596 -0.070 132 H GLN 14 H GLN 660 4.772 -19.030 -0.104 133 HA GLN 14 HA GLN 660 6.390 -18.627 -2.528 134 HB2 GLN 14 HB2 GLN 660 7.103 -18.745 0.393 135 HB3 GLN 14 HB3 GLN 660 8.298 -18.616 -0.897 136 HG2 GLN 14 HG2 GLN 660 7.793 -16.448 0.152 137 HG3 GLN 14 HG3 GLN 660 7.455 -16.458 -1.563 138 HE21 GLN 14 HE21 GLN 660 5.253 -16.101 -2.258 139 HE22 GLN 14 HE22 GLN 660 3.987 -15.708 -1.078 140 H GLU 15 H GLU 661 5.029 -21.362 -1.700 141 HA GLU 15 HA GLU 661 7.045 -23.328 -1.233 142 HB2 GLU 15 HB2 GLU 661 4.678 -23.627 -0.578 143 HB3 GLU 15 HB3 GLU 661 4.218 -23.629 -2.285 144 HG2 GLU 15 HG2 GLU 661 4.232 -25.875 -1.379 145 HG3 GLU 15 HG3 GLU 661 5.408 -25.705 -2.668 146 H GLU 16 H GLU 662 7.566 -25.038 -2.796 147 HA GLU 16 HA GLU 662 7.721 -24.091 -5.503 148 HB2 GLU 16 HB2 GLU 662 9.832 -25.898 -4.951 149 HB3 GLU 16 HB3 GLU 662 9.707 -24.559 -6.010 150 HG2 GLU 16 HG2 GLU 662 11.146 -23.560 -4.741 151 HG3 GLU 16 HG3 GLU 662 9.744 -23.010 -3.900 152 H ASN 17 H ASN 663 6.598 -25.117 -6.437 153 HA ASN 17 HA ASN 663 5.729 -27.897 -6.345 154 HB2 ASN 17 HB2 ASN 663 5.348 -25.737 -8.444 155 HB3 ASN 17 HB3 ASN 663 4.909 -27.392 -8.769 156 HD21 ASN 17 HD21 ASN 663 1.740 -26.135 -7.872 157 HD22 ASN 17 HD22 ASN 663 2.792 -26.382 -9.220 158 H ASP 18 H ASP 664 5.993 -29.222 -8.460 159 HA ASP 18 HA ASP 664 8.692 -29.965 -8.969 160 HB2 ASP 18 HB2 ASP 664 6.687 -31.394 -9.317 161 HB3 ASP 18 HB3 ASP 664 6.207 -30.381 -10.678 162 H PHE 19 H PHE 665 6.815 -27.383 -10.459 163 HA PHE 19 HA PHE 665 9.142 -26.649 -12.075 164 HB2 PHE 19 HB2 PHE 665 7.593 -27.720 -13.717 165 HB3 PHE 19 HB3 PHE 665 6.271 -26.764 -13.093 166 HD1 PHE 19 HD1 PHE 665 5.609 -25.355 -14.834 167 HD2 PHE 19 HD2 PHE 665 9.807 -25.963 -14.049 168 HE1 PHE 19 HE1 PHE 665 6.202 -23.741 -16.614 169 HE2 PHE 19 HE2 PHE 665 10.405 -24.278 -15.705 170 HZ PHE 19 HZ PHE 665 8.573 -23.270 -17.107 171 H MET 20 H MET 666 9.660 -24.454 -12.127 172 HA MET 20 HA MET 666 7.613 -22.518 -11.449 173 HB2 MET 20 HB2 MET 666 10.338 -22.219 -10.223 174 HB3 MET 20 HB3 MET 666 9.018 -21.186 -9.899 175 HG2 MET 20 HG2 MET 666 7.950 -23.491 -9.082 176 HG3 MET 20 HG3 MET 666 9.619 -24.036 -9.033 177 HE1 MET 20 HE1 MET 666 7.827 -20.497 -7.640 178 HE2 MET 20 HE2 MET 666 6.924 -22.005 -7.774 179 HE3 MET 20 HE3 MET 666 7.430 -21.470 -6.171 180 H ILE 21 H ILE 667 8.000 -20.362 -12.204 181 HA ILE 21 HA ILE 667 10.152 -19.999 -14.225 182 HB ILE 21 HB ILE 667 7.377 -18.901 -14.639 183 HG12 ILE 21 HG12 ILE 667 8.265 -21.199 -16.378 184 HG13 ILE 21 HG13 ILE 667 7.701 -21.606 -14.759 185 HG21 ILE 21 HG21 ILE 667 7.840 -18.684 -17.087 186 HG22 ILE 21 HG22 ILE 667 9.082 -17.843 -16.149 187 HG23 ILE 21 HG23 ILE 667 9.410 -19.405 -16.923 188 HD11 ILE 21 HD11 ILE 667 5.868 -21.655 -16.139 189 HD12 ILE 21 HD12 ILE 667 5.702 -20.218 -15.085 190 HD13 ILE 21 HD13 ILE 667 6.204 -20.058 -16.799 191 H GLN 22 H GLN 668 10.596 -17.687 -14.687 192 HA GLN 22 HA GLN 668 9.890 -15.932 -12.338 193 HB2 GLN 22 HB2 GLN 668 12.290 -16.356 -12.399 194 HB3 GLN 22 HB3 GLN 668 12.289 -16.082 -14.167 195 HG2 GLN 22 HG2 GLN 668 12.084 -13.689 -13.928 196 HG3 GLN 22 HG3 GLN 668 11.490 -13.917 -12.301 197 HE21 GLN 22 HE21 GLN 668 13.124 -13.649 -10.570 198 HE22 GLN 22 HE22 GLN 668 14.831 -13.614 -11.015 199 H CYS 23 H CYS 669 8.928 -14.004 -12.629 200 HA CYS 23 HA CYS 669 7.826 -13.193 -15.184 201 HB2 CYS 23 HB2 CYS 669 6.846 -12.690 -12.944 202 HB3 CYS 23 HB3 CYS 669 8.268 -11.746 -12.540 203 H GLU 24 H GLU 670 8.634 -11.936 -16.710 204 HA GLU 24 HA GLU 670 11.441 -11.128 -16.574 205 HB2 GLU 24 HB2 GLU 670 11.099 -10.393 -18.800 206 HB3 GLU 24 HB3 GLU 670 10.310 -11.950 -18.636 207 HG2 GLU 24 HG2 GLU 670 8.426 -10.891 -19.537 208 HG3 GLU 24 HG3 GLU 670 8.256 -10.290 -17.936 209 H GLU 25 H GLU 671 8.528 -9.553 -15.578 210 HA GLU 25 HA GLU 671 9.599 -6.830 -15.971 211 HB2 GLU 25 HB2 GLU 671 7.286 -7.457 -16.450 212 HB3 GLU 25 HB3 GLU 671 7.017 -7.788 -14.795 213 HG2 GLU 25 HG2 GLU 671 6.112 -5.588 -15.631 214 HG3 GLU 25 HG3 GLU 671 7.013 -5.564 -14.132 215 H CYS 26 H CYS 672 8.335 -8.617 -13.147 216 HA CYS 26 HA CYS 672 9.945 -6.879 -11.430 217 HB2 CYS 26 HB2 CYS 672 8.470 -7.352 -9.743 218 HB3 CYS 26 HB3 CYS 672 7.514 -6.827 -11.141 219 H GLN 27 H GLN 673 10.382 -9.895 -12.620 220 HA GLN 27 HA GLN 673 11.763 -11.504 -12.193 221 HB2 GLN 27 HB2 GLN 673 12.733 -9.443 -10.386 222 HB3 GLN 27 HB3 GLN 673 12.973 -10.927 -9.657 223 HG2 GLN 27 HG2 GLN 673 14.874 -11.267 -10.759 224 HG3 GLN 27 HG3 GLN 673 14.049 -11.356 -12.286 225 HE21 GLN 27 HE21 GLN 673 13.317 -9.164 -13.303 226 HE22 GLN 27 HE22 GLN 673 14.575 -7.955 -13.298 227 H CYS 28 H CYS 674 9.109 -11.172 -10.309 228 HA CYS 28 HA CYS 674 9.728 -13.073 -8.286 229 HB2 CYS 28 HB2 CYS 674 7.257 -13.102 -7.982 230 HB3 CYS 28 HB3 CYS 674 7.997 -11.433 -8.096 231 HG CYS 28 HG CYS 674 5.656 -11.391 -9.275 232 H TRP 29 H TRP 675 9.007 -15.202 -7.964 233 HA TRP 29 HA TRP 675 8.942 -16.790 -10.428 234 HB2 TRP 29 HB2 TRP 675 9.972 -17.162 -7.655 235 HB3 TRP 29 HB3 TRP 675 9.696 -18.574 -8.686 236 HD1 TRP 29 HD1 TRP 675 11.951 -15.517 -8.326 237 HE1 TRP 29 HE1 TRP 675 14.114 -15.859 -9.693 238 HE3 TRP 29 HE3 TRP 675 10.652 -19.768 -10.799 239 HZ2 TRP 29 HZ2 TRP 675 15.143 -17.813 -11.467 240 HZ3 TRP 29 HZ3 TRP 675 12.295 -20.830 -12.397 241 HH2 TRP 29 HH2 TRP 675 14.538 -19.866 -12.704 242 H GLN 30 H GLN 676 7.430 -18.459 -10.856 243 HA GLN 30 HA GLN 676 5.289 -18.812 -8.794 244 HB2 GLN 30 HB2 GLN 676 4.852 -18.282 -11.781 245 HB3 GLN 30 HB3 GLN 676 3.593 -18.652 -10.598 246 HG2 GLN 30 HG2 GLN 676 3.409 -16.384 -10.812 247 HG3 GLN 30 HG3 GLN 676 4.279 -16.726 -9.308 248 HE21 GLN 30 HE21 GLN 676 5.322 -14.718 -9.228 249 HE22 GLN 30 HE22 GLN 676 6.539 -14.269 -10.442 250 H HIS 31 H HIS 677 3.890 -20.661 -9.275 251 HA HIS 31 HA HIS 677 5.377 -22.908 -10.446 252 HB2 HIS 31 HB2 HIS 677 2.386 -22.863 -9.875 253 HB3 HIS 31 HB3 HIS 677 3.481 -24.221 -9.922 254 HD2 HIS 31 HD2 HIS 677 5.617 -23.600 -7.995 255 HE1 HIS 31 HE1 HIS 677 2.820 -22.379 -4.998 256 HE2 HIS 31 HE2 HIS 677 5.189 -23.086 -5.395 257 H GLY 32 H GLY 678 5.546 -23.006 -12.653 258 HA2 GLY 32 HA2 GLY 678 4.080 -21.364 -14.318 259 HA3 GLY 32 HA3 GLY 678 4.797 -22.928 -14.868 260 H VAL 33 H VAL 679 3.059 -24.531 -13.213 261 HA VAL 33 HA VAL 679 0.963 -24.857 -15.155 262 HB VAL 33 HB VAL 679 2.086 -26.620 -13.986 263 HG11 VAL 33 HG11 VAL 679 1.410 -27.319 -11.707 264 HG12 VAL 33 HG12 VAL 679 2.120 -25.700 -11.667 265 HG13 VAL 33 HG13 VAL 679 0.363 -25.895 -11.556 266 HG21 VAL 33 HG21 VAL 679 -0.928 -26.738 -13.549 267 HG22 VAL 33 HG22 VAL 679 -0.091 -27.041 -15.090 268 HG23 VAL 33 HG23 VAL 679 0.179 -28.115 -13.702 269 H CYS 34 H CYS 680 1.165 -22.891 -12.331 270 HA CYS 34 HA CYS 680 -1.719 -22.488 -11.796 271 HB2 CYS 34 HB2 CYS 680 0.789 -21.134 -10.796 272 HB3 CYS 34 HB3 CYS 680 -0.823 -20.751 -10.330 273 H MET 35 H MET 681 0.892 -21.149 -13.699 274 HA MET 35 HA MET 681 -0.458 -18.590 -14.376 275 HB2 MET 35 HB2 MET 681 2.340 -19.670 -14.847 276 HB3 MET 35 HB3 MET 681 1.796 -18.063 -15.223 277 HG2 MET 35 HG2 MET 681 1.736 -19.053 -12.377 278 HG3 MET 35 HG3 MET 681 3.137 -18.293 -13.123 279 HE1 MET 35 HE1 MET 681 0.162 -17.446 -10.927 280 HE2 MET 35 HE2 MET 681 -0.633 -16.094 -11.764 281 HE3 MET 35 HE3 MET 681 -0.735 -17.730 -12.445 282 H GLY 36 H GLY 682 -0.231 -21.741 -15.701 283 HA2 GLY 36 HA2 GLY 682 -1.169 -22.544 -17.661 284 HA3 GLY 36 HA3 GLY 682 -1.245 -20.918 -18.329 285 H LEU 37 H LEU 683 1.742 -22.158 -16.964 286 HA LEU 37 HA LEU 683 2.821 -22.601 -19.694 287 HB2 LEU 37 HB2 LEU 683 4.507 -21.329 -17.628 288 HB3 LEU 37 HB3 LEU 683 4.728 -21.183 -19.325 289 HG LEU 37 HG LEU 683 2.265 -19.758 -18.443 290 HD11 LEU 37 HD11 LEU 683 3.799 -19.509 -16.378 291 HD12 LEU 37 HD12 LEU 683 4.820 -18.505 -17.428 292 HD13 LEU 37 HD13 LEU 683 3.134 -18.064 -17.153 293 HD21 LEU 37 HD21 LEU 683 3.495 -19.446 -20.574 294 HD22 LEU 37 HD22 LEU 683 3.338 -17.955 -19.617 295 HD23 LEU 37 HD23 LEU 683 4.901 -18.836 -19.619 296 H LEU 38 H LEU 684 4.909 -23.820 -19.590 297 HA LEU 38 HA LEU 684 5.347 -25.775 -17.521 298 HB2 LEU 38 HB2 LEU 684 4.660 -26.361 -20.450 299 HB3 LEU 38 HB3 LEU 684 5.536 -27.475 -19.468 300 HG LEU 38 HG LEU 684 2.607 -26.805 -19.535 301 HD11 LEU 38 HD11 LEU 684 2.506 -29.296 -19.173 302 HD12 LEU 38 HD12 LEU 684 3.448 -28.825 -20.588 303 HD13 LEU 38 HD13 LEU 684 4.289 -29.316 -19.102 304 HD21 LEU 38 HD21 LEU 684 2.215 -27.843 -17.337 305 HD22 LEU 38 HD22 LEU 684 3.966 -27.702 -16.994 306 HD23 LEU 38 HD23 LEU 684 2.967 -26.255 -17.302 307 H GLU 39 H GLU 685 7.506 -26.825 -18.066 308 HA GLU 39 HA GLU 685 9.445 -24.971 -19.010 309 HB2 GLU 39 HB2 GLU 685 10.898 -27.002 -19.161 310 HB3 GLU 39 HB3 GLU 685 10.217 -26.732 -17.566 311 HG2 GLU 39 HG2 GLU 685 10.189 -29.043 -17.913 312 HG3 GLU 39 HG3 GLU 685 8.540 -28.449 -17.851 313 H GLU 40 H GLU 686 7.488 -27.253 -20.826 314 HA GLU 40 HA GLU 686 8.910 -26.939 -23.303 315 HB2 GLU 40 HB2 GLU 686 6.824 -27.507 -24.492 316 HB3 GLU 40 HB3 GLU 686 7.421 -28.722 -23.340 317 HG2 GLU 40 HG2 GLU 686 5.733 -28.150 -21.787 318 HG3 GLU 40 HG3 GLU 686 5.203 -26.732 -22.723 319 H ASN 41 H ASN 687 6.323 -24.958 -21.872 320 HA ASN 41 HA ASN 687 6.134 -23.357 -24.352 321 HB2 ASN 41 HB2 ASN 687 4.519 -23.204 -21.807 322 HB3 ASN 41 HB3 ASN 687 4.157 -22.386 -23.256 323 HD21 ASN 41 HD21 ASN 687 1.915 -25.300 -22.992 324 HD22 ASN 41 HD22 ASN 687 2.325 -24.156 -21.774 325 H VAL 42 H VAL 688 8.181 -23.034 -21.738 326 HA VAL 42 HA VAL 688 7.779 -20.521 -20.622 327 HB VAL 42 HB VAL 688 10.450 -21.761 -21.254 328 HG11 VAL 42 HG11 VAL 688 11.384 -20.302 -19.566 329 HG12 VAL 42 HG12 VAL 688 10.708 -19.308 -20.820 330 HG13 VAL 42 HG13 VAL 688 9.795 -19.515 -19.309 331 HG21 VAL 42 HG21 VAL 688 10.434 -22.627 -19.159 332 HG22 VAL 42 HG22 VAL 688 8.919 -21.747 -18.696 333 HG23 VAL 42 HG23 VAL 688 8.921 -23.077 -19.884 334 HA PRO 43 HA PRO 689 8.491 -18.002 -24.306 335 HB2 PRO 43 HB2 PRO 689 7.202 -15.750 -23.434 336 HB3 PRO 43 HB3 PRO 689 6.287 -17.197 -23.940 337 HG2 PRO 43 HG2 PRO 689 7.038 -16.307 -21.177 338 HG3 PRO 43 HG3 PRO 689 5.430 -16.846 -21.755 339 HD2 PRO 43 HD2 PRO 689 7.202 -18.530 -20.455 340 HD3 PRO 43 HD3 PRO 689 6.131 -19.122 -21.681 341 H GLU 44 H GLU 690 9.468 -15.799 -24.631 342 HA GLU 44 HA GLU 690 11.896 -15.612 -22.943 343 HB2 GLU 44 HB2 GLU 690 10.997 -14.410 -25.551 344 HB3 GLU 44 HB3 GLU 690 12.147 -13.478 -24.605 345 HG2 GLU 44 HG2 GLU 690 12.715 -16.383 -25.326 346 HG3 GLU 44 HG3 GLU 690 13.061 -15.035 -26.396 347 H LYS 45 H LYS 691 8.835 -13.916 -23.443 348 HA LYS 45 HA LYS 691 9.350 -12.441 -20.918 349 HB2 LYS 45 HB2 LYS 691 8.096 -11.392 -23.482 350 HB3 LYS 45 HB3 LYS 691 7.914 -10.679 -21.918 351 HG2 LYS 45 HG2 LYS 691 10.423 -10.410 -21.752 352 HG3 LYS 45 HG3 LYS 691 10.549 -10.936 -23.440 353 HD2 LYS 45 HD2 LYS 691 9.082 -9.078 -24.153 354 HD3 LYS 45 HD3 LYS 691 8.912 -8.544 -22.480 355 HE2 LYS 45 HE2 LYS 691 11.460 -8.497 -24.170 356 HE3 LYS 45 HE3 LYS 691 10.472 -7.122 -23.664 357 HZ1 LYS 45 HZ1 LYS 691 12.231 -7.182 -22.122 358 HZ2 LYS 45 HZ2 LYS 691 11.003 -7.898 -21.278 359 HZ3 LYS 45 HZ3 LYS 691 12.196 -8.800 -21.937 360 H TYR 46 H TYR 692 8.335 -14.226 -19.976 361 HA TYR 46 HA TYR 692 5.357 -14.096 -20.109 362 HB2 TYR 46 HB2 TYR 692 5.744 -16.257 -19.409 363 HB3 TYR 46 HB3 TYR 692 7.314 -15.918 -18.743 364 HD1 TYR 46 HD1 TYR 692 3.657 -15.646 -18.087 365 HD2 TYR 46 HD2 TYR 692 7.656 -15.568 -16.496 366 HE1 TYR 46 HE1 TYR 692 2.741 -15.445 -15.743 367 HE2 TYR 46 HE2 TYR 692 6.747 -15.531 -14.184 368 HH TYR 46 HH TYR 692 4.891 -15.648 -12.957 369 H THR 47 H THR 693 4.240 -12.661 -19.187 370 HA THR 47 HA THR 693 5.204 -10.957 -16.952 371 HB THR 47 HB THR 693 2.843 -9.988 -17.459 372 HG1 THR 47 HG1 THR 693 2.148 -11.339 -19.081 373 HG21 THR 47 HG21 THR 693 4.928 -8.730 -17.656 374 HG22 THR 47 HG22 THR 693 5.215 -9.450 -19.260 375 HG23 THR 47 HG23 THR 693 3.828 -8.364 -18.996 376 H CYS 48 H CYS 694 4.470 -11.203 -14.933 377 HA CYS 48 HA CYS 694 2.624 -13.382 -14.316 378 HB2 CYS 48 HB2 CYS 694 3.509 -13.198 -12.149 379 HB3 CYS 48 HB3 CYS 694 4.861 -12.689 -13.037 380 H TYR 49 H TYR 695 0.611 -13.223 -13.317 381 HA TYR 49 HA TYR 695 -1.173 -11.247 -13.637 382 HB2 TYR 49 HB2 TYR 695 -2.349 -12.202 -11.924 383 HB3 TYR 49 HB3 TYR 695 -1.418 -13.522 -12.609 384 HD1 TYR 49 HD1 TYR 695 1.012 -13.914 -11.409 385 HD2 TYR 49 HD2 TYR 695 -2.424 -12.024 -9.581 386 HE1 TYR 49 HE1 TYR 695 1.954 -14.334 -9.174 387 HE2 TYR 49 HE2 TYR 695 -1.450 -12.436 -7.329 388 HH TYR 49 HH TYR 695 0.390 -13.202 -6.146 389 H VAL 50 H VAL 696 1.165 -11.029 -10.891 390 HA VAL 50 HA VAL 696 0.092 -8.666 -9.758 391 HB VAL 50 HB VAL 696 2.599 -10.224 -9.518 392 HG11 VAL 50 HG11 VAL 696 3.779 -8.599 -8.165 393 HG12 VAL 50 HG12 VAL 696 3.653 -8.068 -9.843 394 HG13 VAL 50 HG13 VAL 696 2.594 -7.346 -8.595 395 HG21 VAL 50 HG21 VAL 696 0.910 -8.863 -7.419 396 HG22 VAL 50 HG22 VAL 696 0.631 -10.497 -8.058 397 HG23 VAL 50 HG23 VAL 696 2.129 -10.145 -7.195 398 H CYS 51 H CYS 697 2.134 -9.080 -12.599 399 HA CYS 51 HA CYS 697 2.250 -6.184 -13.088 400 HB2 CYS 51 HB2 CYS 697 3.542 -8.464 -14.565 401 HB3 CYS 51 HB3 CYS 697 3.740 -6.761 -14.917 402 H GLN 52 H GLN 698 1.304 -9.192 -15.068 403 HA GLN 52 HA GLN 698 -0.175 -7.364 -16.824 404 HB2 GLN 52 HB2 GLN 698 -0.830 -9.475 -17.913 405 HB3 GLN 52 HB3 GLN 698 0.898 -9.230 -17.922 406 HG2 GLN 52 HG2 GLN 698 1.196 -11.085 -16.574 407 HG3 GLN 52 HG3 GLN 698 -0.315 -11.025 -15.787 408 HE21 GLN 52 HE21 GLN 698 -2.075 -12.438 -16.718 409 HE22 GLN 52 HE22 GLN 698 -1.750 -13.306 -18.205 410 H ASP 53 H ASP 699 -1.158 -9.592 -14.306 411 HA ASP 53 HA ASP 699 -3.128 -10.281 -13.429 412 HB2 ASP 53 HB2 ASP 699 -3.777 -7.933 -13.065 413 HB3 ASP 53 HB3 ASP 699 -4.347 -7.852 -14.720 414 H1 ALA 1 H1 ALA 1 11.756 -14.653 -20.219 415 H2 ALA 1 H2 ALA 1 12.164 -16.234 -20.433 416 H3 ALA 1 H3 ALA 1 13.222 -15.190 -19.742 417 HA ALA 1 HA ALA 1 11.678 -14.874 -17.838 418 HB1 ALA 1 HB1 ALA 1 9.580 -15.485 -19.015 419 HB2 ALA 1 HB2 ALA 1 10.118 -17.175 -19.152 420 HB3 ALA 1 HB3 ALA 1 9.816 -16.475 -17.573 421 H ARG 2 H ARG 2 13.132 -15.745 -16.249 422 HA ARG 2 HA ARG 2 14.843 -18.003 -16.733 423 HB2 ARG 2 HB2 ARG 2 14.752 -15.948 -14.923 424 HB3 ARG 2 HB3 ARG 2 14.244 -17.295 -13.886 425 HG2 ARG 2 HG2 ARG 2 16.268 -18.438 -14.158 426 HG3 ARG 2 HG3 ARG 2 16.832 -17.295 -15.405 427 HD2 ARG 2 HD2 ARG 2 16.885 -15.465 -13.787 428 HD3 ARG 2 HD3 ARG 2 16.052 -16.391 -12.569 429 HE ARG 2 HE ARG 2 18.025 -17.569 -12.055 430 HH11 ARG 2 HH11 ARG 2 18.706 -15.517 -14.827 431 HH12 ARG 2 HH12 ARG 2 20.424 -15.753 -14.678 432 HH21 ARG 2 HH21 ARG 2 20.215 -17.813 -11.938 433 HH22 ARG 2 HH22 ARG 2 21.252 -17.015 -13.089 434 H THR 3 H THR 3 14.841 -20.111 -15.789 435 HA THR 3 HA THR 3 12.412 -21.105 -14.422 436 HB THR 3 HB THR 3 12.512 -23.147 -16.027 437 HG1 THR 3 HG1 THR 3 14.158 -22.489 -17.410 438 HG21 THR 3 HG21 THR 3 11.224 -20.557 -16.954 439 HG22 THR 3 HG22 THR 3 10.637 -22.225 -17.171 440 HG23 THR 3 HG23 THR 3 10.616 -21.522 -15.598 441 H MLY 4 H MLY 4 12.617 -23.134 -13.363 442 HA MLY 4 HA MLY 4 15.438 -23.879 -12.927 443 HB2 MLY 4 HB2 MLY 4 15.166 -23.638 -10.494 444 HB3 MLY 4 HB3 MLY 4 14.817 -22.131 -11.336 445 HG2 MLY 4 HG2 MLY 4 12.340 -22.752 -11.164 446 HG3 MLY 4 HG3 MLY 4 12.807 -24.022 -10.038 447 HD2 MLY 4 HD2 MLY 4 13.820 -21.169 -9.601 448 HD3 MLY 4 HD3 MLY 4 12.161 -21.543 -9.218 449 HE2 MLY 4 HE2 MLY 4 12.855 -23.314 -7.628 450 HE3 MLY 4 HE3 MLY 4 14.537 -23.066 -8.091 451 HH11 MLY 4 HH11 MLY 4 12.561 -20.102 -5.762 452 HH12 MLY 4 HH12 MLY 4 11.989 -20.308 -7.405 453 HH13 MLY 4 HH13 MLY 4 11.686 -21.574 -6.195 454 HH21 MLY 4 HH21 MLY 4 14.443 -21.342 -4.896 455 HH22 MLY 4 HH22 MLY 4 13.644 -22.881 -5.263 456 HH23 MLY 4 HH23 MLY 4 15.275 -22.550 -5.876 457 HZ MLY 4 HZ MLY 4 14.370 -20.787 -7.251 458 H GLN 5 H GLN 5 12.148 -25.100 -12.809 459 HA GLN 5 HA GLN 5 11.368 -27.229 -12.612 460 HB2 GLN 5 HB2 GLN 5 12.970 -27.042 -14.737 461 HB3 GLN 5 HB3 GLN 5 13.955 -28.163 -13.842 462 HG2 GLN 5 HG2 GLN 5 11.278 -29.209 -13.713 463 HG3 GLN 5 HG3 GLN 5 11.485 -28.620 -15.358 464 HE21 GLN 5 HE21 GLN 5 13.328 -30.472 -12.882 465 HE22 GLN 5 HE22 GLN 5 14.005 -31.653 -14.010 466 H THR 6 H THR 6 13.014 -26.401 -10.260 467 HA THR 6 HA THR 6 14.106 -27.117 -8.415 468 HB THR 6 HB THR 6 13.229 -28.996 -7.204 469 HG1 THR 6 HG1 THR 6 12.052 -29.692 -9.680 470 HG21 THR 6 HG21 THR 6 10.888 -28.393 -7.128 471 HG22 THR 6 HG22 THR 6 11.877 -26.936 -7.318 472 HG23 THR 6 HG23 THR 6 10.992 -27.596 -8.710 473 H ALA 7 H ALA 7 15.424 -27.868 -10.988 474 HA ALA 7 HA ALA 7 17.074 -29.083 -11.884 475 HB1 ALA 7 HB1 ALA 7 18.088 -29.311 -9.033 476 HB2 ALA 7 HB2 ALA 7 19.050 -29.429 -10.520 477 HB3 ALA 7 HB3 ALA 7 18.282 -27.894 -10.086 478 H ARG 8 H ARG 8 14.664 -30.657 -10.932 479 HA ARG 8 HA ARG 8 15.473 -33.265 -10.124 480 HB2 ARG 8 HB2 ARG 8 13.203 -32.313 -9.865 481 HB3 ARG 8 HB3 ARG 8 12.965 -32.372 -11.610 482 HG2 ARG 8 HG2 ARG 8 13.204 -34.868 -11.519 483 HG3 ARG 8 HG3 ARG 8 13.358 -34.767 -9.757 484 HD2 ARG 8 HD2 ARG 8 11.104 -33.837 -9.590 485 HD3 ARG 8 HD3 ARG 8 10.992 -33.708 -11.357 486 HE ARG 8 HE ARG 8 11.548 -36.429 -10.670 487 HH11 ARG 8 HH11 ARG 8 8.863 -34.156 -10.512 488 HH12 ARG 8 HH12 ARG 8 7.673 -35.441 -10.584 489 HH21 ARG 8 HH21 ARG 8 10.042 -37.972 -10.783 490 HH22 ARG 8 HH22 ARG 8 8.331 -37.582 -10.740 491 H LYS 9 H LYS 9 15.964 -35.095 -11.146 492 HA LYS 9 HA LYS 9 16.886 -35.087 -13.945 493 HB2 LYS 9 HB2 LYS 9 16.818 -37.331 -11.875 494 HB3 LYS 9 HB3 LYS 9 17.745 -37.321 -13.375 495 HG2 LYS 9 HG2 LYS 9 18.225 -35.557 -10.940 496 HG3 LYS 9 HG3 LYS 9 19.201 -36.914 -11.490 497 HD2 LYS 9 HD2 LYS 9 19.744 -35.664 -13.591 498 HD3 LYS 9 HD3 LYS 9 18.830 -34.269 -12.969 499 HE2 LYS 9 HE2 LYS 9 20.316 -34.174 -10.988 500 HE3 LYS 9 HE3 LYS 9 21.225 -35.565 -11.594 501 HZ1 LYS 9 HZ1 LYS 9 22.328 -33.478 -12.168 502 HZ2 LYS 9 HZ2 LYS 9 21.858 -34.226 -13.541 503 HZ3 LYS 9 HZ3 LYS 9 21.022 -32.932 -12.978 504 H SER 10 H SER 10 16.349 -37.691 -14.756 505 HA SER 10 HA SER 10 13.666 -37.563 -15.809 506 HB2 SER 10 HB2 SER 10 14.190 -39.814 -16.685 507 HB3 SER 10 HB3 SER 10 15.467 -38.638 -17.032 508 HG SER 10 HG SER 10 16.291 -40.658 -16.237 509 H THR 11 H THR 11 14.972 -38.936 -12.862 510 HA THR 11 HA THR 11 12.802 -40.737 -12.204 511 HB THR 11 HB THR 11 13.801 -40.669 -9.926 512 HG1 THR 11 HG1 THR 11 14.611 -38.514 -10.194 513 HG21 THR 11 HG21 THR 11 14.585 -42.316 -11.601 514 HG22 THR 11 HG22 THR 11 15.821 -41.162 -12.166 515 HG23 THR 11 HG23 THR 11 15.887 -41.812 -10.512 516 HN1 NH2 12 H01 THR 11 13.635 -37.539 -10.813 517 HN2 NH2 12 H02 THR 11 11.994 -37.219 -10.298 Start of MODEL 6 1 H1 GLY -3 H1 GLY -3 2.292 -1.966 3.109 2 H2 GLY -3 H2 GLY -3 2.790 -3.460 2.656 3 H3 GLY -3 H3 GLY -3 3.612 -2.640 3.811 4 HA2 GLY -3 HA2 GLY -3 3.393 -1.837 0.967 5 HA3 GLY -3 HA3 GLY -3 4.278 -0.939 2.212 6 H HIS -2 H HIS -2 6.347 -1.499 2.659 7 HA HIS -2 HA HIS -2 8.381 -2.472 2.553 8 HB2 HIS -2 HB2 HIS -2 6.809 -5.050 2.783 9 HB3 HIS -2 HB3 HIS -2 8.473 -4.772 3.284 10 HD2 HIS -2 HD2 HIS -2 8.888 -3.811 5.677 11 HE1 HIS -2 HE1 HIS -2 4.846 -3.054 6.815 12 HE2 HIS -2 HE2 HIS -2 7.258 -3.111 7.627 13 H MET -1 H MET -1 7.310 -1.962 -0.097 14 HA MET -1 HA MET -1 8.002 -4.055 -1.937 15 HB2 MET -1 HB2 MET -1 8.121 -2.198 -3.585 16 HB3 MET -1 HB3 MET -1 6.608 -2.249 -2.661 17 HG2 MET -1 HG2 MET -1 7.491 -0.329 -1.283 18 HG3 MET -1 HG3 MET -1 8.959 -0.347 -2.247 19 HE1 MET -1 HE1 MET -1 5.098 -0.634 -3.367 20 HE2 MET -1 HE2 MET -1 5.179 0.604 -2.092 21 HE3 MET -1 HE3 MET -1 4.823 1.070 -3.767 22 H ASP 0 H ASP 646 9.931 -1.584 -0.474 23 HA ASP 0 HA ASP 646 11.969 -0.755 -0.699 24 HB2 ASP 0 HB2 ASP 646 12.767 -3.666 -1.116 25 HB3 ASP 0 HB3 ASP 646 13.877 -2.339 -0.812 26 H ARG 1 H ARG 647 10.594 -1.465 -3.269 27 HA ARG 1 HA ARG 647 10.698 -0.808 -5.510 28 HB2 ARG 1 HB2 ARG 647 11.668 1.305 -5.918 29 HB3 ARG 1 HB3 ARG 647 11.050 1.230 -4.256 30 HG2 ARG 1 HG2 ARG 647 13.031 2.603 -4.442 31 HG3 ARG 1 HG3 ARG 647 13.080 1.329 -3.245 32 HD2 ARG 1 HD2 ARG 647 15.241 1.509 -4.315 33 HD3 ARG 1 HD3 ARG 647 14.472 -0.029 -4.716 34 HE ARG 1 HE ARG 647 13.953 2.012 -6.717 35 HH11 ARG 1 HH11 ARG 647 16.390 -0.320 -5.751 36 HH12 ARG 1 HH12 ARG 647 17.085 -0.392 -7.344 37 HH21 ARG 1 HH21 ARG 647 14.882 1.860 -8.737 38 HH22 ARG 1 HH22 ARG 647 16.247 0.813 -8.997 39 H TYR 2 H TYR 648 13.107 -2.545 -4.300 40 HA TYR 2 HA TYR 648 14.747 -2.900 -6.669 41 HB2 TYR 2 HB2 TYR 648 14.498 -3.950 -3.870 42 HB3 TYR 2 HB3 TYR 648 15.340 -4.970 -5.033 43 HD1 TYR 2 HD1 TYR 648 15.777 -2.287 -2.716 44 HD2 TYR 2 HD2 TYR 648 17.234 -3.830 -6.471 45 HE1 TYR 2 HE1 TYR 648 17.851 -0.959 -2.447 46 HE2 TYR 2 HE2 TYR 648 19.327 -2.502 -6.194 47 HH TYR 2 HH TYR 648 19.899 -0.399 -3.341 48 H ASP 3 H ASP 649 14.844 -4.668 -8.019 49 HA ASP 3 HA ASP 649 12.561 -6.581 -8.059 50 HB2 ASP 3 HB2 ASP 649 14.780 -6.120 -10.080 51 HB3 ASP 3 HB3 ASP 649 13.429 -7.236 -10.250 52 H PHE 4 H PHE 650 12.839 -8.326 -6.805 53 HA PHE 4 HA PHE 650 15.469 -9.728 -6.664 54 HB2 PHE 4 HB2 PHE 650 13.374 -9.148 -4.524 55 HB3 PHE 4 HB3 PHE 650 14.651 -10.314 -4.334 56 HD1 PHE 4 HD1 PHE 650 17.050 -8.811 -5.449 57 HD2 PHE 4 HD2 PHE 650 13.819 -7.544 -2.874 58 HE1 PHE 4 HE1 PHE 650 18.528 -7.124 -4.413 59 HE2 PHE 4 HE2 PHE 650 15.318 -5.870 -1.831 60 HZ PHE 4 HZ PHE 650 17.686 -5.673 -2.574 61 H GLU 5 H GLU 651 15.398 -11.944 -6.180 62 HA GLU 5 HA GLU 651 13.426 -13.451 -7.664 63 HB2 GLU 5 HB2 GLU 651 15.195 -14.883 -5.695 64 HB3 GLU 5 HB3 GLU 651 14.983 -15.250 -7.390 65 HG2 GLU 5 HG2 GLU 651 16.808 -13.039 -6.387 66 HG3 GLU 5 HG3 GLU 651 17.267 -14.703 -6.670 67 H VAL 6 H VAL 652 11.452 -13.347 -6.927 68 HA VAL 6 HA VAL 652 10.776 -14.011 -4.071 69 HB VAL 6 HB VAL 652 9.831 -11.759 -5.858 70 HG11 VAL 6 HG11 VAL 652 8.697 -12.615 -3.146 71 HG12 VAL 6 HG12 VAL 652 8.334 -11.074 -3.962 72 HG13 VAL 6 HG13 VAL 652 7.825 -12.592 -4.703 73 HG21 VAL 6 HG21 VAL 652 11.051 -11.673 -3.069 74 HG22 VAL 6 HG22 VAL 652 11.903 -11.300 -4.573 75 HG23 VAL 6 HG23 VAL 652 10.557 -10.281 -4.069 76 H VAL 7 H VAL 653 9.844 -15.923 -4.105 77 HA VAL 7 HA VAL 653 8.242 -16.758 -6.389 78 HB VAL 7 HB VAL 653 8.493 -17.998 -3.608 79 HG11 VAL 7 HG11 VAL 653 7.535 -20.018 -4.696 80 HG12 VAL 7 HG12 VAL 653 6.332 -18.719 -4.627 81 HG13 VAL 7 HG13 VAL 653 7.169 -19.040 -6.148 82 HG21 VAL 7 HG21 VAL 653 9.851 -19.679 -4.751 83 HG22 VAL 7 HG22 VAL 653 9.562 -18.893 -6.314 84 HG23 VAL 7 HG23 VAL 653 10.541 -18.056 -5.096 85 H ARG 8 H ARG 654 6.536 -15.506 -6.780 86 HA ARG 8 HA ARG 654 4.350 -15.245 -4.740 87 HB2 ARG 8 HB2 ARG 654 5.814 -13.088 -6.176 88 HB3 ARG 8 HB3 ARG 654 4.069 -13.028 -6.428 89 HG2 ARG 8 HG2 ARG 654 3.724 -12.987 -3.991 90 HG3 ARG 8 HG3 ARG 654 5.440 -13.211 -3.720 91 HD2 ARG 8 HD2 ARG 654 5.923 -10.937 -4.442 92 HD3 ARG 8 HD3 ARG 654 4.629 -10.987 -5.617 93 HE ARG 8 HE ARG 654 3.250 -9.906 -4.094 94 HH11 ARG 8 HH11 ARG 654 5.734 -11.445 -2.112 95 HH12 ARG 8 HH12 ARG 654 5.088 -10.742 -0.658 96 HH21 ARG 8 HH21 ARG 654 2.525 -9.071 -2.215 97 HH22 ARG 8 HH22 ARG 654 3.328 -9.430 -0.721 98 H CYS 9 H CYS 655 3.442 -16.987 -5.478 99 HA CYS 9 HA CYS 655 2.264 -16.999 -8.246 100 HB2 CYS 9 HB2 CYS 655 3.315 -19.079 -7.355 101 HB3 CYS 9 HB3 CYS 655 2.180 -19.075 -6.057 102 H ILE 10 H ILE 656 -0.013 -17.162 -8.562 103 HA ILE 10 HA ILE 656 -1.816 -15.659 -7.040 104 HB ILE 10 HB ILE 656 -3.617 -17.057 -8.124 105 HG12 ILE 10 HG12 ILE 656 -2.977 -18.451 -10.063 106 HG13 ILE 10 HG13 ILE 656 -1.304 -18.511 -9.505 107 HG21 ILE 10 HG21 ILE 656 -2.986 -16.162 -10.391 108 HG22 ILE 10 HG22 ILE 656 -2.808 -15.018 -9.045 109 HG23 ILE 10 HG23 ILE 656 -1.371 -15.803 -9.715 110 HD11 ILE 10 HD11 ILE 656 -3.621 -19.527 -7.811 111 HD12 ILE 10 HD12 ILE 656 -2.911 -20.508 -9.104 112 HD13 ILE 10 HD13 ILE 656 -1.894 -20.003 -7.765 113 H CYS 11 H CYS 657 -0.466 -18.572 -6.264 114 HA CYS 11 HA CYS 657 -2.531 -19.837 -4.663 115 HB2 CYS 11 HB2 CYS 657 0.374 -20.181 -5.347 116 HB3 CYS 11 HB3 CYS 657 -0.261 -21.037 -3.865 117 H GLU 12 H GLU 658 -0.437 -17.096 -4.211 118 HA GLU 12 HA GLU 658 0.594 -16.036 -2.564 119 HB2 GLU 12 HB2 GLU 658 -2.091 -16.673 -1.265 120 HB3 GLU 12 HB3 GLU 658 -0.958 -15.447 -0.633 121 HG2 GLU 12 HG2 GLU 658 -1.071 -14.282 -2.857 122 HG3 GLU 12 HG3 GLU 658 -2.348 -15.404 -3.343 123 H VAL 13 H VAL 659 1.523 -18.391 -2.810 124 HA VAL 13 HA VAL 659 2.578 -19.043 -0.139 125 HB VAL 13 HB VAL 659 0.868 -20.714 -1.194 126 HG11 VAL 13 HG11 VAL 659 1.750 -22.422 -2.640 127 HG12 VAL 13 HG12 VAL 659 1.891 -20.836 -3.430 128 HG13 VAL 13 HG13 VAL 659 3.319 -21.592 -2.747 129 HG21 VAL 13 HG21 VAL 659 2.119 -21.200 0.832 130 HG22 VAL 13 HG22 VAL 659 2.105 -22.629 -0.207 131 HG23 VAL 13 HG23 VAL 659 3.564 -21.622 -0.096 132 H GLN 14 H GLN 660 4.713 -19.036 -0.082 133 HA GLN 14 HA GLN 660 6.304 -18.602 -2.520 134 HB2 GLN 14 HB2 GLN 660 7.043 -18.725 0.393 135 HB3 GLN 14 HB3 GLN 660 8.231 -18.583 -0.908 136 HG2 GLN 14 HG2 GLN 660 7.711 -16.438 0.181 137 HG3 GLN 14 HG3 GLN 660 7.390 -16.425 -1.540 138 HE21 GLN 14 HE21 GLN 660 5.186 -16.078 -2.256 139 HE22 GLN 14 HE22 GLN 660 3.916 -15.699 -1.084 140 H GLU 15 H GLU 661 4.969 -21.365 -1.553 141 HA GLU 15 HA GLU 661 6.963 -23.320 -1.219 142 HB2 GLU 15 HB2 GLU 661 4.612 -23.720 -0.686 143 HB3 GLU 15 HB3 GLU 661 4.177 -23.555 -2.383 144 HG2 GLU 15 HG2 GLU 661 4.100 -25.849 -1.757 145 HG3 GLU 15 HG3 GLU 661 5.351 -25.600 -2.960 146 H GLU 16 H GLU 662 7.707 -24.903 -2.731 147 HA GLU 16 HA GLU 662 7.924 -23.989 -5.458 148 HB2 GLU 16 HB2 GLU 662 10.058 -25.684 -4.589 149 HB3 GLU 16 HB3 GLU 662 9.991 -24.575 -5.906 150 HG2 GLU 16 HG2 GLU 662 10.357 -22.660 -4.726 151 HG3 GLU 16 HG3 GLU 662 9.950 -23.382 -3.168 152 H ASN 17 H ASN 663 6.934 -25.078 -6.391 153 HA ASN 17 HA ASN 663 6.066 -27.888 -6.394 154 HB2 ASN 17 HB2 ASN 663 5.694 -25.664 -8.378 155 HB3 ASN 17 HB3 ASN 663 5.335 -27.318 -8.812 156 HD21 ASN 17 HD21 ASN 663 2.074 -26.362 -7.924 157 HD22 ASN 17 HD22 ASN 663 3.160 -26.490 -9.263 158 H ASP 18 H ASP 664 6.496 -29.218 -8.436 159 HA ASP 18 HA ASP 664 9.215 -29.760 -9.068 160 HB2 ASP 18 HB2 ASP 664 6.635 -30.296 -10.620 161 HB3 ASP 18 HB3 ASP 664 8.191 -30.946 -11.032 162 H PHE 19 H PHE 665 6.967 -27.540 -10.639 163 HA PHE 19 HA PHE 665 9.205 -26.529 -12.257 164 HB2 PHE 19 HB2 PHE 665 7.599 -27.694 -13.778 165 HB3 PHE 19 HB3 PHE 665 6.284 -26.753 -13.103 166 HD1 PHE 19 HD1 PHE 665 5.555 -25.330 -14.841 167 HD2 PHE 19 HD2 PHE 665 9.769 -25.961 -14.205 168 HE1 PHE 19 HE1 PHE 665 6.100 -23.692 -16.632 169 HE2 PHE 19 HE2 PHE 665 10.320 -24.287 -15.896 170 HZ PHE 19 HZ PHE 665 8.443 -23.245 -17.204 171 H MET 20 H MET 666 9.740 -24.383 -12.155 172 HA MET 20 HA MET 666 7.668 -22.476 -11.450 173 HB2 MET 20 HB2 MET 666 10.391 -22.154 -10.164 174 HB3 MET 20 HB3 MET 666 9.023 -21.169 -9.860 175 HG2 MET 20 HG2 MET 666 7.936 -23.490 -9.185 176 HG3 MET 20 HG3 MET 666 9.605 -24.034 -9.062 177 HE1 MET 20 HE1 MET 666 6.863 -21.859 -7.898 178 HE2 MET 20 HE2 MET 666 7.304 -21.455 -6.226 179 HE3 MET 20 HE3 MET 666 7.905 -20.457 -7.598 180 H ILE 21 H ILE 667 8.010 -20.338 -12.231 181 HA ILE 21 HA ILE 667 10.120 -19.977 -14.306 182 HB ILE 21 HB ILE 667 7.346 -18.848 -14.620 183 HG12 ILE 21 HG12 ILE 667 8.138 -21.177 -16.362 184 HG13 ILE 21 HG13 ILE 667 7.579 -21.566 -14.736 185 HG21 ILE 21 HG21 ILE 667 7.671 -18.566 -17.040 186 HG22 ILE 21 HG22 ILE 667 9.093 -17.880 -16.234 187 HG23 ILE 21 HG23 ILE 667 9.163 -19.438 -17.065 188 HD11 ILE 21 HD11 ILE 667 6.084 -19.993 -16.778 189 HD12 ILE 21 HD12 ILE 667 5.730 -21.584 -16.114 190 HD13 ILE 21 HD13 ILE 667 5.594 -20.145 -15.060 191 H GLN 22 H GLN 668 10.574 -17.616 -14.778 192 HA GLN 22 HA GLN 668 9.925 -15.964 -12.332 193 HB2 GLN 22 HB2 GLN 668 12.324 -16.408 -12.300 194 HB3 GLN 22 HB3 GLN 668 12.413 -16.134 -14.044 195 HG2 GLN 22 HG2 GLN 668 12.202 -13.731 -13.808 196 HG3 GLN 22 HG3 GLN 668 11.497 -13.944 -12.230 197 HE21 GLN 22 HE21 GLN 668 12.974 -13.735 -10.364 198 HE22 GLN 22 HE22 GLN 668 14.694 -13.684 -10.569 199 H CYS 23 H CYS 669 8.945 -14.042 -12.590 200 HA CYS 23 HA CYS 669 7.891 -13.221 -15.155 201 HB2 CYS 23 HB2 CYS 669 6.863 -12.726 -12.930 202 HB3 CYS 23 HB3 CYS 669 8.265 -11.764 -12.494 203 H GLU 24 H GLU 670 8.695 -11.934 -16.663 204 HA GLU 24 HA GLU 670 11.505 -11.129 -16.483 205 HB2 GLU 24 HB2 GLU 670 11.201 -10.380 -18.714 206 HB3 GLU 24 HB3 GLU 670 10.453 -11.954 -18.570 207 HG2 GLU 24 HG2 GLU 670 8.554 -10.956 -19.489 208 HG3 GLU 24 HG3 GLU 670 8.341 -10.308 -17.915 209 H GLU 25 H GLU 671 8.556 -9.564 -15.557 210 HA GLU 25 HA GLU 671 9.619 -6.845 -15.950 211 HB2 GLU 25 HB2 GLU 671 7.315 -7.507 -16.448 212 HB3 GLU 25 HB3 GLU 671 7.028 -7.814 -14.788 213 HG2 GLU 25 HG2 GLU 671 6.103 -5.647 -15.653 214 HG3 GLU 25 HG3 GLU 671 7.015 -5.576 -14.164 215 H CYS 26 H CYS 672 8.333 -8.626 -13.134 216 HA CYS 26 HA CYS 672 9.904 -6.872 -11.394 217 HB2 CYS 26 HB2 CYS 672 8.382 -7.324 -9.743 218 HB3 CYS 26 HB3 CYS 672 7.457 -6.834 -11.174 219 H GLN 27 H GLN 673 10.365 -9.897 -12.568 220 HA GLN 27 HA GLN 673 11.737 -11.513 -12.094 221 HB2 GLN 27 HB2 GLN 673 12.658 -9.445 -10.272 222 HB3 GLN 27 HB3 GLN 673 12.833 -10.911 -9.505 223 HG2 GLN 27 HG2 GLN 673 14.790 -11.306 -10.504 224 HG3 GLN 27 HG3 GLN 673 14.034 -11.419 -12.064 225 HE21 GLN 27 HE21 GLN 673 13.452 -9.294 -13.231 226 HE22 GLN 27 HE22 GLN 673 14.703 -8.076 -13.148 227 H CYS 28 H CYS 674 9.015 -11.173 -10.289 228 HA CYS 28 HA CYS 674 9.636 -13.071 -8.265 229 HB2 CYS 28 HB2 CYS 674 7.184 -13.140 -7.953 230 HB3 CYS 28 HB3 CYS 674 7.903 -11.449 -8.047 231 HG CYS 28 HG CYS 674 5.564 -11.378 -9.207 232 H TRP 29 H TRP 675 8.979 -15.218 -7.961 233 HA TRP 29 HA TRP 675 8.896 -16.774 -10.436 234 HB2 TRP 29 HB2 TRP 675 9.886 -17.217 -7.662 235 HB3 TRP 29 HB3 TRP 675 9.611 -18.610 -8.720 236 HD1 TRP 29 HD1 TRP 675 11.821 -15.578 -8.245 237 HE1 TRP 29 HE1 TRP 675 14.059 -15.893 -9.521 238 HE3 TRP 29 HE3 TRP 675 10.620 -19.741 -10.878 239 HZ2 TRP 29 HZ2 TRP 675 15.162 -17.827 -11.328 240 HZ3 TRP 29 HZ3 TRP 675 12.301 -20.783 -12.455 241 HH2 TRP 29 HH2 TRP 675 14.568 -19.832 -12.647 242 H GLN 30 H GLN 676 7.415 -18.473 -10.867 243 HA GLN 30 HA GLN 676 5.262 -18.826 -8.815 244 HB2 GLN 30 HB2 GLN 676 4.805 -18.275 -11.785 245 HB3 GLN 30 HB3 GLN 676 3.554 -18.669 -10.600 246 HG2 GLN 30 HG2 GLN 676 3.355 -16.378 -10.795 247 HG3 GLN 30 HG3 GLN 676 4.225 -16.729 -9.299 248 HE21 GLN 30 HE21 GLN 676 5.269 -14.714 -9.213 249 HE22 GLN 30 HE22 GLN 676 6.504 -14.278 -10.416 250 H HIS 31 H HIS 677 3.905 -20.676 -9.266 251 HA HIS 31 HA HIS 677 5.417 -22.897 -10.443 252 HB2 HIS 31 HB2 HIS 677 2.427 -22.936 -9.845 253 HB3 HIS 31 HB3 HIS 677 3.569 -24.241 -9.887 254 HD2 HIS 31 HD2 HIS 677 5.667 -23.580 -7.895 255 HE1 HIS 31 HE1 HIS 677 2.769 -22.443 -4.971 256 HE2 HIS 31 HE2 HIS 677 5.165 -23.117 -5.320 257 H GLY 32 H GLY 678 5.539 -22.992 -12.665 258 HA2 GLY 32 HA2 GLY 678 4.024 -21.374 -14.308 259 HA3 GLY 32 HA3 GLY 678 4.746 -22.939 -14.869 260 H VAL 33 H VAL 679 3.067 -24.575 -13.251 261 HA VAL 33 HA VAL 679 0.925 -24.909 -15.139 262 HB VAL 33 HB VAL 679 2.080 -26.665 -14.002 263 HG11 VAL 33 HG11 VAL 679 1.463 -27.364 -11.709 264 HG12 VAL 33 HG12 VAL 679 2.178 -25.752 -11.678 265 HG13 VAL 33 HG13 VAL 679 0.419 -25.941 -11.528 266 HG21 VAL 33 HG21 VAL 679 -0.112 -27.105 -15.052 267 HG22 VAL 33 HG22 VAL 679 0.197 -28.172 -13.673 268 HG23 VAL 33 HG23 VAL 679 -0.921 -26.808 -13.495 269 H CYS 34 H CYS 680 1.148 -22.976 -12.281 270 HA CYS 34 HA CYS 680 -1.726 -22.575 -11.730 271 HB2 CYS 34 HB2 CYS 680 0.793 -21.200 -10.769 272 HB3 CYS 34 HB3 CYS 680 -0.804 -20.831 -10.271 273 H MET 35 H MET 681 0.854 -21.182 -13.631 274 HA MET 35 HA MET 681 -0.541 -18.645 -14.293 275 HB2 MET 35 HB2 MET 681 2.262 -19.694 -14.831 276 HB3 MET 35 HB3 MET 681 1.682 -18.102 -15.193 277 HG2 MET 35 HG2 MET 681 1.644 -19.052 -12.332 278 HG3 MET 35 HG3 MET 681 3.060 -18.332 -13.092 279 HE1 MET 35 HE1 MET 681 -0.676 -16.045 -11.806 280 HE2 MET 35 HE2 MET 681 -0.790 -17.698 -12.433 281 HE3 MET 35 HE3 MET 681 0.102 -17.382 -10.921 282 H GLY 36 H GLY 682 -0.296 -21.791 -15.637 283 HA2 GLY 36 HA2 GLY 682 -1.188 -22.630 -17.584 284 HA3 GLY 36 HA3 GLY 682 -1.424 -20.997 -18.222 285 H LEU 37 H LEU 683 1.646 -22.132 -16.934 286 HA LEU 37 HA LEU 683 2.682 -22.514 -19.673 287 HB2 LEU 37 HB2 LEU 683 4.402 -21.244 -17.631 288 HB3 LEU 37 HB3 LEU 683 4.611 -21.095 -19.335 289 HG LEU 37 HG LEU 683 2.145 -19.691 -18.420 290 HD11 LEU 37 HD11 LEU 683 3.694 -19.422 -16.376 291 HD12 LEU 37 HD12 LEU 683 4.712 -18.432 -17.449 292 HD13 LEU 37 HD13 LEU 683 3.033 -17.983 -17.158 293 HD21 LEU 37 HD21 LEU 683 4.748 -18.753 -19.641 294 HD22 LEU 37 HD22 LEU 683 3.337 -19.407 -20.566 295 HD23 LEU 37 HD23 LEU 683 3.163 -17.898 -19.633 296 H LEU 38 H LEU 684 4.668 -23.799 -19.724 297 HA LEU 38 HA LEU 684 5.212 -25.674 -17.563 298 HB2 LEU 38 HB2 LEU 684 3.872 -26.138 -20.233 299 HB3 LEU 38 HB3 LEU 684 5.265 -27.126 -19.917 300 HG LEU 38 HG LEU 684 2.974 -28.041 -19.342 301 HD11 LEU 38 HD11 LEU 684 5.253 -28.057 -17.318 302 HD12 LEU 38 HD12 LEU 684 4.030 -29.345 -17.522 303 HD13 LEU 38 HD13 LEU 684 5.196 -28.987 -18.823 304 HD21 LEU 38 HD21 LEU 684 2.121 -26.125 -18.036 305 HD22 LEU 38 HD22 LEU 684 2.028 -27.687 -17.192 306 HD23 LEU 38 HD23 LEU 684 3.289 -26.522 -16.750 307 H GLU 39 H GLU 685 7.319 -26.809 -18.131 308 HA GLU 39 HA GLU 685 9.289 -25.034 -19.165 309 HB2 GLU 39 HB2 GLU 685 10.694 -27.080 -19.295 310 HB3 GLU 39 HB3 GLU 685 10.048 -26.779 -17.687 311 HG2 GLU 39 HG2 GLU 685 9.967 -29.089 -17.992 312 HG3 GLU 39 HG3 GLU 685 8.327 -28.478 -17.948 313 H GLU 40 H GLU 686 7.161 -27.226 -20.885 314 HA GLU 40 HA GLU 686 8.579 -27.041 -23.403 315 HB2 GLU 40 HB2 GLU 686 6.386 -27.510 -24.497 316 HB3 GLU 40 HB3 GLU 686 6.994 -28.756 -23.397 317 HG2 GLU 40 HG2 GLU 686 5.368 -28.312 -21.795 318 HG3 GLU 40 HG3 GLU 686 4.955 -26.708 -22.466 319 H ASN 41 H ASN 687 6.162 -24.897 -21.915 320 HA ASN 41 HA ASN 687 6.030 -23.294 -24.423 321 HB2 ASN 41 HB2 ASN 687 4.375 -23.128 -21.921 322 HB3 ASN 41 HB3 ASN 687 4.062 -22.274 -23.361 323 HD21 ASN 41 HD21 ASN 687 1.672 -25.022 -23.197 324 HD22 ASN 41 HD22 ASN 687 2.060 -23.709 -22.142 325 H VAL 42 H VAL 688 8.042 -23.038 -21.799 326 HA VAL 42 HA VAL 688 7.699 -20.530 -20.665 327 HB VAL 42 HB VAL 688 10.361 -21.791 -21.308 328 HG11 VAL 42 HG11 VAL 688 10.654 -19.384 -20.793 329 HG12 VAL 42 HG12 VAL 688 9.662 -19.592 -19.334 330 HG13 VAL 42 HG13 VAL 688 11.246 -20.409 -19.511 331 HG21 VAL 42 HG21 VAL 688 8.725 -21.895 -18.827 332 HG22 VAL 42 HG22 VAL 688 8.854 -23.178 -20.055 333 HG23 VAL 42 HG23 VAL 688 10.299 -22.717 -19.211 334 HA PRO 43 HA PRO 689 8.542 -17.938 -24.289 335 HB2 PRO 43 HB2 PRO 689 7.301 -15.682 -23.383 336 HB3 PRO 43 HB3 PRO 689 6.346 -17.070 -23.953 337 HG2 PRO 43 HG2 PRO 689 7.064 -16.295 -21.147 338 HG3 PRO 43 HG3 PRO 689 5.453 -16.770 -21.768 339 HD2 PRO 43 HD2 PRO 689 7.154 -18.534 -20.479 340 HD3 PRO 43 HD3 PRO 689 6.073 -19.071 -21.731 341 H GLU 44 H GLU 690 9.692 -15.939 -24.576 342 HA GLU 44 HA GLU 690 12.070 -15.764 -22.913 343 HB2 GLU 44 HB2 GLU 690 11.024 -13.967 -25.169 344 HB3 GLU 44 HB3 GLU 690 12.619 -13.862 -24.435 345 HG2 GLU 44 HG2 GLU 690 12.954 -14.984 -26.456 346 HG3 GLU 44 HG3 GLU 690 13.096 -16.210 -25.207 347 H LYS 45 H LYS 691 9.048 -13.957 -23.327 348 HA LYS 45 HA LYS 691 9.571 -12.513 -20.802 349 HB2 LYS 45 HB2 LYS 691 8.407 -11.427 -23.380 350 HB3 LYS 45 HB3 LYS 691 8.220 -10.694 -21.830 351 HG2 LYS 45 HG2 LYS 691 10.669 -10.411 -21.571 352 HG3 LYS 45 HG3 LYS 691 10.948 -11.128 -23.152 353 HD2 LYS 45 HD2 LYS 691 9.017 -8.909 -23.322 354 HD3 LYS 45 HD3 LYS 691 10.505 -8.404 -22.527 355 HE2 LYS 45 HE2 LYS 691 11.836 -9.271 -24.449 356 HE3 LYS 45 HE3 LYS 691 10.353 -9.777 -25.257 357 HZ1 LYS 45 HZ1 LYS 691 11.029 -6.960 -24.557 358 HZ2 LYS 45 HZ2 LYS 691 11.102 -7.606 -26.051 359 HZ3 LYS 45 HZ3 LYS 691 9.657 -7.434 -25.310 360 H TYR 46 H TYR 692 8.452 -14.277 -19.888 361 HA TYR 46 HA TYR 692 5.491 -14.047 -20.123 362 HB2 TYR 46 HB2 TYR 692 5.776 -16.217 -19.398 363 HB3 TYR 46 HB3 TYR 692 7.349 -15.928 -18.712 364 HD1 TYR 46 HD1 TYR 692 3.692 -15.611 -18.097 365 HD2 TYR 46 HD2 TYR 692 7.675 -15.556 -16.441 366 HE1 TYR 46 HE1 TYR 692 2.746 -15.454 -15.759 367 HE2 TYR 46 HE2 TYR 692 6.734 -15.539 -14.150 368 HH TYR 46 HH TYR 692 4.856 -15.676 -12.948 369 H THR 47 H THR 693 4.333 -12.616 -19.191 370 HA THR 47 HA THR 693 5.304 -10.962 -16.932 371 HB THR 47 HB THR 693 2.986 -9.924 -17.376 372 HG1 THR 47 HG1 THR 693 2.467 -10.054 -19.671 373 HG21 THR 47 HG21 THR 693 3.865 -8.357 -18.968 374 HG22 THR 47 HG22 THR 693 5.076 -8.757 -17.726 375 HG23 THR 47 HG23 THR 693 5.211 -9.472 -19.358 376 H CYS 48 H CYS 694 4.501 -11.223 -14.937 377 HA CYS 48 HA CYS 694 2.644 -13.423 -14.367 378 HB2 CYS 48 HB2 CYS 694 3.510 -13.250 -12.180 379 HB3 CYS 48 HB3 CYS 694 4.869 -12.726 -13.057 380 H TYR 49 H TYR 695 0.589 -13.267 -13.402 381 HA TYR 49 HA TYR 695 -1.234 -11.315 -13.700 382 HB2 TYR 49 HB2 TYR 695 -2.367 -12.239 -12.010 383 HB3 TYR 49 HB3 TYR 695 -1.436 -13.573 -12.652 384 HD1 TYR 49 HD1 TYR 695 1.010 -13.906 -11.426 385 HD2 TYR 49 HD2 TYR 695 -2.491 -12.067 -9.658 386 HE1 TYR 49 HE1 TYR 695 1.913 -14.321 -9.178 387 HE2 TYR 49 HE2 TYR 695 -1.546 -12.473 -7.393 388 HH TYR 49 HH TYR 695 0.265 -13.237 -6.181 389 H VAL 50 H VAL 696 1.145 -11.063 -10.973 390 HA VAL 50 HA VAL 696 0.057 -8.688 -9.863 391 HB VAL 50 HB VAL 696 2.568 -10.239 -9.589 392 HG11 VAL 50 HG11 VAL 696 2.548 -7.360 -8.668 393 HG12 VAL 50 HG12 VAL 696 3.728 -8.615 -8.221 394 HG13 VAL 50 HG13 VAL 696 3.619 -8.080 -9.903 395 HG21 VAL 50 HG21 VAL 696 2.068 -10.184 -7.276 396 HG22 VAL 50 HG22 VAL 696 0.854 -8.896 -7.504 397 HG23 VAL 50 HG23 VAL 696 0.572 -10.520 -8.159 398 H CYS 51 H CYS 697 2.111 -9.115 -12.689 399 HA CYS 51 HA CYS 697 2.229 -6.223 -13.216 400 HB2 CYS 51 HB2 CYS 697 3.561 -8.521 -14.631 401 HB3 CYS 51 HB3 CYS 697 3.766 -6.822 -14.998 402 H GLN 52 H GLN 698 1.345 -9.283 -15.150 403 HA GLN 52 HA GLN 698 -0.015 -7.581 -17.067 404 HB2 GLN 52 HB2 GLN 698 -0.804 -9.712 -17.985 405 HB3 GLN 52 HB3 GLN 698 0.927 -9.537 -18.018 406 HG2 GLN 52 HG2 GLN 698 1.183 -11.245 -16.542 407 HG3 GLN 52 HG3 GLN 698 -0.298 -11.026 -15.728 408 HE21 GLN 52 HE21 GLN 698 1.161 -13.138 -17.885 409 HE22 GLN 52 HE22 GLN 698 -0.322 -13.853 -18.523 410 H ASP 53 H ASP 699 -1.184 -9.591 -14.412 411 HA ASP 53 HA ASP 699 -3.214 -9.988 -13.479 412 HB2 ASP 53 HB2 ASP 699 -3.440 -7.581 -13.028 413 HB3 ASP 53 HB3 ASP 699 -3.996 -7.328 -14.666 414 H1 ALA 1 H1 ALA 1 11.898 -15.051 -20.063 415 H2 ALA 1 H2 ALA 1 12.467 -16.584 -20.020 416 H3 ALA 1 H3 ALA 1 13.327 -15.338 -19.364 417 HA ALA 1 HA ALA 1 11.617 -14.970 -17.665 418 HB1 ALA 1 HB1 ALA 1 10.134 -17.355 -18.860 419 HB2 ALA 1 HB2 ALA 1 9.620 -16.279 -17.556 420 HB3 ALA 1 HB3 ALA 1 9.741 -15.649 -19.180 421 H ARG 2 H ARG 2 14.254 -16.508 -17.941 422 HA ARG 2 HA ARG 2 15.641 -17.861 -16.952 423 HB2 ARG 2 HB2 ARG 2 14.633 -16.253 -15.110 424 HB3 ARG 2 HB3 ARG 2 14.127 -17.768 -14.373 425 HG2 ARG 2 HG2 ARG 2 16.285 -18.519 -13.974 426 HG3 ARG 2 HG3 ARG 2 17.022 -17.441 -15.202 427 HD2 ARG 2 HD2 ARG 2 16.498 -15.484 -13.946 428 HD3 ARG 2 HD3 ARG 2 15.482 -16.387 -12.802 429 HE ARG 2 HE ARG 2 18.161 -17.370 -12.588 430 HH11 ARG 2 HH11 ARG 2 16.271 -14.471 -12.030 431 HH12 ARG 2 HH12 ARG 2 17.205 -14.022 -10.603 432 HH21 ARG 2 HH21 ARG 2 19.367 -16.603 -10.700 433 HH22 ARG 2 HH22 ARG 2 18.812 -15.101 -9.952 434 H THR 3 H THR 3 12.763 -19.115 -15.365 435 HA THR 3 HA THR 3 12.225 -21.119 -14.533 436 HB THR 3 HB THR 3 12.384 -23.109 -16.161 437 HG1 THR 3 HG1 THR 3 13.902 -22.145 -17.645 438 HG21 THR 3 HG21 THR 3 10.943 -20.508 -16.780 439 HG22 THR 3 HG22 THR 3 10.408 -22.139 -17.252 440 HG23 THR 3 HG23 THR 3 10.418 -21.712 -15.578 441 H MLY 4 H MLY 4 12.566 -23.217 -13.675 442 HA MLY 4 HA MLY 4 15.410 -23.793 -13.282 443 HB2 MLY 4 HB2 MLY 4 15.381 -23.441 -10.927 444 HB3 MLY 4 HB3 MLY 4 14.653 -22.014 -11.658 445 HG2 MLY 4 HG2 MLY 4 12.365 -22.979 -11.061 446 HG3 MLY 4 HG3 MLY 4 13.232 -24.243 -10.165 447 HD2 MLY 4 HD2 MLY 4 14.546 -22.023 -9.238 448 HD3 MLY 4 HD3 MLY 4 12.979 -21.293 -9.597 449 HE2 MLY 4 HE2 MLY 4 11.874 -23.024 -8.125 450 HE3 MLY 4 HE3 MLY 4 13.432 -23.757 -7.828 451 HH11 MLY 4 HH11 MLY 4 15.207 -22.472 -6.664 452 HH12 MLY 4 HH12 MLY 4 14.929 -20.847 -7.331 453 HH13 MLY 4 HH13 MLY 4 14.714 -21.150 -5.604 454 HH21 MLY 4 HH21 MLY 4 12.466 -20.121 -5.906 455 HH22 MLY 4 HH22 MLY 4 12.591 -20.036 -7.667 456 HH23 MLY 4 HH23 MLY 4 11.254 -20.916 -6.899 457 HZ MLY 4 HZ MLY 4 12.863 -22.500 -6.004 458 H GLN 5 H GLN 5 12.186 -25.132 -13.025 459 HA GLN 5 HA GLN 5 11.500 -27.274 -12.641 460 HB2 GLN 5 HB2 GLN 5 12.880 -27.004 -14.973 461 HB3 GLN 5 HB3 GLN 5 13.773 -28.323 -14.301 462 HG2 GLN 5 HG2 GLN 5 10.707 -28.341 -14.429 463 HG3 GLN 5 HG3 GLN 5 11.712 -28.844 -15.777 464 HE21 GLN 5 HE21 GLN 5 10.615 -29.783 -12.502 465 HE22 GLN 5 HE22 GLN 5 11.221 -31.426 -12.663 466 H THR 6 H THR 6 12.629 -26.728 -10.297 467 HA THR 6 HA THR 6 14.855 -28.356 -9.571 468 HB THR 6 HB THR 6 14.223 -26.397 -8.274 469 HG1 THR 6 HG1 THR 6 15.497 -27.788 -7.180 470 HG21 THR 6 HG21 THR 6 11.727 -26.686 -8.183 471 HG22 THR 6 HG22 THR 6 11.962 -28.052 -7.070 472 HG23 THR 6 HG23 THR 6 12.474 -26.425 -6.600 473 H ALA 7 H ALA 7 15.137 -30.411 -8.918 474 HA ALA 7 HA ALA 7 12.957 -32.309 -9.235 475 HB1 ALA 7 HB1 ALA 7 14.732 -33.965 -8.872 476 HB2 ALA 7 HB2 ALA 7 15.253 -32.735 -10.037 477 HB3 ALA 7 HB3 ALA 7 15.853 -32.689 -8.362 478 H ARG 8 H ARG 8 14.699 -30.943 -6.466 479 HA ARG 8 HA ARG 8 12.675 -31.810 -4.549 480 HB2 ARG 8 HB2 ARG 8 14.278 -33.838 -4.865 481 HB3 ARG 8 HB3 ARG 8 15.521 -32.828 -4.141 482 HG2 ARG 8 HG2 ARG 8 13.828 -32.590 -2.129 483 HG3 ARG 8 HG3 ARG 8 12.982 -33.942 -2.885 484 HD2 ARG 8 HD2 ARG 8 15.107 -35.259 -2.808 485 HD3 ARG 8 HD3 ARG 8 15.912 -33.910 -2.007 486 HE ARG 8 HE ARG 8 14.098 -35.862 -0.830 487 HH11 ARG 8 HH11 ARG 8 15.268 -32.545 -0.264 488 HH12 ARG 8 HH12 ARG 8 14.921 -32.711 1.452 489 HH21 ARG 8 HH21 ARG 8 13.724 -35.834 1.407 490 HH22 ARG 8 HH22 ARG 8 14.139 -34.363 2.292 491 H LYS 9 H LYS 9 12.713 -30.543 -2.711 492 HA LYS 9 HA LYS 9 14.486 -28.214 -2.491 493 HB2 LYS 9 HB2 LYS 9 12.435 -29.391 -0.558 494 HB3 LYS 9 HB3 LYS 9 13.244 -27.829 -0.367 495 HG2 LYS 9 HG2 LYS 9 12.297 -27.117 -2.591 496 HG3 LYS 9 HG3 LYS 9 11.314 -28.586 -2.603 497 HD2 LYS 9 HD2 LYS 9 11.231 -26.401 -0.474 498 HD3 LYS 9 HD3 LYS 9 10.073 -26.600 -1.798 499 HE2 LYS 9 HE2 LYS 9 9.412 -28.822 -0.924 500 HE3 LYS 9 HE3 LYS 9 10.566 -28.656 0.410 501 HZ1 LYS 9 HZ1 LYS 9 9.301 -26.752 1.216 502 HZ2 LYS 9 HZ2 LYS 9 8.287 -26.797 -0.078 503 HZ3 LYS 9 HZ3 LYS 9 8.266 -28.004 1.028 504 H SER 10 H SER 10 15.431 -27.828 -0.165 505 HA SER 10 HA SER 10 17.636 -29.547 0.328 506 HB2 SER 10 HB2 SER 10 17.900 -28.270 2.415 507 HB3 SER 10 HB3 SER 10 17.630 -27.223 1.015 508 HG SER 10 HG SER 10 16.356 -26.587 2.829 509 H THR 11 H THR 11 18.117 -30.812 2.207 510 HA THR 11 HA THR 11 16.880 -33.142 2.338 511 HB THR 11 HB THR 11 18.233 -31.905 4.745 512 HG1 THR 11 HG1 THR 11 20.090 -32.688 3.748 513 HG21 THR 11 HG21 THR 11 18.969 -34.252 5.165 514 HG22 THR 11 HG22 THR 11 17.213 -34.090 5.283 515 HG23 THR 11 HG23 THR 11 17.935 -34.809 3.826 516 HN1 NH2 12 H01 THR 11 14.862 -33.648 2.591 517 HN2 NH2 12 H02 THR 11 13.848 -33.203 3.946 Start of MODEL 7 1 H1 GLY -3 H1 GLY -3 12.365 -4.723 6.976 2 H2 GLY -3 H2 GLY -3 13.547 -5.029 8.063 3 H3 GLY -3 H3 GLY -3 12.411 -3.896 8.388 4 HA2 GLY -3 HA2 GLY -3 13.193 -2.481 6.600 5 HA3 GLY -3 HA3 GLY -3 14.472 -2.815 7.776 6 H HIS -2 H HIS -2 15.791 -2.125 5.882 7 HA HIS -2 HA HIS -2 17.234 -2.481 4.178 8 HB2 HIS -2 HB2 HIS -2 17.276 -5.333 5.188 9 HB3 HIS -2 HB3 HIS -2 18.543 -4.512 4.280 10 HD2 HIS -2 HD2 HIS -2 17.614 -5.329 7.750 11 HE1 HIS -2 HE1 HIS -2 20.192 -1.953 8.165 12 HE2 HIS -2 HE2 HIS -2 19.048 -3.863 9.408 13 H MET -1 H MET -1 14.562 -2.571 3.271 14 HA MET -1 HA MET -1 14.009 -4.702 1.451 15 HB2 MET -1 HB2 MET -1 12.456 -3.068 0.410 16 HB3 MET -1 HB3 MET -1 12.249 -3.232 2.164 17 HG2 MET -1 HG2 MET -1 13.524 -1.058 2.408 18 HG3 MET -1 HG3 MET -1 13.594 -0.947 0.647 19 HE1 MET -1 HE1 MET -1 12.552 1.431 2.375 20 HE2 MET -1 HE2 MET -1 12.577 1.440 0.594 21 HE3 MET -1 HE3 MET -1 11.099 1.902 1.465 22 H ASP 0 H ASP 646 15.819 -1.779 0.993 23 HA ASP 0 HA ASP 646 16.791 -0.702 -0.698 24 HB2 ASP 0 HB2 ASP 646 17.552 -3.542 -1.468 25 HB3 ASP 0 HB3 ASP 646 18.179 -2.106 -2.260 26 H ARG 1 H ARG 647 14.107 -1.849 -1.346 27 HA ARG 1 HA ARG 647 12.490 -1.741 -3.053 28 HB2 ARG 1 HB2 ARG 647 12.306 0.439 -3.950 29 HB3 ARG 1 HB3 ARG 647 13.072 0.499 -2.350 30 HG2 ARG 1 HG2 ARG 647 13.913 2.216 -3.785 31 HG3 ARG 1 HG3 ARG 647 15.126 1.161 -3.090 32 HD2 ARG 1 HD2 ARG 647 15.706 1.684 -5.405 33 HD3 ARG 1 HD3 ARG 647 15.346 -0.022 -5.197 34 HE ARG 1 HE ARG 647 13.391 0.157 -6.448 35 HH11 ARG 1 HH11 ARG 647 14.775 3.376 -6.165 36 HH12 ARG 1 HH12 ARG 647 13.747 4.031 -7.412 37 HH21 ARG 1 HH21 ARG 647 12.118 1.055 -8.028 38 HH22 ARG 1 HH22 ARG 647 12.280 2.736 -8.443 39 H TYR 2 H TYR 648 15.074 -3.162 -3.772 40 HA TYR 2 HA TYR 648 15.255 -3.017 -6.626 41 HB2 TYR 2 HB2 TYR 648 16.715 -4.092 -4.368 42 HB3 TYR 2 HB3 TYR 648 16.483 -5.386 -5.532 43 HD1 TYR 2 HD1 TYR 648 17.963 -2.031 -4.996 44 HD2 TYR 2 HD2 TYR 648 17.600 -5.381 -7.696 45 HE1 TYR 2 HE1 TYR 648 19.831 -1.130 -6.351 46 HE2 TYR 2 HE2 TYR 648 19.476 -4.474 -9.063 47 HH TYR 2 HH TYR 648 21.185 -1.434 -8.208 48 H ASP 3 H ASP 649 15.118 -4.789 -8.116 49 HA ASP 3 HA ASP 649 12.835 -6.623 -7.738 50 HB2 ASP 3 HB2 ASP 649 14.762 -6.300 -10.063 51 HB3 ASP 3 HB3 ASP 649 13.330 -7.333 -10.025 52 H PHE 4 H PHE 650 13.155 -8.374 -6.535 53 HA PHE 4 HA PHE 650 15.669 -9.981 -6.728 54 HB2 PHE 4 HB2 PHE 650 13.762 -9.448 -4.406 55 HB3 PHE 4 HB3 PHE 650 14.991 -10.674 -4.388 56 HD1 PHE 4 HD1 PHE 650 14.310 -7.428 -3.319 57 HD2 PHE 4 HD2 PHE 650 17.477 -9.749 -5.116 58 HE1 PHE 4 HE1 PHE 650 15.996 -5.871 -2.375 59 HE2 PHE 4 HE2 PHE 650 19.155 -8.176 -4.180 60 HZ PHE 4 HZ PHE 650 18.421 -6.254 -2.783 61 H GLU 5 H GLU 651 15.498 -12.202 -6.296 62 HA GLU 5 HA GLU 651 13.429 -13.584 -7.779 63 HB2 GLU 5 HB2 GLU 651 15.469 -14.791 -5.842 64 HB3 GLU 5 HB3 GLU 651 14.818 -15.536 -7.294 65 HG2 GLU 5 HG2 GLU 651 16.793 -13.234 -7.324 66 HG3 GLU 5 HG3 GLU 651 17.182 -14.942 -7.450 67 H VAL 6 H VAL 652 11.484 -13.360 -6.971 68 HA VAL 6 HA VAL 652 10.841 -14.057 -4.112 69 HB VAL 6 HB VAL 652 9.940 -11.788 -5.900 70 HG11 VAL 6 HG11 VAL 652 8.477 -11.059 -3.993 71 HG12 VAL 6 HG12 VAL 652 7.915 -12.558 -4.733 72 HG13 VAL 6 HG13 VAL 652 8.787 -12.609 -3.182 73 HG21 VAL 6 HG21 VAL 652 11.174 -11.737 -3.111 74 HG22 VAL 6 HG22 VAL 652 12.036 -11.407 -4.623 75 HG23 VAL 6 HG23 VAL 652 10.735 -10.333 -4.119 76 H VAL 7 H VAL 653 9.840 -15.941 -4.120 77 HA VAL 7 HA VAL 653 8.228 -16.756 -6.397 78 HB VAL 7 HB VAL 653 8.435 -17.970 -3.603 79 HG11 VAL 7 HG11 VAL 653 7.434 -19.979 -4.657 80 HG12 VAL 7 HG12 VAL 653 6.263 -18.655 -4.624 81 HG13 VAL 7 HG13 VAL 653 7.104 -19.023 -6.134 82 HG21 VAL 7 HG21 VAL 653 9.746 -19.700 -4.753 83 HG22 VAL 7 HG22 VAL 653 9.508 -18.869 -6.310 84 HG23 VAL 7 HG23 VAL 653 10.489 -18.099 -5.049 85 H ARG 8 H ARG 654 6.504 -15.551 -6.823 86 HA ARG 8 HA ARG 654 4.333 -15.229 -4.786 87 HB2 ARG 8 HB2 ARG 654 5.824 -13.094 -6.229 88 HB3 ARG 8 HB3 ARG 654 4.071 -13.019 -6.462 89 HG2 ARG 8 HG2 ARG 654 3.766 -12.959 -4.019 90 HG3 ARG 8 HG3 ARG 654 5.478 -13.209 -3.773 91 HD2 ARG 8 HD2 ARG 654 5.991 -10.944 -4.510 92 HD3 ARG 8 HD3 ARG 654 4.670 -10.981 -5.657 93 HE ARG 8 HE ARG 654 3.341 -9.879 -4.101 94 HH11 ARG 8 HH11 ARG 654 5.854 -11.442 -2.181 95 HH12 ARG 8 HH12 ARG 654 5.259 -10.733 -0.713 96 HH21 ARG 8 HH21 ARG 654 2.670 -9.035 -2.204 97 HH22 ARG 8 HH22 ARG 654 3.509 -9.399 -0.727 98 H CYS 9 H CYS 655 3.415 -16.972 -5.532 99 HA CYS 9 HA CYS 655 2.263 -16.993 -8.315 100 HB2 CYS 9 HB2 CYS 655 3.291 -19.087 -7.400 101 HB3 CYS 9 HB3 CYS 655 2.146 -19.061 -6.114 102 H ILE 10 H ILE 656 -0.019 -17.151 -8.652 103 HA ILE 10 HA ILE 656 -1.834 -15.645 -7.137 104 HB ILE 10 HB ILE 656 -3.629 -17.058 -8.211 105 HG12 ILE 10 HG12 ILE 656 -2.998 -18.465 -10.144 106 HG13 ILE 10 HG13 ILE 656 -1.328 -18.525 -9.588 107 HG21 ILE 10 HG21 ILE 656 -1.398 -15.798 -9.806 108 HG22 ILE 10 HG22 ILE 656 -3.008 -16.175 -10.483 109 HG23 ILE 10 HG23 ILE 656 -2.844 -15.026 -9.138 110 HD11 ILE 10 HD11 ILE 656 -3.640 -19.520 -7.877 111 HD12 ILE 10 HD12 ILE 656 -2.942 -20.508 -9.170 112 HD13 ILE 10 HD13 ILE 656 -1.914 -20.002 -7.841 113 H CYS 11 H CYS 657 -0.491 -18.573 -6.360 114 HA CYS 11 HA CYS 657 -2.546 -19.794 -4.727 115 HB2 CYS 11 HB2 CYS 657 0.354 -20.162 -5.421 116 HB3 CYS 11 HB3 CYS 657 -0.266 -20.988 -3.919 117 H GLU 12 H GLU 658 -0.429 -17.072 -4.342 118 HA GLU 12 HA GLU 658 0.650 -15.996 -2.758 119 HB2 GLU 12 HB2 GLU 658 -2.075 -16.359 -1.474 120 HB3 GLU 12 HB3 GLU 658 -0.904 -15.114 -0.988 121 HG2 GLU 12 HG2 GLU 658 -2.242 -15.416 -3.705 122 HG3 GLU 12 HG3 GLU 658 -2.615 -14.191 -2.500 123 H VAL 13 H VAL 659 1.469 -18.297 -2.857 124 HA VAL 13 HA VAL 659 2.494 -18.923 -0.164 125 HB VAL 13 HB VAL 659 0.795 -20.606 -1.251 126 HG11 VAL 13 HG11 VAL 659 1.692 -22.323 -2.644 127 HG12 VAL 13 HG12 VAL 659 1.902 -20.751 -3.449 128 HG13 VAL 13 HG13 VAL 659 3.285 -21.544 -2.703 129 HG21 VAL 13 HG21 VAL 659 1.997 -22.508 -0.202 130 HG22 VAL 13 HG22 VAL 659 3.455 -21.505 -0.061 131 HG23 VAL 13 HG23 VAL 659 1.979 -21.066 0.816 132 H GLN 14 H GLN 660 4.642 -18.965 -0.077 133 HA GLN 14 HA GLN 660 6.264 -18.576 -2.509 134 HB2 GLN 14 HB2 GLN 660 6.963 -18.655 0.413 135 HB3 GLN 14 HB3 GLN 660 8.170 -18.535 -0.875 136 HG2 GLN 14 HG2 GLN 660 7.642 -16.387 0.203 137 HG3 GLN 14 HG3 GLN 660 7.370 -16.370 -1.524 138 HE21 GLN 14 HE21 GLN 660 5.209 -15.991 -2.293 139 HE22 GLN 14 HE22 GLN 660 3.894 -15.617 -1.172 140 H GLU 15 H GLU 661 4.890 -21.321 -1.512 141 HA GLU 15 HA GLU 661 6.899 -23.268 -1.171 142 HB2 GLU 15 HB2 GLU 661 4.518 -23.623 -0.622 143 HB3 GLU 15 HB3 GLU 661 4.119 -23.569 -2.345 144 HG2 GLU 15 HG2 GLU 661 4.130 -25.848 -1.525 145 HG3 GLU 15 HG3 GLU 661 5.370 -25.622 -2.749 146 H GLU 16 H GLU 662 7.624 -24.873 -2.680 147 HA GLU 16 HA GLU 662 7.847 -23.928 -5.400 148 HB2 GLU 16 HB2 GLU 662 9.937 -25.643 -4.488 149 HB3 GLU 16 HB3 GLU 662 9.911 -24.595 -5.847 150 HG2 GLU 16 HG2 GLU 662 10.383 -22.656 -4.761 151 HG3 GLU 16 HG3 GLU 662 9.861 -23.247 -3.187 152 H ASN 17 H ASN 663 6.835 -24.986 -6.340 153 HA ASN 17 HA ASN 663 6.018 -27.825 -6.376 154 HB2 ASN 17 HB2 ASN 663 5.622 -25.584 -8.350 155 HB3 ASN 17 HB3 ASN 663 5.372 -27.230 -8.850 156 HD21 ASN 17 HD21 ASN 663 2.023 -26.484 -8.044 157 HD22 ASN 17 HD22 ASN 663 3.155 -26.529 -9.352 158 H ASP 18 H ASP 664 6.553 -29.117 -8.431 159 HA ASP 18 HA ASP 664 9.366 -29.484 -8.770 160 HB2 ASP 18 HB2 ASP 664 7.002 -30.438 -10.424 161 HB3 ASP 18 HB3 ASP 664 8.656 -30.931 -10.657 162 H PHE 19 H PHE 665 7.046 -27.710 -10.814 163 HA PHE 19 HA PHE 665 9.329 -26.522 -12.262 164 HB2 PHE 19 HB2 PHE 665 7.706 -27.717 -13.799 165 HB3 PHE 19 HB3 PHE 665 6.414 -26.767 -13.114 166 HD1 PHE 19 HD1 PHE 665 5.647 -25.360 -14.790 167 HD2 PHE 19 HD2 PHE 665 9.910 -25.950 -14.313 168 HE1 PHE 19 HE1 PHE 665 6.107 -23.740 -16.615 169 HE2 PHE 19 HE2 PHE 665 10.338 -24.270 -16.066 170 HZ PHE 19 HZ PHE 665 8.431 -23.267 -17.265 171 H MET 20 H MET 666 9.806 -24.381 -12.143 172 HA MET 20 HA MET 666 7.669 -22.523 -11.468 173 HB2 MET 20 HB2 MET 666 10.347 -22.146 -10.117 174 HB3 MET 20 HB3 MET 666 8.978 -21.175 -9.863 175 HG2 MET 20 HG2 MET 666 7.892 -23.516 -9.192 176 HG3 MET 20 HG3 MET 666 9.566 -24.043 -9.064 177 HE1 MET 20 HE1 MET 666 7.935 -20.445 -7.537 178 HE2 MET 20 HE2 MET 666 6.841 -21.802 -7.860 179 HE3 MET 20 HE3 MET 666 7.312 -21.449 -6.183 180 H ILE 21 H ILE 667 7.980 -20.367 -12.234 181 HA ILE 21 HA ILE 667 10.105 -19.977 -14.279 182 HB ILE 21 HB ILE 667 7.316 -18.891 -14.640 183 HG12 ILE 21 HG12 ILE 667 8.162 -21.200 -16.371 184 HG13 ILE 21 HG13 ILE 667 7.592 -21.599 -14.750 185 HG21 ILE 21 HG21 ILE 667 7.652 -18.557 -17.025 186 HG22 ILE 21 HG22 ILE 667 9.086 -17.900 -16.237 187 HG23 ILE 21 HG23 ILE 667 9.127 -19.452 -17.086 188 HD11 ILE 21 HD11 ILE 667 5.754 -21.624 -16.159 189 HD12 ILE 21 HD12 ILE 667 5.607 -20.193 -15.086 190 HD13 ILE 21 HD13 ILE 667 6.104 -20.022 -16.797 191 H GLN 22 H GLN 668 10.545 -17.638 -14.770 192 HA GLN 22 HA GLN 668 9.886 -15.956 -12.350 193 HB2 GLN 22 HB2 GLN 668 12.275 -16.392 -12.327 194 HB3 GLN 22 HB3 GLN 668 12.360 -16.145 -14.089 195 HG2 GLN 22 HG2 GLN 668 12.109 -13.738 -13.908 196 HG3 GLN 22 HG3 GLN 668 11.469 -13.936 -12.298 197 HE21 GLN 22 HE21 GLN 668 13.046 -13.669 -10.521 198 HE22 GLN 22 HE22 GLN 668 14.767 -13.766 -10.854 199 H CYS 23 H CYS 669 8.906 -14.051 -12.610 200 HA CYS 23 HA CYS 669 7.844 -13.186 -15.163 201 HB2 CYS 23 HB2 CYS 669 6.846 -12.709 -12.924 202 HB3 CYS 23 HB3 CYS 669 8.260 -11.761 -12.494 203 H GLU 24 H GLU 670 8.702 -11.927 -16.668 204 HA GLU 24 HA GLU 670 11.504 -11.132 -16.452 205 HB2 GLU 24 HB2 GLU 670 11.233 -10.390 -18.681 206 HB3 GLU 24 HB3 GLU 670 10.466 -11.954 -18.540 207 HG2 GLU 24 HG2 GLU 670 8.591 -10.953 -19.487 208 HG3 GLU 24 HG3 GLU 670 8.357 -10.297 -17.917 209 H GLU 25 H GLU 671 8.564 -9.542 -15.556 210 HA GLU 25 HA GLU 671 9.639 -6.824 -15.922 211 HB2 GLU 25 HB2 GLU 671 7.341 -7.476 -16.431 212 HB3 GLU 25 HB3 GLU 671 7.044 -7.797 -14.779 213 HG2 GLU 25 HG2 GLU 671 6.130 -5.612 -15.625 214 HG3 GLU 25 HG3 GLU 671 7.039 -5.561 -14.130 215 H CYS 26 H CYS 672 8.351 -8.623 -13.115 216 HA CYS 26 HA CYS 672 9.942 -6.901 -11.372 217 HB2 CYS 26 HB2 CYS 672 8.460 -7.411 -9.694 218 HB3 CYS 26 HB3 CYS 672 7.510 -6.851 -11.083 219 H GLN 27 H GLN 673 10.381 -9.922 -12.585 220 HA GLN 27 HA GLN 673 11.752 -11.538 -12.143 221 HB2 GLN 27 HB2 GLN 673 12.703 -9.528 -10.259 222 HB3 GLN 27 HB3 GLN 673 12.933 -11.035 -9.601 223 HG2 GLN 27 HG2 GLN 673 14.846 -11.286 -10.692 224 HG3 GLN 27 HG3 GLN 673 14.041 -11.367 -12.224 225 HE21 GLN 27 HE21 GLN 673 13.328 -9.172 -13.240 226 HE22 GLN 27 HE22 GLN 673 14.547 -7.924 -13.144 227 H CYS 28 H CYS 674 9.059 -11.189 -10.303 228 HA CYS 28 HA CYS 674 9.654 -13.090 -8.295 229 HB2 CYS 28 HB2 CYS 674 7.196 -13.142 -7.978 230 HB3 CYS 28 HB3 CYS 674 7.909 -11.463 -8.077 231 HG CYS 28 HG CYS 674 5.555 -11.459 -9.248 232 H TRP 29 H TRP 675 8.937 -15.229 -7.971 233 HA TRP 29 HA TRP 675 8.868 -16.794 -10.442 234 HB2 TRP 29 HB2 TRP 675 9.863 -17.210 -7.667 235 HB3 TRP 29 HB3 TRP 675 9.604 -18.610 -8.721 236 HD1 TRP 29 HD1 TRP 675 11.765 -15.519 -8.304 237 HE1 TRP 29 HE1 TRP 675 14.035 -15.847 -9.593 238 HE3 TRP 29 HE3 TRP 675 10.608 -19.767 -10.822 239 HZ2 TRP 29 HZ2 TRP 675 15.119 -17.817 -11.333 240 HZ3 TRP 29 HZ3 TRP 675 12.303 -20.834 -12.357 241 HH2 TRP 29 HH2 TRP 675 14.563 -19.857 -12.581 242 H GLN 30 H GLN 676 7.394 -18.468 -10.885 243 HA GLN 30 HA GLN 676 5.251 -18.856 -8.840 244 HB2 GLN 30 HB2 GLN 676 4.790 -18.302 -11.806 245 HB3 GLN 30 HB3 GLN 676 3.539 -18.702 -10.628 246 HG2 GLN 30 HG2 GLN 676 3.335 -16.405 -10.810 247 HG3 GLN 30 HG3 GLN 676 4.224 -16.759 -9.317 248 HE21 GLN 30 HE21 GLN 676 5.270 -14.744 -9.242 249 HE22 GLN 30 HE22 GLN 676 6.502 -14.323 -10.451 250 H HIS 31 H HIS 677 3.896 -20.709 -9.303 251 HA HIS 31 HA HIS 677 5.403 -22.953 -10.475 252 HB2 HIS 31 HB2 HIS 677 2.415 -22.918 -9.872 253 HB3 HIS 31 HB3 HIS 677 3.525 -24.252 -9.891 254 HD2 HIS 31 HD2 HIS 677 5.646 -23.548 -7.899 255 HE1 HIS 31 HE1 HIS 677 2.742 -22.386 -4.993 256 HE2 HIS 31 HE2 HIS 677 5.140 -23.049 -5.337 257 H GLY 32 H GLY 678 5.529 -23.022 -12.686 258 HA2 GLY 32 HA2 GLY 678 4.031 -21.385 -14.330 259 HA3 GLY 32 HA3 GLY 678 4.752 -22.947 -14.891 260 H VAL 33 H VAL 679 3.082 -24.580 -13.309 261 HA VAL 33 HA VAL 679 0.924 -24.925 -15.177 262 HB VAL 33 HB VAL 679 2.135 -26.664 -14.032 263 HG11 VAL 33 HG11 VAL 679 1.500 -27.384 -11.746 264 HG12 VAL 33 HG12 VAL 679 2.163 -25.743 -11.698 265 HG13 VAL 33 HG13 VAL 679 0.411 -25.994 -11.586 266 HG21 VAL 33 HG21 VAL 679 -0.876 -26.854 -13.584 267 HG22 VAL 33 HG22 VAL 679 -0.034 -27.136 -15.124 268 HG23 VAL 33 HG23 VAL 679 0.262 -28.205 -13.748 269 H CYS 34 H CYS 680 1.148 -22.992 -12.325 270 HA CYS 34 HA CYS 680 -1.734 -22.613 -11.790 271 HB2 CYS 34 HB2 CYS 680 0.769 -21.221 -10.812 272 HB3 CYS 34 HB3 CYS 680 -0.835 -20.854 -10.337 273 H MET 35 H MET 681 0.869 -21.188 -13.648 274 HA MET 35 HA MET 681 -0.522 -18.651 -14.317 275 HB2 MET 35 HB2 MET 681 2.281 -19.695 -14.860 276 HB3 MET 35 HB3 MET 681 1.696 -18.105 -15.220 277 HG2 MET 35 HG2 MET 681 1.655 -19.044 -12.360 278 HG3 MET 35 HG3 MET 681 3.073 -18.325 -13.119 279 HE1 MET 35 HE1 MET 681 -0.785 -17.695 -12.469 280 HE2 MET 35 HE2 MET 681 0.105 -17.350 -10.964 281 HE3 MET 35 HE3 MET 681 -0.676 -16.030 -11.874 282 H GLY 36 H GLY 682 -0.273 -21.797 -15.678 283 HA2 GLY 36 HA2 GLY 682 -1.172 -22.624 -17.618 284 HA3 GLY 36 HA3 GLY 682 -1.410 -20.989 -18.250 285 H LEU 37 H LEU 683 1.661 -22.111 -16.963 286 HA LEU 37 HA LEU 683 2.700 -22.499 -19.702 287 HB2 LEU 37 HB2 LEU 683 4.416 -21.231 -17.655 288 HB3 LEU 37 HB3 LEU 683 4.632 -21.080 -19.360 289 HG LEU 37 HG LEU 683 2.167 -19.674 -18.436 290 HD11 LEU 37 HD11 LEU 683 4.751 -18.427 -17.477 291 HD12 LEU 37 HD12 LEU 683 3.076 -17.960 -17.178 292 HD13 LEU 37 HD13 LEU 683 3.730 -19.406 -16.398 293 HD21 LEU 37 HD21 LEU 683 3.195 -17.885 -19.652 294 HD22 LEU 37 HD22 LEU 683 4.774 -18.739 -19.666 295 HD23 LEU 37 HD23 LEU 683 3.368 -19.399 -20.584 296 H LEU 38 H LEU 684 4.674 -23.794 -19.757 297 HA LEU 38 HA LEU 684 5.200 -25.675 -17.595 298 HB2 LEU 38 HB2 LEU 684 3.855 -26.124 -20.263 299 HB3 LEU 38 HB3 LEU 684 5.243 -27.119 -19.964 300 HG LEU 38 HG LEU 684 2.955 -28.033 -19.377 301 HD11 LEU 38 HD11 LEU 684 5.178 -28.978 -18.849 302 HD12 LEU 38 HD12 LEU 684 5.220 -28.048 -17.346 303 HD13 LEU 38 HD13 LEU 684 4.004 -29.342 -17.560 304 HD21 LEU 38 HD21 LEU 684 3.272 -26.504 -16.791 305 HD22 LEU 38 HD22 LEU 684 2.112 -26.111 -18.086 306 HD23 LEU 38 HD23 LEU 684 2.009 -27.671 -17.235 307 H GLU 39 H GLU 685 7.306 -26.800 -18.142 308 HA GLU 39 HA GLU 685 9.297 -25.077 -19.199 309 HB2 GLU 39 HB2 GLU 685 10.664 -27.155 -19.317 310 HB3 GLU 39 HB3 GLU 685 10.004 -26.849 -17.717 311 HG2 GLU 39 HG2 GLU 685 9.878 -29.153 -18.041 312 HG3 GLU 39 HG3 GLU 685 8.244 -28.521 -18.026 313 H GLU 40 H GLU 686 7.144 -27.243 -20.920 314 HA GLU 40 HA GLU 686 8.563 -27.071 -23.437 315 HB2 GLU 40 HB2 GLU 686 6.364 -27.513 -24.537 316 HB3 GLU 40 HB3 GLU 686 6.949 -28.769 -23.438 317 HG2 GLU 40 HG2 GLU 686 5.329 -28.306 -21.839 318 HG3 GLU 40 HG3 GLU 686 4.940 -26.695 -22.509 319 H ASN 41 H ASN 687 6.177 -24.896 -21.943 320 HA ASN 41 HA ASN 687 6.075 -23.278 -24.443 321 HB2 ASN 41 HB2 ASN 687 4.406 -23.109 -21.954 322 HB3 ASN 41 HB3 ASN 687 4.110 -22.248 -23.396 323 HD21 ASN 41 HD21 ASN 687 1.693 -24.979 -23.246 324 HD22 ASN 41 HD22 ASN 687 2.093 -23.670 -22.183 325 H VAL 42 H VAL 688 8.075 -23.058 -21.790 326 HA VAL 42 HA VAL 688 7.726 -20.541 -20.673 327 HB VAL 42 HB VAL 688 10.383 -21.855 -21.249 328 HG11 VAL 42 HG11 VAL 688 10.750 -19.441 -20.819 329 HG12 VAL 42 HG12 VAL 688 9.729 -19.552 -19.371 330 HG13 VAL 42 HG13 VAL 688 11.287 -20.423 -19.480 331 HG21 VAL 42 HG21 VAL 688 8.790 -23.125 -19.931 332 HG22 VAL 42 HG22 VAL 688 10.254 -22.698 -19.105 333 HG23 VAL 42 HG23 VAL 688 8.726 -21.776 -18.770 334 HA PRO 43 HA PRO 689 8.551 -17.999 -24.324 335 HB2 PRO 43 HB2 PRO 689 7.371 -15.694 -23.400 336 HB3 PRO 43 HB3 PRO 689 6.389 -17.072 -23.951 337 HG2 PRO 43 HG2 PRO 689 7.154 -16.304 -21.151 338 HG3 PRO 43 HG3 PRO 689 5.537 -16.761 -21.762 339 HD2 PRO 43 HD2 PRO 689 7.209 -18.543 -20.489 340 HD3 PRO 43 HD3 PRO 689 6.128 -19.067 -21.746 341 H GLU 44 H GLU 690 9.629 -15.800 -24.554 342 HA GLU 44 HA GLU 690 12.083 -15.761 -22.891 343 HB2 GLU 44 HB2 GLU 690 11.157 -14.334 -25.391 344 HB3 GLU 44 HB3 GLU 690 12.321 -13.516 -24.372 345 HG2 GLU 44 HG2 GLU 690 12.741 -16.205 -25.749 346 HG3 GLU 44 HG3 GLU 690 13.483 -14.666 -26.127 347 H LYS 45 H LYS 691 9.085 -13.928 -23.351 348 HA LYS 45 HA LYS 691 9.576 -12.514 -20.792 349 HB2 LYS 45 HB2 LYS 691 8.434 -11.416 -23.385 350 HB3 LYS 45 HB3 LYS 691 8.221 -10.704 -21.829 351 HG2 LYS 45 HG2 LYS 691 10.710 -10.468 -21.570 352 HG3 LYS 45 HG3 LYS 691 10.925 -11.046 -23.230 353 HD2 LYS 45 HD2 LYS 691 9.526 -9.189 -24.083 354 HD3 LYS 45 HD3 LYS 691 9.250 -8.612 -22.444 355 HE2 LYS 45 HE2 LYS 691 11.903 -8.616 -23.956 356 HE3 LYS 45 HE3 LYS 691 10.889 -7.231 -23.564 357 HZ1 LYS 45 HZ1 LYS 691 11.256 -7.938 -21.122 358 HZ2 LYS 45 HZ2 LYS 691 12.498 -8.847 -21.674 359 HZ3 LYS 45 HZ3 LYS 691 12.527 -7.233 -21.904 360 H TYR 46 H TYR 692 8.473 -14.268 -19.884 361 HA TYR 46 HA TYR 692 5.513 -14.066 -20.120 362 HB2 TYR 46 HB2 TYR 692 5.851 -16.231 -19.400 363 HB3 TYR 46 HB3 TYR 692 7.392 -15.913 -18.677 364 HD1 TYR 46 HD1 TYR 692 3.721 -15.595 -18.127 365 HD2 TYR 46 HD2 TYR 692 7.678 -15.560 -16.435 366 HE1 TYR 46 HE1 TYR 692 2.741 -15.423 -15.805 367 HE2 TYR 46 HE2 TYR 692 6.714 -15.524 -14.150 368 HH TYR 46 HH TYR 692 4.826 -15.664 -12.974 369 H THR 47 H THR 693 4.339 -12.640 -19.225 370 HA THR 47 HA THR 693 5.245 -10.922 -16.981 371 HB THR 47 HB THR 693 2.854 -9.997 -17.514 372 HG1 THR 47 HG1 THR 693 2.211 -11.304 -19.172 373 HG21 THR 47 HG21 THR 693 4.915 -8.694 -17.636 374 HG22 THR 47 HG22 THR 693 5.231 -9.351 -19.264 375 HG23 THR 47 HG23 THR 693 3.803 -8.325 -18.967 376 H CYS 48 H CYS 694 4.508 -11.214 -14.953 377 HA CYS 48 HA CYS 694 2.674 -13.407 -14.384 378 HB2 CYS 48 HB2 CYS 694 3.488 -13.205 -12.193 379 HB3 CYS 48 HB3 CYS 694 4.863 -12.700 -13.053 380 H TYR 49 H TYR 695 0.617 -13.290 -13.440 381 HA TYR 49 HA TYR 695 -1.216 -11.376 -13.729 382 HB2 TYR 49 HB2 TYR 695 -2.323 -12.217 -12.009 383 HB3 TYR 49 HB3 TYR 695 -1.429 -13.587 -12.647 384 HD1 TYR 49 HD1 TYR 695 1.035 -13.894 -11.421 385 HD2 TYR 49 HD2 TYR 695 -2.488 -12.102 -9.659 386 HE1 TYR 49 HE1 TYR 695 1.917 -14.340 -9.175 387 HE2 TYR 49 HE2 TYR 695 -1.573 -12.548 -7.386 388 HH TYR 49 HH TYR 695 0.121 -13.560 -6.169 389 H VAL 50 H VAL 696 1.052 -11.097 -10.931 390 HA VAL 50 HA VAL 696 -0.079 -8.720 -9.937 391 HB VAL 50 HB VAL 696 2.451 -10.259 -9.553 392 HG11 VAL 50 HG11 VAL 696 3.511 -8.110 -9.834 393 HG12 VAL 50 HG12 VAL 696 2.399 -7.381 -8.636 394 HG13 VAL 50 HG13 VAL 696 3.563 -8.634 -8.147 395 HG21 VAL 50 HG21 VAL 696 0.425 -10.542 -8.159 396 HG22 VAL 50 HG22 VAL 696 1.892 -10.197 -7.246 397 HG23 VAL 50 HG23 VAL 696 0.686 -8.910 -7.509 398 H CYS 51 H CYS 697 2.135 -9.112 -12.645 399 HA CYS 51 HA CYS 697 2.295 -6.206 -13.077 400 HB2 CYS 51 HB2 CYS 697 3.578 -8.478 -14.575 401 HB3 CYS 51 HB3 CYS 697 3.780 -6.774 -14.920 402 H GLN 52 H GLN 698 1.340 -9.199 -15.067 403 HA GLN 52 HA GLN 698 -0.176 -7.411 -16.778 404 HB2 GLN 52 HB2 GLN 698 -0.879 -9.479 -17.896 405 HB3 GLN 52 HB3 GLN 698 0.843 -9.234 -17.917 406 HG2 GLN 52 HG2 GLN 698 1.204 -11.068 -16.585 407 HG3 GLN 52 HG3 GLN 698 -0.340 -11.108 -15.851 408 HE21 GLN 52 HE21 GLN 698 -1.899 -12.655 -16.875 409 HE22 GLN 52 HE22 GLN 698 -1.532 -13.367 -18.427 410 H ASP 53 H ASP 699 -1.409 -9.910 -14.514 411 HA ASP 53 HA ASP 699 -3.866 -8.569 -14.117 412 HB2 ASP 53 HB2 ASP 699 -4.199 -9.178 -16.525 413 HB3 ASP 53 HB3 ASP 699 -4.070 -10.860 -16.145 414 H1 ALA 1 H1 ALA 1 13.440 -15.389 -19.254 415 H2 ALA 1 H2 ALA 1 12.028 -15.137 -20.009 416 H3 ALA 1 H3 ALA 1 12.587 -16.667 -19.855 417 HA ALA 1 HA ALA 1 11.667 -14.912 -17.622 418 HB1 ALA 1 HB1 ALA 1 9.664 -16.289 -17.516 419 HB2 ALA 1 HB2 ALA 1 9.822 -15.643 -19.130 420 HB3 ALA 1 HB3 ALA 1 10.226 -17.343 -18.807 421 H ARG 2 H ARG 2 14.288 -16.119 -17.460 422 HA ARG 2 HA ARG 2 15.706 -17.585 -16.650 423 HB2 ARG 2 HB2 ARG 2 14.816 -15.994 -14.787 424 HB3 ARG 2 HB3 ARG 2 14.289 -17.498 -14.004 425 HG2 ARG 2 HG2 ARG 2 16.436 -18.339 -13.799 426 HG3 ARG 2 HG3 ARG 2 17.110 -17.225 -14.991 427 HD2 ARG 2 HD2 ARG 2 16.874 -15.340 -13.457 428 HD3 ARG 2 HD3 ARG 2 16.137 -16.350 -12.225 429 HE ARG 2 HE ARG 2 18.859 -16.955 -13.379 430 HH11 ARG 2 HH11 ARG 2 17.092 -16.232 -10.379 431 HH12 ARG 2 HH12 ARG 2 18.481 -16.676 -9.429 432 HH21 ARG 2 HH21 ARG 2 20.530 -17.443 -12.063 433 HH22 ARG 2 HH22 ARG 2 20.360 -17.302 -10.341 434 H THR 3 H THR 3 12.830 -18.934 -15.122 435 HA THR 3 HA THR 3 12.239 -20.952 -14.435 436 HB THR 3 HB THR 3 12.463 -22.886 -16.141 437 HG1 THR 3 HG1 THR 3 14.019 -21.821 -17.522 438 HG21 THR 3 HG21 THR 3 10.462 -21.673 -15.555 439 HG22 THR 3 HG22 THR 3 10.989 -20.277 -16.535 440 HG23 THR 3 HG23 THR 3 10.534 -21.836 -17.267 441 H MLY 4 H MLY 4 12.410 -22.931 -13.611 442 HA MLY 4 HA MLY 4 15.038 -24.141 -13.172 443 HB2 MLY 4 HB2 MLY 4 15.190 -23.672 -10.871 444 HB3 MLY 4 HB3 MLY 4 14.652 -22.129 -11.533 445 HG2 MLY 4 HG2 MLY 4 12.269 -22.880 -10.929 446 HG3 MLY 4 HG3 MLY 4 13.023 -24.187 -10.002 447 HD2 MLY 4 HD2 MLY 4 14.496 -21.986 -9.171 448 HD3 MLY 4 HD3 MLY 4 12.914 -21.253 -9.456 449 HE2 MLY 4 HE2 MLY 4 11.890 -23.009 -7.932 450 HE3 MLY 4 HE3 MLY 4 13.478 -23.687 -7.677 451 HH11 MLY 4 HH11 MLY 4 14.881 -20.716 -7.319 452 HH12 MLY 4 HH12 MLY 4 14.748 -20.961 -5.574 453 HH13 MLY 4 HH13 MLY 4 15.249 -22.303 -6.596 454 HH21 MLY 4 HH21 MLY 4 11.232 -20.930 -6.732 455 HH22 MLY 4 HH22 MLY 4 12.436 -20.057 -5.802 456 HH23 MLY 4 HH23 MLY 4 12.504 -19.998 -7.568 457 HZ MLY 4 HZ MLY 4 12.934 -22.392 -5.851 458 H GLN 5 H GLN 5 14.826 -26.109 -11.803 459 HA GLN 5 HA GLN 5 12.085 -27.170 -11.542 460 HB2 GLN 5 HB2 GLN 5 14.392 -28.714 -12.759 461 HB3 GLN 5 HB3 GLN 5 12.871 -29.431 -12.212 462 HG2 GLN 5 HG2 GLN 5 11.623 -28.029 -13.843 463 HG3 GLN 5 HG3 GLN 5 13.151 -27.349 -14.425 464 HE21 GLN 5 HE21 GLN 5 12.005 -28.306 -16.492 465 HE22 GLN 5 HE22 GLN 5 12.488 -29.948 -16.883 466 H THR 6 H THR 6 11.698 -28.066 -9.606 467 HA THR 6 HA THR 6 13.765 -27.830 -7.551 468 HB THR 6 HB THR 6 10.905 -28.828 -7.330 469 HG1 THR 6 HG1 THR 6 10.458 -26.820 -7.359 470 HG21 THR 6 HG21 THR 6 12.914 -27.997 -5.185 471 HG22 THR 6 HG22 THR 6 11.185 -28.316 -4.915 472 HG23 THR 6 HG23 THR 6 12.245 -29.630 -5.419 473 H ALA 7 H ALA 7 15.295 -29.347 -7.300 474 HA ALA 7 HA ALA 7 14.796 -32.210 -7.721 475 HB1 ALA 7 HB1 ALA 7 16.986 -31.207 -8.267 476 HB2 ALA 7 HB2 ALA 7 17.201 -30.730 -6.569 477 HB3 ALA 7 HB3 ALA 7 17.140 -32.451 -7.009 478 H ARG 8 H ARG 8 14.515 -33.758 -6.130 479 HA ARG 8 HA ARG 8 14.105 -32.823 -3.303 480 HB2 ARG 8 HB2 ARG 8 12.301 -34.713 -4.860 481 HB3 ARG 8 HB3 ARG 8 12.093 -34.199 -3.180 482 HG2 ARG 8 HG2 ARG 8 11.943 -31.807 -3.999 483 HG3 ARG 8 HG3 ARG 8 11.911 -32.441 -5.655 484 HD2 ARG 8 HD2 ARG 8 9.908 -33.826 -5.021 485 HD3 ARG 8 HD3 ARG 8 9.877 -33.008 -3.460 486 HE ARG 8 HE ARG 8 9.058 -31.956 -6.085 487 HH11 ARG 8 HH11 ARG 8 9.948 -30.826 -2.851 488 HH12 ARG 8 HH12 ARG 8 9.164 -29.292 -3.132 489 HH21 ARG 8 HH21 ARG 8 8.173 -30.148 -6.327 490 HH22 ARG 8 HH22 ARG 8 8.165 -28.878 -5.066 491 H LYS 9 H LYS 9 16.352 -34.330 -4.620 492 HA LYS 9 HA LYS 9 16.418 -36.999 -3.534 493 HB2 LYS 9 HB2 LYS 9 18.759 -37.012 -4.152 494 HB3 LYS 9 HB3 LYS 9 17.782 -36.294 -5.430 495 HG2 LYS 9 HG2 LYS 9 18.476 -33.996 -4.326 496 HG3 LYS 9 HG3 LYS 9 19.746 -34.939 -3.547 497 HD2 LYS 9 HD2 LYS 9 19.212 -34.686 -6.540 498 HD3 LYS 9 HD3 LYS 9 20.480 -33.839 -5.671 499 HE2 LYS 9 HE2 LYS 9 20.337 -36.892 -5.831 500 HE3 LYS 9 HE3 LYS 9 21.144 -35.902 -7.048 501 HZ1 LYS 9 HZ1 LYS 9 21.903 -35.977 -4.158 502 HZ2 LYS 9 HZ2 LYS 9 22.734 -36.639 -5.395 503 HZ3 LYS 9 HZ3 LYS 9 22.600 -35.018 -5.290 504 H SER 10 H SER 10 17.423 -37.865 -1.731 505 HA SER 10 HA SER 10 17.075 -36.279 0.655 506 HB2 SER 10 HB2 SER 10 17.603 -38.390 1.818 507 HB3 SER 10 HB3 SER 10 16.368 -38.590 0.560 508 HG SER 10 HG SER 10 17.975 -40.251 0.495 509 H THR 11 H THR 11 19.922 -37.099 -1.193 510 HA THR 11 HA THR 11 21.677 -35.656 0.730 511 HB THR 11 HB THR 11 23.482 -37.287 0.318 512 HG1 THR 11 HG1 THR 11 22.428 -38.199 -1.560 513 HG21 THR 11 HG21 THR 11 21.058 -38.572 1.640 514 HG22 THR 11 HG22 THR 11 22.763 -38.989 1.895 515 HG23 THR 11 HG23 THR 11 22.160 -37.406 2.413 516 HN1 NH2 12 H01 THR 11 21.552 -37.112 -2.514 517 HN2 NH2 12 H02 THR 11 22.449 -35.813 -3.267 Start of MODEL 8 1 H1 GLY -3 H1 GLY -3 7.717 -5.055 2.860 2 H2 GLY -3 H2 GLY -3 6.330 -5.539 3.586 3 H3 GLY -3 H3 GLY -3 7.720 -6.355 3.857 4 HA2 GLY -3 HA2 GLY -3 6.311 -7.611 2.344 5 HA3 GLY -3 HA3 GLY -3 6.282 -6.201 1.271 6 H HIS -2 H HIS -2 7.292 -9.022 0.909 7 HA HIS -2 HA HIS -2 9.995 -9.408 1.109 8 HB2 HIS -2 HB2 HIS -2 8.277 -10.387 -1.203 9 HB3 HIS -2 HB3 HIS -2 9.706 -11.170 -0.539 10 HD2 HIS -2 HD2 HIS -2 9.285 -12.961 1.320 11 HE1 HIS -2 HE1 HIS -2 5.206 -12.090 2.218 12 HE2 HIS -2 HE2 HIS -2 7.137 -13.686 2.664 13 H MET -1 H MET -1 8.463 -7.581 -1.479 14 HA MET -1 HA MET -1 10.611 -7.491 -3.356 15 HB2 MET -1 HB2 MET -1 9.402 -5.109 -3.806 16 HB3 MET -1 HB3 MET -1 8.769 -6.653 -4.389 17 HG2 MET -1 HG2 MET -1 7.900 -5.348 -1.776 18 HG3 MET -1 HG3 MET -1 7.171 -4.961 -3.328 19 HE1 MET -1 HE1 MET -1 5.144 -8.049 -4.365 20 HE2 MET -1 HE2 MET -1 5.586 -6.363 -4.697 21 HE3 MET -1 HE3 MET -1 6.779 -7.667 -4.929 22 H ASP 0 H ASP 646 10.183 -5.563 -0.382 23 HA ASP 0 HA ASP 646 11.178 -3.627 0.341 24 HB2 ASP 0 HB2 ASP 646 13.514 -5.088 -0.934 25 HB3 ASP 0 HB3 ASP 646 13.749 -3.483 -0.321 26 H ARG 1 H ARG 647 10.008 -3.683 -2.307 27 HA ARG 1 HA ARG 647 9.434 -2.376 -4.151 28 HB2 ARG 1 HB2 ARG 647 9.414 -0.138 -4.023 29 HB3 ARG 1 HB3 ARG 647 9.468 -0.648 -2.356 30 HG2 ARG 1 HG2 ARG 647 12.211 -0.211 -3.265 31 HG3 ARG 1 HG3 ARG 647 11.244 1.115 -3.890 32 HD2 ARG 1 HD2 ARG 647 10.425 1.640 -1.650 33 HD3 ARG 1 HD3 ARG 647 11.256 0.258 -0.967 34 HE ARG 1 HE ARG 647 12.419 2.831 -1.854 35 HH11 ARG 1 HH11 ARG 647 13.195 -0.407 -0.741 36 HH12 ARG 1 HH12 ARG 647 14.772 0.073 -0.163 37 HH21 ARG 1 HH21 ARG 647 14.456 3.363 -1.154 38 HH22 ARG 1 HH22 ARG 647 15.481 2.153 -0.434 39 H TYR 2 H TYR 648 12.366 -3.567 -3.692 40 HA TYR 2 HA TYR 648 13.572 -2.772 -6.280 41 HB2 TYR 2 HB2 TYR 648 14.283 -4.443 -3.879 42 HB3 TYR 2 HB3 TYR 648 15.119 -4.755 -5.397 43 HD1 TYR 2 HD1 TYR 648 14.236 -1.981 -3.020 44 HD2 TYR 2 HD2 TYR 648 17.042 -3.434 -5.942 45 HE1 TYR 2 HE1 TYR 648 15.678 -0.027 -2.571 46 HE2 TYR 2 HE2 TYR 648 18.533 -1.497 -5.463 47 HH TYR 2 HH TYR 648 18.832 0.442 -4.251 48 H ASP 3 H ASP 649 14.183 -4.467 -7.828 49 HA ASP 3 HA ASP 649 12.140 -6.632 -8.100 50 HB2 ASP 3 HB2 ASP 649 14.287 -5.736 -10.044 51 HB3 ASP 3 HB3 ASP 649 13.044 -6.955 -10.326 52 H PHE 4 H PHE 650 12.649 -8.336 -6.880 53 HA PHE 4 HA PHE 650 15.336 -9.599 -7.041 54 HB2 PHE 4 HB2 PHE 650 13.466 -9.163 -4.671 55 HB3 PHE 4 HB3 PHE 650 14.803 -10.274 -4.649 56 HD1 PHE 4 HD1 PHE 650 16.960 -8.554 -6.024 57 HD2 PHE 4 HD2 PHE 650 14.044 -7.665 -2.967 58 HE1 PHE 4 HE1 PHE 650 18.429 -6.778 -5.132 59 HE2 PHE 4 HE2 PHE 650 15.545 -5.914 -2.053 60 HZ PHE 4 HZ PHE 650 17.739 -5.458 -3.140 61 H GLU 5 H GLU 651 15.329 -11.891 -6.503 62 HA GLU 5 HA GLU 651 13.204 -13.439 -7.707 63 HB2 GLU 5 HB2 GLU 651 14.467 -15.322 -6.266 64 HB3 GLU 5 HB3 GLU 651 15.178 -14.759 -7.758 65 HG2 GLU 5 HG2 GLU 651 16.711 -13.301 -6.477 66 HG3 GLU 5 HG3 GLU 651 15.897 -13.738 -4.968 67 H VAL 6 H VAL 652 11.328 -13.283 -6.936 68 HA VAL 6 HA VAL 652 10.832 -13.974 -4.094 69 HB VAL 6 HB VAL 652 9.762 -11.682 -5.785 70 HG11 VAL 6 HG11 VAL 652 8.744 -12.559 -3.029 71 HG12 VAL 6 HG12 VAL 652 8.309 -11.042 -3.850 72 HG13 VAL 6 HG13 VAL 652 7.819 -12.583 -4.555 73 HG21 VAL 6 HG21 VAL 652 10.510 -10.225 -3.959 74 HG22 VAL 6 HG22 VAL 652 11.119 -11.639 -3.059 75 HG23 VAL 6 HG23 VAL 652 11.848 -11.165 -4.603 76 H VAL 7 H VAL 653 9.803 -15.853 -4.044 77 HA VAL 7 HA VAL 653 8.285 -16.725 -6.380 78 HB VAL 7 HB VAL 653 8.555 -17.958 -3.599 79 HG11 VAL 7 HG11 VAL 653 7.658 -20.004 -4.706 80 HG12 VAL 7 HG12 VAL 653 6.414 -18.744 -4.603 81 HG13 VAL 7 HG13 VAL 653 7.238 -19.009 -6.134 82 HG21 VAL 7 HG21 VAL 653 9.619 -18.880 -6.302 83 HG22 VAL 7 HG22 VAL 653 10.595 -17.968 -5.129 84 HG23 VAL 7 HG23 VAL 653 9.960 -19.599 -4.724 85 H ARG 8 H ARG 654 6.559 -15.494 -6.788 86 HA ARG 8 HA ARG 654 4.349 -15.244 -4.760 87 HB2 ARG 8 HB2 ARG 654 5.820 -13.085 -6.203 88 HB3 ARG 8 HB3 ARG 654 4.070 -13.033 -6.441 89 HG2 ARG 8 HG2 ARG 654 3.757 -12.983 -3.998 90 HG3 ARG 8 HG3 ARG 654 5.474 -13.228 -3.748 91 HD2 ARG 8 HD2 ARG 654 5.975 -10.956 -4.530 92 HD3 ARG 8 HD3 ARG 654 4.600 -10.990 -5.615 93 HE ARG 8 HE ARG 654 3.359 -9.899 -3.976 94 HH11 ARG 8 HH11 ARG 654 5.928 -11.575 -2.258 95 HH12 ARG 8 HH12 ARG 654 5.460 -10.935 -0.713 96 HH21 ARG 8 HH21 ARG 654 2.804 -9.112 -1.977 97 HH22 ARG 8 HH22 ARG 654 3.721 -9.566 -0.573 98 H CYS 9 H CYS 655 3.458 -16.989 -5.488 99 HA CYS 9 HA CYS 655 2.269 -17.001 -8.252 100 HB2 CYS 9 HB2 CYS 655 3.314 -19.091 -7.360 101 HB3 CYS 9 HB3 CYS 655 2.175 -19.080 -6.064 102 H ILE 10 H ILE 656 -0.008 -17.175 -8.557 103 HA ILE 10 HA ILE 656 -1.800 -15.656 -7.031 104 HB ILE 10 HB ILE 656 -3.613 -17.043 -8.113 105 HG12 ILE 10 HG12 ILE 656 -2.985 -18.441 -10.058 106 HG13 ILE 10 HG13 ILE 656 -1.312 -18.513 -9.505 107 HG21 ILE 10 HG21 ILE 656 -2.986 -16.150 -10.379 108 HG22 ILE 10 HG22 ILE 656 -2.795 -15.011 -9.038 109 HG23 ILE 10 HG23 ILE 656 -1.363 -15.804 -9.707 110 HD11 ILE 10 HD11 ILE 656 -2.914 -20.503 -9.096 111 HD12 ILE 10 HD12 ILE 656 -1.907 -20.000 -7.755 112 HD13 ILE 10 HD13 ILE 656 -3.634 -19.522 -7.808 113 H CYS 11 H CYS 657 -0.457 -18.571 -6.269 114 HA CYS 11 HA CYS 657 -2.513 -19.830 -4.662 115 HB2 CYS 11 HB2 CYS 657 0.387 -20.184 -5.362 116 HB3 CYS 11 HB3 CYS 657 -0.231 -21.033 -3.870 117 H GLU 12 H GLU 658 -0.419 -17.097 -4.210 118 HA GLU 12 HA GLU 658 0.617 -16.034 -2.576 119 HB2 GLU 12 HB2 GLU 658 -2.038 -16.690 -1.237 120 HB3 GLU 12 HB3 GLU 658 -0.902 -15.460 -0.619 121 HG2 GLU 12 HG2 GLU 658 -1.064 -14.289 -2.833 122 HG3 GLU 12 HG3 GLU 658 -2.331 -15.427 -3.308 123 H VAL 13 H VAL 659 1.557 -18.410 -2.831 124 HA VAL 13 HA VAL 659 2.614 -19.051 -0.161 125 HB VAL 13 HB VAL 659 0.895 -20.722 -1.204 126 HG11 VAL 13 HG11 VAL 659 1.764 -22.460 -2.604 127 HG12 VAL 13 HG12 VAL 659 1.939 -20.894 -3.426 128 HG13 VAL 13 HG13 VAL 659 3.350 -21.665 -2.713 129 HG21 VAL 13 HG21 VAL 659 2.127 -21.176 0.840 130 HG22 VAL 13 HG22 VAL 659 2.124 -22.626 -0.172 131 HG23 VAL 13 HG23 VAL 659 3.583 -21.615 -0.073 132 H GLN 14 H GLN 660 4.741 -19.006 -0.096 133 HA GLN 14 HA GLN 660 6.358 -18.607 -2.519 134 HB2 GLN 14 HB2 GLN 660 7.068 -18.708 0.400 135 HB3 GLN 14 HB3 GLN 660 8.256 -18.586 -0.895 136 HG2 GLN 14 HG2 GLN 660 7.754 -16.417 0.151 137 HG3 GLN 14 HG3 GLN 660 7.424 -16.430 -1.564 138 HE21 GLN 14 HE21 GLN 660 5.206 -16.101 -2.269 139 HE22 GLN 14 HE22 GLN 660 3.946 -15.704 -1.090 140 H GLU 15 H GLU 661 5.010 -21.348 -1.665 141 HA GLU 15 HA GLU 661 7.048 -23.302 -1.210 142 HB2 GLU 15 HB2 GLU 661 4.687 -23.632 -0.546 143 HB3 GLU 15 HB3 GLU 661 4.212 -23.627 -2.243 144 HG2 GLU 15 HG2 GLU 661 4.259 -25.888 -1.356 145 HG3 GLU 15 HG3 GLU 661 5.425 -25.693 -2.654 146 H GLU 16 H GLU 662 7.597 -24.990 -2.777 147 HA GLU 16 HA GLU 662 7.766 -24.016 -5.470 148 HB2 GLU 16 HB2 GLU 662 9.900 -25.780 -4.851 149 HB3 GLU 16 HB3 GLU 662 9.770 -24.494 -5.966 150 HG2 GLU 16 HG2 GLU 662 11.164 -23.400 -4.721 151 HG3 GLU 16 HG3 GLU 662 9.741 -22.869 -3.893 152 H ASN 17 H ASN 663 6.693 -25.071 -6.435 153 HA ASN 17 HA ASN 663 5.963 -27.904 -6.419 154 HB2 ASN 17 HB2 ASN 663 5.505 -25.730 -8.478 155 HB3 ASN 17 HB3 ASN 663 5.187 -27.404 -8.846 156 HD21 ASN 17 HD21 ASN 663 1.913 -26.404 -8.010 157 HD22 ASN 17 HD22 ASN 663 3.019 -26.522 -9.339 158 H ASP 18 H ASP 664 6.473 -29.240 -8.461 159 HA ASP 18 HA ASP 664 9.227 -29.683 -8.906 160 HB2 ASP 18 HB2 ASP 664 6.799 -30.311 -10.647 161 HB3 ASP 18 HB3 ASP 664 8.406 -30.917 -10.924 162 H PHE 19 H PHE 665 7.024 -27.592 -10.708 163 HA PHE 19 HA PHE 665 9.302 -26.495 -12.218 164 HB2 PHE 19 HB2 PHE 665 7.697 -27.700 -13.779 165 HB3 PHE 19 HB3 PHE 665 6.393 -26.764 -13.108 166 HD1 PHE 19 HD1 PHE 665 5.635 -25.333 -14.765 167 HD2 PHE 19 HD2 PHE 665 9.889 -25.959 -14.289 168 HE1 PHE 19 HE1 PHE 665 6.104 -23.721 -16.599 169 HE2 PHE 19 HE2 PHE 665 10.337 -24.293 -16.052 170 HZ PHE 19 HZ PHE 665 8.428 -23.273 -17.261 171 H MET 20 H MET 666 9.767 -24.361 -12.128 172 HA MET 20 HA MET 666 7.628 -22.507 -11.476 173 HB2 MET 20 HB2 MET 666 10.312 -22.132 -10.164 174 HB3 MET 20 HB3 MET 666 8.963 -21.144 -9.888 175 HG2 MET 20 HG2 MET 666 7.901 -23.463 -9.138 176 HG3 MET 20 HG3 MET 666 9.570 -23.988 -9.011 177 HE1 MET 20 HE1 MET 666 7.280 -21.448 -6.195 178 HE2 MET 20 HE2 MET 666 7.767 -20.437 -7.611 179 HE3 MET 20 HE3 MET 666 6.836 -21.915 -7.848 180 H ILE 21 H ILE 667 7.963 -20.333 -12.237 181 HA ILE 21 HA ILE 667 10.100 -19.969 -14.284 182 HB ILE 21 HB ILE 667 7.323 -18.871 -14.645 183 HG12 ILE 21 HG12 ILE 667 8.155 -21.191 -16.375 184 HG13 ILE 21 HG13 ILE 667 7.595 -21.590 -14.749 185 HG21 ILE 21 HG21 ILE 667 9.187 -19.448 -17.058 186 HG22 ILE 21 HG22 ILE 667 7.682 -18.593 -17.059 187 HG23 ILE 21 HG23 ILE 667 9.073 -17.883 -16.243 188 HD11 ILE 21 HD11 ILE 667 5.613 -20.180 -15.066 189 HD12 ILE 21 HD12 ILE 667 6.098 -20.005 -16.783 190 HD13 ILE 21 HD13 ILE 667 5.752 -21.607 -16.144 191 H GLN 22 H GLN 668 10.542 -17.621 -14.783 192 HA GLN 22 HA GLN 668 9.905 -15.937 -12.356 193 HB2 GLN 22 HB2 GLN 668 12.292 -16.368 -12.378 194 HB3 GLN 22 HB3 GLN 668 12.356 -16.095 -14.138 195 HG2 GLN 22 HG2 GLN 668 12.077 -13.693 -13.891 196 HG3 GLN 22 HG3 GLN 668 11.486 -13.936 -12.262 197 HE21 GLN 22 HE21 GLN 668 13.112 -13.671 -10.537 198 HE22 GLN 22 HE22 GLN 668 14.818 -13.610 -10.972 199 H CYS 23 H CYS 669 8.915 -14.018 -12.602 200 HA CYS 23 HA CYS 669 7.827 -13.163 -15.150 201 HB2 CYS 23 HB2 CYS 669 6.840 -12.686 -12.906 202 HB3 CYS 23 HB3 CYS 669 8.262 -11.737 -12.492 203 H GLU 24 H GLU 670 8.689 -11.933 -16.669 204 HA GLU 24 HA GLU 670 11.496 -11.132 -16.438 205 HB2 GLU 24 HB2 GLU 670 11.234 -10.412 -18.680 206 HB3 GLU 24 HB3 GLU 670 10.460 -11.980 -18.541 207 HG2 GLU 24 HG2 GLU 670 8.593 -10.955 -19.499 208 HG3 GLU 24 HG3 GLU 670 8.361 -10.315 -17.926 209 H GLU 25 H GLU 671 8.555 -9.556 -15.557 210 HA GLU 25 HA GLU 671 9.612 -6.833 -15.946 211 HB2 GLU 25 HB2 GLU 671 7.311 -7.494 -16.434 212 HB3 GLU 25 HB3 GLU 671 7.028 -7.805 -14.775 213 HG2 GLU 25 HG2 GLU 671 6.102 -5.631 -15.632 214 HG3 GLU 25 HG3 GLU 671 7.022 -5.570 -14.145 215 H CYS 26 H CYS 672 8.345 -8.622 -13.126 216 HA CYS 26 HA CYS 672 9.946 -6.883 -11.406 217 HB2 CYS 26 HB2 CYS 672 8.468 -7.358 -9.723 218 HB3 CYS 26 HB3 CYS 672 7.513 -6.824 -11.118 219 H GLN 27 H GLN 673 10.386 -9.902 -12.589 220 HA GLN 27 HA GLN 673 11.764 -11.515 -12.141 221 HB2 GLN 27 HB2 GLN 673 12.708 -9.448 -10.318 222 HB3 GLN 27 HB3 GLN 673 12.948 -10.942 -9.604 223 HG2 GLN 27 HG2 GLN 673 14.856 -11.267 -10.690 224 HG3 GLN 27 HG3 GLN 673 14.055 -11.329 -12.230 225 HE21 GLN 27 HE21 GLN 673 13.424 -9.175 -13.315 226 HE22 GLN 27 HE22 GLN 673 14.640 -7.926 -13.191 227 H CYS 28 H CYS 674 9.091 -11.168 -10.283 228 HA CYS 28 HA CYS 674 9.684 -13.064 -8.263 229 HB2 CYS 28 HB2 CYS 674 7.218 -13.103 -7.969 230 HB3 CYS 28 HB3 CYS 674 7.946 -11.426 -8.082 231 HG CYS 28 HG CYS 674 5.607 -11.401 -9.254 232 H TRP 29 H TRP 675 8.957 -15.193 -7.935 233 HA TRP 29 HA TRP 675 8.890 -16.761 -10.411 234 HB2 TRP 29 HB2 TRP 675 9.918 -17.167 -7.634 235 HB3 TRP 29 HB3 TRP 675 9.652 -18.572 -8.683 236 HD1 TRP 29 HD1 TRP 675 11.892 -15.523 -8.238 237 HE1 TRP 29 HE1 TRP 675 14.069 -15.838 -9.617 238 HE3 TRP 29 HE3 TRP 675 10.600 -19.708 -10.841 239 HZ2 TRP 29 HZ2 TRP 675 15.100 -17.741 -11.438 240 HZ3 TRP 29 HZ3 TRP 675 12.233 -20.724 -12.441 241 HH2 TRP 29 HH2 TRP 675 14.490 -19.758 -12.727 242 H GLN 30 H GLN 676 7.410 -18.456 -10.855 243 HA GLN 30 HA GLN 676 5.274 -18.837 -8.797 244 HB2 GLN 30 HB2 GLN 676 4.810 -18.290 -11.771 245 HB3 GLN 30 HB3 GLN 676 3.562 -18.682 -10.586 246 HG2 GLN 30 HG2 GLN 676 3.364 -16.394 -10.780 247 HG3 GLN 30 HG3 GLN 676 4.256 -16.738 -9.287 248 HE21 GLN 30 HE21 GLN 676 5.277 -14.712 -9.230 249 HE22 GLN 30 HE22 GLN 676 6.512 -14.284 -10.439 250 H HIS 31 H HIS 677 3.897 -20.697 -9.271 251 HA HIS 31 HA HIS 677 5.400 -22.934 -10.454 252 HB2 HIS 31 HB2 HIS 677 2.410 -22.915 -9.858 253 HB3 HIS 31 HB3 HIS 677 3.521 -24.252 -9.905 254 HD2 HIS 31 HD2 HIS 677 5.643 -23.635 -7.959 255 HE1 HIS 31 HE1 HIS 677 2.819 -22.435 -4.979 256 HE2 HIS 31 HE2 HIS 677 5.189 -23.139 -5.359 257 H GLY 32 H GLY 678 5.531 -23.005 -12.675 258 HA2 GLY 32 HA2 GLY 678 4.029 -21.358 -14.316 259 HA3 GLY 32 HA3 GLY 678 4.746 -22.925 -14.881 260 H VAL 33 H VAL 679 3.078 -24.559 -13.277 261 HA VAL 33 HA VAL 679 0.923 -24.896 -15.151 262 HB VAL 33 HB VAL 679 2.133 -26.639 -14.019 263 HG11 VAL 33 HG11 VAL 679 2.153 -25.724 -11.684 264 HG12 VAL 33 HG12 VAL 679 0.405 -25.980 -11.569 265 HG13 VAL 33 HG13 VAL 679 1.500 -27.370 -11.737 266 HG21 VAL 33 HG21 VAL 679 -0.877 -26.844 -13.567 267 HG22 VAL 33 HG22 VAL 679 -0.035 -27.103 -15.115 268 HG23 VAL 33 HG23 VAL 679 0.269 -28.186 -13.749 269 H CYS 34 H CYS 680 1.153 -22.954 -12.313 270 HA CYS 34 HA CYS 680 -1.725 -22.575 -11.747 271 HB2 CYS 34 HB2 CYS 680 0.786 -21.198 -10.773 272 HB3 CYS 34 HB3 CYS 680 -0.821 -20.824 -10.293 273 H MET 35 H MET 681 0.859 -21.168 -13.640 274 HA MET 35 HA MET 681 -0.528 -18.625 -14.300 275 HB2 MET 35 HB2 MET 681 2.271 -19.681 -14.851 276 HB3 MET 35 HB3 MET 681 1.689 -18.091 -15.209 277 HG2 MET 35 HG2 MET 681 1.665 -19.058 -12.350 278 HG3 MET 35 HG3 MET 681 3.077 -18.333 -13.101 279 HE1 MET 35 HE1 MET 681 -0.655 -16.045 -11.785 280 HE2 MET 35 HE2 MET 681 -0.788 -17.679 -12.448 281 HE3 MET 35 HE3 MET 681 0.106 -17.416 -10.930 282 H GLY 36 H GLY 682 -0.281 -21.774 -15.660 283 HA2 GLY 36 HA2 GLY 682 -1.188 -22.603 -17.603 284 HA3 GLY 36 HA3 GLY 682 -1.417 -20.968 -18.236 285 H LEU 37 H LEU 683 1.648 -22.110 -16.949 286 HA LEU 37 HA LEU 683 2.687 -22.498 -19.689 287 HB2 LEU 37 HB2 LEU 683 4.415 -21.238 -17.642 288 HB3 LEU 37 HB3 LEU 683 4.626 -21.087 -19.343 289 HG LEU 37 HG LEU 683 2.163 -19.673 -18.432 290 HD11 LEU 37 HD11 LEU 683 3.060 -17.970 -17.162 291 HD12 LEU 37 HD12 LEU 683 3.723 -19.411 -16.385 292 HD13 LEU 37 HD13 LEU 683 4.739 -18.426 -17.455 293 HD21 LEU 37 HD21 LEU 683 3.216 -17.887 -19.639 294 HD22 LEU 37 HD22 LEU 683 4.780 -18.767 -19.652 295 HD23 LEU 37 HD23 LEU 683 3.361 -19.399 -20.575 296 H LEU 38 H LEU 684 4.655 -23.799 -19.736 297 HA LEU 38 HA LEU 684 5.192 -25.678 -17.578 298 HB2 LEU 38 HB2 LEU 684 3.847 -26.139 -20.248 299 HB3 LEU 38 HB3 LEU 684 5.230 -27.134 -19.929 300 HG LEU 38 HG LEU 684 2.930 -28.033 -19.356 301 HD11 LEU 38 HD11 LEU 684 3.977 -29.344 -17.534 302 HD12 LEU 38 HD12 LEU 684 5.140 -28.999 -18.847 303 HD13 LEU 38 HD13 LEU 684 5.215 -28.070 -17.341 304 HD21 LEU 38 HD21 LEU 684 3.265 -26.504 -16.769 305 HD22 LEU 38 HD22 LEU 684 2.094 -26.116 -18.052 306 HD23 LEU 38 HD23 LEU 684 2.000 -27.670 -17.201 307 H GLU 39 H GLU 685 7.297 -26.802 -18.131 308 HA GLU 39 HA GLU 685 9.279 -25.081 -19.199 309 HB2 GLU 39 HB2 GLU 685 10.648 -27.160 -19.326 310 HB3 GLU 39 HB3 GLU 685 9.997 -26.852 -17.725 311 HG2 GLU 39 HG2 GLU 685 9.865 -29.161 -18.039 312 HG3 GLU 39 HG3 GLU 685 8.236 -28.519 -18.015 313 H GLU 40 H GLU 686 7.126 -27.257 -20.910 314 HA GLU 40 HA GLU 686 8.527 -27.090 -23.435 315 HB2 GLU 40 HB2 GLU 686 6.323 -27.528 -24.517 316 HB3 GLU 40 HB3 GLU 686 6.919 -28.783 -23.425 317 HG2 GLU 40 HG2 GLU 686 5.307 -28.317 -21.806 318 HG3 GLU 40 HG3 GLU 686 4.908 -26.710 -22.485 319 H ASN 41 H ASN 687 6.153 -24.909 -21.935 320 HA ASN 41 HA ASN 687 6.043 -23.287 -24.439 321 HB2 ASN 41 HB2 ASN 687 4.388 -23.125 -21.938 322 HB3 ASN 41 HB3 ASN 687 4.080 -22.260 -23.378 323 HD21 ASN 41 HD21 ASN 687 1.673 -24.999 -23.209 324 HD22 ASN 41 HD22 ASN 687 2.072 -23.693 -22.150 325 H VAL 42 H VAL 688 8.055 -23.067 -21.798 326 HA VAL 42 HA VAL 688 7.706 -20.551 -20.678 327 HB VAL 42 HB VAL 688 10.363 -21.854 -21.266 328 HG11 VAL 42 HG11 VAL 688 10.717 -19.439 -20.836 329 HG12 VAL 42 HG12 VAL 688 9.703 -19.558 -19.383 330 HG13 VAL 42 HG13 VAL 688 11.264 -20.418 -19.507 331 HG21 VAL 42 HG21 VAL 688 8.772 -21.766 -18.745 332 HG22 VAL 42 HG22 VAL 688 8.744 -23.109 -19.912 333 HG23 VAL 42 HG23 VAL 688 10.257 -22.724 -19.158 334 HA PRO 43 HA PRO 689 8.590 -17.950 -24.290 335 HB2 PRO 43 HB2 PRO 689 7.357 -15.692 -23.384 336 HB3 PRO 43 HB3 PRO 689 6.397 -17.074 -23.952 337 HG2 PRO 43 HG2 PRO 689 7.128 -16.313 -21.140 338 HG3 PRO 43 HG3 PRO 689 5.514 -16.767 -21.763 339 HD2 PRO 43 HD2 PRO 689 7.191 -18.555 -20.483 340 HD3 PRO 43 HD3 PRO 689 6.106 -19.074 -21.740 341 H GLU 44 H GLU 690 9.736 -15.945 -24.571 342 HA GLU 44 HA GLU 690 12.126 -15.754 -22.935 343 HB2 GLU 44 HB2 GLU 690 11.021 -13.957 -25.153 344 HB3 GLU 44 HB3 GLU 690 12.613 -13.807 -24.428 345 HG2 GLU 44 HG2 GLU 690 12.967 -14.909 -26.459 346 HG3 GLU 44 HG3 GLU 690 13.162 -16.135 -25.215 347 H LYS 45 H LYS 691 9.090 -13.953 -23.324 348 HA LYS 45 HA LYS 691 9.592 -12.538 -20.774 349 HB2 LYS 45 HB2 LYS 691 8.443 -11.428 -23.361 350 HB3 LYS 45 HB3 LYS 691 8.242 -10.715 -21.806 351 HG2 LYS 45 HG2 LYS 691 10.728 -10.487 -21.552 352 HG3 LYS 45 HG3 LYS 691 10.937 -11.073 -23.210 353 HD2 LYS 45 HD2 LYS 691 9.559 -9.213 -24.077 354 HD3 LYS 45 HD3 LYS 691 9.286 -8.617 -22.445 355 HE2 LYS 45 HE2 LYS 691 11.945 -8.662 -23.956 356 HE3 LYS 45 HE3 LYS 691 10.943 -7.264 -23.571 357 HZ1 LYS 45 HZ1 LYS 691 11.295 -7.951 -21.129 358 HZ2 LYS 45 HZ2 LYS 691 12.519 -8.889 -21.668 359 HZ3 LYS 45 HZ3 LYS 691 12.585 -7.276 -21.911 360 H TYR 46 H TYR 692 8.474 -14.288 -19.869 361 HA TYR 46 HA TYR 692 5.513 -14.079 -20.112 362 HB2 TYR 46 HB2 TYR 692 5.833 -16.248 -19.393 363 HB3 TYR 46 HB3 TYR 692 7.379 -15.935 -18.676 364 HD1 TYR 46 HD1 TYR 692 3.709 -15.615 -18.101 365 HD2 TYR 46 HD2 TYR 692 7.674 -15.555 -16.427 366 HE1 TYR 46 HE1 TYR 692 2.745 -15.438 -15.772 367 HE2 TYR 46 HE2 TYR 692 6.721 -15.516 -14.137 368 HH TYR 46 HH TYR 692 4.839 -15.657 -12.946 369 H THR 47 H THR 693 4.334 -12.685 -19.186 370 HA THR 47 HA THR 693 5.258 -10.962 -16.953 371 HB THR 47 HB THR 693 2.897 -10.000 -17.493 372 HG1 THR 47 HG1 THR 693 2.233 -11.370 -19.119 373 HG21 THR 47 HG21 THR 693 4.978 -8.737 -17.660 374 HG22 THR 47 HG22 THR 693 5.300 -9.465 -19.256 375 HG23 THR 47 HG23 THR 693 3.902 -8.383 -19.027 376 H CYS 48 H CYS 694 4.499 -11.214 -14.937 377 HA CYS 48 HA CYS 694 2.637 -13.386 -14.344 378 HB2 CYS 48 HB2 CYS 694 3.503 -13.213 -12.175 379 HB3 CYS 48 HB3 CYS 694 4.863 -12.693 -13.047 380 H TYR 49 H TYR 695 0.609 -13.236 -13.362 381 HA TYR 49 HA TYR 695 -1.156 -11.253 -13.697 382 HB2 TYR 49 HB2 TYR 695 -2.361 -12.195 -12.001 383 HB3 TYR 49 HB3 TYR 695 -1.431 -13.526 -12.667 384 HD1 TYR 49 HD1 TYR 695 0.998 -13.913 -11.432 385 HD2 TYR 49 HD2 TYR 695 -2.489 -12.054 -9.653 386 HE1 TYR 49 HE1 TYR 695 1.903 -14.337 -9.186 387 HE2 TYR 49 HE2 TYR 695 -1.541 -12.478 -7.389 388 HH TYR 49 HH TYR 695 0.271 -13.245 -6.180 389 H VAL 50 H VAL 696 1.144 -11.054 -10.919 390 HA VAL 50 HA VAL 696 0.056 -8.691 -9.796 391 HB VAL 50 HB VAL 696 2.553 -10.259 -9.492 392 HG11 VAL 50 HG11 VAL 696 2.557 -7.376 -8.592 393 HG12 VAL 50 HG12 VAL 696 3.716 -8.640 -8.125 394 HG13 VAL 50 HG13 VAL 696 3.633 -8.117 -9.811 395 HG21 VAL 50 HG21 VAL 696 0.547 -10.515 -8.098 396 HG22 VAL 50 HG22 VAL 696 2.026 -10.177 -7.192 397 HG23 VAL 50 HG23 VAL 696 0.826 -8.882 -7.448 398 H CYS 51 H CYS 697 2.107 -9.084 -12.621 399 HA CYS 51 HA CYS 697 2.249 -6.190 -13.095 400 HB2 CYS 51 HB2 CYS 697 3.557 -8.472 -14.555 401 HB3 CYS 51 HB3 CYS 697 3.750 -6.769 -14.915 402 H GLN 52 H GLN 698 1.334 -9.199 -15.098 403 HA GLN 52 HA GLN 698 -0.129 -7.368 -16.873 404 HB2 GLN 52 HB2 GLN 698 -0.767 -9.478 -17.970 405 HB3 GLN 52 HB3 GLN 698 0.958 -9.232 -17.959 406 HG2 GLN 52 HG2 GLN 698 1.237 -11.088 -16.609 407 HG3 GLN 52 HG3 GLN 698 -0.285 -11.026 -15.844 408 HE21 GLN 52 HE21 GLN 698 -2.027 -12.449 -16.795 409 HE22 GLN 52 HE22 GLN 698 -1.682 -13.311 -18.283 410 H ASP 53 H ASP 699 -1.145 -9.595 -14.367 411 HA ASP 53 HA ASP 699 -3.123 -10.284 -13.522 412 HB2 ASP 53 HB2 ASP 699 -3.780 -7.941 -13.154 413 HB3 ASP 53 HB3 ASP 699 -4.320 -7.849 -14.815 414 H1 ALA 1 H1 ALA 1 13.413 -15.431 -19.339 415 H2 ALA 1 H2 ALA 1 11.991 -15.169 -20.067 416 H3 ALA 1 H3 ALA 1 12.539 -16.705 -19.926 417 HA ALA 1 HA ALA 1 11.691 -14.944 -17.672 418 HB1 ALA 1 HB1 ALA 1 9.672 -16.267 -17.523 419 HB2 ALA 1 HB2 ALA 1 9.812 -15.651 -19.147 420 HB3 ALA 1 HB3 ALA 1 10.191 -17.357 -18.806 421 H ARG 2 H ARG 2 14.315 -16.290 -17.658 422 HA ARG 2 HA ARG 2 15.715 -17.691 -16.739 423 HB2 ARG 2 HB2 ARG 2 14.776 -16.040 -14.938 424 HB3 ARG 2 HB3 ARG 2 14.252 -17.521 -14.132 425 HG2 ARG 2 HG2 ARG 2 16.412 -18.322 -13.821 426 HG3 ARG 2 HG3 ARG 2 17.115 -17.263 -15.057 427 HD2 ARG 2 HD2 ARG 2 16.803 -15.308 -13.709 428 HD3 ARG 2 HD3 ARG 2 15.908 -16.182 -12.465 429 HE ARG 2 HE ARG 2 18.208 -17.581 -12.424 430 HH11 ARG 2 HH11 ARG 2 17.865 -14.091 -12.482 431 HH12 ARG 2 HH12 ARG 2 19.368 -13.840 -11.631 432 HH21 ARG 2 HH21 ARG 2 20.105 -17.192 -11.350 433 HH22 ARG 2 HH22 ARG 2 20.598 -15.559 -11.012 434 H THR 3 H THR 3 12.812 -18.990 -15.217 435 HA THR 3 HA THR 3 12.223 -20.980 -14.458 436 HB THR 3 HB THR 3 12.446 -22.978 -16.055 437 HG1 THR 3 HG1 THR 3 14.065 -22.027 -17.445 438 HG21 THR 3 HG21 THR 3 11.039 -20.379 -16.711 439 HG22 THR 3 HG22 THR 3 10.567 -22.002 -17.275 440 HG23 THR 3 HG23 THR 3 10.453 -21.650 -15.597 441 H MLY 4 H MLY 4 12.392 -22.925 -13.545 442 HA MLY 4 HA MLY 4 14.996 -24.140 -13.031 443 HB2 MLY 4 HB2 MLY 4 14.981 -23.722 -10.635 444 HB3 MLY 4 HB3 MLY 4 14.772 -22.160 -11.432 445 HG2 MLY 4 HG2 MLY 4 12.246 -22.584 -11.148 446 HG3 MLY 4 HG3 MLY 4 12.687 -23.833 -9.987 447 HD2 MLY 4 HD2 MLY 4 13.750 -20.975 -9.759 448 HD3 MLY 4 HD3 MLY 4 12.153 -21.402 -9.154 449 HE2 MLY 4 HE2 MLY 4 13.223 -23.193 -7.712 450 HE3 MLY 4 HE3 MLY 4 14.792 -22.629 -8.240 451 HH11 MLY 4 HH11 MLY 4 14.678 -19.428 -6.396 452 HH12 MLY 4 HH12 MLY 4 15.536 -20.327 -7.653 453 HH13 MLY 4 HH13 MLY 4 14.031 -19.469 -8.036 454 HH21 MLY 4 HH21 MLY 4 12.447 -20.334 -5.542 455 HH22 MLY 4 HH22 MLY 4 11.869 -20.310 -7.207 456 HH23 MLY 4 HH23 MLY 4 11.800 -21.805 -6.261 457 HZ MLY 4 HZ MLY 4 14.251 -21.736 -6.131 458 H GLN 5 H GLN 5 14.781 -26.124 -11.751 459 HA GLN 5 HA GLN 5 12.068 -27.277 -11.523 460 HB2 GLN 5 HB2 GLN 5 14.365 -28.559 -13.042 461 HB3 GLN 5 HB3 GLN 5 12.918 -29.424 -12.519 462 HG2 GLN 5 HG2 GLN 5 11.500 -28.014 -13.932 463 HG3 GLN 5 HG3 GLN 5 12.902 -27.062 -14.439 464 HE21 GLN 5 HE21 GLN 5 12.066 -27.730 -16.652 465 HE22 GLN 5 HE22 GLN 5 12.621 -29.278 -17.266 466 H THR 6 H THR 6 11.862 -28.839 -9.929 467 HA THR 6 HA THR 6 14.260 -29.340 -8.197 468 HB THR 6 HB THR 6 12.932 -29.161 -6.242 469 HG1 THR 6 HG1 THR 6 10.956 -29.893 -6.775 470 HG21 THR 6 HG21 THR 6 13.776 -27.028 -7.257 471 HG22 THR 6 HG22 THR 6 12.168 -26.789 -7.988 472 HG23 THR 6 HG23 THR 6 12.347 -26.840 -6.223 473 H ALA 7 H ALA 7 12.713 -31.070 -10.333 474 HA ALA 7 HA ALA 7 11.814 -33.405 -8.921 475 HB1 ALA 7 HB1 ALA 7 11.971 -34.480 -11.135 476 HB2 ALA 7 HB2 ALA 7 11.190 -32.894 -11.258 477 HB3 ALA 7 HB3 ALA 7 12.886 -33.090 -11.760 478 H ARG 8 H ARG 8 12.825 -35.426 -8.637 479 HA ARG 8 HA ARG 8 15.487 -35.298 -7.582 480 HB2 ARG 8 HB2 ARG 8 13.374 -36.866 -7.041 481 HB3 ARG 8 HB3 ARG 8 14.125 -37.925 -8.223 482 HG2 ARG 8 HG2 ARG 8 16.304 -37.442 -6.642 483 HG3 ARG 8 HG3 ARG 8 15.038 -37.068 -5.474 484 HD2 ARG 8 HD2 ARG 8 15.578 -39.351 -5.158 485 HD3 ARG 8 HD3 ARG 8 14.029 -39.363 -6.023 486 HE ARG 8 HE ARG 8 16.042 -39.430 -8.001 487 HH11 ARG 8 HH11 ARG 8 15.114 -41.658 -5.437 488 HH12 ARG 8 HH12 ARG 8 15.759 -43.017 -6.329 489 HH21 ARG 8 HH21 ARG 8 16.766 -41.081 -9.000 490 HH22 ARG 8 HH22 ARG 8 16.706 -42.708 -8.355 491 H LYS 9 H LYS 9 17.398 -36.421 -8.199 492 HA LYS 9 HA LYS 9 18.025 -36.589 -11.021 493 HB2 LYS 9 HB2 LYS 9 19.518 -37.588 -8.548 494 HB3 LYS 9 HB3 LYS 9 20.173 -37.612 -10.191 495 HG2 LYS 9 HG2 LYS 9 19.930 -35.147 -10.347 496 HG3 LYS 9 HG3 LYS 9 19.316 -35.097 -8.688 497 HD2 LYS 9 HD2 LYS 9 21.455 -36.048 -7.858 498 HD3 LYS 9 HD3 LYS 9 22.066 -36.136 -9.522 499 HE2 LYS 9 HE2 LYS 9 21.828 -33.672 -9.745 500 HE3 LYS 9 HE3 LYS 9 21.212 -33.575 -8.090 501 HZ1 LYS 9 HZ1 LYS 9 23.371 -34.436 -7.309 502 HZ2 LYS 9 HZ2 LYS 9 23.940 -34.520 -8.841 503 HZ3 LYS 9 HZ3 LYS 9 23.590 -33.072 -8.177 504 H SER 10 H SER 10 18.628 -38.407 -12.252 505 HA SER 10 HA SER 10 16.982 -40.797 -11.903 506 HB2 SER 10 HB2 SER 10 17.426 -39.771 -14.112 507 HB3 SER 10 HB3 SER 10 19.143 -40.190 -13.951 508 HG SER 10 HG SER 10 17.902 -41.754 -15.154 509 H THR 11 H THR 11 17.746 -42.952 -11.738 510 HA THR 11 HA THR 11 20.506 -43.507 -10.844 511 HB THR 11 HB THR 11 19.654 -44.945 -8.974 512 HG1 THR 11 HG1 THR 11 17.461 -44.897 -9.608 513 HG21 THR 11 HG21 THR 11 19.491 -43.140 -7.335 514 HG22 THR 11 HG22 THR 11 20.775 -42.822 -8.510 515 HG23 THR 11 HG23 THR 11 19.234 -41.951 -8.629 516 HN1 NH2 12 H01 THR 11 21.228 -45.250 -11.792 517 HN2 NH2 12 H02 THR 11 20.244 -46.531 -12.465 Start of MODEL 9 1 H1 GLY -3 H1 GLY -3 17.717 -2.671 4.394 2 H2 GLY -3 H2 GLY -3 16.813 -2.027 3.185 3 H3 GLY -3 H3 GLY -3 16.979 -1.219 4.606 4 HA2 GLY -3 HA2 GLY -3 15.770 -2.918 5.804 5 HA3 GLY -3 HA3 GLY -3 14.799 -2.225 4.491 6 H HIS -2 H HIS -2 13.546 -4.239 4.654 7 HA HIS -2 HA HIS -2 14.796 -6.771 3.862 8 HB2 HIS -2 HB2 HIS -2 13.013 -6.748 5.498 9 HB3 HIS -2 HB3 HIS -2 11.902 -5.988 4.358 10 HD2 HIS -2 HD2 HIS -2 10.439 -7.594 2.940 11 HE1 HIS -2 HE1 HIS -2 12.578 -11.237 3.526 12 HE2 HIS -2 HE2 HIS -2 10.489 -10.198 2.507 13 H MET -1 H MET -1 12.188 -4.802 2.343 14 HA MET -1 HA MET -1 12.429 -6.242 -0.197 15 HB2 MET -1 HB2 MET -1 10.758 -4.492 -0.918 16 HB3 MET -1 HB3 MET -1 10.237 -5.607 0.346 17 HG2 MET -1 HG2 MET -1 11.228 -2.764 0.852 18 HG3 MET -1 HG3 MET -1 9.555 -3.168 0.538 19 HE1 MET -1 HE1 MET -1 7.874 -4.193 2.179 20 HE2 MET -1 HE2 MET -1 8.800 -5.714 2.177 21 HE3 MET -1 HE3 MET -1 8.318 -4.970 3.716 22 H ASP 0 H ASP 646 13.520 -3.111 0.964 23 HA ASP 0 HA ASP 646 14.417 -1.292 -0.041 24 HB2 ASP 0 HB2 ASP 646 15.972 -3.505 -1.424 25 HB3 ASP 0 HB3 ASP 646 16.284 -1.802 -1.690 26 H ARG 1 H ARG 647 12.084 -2.417 -1.363 27 HA ARG 1 HA ARG 647 10.773 -2.365 -3.309 28 HB2 ARG 1 HB2 ARG 647 10.319 -0.165 -4.034 29 HB3 ARG 1 HB3 ARG 647 10.805 -0.152 -2.326 30 HG2 ARG 1 HG2 ARG 647 11.524 1.829 -3.412 31 HG3 ARG 1 HG3 ARG 647 12.802 0.901 -2.652 32 HD2 ARG 1 HD2 ARG 647 13.581 1.819 -4.789 33 HD3 ARG 1 HD3 ARG 647 13.528 0.064 -4.802 34 HE ARG 1 HE ARG 647 11.785 0.057 -6.346 35 HH11 ARG 1 HH11 ARG 647 10.579 0.907 -7.991 36 HH12 ARG 1 HH12 ARG 647 10.423 2.630 -8.177 37 HH21 ARG 1 HH21 ARG 647 12.397 3.412 -5.472 38 HH22 ARG 1 HH22 ARG 647 11.430 4.021 -6.787 39 H TYR 2 H TYR 648 13.619 -3.309 -3.637 40 HA TYR 2 HA TYR 648 14.222 -2.889 -6.428 41 HB2 TYR 2 HB2 TYR 648 15.484 -3.903 -4.023 42 HB3 TYR 2 HB3 TYR 648 15.638 -5.121 -5.283 43 HD1 TYR 2 HD1 TYR 648 16.270 -1.518 -4.500 44 HD2 TYR 2 HD2 TYR 648 17.229 -4.867 -7.049 45 HE1 TYR 2 HE1 TYR 648 18.143 -0.223 -5.474 46 HE2 TYR 2 HE2 TYR 648 19.111 -3.559 -8.037 47 HH TYR 2 HH TYR 648 19.886 -0.212 -6.995 48 H ASP 3 H ASP 649 14.555 -4.562 -8.003 49 HA ASP 3 HA ASP 649 12.534 -6.717 -8.020 50 HB2 ASP 3 HB2 ASP 649 14.682 -6.004 -10.044 51 HB3 ASP 3 HB3 ASP 649 13.404 -7.199 -10.253 52 H PHE 4 H PHE 650 12.948 -8.463 -6.840 53 HA PHE 4 HA PHE 650 15.581 -9.864 -6.939 54 HB2 PHE 4 HB2 PHE 650 13.672 -9.322 -4.614 55 HB3 PHE 4 HB3 PHE 650 14.941 -10.501 -4.555 56 HD1 PHE 4 HD1 PHE 650 14.223 -7.598 -3.115 57 HD2 PHE 4 HD2 PHE 650 17.310 -9.154 -5.705 58 HE1 PHE 4 HE1 PHE 650 15.832 -5.954 -2.193 59 HE2 PHE 4 HE2 PHE 650 18.901 -7.484 -4.803 60 HZ PHE 4 HZ PHE 650 18.178 -5.895 -3.029 61 H GLU 5 H GLU 651 15.490 -12.093 -6.399 62 HA GLU 5 HA GLU 651 13.433 -13.542 -7.839 63 HB2 GLU 5 HB2 GLU 651 15.517 -14.697 -5.914 64 HB3 GLU 5 HB3 GLU 651 14.862 -15.458 -7.353 65 HG2 GLU 5 HG2 GLU 651 16.805 -13.134 -7.416 66 HG3 GLU 5 HG3 GLU 651 17.222 -14.834 -7.524 67 H VAL 6 H VAL 652 11.488 -13.334 -7.011 68 HA VAL 6 HA VAL 652 10.882 -14.017 -4.145 69 HB VAL 6 HB VAL 652 9.943 -11.749 -5.919 70 HG11 VAL 6 HG11 VAL 652 7.941 -12.526 -4.710 71 HG12 VAL 6 HG12 VAL 652 8.848 -12.555 -3.177 72 HG13 VAL 6 HG13 VAL 652 8.504 -11.017 -3.999 73 HG21 VAL 6 HG21 VAL 652 11.232 -11.696 -3.160 74 HG22 VAL 6 HG22 VAL 652 12.055 -11.342 -4.687 75 HG23 VAL 6 HG23 VAL 652 10.751 -10.289 -4.149 76 H VAL 7 H VAL 653 9.884 -15.908 -4.152 77 HA VAL 7 HA VAL 653 8.260 -16.722 -6.415 78 HB VAL 7 HB VAL 653 8.534 -17.966 -3.644 79 HG11 VAL 7 HG11 VAL 653 7.548 -19.978 -4.711 80 HG12 VAL 7 HG12 VAL 653 6.351 -18.683 -4.624 81 HG13 VAL 7 HG13 VAL 653 7.153 -19.000 -6.155 82 HG21 VAL 7 HG21 VAL 653 9.544 -18.876 -6.373 83 HG22 VAL 7 HG22 VAL 653 10.549 -18.023 -5.185 84 HG23 VAL 7 HG23 VAL 653 9.875 -19.640 -4.812 85 H ARG 8 H ARG 654 6.547 -15.482 -6.810 86 HA ARG 8 HA ARG 654 4.366 -15.202 -4.767 87 HB2 ARG 8 HB2 ARG 654 5.833 -13.066 -6.236 88 HB3 ARG 8 HB3 ARG 654 4.080 -13.002 -6.453 89 HG2 ARG 8 HG2 ARG 654 3.804 -12.937 -4.003 90 HG3 ARG 8 HG3 ARG 654 5.525 -13.177 -3.778 91 HD2 ARG 8 HD2 ARG 654 6.004 -10.910 -4.556 92 HD3 ARG 8 HD3 ARG 654 4.656 -10.963 -5.672 93 HE ARG 8 HE ARG 654 3.360 -9.850 -4.106 94 HH11 ARG 8 HH11 ARG 654 5.892 -11.408 -2.198 95 HH12 ARG 8 HH12 ARG 654 5.311 -10.683 -0.734 96 HH21 ARG 8 HH21 ARG 654 2.715 -8.990 -2.211 97 HH22 ARG 8 HH22 ARG 654 3.569 -9.346 -0.743 98 H CYS 9 H CYS 655 3.452 -16.944 -5.490 99 HA CYS 9 HA CYS 655 2.281 -16.975 -8.261 100 HB2 CYS 9 HB2 CYS 655 3.326 -19.061 -7.340 101 HB3 CYS 9 HB3 CYS 655 2.175 -19.043 -6.058 102 H ILE 10 H ILE 656 0.000 -17.151 -8.579 103 HA ILE 10 HA ILE 656 -1.809 -15.647 -7.056 104 HB ILE 10 HB ILE 656 -3.611 -17.039 -8.142 105 HG12 ILE 10 HG12 ILE 656 -2.976 -18.433 -10.082 106 HG13 ILE 10 HG13 ILE 656 -1.307 -18.508 -9.523 107 HG21 ILE 10 HG21 ILE 656 -1.359 -15.810 -9.743 108 HG22 ILE 10 HG22 ILE 656 -2.980 -16.153 -10.413 109 HG23 ILE 10 HG23 ILE 656 -2.791 -15.009 -9.074 110 HD11 ILE 10 HD11 ILE 656 -2.886 -20.503 -9.127 111 HD12 ILE 10 HD12 ILE 656 -1.906 -19.984 -7.771 112 HD13 ILE 10 HD13 ILE 656 -3.633 -19.532 -7.847 113 H CYS 11 H CYS 657 -0.451 -18.562 -6.284 114 HA CYS 11 HA CYS 657 -2.513 -19.828 -4.685 115 HB2 CYS 11 HB2 CYS 657 0.387 -20.175 -5.385 116 HB3 CYS 11 HB3 CYS 657 -0.226 -21.027 -3.892 117 H GLU 12 H GLU 658 -0.427 -17.083 -4.235 118 HA GLU 12 HA GLU 658 0.615 -16.020 -2.599 119 HB2 GLU 12 HB2 GLU 658 -2.046 -16.670 -1.268 120 HB3 GLU 12 HB3 GLU 658 -0.909 -15.446 -0.644 121 HG2 GLU 12 HG2 GLU 658 -1.053 -14.273 -2.860 122 HG3 GLU 12 HG3 GLU 658 -2.330 -15.395 -3.343 123 H VAL 13 H VAL 659 1.551 -18.378 -2.857 124 HA VAL 13 HA VAL 659 2.616 -19.030 -0.184 125 HB VAL 13 HB VAL 659 0.892 -20.696 -1.234 126 HG11 VAL 13 HG11 VAL 659 3.356 -21.644 -2.715 127 HG12 VAL 13 HG12 VAL 659 1.769 -22.437 -2.627 128 HG13 VAL 13 HG13 VAL 659 1.955 -20.872 -3.446 129 HG21 VAL 13 HG21 VAL 659 3.567 -21.580 -0.076 130 HG22 VAL 13 HG22 VAL 659 2.099 -21.146 0.815 131 HG23 VAL 13 HG23 VAL 659 2.114 -22.599 -0.194 132 H GLN 14 H GLN 660 4.738 -18.988 -0.117 133 HA GLN 14 HA GLN 660 6.358 -18.580 -2.544 134 HB2 GLN 14 HB2 GLN 660 7.077 -18.690 0.375 135 HB3 GLN 14 HB3 GLN 660 8.263 -18.545 -0.928 136 HG2 GLN 14 HG2 GLN 660 7.738 -16.401 0.151 137 HG3 GLN 14 HG3 GLN 660 7.421 -16.395 -1.566 138 HE21 GLN 14 HE21 GLN 660 5.213 -16.050 -2.280 139 HE22 GLN 14 HE22 GLN 660 3.939 -15.680 -1.108 140 H GLU 15 H GLU 661 5.004 -21.328 -1.638 141 HA GLU 15 HA GLU 661 7.040 -23.273 -1.203 142 HB2 GLU 15 HB2 GLU 661 4.689 -23.586 -0.512 143 HB3 GLU 15 HB3 GLU 661 4.200 -23.604 -2.211 144 HG2 GLU 15 HG2 GLU 661 4.242 -25.844 -1.300 145 HG3 GLU 15 HG3 GLU 661 5.406 -25.678 -2.599 146 H GLU 16 H GLU 662 7.546 -25.002 -2.754 147 HA GLU 16 HA GLU 662 7.711 -24.070 -5.455 148 HB2 GLU 16 HB2 GLU 662 9.836 -25.866 -4.846 149 HB3 GLU 16 HB3 GLU 662 9.707 -24.555 -5.947 150 HG2 GLU 16 HG2 GLU 662 11.112 -23.484 -4.715 151 HG3 GLU 16 HG3 GLU 662 9.717 -22.962 -3.853 152 H ASN 17 H ASN 663 6.657 -25.139 -6.426 153 HA ASN 17 HA ASN 663 5.749 -27.896 -6.280 154 HB2 ASN 17 HB2 ASN 663 5.433 -25.780 -8.430 155 HB3 ASN 17 HB3 ASN 663 5.010 -27.438 -8.751 156 HD21 ASN 17 HD21 ASN 663 1.815 -26.218 -7.921 157 HD22 ASN 17 HD22 ASN 663 2.888 -26.462 -9.250 158 H ASP 18 H ASP 664 6.055 -29.183 -8.567 159 HA ASP 18 HA ASP 664 8.744 -29.988 -8.949 160 HB2 ASP 18 HB2 ASP 664 6.346 -30.115 -10.830 161 HB3 ASP 18 HB3 ASP 664 7.857 -30.960 -11.060 162 H PHE 19 H PHE 665 6.832 -27.558 -10.716 163 HA PHE 19 HA PHE 665 9.265 -26.596 -12.087 164 HB2 PHE 19 HB2 PHE 665 7.729 -27.723 -13.730 165 HB3 PHE 19 HB3 PHE 665 6.394 -26.800 -13.106 166 HD1 PHE 19 HD1 PHE 665 5.678 -25.377 -14.778 167 HD2 PHE 19 HD2 PHE 665 9.925 -25.941 -14.154 168 HE1 PHE 19 HE1 PHE 665 6.186 -23.771 -16.599 169 HE2 PHE 19 HE2 PHE 665 10.403 -24.283 -15.908 170 HZ PHE 19 HZ PHE 665 8.525 -23.298 -17.192 171 H MET 20 H MET 666 9.762 -24.415 -12.071 172 HA MET 20 HA MET 666 7.646 -22.525 -11.450 173 HB2 MET 20 HB2 MET 666 10.317 -22.172 -10.108 174 HB3 MET 20 HB3 MET 666 8.982 -21.168 -9.869 175 HG2 MET 20 HG2 MET 666 7.878 -23.464 -9.104 176 HG3 MET 20 HG3 MET 666 9.524 -24.028 -8.972 177 HE1 MET 20 HE1 MET 666 6.825 -21.936 -7.820 178 HE2 MET 20 HE2 MET 666 7.272 -21.467 -6.173 179 HE3 MET 20 HE3 MET 666 7.766 -20.457 -7.588 180 H ILE 21 H ILE 667 8.011 -20.358 -12.190 181 HA ILE 21 HA ILE 667 10.165 -19.976 -14.200 182 HB ILE 21 HB ILE 667 7.382 -18.914 -14.632 183 HG12 ILE 21 HG12 ILE 667 8.305 -21.205 -16.357 184 HG13 ILE 21 HG13 ILE 667 7.715 -21.615 -14.746 185 HG21 ILE 21 HG21 ILE 667 7.850 -18.675 -17.059 186 HG22 ILE 21 HG22 ILE 667 9.100 -17.850 -16.129 187 HG23 ILE 21 HG23 ILE 667 9.420 -19.410 -16.911 188 HD11 ILE 21 HD11 ILE 667 5.897 -21.669 -16.162 189 HD12 ILE 21 HD12 ILE 667 5.716 -20.241 -15.101 190 HD13 ILE 21 HD13 ILE 667 6.235 -20.065 -16.806 191 H GLN 22 H GLN 668 10.600 -17.676 -14.661 192 HA GLN 22 HA GLN 668 9.868 -15.918 -12.329 193 HB2 GLN 22 HB2 GLN 668 12.273 -16.335 -12.349 194 HB3 GLN 22 HB3 GLN 668 12.295 -16.084 -14.119 195 HG2 GLN 22 HG2 GLN 668 12.084 -13.683 -13.937 196 HG3 GLN 22 HG3 GLN 668 11.444 -13.873 -12.330 197 HE21 GLN 22 HE21 GLN 668 13.038 -13.604 -10.549 198 HE22 GLN 22 HE22 GLN 668 14.756 -13.686 -10.906 199 H CYS 23 H CYS 669 8.895 -14.008 -12.641 200 HA CYS 23 HA CYS 669 7.816 -13.189 -15.201 201 HB2 CYS 23 HB2 CYS 669 6.836 -12.698 -12.954 202 HB3 CYS 23 HB3 CYS 669 8.251 -11.744 -12.552 203 H GLU 24 H GLU 670 8.640 -11.937 -16.721 204 HA GLU 24 HA GLU 670 11.443 -11.118 -16.563 205 HB2 GLU 24 HB2 GLU 670 11.118 -10.367 -18.781 206 HB3 GLU 24 HB3 GLU 670 10.347 -11.933 -18.647 207 HG2 GLU 24 HG2 GLU 670 8.456 -10.896 -19.544 208 HG3 GLU 24 HG3 GLU 670 8.262 -10.288 -17.953 209 H GLU 25 H GLU 671 8.513 -9.551 -15.592 210 HA GLU 25 HA GLU 671 9.571 -6.826 -15.994 211 HB2 GLU 25 HB2 GLU 671 7.271 -7.457 -16.483 212 HB3 GLU 25 HB3 GLU 671 6.983 -7.806 -14.840 213 HG2 GLU 25 HG2 GLU 671 6.068 -5.604 -15.638 214 HG3 GLU 25 HG3 GLU 671 6.996 -5.573 -14.152 215 H CYS 26 H CYS 672 8.297 -8.594 -13.167 216 HA CYS 26 HA CYS 672 9.897 -6.851 -11.443 217 HB2 CYS 26 HB2 CYS 672 8.426 -7.356 -9.754 218 HB3 CYS 26 HB3 CYS 672 7.463 -6.825 -11.148 219 H GLN 27 H GLN 673 10.346 -9.872 -12.629 220 HA GLN 27 HA GLN 673 11.720 -11.481 -12.185 221 HB2 GLN 27 HB2 GLN 673 12.681 -9.452 -10.330 222 HB3 GLN 27 HB3 GLN 673 12.921 -10.947 -9.659 223 HG2 GLN 27 HG2 GLN 673 14.822 -11.217 -10.759 224 HG3 GLN 27 HG3 GLN 673 14.008 -11.316 -12.286 225 HE21 GLN 27 HE21 GLN 673 13.380 -9.200 -13.426 226 HE22 GLN 27 HE22 GLN 673 14.564 -7.925 -13.302 227 H CYS 28 H CYS 674 9.037 -11.150 -10.330 228 HA CYS 28 HA CYS 674 9.667 -13.042 -8.312 229 HB2 CYS 28 HB2 CYS 674 7.218 -13.093 -7.967 230 HB3 CYS 28 HB3 CYS 674 7.922 -11.417 -8.097 231 HG CYS 28 HG CYS 674 5.562 -11.399 -9.234 232 H TRP 29 H TRP 675 8.947 -15.179 -7.985 233 HA TRP 29 HA TRP 675 8.889 -16.767 -10.446 234 HB2 TRP 29 HB2 TRP 675 9.903 -17.145 -7.671 235 HB3 TRP 29 HB3 TRP 675 9.652 -18.549 -8.718 236 HD1 TRP 29 HD1 TRP 675 11.805 -15.438 -8.362 237 HE1 TRP 29 HE1 TRP 675 14.068 -15.788 -9.644 238 HE3 TRP 29 HE3 TRP 675 10.652 -19.734 -10.775 239 HZ2 TRP 29 HZ2 TRP 675 15.159 -17.796 -11.332 240 HZ3 TRP 29 HZ3 TRP 675 12.337 -20.830 -12.298 241 HH2 TRP 29 HH2 TRP 675 14.594 -19.878 -12.545 242 H GLN 30 H GLN 676 7.406 -18.463 -10.861 243 HA GLN 30 HA GLN 676 5.259 -18.832 -8.810 244 HB2 GLN 30 HB2 GLN 676 4.824 -18.299 -11.793 245 HB3 GLN 30 HB3 GLN 676 3.564 -18.685 -10.619 246 HG2 GLN 30 HG2 GLN 676 3.361 -16.410 -10.838 247 HG3 GLN 30 HG3 GLN 676 4.227 -16.741 -9.328 248 HE21 GLN 30 HE21 GLN 676 5.281 -14.736 -9.245 249 HE22 GLN 30 HE22 GLN 676 6.519 -14.306 -10.450 250 H HIS 31 H HIS 677 3.893 -20.691 -9.285 251 HA HIS 31 HA HIS 677 5.404 -22.929 -10.455 252 HB2 HIS 31 HB2 HIS 677 2.412 -22.913 -9.879 253 HB3 HIS 31 HB3 HIS 677 3.522 -24.256 -9.922 254 HD2 HIS 31 HD2 HIS 677 5.633 -23.650 -7.979 255 HE1 HIS 31 HE1 HIS 677 2.832 -22.401 -5.003 256 HE2 HIS 31 HE2 HIS 677 5.195 -23.122 -5.379 257 H GLY 32 H GLY 678 5.564 -23.002 -12.671 258 HA2 GLY 32 HA2 GLY 678 4.079 -21.365 -14.327 259 HA3 GLY 32 HA3 GLY 678 4.807 -22.921 -14.885 260 H VAL 33 H VAL 679 3.104 -24.550 -13.251 261 HA VAL 33 HA VAL 679 0.976 -24.906 -15.167 262 HB VAL 33 HB VAL 679 2.181 -26.649 -14.025 263 HG11 VAL 33 HG11 VAL 679 2.197 -25.732 -11.693 264 HG12 VAL 33 HG12 VAL 679 0.442 -25.987 -11.584 265 HG13 VAL 33 HG13 VAL 679 1.535 -27.377 -11.747 266 HG21 VAL 33 HG21 VAL 679 0.328 -28.200 -13.755 267 HG22 VAL 33 HG22 VAL 679 -0.827 -26.864 -13.573 268 HG23 VAL 33 HG23 VAL 679 0.010 -27.119 -15.124 269 H CYS 34 H CYS 680 1.194 -22.937 -12.347 270 HA CYS 34 HA CYS 680 -1.691 -22.573 -11.783 271 HB2 CYS 34 HB2 CYS 680 0.812 -21.183 -10.809 272 HB3 CYS 34 HB3 CYS 680 -0.795 -20.804 -10.347 273 H MET 35 H MET 681 0.899 -21.192 -13.694 274 HA MET 35 HA MET 681 -0.479 -18.648 -14.362 275 HB2 MET 35 HB2 MET 681 2.327 -19.700 -14.881 276 HB3 MET 35 HB3 MET 681 1.751 -18.103 -15.242 277 HG2 MET 35 HG2 MET 681 1.719 -19.081 -12.387 278 HG3 MET 35 HG3 MET 681 3.124 -18.337 -13.139 279 HE1 MET 35 HE1 MET 681 -0.642 -16.117 -11.799 280 HE2 MET 35 HE2 MET 681 -0.745 -17.752 -12.474 281 HE3 MET 35 HE3 MET 681 0.152 -17.471 -10.956 282 H GLY 36 H GLY 682 -0.214 -21.793 -15.718 283 HA2 GLY 36 HA2 GLY 682 -1.082 -22.631 -17.670 284 HA3 GLY 36 HA3 GLY 682 -1.315 -21.000 -18.312 285 H LEU 37 H LEU 683 1.735 -22.144 -16.978 286 HA LEU 37 HA LEU 683 2.812 -22.542 -19.701 287 HB2 LEU 37 HB2 LEU 683 4.506 -21.289 -17.629 288 HB3 LEU 37 HB3 LEU 683 4.744 -21.150 -19.331 289 HG LEU 37 HG LEU 683 2.285 -19.710 -18.468 290 HD11 LEU 37 HD11 LEU 683 3.808 -19.472 -16.380 291 HD12 LEU 37 HD12 LEU 683 4.839 -18.474 -17.427 292 HD13 LEU 37 HD13 LEU 683 3.153 -18.030 -17.165 293 HD21 LEU 37 HD21 LEU 683 4.944 -18.827 -19.613 294 HD22 LEU 37 HD22 LEU 683 3.547 -19.451 -20.577 295 HD23 LEU 37 HD23 LEU 683 3.377 -17.936 -19.649 296 H LEU 38 H LEU 684 4.788 -23.828 -19.717 297 HA LEU 38 HA LEU 684 5.304 -25.720 -17.568 298 HB2 LEU 38 HB2 LEU 684 3.995 -26.183 -20.257 299 HB3 LEU 38 HB3 LEU 684 5.386 -27.170 -19.917 300 HG LEU 38 HG LEU 684 3.065 -28.068 -19.363 301 HD11 LEU 38 HD11 LEU 684 5.352 -28.122 -17.353 302 HD12 LEU 38 HD12 LEU 684 4.117 -29.391 -17.543 303 HD13 LEU 38 HD13 LEU 684 5.273 -29.052 -18.855 304 HD21 LEU 38 HD21 LEU 684 3.394 -26.566 -16.768 305 HD22 LEU 38 HD22 LEU 684 2.233 -26.166 -18.057 306 HD23 LEU 38 HD23 LEU 684 2.129 -27.726 -17.217 307 H GLU 39 H GLU 685 7.428 -26.819 -18.091 308 HA GLU 39 HA GLU 685 9.407 -25.053 -19.119 309 HB2 GLU 39 HB2 GLU 685 10.812 -27.104 -19.214 310 HB3 GLU 39 HB3 GLU 685 10.118 -26.816 -17.627 311 HG2 GLU 39 HG2 GLU 685 10.046 -29.121 -17.954 312 HG3 GLU 39 HG3 GLU 685 8.398 -28.515 -17.964 313 H GLU 40 H GLU 686 7.314 -27.260 -20.857 314 HA GLU 40 HA GLU 686 8.766 -27.089 -23.352 315 HB2 GLU 40 HB2 GLU 686 6.587 -27.555 -24.478 316 HB3 GLU 40 HB3 GLU 686 7.176 -28.801 -23.372 317 HG2 GLU 40 HG2 GLU 686 5.524 -28.348 -21.794 318 HG3 GLU 40 HG3 GLU 686 5.126 -26.745 -22.470 319 H ASN 41 H ASN 687 6.346 -24.933 -21.896 320 HA ASN 41 HA ASN 687 6.245 -23.336 -24.409 321 HB2 ASN 41 HB2 ASN 687 4.569 -23.165 -21.923 322 HB3 ASN 41 HB3 ASN 687 4.267 -22.310 -23.367 323 HD21 ASN 41 HD21 ASN 687 1.873 -25.058 -23.219 324 HD22 ASN 41 HD22 ASN 687 2.258 -23.741 -22.163 325 H VAL 42 H VAL 688 8.222 -23.054 -21.724 326 HA VAL 42 HA VAL 688 7.818 -20.538 -20.618 327 HB VAL 42 HB VAL 688 10.484 -21.821 -21.177 328 HG11 VAL 42 HG11 VAL 688 10.791 -19.362 -20.786 329 HG12 VAL 42 HG12 VAL 688 9.848 -19.517 -19.291 330 HG13 VAL 42 HG13 VAL 688 11.419 -20.346 -19.499 331 HG21 VAL 42 HG21 VAL 688 8.930 -21.699 -18.635 332 HG22 VAL 42 HG22 VAL 688 8.842 -23.047 -19.789 333 HG23 VAL 42 HG23 VAL 688 10.383 -22.685 -19.077 334 HA PRO 43 HA PRO 689 8.646 -17.992 -24.266 335 HB2 PRO 43 HB2 PRO 689 7.315 -15.760 -23.436 336 HB3 PRO 43 HB3 PRO 689 6.417 -17.211 -23.952 337 HG2 PRO 43 HG2 PRO 689 7.104 -16.308 -21.175 338 HG3 PRO 43 HG3 PRO 689 5.510 -16.849 -21.786 339 HD2 PRO 43 HD2 PRO 689 7.260 -18.533 -20.445 340 HD3 PRO 43 HD3 PRO 689 6.212 -19.129 -21.689 341 H GLU 44 H GLU 690 9.678 -15.940 -24.625 342 HA GLU 44 HA GLU 690 12.049 -15.601 -22.978 343 HB2 GLU 44 HB2 GLU 690 10.910 -13.942 -25.297 344 HB3 GLU 44 HB3 GLU 690 12.496 -13.720 -24.574 345 HG2 GLU 44 HG2 GLU 690 12.881 -14.903 -26.548 346 HG3 GLU 44 HG3 GLU 690 13.098 -16.066 -25.247 347 H LYS 45 H LYS 691 8.946 -13.925 -23.413 348 HA LYS 45 HA LYS 691 9.437 -12.455 -20.896 349 HB2 LYS 45 HB2 LYS 691 8.212 -11.395 -23.468 350 HB3 LYS 45 HB3 LYS 691 8.023 -10.681 -21.906 351 HG2 LYS 45 HG2 LYS 691 10.527 -10.407 -21.715 352 HG3 LYS 45 HG3 LYS 691 10.679 -10.955 -23.396 353 HD2 LYS 45 HD2 LYS 691 9.235 -9.103 -24.158 354 HD3 LYS 45 HD3 LYS 691 9.010 -8.559 -22.502 355 HE2 LYS 45 HE2 LYS 691 11.603 -8.489 -24.113 356 HE3 LYS 45 HE3 LYS 691 10.586 -7.131 -23.643 357 HZ1 LYS 45 HZ1 LYS 691 12.303 -7.159 -22.056 358 HZ2 LYS 45 HZ2 LYS 691 11.067 -7.894 -21.238 359 HZ3 LYS 45 HZ3 LYS 691 12.286 -8.778 -21.866 360 H TYR 46 H TYR 692 8.392 -14.231 -19.972 361 HA TYR 46 HA TYR 692 5.415 -14.082 -20.150 362 HB2 TYR 46 HB2 TYR 692 5.776 -16.243 -19.438 363 HB3 TYR 46 HB3 TYR 692 7.344 -15.913 -18.764 364 HD1 TYR 46 HD1 TYR 692 3.691 -15.657 -18.132 365 HD2 TYR 46 HD2 TYR 692 7.678 -15.570 -16.510 366 HE1 TYR 46 HE1 TYR 692 2.751 -15.486 -15.795 367 HE2 TYR 46 HE2 TYR 692 6.745 -15.565 -14.201 368 HH TYR 46 HH TYR 692 4.863 -15.684 -12.990 369 H THR 47 H THR 693 4.241 -12.665 -19.197 370 HA THR 47 HA THR 693 5.232 -10.994 -16.954 371 HB THR 47 HB THR 693 2.942 -9.953 -17.357 372 HG1 THR 47 HG1 THR 693 2.371 -10.090 -19.652 373 HG21 THR 47 HG21 THR 693 3.806 -8.408 -19.006 374 HG22 THR 47 HG22 THR 693 5.036 -8.812 -17.784 375 HG23 THR 47 HG23 THR 693 5.120 -9.551 -19.409 376 H CYS 48 H CYS 694 4.468 -11.236 -14.952 377 HA CYS 48 HA CYS 694 2.649 -13.441 -14.337 378 HB2 CYS 48 HB2 CYS 694 3.507 -13.230 -12.152 379 HB3 CYS 48 HB3 CYS 694 4.854 -12.705 -13.042 380 H TYR 49 H TYR 695 0.566 -13.276 -13.468 381 HA TYR 49 HA TYR 695 -1.279 -11.364 -13.761 382 HB2 TYR 49 HB2 TYR 695 -2.364 -12.294 -12.054 383 HB3 TYR 49 HB3 TYR 695 -1.427 -13.609 -12.705 384 HD1 TYR 49 HD1 TYR 695 1.007 -13.946 -11.477 385 HD2 TYR 49 HD2 TYR 695 -2.484 -12.096 -9.718 386 HE1 TYR 49 HE1 TYR 695 1.930 -14.324 -9.224 387 HE2 TYR 49 HE2 TYR 695 -1.545 -12.493 -7.452 388 HH TYR 49 HH TYR 695 0.279 -13.223 -6.228 389 H VAL 50 H VAL 696 1.039 -11.113 -10.970 390 HA VAL 50 HA VAL 696 -0.118 -8.740 -9.985 391 HB VAL 50 HB VAL 696 2.420 -10.263 -9.556 392 HG11 VAL 50 HG11 VAL 696 3.513 -8.611 -8.157 393 HG12 VAL 50 HG12 VAL 696 3.481 -8.129 -9.856 394 HG13 VAL 50 HG13 VAL 696 2.355 -7.368 -8.692 395 HG21 VAL 50 HG21 VAL 696 0.358 -10.507 -8.186 396 HG22 VAL 50 HG22 VAL 696 1.846 -10.238 -7.279 397 HG23 VAL 50 HG23 VAL 696 0.675 -8.899 -7.514 398 H CYS 51 H CYS 697 2.094 -9.131 -12.667 399 HA CYS 51 HA CYS 697 2.247 -6.231 -13.135 400 HB2 CYS 51 HB2 CYS 697 3.538 -8.520 -14.593 401 HB3 CYS 51 HB3 CYS 697 3.740 -6.815 -14.962 402 H GLN 52 H GLN 698 1.307 -9.260 -15.121 403 HA GLN 52 HA GLN 698 -0.100 -7.455 -16.894 404 HB2 GLN 52 HB2 GLN 698 -0.882 -9.549 -17.956 405 HB3 GLN 52 HB3 GLN 698 0.849 -9.354 -17.972 406 HG2 GLN 52 HG2 GLN 698 1.145 -11.205 -16.767 407 HG3 GLN 52 HG3 GLN 698 -0.151 -10.906 -15.686 408 HE21 GLN 52 HE21 GLN 698 0.675 -12.594 -18.700 409 HE22 GLN 52 HE22 GLN 698 -0.885 -13.387 -18.831 410 H ASP 53 H ASP 699 -1.436 -9.758 -14.473 411 HA ASP 53 HA ASP 699 -3.789 -8.090 -14.327 412 HB2 ASP 53 HB2 ASP 699 -4.239 -9.372 -16.479 413 HB3 ASP 53 HB3 ASP 699 -4.222 -10.856 -15.574 414 H1 ALA 1 H1 ALA 1 13.301 -15.115 -19.493 415 H2 ALA 1 H2 ALA 1 11.849 -14.618 -20.051 416 H3 ALA 1 H3 ALA 1 12.314 -16.180 -20.257 417 HA ALA 1 HA ALA 1 11.657 -14.880 -17.667 418 HB1 ALA 1 HB1 ALA 1 10.181 -17.175 -19.091 419 HB2 ALA 1 HB2 ALA 1 9.781 -16.461 -17.543 420 HB3 ALA 1 HB3 ALA 1 9.640 -15.485 -19.002 421 H ARG 2 H ARG 2 13.267 -15.674 -16.169 422 HA ARG 2 HA ARG 2 14.945 -17.936 -16.567 423 HB2 ARG 2 HB2 ARG 2 14.833 -15.870 -14.790 424 HB3 ARG 2 HB3 ARG 2 14.290 -17.183 -13.739 425 HG2 ARG 2 HG2 ARG 2 16.306 -18.375 -14.000 426 HG3 ARG 2 HG3 ARG 2 16.908 -17.213 -15.210 427 HD2 ARG 2 HD2 ARG 2 16.952 -15.415 -13.561 428 HD3 ARG 2 HD3 ARG 2 16.142 -16.385 -12.351 429 HE ARG 2 HE ARG 2 18.770 -17.281 -13.503 430 HH11 ARG 2 HH11 ARG 2 17.133 -16.158 -10.538 431 HH12 ARG 2 HH12 ARG 2 18.498 -16.652 -9.580 432 HH21 ARG 2 HH21 ARG 2 20.415 -17.822 -12.159 433 HH22 ARG 2 HH22 ARG 2 20.287 -17.531 -10.453 434 H THR 3 H THR 3 14.939 -20.081 -15.673 435 HA THR 3 HA THR 3 12.464 -21.029 -14.340 436 HB THR 3 HB THR 3 12.526 -23.063 -15.945 437 HG1 THR 3 HG1 THR 3 14.238 -22.438 -17.285 438 HG21 THR 3 HG21 THR 3 11.338 -20.409 -16.832 439 HG22 THR 3 HG22 THR 3 10.731 -22.048 -17.161 440 HG23 THR 3 HG23 THR 3 10.659 -21.444 -15.559 441 H MLY 4 H MLY 4 12.470 -23.023 -13.395 442 HA MLY 4 HA MLY 4 15.030 -24.364 -12.859 443 HB2 MLY 4 HB2 MLY 4 14.948 -23.912 -10.464 444 HB3 MLY 4 HB3 MLY 4 14.803 -22.357 -11.288 445 HG2 MLY 4 HG2 MLY 4 12.260 -22.703 -11.081 446 HG3 MLY 4 HG3 MLY 4 12.623 -23.980 -9.927 447 HD2 MLY 4 HD2 MLY 4 13.912 -21.253 -9.525 448 HD3 MLY 4 HD3 MLY 4 12.198 -21.415 -9.208 449 HE2 MLY 4 HE2 MLY 4 12.605 -23.246 -7.579 450 HE3 MLY 4 HE3 MLY 4 14.331 -23.181 -7.955 451 HH11 MLY 4 HH11 MLY 4 12.530 -20.047 -5.710 452 HH12 MLY 4 HH12 MLY 4 11.983 -20.230 -7.368 453 HH13 MLY 4 HH13 MLY 4 11.566 -21.462 -6.158 454 HH21 MLY 4 HH21 MLY 4 13.427 -22.894 -5.180 455 HH22 MLY 4 HH22 MLY 4 15.089 -22.656 -5.754 456 HH23 MLY 4 HH23 MLY 4 14.307 -21.401 -4.792 457 HZ MLY 4 HZ MLY 4 14.321 -20.858 -7.150 458 H GLN 5 H GLN 5 14.687 -26.307 -11.481 459 HA GLN 5 HA GLN 5 11.890 -27.290 -11.373 460 HB2 GLN 5 HB2 GLN 5 14.265 -28.864 -12.410 461 HB3 GLN 5 HB3 GLN 5 12.725 -29.584 -11.921 462 HG2 GLN 5 HG2 GLN 5 11.536 -28.220 -13.620 463 HG3 GLN 5 HG3 GLN 5 13.069 -27.518 -14.136 464 HE21 GLN 5 HE21 GLN 5 12.002 -28.517 -16.237 465 HE22 GLN 5 HE22 GLN 5 12.558 -30.144 -16.608 466 H THR 6 H THR 6 11.324 -28.209 -9.567 467 HA THR 6 HA THR 6 13.289 -28.736 -7.384 468 HB THR 6 HB THR 6 11.598 -27.357 -5.911 469 HG1 THR 6 HG1 THR 6 10.083 -26.882 -7.532 470 HG21 THR 6 HG21 THR 6 13.447 -25.888 -7.816 471 HG22 THR 6 HG22 THR 6 12.875 -25.351 -6.223 472 HG23 THR 6 HG23 THR 6 13.966 -26.738 -6.342 473 H ALA 7 H ALA 7 11.714 -30.596 -8.975 474 HA ALA 7 HA ALA 7 9.444 -31.541 -7.508 475 HB1 ALA 7 HB1 ALA 7 9.628 -33.490 -8.992 476 HB2 ALA 7 HB2 ALA 7 9.879 -31.996 -9.912 477 HB3 ALA 7 HB3 ALA 7 11.269 -33.004 -9.469 478 H ARG 8 H ARG 8 9.229 -32.781 -5.783 479 HA ARG 8 HA ARG 8 11.580 -33.959 -4.425 480 HB2 ARG 8 HB2 ARG 8 9.887 -32.501 -3.283 481 HB3 ARG 8 HB3 ARG 8 8.660 -33.721 -3.572 482 HG2 ARG 8 HG2 ARG 8 9.534 -33.714 -1.252 483 HG3 ARG 8 HG3 ARG 8 9.715 -35.264 -2.047 484 HD2 ARG 8 HD2 ARG 8 11.683 -34.749 -0.717 485 HD3 ARG 8 HD3 ARG 8 12.109 -34.837 -2.428 486 HE ARG 8 HE ARG 8 11.501 -32.117 -1.664 487 HH11 ARG 8 HH11 ARG 8 14.093 -34.464 -1.374 488 HH12 ARG 8 HH12 ARG 8 15.313 -33.235 -1.222 489 HH21 ARG 8 HH21 ARG 8 13.118 -30.594 -1.467 490 HH22 ARG 8 HH22 ARG 8 14.768 -31.102 -1.274 491 H LYS 9 H LYS 9 9.311 -35.066 -6.644 492 HA LYS 9 HA LYS 9 8.578 -37.641 -5.676 493 HB2 LYS 9 HB2 LYS 9 8.796 -36.585 -8.531 494 HB3 LYS 9 HB3 LYS 9 8.047 -38.122 -8.085 495 HG2 LYS 9 HG2 LYS 9 6.394 -36.940 -6.671 496 HG3 LYS 9 HG3 LYS 9 7.119 -35.385 -7.114 497 HD2 LYS 9 HD2 LYS 9 6.561 -35.783 -9.500 498 HD3 LYS 9 HD3 LYS 9 5.909 -37.370 -9.081 499 HE2 LYS 9 HE2 LYS 9 4.045 -35.914 -9.350 500 HE3 LYS 9 HE3 LYS 9 4.192 -36.278 -7.627 501 HZ1 LYS 9 HZ1 LYS 9 3.785 -33.901 -8.051 502 HZ2 LYS 9 HZ2 LYS 9 5.241 -34.078 -7.332 503 HZ3 LYS 9 HZ3 LYS 9 5.154 -33.766 -8.936 504 H SER 10 H SER 10 9.249 -39.703 -6.131 505 HA SER 10 HA SER 10 12.045 -40.238 -6.181 506 HB2 SER 10 HB2 SER 10 9.740 -42.143 -6.726 507 HB3 SER 10 HB3 SER 10 11.378 -42.599 -6.232 508 HG SER 10 HG SER 10 11.027 -41.628 -4.226 509 H THR 11 H THR 11 13.281 -41.487 -7.662 510 HA THR 11 HA THR 11 12.944 -40.904 -10.514 511 HB THR 11 HB THR 11 14.943 -42.647 -9.026 512 HG1 THR 11 HG1 THR 11 15.066 -40.386 -8.654 513 HG21 THR 11 HG21 THR 11 16.303 -42.476 -11.110 514 HG22 THR 11 HG22 THR 11 14.833 -43.433 -11.341 515 HG23 THR 11 HG23 THR 11 14.899 -41.761 -11.942 516 HN1 NH2 12 H01 THR 11 12.875 -43.918 -8.603 517 HN2 NH2 12 H02 THR 11 11.922 -44.790 -9.782 Start of MODEL 10 1 H1 GLY -3 H1 GLY -3 11.544 0.040 4.252 2 H2 GLY -3 H2 GLY -3 10.498 0.058 5.513 3 H3 GLY -3 H3 GLY -3 11.891 -0.791 5.621 4 HA2 GLY -3 HA2 GLY -3 10.042 -2.299 5.264 5 HA3 GLY -3 HA3 GLY -3 9.638 -1.395 3.798 6 H HIS -2 H HIS -2 10.496 -4.271 4.320 7 HA HIS -2 HA HIS -2 13.164 -4.722 3.563 8 HB2 HIS -2 HB2 HIS -2 10.771 -6.576 3.250 9 HB3 HIS -2 HB3 HIS -2 12.458 -7.062 3.328 10 HD2 HIS -2 HD2 HIS -2 13.507 -7.448 5.702 11 HE1 HIS -2 HE1 HIS -2 10.269 -6.044 8.100 12 HE2 HIS -2 HE2 HIS -2 12.528 -7.214 8.140 13 H MET -1 H MET -1 10.540 -3.990 1.406 14 HA MET -1 HA MET -1 11.400 -5.325 -0.969 15 HB2 MET -1 HB2 MET -1 10.133 -3.410 -2.087 16 HB3 MET -1 HB3 MET -1 9.213 -4.496 -1.044 17 HG2 MET -1 HG2 MET -1 10.284 -1.787 -0.141 18 HG3 MET -1 HG3 MET -1 8.748 -1.968 -0.966 19 HE1 MET -1 HE1 MET -1 6.425 -3.727 1.570 20 HE2 MET -1 HE2 MET -1 6.558 -2.892 0.011 21 HE3 MET -1 HE3 MET -1 7.294 -4.496 0.226 22 H ASP 0 H ASP 646 12.531 -2.278 0.384 23 HA ASP 0 HA ASP 646 13.845 -0.601 -0.434 24 HB2 ASP 0 HB2 ASP 646 15.314 -3.016 -1.560 25 HB3 ASP 0 HB3 ASP 646 15.874 -1.371 -1.757 26 H ARG 1 H ARG 647 11.647 -1.488 -2.122 27 HA ARG 1 HA ARG 647 10.670 -1.351 -4.249 28 HB2 ARG 1 HB2 ARG 647 10.642 0.824 -5.149 29 HB3 ARG 1 HB3 ARG 647 10.845 0.901 -3.386 30 HG2 ARG 1 HG2 ARG 647 11.991 2.690 -4.449 31 HG3 ARG 1 HG3 ARG 647 12.989 1.671 -3.426 32 HD2 ARG 1 HD2 ARG 647 14.225 2.307 -5.451 33 HD3 ARG 1 HD3 ARG 647 13.922 0.576 -5.376 34 HE ARG 1 HE ARG 647 12.467 0.674 -7.181 35 HH11 ARG 1 HH11 ARG 647 13.410 3.974 -6.417 36 HH12 ARG 1 HH12 ARG 647 12.777 4.604 -7.909 37 HH21 ARG 1 HH21 ARG 647 11.673 1.549 -9.067 38 HH22 ARG 1 HH22 ARG 647 11.814 3.257 -9.367 39 H TYR 2 H TYR 648 13.389 -2.665 -4.044 40 HA TYR 2 HA TYR 648 14.372 -2.618 -6.788 41 HB2 TYR 2 HB2 TYR 648 15.215 -3.543 -4.141 42 HB3 TYR 2 HB3 TYR 648 15.442 -4.809 -5.338 43 HD1 TYR 2 HD1 TYR 648 16.347 -1.296 -4.464 44 HD2 TYR 2 HD2 TYR 648 17.162 -4.694 -6.997 45 HE1 TYR 2 HE1 TYR 648 18.430 -0.196 -5.271 46 HE2 TYR 2 HE2 TYR 648 19.251 -3.600 -7.797 47 HH TYR 2 HH TYR 648 20.598 -1.730 -7.691 48 H ASP 3 H ASP 649 14.540 -4.442 -8.167 49 HA ASP 3 HA ASP 649 12.325 -6.406 -8.027 50 HB2 ASP 3 HB2 ASP 649 14.472 -6.006 -10.131 51 HB3 ASP 3 HB3 ASP 649 13.111 -7.125 -10.224 52 H PHE 4 H PHE 650 12.633 -8.115 -6.741 53 HA PHE 4 HA PHE 650 15.261 -9.536 -6.655 54 HB2 PHE 4 HB2 PHE 650 13.149 -9.068 -4.508 55 HB3 PHE 4 HB3 PHE 650 14.446 -10.223 -4.376 56 HD1 PHE 4 HD1 PHE 650 13.508 -7.120 -3.241 57 HD2 PHE 4 HD2 PHE 650 16.901 -9.055 -5.077 58 HE1 PHE 4 HE1 PHE 650 15.027 -5.450 -2.213 59 HE2 PHE 4 HE2 PHE 650 18.407 -7.352 -4.082 60 HZ PHE 4 HZ PHE 650 17.479 -5.562 -2.621 61 H GLU 5 H GLU 651 15.265 -11.718 -6.409 62 HA GLU 5 HA GLU 651 13.268 -13.275 -7.807 63 HB2 GLU 5 HB2 GLU 651 15.471 -14.349 -5.959 64 HB3 GLU 5 HB3 GLU 651 14.889 -15.051 -7.450 65 HG2 GLU 5 HG2 GLU 651 16.834 -14.383 -8.216 66 HG3 GLU 5 HG3 GLU 651 15.973 -12.895 -8.562 67 H VAL 6 H VAL 652 11.361 -13.230 -6.963 68 HA VAL 6 HA VAL 652 10.830 -14.023 -4.108 69 HB VAL 6 HB VAL 652 9.742 -11.748 -5.793 70 HG11 VAL 6 HG11 VAL 652 8.746 -12.721 -3.067 71 HG12 VAL 6 HG12 VAL 652 8.310 -11.170 -3.814 72 HG13 VAL 6 HG13 VAL 652 7.819 -12.678 -4.587 73 HG21 VAL 6 HG21 VAL 652 11.072 -11.704 -3.047 74 HG22 VAL 6 HG22 VAL 652 11.854 -11.266 -4.572 75 HG23 VAL 6 HG23 VAL 652 10.506 -10.300 -3.989 76 H VAL 7 H VAL 653 9.870 -15.930 -4.121 77 HA VAL 7 HA VAL 653 8.243 -16.755 -6.384 78 HB VAL 7 HB VAL 653 8.487 -17.987 -3.600 79 HG11 VAL 7 HG11 VAL 653 7.145 -19.026 -6.126 80 HG12 VAL 7 HG12 VAL 653 7.511 -20.004 -4.676 81 HG13 VAL 7 HG13 VAL 653 6.321 -18.696 -4.603 82 HG21 VAL 7 HG21 VAL 653 9.819 -19.689 -4.740 83 HG22 VAL 7 HG22 VAL 653 9.536 -18.903 -6.305 84 HG23 VAL 7 HG23 VAL 653 10.524 -18.075 -5.091 85 H ARG 8 H ARG 654 6.527 -15.527 -6.777 86 HA ARG 8 HA ARG 654 4.364 -15.240 -4.726 87 HB2 ARG 8 HB2 ARG 654 5.837 -13.088 -6.169 88 HB3 ARG 8 HB3 ARG 654 4.088 -13.021 -6.412 89 HG2 ARG 8 HG2 ARG 654 3.765 -12.968 -3.972 90 HG3 ARG 8 HG3 ARG 654 5.477 -13.211 -3.712 91 HD2 ARG 8 HD2 ARG 654 5.983 -10.946 -4.471 92 HD3 ARG 8 HD3 ARG 654 4.657 -10.985 -5.610 93 HE ARG 8 HE ARG 654 3.333 -9.882 -4.054 94 HH11 ARG 8 HH11 ARG 654 5.842 -11.450 -2.141 95 HH12 ARG 8 HH12 ARG 654 5.254 -10.736 -0.665 96 HH21 ARG 8 HH21 ARG 654 2.664 -9.040 -2.155 97 HH22 ARG 8 HH22 ARG 654 3.504 -9.407 -0.683 98 H CYS 9 H CYS 655 3.441 -16.971 -5.459 99 HA CYS 9 HA CYS 655 2.266 -16.986 -8.226 100 HB2 CYS 9 HB2 CYS 655 3.324 -19.072 -7.329 101 HB3 CYS 9 HB3 CYS 655 2.179 -19.070 -6.043 102 H ILE 10 H ILE 656 -0.016 -17.159 -8.548 103 HA ILE 10 HA ILE 656 -1.823 -15.667 -7.016 104 HB ILE 10 HB ILE 656 -3.619 -17.061 -8.115 105 HG12 ILE 10 HG12 ILE 656 -2.977 -18.442 -10.062 106 HG13 ILE 10 HG13 ILE 656 -1.308 -18.509 -9.499 107 HG21 ILE 10 HG21 ILE 656 -2.982 -16.156 -10.375 108 HG22 ILE 10 HG22 ILE 656 -2.812 -15.020 -9.024 109 HG23 ILE 10 HG23 ILE 656 -1.372 -15.798 -9.692 110 HD11 ILE 10 HD11 ILE 656 -2.892 -20.510 -9.116 111 HD12 ILE 10 HD12 ILE 656 -1.911 -19.998 -7.755 112 HD13 ILE 10 HD13 ILE 656 -3.639 -19.544 -7.835 113 H CYS 11 H CYS 657 -0.467 -18.583 -6.266 114 HA CYS 11 HA CYS 657 -2.526 -19.851 -4.664 115 HB2 CYS 11 HB2 CYS 657 0.382 -20.196 -5.351 116 HB3 CYS 11 HB3 CYS 657 -0.242 -21.050 -3.866 117 H GLU 12 H GLU 658 -0.442 -17.112 -4.202 118 HA GLU 12 HA GLU 658 0.594 -16.053 -2.555 119 HB2 GLU 12 HB2 GLU 658 -2.086 -16.688 -1.256 120 HB3 GLU 12 HB3 GLU 658 -0.952 -15.474 -0.616 121 HG2 GLU 12 HG2 GLU 658 -1.057 -14.288 -2.823 122 HG3 GLU 12 HG3 GLU 658 -2.321 -15.411 -3.337 123 H VAL 13 H VAL 659 1.524 -18.412 -2.804 124 HA VAL 13 HA VAL 659 2.580 -19.071 -0.133 125 HB VAL 13 HB VAL 659 0.869 -20.744 -1.205 126 HG11 VAL 13 HG11 VAL 659 3.343 -21.660 -2.697 127 HG12 VAL 13 HG12 VAL 659 1.755 -22.458 -2.620 128 HG13 VAL 13 HG13 VAL 659 1.934 -20.883 -3.421 129 HG21 VAL 13 HG21 VAL 659 3.551 -21.637 -0.064 130 HG22 VAL 13 HG22 VAL 659 2.088 -21.203 0.842 131 HG23 VAL 13 HG23 VAL 659 2.094 -22.647 -0.178 132 H GLN 14 H GLN 660 4.712 -19.040 -0.067 133 HA GLN 14 HA GLN 660 6.307 -18.606 -2.501 134 HB2 GLN 14 HB2 GLN 660 7.043 -18.726 0.407 135 HB3 GLN 14 HB3 GLN 660 8.227 -18.570 -0.901 136 HG2 GLN 14 HG2 GLN 660 7.695 -16.437 0.207 137 HG3 GLN 14 HG3 GLN 660 7.382 -16.415 -1.516 138 HE21 GLN 14 HE21 GLN 660 5.183 -16.067 -2.234 139 HE22 GLN 14 HE22 GLN 660 3.903 -15.710 -1.068 140 H GLU 15 H GLU 661 4.984 -21.386 -1.517 141 HA GLU 15 HA GLU 661 7.044 -23.294 -1.215 142 HB2 GLU 15 HB2 GLU 661 4.692 -23.693 -0.596 143 HB3 GLU 15 HB3 GLU 661 4.236 -23.644 -2.298 144 HG2 GLU 15 HG2 GLU 661 4.288 -25.915 -1.498 145 HG3 GLU 15 HG3 GLU 661 5.498 -25.685 -2.744 146 H GLU 16 H GLU 662 7.705 -24.920 -2.754 147 HA GLU 16 HA GLU 662 7.871 -23.986 -5.475 148 HB2 GLU 16 HB2 GLU 662 9.978 -25.762 -4.697 149 HB3 GLU 16 HB3 GLU 662 9.917 -24.600 -5.968 150 HG2 GLU 16 HG2 GLU 662 10.423 -22.759 -4.735 151 HG3 GLU 16 HG3 GLU 662 10.004 -23.514 -3.201 152 H ASN 17 H ASN 663 6.847 -25.052 -6.406 153 HA ASN 17 HA ASN 663 5.975 -27.876 -6.382 154 HB2 ASN 17 HB2 ASN 663 5.593 -25.671 -8.404 155 HB3 ASN 17 HB3 ASN 663 5.266 -27.323 -8.830 156 HD21 ASN 17 HD21 ASN 663 1.977 -26.374 -7.981 157 HD22 ASN 17 HD22 ASN 663 3.082 -26.512 -9.309 158 H ASP 18 H ASP 664 6.431 -29.200 -8.451 159 HA ASP 18 HA ASP 664 9.145 -29.756 -8.930 160 HB2 ASP 18 HB2 ASP 664 6.697 -30.210 -10.684 161 HB3 ASP 18 HB3 ASP 664 8.270 -30.907 -10.970 162 H PHE 19 H PHE 665 7.007 -27.555 -10.714 163 HA PHE 19 HA PHE 665 9.314 -26.513 -12.235 164 HB2 PHE 19 HB2 PHE 665 7.697 -27.699 -13.785 165 HB3 PHE 19 HB3 PHE 665 6.398 -26.757 -13.111 166 HD1 PHE 19 HD1 PHE 665 5.634 -25.341 -14.763 167 HD2 PHE 19 HD2 PHE 665 9.889 -25.961 -14.323 168 HE1 PHE 19 HE1 PHE 665 6.089 -23.710 -16.589 169 HE2 PHE 19 HE2 PHE 665 10.318 -24.284 -16.089 170 HZ PHE 19 HZ PHE 665 8.408 -23.255 -17.262 171 H MET 20 H MET 666 9.797 -24.357 -12.142 172 HA MET 20 HA MET 666 7.669 -22.497 -11.469 173 HB2 MET 20 HB2 MET 666 10.351 -22.127 -10.125 174 HB3 MET 20 HB3 MET 666 8.974 -21.155 -9.861 175 HG2 MET 20 HG2 MET 666 7.905 -23.482 -9.186 176 HG3 MET 20 HG3 MET 666 9.576 -24.017 -9.057 177 HE1 MET 20 HE1 MET 666 7.849 -20.445 -7.592 178 HE2 MET 20 HE2 MET 666 6.824 -21.861 -7.877 179 HE3 MET 20 HE3 MET 666 7.278 -21.442 -6.211 180 H ILE 21 H ILE 667 7.982 -20.343 -12.236 181 HA ILE 21 HA ILE 667 10.096 -19.966 -14.295 182 HB ILE 21 HB ILE 667 7.314 -18.859 -14.632 183 HG12 ILE 21 HG12 ILE 667 8.136 -21.186 -16.363 184 HG13 ILE 21 HG13 ILE 667 7.561 -21.572 -14.741 185 HG21 ILE 21 HG21 ILE 667 9.123 -19.449 -17.086 186 HG22 ILE 21 HG22 ILE 667 7.652 -18.543 -17.029 187 HG23 ILE 21 HG23 ILE 667 9.093 -17.895 -16.246 188 HD11 ILE 21 HD11 ILE 667 5.726 -21.585 -16.143 189 HD12 ILE 21 HD12 ILE 667 5.591 -20.145 -15.086 190 HD13 ILE 21 HD13 ILE 667 6.088 -19.990 -16.796 191 H GLN 22 H GLN 668 10.544 -17.621 -14.775 192 HA GLN 22 HA GLN 668 9.895 -15.950 -12.344 193 HB2 GLN 22 HB2 GLN 668 12.285 -16.390 -12.333 194 HB3 GLN 22 HB3 GLN 668 12.364 -16.122 -14.093 195 HG2 GLN 22 HG2 GLN 668 12.100 -13.719 -13.870 196 HG3 GLN 22 HG3 GLN 668 11.476 -13.939 -12.253 197 HE21 GLN 22 HE21 GLN 668 13.062 -13.711 -10.488 198 HE22 GLN 22 HE22 GLN 668 14.781 -13.683 -10.863 199 H CYS 23 H CYS 669 8.919 -14.033 -12.598 200 HA CYS 23 HA CYS 669 7.850 -13.165 -15.152 201 HB2 CYS 23 HB2 CYS 669 6.851 -12.698 -12.908 202 HB3 CYS 23 HB3 CYS 669 8.265 -11.748 -12.479 203 H GLU 24 H GLU 670 8.715 -11.924 -16.653 204 HA GLU 24 HA GLU 670 11.523 -11.118 -16.422 205 HB2 GLU 24 HB2 GLU 670 11.260 -10.398 -18.670 206 HB3 GLU 24 HB3 GLU 670 10.496 -11.962 -18.519 207 HG2 GLU 24 HG2 GLU 670 8.619 -10.958 -19.478 208 HG3 GLU 24 HG3 GLU 670 8.383 -10.314 -17.910 209 H GLU 25 H GLU 671 8.570 -9.552 -15.544 210 HA GLU 25 HA GLU 671 9.621 -6.828 -15.922 211 HB2 GLU 25 HB2 GLU 671 7.320 -7.501 -16.416 212 HB3 GLU 25 HB3 GLU 671 7.039 -7.808 -14.756 213 HG2 GLU 25 HG2 GLU 671 6.109 -5.641 -15.622 214 HG3 GLU 25 HG3 GLU 671 7.027 -5.566 -14.134 215 H CYS 26 H CYS 672 8.354 -8.638 -13.113 216 HA CYS 26 HA CYS 672 9.944 -6.898 -11.381 217 HB2 CYS 26 HB2 CYS 672 8.459 -7.377 -9.702 218 HB3 CYS 26 HB3 CYS 672 7.519 -6.834 -11.094 219 H GLN 27 H GLN 673 10.395 -9.917 -12.567 220 HA GLN 27 HA GLN 673 11.774 -11.526 -12.109 221 HB2 GLN 27 HB2 GLN 673 12.708 -9.472 -10.293 222 HB3 GLN 27 HB3 GLN 673 12.935 -10.961 -9.554 223 HG2 GLN 27 HG2 GLN 673 14.848 -11.315 -10.615 224 HG3 GLN 27 HG3 GLN 673 14.066 -11.377 -12.163 225 HE21 GLN 27 HE21 GLN 673 13.463 -9.221 -13.263 226 HE22 GLN 27 HE22 GLN 673 14.691 -7.988 -13.140 227 H CYS 28 H CYS 674 9.078 -11.189 -10.276 228 HA CYS 28 HA CYS 674 9.669 -13.098 -8.261 229 HB2 CYS 28 HB2 CYS 674 7.207 -13.131 -7.973 230 HB3 CYS 28 HB3 CYS 674 7.940 -11.450 -8.076 231 HG CYS 28 HG CYS 674 5.618 -11.394 -9.267 232 H TRP 29 H TRP 675 8.948 -15.231 -7.952 233 HA TRP 29 HA TRP 675 8.863 -16.785 -10.431 234 HB2 TRP 29 HB2 TRP 675 9.847 -17.235 -7.658 235 HB3 TRP 29 HB3 TRP 675 9.584 -18.624 -8.729 236 HD1 TRP 29 HD1 TRP 675 11.768 -15.562 -8.244 237 HE1 TRP 29 HE1 TRP 675 14.014 -15.875 -9.533 238 HE3 TRP 29 HE3 TRP 675 10.604 -19.756 -10.849 239 HZ2 TRP 29 HZ2 TRP 675 15.125 -17.810 -11.301 240 HZ3 TRP 29 HZ3 TRP 675 12.294 -20.806 -12.386 241 HH2 TRP 29 HH2 TRP 675 14.562 -19.842 -12.589 242 H GLN 30 H GLN 676 7.386 -18.465 -10.870 243 HA GLN 30 HA GLN 676 5.252 -18.849 -8.817 244 HB2 GLN 30 HB2 GLN 676 4.778 -18.272 -11.779 245 HB3 GLN 30 HB3 GLN 676 3.532 -18.675 -10.594 246 HG2 GLN 30 HG2 GLN 676 3.333 -16.387 -10.765 247 HG3 GLN 30 HG3 GLN 676 4.224 -16.743 -9.279 248 HE21 GLN 30 HE21 GLN 676 5.271 -14.730 -9.191 249 HE22 GLN 30 HE22 GLN 676 6.486 -14.281 -10.416 250 H HIS 31 H HIS 677 3.897 -20.703 -9.281 251 HA HIS 31 HA HIS 677 5.411 -22.935 -10.472 252 HB2 HIS 31 HB2 HIS 677 2.422 -22.918 -9.855 253 HB3 HIS 31 HB3 HIS 677 3.538 -24.251 -9.905 254 HD2 HIS 31 HD2 HIS 677 5.661 -23.609 -7.938 255 HE1 HIS 31 HE1 HIS 677 2.815 -22.432 -4.977 256 HE2 HIS 31 HE2 HIS 677 5.196 -23.120 -5.350 257 H GLY 32 H GLY 678 5.528 -22.998 -12.693 258 HA2 GLY 32 HA2 GLY 678 4.023 -21.354 -14.330 259 HA3 GLY 32 HA3 GLY 678 4.736 -22.919 -14.891 260 H VAL 33 H VAL 679 3.070 -24.551 -13.288 261 HA VAL 33 HA VAL 679 0.905 -24.890 -15.157 262 HB VAL 33 HB VAL 679 2.128 -26.638 -14.022 263 HG11 VAL 33 HG11 VAL 679 2.134 -25.717 -11.686 264 HG12 VAL 33 HG12 VAL 679 0.387 -25.993 -11.582 265 HG13 VAL 33 HG13 VAL 679 1.493 -27.369 -11.749 266 HG21 VAL 33 HG21 VAL 679 -0.883 -26.845 -13.579 267 HG22 VAL 33 HG22 VAL 679 -0.042 -27.103 -15.122 268 HG23 VAL 33 HG23 VAL 679 0.261 -28.192 -13.757 269 H CYS 34 H CYS 680 1.151 -22.953 -12.311 270 HA CYS 34 HA CYS 680 -1.725 -22.571 -11.745 271 HB2 CYS 34 HB2 CYS 680 0.791 -21.198 -10.781 272 HB3 CYS 34 HB3 CYS 680 -0.811 -20.821 -10.292 273 H MET 35 H MET 681 0.852 -21.163 -13.647 274 HA MET 35 HA MET 681 -0.538 -18.619 -14.290 275 HB2 MET 35 HB2 MET 681 2.267 -19.666 -14.849 276 HB3 MET 35 HB3 MET 681 1.677 -18.076 -15.198 277 HG2 MET 35 HG2 MET 681 1.645 -19.043 -12.338 278 HG3 MET 35 HG3 MET 681 3.063 -18.326 -13.093 279 HE1 MET 35 HE1 MET 681 0.100 -17.391 -10.919 280 HE2 MET 35 HE2 MET 681 -0.651 -16.020 -11.776 281 HE3 MET 35 HE3 MET 681 -0.794 -17.656 -12.441 282 H GLY 36 H GLY 682 -0.286 -21.766 -15.659 283 HA2 GLY 36 HA2 GLY 682 -1.203 -22.585 -17.612 284 HA3 GLY 36 HA3 GLY 682 -1.426 -20.950 -18.236 285 H LEU 37 H LEU 683 1.641 -22.094 -16.951 286 HA LEU 37 HA LEU 683 2.667 -22.486 -19.696 287 HB2 LEU 37 HB2 LEU 683 4.400 -21.220 -17.655 288 HB3 LEU 37 HB3 LEU 683 4.606 -21.072 -19.361 289 HG LEU 37 HG LEU 683 2.152 -19.652 -18.431 290 HD11 LEU 37 HD11 LEU 683 4.732 -18.414 -17.460 291 HD12 LEU 37 HD12 LEU 683 3.052 -17.955 -17.170 292 HD13 LEU 37 HD13 LEU 683 3.704 -19.403 -16.392 293 HD21 LEU 37 HD21 LEU 683 3.185 -17.869 -19.641 294 HD22 LEU 37 HD22 LEU 683 4.763 -18.732 -19.660 295 HD23 LEU 37 HD23 LEU 683 3.346 -19.373 -20.580 296 H LEU 38 H LEU 684 4.640 -23.787 -19.749 297 HA LEU 38 HA LEU 684 5.160 -25.662 -17.579 298 HB2 LEU 38 HB2 LEU 684 3.816 -26.118 -20.254 299 HB3 LEU 38 HB3 LEU 684 5.205 -27.115 -19.944 300 HG LEU 38 HG LEU 684 2.913 -28.020 -19.371 301 HD11 LEU 38 HD11 LEU 684 5.125 -28.974 -18.829 302 HD12 LEU 38 HD12 LEU 684 5.175 -28.033 -17.330 303 HD13 LEU 38 HD13 LEU 684 3.951 -29.315 -17.528 304 HD21 LEU 38 HD21 LEU 684 1.964 -27.656 -17.228 305 HD22 LEU 38 HD22 LEU 684 3.222 -26.485 -16.791 306 HD23 LEU 38 HD23 LEU 684 2.057 -26.102 -18.086 307 H GLU 39 H GLU 685 7.267 -26.805 -18.136 308 HA GLU 39 HA GLU 685 9.266 -25.091 -19.197 309 HB2 GLU 39 HB2 GLU 685 10.620 -27.174 -19.327 310 HB3 GLU 39 HB3 GLU 685 9.971 -26.866 -17.725 311 HG2 GLU 39 HG2 GLU 685 9.833 -29.170 -18.049 312 HG3 GLU 39 HG3 GLU 685 8.202 -28.521 -18.030 313 H GLU 40 H GLU 686 7.093 -27.243 -20.910 314 HA GLU 40 HA GLU 686 8.503 -27.081 -23.433 315 HB2 GLU 40 HB2 GLU 686 6.304 -27.515 -24.520 316 HB3 GLU 40 HB3 GLU 686 6.893 -28.770 -23.424 317 HG2 GLU 40 HG2 GLU 686 5.271 -28.303 -21.824 318 HG3 GLU 40 HG3 GLU 686 4.893 -26.689 -22.492 319 H ASN 41 H ASN 687 6.136 -24.895 -21.935 320 HA ASN 41 HA ASN 687 6.035 -23.276 -24.439 321 HB2 ASN 41 HB2 ASN 687 4.372 -23.109 -21.944 322 HB3 ASN 41 HB3 ASN 687 4.073 -22.239 -23.382 323 HD21 ASN 41 HD21 ASN 687 1.652 -24.968 -23.240 324 HD22 ASN 41 HD22 ASN 687 2.054 -23.660 -22.179 325 H VAL 42 H VAL 688 8.039 -23.059 -21.794 326 HA VAL 42 HA VAL 688 7.710 -20.542 -20.678 327 HB VAL 42 HB VAL 688 10.357 -21.862 -21.258 328 HG11 VAL 42 HG11 VAL 688 9.703 -19.558 -19.379 329 HG12 VAL 42 HG12 VAL 688 11.254 -20.439 -19.473 330 HG13 VAL 42 HG13 VAL 688 10.741 -19.461 -20.821 331 HG21 VAL 42 HG21 VAL 688 8.767 -23.137 -19.943 332 HG22 VAL 42 HG22 VAL 688 10.236 -22.712 -19.116 333 HG23 VAL 42 HG23 VAL 688 8.703 -21.796 -18.779 334 HA PRO 43 HA PRO 689 8.551 -17.990 -24.315 335 HB2 PRO 43 HB2 PRO 689 7.367 -15.691 -23.396 336 HB3 PRO 43 HB3 PRO 689 6.382 -17.074 -23.940 337 HG2 PRO 43 HG2 PRO 689 7.154 -16.312 -21.140 338 HG3 PRO 43 HG3 PRO 689 5.533 -16.753 -21.750 339 HD2 PRO 43 HD2 PRO 689 7.202 -18.552 -20.489 340 HD3 PRO 43 HD3 PRO 689 6.112 -19.062 -21.747 341 H GLU 44 H GLU 690 9.650 -15.821 -24.549 342 HA GLU 44 HA GLU 690 12.092 -15.781 -22.880 343 HB2 GLU 44 HB2 GLU 690 11.174 -14.413 -25.392 344 HB3 GLU 44 HB3 GLU 690 12.317 -13.533 -24.392 345 HG2 GLU 44 HG2 GLU 690 12.907 -16.393 -25.280 346 HG3 GLU 44 HG3 GLU 690 13.228 -14.989 -26.291 347 H LYS 45 H LYS 691 9.096 -13.940 -23.322 348 HA LYS 45 HA LYS 691 9.599 -12.530 -20.762 349 HB2 LYS 45 HB2 LYS 691 8.453 -11.427 -23.353 350 HB3 LYS 45 HB3 LYS 691 8.245 -10.714 -21.796 351 HG2 LYS 45 HG2 LYS 691 10.738 -10.490 -21.537 352 HG3 LYS 45 HG3 LYS 691 10.942 -11.058 -23.205 353 HD2 LYS 45 HD2 LYS 691 9.562 -9.195 -24.044 354 HD3 LYS 45 HD3 LYS 691 9.291 -8.616 -22.402 355 HE2 LYS 45 HE2 LYS 691 11.939 -8.640 -23.927 356 HE3 LYS 45 HE3 LYS 691 10.943 -7.249 -23.524 357 HZ1 LYS 45 HZ1 LYS 691 12.592 -7.272 -21.874 358 HZ2 LYS 45 HZ2 LYS 691 11.308 -7.953 -21.089 359 HZ3 LYS 45 HZ3 LYS 691 12.530 -8.886 -21.639 360 H TYR 46 H TYR 692 8.491 -14.287 -19.864 361 HA TYR 46 HA TYR 692 5.526 -14.085 -20.106 362 HB2 TYR 46 HB2 TYR 692 5.852 -16.249 -19.378 363 HB3 TYR 46 HB3 TYR 692 7.400 -15.935 -18.660 364 HD1 TYR 46 HD1 TYR 692 3.725 -15.617 -18.104 365 HD2 TYR 46 HD2 TYR 692 7.685 -15.553 -16.414 366 HE1 TYR 46 HE1 TYR 692 2.752 -15.436 -15.775 367 HE2 TYR 46 HE2 TYR 692 6.724 -15.521 -14.127 368 HH TYR 46 HH TYR 692 4.832 -15.649 -12.944 369 H THR 47 H THR 693 4.356 -12.667 -19.201 370 HA THR 47 HA THR 693 5.272 -10.957 -16.957 371 HB THR 47 HB THR 693 2.910 -10.000 -17.490 372 HG1 THR 47 HG1 THR 693 2.244 -11.354 -19.120 373 HG21 THR 47 HG21 THR 693 4.995 -8.737 -17.659 374 HG22 THR 47 HG22 THR 693 5.308 -9.452 -19.262 375 HG23 THR 47 HG23 THR 693 3.912 -8.373 -19.016 376 H CYS 48 H CYS 694 4.513 -11.213 -14.945 377 HA CYS 48 HA CYS 694 2.646 -13.390 -14.361 378 HB2 CYS 48 HB2 CYS 694 3.506 -13.216 -12.185 379 HB3 CYS 48 HB3 CYS 694 4.874 -12.700 -13.055 380 H TYR 49 H TYR 695 0.626 -13.239 -13.360 381 HA TYR 49 HA TYR 695 -1.153 -11.267 -13.714 382 HB2 TYR 49 HB2 TYR 695 -2.357 -12.211 -12.023 383 HB3 TYR 49 HB3 TYR 695 -1.419 -13.540 -12.677 384 HD1 TYR 49 HD1 TYR 695 1.011 -13.897 -11.431 385 HD2 TYR 49 HD2 TYR 695 -2.504 -12.074 -9.674 386 HE1 TYR 49 HE1 TYR 695 1.909 -14.305 -9.174 387 HE2 TYR 49 HE2 TYR 695 -1.575 -12.487 -7.405 388 HH TYR 49 HH TYR 695 0.239 -13.244 -6.181 389 H VAL 50 H VAL 696 1.142 -11.052 -10.937 390 HA VAL 50 HA VAL 696 0.050 -8.698 -9.802 391 HB VAL 50 HB VAL 696 2.561 -10.244 -9.536 392 HG11 VAL 50 HG11 VAL 696 3.697 -8.603 -8.147 393 HG12 VAL 50 HG12 VAL 696 3.611 -8.094 -9.833 394 HG13 VAL 50 HG13 VAL 696 2.514 -7.362 -8.624 395 HG21 VAL 50 HG21 VAL 696 0.825 -8.909 -7.461 396 HG22 VAL 50 HG22 VAL 696 0.569 -10.542 -8.109 397 HG23 VAL 50 HG23 VAL 696 2.049 -10.185 -7.221 398 H CYS 51 H CYS 697 2.124 -9.090 -12.626 399 HA CYS 51 HA CYS 697 2.245 -6.196 -13.106 400 HB2 CYS 51 HB2 CYS 697 3.565 -8.472 -14.569 401 HB3 CYS 51 HB3 CYS 697 3.761 -6.769 -14.921 402 H GLN 52 H GLN 698 1.337 -9.204 -15.111 403 HA GLN 52 HA GLN 698 -0.124 -7.380 -16.890 404 HB2 GLN 52 HB2 GLN 698 -0.757 -9.492 -17.987 405 HB3 GLN 52 HB3 GLN 698 0.972 -9.244 -17.972 406 HG2 GLN 52 HG2 GLN 698 1.246 -11.097 -16.616 407 HG3 GLN 52 HG3 GLN 698 -0.279 -11.038 -15.859 408 HE21 GLN 52 HE21 GLN 698 -2.014 -12.460 -16.814 409 HE22 GLN 52 HE22 GLN 698 -1.658 -13.335 -18.290 410 H ASP 53 H ASP 699 -1.141 -9.603 -14.383 411 HA ASP 53 HA ASP 699 -3.119 -10.301 -13.540 412 HB2 ASP 53 HB2 ASP 699 -3.787 -7.960 -13.189 413 HB3 ASP 53 HB3 ASP 699 -4.331 -7.877 -14.847 414 H1 ALA 1 H1 ALA 1 12.564 -16.731 -19.903 415 H2 ALA 1 H2 ALA 1 13.443 -15.467 -19.314 416 H3 ALA 1 H3 ALA 1 12.034 -15.186 -20.055 417 HA ALA 1 HA ALA 1 11.700 -14.943 -17.674 418 HB1 ALA 1 HB1 ALA 1 9.681 -16.273 -17.523 419 HB2 ALA 1 HB2 ALA 1 9.834 -15.663 -19.153 420 HB3 ALA 1 HB3 ALA 1 10.206 -17.367 -18.801 421 H ARG 2 H ARG 2 14.319 -16.236 -17.570 422 HA ARG 2 HA ARG 2 15.717 -17.673 -16.693 423 HB2 ARG 2 HB2 ARG 2 14.807 -16.065 -14.846 424 HB3 ARG 2 HB3 ARG 2 14.248 -17.558 -14.083 425 HG2 ARG 2 HG2 ARG 2 16.371 -18.427 -13.798 426 HG3 ARG 2 HG3 ARG 2 17.122 -17.340 -14.971 427 HD2 ARG 2 HD2 ARG 2 15.849 -16.274 -12.422 428 HD3 ARG 2 HD3 ARG 2 17.509 -16.858 -12.444 429 HE ARG 2 HE ARG 2 16.383 -14.435 -13.670 430 HH11 ARG 2 HH11 ARG 2 19.265 -16.455 -13.580 431 HH12 ARG 2 HH12 ARG 2 20.281 -15.197 -14.231 432 HH21 ARG 2 HH21 ARG 2 17.742 -12.883 -14.489 433 HH22 ARG 2 HH22 ARG 2 19.435 -13.222 -14.736 434 H THR 3 H THR 3 12.821 -18.969 -15.171 435 HA THR 3 HA THR 3 12.212 -20.970 -14.445 436 HB THR 3 HB THR 3 12.413 -22.931 -16.125 437 HG1 THR 3 HG1 THR 3 13.979 -21.896 -17.527 438 HG21 THR 3 HG21 THR 3 10.974 -20.304 -16.555 439 HG22 THR 3 HG22 THR 3 10.495 -21.870 -17.265 440 HG23 THR 3 HG23 THR 3 10.428 -21.686 -15.556 441 H MLY 4 H MLY 4 12.373 -22.970 -13.607 442 HA MLY 4 HA MLY 4 15.001 -24.174 -13.167 443 HB2 MLY 4 HB2 MLY 4 15.183 -23.670 -10.876 444 HB3 MLY 4 HB3 MLY 4 14.640 -22.141 -11.561 445 HG2 MLY 4 HG2 MLY 4 12.268 -22.867 -10.923 446 HG3 MLY 4 HG3 MLY 4 13.020 -24.162 -9.979 447 HD2 MLY 4 HD2 MLY 4 14.509 -21.933 -9.219 448 HD3 MLY 4 HD3 MLY 4 12.909 -21.224 -9.463 449 HE2 MLY 4 HE2 MLY 4 11.948 -22.983 -7.901 450 HE3 MLY 4 HE3 MLY 4 13.553 -23.639 -7.684 451 HH11 MLY 4 HH11 MLY 4 15.331 -22.223 -6.665 452 HH12 MLY 4 HH12 MLY 4 14.933 -20.644 -7.377 453 HH13 MLY 4 HH13 MLY 4 14.839 -20.884 -5.628 454 HH21 MLY 4 HH21 MLY 4 11.298 -20.905 -6.710 455 HH22 MLY 4 HH22 MLY 4 12.519 -20.010 -5.805 456 HH23 MLY 4 HH23 MLY 4 12.539 -19.962 -7.575 457 HZ MLY 4 HZ MLY 4 13.039 -22.335 -5.857 458 H GLN 5 H GLN 5 14.841 -26.121 -11.837 459 HA GLN 5 HA GLN 5 12.162 -27.293 -11.425 460 HB2 GLN 5 HB2 GLN 5 14.382 -28.689 -12.956 461 HB3 GLN 5 HB3 GLN 5 12.913 -29.467 -12.365 462 HG2 GLN 5 HG2 GLN 5 11.545 -28.065 -13.853 463 HG3 GLN 5 HG3 GLN 5 12.995 -27.219 -14.423 464 HE21 GLN 5 HE21 GLN 5 11.920 -28.029 -16.546 465 HE22 GLN 5 HE22 GLN 5 12.465 -29.611 -17.088 466 H THR 6 H THR 6 12.099 -28.803 -9.728 467 HA THR 6 HA THR 6 14.164 -28.539 -7.705 468 HB THR 6 HB THR 6 12.766 -30.157 -6.415 469 HG1 THR 6 HG1 THR 6 11.807 -31.319 -8.093 470 HG21 THR 6 HG21 THR 6 11.278 -27.788 -7.625 471 HG22 THR 6 HG22 THR 6 10.839 -28.650 -6.132 472 HG23 THR 6 HG23 THR 6 12.364 -27.750 -6.220 473 H ALA 7 H ALA 7 15.578 -30.036 -6.863 474 HA ALA 7 HA ALA 7 16.555 -32.160 -8.591 475 HB1 ALA 7 HB1 ALA 7 17.246 -31.412 -5.710 476 HB2 ALA 7 HB2 ALA 7 18.172 -32.508 -6.761 477 HB3 ALA 7 HB3 ALA 7 18.042 -30.789 -7.173 478 H ARG 8 H ARG 8 16.752 -34.400 -7.981 479 HA ARG 8 HA ARG 8 15.007 -35.539 -5.913 480 HB2 ARG 8 HB2 ARG 8 13.801 -37.034 -7.479 481 HB3 ARG 8 HB3 ARG 8 13.372 -35.339 -7.660 482 HG2 ARG 8 HG2 ARG 8 14.737 -35.132 -9.674 483 HG3 ARG 8 HG3 ARG 8 15.337 -36.786 -9.501 484 HD2 ARG 8 HD2 ARG 8 12.389 -36.088 -9.830 485 HD3 ARG 8 HD3 ARG 8 13.453 -36.423 -11.188 486 HE ARG 8 HE ARG 8 12.404 -38.360 -9.230 487 HH11 ARG 8 HH11 ARG 8 14.768 -37.935 -11.810 488 HH12 ARG 8 HH12 ARG 8 14.911 -39.670 -12.050 489 HH21 ARG 8 HH21 ARG 8 12.687 -40.560 -9.652 490 HH22 ARG 8 HH22 ARG 8 13.815 -41.046 -10.910 491 H LYS 9 H LYS 9 15.368 -37.703 -5.445 492 HA LYS 9 HA LYS 9 18.041 -38.767 -6.089 493 HB2 LYS 9 HB2 LYS 9 17.604 -40.420 -4.402 494 HB3 LYS 9 HB3 LYS 9 17.189 -38.828 -3.780 495 HG2 LYS 9 HG2 LYS 9 14.771 -39.307 -4.183 496 HG3 LYS 9 HG3 LYS 9 15.200 -40.913 -4.806 497 HD2 LYS 9 HD2 LYS 9 16.215 -41.493 -2.615 498 HD3 LYS 9 HD3 LYS 9 15.773 -39.889 -1.986 499 HE2 LYS 9 HE2 LYS 9 13.376 -40.388 -2.418 500 HE3 LYS 9 HE3 LYS 9 13.817 -41.989 -3.039 501 HZ1 LYS 9 HZ1 LYS 9 13.137 -42.101 -0.705 502 HZ2 LYS 9 HZ2 LYS 9 14.708 -42.516 -0.818 503 HZ3 LYS 9 HZ3 LYS 9 14.288 -41.042 -0.250 504 H SER 10 H SER 10 18.319 -41.030 -6.624 505 HA SER 10 HA SER 10 18.222 -42.793 -8.033 506 HB2 SER 10 HB2 SER 10 15.206 -42.540 -7.805 507 HB3 SER 10 HB3 SER 10 16.112 -43.969 -8.312 508 HG SER 10 HG SER 10 15.567 -44.101 -6.101 509 H THR 11 H THR 11 17.167 -43.746 -10.131 510 HA THR 11 HA THR 11 17.779 -41.996 -12.338 511 HB THR 11 HB THR 11 16.373 -44.687 -12.251 512 HG1 THR 11 HG1 THR 11 18.582 -44.649 -11.617 513 HG21 THR 11 HG21 THR 11 15.744 -43.613 -14.353 514 HG22 THR 11 HG22 THR 11 17.429 -43.115 -14.642 515 HG23 THR 11 HG23 THR 11 16.981 -44.833 -14.666 516 HN1 NH2 12 H01 THR 11 16.518 -40.595 -13.392 517 HN2 NH2 12 H02 THR 11 14.786 -40.452 -13.191 Start of MODEL 11 1 H1 GLY -3 H1 GLY -3 13.822 -1.770 5.424 2 H2 GLY -3 H2 GLY -3 13.015 -2.023 6.828 3 H3 GLY -3 H3 GLY -3 14.485 -2.704 6.597 4 HA2 GLY -3 HA2 GLY -3 12.746 -4.368 6.348 5 HA3 GLY -3 HA3 GLY -3 12.014 -3.355 5.095 6 H HIS -2 H HIS -2 13.157 -6.157 5.035 7 HA HIS -2 HA HIS -2 15.703 -6.183 3.733 8 HB2 HIS -2 HB2 HIS -2 15.220 -8.549 3.364 9 HB3 HIS -2 HB3 HIS -2 14.805 -8.061 5.000 10 HD2 HIS -2 HD2 HIS -2 12.404 -8.646 5.828 11 HE1 HIS -2 HE1 HIS -2 10.586 -9.660 2.100 12 HE2 HIS -2 HE2 HIS -2 10.254 -9.587 4.628 13 H MET -1 H MET -1 12.551 -5.674 2.319 14 HA MET -1 HA MET -1 12.992 -6.603 -0.316 15 HB2 MET -1 HB2 MET -1 11.223 -4.860 -0.881 16 HB3 MET -1 HB3 MET -1 10.769 -6.166 0.216 17 HG2 MET -1 HG2 MET -1 11.564 -3.359 1.101 18 HG3 MET -1 HG3 MET -1 9.917 -3.820 0.716 19 HE1 MET -1 HE1 MET -1 8.869 -6.205 3.606 20 HE2 MET -1 HE2 MET -1 8.384 -5.390 2.106 21 HE3 MET -1 HE3 MET -1 9.536 -6.744 2.053 22 H ASP 0 H ASP 646 13.967 -3.519 1.066 23 HA ASP 0 HA ASP 646 14.757 -1.581 0.152 24 HB2 ASP 0 HB2 ASP 646 16.294 -3.641 -1.477 25 HB3 ASP 0 HB3 ASP 646 16.529 -1.919 -1.659 26 H ARG 1 H ARG 647 12.377 -2.676 -1.079 27 HA ARG 1 HA ARG 647 10.948 -2.601 -2.941 28 HB2 ARG 1 HB2 ARG 647 10.397 -0.400 -3.581 29 HB3 ARG 1 HB3 ARG 647 10.977 -0.417 -1.903 30 HG2 ARG 1 HG2 ARG 647 11.583 1.613 -2.960 31 HG3 ARG 1 HG3 ARG 647 12.932 0.693 -2.317 32 HD2 ARG 1 HD2 ARG 647 13.533 1.709 -4.465 33 HD3 ARG 1 HD3 ARG 647 13.531 -0.049 -4.538 34 HE ARG 1 HE ARG 647 11.696 -0.058 -5.964 35 HH11 ARG 1 HH11 ARG 647 10.354 0.803 -7.497 36 HH12 ARG 1 HH12 ARG 647 10.128 2.524 -7.608 37 HH21 ARG 1 HH21 ARG 647 12.251 3.275 -5.008 38 HH22 ARG 1 HH22 ARG 647 11.177 3.899 -6.229 39 H TYR 2 H TYR 648 13.795 -3.461 -3.460 40 HA TYR 2 HA TYR 648 14.239 -2.933 -6.263 41 HB2 TYR 2 HB2 TYR 648 15.657 -3.972 -3.960 42 HB3 TYR 2 HB3 TYR 648 15.768 -5.156 -5.250 43 HD1 TYR 2 HD1 TYR 648 16.297 -1.536 -4.461 44 HD2 TYR 2 HD2 TYR 648 17.300 -4.834 -7.055 45 HE1 TYR 2 HE1 TYR 648 18.073 -0.156 -5.507 46 HE2 TYR 2 HE2 TYR 648 19.080 -3.445 -8.120 47 HH TYR 2 HH TYR 648 19.748 -0.068 -7.104 48 H ASP 3 H ASP 649 14.565 -4.584 -7.896 49 HA ASP 3 HA ASP 649 12.566 -6.755 -7.899 50 HB2 ASP 3 HB2 ASP 649 14.660 -5.990 -9.963 51 HB3 ASP 3 HB3 ASP 649 13.389 -7.198 -10.163 52 H PHE 4 H PHE 650 13.028 -8.502 -6.747 53 HA PHE 4 HA PHE 650 15.648 -9.919 -6.977 54 HB2 PHE 4 HB2 PHE 650 13.867 -9.364 -4.558 55 HB3 PHE 4 HB3 PHE 650 15.123 -10.563 -4.563 56 HD1 PHE 4 HD1 PHE 650 14.529 -7.697 -3.049 57 HD2 PHE 4 HD2 PHE 650 17.436 -9.202 -5.869 58 HE1 PHE 4 HE1 PHE 650 16.193 -6.064 -2.216 59 HE2 PHE 4 HE2 PHE 650 19.080 -7.546 -5.048 60 HZ PHE 4 HZ PHE 650 18.474 -5.987 -3.205 61 H GLU 5 H GLU 651 15.540 -12.163 -6.410 62 HA GLU 5 HA GLU 651 13.459 -13.577 -7.827 63 HB2 GLU 5 HB2 GLU 651 15.518 -14.758 -5.893 64 HB3 GLU 5 HB3 GLU 651 14.857 -15.508 -7.338 65 HG2 GLU 5 HG2 GLU 651 16.829 -13.206 -7.389 66 HG3 GLU 5 HG3 GLU 651 17.223 -14.910 -7.508 67 H VAL 6 H VAL 652 11.515 -13.338 -7.000 68 HA VAL 6 HA VAL 652 10.887 -14.016 -4.133 69 HB VAL 6 HB VAL 652 9.987 -11.760 -5.929 70 HG11 VAL 6 HG11 VAL 652 7.961 -12.502 -4.746 71 HG12 VAL 6 HG12 VAL 652 8.843 -12.544 -3.196 72 HG13 VAL 6 HG13 VAL 652 8.539 -11.002 -4.023 73 HG21 VAL 6 HG21 VAL 652 12.090 -11.363 -4.665 74 HG22 VAL 6 HG22 VAL 652 10.790 -10.289 -4.159 75 HG23 VAL 6 HG23 VAL 652 11.233 -11.691 -3.145 76 H VAL 7 H VAL 653 9.893 -15.906 -4.130 77 HA VAL 7 HA VAL 653 8.262 -16.730 -6.386 78 HB VAL 7 HB VAL 653 8.558 -17.965 -3.608 79 HG11 VAL 7 HG11 VAL 653 7.194 -18.991 -6.137 80 HG12 VAL 7 HG12 VAL 653 7.596 -19.986 -4.706 81 HG13 VAL 7 HG13 VAL 653 6.382 -18.701 -4.606 82 HG21 VAL 7 HG21 VAL 653 10.576 -18.008 -5.145 83 HG22 VAL 7 HG22 VAL 653 9.904 -19.630 -4.773 84 HG23 VAL 7 HG23 VAL 653 9.576 -18.862 -6.335 85 H ARG 8 H ARG 654 6.540 -15.524 -6.782 86 HA ARG 8 HA ARG 654 4.383 -15.229 -4.721 87 HB2 ARG 8 HB2 ARG 654 5.844 -13.089 -6.192 88 HB3 ARG 8 HB3 ARG 654 4.091 -13.019 -6.396 89 HG2 ARG 8 HG2 ARG 654 3.826 -12.965 -3.945 90 HG3 ARG 8 HG3 ARG 654 5.549 -13.207 -3.736 91 HD2 ARG 8 HD2 ARG 654 6.025 -10.936 -4.492 92 HD3 ARG 8 HD3 ARG 654 4.686 -10.982 -5.620 93 HE ARG 8 HE ARG 654 3.373 -9.881 -4.050 94 HH11 ARG 8 HH11 ARG 654 5.911 -11.433 -2.164 95 HH12 ARG 8 HH12 ARG 654 5.333 -10.725 -0.678 96 HH21 ARG 8 HH21 ARG 654 2.718 -9.044 -2.141 97 HH22 ARG 8 HH22 ARG 654 3.578 -9.401 -0.676 98 H CYS 9 H CYS 655 3.445 -16.951 -5.453 99 HA CYS 9 HA CYS 655 2.265 -16.969 -8.223 100 HB2 CYS 9 HB2 CYS 655 3.308 -19.059 -7.322 101 HB3 CYS 9 HB3 CYS 655 2.157 -19.049 -6.037 102 H ILE 10 H ILE 656 -0.011 -17.165 -8.536 103 HA ILE 10 HA ILE 656 -1.816 -15.636 -7.013 104 HB ILE 10 HB ILE 656 -3.618 -17.021 -8.107 105 HG12 ILE 10 HG12 ILE 656 -2.990 -18.423 -10.047 106 HG13 ILE 10 HG13 ILE 656 -1.321 -18.499 -9.485 107 HG21 ILE 10 HG21 ILE 656 -2.981 -16.136 -10.377 108 HG22 ILE 10 HG22 ILE 656 -2.796 -14.989 -9.039 109 HG23 ILE 10 HG23 ILE 656 -1.365 -15.790 -9.706 110 HD11 ILE 10 HD11 ILE 656 -1.944 -19.976 -7.730 111 HD12 ILE 10 HD12 ILE 656 -3.665 -19.501 -7.815 112 HD13 ILE 10 HD13 ILE 656 -2.925 -20.488 -9.089 113 H CYS 11 H CYS 657 -0.469 -18.555 -6.257 114 HA CYS 11 HA CYS 657 -2.528 -19.807 -4.650 115 HB2 CYS 11 HB2 CYS 657 0.369 -20.171 -5.362 116 HB3 CYS 11 HB3 CYS 657 -0.247 -21.024 -3.869 117 H GLU 12 H GLU 658 -0.421 -17.084 -4.200 118 HA GLU 12 HA GLU 658 0.637 -16.032 -2.562 119 HB2 GLU 12 HB2 GLU 658 -2.029 -16.668 -1.229 120 HB3 GLU 12 HB3 GLU 658 -0.887 -15.447 -0.609 121 HG2 GLU 12 HG2 GLU 658 -1.026 -14.280 -2.828 122 HG3 GLU 12 HG3 GLU 658 -2.309 -15.395 -3.302 123 H VAL 13 H VAL 659 1.557 -18.402 -2.819 124 HA VAL 13 HA VAL 659 2.625 -19.051 -0.151 125 HB VAL 13 HB VAL 659 0.900 -20.715 -1.194 126 HG11 VAL 13 HG11 VAL 659 1.774 -22.451 -2.599 127 HG12 VAL 13 HG12 VAL 659 1.938 -20.884 -3.419 128 HG13 VAL 13 HG13 VAL 659 3.354 -21.649 -2.705 129 HG21 VAL 13 HG21 VAL 659 3.577 -21.615 -0.059 130 HG22 VAL 13 HG22 VAL 659 2.122 -21.169 0.843 131 HG23 VAL 13 HG23 VAL 659 2.118 -22.623 -0.162 132 H GLN 14 H GLN 660 4.753 -19.029 -0.093 133 HA GLN 14 HA GLN 660 6.356 -18.614 -2.525 134 HB2 GLN 14 HB2 GLN 660 7.088 -18.731 0.388 135 HB3 GLN 14 HB3 GLN 660 8.268 -18.585 -0.923 136 HG2 GLN 14 HG2 GLN 660 7.751 -16.449 0.195 137 HG3 GLN 14 HG3 GLN 660 7.443 -16.420 -1.525 138 HE21 GLN 14 HE21 GLN 660 5.236 -16.077 -2.252 139 HE22 GLN 14 HE22 GLN 660 3.956 -15.713 -1.085 140 H GLU 15 H GLU 661 5.004 -21.356 -1.645 141 HA GLU 15 HA GLU 661 7.036 -23.307 -1.209 142 HB2 GLU 15 HB2 GLU 661 4.683 -23.634 -0.530 143 HB3 GLU 15 HB3 GLU 661 4.195 -23.624 -2.225 144 HG2 GLU 15 HG2 GLU 661 4.236 -25.873 -1.349 145 HG3 GLU 15 HG3 GLU 661 5.409 -25.692 -2.645 146 H GLU 16 H GLU 662 7.589 -24.996 -2.766 147 HA GLU 16 HA GLU 662 7.747 -24.049 -5.464 148 HB2 GLU 16 HB2 GLU 662 9.895 -25.790 -4.821 149 HB3 GLU 16 HB3 GLU 662 9.761 -24.514 -5.953 150 HG2 GLU 16 HG2 GLU 662 11.147 -23.416 -4.713 151 HG3 GLU 16 HG3 GLU 662 9.720 -22.863 -3.910 152 H ASN 17 H ASN 663 6.687 -25.112 -6.425 153 HA ASN 17 HA ASN 663 5.924 -27.920 -6.397 154 HB2 ASN 17 HB2 ASN 663 5.519 -25.756 -8.474 155 HB3 ASN 17 HB3 ASN 663 5.188 -27.425 -8.844 156 HD21 ASN 17 HD21 ASN 663 1.918 -26.422 -8.024 157 HD22 ASN 17 HD22 ASN 663 3.024 -26.561 -9.349 158 H ASP 18 H ASP 664 6.368 -29.272 -8.450 159 HA ASP 18 HA ASP 664 9.102 -29.816 -9.016 160 HB2 ASP 18 HB2 ASP 664 6.554 -30.334 -10.623 161 HB3 ASP 18 HB3 ASP 664 8.118 -30.953 -11.040 162 H PHE 19 H PHE 665 6.937 -27.538 -10.616 163 HA PHE 19 HA PHE 665 9.239 -26.523 -12.152 164 HB2 PHE 19 HB2 PHE 665 7.665 -27.707 -13.741 165 HB3 PHE 19 HB3 PHE 665 6.346 -26.766 -13.093 166 HD1 PHE 19 HD1 PHE 665 5.614 -25.338 -14.768 167 HD2 PHE 19 HD2 PHE 665 9.860 -25.948 -14.190 168 HE1 PHE 19 HE1 PHE 665 6.125 -23.739 -16.599 169 HE2 PHE 19 HE2 PHE 665 10.338 -24.295 -15.938 170 HZ PHE 19 HZ PHE 665 8.463 -23.288 -17.212 171 H MET 20 H MET 666 9.722 -24.396 -12.077 172 HA MET 20 HA MET 666 7.605 -22.511 -11.454 173 HB2 MET 20 HB2 MET 666 10.274 -22.160 -10.096 174 HB3 MET 20 HB3 MET 666 8.931 -21.156 -9.863 175 HG2 MET 20 HG2 MET 666 7.823 -23.450 -9.118 176 HG3 MET 20 HG3 MET 666 9.465 -24.021 -8.958 177 HE1 MET 20 HE1 MET 666 7.193 -21.449 -6.187 178 HE2 MET 20 HE2 MET 666 7.702 -20.440 -7.599 179 HE3 MET 20 HE3 MET 666 6.769 -21.917 -7.841 180 H ILE 21 H ILE 667 7.960 -20.349 -12.188 181 HA ILE 21 HA ILE 667 10.118 -19.978 -14.197 182 HB ILE 21 HB ILE 667 7.346 -18.894 -14.631 183 HG12 ILE 21 HG12 ILE 667 8.250 -21.193 -16.355 184 HG13 ILE 21 HG13 ILE 667 7.663 -21.597 -14.740 185 HG21 ILE 21 HG21 ILE 667 9.399 -19.406 -16.893 186 HG22 ILE 21 HG22 ILE 667 7.828 -18.672 -17.061 187 HG23 ILE 21 HG23 ILE 667 9.069 -17.838 -16.124 188 HD11 ILE 21 HD11 ILE 667 6.193 -20.039 -16.795 189 HD12 ILE 21 HD12 ILE 667 5.854 -21.644 -16.158 190 HD13 ILE 21 HD13 ILE 667 5.676 -20.220 -15.091 191 H GLN 22 H GLN 668 10.575 -17.675 -14.655 192 HA GLN 22 HA GLN 668 9.857 -15.913 -12.314 193 HB2 GLN 22 HB2 GLN 668 12.258 -16.353 -12.337 194 HB3 GLN 22 HB3 GLN 668 12.283 -16.095 -14.105 195 HG2 GLN 22 HG2 GLN 668 12.083 -13.697 -13.913 196 HG3 GLN 22 HG3 GLN 668 11.445 -13.889 -12.304 197 HE21 GLN 22 HE21 GLN 668 13.029 -13.628 -10.531 198 HE22 GLN 22 HE22 GLN 668 14.752 -13.724 -10.869 199 H CYS 23 H CYS 669 8.884 -14.006 -12.626 200 HA CYS 23 HA CYS 669 7.821 -13.174 -15.188 201 HB2 CYS 23 HB2 CYS 669 6.826 -12.670 -12.947 202 HB3 CYS 23 HB3 CYS 669 8.250 -11.728 -12.538 203 H GLU 24 H GLU 670 8.641 -11.910 -16.701 204 HA GLU 24 HA GLU 670 11.458 -11.123 -16.531 205 HB2 GLU 24 HB2 GLU 670 11.143 -10.367 -18.758 206 HB3 GLU 24 HB3 GLU 670 10.378 -11.934 -18.625 207 HG2 GLU 24 HG2 GLU 670 8.483 -10.901 -19.525 208 HG3 GLU 24 HG3 GLU 670 8.289 -10.289 -17.935 209 H GLU 25 H GLU 671 8.536 -9.536 -15.577 210 HA GLU 25 HA GLU 671 9.609 -6.821 -15.964 211 HB2 GLU 25 HB2 GLU 671 7.300 -7.460 -16.457 212 HB3 GLU 25 HB3 GLU 671 7.013 -7.779 -14.802 213 HG2 GLU 25 HG2 GLU 671 6.115 -5.582 -15.662 214 HG3 GLU 25 HG3 GLU 671 7.004 -5.548 -14.160 215 H CYS 26 H CYS 672 8.327 -8.598 -13.148 216 HA CYS 26 HA CYS 672 9.924 -6.862 -11.416 217 HB2 CYS 26 HB2 CYS 672 8.447 -7.363 -9.735 218 HB3 CYS 26 HB3 CYS 672 7.489 -6.812 -11.121 219 H GLN 27 H GLN 673 10.361 -9.886 -12.606 220 HA GLN 27 HA GLN 673 11.725 -11.494 -12.163 221 HB2 GLN 27 HB2 GLN 673 12.689 -9.481 -10.286 222 HB3 GLN 27 HB3 GLN 673 12.914 -10.984 -9.624 223 HG2 GLN 27 HG2 GLN 673 14.819 -11.255 -10.712 224 HG3 GLN 27 HG3 GLN 673 14.015 -11.354 -12.238 225 HE21 GLN 27 HE21 GLN 673 13.396 -9.233 -13.388 226 HE22 GLN 27 HE22 GLN 673 14.584 -7.957 -13.252 227 H CYS 28 H CYS 674 9.032 -11.158 -10.319 228 HA CYS 28 HA CYS 674 9.648 -13.053 -8.298 229 HB2 CYS 28 HB2 CYS 674 7.192 -13.109 -7.977 230 HB3 CYS 28 HB3 CYS 674 7.913 -11.434 -8.077 231 HG CYS 28 HG CYS 674 5.566 -11.377 -9.240 232 H TRP 29 H TRP 675 8.946 -15.180 -7.969 233 HA TRP 29 HA TRP 675 8.862 -16.766 -10.427 234 HB2 TRP 29 HB2 TRP 675 9.888 -17.155 -7.656 235 HB3 TRP 29 HB3 TRP 675 9.616 -18.558 -8.700 236 HD1 TRP 29 HD1 TRP 675 11.806 -15.468 -8.341 237 HE1 TRP 29 HE1 TRP 675 14.059 -15.833 -9.627 238 HE3 TRP 29 HE3 TRP 675 10.603 -19.740 -10.780 239 HZ2 TRP 29 HZ2 TRP 675 15.127 -17.835 -11.322 240 HZ3 TRP 29 HZ3 TRP 675 12.275 -20.840 -12.304 241 HH2 TRP 29 HH2 TRP 675 14.541 -19.908 -12.550 242 H GLN 30 H GLN 676 7.374 -18.445 -10.852 243 HA GLN 30 HA GLN 676 5.243 -18.827 -8.790 244 HB2 GLN 30 HB2 GLN 676 4.792 -18.278 -11.769 245 HB3 GLN 30 HB3 GLN 676 3.535 -18.671 -10.590 246 HG2 GLN 30 HG2 GLN 676 3.330 -16.399 -10.785 247 HG3 GLN 30 HG3 GLN 676 4.216 -16.735 -9.287 248 HE21 GLN 30 HE21 GLN 676 5.268 -14.724 -9.211 249 HE22 GLN 30 HE22 GLN 676 6.466 -14.273 -10.441 250 H HIS 31 H HIS 677 3.864 -20.689 -9.268 251 HA HIS 31 HA HIS 677 5.371 -22.922 -10.443 252 HB2 HIS 31 HB2 HIS 677 2.383 -22.925 -9.858 253 HB3 HIS 31 HB3 HIS 677 3.503 -24.254 -9.900 254 HD2 HIS 31 HD2 HIS 677 5.610 -23.661 -7.955 255 HE1 HIS 31 HE1 HIS 677 2.800 -22.418 -4.981 256 HE2 HIS 31 HE2 HIS 677 5.164 -23.152 -5.358 257 H GLY 32 H GLY 678 5.520 -23.002 -12.664 258 HA2 GLY 32 HA2 GLY 678 4.037 -21.344 -14.302 259 HA3 GLY 32 HA3 GLY 678 4.764 -22.900 -14.878 260 H VAL 33 H VAL 679 3.073 -24.551 -13.275 261 HA VAL 33 HA VAL 679 0.927 -24.879 -15.160 262 HB VAL 33 HB VAL 679 2.120 -26.633 -14.028 263 HG11 VAL 33 HG11 VAL 679 2.147 -25.716 -11.690 264 HG12 VAL 33 HG12 VAL 679 0.394 -25.966 -11.581 265 HG13 VAL 33 HG13 VAL 679 1.486 -27.356 -11.751 266 HG21 VAL 33 HG21 VAL 679 -0.893 -26.807 -13.575 267 HG22 VAL 33 HG22 VAL 679 -0.053 -27.089 -15.118 268 HG23 VAL 33 HG23 VAL 679 0.237 -28.163 -13.743 269 H CYS 34 H CYS 680 1.151 -22.940 -12.309 270 HA CYS 34 HA CYS 680 -1.728 -22.559 -11.760 271 HB2 CYS 34 HB2 CYS 680 0.780 -21.174 -10.787 272 HB3 CYS 34 HB3 CYS 680 -0.823 -20.794 -10.319 273 H MET 35 H MET 681 0.863 -21.163 -13.662 274 HA MET 35 HA MET 681 -0.509 -18.612 -14.322 275 HB2 MET 35 HB2 MET 681 2.287 -19.679 -14.862 276 HB3 MET 35 HB3 MET 681 1.715 -18.079 -15.207 277 HG2 MET 35 HG2 MET 681 1.694 -19.062 -12.357 278 HG3 MET 35 HG3 MET 681 3.103 -18.333 -13.119 279 HE1 MET 35 HE1 MET 681 -0.625 -16.060 -11.764 280 HE2 MET 35 HE2 MET 681 -0.766 -17.689 -12.448 281 HE3 MET 35 HE3 MET 681 0.135 -17.437 -10.928 282 H GLY 36 H GLY 682 -0.259 -21.760 -15.687 283 HA2 GLY 36 HA2 GLY 682 -1.134 -22.585 -17.647 284 HA3 GLY 36 HA3 GLY 682 -1.361 -20.953 -18.281 285 H LEU 37 H LEU 683 1.686 -22.113 -16.956 286 HA LEU 37 HA LEU 683 2.750 -22.509 -19.687 287 HB2 LEU 37 HB2 LEU 683 4.461 -21.262 -17.621 288 HB3 LEU 37 HB3 LEU 683 4.690 -21.126 -19.325 289 HG LEU 37 HG LEU 683 2.242 -19.674 -18.456 290 HD11 LEU 37 HD11 LEU 683 3.116 -18.000 -17.141 291 HD12 LEU 37 HD12 LEU 683 3.773 -19.447 -16.368 292 HD13 LEU 37 HD13 LEU 683 4.801 -18.452 -17.418 293 HD21 LEU 37 HD21 LEU 683 4.907 -18.815 -19.602 294 HD22 LEU 37 HD22 LEU 683 3.497 -19.415 -20.560 295 HD23 LEU 37 HD23 LEU 683 3.355 -17.901 -19.623 296 H LEU 38 H LEU 684 4.728 -23.800 -19.710 297 HA LEU 38 HA LEU 684 5.237 -25.695 -17.562 298 HB2 LEU 38 HB2 LEU 684 3.929 -26.149 -20.251 299 HB3 LEU 38 HB3 LEU 684 5.308 -27.151 -19.916 300 HG LEU 38 HG LEU 684 2.990 -28.034 -19.368 301 HD11 LEU 38 HD11 LEU 684 4.016 -29.356 -17.541 302 HD12 LEU 38 HD12 LEU 684 5.180 -29.026 -18.852 303 HD13 LEU 38 HD13 LEU 684 5.265 -28.095 -17.345 304 HD21 LEU 38 HD21 LEU 684 3.315 -26.534 -16.767 305 HD22 LEU 38 HD22 LEU 684 2.157 -26.124 -18.057 306 HD23 LEU 38 HD23 LEU 684 2.047 -27.685 -17.216 307 H GLU 39 H GLU 685 7.356 -26.808 -18.090 308 HA GLU 39 HA GLU 685 9.341 -25.062 -19.117 309 HB2 GLU 39 HB2 GLU 685 10.731 -27.126 -19.220 310 HB3 GLU 39 HB3 GLU 685 10.051 -26.826 -17.630 311 HG2 GLU 39 HG2 GLU 685 9.953 -29.130 -17.945 312 HG3 GLU 39 HG3 GLU 685 8.313 -28.516 -17.954 313 H GLU 40 H GLU 686 7.233 -27.263 -20.859 314 HA GLU 40 HA GLU 686 8.673 -27.088 -23.357 315 HB2 GLU 40 HB2 GLU 686 6.498 -27.542 -24.480 316 HB3 GLU 40 HB3 GLU 686 7.073 -28.790 -23.364 317 HG2 GLU 40 HG2 GLU 686 5.429 -28.326 -21.791 318 HG3 GLU 40 HG3 GLU 686 5.050 -26.713 -22.464 319 H ASN 41 H ASN 687 6.275 -24.913 -21.888 320 HA ASN 41 HA ASN 687 6.185 -23.315 -24.402 321 HB2 ASN 41 HB2 ASN 687 4.508 -23.130 -21.912 322 HB3 ASN 41 HB3 ASN 687 4.215 -22.275 -23.357 323 HD21 ASN 41 HD21 ASN 687 1.792 -24.992 -23.206 324 HD22 ASN 41 HD22 ASN 687 2.194 -23.681 -22.148 325 H VAL 42 H VAL 688 8.163 -23.046 -21.719 326 HA VAL 42 HA VAL 688 7.778 -20.531 -20.607 327 HB VAL 42 HB VAL 688 10.436 -21.835 -21.174 328 HG11 VAL 42 HG11 VAL 688 11.400 -20.381 -19.505 329 HG12 VAL 42 HG12 VAL 688 10.771 -19.381 -20.780 330 HG13 VAL 42 HG13 VAL 688 9.846 -19.530 -19.277 331 HG21 VAL 42 HG21 VAL 688 8.797 -23.043 -19.776 332 HG22 VAL 42 HG22 VAL 688 10.345 -22.687 -19.075 333 HG23 VAL 42 HG23 VAL 688 8.900 -21.692 -18.628 334 HA PRO 43 HA PRO 689 8.627 -17.980 -24.249 335 HB2 PRO 43 HB2 PRO 689 7.306 -15.748 -23.418 336 HB3 PRO 43 HB3 PRO 689 6.402 -17.188 -23.937 337 HG2 PRO 43 HG2 PRO 689 7.098 -16.294 -21.155 338 HG3 PRO 43 HG3 PRO 689 5.502 -16.821 -21.766 339 HD2 PRO 43 HD2 PRO 689 7.238 -18.522 -20.429 340 HD3 PRO 43 HD3 PRO 689 6.183 -19.102 -21.678 341 H GLU 44 H GLU 690 9.681 -15.942 -24.603 342 HA GLU 44 HA GLU 690 12.058 -15.633 -22.960 343 HB2 GLU 44 HB2 GLU 690 10.940 -13.948 -25.264 344 HB3 GLU 44 HB3 GLU 690 12.532 -13.759 -24.542 345 HG2 GLU 44 HG2 GLU 690 12.900 -14.938 -26.533 346 HG3 GLU 44 HG3 GLU 690 13.093 -16.110 -25.233 347 H LYS 45 H LYS 691 8.969 -13.940 -23.387 348 HA LYS 45 HA LYS 691 9.466 -12.470 -20.868 349 HB2 LYS 45 HB2 LYS 691 8.260 -11.399 -23.445 350 HB3 LYS 45 HB3 LYS 691 8.068 -10.687 -21.884 351 HG2 LYS 45 HG2 LYS 691 10.574 -10.437 -21.682 352 HG3 LYS 45 HG3 LYS 691 10.728 -10.975 -23.365 353 HD2 LYS 45 HD2 LYS 691 9.305 -9.111 -24.125 354 HD3 LYS 45 HD3 LYS 691 9.076 -8.565 -22.467 355 HE2 LYS 45 HE2 LYS 691 11.682 -8.528 -24.067 356 HE3 LYS 45 HE3 LYS 691 10.682 -7.156 -23.607 357 HZ1 LYS 45 HZ1 LYS 691 12.376 -7.194 -22.003 358 HZ2 LYS 45 HZ2 LYS 691 11.125 -7.913 -21.198 359 HZ3 LYS 45 HZ3 LYS 691 12.341 -8.814 -21.809 360 H TYR 46 H TYR 692 8.409 -14.235 -19.943 361 HA TYR 46 HA TYR 692 5.435 -14.081 -20.129 362 HB2 TYR 46 HB2 TYR 692 5.794 -16.240 -19.408 363 HB3 TYR 46 HB3 TYR 692 7.353 -15.914 -18.721 364 HD1 TYR 46 HD1 TYR 692 3.687 -15.612 -18.129 365 HD2 TYR 46 HD2 TYR 692 7.657 -15.558 -16.472 366 HE1 TYR 46 HE1 TYR 692 2.727 -15.415 -15.793 367 HE2 TYR 46 HE2 TYR 692 6.703 -15.531 -14.166 368 HH TYR 46 HH TYR 692 4.818 -15.636 -12.975 369 H THR 47 H THR 693 4.279 -12.661 -19.212 370 HA THR 47 HA THR 693 5.219 -10.949 -16.976 371 HB THR 47 HB THR 693 2.863 -9.977 -17.500 372 HG1 THR 47 HG1 THR 693 2.181 -11.332 -19.124 373 HG21 THR 47 HG21 THR 693 4.957 -8.725 -17.685 374 HG22 THR 47 HG22 THR 693 5.251 -9.453 -19.287 375 HG23 THR 47 HG23 THR 693 3.867 -8.363 -19.040 376 H CYS 48 H CYS 694 4.463 -11.192 -14.955 377 HA CYS 48 HA CYS 694 2.615 -13.374 -14.355 378 HB2 CYS 48 HB2 CYS 694 3.493 -13.191 -12.187 379 HB3 CYS 48 HB3 CYS 694 4.850 -12.676 -13.070 380 H TYR 49 H TYR 695 0.589 -13.221 -13.362 381 HA TYR 49 HA TYR 695 -1.185 -11.240 -13.686 382 HB2 TYR 49 HB2 TYR 695 -2.374 -12.196 -11.984 383 HB3 TYR 49 HB3 TYR 695 -1.435 -13.517 -12.654 384 HD1 TYR 49 HD1 TYR 695 0.996 -13.892 -11.419 385 HD2 TYR 49 HD2 TYR 695 -2.486 -12.040 -9.627 386 HE1 TYR 49 HE1 TYR 695 1.916 -14.300 -9.176 387 HE2 TYR 49 HE2 TYR 695 -1.538 -12.453 -7.373 388 HH TYR 49 HH TYR 695 0.285 -13.224 -6.165 389 H VAL 50 H VAL 696 1.135 -11.036 -10.921 390 HA VAL 50 HA VAL 696 0.064 -8.668 -9.784 391 HB VAL 50 HB VAL 696 2.565 -10.233 -9.537 392 HG11 VAL 50 HG11 VAL 696 2.549 -7.348 -8.614 393 HG12 VAL 50 HG12 VAL 696 3.728 -8.604 -8.156 394 HG13 VAL 50 HG13 VAL 696 3.627 -8.081 -9.839 395 HG21 VAL 50 HG21 VAL 696 2.078 -10.163 -7.216 396 HG22 VAL 50 HG22 VAL 696 0.856 -8.885 -7.445 397 HG23 VAL 50 HG23 VAL 696 0.590 -10.518 -8.092 398 H CYS 51 H CYS 697 2.110 -9.077 -12.631 399 HA CYS 51 HA CYS 697 2.233 -6.176 -13.097 400 HB2 CYS 51 HB2 CYS 697 3.539 -8.446 -14.577 401 HB3 CYS 51 HB3 CYS 697 3.727 -6.743 -14.933 402 H GLN 52 H GLN 698 1.307 -9.176 -15.091 403 HA GLN 52 HA GLN 698 -0.168 -7.347 -16.861 404 HB2 GLN 52 HB2 GLN 698 -0.802 -9.456 -17.957 405 HB3 GLN 52 HB3 GLN 698 0.922 -9.208 -17.950 406 HG2 GLN 52 HG2 GLN 698 1.204 -11.070 -16.600 407 HG3 GLN 52 HG3 GLN 698 -0.314 -11.008 -15.833 408 HE21 GLN 52 HE21 GLN 698 -2.064 -12.423 -16.786 409 HE22 GLN 52 HE22 GLN 698 -1.712 -13.289 -18.268 410 H ASP 53 H ASP 699 -1.169 -9.578 -14.354 411 HA ASP 53 HA ASP 699 -3.144 -10.281 -13.509 412 HB2 ASP 53 HB2 ASP 699 -3.815 -7.938 -13.131 413 HB3 ASP 53 HB3 ASP 699 -4.345 -7.839 -14.796 414 H1 ALA 1 H1 ALA 1 11.875 -14.641 -20.031 415 H2 ALA 1 H2 ALA 1 12.339 -16.209 -20.236 416 H3 ALA 1 H3 ALA 1 13.317 -15.145 -19.466 417 HA ALA 1 HA ALA 1 11.670 -14.907 -17.651 418 HB1 ALA 1 HB1 ALA 1 9.780 -16.459 -17.534 419 HB2 ALA 1 HB2 ALA 1 9.654 -15.495 -19.001 420 HB3 ALA 1 HB3 ALA 1 10.181 -17.187 -19.071 421 H ARG 2 H ARG 2 13.269 -15.727 -16.152 422 HA ARG 2 HA ARG 2 14.912 -18.014 -16.541 423 HB2 ARG 2 HB2 ARG 2 14.825 -15.932 -14.777 424 HB3 ARG 2 HB3 ARG 2 14.268 -17.230 -13.716 425 HG2 ARG 2 HG2 ARG 2 16.275 -18.451 -13.963 426 HG3 ARG 2 HG3 ARG 2 16.886 -17.306 -15.186 427 HD2 ARG 2 HD2 ARG 2 16.938 -15.488 -13.551 428 HD3 ARG 2 HD3 ARG 2 16.133 -16.442 -12.327 429 HE ARG 2 HE ARG 2 18.760 -17.350 -13.485 430 HH11 ARG 2 HH11 ARG 2 17.127 -16.217 -10.524 431 HH12 ARG 2 HH12 ARG 2 18.499 -16.700 -9.568 432 HH21 ARG 2 HH21 ARG 2 20.408 -17.883 -12.147 433 HH22 ARG 2 HH22 ARG 2 20.284 -17.587 -10.443 434 H THR 3 H THR 3 14.888 -20.154 -15.601 435 HA THR 3 HA THR 3 12.381 -21.064 -14.312 436 HB THR 3 HB THR 3 12.455 -23.115 -15.892 437 HG1 THR 3 HG1 THR 3 14.184 -22.540 -17.206 438 HG21 THR 3 HG21 THR 3 10.593 -21.465 -15.553 439 HG22 THR 3 HG22 THR 3 11.298 -20.471 -16.849 440 HG23 THR 3 HG23 THR 3 10.679 -22.112 -17.141 441 H MLY 4 H MLY 4 12.373 -23.064 -13.316 442 HA MLY 4 HA MLY 4 14.929 -24.398 -12.790 443 HB2 MLY 4 HB2 MLY 4 14.886 -23.942 -10.392 444 HB3 MLY 4 HB3 MLY 4 14.761 -22.388 -11.235 445 HG2 MLY 4 HG2 MLY 4 12.215 -22.708 -11.005 446 HG3 MLY 4 HG3 MLY 4 12.586 -23.937 -9.794 447 HD2 MLY 4 HD2 MLY 4 13.724 -21.105 -9.640 448 HD3 MLY 4 HD3 MLY 4 12.116 -21.482 -9.033 449 HE2 MLY 4 HE2 MLY 4 13.134 -23.262 -7.535 450 HE3 MLY 4 HE3 MLY 4 14.722 -22.748 -8.071 451 HH11 MLY 4 HH11 MLY 4 15.552 -20.486 -7.517 452 HH12 MLY 4 HH12 MLY 4 14.097 -19.584 -7.968 453 HH13 MLY 4 HH13 MLY 4 14.706 -19.515 -6.308 454 HH21 MLY 4 HH21 MLY 4 12.423 -20.319 -5.466 455 HH22 MLY 4 HH22 MLY 4 11.894 -20.276 -7.152 456 HH23 MLY 4 HH23 MLY 4 11.711 -21.755 -6.202 457 HZ MLY 4 HZ MLY 4 14.174 -21.796 -5.987 458 H GLN 5 H GLN 5 14.723 -26.452 -11.872 459 HA GLN 5 HA GLN 5 11.955 -27.529 -11.574 460 HB2 GLN 5 HB2 GLN 5 14.197 -28.835 -13.157 461 HB3 GLN 5 HB3 GLN 5 12.651 -29.566 -12.768 462 HG2 GLN 5 HG2 GLN 5 12.353 -28.886 -14.934 463 HG3 GLN 5 HG3 GLN 5 11.492 -27.691 -13.990 464 HE21 GLN 5 HE21 GLN 5 15.019 -28.003 -14.945 465 HE22 GLN 5 HE22 GLN 5 15.060 -26.426 -15.715 466 H THR 6 H THR 6 13.998 -26.725 -9.582 467 HA THR 6 HA THR 6 14.837 -27.355 -7.582 468 HB THR 6 HB THR 6 13.637 -28.854 -6.208 469 HG1 THR 6 HG1 THR 6 12.823 -29.980 -8.634 470 HG21 THR 6 HG21 THR 6 11.355 -28.128 -6.457 471 HG22 THR 6 HG22 THR 6 12.435 -26.780 -6.868 472 HG23 THR 6 HG23 THR 6 11.608 -27.686 -8.156 473 H ALA 7 H ALA 7 16.040 -28.740 -10.056 474 HA ALA 7 HA ALA 7 17.892 -30.514 -8.582 475 HB1 ALA 7 HB1 ALA 7 17.573 -32.326 -10.238 476 HB2 ALA 7 HB2 ALA 7 16.061 -31.980 -9.380 477 HB3 ALA 7 HB3 ALA 7 16.299 -31.383 -11.037 478 H ARG 8 H ARG 8 19.750 -31.170 -9.892 479 HA ARG 8 HA ARG 8 21.669 -30.638 -11.006 480 HB2 ARG 8 HB2 ARG 8 19.745 -29.840 -13.222 481 HB3 ARG 8 HB3 ARG 8 21.458 -30.228 -13.409 482 HG2 ARG 8 HG2 ARG 8 21.034 -32.528 -12.529 483 HG3 ARG 8 HG3 ARG 8 19.299 -32.154 -12.450 484 HD2 ARG 8 HD2 ARG 8 19.268 -31.701 -14.875 485 HD3 ARG 8 HD3 ARG 8 20.987 -32.067 -14.993 486 HE ARG 8 HE ARG 8 18.745 -33.953 -14.665 487 HH11 ARG 8 HH11 ARG 8 22.242 -33.700 -14.534 488 HH12 ARG 8 HH12 ARG 8 22.461 -35.417 -14.707 489 HH21 ARG 8 HH21 ARG 8 19.096 -36.123 -14.883 490 HH22 ARG 8 HH22 ARG 8 20.713 -36.756 -14.901 491 H LYS 9 H LYS 9 20.845 -28.618 -9.244 492 HA LYS 9 HA LYS 9 21.246 -25.962 -10.270 493 HB2 LYS 9 HB2 LYS 9 20.177 -26.605 -8.060 494 HB3 LYS 9 HB3 LYS 9 21.790 -27.024 -7.468 495 HG2 LYS 9 HG2 LYS 9 22.456 -24.610 -8.037 496 HG3 LYS 9 HG3 LYS 9 20.753 -24.278 -8.303 497 HD2 LYS 9 HD2 LYS 9 20.218 -24.693 -6.010 498 HD3 LYS 9 HD3 LYS 9 21.764 -25.487 -5.682 499 HE2 LYS 9 HE2 LYS 9 21.562 -22.558 -6.503 500 HE3 LYS 9 HE3 LYS 9 21.473 -23.080 -4.820 501 HZ1 LYS 9 HZ1 LYS 9 23.754 -22.466 -5.474 502 HZ2 LYS 9 HZ2 LYS 9 23.690 -24.023 -5.011 503 HZ3 LYS 9 HZ3 LYS 9 23.810 -23.654 -6.597 504 H SER 10 H SER 10 23.051 -24.705 -10.494 505 HA SER 10 HA SER 10 25.716 -25.867 -10.618 506 HB2 SER 10 HB2 SER 10 26.393 -23.578 -11.219 507 HB3 SER 10 HB3 SER 10 25.037 -24.159 -12.198 508 HG SER 10 HG SER 10 24.717 -22.001 -11.446 509 H THR 11 H THR 11 27.584 -24.910 -9.468 510 HA THR 11 HA THR 11 27.388 -25.079 -6.649 511 HB THR 11 HB THR 11 29.593 -23.785 -8.299 512 HG1 THR 11 HG1 THR 11 29.235 -26.479 -7.438 513 HG21 THR 11 HG21 THR 11 29.912 -23.320 -5.920 514 HG22 THR 11 HG22 THR 11 29.634 -25.024 -5.512 515 HG23 THR 11 HG23 THR 11 31.070 -24.540 -6.450 516 HN1 NH2 12 H01 THR 11 26.585 -23.684 -5.242 517 HN2 NH2 12 H02 THR 11 26.588 -21.942 -5.407 Start of MODEL 12 1 H1 GLY -3 H1 GLY -3 12.274 -0.148 5.119 2 H2 GLY -3 H2 GLY -3 10.918 -0.069 6.033 3 H3 GLY -3 H3 GLY -3 12.056 -1.202 6.358 4 HA2 GLY -3 HA2 GLY -3 10.174 -2.230 5.246 5 HA3 GLY -3 HA3 GLY -3 10.387 -1.077 3.916 6 H HIS -2 H HIS -2 10.622 -4.156 4.219 7 HA HIS -2 HA HIS -2 13.388 -4.869 3.824 8 HB2 HIS -2 HB2 HIS -2 12.471 -7.095 3.438 9 HB3 HIS -2 HB3 HIS -2 11.708 -6.349 4.833 10 HD2 HIS -2 HD2 HIS -2 10.899 -7.967 1.540 11 HE1 HIS -2 HE1 HIS -2 7.224 -6.202 2.808 12 HE2 HIS -2 HE2 HIS -2 8.299 -7.796 1.133 13 H MET -1 H MET -1 10.937 -3.839 1.557 14 HA MET -1 HA MET -1 11.724 -5.244 -0.772 15 HB2 MET -1 HB2 MET -1 10.596 -3.302 -1.947 16 HB3 MET -1 HB3 MET -1 9.606 -4.251 -0.840 17 HG2 MET -1 HG2 MET -1 10.886 -1.576 -0.133 18 HG3 MET -1 HG3 MET -1 9.308 -1.724 -0.880 19 HE1 MET -1 HE1 MET -1 7.841 -4.141 0.606 20 HE2 MET -1 HE2 MET -1 7.043 -3.231 1.899 21 HE3 MET -1 HE3 MET -1 7.129 -2.548 0.258 22 H ASP 0 H ASP 646 13.073 -2.250 0.478 23 HA ASP 0 HA ASP 646 14.502 -0.699 -0.394 24 HB2 ASP 0 HB2 ASP 646 15.810 -3.243 -1.437 25 HB3 ASP 0 HB3 ASP 646 16.480 -1.644 -1.682 26 H ARG 1 H ARG 647 12.249 -1.495 -2.061 27 HA ARG 1 HA ARG 647 11.287 -1.323 -4.194 28 HB2 ARG 1 HB2 ARG 647 11.397 0.841 -5.106 29 HB3 ARG 1 HB3 ARG 647 11.606 0.918 -3.345 30 HG2 ARG 1 HG2 ARG 647 12.859 2.622 -4.430 31 HG3 ARG 1 HG3 ARG 647 13.792 1.560 -3.397 32 HD2 ARG 1 HD2 ARG 647 15.065 2.097 -5.424 33 HD3 ARG 1 HD3 ARG 647 14.664 0.386 -5.334 34 HE ARG 1 HE ARG 647 13.214 0.556 -7.146 35 HH11 ARG 1 HH11 ARG 647 14.357 3.796 -6.409 36 HH12 ARG 1 HH12 ARG 647 13.759 4.448 -7.909 37 HH21 ARG 1 HH21 ARG 647 12.486 1.455 -9.040 38 HH22 ARG 1 HH22 ARG 647 12.725 3.149 -9.360 39 H TYR 2 H TYR 648 13.925 -2.792 -3.970 40 HA TYR 2 HA TYR 648 14.925 -2.831 -6.703 41 HB2 TYR 2 HB2 TYR 648 15.703 -3.758 -4.040 42 HB3 TYR 2 HB3 TYR 648 15.862 -5.056 -5.212 43 HD1 TYR 2 HD1 TYR 648 16.961 -1.590 -4.398 44 HD2 TYR 2 HD2 TYR 648 17.590 -5.060 -6.884 45 HE1 TYR 2 HE1 TYR 648 19.113 -0.629 -5.181 46 HE2 TYR 2 HE2 TYR 648 19.748 -4.093 -7.678 47 HH TYR 2 HH TYR 648 20.972 -0.924 -6.516 48 H ASP 3 H ASP 649 15.021 -4.667 -8.056 49 HA ASP 3 HA ASP 649 12.729 -6.546 -7.913 50 HB2 ASP 3 HB2 ASP 649 14.845 -6.151 -10.050 51 HB3 ASP 3 HB3 ASP 649 13.472 -7.258 -10.135 52 H PHE 4 H PHE 650 12.999 -8.282 -6.666 53 HA PHE 4 HA PHE 650 15.573 -9.809 -6.646 54 HB2 PHE 4 HB2 PHE 650 13.485 -9.318 -4.470 55 HB3 PHE 4 HB3 PHE 650 14.764 -10.486 -4.359 56 HD1 PHE 4 HD1 PHE 650 13.854 -7.378 -3.204 57 HD2 PHE 4 HD2 PHE 650 17.244 -9.337 -5.025 58 HE1 PHE 4 HE1 PHE 650 15.383 -5.744 -2.128 59 HE2 PHE 4 HE2 PHE 650 18.762 -7.680 -3.971 60 HZ PHE 4 HZ PHE 650 17.840 -5.902 -2.495 61 H GLU 5 H GLU 651 15.454 -12.023 -6.292 62 HA GLU 5 HA GLU 651 13.422 -13.451 -7.800 63 HB2 GLU 5 HB2 GLU 651 15.502 -14.618 -5.884 64 HB3 GLU 5 HB3 GLU 651 14.853 -15.373 -7.327 65 HG2 GLU 5 HG2 GLU 651 16.765 -13.015 -7.393 66 HG3 GLU 5 HG3 GLU 651 17.223 -14.703 -7.461 67 H VAL 6 H VAL 652 11.477 -13.280 -6.982 68 HA VAL 6 HA VAL 652 10.862 -14.021 -4.125 69 HB VAL 6 HB VAL 652 9.891 -11.747 -5.877 70 HG11 VAL 6 HG11 VAL 652 8.440 -11.073 -3.940 71 HG12 VAL 6 HG12 VAL 652 7.904 -12.580 -4.681 72 HG13 VAL 6 HG13 VAL 652 8.813 -12.619 -3.143 73 HG21 VAL 6 HG21 VAL 652 10.681 -10.299 -4.077 74 HG22 VAL 6 HG22 VAL 652 11.180 -11.711 -3.113 75 HG23 VAL 6 HG23 VAL 652 11.993 -11.326 -4.642 76 H VAL 7 H VAL 653 9.901 -15.923 -4.153 77 HA VAL 7 HA VAL 653 8.265 -16.734 -6.416 78 HB VAL 7 HB VAL 653 8.598 -17.988 -3.651 79 HG11 VAL 7 HG11 VAL 653 6.382 -18.705 -4.600 80 HG12 VAL 7 HG12 VAL 653 7.186 -19.082 -6.118 81 HG13 VAL 7 HG13 VAL 653 7.587 -20.001 -4.632 82 HG21 VAL 7 HG21 VAL 653 9.869 -19.701 -4.861 83 HG22 VAL 7 HG22 VAL 653 9.519 -18.906 -6.403 84 HG23 VAL 7 HG23 VAL 653 10.571 -18.082 -5.235 85 H ARG 8 H ARG 654 6.545 -15.513 -6.783 86 HA ARG 8 HA ARG 654 4.387 -15.259 -4.725 87 HB2 ARG 8 HB2 ARG 654 5.834 -13.093 -6.167 88 HB3 ARG 8 HB3 ARG 654 4.083 -13.033 -6.385 89 HG2 ARG 8 HG2 ARG 654 3.788 -13.001 -3.939 90 HG3 ARG 8 HG3 ARG 654 5.513 -13.218 -3.711 91 HD2 ARG 8 HD2 ARG 654 5.964 -10.937 -4.435 92 HD3 ARG 8 HD3 ARG 654 4.650 -10.999 -5.584 93 HE ARG 8 HE ARG 654 3.300 -9.917 -4.038 94 HH11 ARG 8 HH11 ARG 654 5.790 -11.490 -2.097 95 HH12 ARG 8 HH12 ARG 654 5.157 -10.813 -0.623 96 HH21 ARG 8 HH21 ARG 654 2.585 -9.112 -2.139 97 HH22 ARG 8 HH22 ARG 654 3.402 -9.497 -0.654 98 H CYS 9 H CYS 655 3.473 -16.989 -5.484 99 HA CYS 9 HA CYS 655 2.285 -16.984 -8.248 100 HB2 CYS 9 HB2 CYS 655 3.322 -19.086 -7.371 101 HB3 CYS 9 HB3 CYS 655 2.195 -19.070 -6.065 102 H ILE 10 H ILE 656 -0.005 -17.146 -8.565 103 HA ILE 10 HA ILE 656 -1.796 -15.651 -7.017 104 HB ILE 10 HB ILE 656 -3.613 -17.040 -8.081 105 HG12 ILE 10 HG12 ILE 656 -3.020 -18.426 -10.037 106 HG13 ILE 10 HG13 ILE 656 -1.336 -18.494 -9.516 107 HG21 ILE 10 HG21 ILE 656 -3.027 -16.139 -10.354 108 HG22 ILE 10 HG22 ILE 656 -2.815 -15.004 -9.008 109 HG23 ILE 10 HG23 ILE 656 -1.397 -15.787 -9.711 110 HD11 ILE 10 HD11 ILE 656 -1.899 -20.000 -7.768 111 HD12 ILE 10 HD12 ILE 656 -3.620 -19.524 -7.784 112 HD13 ILE 10 HD13 ILE 656 -2.932 -20.491 -9.099 113 H CYS 11 H CYS 657 -0.452 -18.593 -6.297 114 HA CYS 11 HA CYS 657 -2.486 -19.839 -4.651 115 HB2 CYS 11 HB2 CYS 657 0.404 -20.195 -5.394 116 HB3 CYS 11 HB3 CYS 657 -0.178 -21.033 -3.884 117 H GLU 12 H GLU 658 -0.368 -17.122 -4.259 118 HA GLU 12 HA GLU 658 0.757 -16.075 -2.682 119 HB2 GLU 12 HB2 GLU 658 -1.949 -16.441 -1.361 120 HB3 GLU 12 HB3 GLU 658 -0.763 -15.212 -0.876 121 HG2 GLU 12 HG2 GLU 658 -2.153 -15.468 -3.574 122 HG3 GLU 12 HG3 GLU 658 -2.492 -14.258 -2.341 123 H VAL 13 H VAL 659 1.577 -18.376 -2.812 124 HA VAL 13 HA VAL 659 2.636 -19.014 -0.138 125 HB VAL 13 HB VAL 659 0.933 -20.700 -1.199 126 HG11 VAL 13 HG11 VAL 659 1.801 -22.414 -2.606 127 HG12 VAL 13 HG12 VAL 659 2.018 -20.853 -3.418 128 HG13 VAL 13 HG13 VAL 659 3.404 -21.657 -2.671 129 HG21 VAL 13 HG21 VAL 659 3.618 -21.605 -0.071 130 HG22 VAL 13 HG22 VAL 659 2.177 -21.139 0.851 131 HG23 VAL 13 HG23 VAL 659 2.143 -22.594 -0.159 132 H GLN 14 H GLN 660 4.785 -19.053 -0.074 133 HA GLN 14 HA GLN 660 6.373 -18.592 -2.512 134 HB2 GLN 14 HB2 GLN 660 7.101 -18.717 0.404 135 HB3 GLN 14 HB3 GLN 660 8.297 -18.565 -0.892 136 HG2 GLN 14 HG2 GLN 660 7.748 -16.434 0.219 137 HG3 GLN 14 HG3 GLN 660 7.468 -16.412 -1.508 138 HE21 GLN 14 HE21 GLN 660 5.303 -16.045 -2.264 139 HE22 GLN 14 HE22 GLN 660 3.986 -15.699 -1.131 140 H GLU 15 H GLU 661 5.069 -21.388 -1.571 141 HA GLU 15 HA GLU 661 7.178 -23.258 -1.287 142 HB2 GLU 15 HB2 GLU 661 4.859 -23.673 -0.570 143 HB3 GLU 15 HB3 GLU 661 4.344 -23.674 -2.256 144 HG2 GLU 15 HG2 GLU 661 4.467 -25.926 -1.381 145 HG3 GLU 15 HG3 GLU 661 5.600 -25.710 -2.703 146 H GLU 16 H GLU 662 7.727 -24.958 -2.848 147 HA GLU 16 HA GLU 662 7.817 -24.033 -5.580 148 HB2 GLU 16 HB2 GLU 662 9.893 -25.891 -4.958 149 HB3 GLU 16 HB3 GLU 662 9.806 -24.633 -6.159 150 HG2 GLU 16 HG2 GLU 662 10.506 -22.938 -4.780 151 HG3 GLU 16 HG3 GLU 662 10.117 -23.833 -3.321 152 H ASN 17 H ASN 663 6.727 -25.097 -6.468 153 HA ASN 17 HA ASN 663 5.747 -27.869 -6.344 154 HB2 ASN 17 HB2 ASN 663 5.410 -25.691 -8.433 155 HB3 ASN 17 HB3 ASN 663 4.980 -27.338 -8.797 156 HD21 ASN 17 HD21 ASN 663 1.795 -26.162 -7.895 157 HD22 ASN 17 HD22 ASN 663 2.846 -26.399 -9.245 158 H ASP 18 H ASP 664 5.968 -29.153 -8.551 159 HA ASP 18 HA ASP 664 8.665 -29.976 -9.058 160 HB2 ASP 18 HB2 ASP 664 6.624 -31.342 -9.438 161 HB3 ASP 18 HB3 ASP 664 6.202 -30.301 -10.806 162 H PHE 19 H PHE 665 6.883 -27.273 -10.410 163 HA PHE 19 HA PHE 665 9.177 -26.578 -12.079 164 HB2 PHE 19 HB2 PHE 665 7.649 -27.687 -13.708 165 HB3 PHE 19 HB3 PHE 665 6.316 -26.736 -13.098 166 HD1 PHE 19 HD1 PHE 665 5.661 -25.303 -14.786 167 HD2 PHE 19 HD2 PHE 665 9.879 -25.991 -14.126 168 HE1 PHE 19 HE1 PHE 665 6.223 -23.691 -16.579 169 HE2 PHE 19 HE2 PHE 665 10.442 -24.289 -15.802 170 HZ PHE 19 HZ PHE 665 8.581 -23.236 -17.118 171 H MET 20 H MET 666 9.705 -24.386 -12.132 172 HA MET 20 HA MET 666 7.640 -22.456 -11.460 173 HB2 MET 20 HB2 MET 666 10.380 -22.099 -10.250 174 HB3 MET 20 HB3 MET 666 9.020 -21.116 -9.919 175 HG2 MET 20 HG2 MET 666 8.004 -23.415 -9.103 176 HG3 MET 20 HG3 MET 666 9.675 -23.963 -9.110 177 HE1 MET 20 HE1 MET 666 7.876 -20.471 -7.693 178 HE2 MET 20 HE2 MET 666 6.988 -22.002 -7.715 179 HE3 MET 20 HE3 MET 666 7.563 -21.377 -6.173 180 H ILE 21 H ILE 667 7.996 -20.304 -12.244 181 HA ILE 21 HA ILE 667 10.130 -19.938 -14.283 182 HB ILE 21 HB ILE 667 7.344 -18.847 -14.632 183 HG12 ILE 21 HG12 ILE 667 8.191 -21.174 -16.350 184 HG13 ILE 21 HG13 ILE 667 7.611 -21.550 -14.727 185 HG21 ILE 21 HG21 ILE 667 9.087 -17.851 -16.229 186 HG22 ILE 21 HG22 ILE 667 9.231 -19.417 -17.039 187 HG23 ILE 21 HG23 ILE 667 7.713 -18.578 -17.062 188 HD11 ILE 21 HD11 ILE 667 6.150 -20.021 -16.817 189 HD12 ILE 21 HD12 ILE 667 5.790 -21.595 -16.124 190 HD13 ILE 21 HD13 ILE 667 5.634 -20.137 -15.100 191 H GLN 22 H GLN 668 10.559 -17.587 -14.774 192 HA GLN 22 HA GLN 668 9.891 -15.902 -12.363 193 HB2 GLN 22 HB2 GLN 668 12.282 -16.299 -12.360 194 HB3 GLN 22 HB3 GLN 668 12.355 -16.042 -14.124 195 HG2 GLN 22 HG2 GLN 668 12.040 -13.641 -13.925 196 HG3 GLN 22 HG3 GLN 668 11.447 -13.869 -12.295 197 HE21 GLN 22 HE21 GLN 668 13.074 -13.586 -10.572 198 HE22 GLN 22 HE22 GLN 668 14.783 -13.635 -10.953 199 H CYS 23 H CYS 669 8.905 -13.986 -12.615 200 HA CYS 23 HA CYS 669 7.799 -13.149 -15.168 201 HB2 CYS 23 HB2 CYS 669 6.819 -12.675 -12.922 202 HB3 CYS 23 HB3 CYS 669 8.230 -11.717 -12.503 203 H GLU 24 H GLU 670 8.656 -11.908 -16.684 204 HA GLU 24 HA GLU 670 11.464 -11.092 -16.470 205 HB2 GLU 24 HB2 GLU 670 11.177 -10.356 -18.705 206 HB3 GLU 24 HB3 GLU 670 10.432 -11.932 -18.571 207 HG2 GLU 24 HG2 GLU 670 8.538 -10.940 -19.509 208 HG3 GLU 24 HG3 GLU 670 8.308 -10.290 -17.937 209 H GLU 25 H GLU 671 8.516 -9.531 -15.571 210 HA GLU 25 HA GLU 671 9.558 -6.803 -15.964 211 HB2 GLU 25 HB2 GLU 671 7.262 -7.479 -16.453 212 HB3 GLU 25 HB3 GLU 671 6.981 -7.786 -14.795 213 HG2 GLU 25 HG2 GLU 671 6.050 -5.618 -15.656 214 HG3 GLU 25 HG3 GLU 671 6.970 -5.538 -14.175 215 H CYS 26 H CYS 672 8.308 -8.600 -13.142 216 HA CYS 26 HA CYS 672 9.900 -6.850 -11.418 217 HB2 CYS 26 HB2 CYS 672 8.427 -7.348 -9.732 218 HB3 CYS 26 HB3 CYS 672 7.469 -6.803 -11.121 219 H GLN 27 H GLN 673 10.350 -9.873 -12.605 220 HA GLN 27 HA GLN 673 11.738 -11.466 -12.159 221 HB2 GLN 27 HB2 GLN 673 12.669 -9.427 -10.299 222 HB3 GLN 27 HB3 GLN 673 12.931 -10.931 -9.635 223 HG2 GLN 27 HG2 GLN 673 14.833 -11.172 -10.738 224 HG3 GLN 27 HG3 GLN 673 14.020 -11.251 -12.268 225 HE21 GLN 27 HE21 GLN 673 13.326 -9.099 -13.321 226 HE22 GLN 27 HE22 GLN 673 14.515 -7.825 -13.211 227 H CYS 28 H CYS 674 9.054 -11.140 -10.305 228 HA CYS 28 HA CYS 674 9.664 -13.041 -8.288 229 HB2 CYS 28 HB2 CYS 674 7.201 -13.097 -7.972 230 HB3 CYS 28 HB3 CYS 674 7.920 -11.419 -8.067 231 HG CYS 28 HG CYS 674 5.586 -11.371 -9.236 232 H TRP 29 H TRP 675 8.947 -15.172 -7.970 233 HA TRP 29 HA TRP 675 8.862 -16.726 -10.444 234 HB2 TRP 29 HB2 TRP 675 9.880 -17.162 -7.668 235 HB3 TRP 29 HB3 TRP 675 9.640 -18.548 -8.753 236 HD1 TRP 29 HD1 TRP 675 11.755 -15.445 -8.258 237 HE1 TRP 29 HE1 TRP 675 14.027 -15.714 -9.589 238 HE3 TRP 29 HE3 TRP 675 10.639 -19.648 -10.868 239 HZ2 TRP 29 HZ2 TRP 675 15.104 -17.595 -11.379 240 HZ3 TRP 29 HZ3 TRP 675 12.308 -20.630 -12.456 241 HH2 TRP 29 HH2 TRP 675 14.551 -19.615 -12.698 242 H GLN 30 H GLN 676 7.401 -18.432 -10.882 243 HA GLN 30 HA GLN 676 5.263 -18.814 -8.830 244 HB2 GLN 30 HB2 GLN 676 4.787 -18.238 -11.792 245 HB3 GLN 30 HB3 GLN 676 3.541 -18.645 -10.610 246 HG2 GLN 30 HG2 GLN 676 3.335 -16.360 -10.765 247 HG3 GLN 30 HG3 GLN 676 4.240 -16.722 -9.285 248 HE21 GLN 30 HE21 GLN 676 5.266 -14.700 -9.204 249 HE22 GLN 30 HE22 GLN 676 6.480 -14.248 -10.421 250 H HIS 31 H HIS 677 3.893 -20.652 -9.290 251 HA HIS 31 HA HIS 677 5.389 -22.881 -10.469 252 HB2 HIS 31 HB2 HIS 677 2.406 -22.856 -9.868 253 HB3 HIS 31 HB3 HIS 677 3.509 -24.208 -9.929 254 HD2 HIS 31 HD2 HIS 677 5.654 -23.548 -8.012 255 HE1 HIS 31 HE1 HIS 677 2.861 -22.384 -4.991 256 HE2 HIS 31 HE2 HIS 677 5.241 -23.046 -5.407 257 H GLY 32 H GLY 678 5.544 -22.950 -12.677 258 HA2 GLY 32 HA2 GLY 678 4.047 -21.341 -14.341 259 HA3 GLY 32 HA3 GLY 678 4.766 -22.913 -14.884 260 H VAL 33 H VAL 679 3.090 -24.534 -13.249 261 HA VAL 33 HA VAL 679 0.981 -24.894 -15.152 262 HB VAL 33 HB VAL 679 2.129 -26.633 -13.974 263 HG11 VAL 33 HG11 VAL 679 0.405 -25.926 -11.541 264 HG12 VAL 33 HG12 VAL 679 1.496 -27.319 -11.695 265 HG13 VAL 33 HG13 VAL 679 2.160 -25.675 -11.663 266 HG21 VAL 33 HG21 VAL 679 -0.884 -26.800 -13.519 267 HG22 VAL 33 HG22 VAL 679 -0.051 -27.086 -15.065 268 HG23 VAL 33 HG23 VAL 679 0.251 -28.153 -13.682 269 H CYS 34 H CYS 680 1.161 -22.913 -12.333 270 HA CYS 34 HA CYS 680 -1.722 -22.562 -11.778 271 HB2 CYS 34 HB2 CYS 680 0.773 -21.165 -10.785 272 HB3 CYS 34 HB3 CYS 680 -0.841 -20.805 -10.321 273 H MET 35 H MET 681 0.879 -21.134 -13.639 274 HA MET 35 HA MET 681 -0.524 -18.613 -14.328 275 HB2 MET 35 HB2 MET 681 2.289 -19.644 -14.847 276 HB3 MET 35 HB3 MET 681 1.698 -18.048 -15.207 277 HG2 MET 35 HG2 MET 681 1.683 -19.016 -12.356 278 HG3 MET 35 HG3 MET 681 3.083 -18.269 -13.120 279 HE1 MET 35 HE1 MET 681 -0.678 -16.048 -11.786 280 HE2 MET 35 HE2 MET 681 -0.782 -17.684 -12.456 281 HE3 MET 35 HE3 MET 681 0.107 -17.403 -10.935 282 H GLY 36 H GLY 682 -0.255 -21.768 -15.647 283 HA2 GLY 36 HA2 GLY 682 -1.124 -22.645 -17.589 284 HA3 GLY 36 HA3 GLY 682 -1.365 -21.021 -18.252 285 H LEU 37 H LEU 683 1.702 -22.135 -16.933 286 HA LEU 37 HA LEU 683 2.748 -22.555 -19.670 287 HB2 LEU 37 HB2 LEU 683 4.486 -21.274 -17.657 288 HB3 LEU 37 HB3 LEU 683 4.661 -21.121 -19.357 289 HG LEU 37 HG LEU 683 2.205 -19.713 -18.434 290 HD11 LEU 37 HD11 LEU 683 4.769 -18.460 -17.442 291 HD12 LEU 37 HD12 LEU 683 3.082 -18.017 -17.154 292 HD13 LEU 37 HD13 LEU 683 3.745 -19.458 -16.377 293 HD21 LEU 37 HD21 LEU 683 3.244 -17.918 -19.631 294 HD22 LEU 37 HD22 LEU 683 4.816 -18.790 -19.649 295 HD23 LEU 37 HD23 LEU 683 3.403 -19.424 -20.575 296 H LEU 38 H LEU 684 4.749 -23.825 -19.688 297 HA LEU 38 HA LEU 684 5.304 -25.680 -17.515 298 HB2 LEU 38 HB2 LEU 684 3.963 -26.175 -20.185 299 HB3 LEU 38 HB3 LEU 684 5.365 -27.148 -19.861 300 HG LEU 38 HG LEU 684 3.066 -28.068 -19.275 301 HD11 LEU 38 HD11 LEU 684 5.356 -28.074 -17.266 302 HD12 LEU 38 HD12 LEU 684 4.135 -29.361 -17.456 303 HD13 LEU 38 HD13 LEU 684 5.294 -29.010 -18.765 304 HD21 LEU 38 HD21 LEU 684 3.394 -26.533 -16.691 305 HD22 LEU 38 HD22 LEU 684 2.219 -26.154 -17.974 306 HD23 LEU 38 HD23 LEU 684 2.141 -27.711 -17.121 307 H GLU 39 H GLU 685 7.417 -26.795 -18.062 308 HA GLU 39 HA GLU 685 9.379 -25.019 -19.092 309 HB2 GLU 39 HB2 GLU 685 10.796 -27.057 -19.216 310 HB3 GLU 39 HB3 GLU 685 10.138 -26.764 -17.617 311 HG2 GLU 39 HG2 GLU 685 10.067 -29.074 -17.923 312 HG3 GLU 39 HG3 GLU 685 8.418 -28.473 -17.903 313 H GLU 40 H GLU 686 7.273 -27.231 -20.823 314 HA GLU 40 HA GLU 686 8.693 -27.060 -23.337 315 HB2 GLU 40 HB2 GLU 686 6.509 -27.548 -24.427 316 HB3 GLU 40 HB3 GLU 686 7.127 -28.785 -23.324 317 HG2 GLU 40 HG2 GLU 686 5.489 -28.346 -21.729 318 HG3 GLU 40 HG3 GLU 686 5.071 -26.746 -22.407 319 H ASN 41 H ASN 687 6.262 -24.921 -21.869 320 HA ASN 41 HA ASN 687 6.123 -23.335 -24.390 321 HB2 ASN 41 HB2 ASN 687 4.466 -23.165 -21.885 322 HB3 ASN 41 HB3 ASN 687 4.146 -22.322 -23.330 323 HD21 ASN 41 HD21 ASN 687 1.780 -25.095 -23.154 324 HD22 ASN 41 HD22 ASN 687 2.158 -23.774 -22.102 325 H VAL 42 H VAL 688 8.143 -23.056 -21.779 326 HA VAL 42 HA VAL 688 7.771 -20.543 -20.665 327 HB VAL 42 HB VAL 688 10.443 -21.800 -21.265 328 HG11 VAL 42 HG11 VAL 688 11.321 -20.382 -19.494 329 HG12 VAL 42 HG12 VAL 688 10.728 -19.392 -20.798 330 HG13 VAL 42 HG13 VAL 688 9.730 -19.565 -19.338 331 HG21 VAL 42 HG21 VAL 688 8.910 -23.158 -19.983 332 HG22 VAL 42 HG22 VAL 688 10.370 -22.710 -19.165 333 HG23 VAL 42 HG23 VAL 688 8.815 -21.857 -18.771 334 HA PRO 43 HA PRO 689 8.608 -17.947 -24.289 335 HB2 PRO 43 HB2 PRO 689 7.347 -15.699 -23.382 336 HB3 PRO 43 HB3 PRO 689 6.405 -17.095 -23.951 337 HG2 PRO 43 HG2 PRO 689 7.120 -16.320 -21.141 338 HG3 PRO 43 HG3 PRO 689 5.515 -16.794 -21.762 339 HD2 PRO 43 HD2 PRO 689 7.213 -18.558 -20.478 340 HD3 PRO 43 HD3 PRO 689 6.135 -19.089 -21.737 341 H GLU 44 H GLU 690 9.733 -15.932 -24.574 342 HA GLU 44 HA GLU 690 12.117 -15.714 -22.927 343 HB2 GLU 44 HB2 GLU 690 11.001 -13.930 -25.147 344 HB3 GLU 44 HB3 GLU 690 12.599 -13.783 -24.424 345 HG2 GLU 44 HG2 GLU 690 12.945 -14.882 -26.466 346 HG3 GLU 44 HG3 GLU 690 13.150 -16.097 -25.220 347 H LYS 45 H LYS 691 9.066 -13.948 -23.328 348 HA LYS 45 HA LYS 691 9.544 -12.515 -20.785 349 HB2 LYS 45 HB2 LYS 691 8.382 -11.431 -23.375 350 HB3 LYS 45 HB3 LYS 691 8.165 -10.717 -21.819 351 HG2 LYS 45 HG2 LYS 691 10.650 -10.460 -21.564 352 HG3 LYS 45 HG3 LYS 691 10.867 -11.035 -23.226 353 HD2 LYS 45 HD2 LYS 691 9.459 -9.200 -24.082 354 HD3 LYS 45 HD3 LYS 691 9.184 -8.607 -22.448 355 HE2 LYS 45 HE2 LYS 691 11.832 -8.625 -23.975 356 HE3 LYS 45 HE3 LYS 691 10.823 -7.233 -23.591 357 HZ1 LYS 45 HZ1 LYS 691 11.200 -7.919 -21.146 358 HZ2 LYS 45 HZ2 LYS 691 12.435 -8.842 -21.695 359 HZ3 LYS 45 HZ3 LYS 691 12.475 -7.231 -21.936 360 H TYR 46 H TYR 692 8.447 -14.274 -19.874 361 HA TYR 46 HA TYR 692 5.483 -14.094 -20.115 362 HB2 TYR 46 HB2 TYR 692 5.822 -16.257 -19.389 363 HB3 TYR 46 HB3 TYR 692 7.367 -15.934 -18.673 364 HD1 TYR 46 HD1 TYR 692 3.689 -15.645 -18.110 365 HD2 TYR 46 HD2 TYR 692 7.656 -15.546 -16.435 366 HE1 TYR 46 HE1 TYR 692 2.726 -15.448 -15.780 367 HE2 TYR 46 HE2 TYR 692 6.702 -15.481 -14.145 368 HH TYR 46 HH TYR 692 4.826 -15.616 -12.961 369 H THR 47 H THR 693 4.287 -12.715 -19.181 370 HA THR 47 HA THR 693 5.214 -10.971 -16.962 371 HB THR 47 HB THR 693 2.849 -10.018 -17.495 372 HG1 THR 47 HG1 THR 693 2.173 -11.386 -19.110 373 HG21 THR 47 HG21 THR 693 3.838 -8.405 -19.032 374 HG22 THR 47 HG22 THR 693 4.933 -8.758 -17.684 375 HG23 THR 47 HG23 THR 693 5.237 -9.481 -19.282 376 H CYS 48 H CYS 694 4.462 -11.211 -14.941 377 HA CYS 48 HA CYS 694 2.615 -13.391 -14.340 378 HB2 CYS 48 HB2 CYS 694 3.486 -13.211 -12.170 379 HB3 CYS 48 HB3 CYS 694 4.841 -12.684 -13.050 380 H TYR 49 H TYR 695 0.600 -13.248 -13.323 381 HA TYR 49 HA TYR 695 -1.183 -11.280 -13.655 382 HB2 TYR 49 HB2 TYR 695 -2.373 -12.229 -11.957 383 HB3 TYR 49 HB3 TYR 695 -1.429 -13.555 -12.610 384 HD1 TYR 49 HD1 TYR 695 1.004 -13.886 -11.369 385 HD2 TYR 49 HD2 TYR 695 -2.518 -12.095 -9.603 386 HE1 TYR 49 HE1 TYR 695 1.894 -14.328 -9.126 387 HE2 TYR 49 HE2 TYR 695 -1.584 -12.520 -7.331 388 HH TYR 49 HH TYR 695 0.118 -13.552 -6.113 389 H VAL 50 H VAL 696 1.138 -11.053 -10.901 390 HA VAL 50 HA VAL 696 0.047 -8.698 -9.764 391 HB VAL 50 HB VAL 696 2.568 -10.243 -9.521 392 HG11 VAL 50 HG11 VAL 696 2.533 -7.361 -8.609 393 HG12 VAL 50 HG12 VAL 696 3.712 -8.605 -8.134 394 HG13 VAL 50 HG13 VAL 696 3.616 -8.100 -9.825 395 HG21 VAL 50 HG21 VAL 696 2.080 -10.182 -7.197 396 HG22 VAL 50 HG22 VAL 696 0.833 -8.931 -7.426 397 HG23 VAL 50 HG23 VAL 696 0.602 -10.568 -8.078 398 H CYS 51 H CYS 697 2.100 -9.094 -12.607 399 HA CYS 51 HA CYS 697 2.203 -6.197 -13.088 400 HB2 CYS 51 HB2 CYS 697 3.519 -8.468 -14.560 401 HB3 CYS 51 HB3 CYS 697 3.698 -6.762 -14.917 402 H GLN 52 H GLN 698 1.293 -9.211 -15.080 403 HA GLN 52 HA GLN 698 -0.189 -7.399 -16.853 404 HB2 GLN 52 HB2 GLN 698 -0.817 -9.516 -17.938 405 HB3 GLN 52 HB3 GLN 698 0.912 -9.267 -17.933 406 HG2 GLN 52 HG2 GLN 698 1.195 -11.114 -16.575 407 HG3 GLN 52 HG3 GLN 698 -0.329 -11.053 -15.810 408 HE21 GLN 52 HE21 GLN 698 -2.054 -12.493 -16.747 409 HE22 GLN 52 HE22 GLN 698 -1.710 -13.362 -18.232 410 H ASP 53 H ASP 699 -1.176 -9.623 -14.330 411 HA ASP 53 HA ASP 699 -3.139 -10.325 -13.473 412 HB2 ASP 53 HB2 ASP 699 -3.820 -7.986 -13.106 413 HB3 ASP 53 HB3 ASP 699 -4.364 -7.901 -14.764 414 H1 ALA 1 H1 ALA 1 13.397 -15.325 -19.285 415 H2 ALA 1 H2 ALA 1 11.983 -15.084 -20.029 416 H3 ALA 1 H3 ALA 1 12.569 -16.609 -19.903 417 HA ALA 1 HA ALA 1 11.644 -14.902 -17.636 418 HB1 ALA 1 HB1 ALA 1 10.205 -17.319 -18.831 419 HB2 ALA 1 HB2 ALA 1 9.648 -16.264 -17.538 420 HB3 ALA 1 HB3 ALA 1 9.799 -15.617 -19.148 421 H ARG 2 H ARG 2 14.292 -16.220 -17.618 422 HA ARG 2 HA ARG 2 15.687 -17.640 -16.716 423 HB2 ARG 2 HB2 ARG 2 14.755 -15.995 -14.904 424 HB3 ARG 2 HB3 ARG 2 14.229 -17.489 -14.112 425 HG2 ARG 2 HG2 ARG 2 16.378 -18.297 -13.810 426 HG3 ARG 2 HG3 ARG 2 17.093 -17.231 -15.022 427 HD2 ARG 2 HD2 ARG 2 15.815 -16.100 -12.499 428 HD3 ARG 2 HD3 ARG 2 17.481 -16.668 -12.496 429 HE ARG 2 HE ARG 2 16.332 -14.286 -13.754 430 HH11 ARG 2 HH11 ARG 2 19.223 -16.298 -13.741 431 HH12 ARG 2 HH12 ARG 2 20.214 -15.047 -14.431 432 HH21 ARG 2 HH21 ARG 2 17.663 -12.737 -14.630 433 HH22 ARG 2 HH22 ARG 2 19.344 -13.073 -14.919 434 H THR 3 H THR 3 12.801 -18.972 -15.162 435 HA THR 3 HA THR 3 12.245 -21.012 -14.428 436 HB THR 3 HB THR 3 12.506 -22.976 -16.013 437 HG1 THR 3 HG1 THR 3 14.128 -22.003 -17.394 438 HG21 THR 3 HG21 THR 3 10.619 -22.053 -17.252 439 HG22 THR 3 HG22 THR 3 10.489 -21.627 -15.592 440 HG23 THR 3 HG23 THR 3 11.071 -20.403 -16.749 441 H MLY 4 H MLY 4 12.595 -22.987 -13.400 442 HA MLY 4 HA MLY 4 15.406 -23.677 -12.948 443 HB2 MLY 4 HB2 MLY 4 15.358 -23.064 -10.565 444 HB3 MLY 4 HB3 MLY 4 14.809 -21.659 -11.471 445 HG2 MLY 4 HG2 MLY 4 12.424 -22.501 -11.052 446 HG3 MLY 4 HG3 MLY 4 13.081 -23.651 -9.905 447 HD2 MLY 4 HD2 MLY 4 13.629 -20.666 -9.686 448 HD3 MLY 4 HD3 MLY 4 12.169 -21.406 -9.025 449 HE2 MLY 4 HE2 MLY 4 13.663 -22.952 -7.660 450 HE3 MLY 4 HE3 MLY 4 15.050 -22.060 -8.249 451 HH11 MLY 4 HH11 MLY 4 14.307 -18.972 -6.337 452 HH12 MLY 4 HH12 MLY 4 15.273 -19.623 -7.669 453 HH13 MLY 4 HH13 MLY 4 13.588 -19.140 -7.941 454 HH21 MLY 4 HH21 MLY 4 11.743 -20.459 -7.027 455 HH22 MLY 4 HH22 MLY 4 12.067 -21.961 -6.153 456 HH23 MLY 4 HH23 MLY 4 12.397 -20.413 -5.384 457 HZ MLY 4 HZ MLY 4 14.436 -21.310 -6.104 458 H GLN 5 H GLN 5 12.171 -24.813 -12.789 459 HA GLN 5 HA GLN 5 11.197 -26.684 -11.966 460 HB2 GLN 5 HB2 GLN 5 13.946 -27.907 -12.074 461 HB3 GLN 5 HB3 GLN 5 12.476 -28.772 -11.616 462 HG2 GLN 5 HG2 GLN 5 11.436 -28.246 -13.772 463 HG3 GLN 5 HG3 GLN 5 12.849 -27.307 -14.268 464 HE21 GLN 5 HE21 GLN 5 12.304 -29.102 -16.084 465 HE22 GLN 5 HE22 GLN 5 13.301 -30.543 -15.929 466 H THR 6 H THR 6 14.071 -27.204 -9.914 467 HA THR 6 HA THR 6 12.748 -25.935 -7.597 468 HB THR 6 HB THR 6 13.214 -27.811 -6.102 469 HG1 THR 6 HG1 THR 6 14.580 -29.192 -6.860 470 HG21 THR 6 HG21 THR 6 11.467 -28.765 -8.393 471 HG22 THR 6 HG22 THR 6 11.400 -29.271 -6.688 472 HG23 THR 6 HG23 THR 6 10.965 -27.614 -7.137 473 H ALA 7 H ALA 7 14.136 -25.123 -6.063 474 HA ALA 7 HA ALA 7 17.030 -25.042 -6.656 475 HB1 ALA 7 HB1 ALA 7 15.929 -23.033 -5.831 476 HB2 ALA 7 HB2 ALA 7 15.352 -23.888 -4.379 477 HB3 ALA 7 HB3 ALA 7 17.089 -23.610 -4.628 478 H ARG 8 H ARG 8 14.865 -26.470 -4.202 479 HA ARG 8 HA ARG 8 16.923 -27.989 -2.788 480 HB2 ARG 8 HB2 ARG 8 13.881 -28.119 -2.926 481 HB3 ARG 8 HB3 ARG 8 14.822 -29.303 -2.012 482 HG2 ARG 8 HG2 ARG 8 15.752 -27.623 -0.562 483 HG3 ARG 8 HG3 ARG 8 15.069 -26.303 -1.519 484 HD2 ARG 8 HD2 ARG 8 13.361 -28.419 -0.134 485 HD3 ARG 8 HD3 ARG 8 13.837 -26.892 0.634 486 HE ARG 8 HE ARG 8 12.763 -26.077 -1.790 487 HH11 ARG 8 HH11 ARG 8 11.311 -27.906 0.874 488 HH12 ARG 8 HH12 ARG 8 9.727 -27.298 0.451 489 HH21 ARG 8 HH21 ARG 8 10.902 -25.430 -2.187 490 HH22 ARG 8 HH22 ARG 8 9.453 -25.910 -1.264 491 H LYS 9 H LYS 9 17.365 -30.191 -2.911 492 HA LYS 9 HA LYS 9 17.282 -31.397 -5.583 493 HB2 LYS 9 HB2 LYS 9 18.323 -32.442 -2.909 494 HB3 LYS 9 HB3 LYS 9 18.491 -33.286 -4.450 495 HG2 LYS 9 HG2 LYS 9 19.749 -31.364 -5.388 496 HG3 LYS 9 HG3 LYS 9 19.651 -30.537 -3.824 497 HD2 LYS 9 HD2 LYS 9 20.886 -32.393 -2.750 498 HD3 LYS 9 HD3 LYS 9 20.980 -33.241 -4.313 499 HE2 LYS 9 HE2 LYS 9 22.226 -31.307 -5.269 500 HE3 LYS 9 HE3 LYS 9 22.139 -30.478 -3.709 501 HZ1 LYS 9 HZ1 LYS 9 23.459 -32.299 -2.746 502 HZ2 LYS 9 HZ2 LYS 9 23.528 -33.070 -4.191 503 HZ3 LYS 9 HZ3 LYS 9 24.269 -31.629 -3.994 504 H SER 10 H SER 10 16.451 -33.481 -6.079 505 HA SER 10 HA SER 10 13.759 -34.006 -5.148 506 HB2 SER 10 HB2 SER 10 14.524 -34.472 -7.447 507 HB3 SER 10 HB3 SER 10 15.607 -35.736 -6.831 508 HG SER 10 HG SER 10 13.562 -36.551 -7.579 509 H THR 11 H THR 11 12.964 -35.762 -3.968 510 HA THR 11 HA THR 11 14.698 -37.609 -2.529 511 HB THR 11 HB THR 11 14.976 -35.584 -1.184 512 HG1 THR 11 HG1 THR 11 15.009 -37.571 -0.146 513 HG21 THR 11 HG21 THR 11 13.193 -34.632 0.152 514 HG22 THR 11 HG22 THR 11 12.782 -34.469 -1.559 515 HG23 THR 11 HG23 THR 11 11.993 -35.721 -0.572 516 HN1 NH2 12 H01 THR 11 11.414 -36.334 -2.922 517 HN2 NH2 12 H02 THR 11 10.656 -37.898 -2.718 Start of MODEL 13 1 H1 GLY -3 H1 GLY -3 19.717 -0.079 1.751 2 H2 GLY -3 H2 GLY -3 20.294 1.226 2.563 3 H3 GLY -3 H3 GLY -3 20.767 -0.283 2.997 4 HA2 GLY -3 HA2 GLY -3 19.153 0.572 4.577 5 HA3 GLY -3 HA3 GLY -3 18.025 0.794 3.226 6 H HIS -2 H HIS -2 16.525 -0.601 4.375 7 HA HIS -2 HA HIS -2 17.232 -3.448 4.730 8 HB2 HIS -2 HB2 HIS -2 15.891 -2.300 6.412 9 HB3 HIS -2 HB3 HIS -2 14.648 -1.926 5.220 10 HD2 HIS -2 HD2 HIS -2 15.848 -4.673 7.544 11 HE1 HIS -2 HE1 HIS -2 12.591 -6.371 5.376 12 HE2 HIS -2 HE2 HIS -2 14.181 -6.708 7.334 13 H MET -1 H MET -1 14.578 -1.823 2.927 14 HA MET -1 HA MET -1 14.058 -4.177 1.319 15 HB2 MET -1 HB2 MET -1 12.480 -2.647 0.154 16 HB3 MET -1 HB3 MET -1 12.197 -2.813 1.892 17 HG2 MET -1 HG2 MET -1 13.579 -0.438 0.549 18 HG3 MET -1 HG3 MET -1 11.860 -0.539 0.879 19 HE1 MET -1 HE1 MET -1 11.867 1.785 2.070 20 HE2 MET -1 HE2 MET -1 12.989 2.223 3.375 21 HE3 MET -1 HE3 MET -1 13.612 1.925 1.735 22 H ASP 0 H ASP 646 15.776 -1.201 0.714 23 HA ASP 0 HA ASP 646 16.732 -0.222 -1.057 24 HB2 ASP 0 HB2 ASP 646 17.592 -3.088 -1.574 25 HB3 ASP 0 HB3 ASP 646 18.138 -1.725 -2.538 26 H ARG 1 H ARG 647 14.067 -1.450 -1.599 27 HA ARG 1 HA ARG 647 12.444 -1.505 -3.302 28 HB2 ARG 1 HB2 ARG 647 12.228 0.610 -4.355 29 HB3 ARG 1 HB3 ARG 647 12.990 0.792 -2.761 30 HG2 ARG 1 HG2 ARG 647 13.807 2.418 -4.302 31 HG3 ARG 1 HG3 ARG 647 15.045 1.427 -3.553 32 HD2 ARG 1 HD2 ARG 647 15.595 1.811 -5.904 33 HD3 ARG 1 HD3 ARG 647 15.258 0.116 -5.581 34 HE ARG 1 HE ARG 647 13.303 0.190 -6.839 35 HH11 ARG 1 HH11 ARG 647 14.597 3.455 -6.724 36 HH12 ARG 1 HH12 ARG 647 13.543 4.014 -7.994 37 HH21 ARG 1 HH21 ARG 647 11.998 0.971 -8.451 38 HH22 ARG 1 HH22 ARG 647 12.105 2.633 -8.949 39 H TYR 2 H TYR 648 15.033 -2.947 -3.935 40 HA TYR 2 HA TYR 648 15.243 -2.952 -6.779 41 HB2 TYR 2 HB2 TYR 648 16.673 -3.909 -4.468 42 HB3 TYR 2 HB3 TYR 648 16.432 -5.281 -5.541 43 HD1 TYR 2 HD1 TYR 648 17.882 -1.871 -5.289 44 HD2 TYR 2 HD2 TYR 648 17.617 -5.478 -7.642 45 HE1 TYR 2 HE1 TYR 648 19.765 -1.081 -6.701 46 HE2 TYR 2 HE2 TYR 648 19.503 -4.686 -9.055 47 HH TYR 2 HH TYR 648 21.048 -3.021 -9.443 48 H ASP 3 H ASP 649 15.123 -4.757 -8.195 49 HA ASP 3 HA ASP 649 12.851 -6.590 -7.809 50 HB2 ASP 3 HB2 ASP 649 14.807 -6.288 -10.113 51 HB3 ASP 3 HB3 ASP 649 13.388 -7.330 -10.088 52 H PHE 4 H PHE 650 13.154 -8.315 -6.571 53 HA PHE 4 HA PHE 650 15.667 -9.939 -6.702 54 HB2 PHE 4 HB2 PHE 650 13.683 -9.425 -4.436 55 HB3 PHE 4 HB3 PHE 650 14.945 -10.616 -4.389 56 HD1 PHE 4 HD1 PHE 650 17.427 -9.694 -4.915 57 HD2 PHE 4 HD2 PHE 650 14.134 -7.316 -3.459 58 HE1 PHE 4 HE1 PHE 650 19.031 -8.076 -3.927 59 HE2 PHE 4 HE2 PHE 650 15.744 -5.717 -2.449 60 HZ PHE 4 HZ PHE 650 18.195 -6.102 -2.675 61 H GLU 5 H GLU 651 15.495 -12.149 -6.309 62 HA GLU 5 HA GLU 651 13.432 -13.549 -7.790 63 HB2 GLU 5 HB2 GLU 651 15.484 -14.734 -5.859 64 HB3 GLU 5 HB3 GLU 651 14.831 -15.489 -7.302 65 HG2 GLU 5 HG2 GLU 651 16.791 -13.168 -7.360 66 HG3 GLU 5 HG3 GLU 651 17.203 -14.871 -7.458 67 H VAL 6 H VAL 652 11.489 -13.339 -6.981 68 HA VAL 6 HA VAL 652 10.858 -14.037 -4.115 69 HB VAL 6 HB VAL 652 9.938 -11.767 -5.893 70 HG11 VAL 6 HG11 VAL 652 8.799 -12.599 -3.175 71 HG12 VAL 6 HG12 VAL 652 8.471 -11.054 -3.985 72 HG13 VAL 6 HG13 VAL 652 7.919 -12.552 -4.728 73 HG21 VAL 6 HG21 VAL 652 11.191 -11.722 -3.115 74 HG22 VAL 6 HG22 VAL 652 12.031 -11.360 -4.634 75 HG23 VAL 6 HG23 VAL 652 10.721 -10.311 -4.103 76 H VAL 7 H VAL 653 9.864 -15.916 -4.110 77 HA VAL 7 HA VAL 653 8.236 -16.738 -6.379 78 HB VAL 7 HB VAL 653 8.477 -17.974 -3.595 79 HG11 VAL 7 HG11 VAL 653 7.473 -19.981 -4.678 80 HG12 VAL 7 HG12 VAL 653 6.296 -18.658 -4.612 81 HG13 VAL 7 HG13 VAL 653 7.123 -18.998 -6.132 82 HG21 VAL 7 HG21 VAL 653 10.513 -18.078 -5.081 83 HG22 VAL 7 HG22 VAL 653 9.783 -19.692 -4.778 84 HG23 VAL 7 HG23 VAL 653 9.510 -18.864 -6.323 85 H ARG 8 H ARG 654 6.526 -15.525 -6.790 86 HA ARG 8 HA ARG 654 4.360 -15.221 -4.740 87 HB2 ARG 8 HB2 ARG 654 5.836 -13.085 -6.202 88 HB3 ARG 8 HB3 ARG 654 4.084 -13.011 -6.421 89 HG2 ARG 8 HG2 ARG 654 3.794 -12.951 -3.973 90 HG3 ARG 8 HG3 ARG 654 5.513 -13.196 -3.740 91 HD2 ARG 8 HD2 ARG 654 6.005 -10.927 -4.504 92 HD3 ARG 8 HD3 ARG 654 4.674 -10.980 -5.637 93 HE ARG 8 HE ARG 654 3.349 -9.870 -4.087 94 HH11 ARG 8 HH11 ARG 654 5.869 -11.406 -2.163 95 HH12 ARG 8 HH12 ARG 654 5.271 -10.685 -0.696 96 HH21 ARG 8 HH21 ARG 654 2.675 -9.016 -2.191 97 HH22 ARG 8 HH22 ARG 654 3.519 -9.368 -0.715 98 H CYS 9 H CYS 655 3.439 -16.955 -5.466 99 HA CYS 9 HA CYS 655 2.258 -16.979 -8.231 100 HB2 CYS 9 HB2 CYS 655 3.315 -19.068 -7.326 101 HB3 CYS 9 HB3 CYS 655 2.168 -19.056 -6.039 102 H ILE 10 H ILE 656 -0.019 -17.160 -8.545 103 HA ILE 10 HA ILE 656 -1.825 -15.660 -7.015 104 HB ILE 10 HB ILE 656 -3.625 -17.051 -8.116 105 HG12 ILE 10 HG12 ILE 656 -2.973 -18.439 -10.060 106 HG13 ILE 10 HG13 ILE 656 -1.306 -18.508 -9.489 107 HG21 ILE 10 HG21 ILE 656 -2.996 -16.155 -10.376 108 HG22 ILE 10 HG22 ILE 656 -2.809 -15.013 -9.029 109 HG23 ILE 10 HG23 ILE 656 -1.376 -15.804 -9.700 110 HD11 ILE 10 HD11 ILE 656 -3.642 -19.527 -7.822 111 HD12 ILE 10 HD12 ILE 656 -2.916 -20.503 -9.112 112 HD13 ILE 10 HD13 ILE 656 -1.917 -20.004 -7.756 113 H CYS 11 H CYS 657 -0.469 -18.572 -6.259 114 HA CYS 11 HA CYS 657 -2.524 -19.856 -4.674 115 HB2 CYS 11 HB2 CYS 657 0.378 -20.185 -5.349 116 HB3 CYS 11 HB3 CYS 657 -0.250 -21.050 -3.870 117 H GLU 12 H GLU 658 -0.442 -17.107 -4.193 118 HA GLU 12 HA GLU 658 0.589 -16.062 -2.536 119 HB2 GLU 12 HB2 GLU 658 -2.096 -16.703 -1.246 120 HB3 GLU 12 HB3 GLU 658 -0.962 -15.488 -0.605 121 HG2 GLU 12 HG2 GLU 658 -1.074 -14.299 -2.810 122 HG3 GLU 12 HG3 GLU 658 -2.339 -15.423 -3.326 123 H VAL 13 H VAL 659 1.516 -18.418 -2.795 124 HA VAL 13 HA VAL 659 2.574 -19.081 -0.125 125 HB VAL 13 HB VAL 659 0.868 -20.761 -1.190 126 HG11 VAL 13 HG11 VAL 659 1.920 -20.890 -3.414 127 HG12 VAL 13 HG12 VAL 659 3.329 -21.667 -2.704 128 HG13 VAL 13 HG13 VAL 659 1.746 -22.468 -2.613 129 HG21 VAL 13 HG21 VAL 659 2.101 -21.227 0.850 130 HG22 VAL 13 HG22 VAL 659 2.103 -22.664 -0.173 131 HG23 VAL 13 HG23 VAL 659 3.561 -21.647 -0.062 132 H GLN 14 H GLN 660 4.709 -19.039 -0.066 133 HA GLN 14 HA GLN 660 6.302 -18.601 -2.506 134 HB2 GLN 14 HB2 GLN 660 7.036 -18.724 0.409 135 HB3 GLN 14 HB3 GLN 660 8.222 -18.568 -0.894 136 HG2 GLN 14 HG2 GLN 660 7.689 -16.434 0.209 137 HG3 GLN 14 HG3 GLN 660 7.373 -16.413 -1.510 138 HE21 GLN 14 HE21 GLN 660 5.184 -16.038 -2.227 139 HE22 GLN 14 HE22 GLN 660 3.901 -15.698 -1.057 140 H GLU 15 H GLU 661 4.982 -21.391 -1.525 141 HA GLU 15 HA GLU 661 7.041 -23.294 -1.217 142 HB2 GLU 15 HB2 GLU 661 4.688 -23.693 -0.603 143 HB3 GLU 15 HB3 GLU 661 4.240 -23.644 -2.310 144 HG2 GLU 15 HG2 GLU 661 4.291 -25.915 -1.511 145 HG3 GLU 15 HG3 GLU 661 5.506 -25.682 -2.751 146 H GLU 16 H GLU 662 7.714 -24.924 -2.755 147 HA GLU 16 HA GLU 662 7.889 -23.987 -5.475 148 HB2 GLU 16 HB2 GLU 662 9.994 -25.756 -4.687 149 HB3 GLU 16 HB3 GLU 662 9.933 -24.596 -5.964 150 HG2 GLU 16 HG2 GLU 662 10.424 -22.744 -4.728 151 HG3 GLU 16 HG3 GLU 662 10.008 -23.508 -3.194 152 H ASN 17 H ASN 663 6.867 -25.059 -6.407 153 HA ASN 17 HA ASN 663 6.007 -27.879 -6.392 154 HB2 ASN 17 HB2 ASN 663 5.610 -25.672 -8.406 155 HB3 ASN 17 HB3 ASN 663 5.294 -27.328 -8.834 156 HD21 ASN 17 HD21 ASN 663 2.004 -26.403 -7.985 157 HD22 ASN 17 HD22 ASN 663 3.105 -26.535 -9.312 158 H ASP 18 H ASP 664 6.446 -29.202 -8.456 159 HA ASP 18 HA ASP 664 9.194 -29.742 -8.947 160 HB2 ASP 18 HB2 ASP 664 7.357 -31.337 -9.326 161 HB3 ASP 18 HB3 ASP 664 6.731 -30.333 -10.637 162 H PHE 19 H PHE 665 7.051 -27.438 -10.590 163 HA PHE 19 HA PHE 665 9.315 -26.495 -12.219 164 HB2 PHE 19 HB2 PHE 665 7.691 -27.694 -13.752 165 HB3 PHE 19 HB3 PHE 665 6.397 -26.743 -13.080 166 HD1 PHE 19 HD1 PHE 665 5.624 -25.346 -14.761 167 HD2 PHE 19 HD2 PHE 665 9.886 -25.930 -14.286 168 HE1 PHE 19 HE1 PHE 665 6.079 -23.732 -16.594 169 HE2 PHE 19 HE2 PHE 665 10.308 -24.256 -16.048 170 HZ PHE 19 HZ PHE 665 8.405 -23.267 -17.252 171 H MET 20 H MET 666 9.801 -24.346 -12.120 172 HA MET 20 HA MET 666 7.668 -22.488 -11.454 173 HB2 MET 20 HB2 MET 666 10.350 -22.106 -10.110 174 HB3 MET 20 HB3 MET 666 8.968 -21.135 -9.855 175 HG2 MET 20 HG2 MET 666 7.897 -23.458 -9.176 176 HG3 MET 20 HG3 MET 666 9.564 -23.999 -9.049 177 HE1 MET 20 HE1 MET 666 7.269 -21.438 -6.204 178 HE2 MET 20 HE2 MET 666 7.845 -20.428 -7.574 179 HE3 MET 20 HE3 MET 666 6.827 -21.851 -7.873 180 H ILE 21 H ILE 667 7.966 -20.343 -12.232 181 HA ILE 21 HA ILE 667 10.090 -19.961 -14.278 182 HB ILE 21 HB ILE 667 7.307 -18.869 -14.634 183 HG12 ILE 21 HG12 ILE 667 8.139 -21.195 -16.358 184 HG13 ILE 21 HG13 ILE 667 7.568 -21.582 -14.734 185 HG21 ILE 21 HG21 ILE 667 9.088 -17.901 -16.248 186 HG22 ILE 21 HG22 ILE 667 9.112 -19.454 -17.082 187 HG23 ILE 21 HG23 ILE 667 7.640 -18.550 -17.029 188 HD11 ILE 21 HD11 ILE 667 6.092 -20.013 -16.795 189 HD12 ILE 21 HD12 ILE 667 5.731 -21.605 -16.133 190 HD13 ILE 21 HD13 ILE 667 5.592 -20.160 -15.080 191 H GLN 22 H GLN 668 10.532 -17.620 -14.770 192 HA GLN 22 HA GLN 668 9.877 -15.944 -12.352 193 HB2 GLN 22 HB2 GLN 668 12.270 -16.378 -12.325 194 HB3 GLN 22 HB3 GLN 668 12.352 -16.134 -14.091 195 HG2 GLN 22 HG2 GLN 668 12.101 -13.728 -13.905 196 HG3 GLN 22 HG3 GLN 668 11.469 -13.925 -12.292 197 HE21 GLN 22 HE21 GLN 668 13.055 -13.635 -10.528 198 HE22 GLN 22 HE22 GLN 668 14.772 -13.739 -10.864 199 H CYS 23 H CYS 669 8.902 -14.031 -12.608 200 HA CYS 23 HA CYS 669 7.834 -13.177 -15.163 201 HB2 CYS 23 HB2 CYS 669 6.838 -12.690 -12.921 202 HB3 CYS 23 HB3 CYS 669 8.250 -11.734 -12.505 203 H GLU 24 H GLU 670 8.670 -11.904 -16.665 204 HA GLU 24 HA GLU 670 11.479 -11.111 -16.470 205 HB2 GLU 24 HB2 GLU 670 11.180 -10.349 -18.697 206 HB3 GLU 24 HB3 GLU 670 10.446 -11.930 -18.555 207 HG2 GLU 24 HG2 GLU 670 8.537 -10.962 -19.479 208 HG3 GLU 24 HG3 GLU 670 8.311 -10.307 -17.910 209 H GLU 25 H GLU 671 8.538 -9.534 -15.556 210 HA GLU 25 HA GLU 671 9.589 -6.810 -15.932 211 HB2 GLU 25 HB2 GLU 671 7.287 -7.488 -16.423 212 HB3 GLU 25 HB3 GLU 671 7.014 -7.796 -14.762 213 HG2 GLU 25 HG2 GLU 671 6.071 -5.629 -15.627 214 HG3 GLU 25 HG3 GLU 671 6.998 -5.539 -14.143 215 H CYS 26 H CYS 672 8.333 -8.624 -13.122 216 HA CYS 26 HA CYS 672 9.922 -6.888 -11.384 217 HB2 CYS 26 HB2 CYS 672 8.448 -7.401 -9.706 218 HB3 CYS 26 HB3 CYS 672 7.498 -6.828 -11.092 219 H GLN 27 H GLN 673 10.375 -9.899 -12.591 220 HA GLN 27 HA GLN 673 11.740 -11.521 -12.141 221 HB2 GLN 27 HB2 GLN 673 12.701 -9.497 -10.275 222 HB3 GLN 27 HB3 GLN 673 12.938 -10.997 -9.607 223 HG2 GLN 27 HG2 GLN 673 14.833 -11.279 -10.710 224 HG3 GLN 27 HG3 GLN 673 14.021 -11.348 -12.241 225 HE21 GLN 27 HE21 GLN 673 13.352 -9.164 -13.284 226 HE22 GLN 27 HE22 GLN 673 14.579 -7.927 -13.182 227 H CYS 28 H CYS 674 9.052 -11.182 -10.303 228 HA CYS 28 HA CYS 674 9.657 -13.083 -8.286 229 HB2 CYS 28 HB2 CYS 674 7.203 -13.120 -7.966 230 HB3 CYS 28 HB3 CYS 674 7.923 -11.444 -8.075 231 HG CYS 28 HG CYS 674 5.569 -11.416 -9.236 232 H TRP 29 H TRP 675 8.940 -15.212 -7.969 233 HA TRP 29 HA TRP 675 8.859 -16.770 -10.440 234 HB2 TRP 29 HB2 TRP 675 9.870 -17.187 -7.663 235 HB3 TRP 29 HB3 TRP 675 9.608 -18.586 -8.718 236 HD1 TRP 29 HD1 TRP 675 11.775 -15.502 -8.299 237 HE1 TRP 29 HE1 TRP 675 14.042 -15.837 -9.588 238 HE3 TRP 29 HE3 TRP 675 10.610 -19.739 -10.833 239 HZ2 TRP 29 HZ2 TRP 675 15.125 -17.796 -11.325 240 HZ3 TRP 29 HZ3 TRP 675 12.302 -20.805 -12.368 241 HH2 TRP 29 HH2 TRP 675 14.559 -19.841 -12.589 242 H GLN 30 H GLN 676 7.374 -18.464 -10.866 243 HA GLN 30 HA GLN 676 5.243 -18.844 -8.809 244 HB2 GLN 30 HB2 GLN 676 4.775 -18.283 -11.766 245 HB3 GLN 30 HB3 GLN 676 3.529 -18.683 -10.581 246 HG2 GLN 30 HG2 GLN 676 3.330 -16.390 -10.778 247 HG3 GLN 30 HG3 GLN 676 4.217 -16.738 -9.284 248 HE21 GLN 30 HE21 GLN 676 5.263 -14.726 -9.215 249 HE22 GLN 30 HE22 GLN 676 6.490 -14.300 -10.434 250 H HIS 31 H HIS 677 3.896 -20.704 -9.269 251 HA HIS 31 HA HIS 677 5.408 -22.925 -10.461 252 HB2 HIS 31 HB2 HIS 677 2.422 -22.918 -9.846 253 HB3 HIS 31 HB3 HIS 677 3.539 -24.252 -9.901 254 HD2 HIS 31 HD2 HIS 677 5.663 -23.610 -7.930 255 HE1 HIS 31 HE1 HIS 677 2.814 -22.417 -4.979 256 HE2 HIS 31 HE2 HIS 677 5.195 -23.113 -5.351 257 H GLY 32 H GLY 678 5.523 -22.997 -12.681 258 HA2 GLY 32 HA2 GLY 678 4.016 -21.363 -14.316 259 HA3 GLY 32 HA3 GLY 678 4.731 -22.926 -14.881 260 H VAL 33 H VAL 679 3.056 -24.555 -13.271 261 HA VAL 33 HA VAL 679 0.887 -24.885 -15.146 262 HB VAL 33 HB VAL 679 2.118 -26.628 -14.015 263 HG11 VAL 33 HG11 VAL 679 1.487 -27.365 -11.745 264 HG12 VAL 33 HG12 VAL 679 2.120 -25.712 -11.677 265 HG13 VAL 33 HG13 VAL 679 0.369 -26.000 -11.571 266 HG21 VAL 33 HG21 VAL 679 -0.052 -27.098 -15.115 267 HG22 VAL 33 HG22 VAL 679 0.244 -28.179 -13.742 268 HG23 VAL 33 HG23 VAL 679 -0.898 -26.830 -13.573 269 H CYS 34 H CYS 680 1.143 -22.960 -12.296 270 HA CYS 34 HA CYS 680 -1.733 -22.561 -11.735 271 HB2 CYS 34 HB2 CYS 680 0.786 -21.178 -10.783 272 HB3 CYS 34 HB3 CYS 680 -0.813 -20.816 -10.284 273 H MET 35 H MET 681 0.834 -21.189 -13.671 274 HA MET 35 HA MET 681 -0.540 -18.630 -14.302 275 HB2 MET 35 HB2 MET 681 2.260 -19.687 -14.842 276 HB3 MET 35 HB3 MET 681 1.688 -18.093 -15.190 277 HG2 MET 35 HG2 MET 681 1.637 -19.063 -12.338 278 HG3 MET 35 HG3 MET 681 3.056 -18.345 -13.085 279 HE1 MET 35 HE1 MET 681 0.085 -17.395 -10.915 280 HE2 MET 35 HE2 MET 681 -0.678 -16.047 -11.797 281 HE3 MET 35 HE3 MET 681 -0.793 -17.689 -12.439 282 H GLY 36 H GLY 682 -0.301 -21.767 -15.678 283 HA2 GLY 36 HA2 GLY 682 -1.244 -22.556 -17.630 284 HA3 GLY 36 HA3 GLY 682 -1.376 -20.922 -18.270 285 H LEU 37 H LEU 683 1.653 -22.127 -16.968 286 HA LEU 37 HA LEU 683 2.708 -22.520 -19.711 287 HB2 LEU 37 HB2 LEU 683 4.398 -21.245 -17.642 288 HB3 LEU 37 HB3 LEU 683 4.621 -21.088 -19.344 289 HG LEU 37 HG LEU 683 2.147 -19.697 -18.424 290 HD11 LEU 37 HD11 LEU 683 4.720 -18.441 -17.455 291 HD12 LEU 37 HD12 LEU 683 3.036 -17.983 -17.167 292 HD13 LEU 37 HD13 LEU 683 3.693 -19.425 -16.386 293 HD21 LEU 37 HD21 LEU 683 3.174 -17.885 -19.624 294 HD22 LEU 37 HD22 LEU 683 4.750 -18.744 -19.654 295 HD23 LEU 37 HD23 LEU 683 3.327 -19.383 -20.576 296 H LEU 38 H LEU 684 4.788 -23.770 -19.645 297 HA LEU 38 HA LEU 684 5.187 -25.722 -17.565 298 HB2 LEU 38 HB2 LEU 684 4.482 -26.300 -20.496 299 HB3 LEU 38 HB3 LEU 684 5.329 -27.438 -19.512 300 HG LEU 38 HG LEU 684 2.422 -26.681 -19.570 301 HD11 LEU 38 HD11 LEU 684 4.013 -29.250 -19.168 302 HD12 LEU 38 HD12 LEU 684 2.231 -29.165 -19.230 303 HD13 LEU 38 HD13 LEU 684 3.186 -28.719 -20.648 304 HD21 LEU 38 HD21 LEU 684 3.769 -27.629 -17.040 305 HD22 LEU 38 HD22 LEU 684 2.806 -26.154 -17.339 306 HD23 LEU 38 HD23 LEU 684 2.009 -27.721 -17.376 307 H GLU 39 H GLU 685 7.316 -26.838 -18.102 308 HA GLU 39 HA GLU 685 9.308 -25.062 -19.066 309 HB2 GLU 39 HB2 GLU 685 10.692 -27.128 -19.232 310 HB3 GLU 39 HB3 GLU 685 10.017 -26.867 -17.631 311 HG2 GLU 39 HG2 GLU 685 9.912 -29.164 -18.002 312 HG3 GLU 39 HG3 GLU 685 8.282 -28.526 -17.962 313 H GLU 40 H GLU 686 7.264 -27.254 -20.885 314 HA GLU 40 HA GLU 686 8.684 -26.962 -23.366 315 HB2 GLU 40 HB2 GLU 686 6.589 -27.469 -24.552 316 HB3 GLU 40 HB3 GLU 686 7.161 -28.705 -23.413 317 HG2 GLU 40 HG2 GLU 686 5.486 -28.108 -21.846 318 HG3 GLU 40 HG3 GLU 686 4.985 -26.677 -22.773 319 H ASN 41 H ASN 687 6.147 -24.931 -21.919 320 HA ASN 41 HA ASN 687 6.000 -23.304 -24.389 321 HB2 ASN 41 HB2 ASN 687 4.381 -23.135 -21.853 322 HB3 ASN 41 HB3 ASN 687 4.035 -22.306 -23.299 323 HD21 ASN 41 HD21 ASN 687 1.749 -25.191 -23.041 324 HD22 ASN 41 HD22 ASN 687 2.179 -24.059 -21.815 325 H VAL 42 H VAL 688 8.034 -23.050 -21.766 326 HA VAL 42 HA VAL 688 7.700 -20.534 -20.658 327 HB VAL 42 HB VAL 688 10.353 -21.849 -21.259 328 HG11 VAL 42 HG11 VAL 688 9.693 -19.569 -19.356 329 HG12 VAL 42 HG12 VAL 688 11.260 -20.422 -19.481 330 HG13 VAL 42 HG13 VAL 688 10.705 -19.439 -20.810 331 HG21 VAL 42 HG21 VAL 688 8.828 -23.168 -19.965 332 HG22 VAL 42 HG22 VAL 688 10.252 -22.691 -19.103 333 HG23 VAL 42 HG23 VAL 688 8.682 -21.837 -18.791 334 HA PRO 43 HA PRO 689 8.525 -17.989 -24.306 335 HB2 PRO 43 HB2 PRO 689 7.324 -15.694 -23.388 336 HB3 PRO 43 HB3 PRO 689 6.352 -17.076 -23.939 337 HG2 PRO 43 HG2 PRO 689 7.115 -16.309 -21.137 338 HG3 PRO 43 HG3 PRO 689 5.496 -16.764 -21.745 339 HD2 PRO 43 HD2 PRO 689 7.172 -18.546 -20.481 340 HD3 PRO 43 HD3 PRO 689 6.085 -19.070 -21.737 341 H GLU 44 H GLU 690 9.615 -15.819 -24.550 342 HA GLU 44 HA GLU 690 12.052 -15.763 -22.868 343 HB2 GLU 44 HB2 GLU 690 11.141 -14.412 -25.393 344 HB3 GLU 44 HB3 GLU 690 12.285 -13.527 -24.398 345 HG2 GLU 44 HG2 GLU 690 12.868 -16.388 -25.278 346 HG3 GLU 44 HG3 GLU 690 13.203 -14.986 -26.283 347 H LYS 45 H LYS 691 9.052 -13.933 -23.336 348 HA LYS 45 HA LYS 691 9.563 -12.503 -20.789 349 HB2 LYS 45 HB2 LYS 691 8.398 -11.423 -23.377 350 HB3 LYS 45 HB3 LYS 691 8.190 -10.696 -21.824 351 HG2 LYS 45 HG2 LYS 691 10.649 -10.423 -21.566 352 HG3 LYS 45 HG3 LYS 691 10.893 -11.059 -23.201 353 HD2 LYS 45 HD2 LYS 691 9.363 -9.281 -24.110 354 HD3 LYS 45 HD3 LYS 691 9.282 -8.553 -22.519 355 HE2 LYS 45 HE2 LYS 691 10.726 -7.367 -24.143 356 HE3 LYS 45 HE3 LYS 691 11.578 -7.754 -22.672 357 HZ1 LYS 45 HZ1 LYS 691 11.769 -9.313 -25.217 358 HZ2 LYS 45 HZ2 LYS 691 12.884 -8.255 -24.677 359 HZ3 LYS 45 HZ3 LYS 691 12.628 -9.636 -23.852 360 H TYR 46 H TYR 692 8.466 -14.280 -19.886 361 HA TYR 46 HA TYR 692 5.499 -14.068 -20.098 362 HB2 TYR 46 HB2 TYR 692 5.820 -16.234 -19.382 363 HB3 TYR 46 HB3 TYR 692 7.379 -15.926 -18.677 364 HD1 TYR 46 HD1 TYR 692 3.704 -15.610 -18.102 365 HD2 TYR 46 HD2 TYR 692 7.673 -15.563 -16.420 366 HE1 TYR 46 HE1 TYR 692 2.742 -15.442 -15.771 367 HE2 TYR 46 HE2 TYR 692 6.713 -15.546 -14.134 368 HH TYR 46 HH TYR 692 4.824 -15.675 -12.950 369 H THR 47 H THR 693 4.350 -12.623 -19.177 370 HA THR 47 HA THR 693 5.312 -10.970 -16.912 371 HB THR 47 HB THR 693 3.000 -9.936 -17.364 372 HG1 THR 47 HG1 THR 693 2.482 -10.064 -19.661 373 HG21 THR 47 HG21 THR 693 5.098 -8.767 -17.720 374 HG22 THR 47 HG22 THR 693 5.227 -9.483 -19.350 375 HG23 THR 47 HG23 THR 693 3.886 -8.366 -18.954 376 H CYS 48 H CYS 694 4.479 -11.205 -14.920 377 HA CYS 48 HA CYS 694 2.637 -13.416 -14.355 378 HB2 CYS 48 HB2 CYS 694 3.501 -13.234 -12.167 379 HB3 CYS 48 HB3 CYS 694 4.857 -12.715 -13.051 380 H TYR 49 H TYR 695 0.575 -13.253 -13.410 381 HA TYR 49 HA TYR 695 -1.242 -11.308 -13.704 382 HB2 TYR 49 HB2 TYR 695 -2.379 -12.241 -12.015 383 HB3 TYR 49 HB3 TYR 695 -1.436 -13.568 -12.660 384 HD1 TYR 49 HD1 TYR 695 0.993 -13.907 -11.429 385 HD2 TYR 49 HD2 TYR 695 -2.513 -12.075 -9.662 386 HE1 TYR 49 HE1 TYR 695 1.906 -14.305 -9.179 387 HE2 TYR 49 HE2 TYR 695 -1.563 -12.482 -7.397 388 HH TYR 49 HH TYR 695 0.252 -13.225 -6.183 389 H VAL 50 H VAL 696 1.119 -11.060 -10.963 390 HA VAL 50 HA VAL 696 0.035 -8.686 -9.853 391 HB VAL 50 HB VAL 696 2.537 -10.241 -9.571 392 HG11 VAL 50 HG11 VAL 696 3.685 -8.613 -8.191 393 HG12 VAL 50 HG12 VAL 696 3.601 -8.096 -9.876 394 HG13 VAL 50 HG13 VAL 696 2.517 -7.358 -8.662 395 HG21 VAL 50 HG21 VAL 696 0.820 -8.889 -7.497 396 HG22 VAL 50 HG22 VAL 696 0.538 -10.515 -8.150 397 HG23 VAL 50 HG23 VAL 696 2.025 -10.184 -7.264 398 H CYS 51 H CYS 697 2.084 -9.104 -12.684 399 HA CYS 51 HA CYS 697 2.201 -6.208 -13.196 400 HB2 CYS 51 HB2 CYS 697 3.551 -8.491 -14.609 401 HB3 CYS 51 HB3 CYS 697 3.754 -6.793 -14.969 402 H GLN 52 H GLN 698 1.345 -9.266 -15.143 403 HA GLN 52 HA GLN 698 -0.006 -7.574 -17.068 404 HB2 GLN 52 HB2 GLN 698 -0.788 -9.707 -17.992 405 HB3 GLN 52 HB3 GLN 698 0.943 -9.533 -18.008 406 HG2 GLN 52 HG2 GLN 698 1.190 -11.242 -16.525 407 HG3 GLN 52 HG3 GLN 698 -0.303 -11.016 -15.729 408 HE21 GLN 52 HE21 GLN 698 1.181 -13.129 -17.871 409 HE22 GLN 52 HE22 GLN 698 -0.293 -13.843 -18.525 410 H ASP 53 H ASP 699 -1.192 -9.583 -14.421 411 HA ASP 53 HA ASP 699 -3.216 -9.968 -13.483 412 HB2 ASP 53 HB2 ASP 699 -3.450 -7.566 -13.039 413 HB3 ASP 53 HB3 ASP 699 -4.007 -7.319 -14.675 414 H1 ALA 1 H1 ALA 1 12.576 -16.693 -19.858 415 H2 ALA 1 H2 ALA 1 13.414 -15.408 -19.262 416 H3 ALA 1 H3 ALA 1 12.009 -15.168 -20.023 417 HA ALA 1 HA ALA 1 11.649 -14.922 -17.639 418 HB1 ALA 1 HB1 ALA 1 9.637 -16.275 -17.525 419 HB2 ALA 1 HB2 ALA 1 9.809 -15.654 -19.147 420 HB3 ALA 1 HB3 ALA 1 10.200 -17.353 -18.798 421 H ARG 2 H ARG 2 14.270 -16.162 -17.476 422 HA ARG 2 HA ARG 2 15.674 -17.626 -16.655 423 HB2 ARG 2 HB2 ARG 2 14.796 -16.012 -14.804 424 HB3 ARG 2 HB3 ARG 2 14.264 -17.514 -14.013 425 HG2 ARG 2 HG2 ARG 2 16.406 -18.351 -13.792 426 HG3 ARG 2 HG3 ARG 2 17.082 -17.258 -15.006 427 HD2 ARG 2 HD2 ARG 2 16.857 -15.345 -13.493 428 HD3 ARG 2 HD3 ARG 2 16.124 -16.334 -12.245 429 HE ARG 2 HE ARG 2 18.842 -16.951 -13.405 430 HH11 ARG 2 HH11 ARG 2 17.083 -16.236 -10.398 431 HH12 ARG 2 HH12 ARG 2 18.469 -16.691 -9.453 432 HH21 ARG 2 HH21 ARG 2 20.513 -17.441 -12.095 433 HH22 ARG 2 HH22 ARG 2 20.346 -17.309 -10.370 434 H THR 3 H THR 3 12.797 -18.952 -15.105 435 HA THR 3 HA THR 3 12.199 -20.968 -14.420 436 HB THR 3 HB THR 3 12.417 -22.900 -16.132 437 HG1 THR 3 HG1 THR 3 13.980 -21.836 -17.508 438 HG21 THR 3 HG21 THR 3 10.426 -21.679 -15.544 439 HG22 THR 3 HG22 THR 3 10.962 -20.280 -16.519 440 HG23 THR 3 HG23 THR 3 10.497 -21.834 -17.258 441 H MLY 4 H MLY 4 12.361 -22.964 -13.595 442 HA MLY 4 HA MLY 4 14.989 -24.170 -13.156 443 HB2 MLY 4 HB2 MLY 4 15.163 -23.679 -10.863 444 HB3 MLY 4 HB3 MLY 4 14.641 -22.142 -11.545 445 HG2 MLY 4 HG2 MLY 4 12.256 -22.850 -10.916 446 HG3 MLY 4 HG3 MLY 4 13.004 -24.149 -9.968 447 HD2 MLY 4 HD2 MLY 4 14.508 -21.932 -9.206 448 HD3 MLY 4 HD3 MLY 4 12.913 -21.213 -9.453 449 HE2 MLY 4 HE2 MLY 4 11.937 -22.971 -7.901 450 HE3 MLY 4 HE3 MLY 4 13.543 -23.621 -7.667 451 HH11 MLY 4 HH11 MLY 4 15.317 -22.196 -6.653 452 HH12 MLY 4 HH12 MLY 4 14.907 -20.616 -7.371 453 HH13 MLY 4 HH13 MLY 4 14.814 -20.854 -5.624 454 HH21 MLY 4 HH21 MLY 4 12.508 -19.942 -7.573 455 HH22 MLY 4 HH22 MLY 4 11.276 -20.898 -6.714 456 HH23 MLY 4 HH23 MLY 4 12.480 -19.996 -5.804 457 HZ MLY 4 HZ MLY 4 13.020 -22.314 -5.850 458 H GLN 5 H GLN 5 14.810 -26.117 -11.801 459 HA GLN 5 HA GLN 5 12.119 -27.251 -11.372 460 HB2 GLN 5 HB2 GLN 5 14.332 -28.760 -12.817 461 HB3 GLN 5 HB3 GLN 5 12.792 -29.435 -12.270 462 HG2 GLN 5 HG2 GLN 5 11.580 -27.965 -13.838 463 HG3 GLN 5 HG3 GLN 5 13.116 -27.304 -14.418 464 HE21 GLN 5 HE21 GLN 5 13.544 -30.703 -13.838 465 HE22 GLN 5 HE22 GLN 5 13.208 -31.186 -15.493 466 H THR 6 H THR 6 12.047 -28.797 -9.664 467 HA THR 6 HA THR 6 14.197 -28.626 -7.687 468 HB THR 6 HB THR 6 12.779 -30.180 -6.365 469 HG1 THR 6 HG1 THR 6 11.709 -31.382 -7.881 470 HG21 THR 6 HG21 THR 6 10.887 -28.646 -6.043 471 HG22 THR 6 HG22 THR 6 12.408 -27.752 -6.206 472 HG23 THR 6 HG23 THR 6 11.275 -27.821 -7.570 473 H ALA 7 H ALA 7 13.597 -30.749 -10.335 474 HA ALA 7 HA ALA 7 16.031 -32.260 -9.703 475 HB1 ALA 7 HB1 ALA 7 14.240 -33.653 -8.712 476 HB2 ALA 7 HB2 ALA 7 13.368 -33.644 -10.263 477 HB3 ALA 7 HB3 ALA 7 14.946 -34.448 -10.132 478 H ARG 8 H ARG 8 16.934 -33.324 -11.566 479 HA ARG 8 HA ARG 8 16.448 -31.934 -14.121 480 HB2 ARG 8 HB2 ARG 8 18.413 -34.140 -13.331 481 HB3 ARG 8 HB3 ARG 8 18.371 -33.341 -14.904 482 HG2 ARG 8 HG2 ARG 8 18.771 -31.140 -13.801 483 HG3 ARG 8 HG3 ARG 8 18.943 -31.957 -12.245 484 HD2 ARG 8 HD2 ARG 8 20.664 -32.466 -14.708 485 HD3 ARG 8 HD3 ARG 8 21.110 -31.418 -13.352 486 HE ARG 8 HE ARG 8 20.516 -33.889 -12.184 487 HH11 ARG 8 HH11 ARG 8 22.894 -32.784 -14.509 488 HH12 ARG 8 HH12 ARG 8 24.048 -34.012 -14.065 489 HH21 ARG 8 HH21 ARG 8 22.034 -35.441 -11.658 490 HH22 ARG 8 HH22 ARG 8 23.559 -35.477 -12.486 491 H LYS 9 H LYS 9 16.133 -33.037 -16.136 492 HA LYS 9 HA LYS 9 14.007 -35.027 -16.137 493 HB2 LYS 9 HB2 LYS 9 15.734 -33.882 -18.385 494 HB3 LYS 9 HB3 LYS 9 14.391 -35.003 -18.626 495 HG2 LYS 9 HG2 LYS 9 12.831 -33.385 -17.562 496 HG3 LYS 9 HG3 LYS 9 14.162 -32.219 -17.415 497 HD2 LYS 9 HD2 LYS 9 14.449 -32.186 -19.861 498 HD3 LYS 9 HD3 LYS 9 13.185 -33.425 -20.044 499 HE2 LYS 9 HE2 LYS 9 11.528 -31.889 -19.015 500 HE3 LYS 9 HE3 LYS 9 12.772 -30.646 -18.839 501 HZ1 LYS 9 HZ1 LYS 9 12.967 -30.566 -21.257 502 HZ2 LYS 9 HZ2 LYS 9 11.883 -31.782 -21.449 503 HZ3 LYS 9 HZ3 LYS 9 11.389 -30.343 -20.849 504 H SER 10 H SER 10 14.032 -37.112 -17.035 505 HA SER 10 HA SER 10 16.384 -38.745 -16.435 506 HB2 SER 10 HB2 SER 10 14.901 -40.603 -17.094 507 HB3 SER 10 HB3 SER 10 14.138 -39.532 -15.905 508 HG SER 10 HG SER 10 12.713 -40.062 -17.647 509 H THR 11 H THR 11 15.375 -37.046 -19.234 510 HA THR 11 HA THR 11 16.177 -38.787 -21.351 511 HB THR 11 HB THR 11 16.239 -36.691 -22.707 512 HG1 THR 11 HG1 THR 11 16.845 -35.329 -20.943 513 HG21 THR 11 HG21 THR 11 14.141 -37.978 -22.421 514 HG22 THR 11 HG22 THR 11 13.745 -37.016 -20.980 515 HG23 THR 11 HG23 THR 11 13.841 -36.241 -22.574 516 HN1 NH2 12 H01 THR 11 18.052 -39.193 -22.284 517 HN2 NH2 12 H02 THR 11 19.569 -38.419 -21.885 Start of MODEL 14 1 H1 GLY -3 H1 GLY -3 12.231 1.310 3.872 2 H2 GLY -3 H2 GLY -3 11.100 1.767 4.965 3 H3 GLY -3 H3 GLY -3 12.329 0.789 5.424 4 HA2 GLY -3 HA2 GLY -3 10.299 -0.495 5.203 5 HA3 GLY -3 HA3 GLY -3 10.171 0.073 3.530 6 H HIS -2 H HIS -2 10.448 -2.691 4.683 7 HA HIS -2 HA HIS -2 13.104 -3.681 4.334 8 HB2 HIS -2 HB2 HIS -2 12.052 -5.887 4.554 9 HB3 HIS -2 HB3 HIS -2 11.448 -4.751 5.754 10 HD2 HIS -2 HD2 HIS -2 8.860 -4.530 5.953 11 HE1 HIS -2 HE1 HIS -2 7.698 -6.433 2.311 12 HE2 HIS -2 HE2 HIS -2 6.852 -5.391 4.481 13 H MET -1 H MET -1 10.674 -3.144 1.895 14 HA MET -1 HA MET -1 11.444 -5.042 -0.058 15 HB2 MET -1 HB2 MET -1 10.438 -3.352 -1.652 16 HB3 MET -1 HB3 MET -1 9.379 -4.008 -0.403 17 HG2 MET -1 HG2 MET -1 10.761 -1.294 -0.239 18 HG3 MET -1 HG3 MET -1 9.192 -1.532 -0.985 19 HE1 MET -1 HE1 MET -1 6.808 -2.341 1.990 20 HE2 MET -1 HE2 MET -1 6.957 -2.055 0.243 21 HE3 MET -1 HE3 MET -1 7.606 -3.546 0.964 22 H ASP 0 H ASP 646 12.907 -1.947 0.634 23 HA ASP 0 HA ASP 646 14.453 -0.649 -0.371 24 HB2 ASP 0 HB2 ASP 646 15.640 -3.370 -1.044 25 HB3 ASP 0 HB3 ASP 646 16.409 -1.848 -1.463 26 H ARG 1 H ARG 647 12.280 -1.752 -2.079 27 HA ARG 1 HA ARG 647 11.366 -1.513 -4.227 28 HB2 ARG 1 HB2 ARG 647 11.470 0.691 -5.061 29 HB3 ARG 1 HB3 ARG 647 11.614 0.711 -3.291 30 HG2 ARG 1 HG2 ARG 647 12.882 2.469 -4.277 31 HG3 ARG 1 HG3 ARG 647 13.788 1.388 -3.235 32 HD2 ARG 1 HD2 ARG 647 15.137 2.004 -5.181 33 HD3 ARG 1 HD3 ARG 647 14.762 0.286 -5.162 34 HE ARG 1 HE ARG 647 13.388 0.482 -7.026 35 HH11 ARG 1 HH11 ARG 647 14.462 3.714 -6.157 36 HH12 ARG 1 HH12 ARG 647 13.923 4.401 -7.663 37 HH21 ARG 1 HH21 ARG 647 12.729 1.423 -8.930 38 HH22 ARG 1 HH22 ARG 647 12.968 3.122 -9.197 39 H TYR 2 H TYR 648 14.066 -2.886 -3.999 40 HA TYR 2 HA TYR 648 15.024 -2.901 -6.752 41 HB2 TYR 2 HB2 TYR 648 15.818 -3.915 -4.094 42 HB3 TYR 2 HB3 TYR 648 16.080 -5.107 -5.367 43 HD1 TYR 2 HD1 TYR 648 17.096 -1.787 -4.089 44 HD2 TYR 2 HD2 TYR 648 17.699 -4.751 -7.164 45 HE1 TYR 2 HE1 TYR 648 19.194 -0.644 -4.768 46 HE2 TYR 2 HE2 TYR 648 19.801 -3.595 -7.855 47 HH TYR 2 HH TYR 648 20.989 -0.632 -6.221 48 H ASP 3 H ASP 649 15.069 -4.712 -8.135 49 HA ASP 3 HA ASP 649 12.809 -6.614 -7.939 50 HB2 ASP 3 HB2 ASP 649 14.921 -6.260 -10.084 51 HB3 ASP 3 HB3 ASP 649 13.531 -7.345 -10.149 52 H PHE 4 H PHE 650 13.085 -8.314 -6.653 53 HA PHE 4 HA PHE 650 15.630 -9.888 -6.643 54 HB2 PHE 4 HB2 PHE 650 13.534 -9.404 -4.474 55 HB3 PHE 4 HB3 PHE 650 14.835 -10.551 -4.363 56 HD1 PHE 4 HD1 PHE 650 17.297 -9.415 -4.945 57 HD2 PHE 4 HD2 PHE 650 13.853 -7.397 -3.305 58 HE1 PHE 4 HE1 PHE 650 18.785 -7.739 -3.870 59 HE2 PHE 4 HE2 PHE 650 15.347 -5.744 -2.209 60 HZ PHE 4 HZ PHE 650 17.815 -5.922 -2.473 61 H GLU 5 H GLU 651 15.488 -12.101 -6.310 62 HA GLU 5 HA GLU 651 13.443 -13.514 -7.815 63 HB2 GLU 5 HB2 GLU 651 15.516 -14.679 -5.890 64 HB3 GLU 5 HB3 GLU 651 14.853 -15.448 -7.320 65 HG2 GLU 5 HG2 GLU 651 16.785 -13.109 -7.431 66 HG3 GLU 5 HG3 GLU 651 17.226 -14.803 -7.476 67 H VAL 6 H VAL 652 11.496 -13.313 -6.993 68 HA VAL 6 HA VAL 652 10.881 -14.022 -4.127 69 HB VAL 6 HB VAL 652 9.936 -11.758 -5.900 70 HG11 VAL 6 HG11 VAL 652 7.934 -12.569 -4.707 71 HG12 VAL 6 HG12 VAL 652 8.828 -12.585 -3.167 72 HG13 VAL 6 HG13 VAL 652 8.476 -11.050 -3.985 73 HG21 VAL 6 HG21 VAL 652 11.190 -11.700 -3.124 74 HG22 VAL 6 HG22 VAL 652 12.039 -11.360 -4.640 75 HG23 VAL 6 HG23 VAL 652 10.730 -10.300 -4.125 76 H VAL 7 H VAL 653 9.898 -15.917 -4.130 77 HA VAL 7 HA VAL 653 8.261 -16.735 -6.390 78 HB VAL 7 HB VAL 653 8.544 -17.977 -3.621 79 HG11 VAL 7 HG11 VAL 653 7.163 -18.991 -6.141 80 HG12 VAL 7 HG12 VAL 653 7.558 -19.992 -4.710 81 HG13 VAL 7 HG13 VAL 653 6.360 -18.688 -4.610 82 HG21 VAL 7 HG21 VAL 653 9.552 -18.904 -6.342 83 HG22 VAL 7 HG22 VAL 653 10.559 -18.029 -5.173 84 HG23 VAL 7 HG23 VAL 653 9.887 -19.642 -4.771 85 H ARG 8 H ARG 654 6.540 -15.542 -6.792 86 HA ARG 8 HA ARG 654 4.376 -15.258 -4.747 87 HB2 ARG 8 HB2 ARG 654 5.832 -13.107 -6.204 88 HB3 ARG 8 HB3 ARG 654 4.080 -13.043 -6.414 89 HG2 ARG 8 HG2 ARG 654 3.801 -12.997 -3.966 90 HG3 ARG 8 HG3 ARG 654 5.521 -13.232 -3.741 91 HD2 ARG 8 HD2 ARG 654 6.008 -10.962 -4.485 92 HD3 ARG 8 HD3 ARG 654 4.673 -11.004 -5.614 93 HE ARG 8 HE ARG 654 3.363 -9.899 -4.050 94 HH11 ARG 8 HH11 ARG 654 2.707 -9.053 -2.145 95 HH12 ARG 8 HH12 ARG 654 3.545 -9.436 -0.672 96 HH21 ARG 8 HH21 ARG 654 5.859 -11.495 -2.139 97 HH22 ARG 8 HH22 ARG 654 5.273 -10.775 -0.667 98 H CYS 9 H CYS 655 3.465 -17.001 -5.493 99 HA CYS 9 HA CYS 655 2.292 -17.007 -8.268 100 HB2 CYS 9 HB2 CYS 655 3.309 -19.112 -7.353 101 HB3 CYS 9 HB3 CYS 655 2.160 -19.072 -6.067 102 H ILE 10 H ILE 656 0.006 -17.155 -8.592 103 HA ILE 10 HA ILE 656 -1.788 -15.634 -7.064 104 HB ILE 10 HB ILE 656 -3.606 -17.025 -8.132 105 HG12 ILE 10 HG12 ILE 656 -2.984 -18.424 -10.076 106 HG13 ILE 10 HG13 ILE 656 -1.312 -18.504 -9.520 107 HG21 ILE 10 HG21 ILE 656 -2.804 -14.997 -9.065 108 HG22 ILE 10 HG22 ILE 656 -1.371 -15.792 -9.744 109 HG23 ILE 10 HG23 ILE 656 -2.991 -16.138 -10.409 110 HD11 ILE 10 HD11 ILE 656 -2.931 -20.483 -9.118 111 HD12 ILE 10 HD12 ILE 656 -1.926 -19.986 -7.773 112 HD13 ILE 10 HD13 ILE 656 -3.646 -19.497 -7.829 113 H CYS 11 H CYS 657 -0.454 -18.571 -6.302 114 HA CYS 11 HA CYS 657 -2.515 -19.790 -4.672 115 HB2 CYS 11 HB2 CYS 657 0.378 -20.177 -5.395 116 HB3 CYS 11 HB3 CYS 657 -0.227 -20.999 -3.883 117 H GLU 12 H GLU 658 -0.366 -17.088 -4.284 118 HA GLU 12 HA GLU 658 0.747 -16.031 -2.707 119 HB2 GLU 12 HB2 GLU 658 -1.970 -16.378 -1.394 120 HB3 GLU 12 HB3 GLU 658 -0.782 -15.153 -0.906 121 HG2 GLU 12 HG2 GLU 658 -2.162 -15.416 -3.607 122 HG3 GLU 12 HG3 GLU 658 -2.496 -14.195 -2.386 123 H VAL 13 H VAL 659 1.548 -18.338 -2.825 124 HA VAL 13 HA VAL 659 2.603 -18.974 -0.143 125 HB VAL 13 HB VAL 659 0.884 -20.650 -1.214 126 HG11 VAL 13 HG11 VAL 659 1.762 -22.361 -2.637 127 HG12 VAL 13 HG12 VAL 659 1.954 -20.782 -3.432 128 HG13 VAL 13 HG13 VAL 659 3.351 -21.574 -2.711 129 HG21 VAL 13 HG21 VAL 659 2.100 -21.129 0.836 130 HG22 VAL 13 HG22 VAL 659 2.099 -22.563 -0.198 131 HG23 VAL 13 HG23 VAL 659 3.560 -21.560 -0.069 132 H GLN 14 H GLN 660 4.750 -19.047 -0.089 133 HA GLN 14 HA GLN 660 6.353 -18.621 -2.528 134 HB2 GLN 14 HB2 GLN 660 7.078 -18.745 0.385 135 HB3 GLN 14 HB3 GLN 660 8.265 -18.603 -0.924 136 HG2 GLN 14 HG2 GLN 660 7.752 -16.467 0.205 137 HG3 GLN 14 HG3 GLN 660 7.456 -16.429 -1.518 138 HE21 GLN 14 HE21 GLN 660 5.294 -16.040 -2.253 139 HE22 GLN 14 HE22 GLN 660 3.980 -15.695 -1.116 140 H GLU 15 H GLU 661 4.986 -21.349 -1.634 141 HA GLU 15 HA GLU 661 6.983 -23.328 -1.216 142 HB2 GLU 15 HB2 GLU 661 4.612 -23.633 -0.576 143 HB3 GLU 15 HB3 GLU 661 4.157 -23.598 -2.282 144 HG2 GLU 15 HG2 GLU 661 4.147 -25.858 -1.417 145 HG3 GLU 15 HG3 GLU 661 5.333 -25.681 -2.700 146 H GLU 16 H GLU 662 7.549 -25.007 -2.774 147 HA GLU 16 HA GLU 662 7.732 -24.054 -5.467 148 HB2 GLU 16 HB2 GLU 662 9.881 -25.798 -4.829 149 HB3 GLU 16 HB3 GLU 662 9.738 -24.528 -5.959 150 HG2 GLU 16 HG2 GLU 662 11.116 -23.395 -4.720 151 HG3 GLU 16 HG3 GLU 662 9.686 -22.868 -3.917 152 H ASN 17 H ASN 663 6.676 -25.118 -6.438 153 HA ASN 17 HA ASN 663 5.921 -27.934 -6.412 154 HB2 ASN 17 HB2 ASN 663 5.495 -25.767 -8.486 155 HB3 ASN 17 HB3 ASN 663 5.164 -27.446 -8.842 156 HD21 ASN 17 HD21 ASN 663 1.897 -26.403 -8.016 157 HD22 ASN 17 HD22 ASN 663 3.001 -26.546 -9.341 158 H ASP 18 H ASP 664 6.414 -29.270 -8.507 159 HA ASP 18 HA ASP 664 9.275 -29.452 -8.843 160 HB2 ASP 18 HB2 ASP 664 7.652 -31.374 -8.935 161 HB3 ASP 18 HB3 ASP 664 7.200 -30.833 -10.559 162 H PHE 19 H PHE 665 7.080 -27.368 -10.417 163 HA PHE 19 HA PHE 665 9.266 -26.519 -12.160 164 HB2 PHE 19 HB2 PHE 665 7.683 -27.723 -13.731 165 HB3 PHE 19 HB3 PHE 665 6.364 -26.791 -13.075 166 HD1 PHE 19 HD1 PHE 665 5.630 -25.373 -14.762 167 HD2 PHE 19 HD2 PHE 665 9.875 -25.975 -14.206 168 HE1 PHE 19 HE1 PHE 665 6.126 -23.765 -16.590 169 HE2 PHE 19 HE2 PHE 665 10.343 -24.308 -15.948 170 HZ PHE 19 HZ PHE 665 8.460 -23.299 -17.203 171 H MET 20 H MET 666 9.743 -24.386 -12.080 172 HA MET 20 HA MET 666 7.617 -22.520 -11.457 173 HB2 MET 20 HB2 MET 666 10.273 -22.177 -10.082 174 HB3 MET 20 HB3 MET 666 8.933 -21.165 -9.861 175 HG2 MET 20 HG2 MET 666 7.807 -23.452 -9.128 176 HG3 MET 20 HG3 MET 666 9.455 -24.026 -8.954 177 HE1 MET 20 HE1 MET 666 6.746 -21.909 -7.856 178 HE2 MET 20 HE2 MET 666 7.161 -21.459 -6.194 179 HE3 MET 20 HE3 MET 666 7.693 -20.440 -7.586 180 H ILE 21 H ILE 667 7.978 -20.365 -12.194 181 HA ILE 21 HA ILE 667 10.139 -19.993 -14.198 182 HB ILE 21 HB ILE 667 7.359 -18.913 -14.620 183 HG12 ILE 21 HG12 ILE 667 8.255 -21.197 -16.367 184 HG13 ILE 21 HG13 ILE 667 7.687 -21.617 -14.751 185 HG21 ILE 21 HG21 ILE 667 9.395 -19.410 -16.899 186 HG22 ILE 21 HG22 ILE 667 7.821 -18.678 -17.056 187 HG23 ILE 21 HG23 ILE 667 9.070 -17.848 -16.119 188 HD11 ILE 21 HD11 ILE 667 5.863 -21.660 -16.165 189 HD12 ILE 21 HD12 ILE 667 5.681 -20.257 -15.064 190 HD13 ILE 21 HD13 ILE 667 6.182 -20.034 -16.769 191 H GLN 22 H GLN 668 10.581 -17.686 -14.658 192 HA GLN 22 HA GLN 668 9.849 -15.939 -12.315 193 HB2 GLN 22 HB2 GLN 668 12.253 -16.367 -12.316 194 HB3 GLN 22 HB3 GLN 668 12.291 -16.113 -14.083 195 HG2 GLN 22 HG2 GLN 668 12.083 -13.715 -13.893 196 HG3 GLN 22 HG3 GLN 668 11.446 -13.904 -12.285 197 HE21 GLN 22 HE21 GLN 668 13.037 -13.640 -10.508 198 HE22 GLN 22 HE22 GLN 668 14.755 -13.721 -10.859 199 H CYS 23 H CYS 669 8.896 -14.026 -12.614 200 HA CYS 23 HA CYS 669 7.820 -13.191 -15.171 201 HB2 CYS 23 HB2 CYS 669 6.830 -12.698 -12.929 202 HB3 CYS 23 HB3 CYS 669 8.251 -11.753 -12.514 203 H GLU 24 H GLU 670 8.639 -11.917 -16.680 204 HA GLU 24 HA GLU 670 11.451 -11.104 -16.508 205 HB2 GLU 24 HB2 GLU 670 11.131 -10.373 -18.741 206 HB3 GLU 24 HB3 GLU 670 10.363 -11.936 -18.591 207 HG2 GLU 24 HG2 GLU 670 8.477 -10.908 -19.508 208 HG3 GLU 24 HG3 GLU 670 8.278 -10.297 -17.920 209 H GLU 25 H GLU 671 8.515 -9.543 -15.559 210 HA GLU 25 HA GLU 671 9.581 -6.819 -15.948 211 HB2 GLU 25 HB2 GLU 671 7.276 -7.466 -16.435 212 HB3 GLU 25 HB3 GLU 671 6.998 -7.791 -14.783 213 HG2 GLU 25 HG2 GLU 671 6.074 -5.607 -15.625 214 HG3 GLU 25 HG3 GLU 671 6.980 -5.560 -14.132 215 H CYS 26 H CYS 672 8.313 -8.610 -13.129 216 HA CYS 26 HA CYS 672 9.905 -6.870 -11.391 217 HB2 CYS 26 HB2 CYS 672 8.431 -7.372 -9.718 218 HB3 CYS 26 HB3 CYS 672 7.475 -6.833 -11.116 219 H GLN 27 H GLN 673 10.357 -9.894 -12.591 220 HA GLN 27 HA GLN 673 11.723 -11.511 -12.149 221 HB2 GLN 27 HB2 GLN 673 12.689 -9.477 -10.300 222 HB3 GLN 27 HB3 GLN 673 12.924 -10.973 -9.616 223 HG2 GLN 27 HG2 GLN 673 14.819 -11.284 -10.715 224 HG3 GLN 27 HG3 GLN 673 14.009 -11.354 -12.244 225 HE21 GLN 27 HE21 GLN 673 13.377 -9.197 -13.331 226 HE22 GLN 27 HE22 GLN 673 14.598 -7.955 -13.226 227 H CYS 28 H CYS 674 9.041 -11.177 -10.306 228 HA CYS 28 HA CYS 674 9.657 -13.070 -8.280 229 HB2 CYS 28 HB2 CYS 674 7.206 -13.122 -7.956 230 HB3 CYS 28 HB3 CYS 674 7.919 -11.440 -8.069 231 HG CYS 28 HG CYS 674 5.573 -11.405 -9.224 232 H TRP 29 H TRP 675 8.956 -15.199 -7.967 233 HA TRP 29 HA TRP 675 8.879 -16.780 -10.426 234 HB2 TRP 29 HB2 TRP 675 9.883 -17.179 -7.651 235 HB3 TRP 29 HB3 TRP 675 9.621 -18.578 -8.698 236 HD1 TRP 29 HD1 TRP 675 11.804 -15.490 -8.324 237 HE1 TRP 29 HE1 TRP 675 14.070 -15.857 -9.599 238 HE3 TRP 29 HE3 TRP 675 10.609 -19.763 -10.765 239 HZ2 TRP 29 HZ2 TRP 675 15.143 -17.867 -11.294 240 HZ3 TRP 29 HZ3 TRP 675 12.287 -20.865 -12.287 241 HH2 TRP 29 HH2 TRP 675 14.551 -19.945 -12.520 242 H GLN 30 H GLN 676 7.403 -18.480 -10.845 243 HA GLN 30 HA GLN 676 5.259 -18.857 -8.803 244 HB2 GLN 30 HB2 GLN 676 4.811 -18.300 -11.776 245 HB3 GLN 30 HB3 GLN 676 3.550 -18.689 -10.605 246 HG2 GLN 30 HG2 GLN 676 3.355 -16.418 -10.806 247 HG3 GLN 30 HG3 GLN 676 4.236 -16.758 -9.301 248 HE21 GLN 30 HE21 GLN 676 5.269 -14.740 -9.224 249 HE22 GLN 30 HE22 GLN 676 6.495 -14.300 -10.436 250 H HIS 31 H HIS 677 3.872 -20.706 -9.279 251 HA HIS 31 HA HIS 677 5.369 -22.946 -10.453 252 HB2 HIS 31 HB2 HIS 677 2.380 -22.930 -9.867 253 HB3 HIS 31 HB3 HIS 677 3.493 -24.265 -9.909 254 HD2 HIS 31 HD2 HIS 677 5.597 -23.669 -7.959 255 HE1 HIS 31 HE1 HIS 677 2.780 -22.426 -4.990 256 HE2 HIS 31 HE2 HIS 677 5.149 -23.164 -5.362 257 H GLY 32 H GLY 678 5.521 -23.011 -12.674 258 HA2 GLY 32 HA2 GLY 678 4.037 -21.355 -14.305 259 HA3 GLY 32 HA3 GLY 678 4.760 -22.903 -14.886 260 H VAL 33 H VAL 679 3.074 -24.560 -13.278 261 HA VAL 33 HA VAL 679 0.925 -24.897 -15.169 262 HB VAL 33 HB VAL 679 2.129 -26.647 -14.032 263 HG11 VAL 33 HG11 VAL 679 1.504 -27.374 -11.755 264 HG12 VAL 33 HG12 VAL 679 2.139 -25.720 -11.693 265 HG13 VAL 33 HG13 VAL 679 0.394 -25.998 -11.585 266 HG21 VAL 33 HG21 VAL 679 -0.032 -27.108 -15.128 267 HG22 VAL 33 HG22 VAL 679 0.260 -28.184 -13.754 268 HG23 VAL 33 HG23 VAL 679 -0.883 -26.840 -13.587 269 H CYS 34 H CYS 680 1.154 -22.952 -12.326 270 HA CYS 34 HA CYS 680 -1.731 -22.575 -11.781 271 HB2 CYS 34 HB2 CYS 680 0.773 -21.198 -10.789 272 HB3 CYS 34 HB3 CYS 680 -0.840 -20.816 -10.329 273 H MET 35 H MET 681 0.882 -21.164 -13.646 274 HA MET 35 HA MET 681 -0.505 -18.629 -14.319 275 HB2 MET 35 HB2 MET 681 2.298 -19.678 -14.854 276 HB3 MET 35 HB3 MET 681 1.717 -18.081 -15.205 277 HG2 MET 35 HG2 MET 681 1.703 -19.055 -12.355 278 HG3 MET 35 HG3 MET 681 3.105 -18.313 -13.118 279 HE1 MET 35 HE1 MET 681 -0.757 -17.742 -12.437 280 HE2 MET 35 HE2 MET 681 0.133 -17.407 -10.927 281 HE3 MET 35 HE3 MET 681 -0.671 -16.088 -11.810 282 H GLY 36 H GLY 682 -0.248 -21.773 -15.686 283 HA2 GLY 36 HA2 GLY 682 -1.134 -22.592 -17.639 284 HA3 GLY 36 HA3 GLY 682 -1.360 -20.953 -18.269 285 H LEU 37 H LEU 683 1.686 -22.121 -16.950 286 HA LEU 37 HA LEU 683 2.748 -22.507 -19.681 287 HB2 LEU 37 HB2 LEU 683 4.470 -21.269 -17.619 288 HB3 LEU 37 HB3 LEU 683 4.696 -21.126 -19.320 289 HG LEU 37 HG LEU 683 2.247 -19.679 -18.444 290 HD11 LEU 37 HD11 LEU 683 3.783 -19.458 -16.361 291 HD12 LEU 37 HD12 LEU 683 4.809 -18.452 -17.411 292 HD13 LEU 37 HD13 LEU 683 3.126 -18.008 -17.130 293 HD21 LEU 37 HD21 LEU 683 3.357 -17.906 -19.623 294 HD22 LEU 37 HD22 LEU 683 4.909 -18.820 -19.602 295 HD23 LEU 37 HD23 LEU 683 3.495 -19.417 -20.556 296 H LEU 38 H LEU 684 4.726 -23.808 -19.708 297 HA LEU 38 HA LEU 684 5.235 -25.707 -17.564 298 HB2 LEU 38 HB2 LEU 684 3.922 -26.163 -20.249 299 HB3 LEU 38 HB3 LEU 684 5.304 -27.159 -19.916 300 HG LEU 38 HG LEU 684 2.987 -28.041 -19.370 301 HD11 LEU 38 HD11 LEU 684 5.186 -29.033 -18.848 302 HD12 LEU 38 HD12 LEU 684 5.254 -28.108 -17.340 303 HD13 LEU 38 HD13 LEU 684 4.012 -29.375 -17.545 304 HD21 LEU 38 HD21 LEU 684 3.306 -26.543 -16.768 305 HD22 LEU 38 HD22 LEU 684 2.151 -26.136 -18.055 306 HD23 LEU 38 HD23 LEU 684 2.041 -27.698 -17.218 307 H GLU 39 H GLU 685 7.355 -26.813 -18.086 308 HA GLU 39 HA GLU 685 9.347 -25.071 -19.122 309 HB2 GLU 39 HB2 GLU 685 10.726 -27.147 -19.233 310 HB3 GLU 39 HB3 GLU 685 10.051 -26.845 -17.641 311 HG2 GLU 39 HG2 GLU 685 9.948 -29.149 -17.967 312 HG3 GLU 39 HG3 GLU 685 8.309 -28.524 -17.952 313 H GLU 40 H GLU 686 7.220 -27.259 -20.860 314 HA GLU 40 HA GLU 686 8.666 -27.092 -23.362 315 HB2 GLU 40 HB2 GLU 686 6.484 -27.533 -24.482 316 HB3 GLU 40 HB3 GLU 686 7.064 -28.792 -23.384 317 HG2 GLU 40 HG2 GLU 686 5.424 -28.336 -21.793 318 HG3 GLU 40 HG3 GLU 686 5.040 -26.726 -22.463 319 H ASN 41 H ASN 687 6.265 -24.923 -21.895 320 HA ASN 41 HA ASN 687 6.181 -23.315 -24.401 321 HB2 ASN 41 HB2 ASN 687 4.509 -23.139 -21.912 322 HB3 ASN 41 HB3 ASN 687 4.207 -22.276 -23.355 323 HD21 ASN 41 HD21 ASN 687 1.798 -25.016 -23.189 324 HD22 ASN 41 HD22 ASN 687 2.192 -23.692 -22.146 325 H VAL 42 H VAL 688 8.167 -23.059 -21.731 326 HA VAL 42 HA VAL 688 7.781 -20.544 -20.614 327 HB VAL 42 HB VAL 688 10.440 -21.850 -21.166 328 HG11 VAL 42 HG11 VAL 688 10.780 -19.399 -20.777 329 HG12 VAL 42 HG12 VAL 688 9.824 -19.534 -19.288 330 HG13 VAL 42 HG13 VAL 688 11.383 -20.388 -19.480 331 HG21 VAL 42 HG21 VAL 688 8.896 -21.699 -18.624 332 HG22 VAL 42 HG22 VAL 688 8.777 -23.045 -19.768 333 HG23 VAL 42 HG23 VAL 688 10.330 -22.705 -19.077 334 HA PRO 43 HA PRO 689 8.583 -18.016 -24.269 335 HB2 PRO 43 HB2 PRO 689 7.310 -15.751 -23.405 336 HB3 PRO 43 HB3 PRO 689 6.382 -17.187 -23.917 337 HG2 PRO 43 HG2 PRO 689 7.115 -16.304 -21.146 338 HG3 PRO 43 HG3 PRO 689 5.510 -16.828 -21.746 339 HD2 PRO 43 HD2 PRO 689 7.251 -18.539 -20.431 340 HD3 PRO 43 HD3 PRO 689 6.181 -19.110 -21.670 341 H GLU 44 H GLU 690 9.581 -15.809 -24.577 342 HA GLU 44 HA GLU 690 11.997 -15.635 -22.870 343 HB2 GLU 44 HB2 GLU 690 11.107 -14.422 -25.473 344 HB3 GLU 44 HB3 GLU 690 12.231 -13.478 -24.516 345 HG2 GLU 44 HG2 GLU 690 12.846 -16.382 -25.225 346 HG3 GLU 44 HG3 GLU 690 13.171 -15.038 -26.312 347 H LYS 45 H LYS 691 8.948 -13.911 -23.398 348 HA LYS 45 HA LYS 691 9.441 -12.449 -20.868 349 HB2 LYS 45 HB2 LYS 691 8.214 -11.388 -23.438 350 HB3 LYS 45 HB3 LYS 691 8.028 -10.676 -21.876 351 HG2 LYS 45 HG2 LYS 691 10.531 -10.410 -21.688 352 HG3 LYS 45 HG3 LYS 691 10.683 -10.949 -23.369 353 HD2 LYS 45 HD2 LYS 691 9.229 -9.097 -24.129 354 HD3 LYS 45 HD3 LYS 691 9.018 -8.554 -22.467 355 HE2 LYS 45 HE2 LYS 691 11.603 -8.499 -24.089 356 HE3 LYS 45 HE3 LYS 691 10.596 -7.134 -23.626 357 HZ1 LYS 45 HZ1 LYS 691 12.286 -8.778 -21.840 358 HZ2 LYS 45 HZ2 LYS 691 12.305 -7.158 -22.034 359 HZ3 LYS 45 HZ3 LYS 691 11.068 -7.883 -21.219 360 H TYR 46 H TYR 692 8.401 -14.237 -19.948 361 HA TYR 46 HA TYR 692 5.426 -14.076 -20.100 362 HB2 TYR 46 HB2 TYR 692 5.806 -16.235 -19.397 363 HB3 TYR 46 HB3 TYR 692 7.362 -15.898 -18.701 364 HD1 TYR 46 HD1 TYR 692 3.689 -15.623 -18.103 365 HD2 TYR 46 HD2 TYR 692 7.668 -15.566 -16.461 366 HE1 TYR 46 HE1 TYR 692 2.737 -15.449 -15.766 367 HE2 TYR 46 HE2 TYR 692 6.728 -15.548 -14.161 368 HH TYR 46 HH TYR 692 4.852 -15.671 -12.957 369 H THR 47 H THR 693 4.285 -12.632 -19.176 370 HA THR 47 HA THR 693 5.268 -10.973 -16.922 371 HB THR 47 HB THR 693 2.948 -9.945 -17.362 372 HG1 THR 47 HG1 THR 693 2.423 -10.068 -19.651 373 HG21 THR 47 HG21 THR 693 5.052 -8.783 -17.716 374 HG22 THR 47 HG22 THR 693 5.159 -9.480 -19.363 375 HG23 THR 47 HG23 THR 693 3.829 -8.366 -18.938 376 H CYS 48 H CYS 694 4.462 -11.214 -14.914 377 HA CYS 48 HA CYS 694 2.617 -13.416 -14.328 378 HB2 CYS 48 HB2 CYS 694 3.503 -13.238 -12.150 379 HB3 CYS 48 HB3 CYS 694 4.850 -12.715 -13.041 380 H TYR 49 H TYR 695 0.563 -13.254 -13.364 381 HA TYR 49 HA TYR 695 -1.256 -11.307 -13.633 382 HB2 TYR 49 HB2 TYR 695 -2.377 -12.250 -11.940 383 HB3 TYR 49 HB3 TYR 695 -1.426 -13.571 -12.592 384 HD1 TYR 49 HD1 TYR 695 1.005 -13.905 -11.376 385 HD2 TYR 49 HD2 TYR 695 -2.481 -12.072 -9.586 386 HE1 TYR 49 HE1 TYR 695 1.914 -14.343 -9.146 387 HE2 TYR 49 HE2 TYR 695 -1.530 -12.498 -7.319 388 HH TYR 49 HH TYR 695 0.163 -13.551 -6.121 389 H VAL 50 H VAL 696 1.131 -11.061 -10.918 390 HA VAL 50 HA VAL 696 0.056 -8.687 -9.798 391 HB VAL 50 HB VAL 696 2.562 -10.248 -9.535 392 HG11 VAL 50 HG11 VAL 696 3.722 -8.613 -8.168 393 HG12 VAL 50 HG12 VAL 696 3.618 -8.099 -9.855 394 HG13 VAL 50 HG13 VAL 696 2.541 -7.362 -8.632 395 HG21 VAL 50 HG21 VAL 696 0.855 -8.897 -7.447 396 HG22 VAL 50 HG22 VAL 696 0.577 -10.528 -8.091 397 HG23 VAL 50 HG23 VAL 696 2.072 -10.183 -7.223 398 H CYS 51 H CYS 697 2.085 -9.104 -12.641 399 HA CYS 51 HA CYS 697 2.194 -6.211 -13.163 400 HB2 CYS 51 HB2 CYS 697 3.537 -8.495 -14.586 401 HB3 CYS 51 HB3 CYS 697 3.732 -6.794 -14.946 402 H GLN 52 H GLN 698 1.324 -9.273 -15.095 403 HA GLN 52 HA GLN 698 -0.043 -7.578 -17.010 404 HB2 GLN 52 HB2 GLN 698 -0.836 -9.709 -17.925 405 HB3 GLN 52 HB3 GLN 698 0.895 -9.540 -17.958 406 HG2 GLN 52 HG2 GLN 698 1.144 -11.252 -16.479 407 HG3 GLN 52 HG3 GLN 698 -0.332 -11.015 -15.662 408 HE21 GLN 52 HE21 GLN 698 1.102 -13.132 -17.857 409 HE22 GLN 52 HE22 GLN 698 -0.389 -13.836 -18.479 410 H ASP 53 H ASP 699 -1.210 -9.583 -14.350 411 HA ASP 53 HA ASP 699 -3.228 -9.938 -13.383 412 HB2 ASP 53 HB2 ASP 699 -3.419 -7.530 -12.962 413 HB3 ASP 53 HB3 ASP 699 -4.004 -7.292 -14.593 414 H1 ALA 1 H1 ALA 1 13.337 -15.149 -19.504 415 H2 ALA 1 H2 ALA 1 11.882 -14.651 -20.059 416 H3 ALA 1 H3 ALA 1 12.350 -16.213 -20.266 417 HA ALA 1 HA ALA 1 11.696 -14.904 -17.683 418 HB1 ALA 1 HB1 ALA 1 10.207 -17.186 -19.107 419 HB2 ALA 1 HB2 ALA 1 9.823 -16.491 -17.542 420 HB3 ALA 1 HB3 ALA 1 9.673 -15.495 -18.991 421 H ARG 2 H ARG 2 13.239 -15.739 -16.129 422 HA ARG 2 HA ARG 2 14.927 -18.010 -16.536 423 HB2 ARG 2 HB2 ARG 2 14.812 -15.943 -14.753 424 HB3 ARG 2 HB3 ARG 2 14.268 -17.263 -13.706 425 HG2 ARG 2 HG2 ARG 2 16.276 -18.457 -13.962 426 HG3 ARG 2 HG3 ARG 2 16.886 -17.301 -15.170 427 HD2 ARG 2 HD2 ARG 2 16.941 -15.505 -13.524 428 HD3 ARG 2 HD3 ARG 2 16.116 -16.461 -12.315 429 HE ARG 2 HE ARG 2 18.739 -17.387 -13.454 430 HH11 ARG 2 HH11 ARG 2 17.109 -16.249 -10.492 431 HH12 ARG 2 HH12 ARG 2 18.465 -16.769 -9.533 432 HH21 ARG 2 HH21 ARG 2 20.369 -17.949 -12.114 433 HH22 ARG 2 HH22 ARG 2 20.240 -17.667 -10.407 434 H THR 3 H THR 3 14.889 -20.153 -15.607 435 HA THR 3 HA THR 3 12.387 -21.072 -14.315 436 HB THR 3 HB THR 3 12.474 -23.123 -15.917 437 HG1 THR 3 HG1 THR 3 14.180 -22.491 -17.250 438 HG21 THR 3 HG21 THR 3 10.673 -22.129 -17.140 439 HG22 THR 3 HG22 THR 3 10.591 -21.518 -15.535 440 HG23 THR 3 HG23 THR 3 11.263 -20.484 -16.815 441 H MLY 4 H MLY 4 12.374 -23.100 -13.362 442 HA MLY 4 HA MLY 4 14.928 -24.447 -12.830 443 HB2 MLY 4 HB2 MLY 4 14.882 -23.981 -10.435 444 HB3 MLY 4 HB3 MLY 4 14.742 -22.433 -11.279 445 HG2 MLY 4 HG2 MLY 4 12.205 -22.735 -11.051 446 HG3 MLY 4 HG3 MLY 4 12.555 -24.003 -9.880 447 HD2 MLY 4 HD2 MLY 4 13.860 -21.269 -9.543 448 HD3 MLY 4 HD3 MLY 4 12.160 -21.452 -9.164 449 HE2 MLY 4 HE2 MLY 4 12.674 -23.290 -7.547 450 HE3 MLY 4 HE3 MLY 4 14.381 -23.151 -7.964 451 HH11 MLY 4 HH11 MLY 4 11.560 -21.508 -6.202 452 HH12 MLY 4 HH12 MLY 4 12.496 -20.099 -5.691 453 HH13 MLY 4 HH13 MLY 4 11.990 -20.234 -7.367 454 HH21 MLY 4 HH21 MLY 4 14.305 -21.390 -4.790 455 HH22 MLY 4 HH22 MLY 4 13.462 -22.898 -5.178 456 HH23 MLY 4 HH23 MLY 4 15.117 -22.625 -5.752 457 HZ MLY 4 HZ MLY 4 14.314 -20.847 -7.153 458 H GLN 5 H GLN 5 14.611 -26.376 -11.440 459 HA GLN 5 HA GLN 5 11.853 -27.425 -11.258 460 HB2 GLN 5 HB2 GLN 5 14.148 -28.995 -12.492 461 HB3 GLN 5 HB3 GLN 5 12.532 -29.602 -12.128 462 HG2 GLN 5 HG2 GLN 5 11.586 -27.942 -13.775 463 HG3 GLN 5 HG3 GLN 5 13.236 -27.452 -14.177 464 HE21 GLN 5 HE21 GLN 5 12.564 -28.110 -16.432 465 HE22 GLN 5 HE22 GLN 5 12.681 -29.818 -16.830 466 H THR 6 H THR 6 11.519 -28.843 -9.538 467 HA THR 6 HA THR 6 13.498 -28.455 -7.384 468 HB THR 6 HB THR 6 10.678 -29.546 -7.292 469 HG1 THR 6 HG1 THR 6 10.289 -27.478 -7.291 470 HG21 THR 6 HG21 THR 6 12.604 -28.878 -5.029 471 HG22 THR 6 HG22 THR 6 10.856 -29.147 -4.842 472 HG23 THR 6 HG23 THR 6 11.891 -30.470 -5.384 473 H ALA 7 H ALA 7 11.942 -31.330 -8.942 474 HA ALA 7 HA ALA 7 13.873 -33.125 -7.587 475 HB1 ALA 7 HB1 ALA 7 12.552 -34.904 -8.644 476 HB2 ALA 7 HB2 ALA 7 11.499 -33.770 -7.785 477 HB3 ALA 7 HB3 ALA 7 11.622 -33.698 -9.553 478 H ARG 8 H ARG 8 14.810 -34.838 -9.102 479 HA ARG 8 HA ARG 8 16.329 -35.543 -10.613 480 HB2 ARG 8 HB2 ARG 8 15.160 -33.462 -12.478 481 HB3 ARG 8 HB3 ARG 8 16.231 -34.773 -12.946 482 HG2 ARG 8 HG2 ARG 8 14.638 -36.458 -12.507 483 HG3 ARG 8 HG3 ARG 8 13.602 -35.402 -11.549 484 HD2 ARG 8 HD2 ARG 8 14.074 -35.128 -14.543 485 HD3 ARG 8 HD3 ARG 8 12.654 -35.861 -13.807 486 HE ARG 8 HE ARG 8 13.234 -33.013 -14.078 487 HH11 ARG 8 HH11 ARG 8 11.258 -35.228 -12.097 488 HH12 ARG 8 HH12 ARG 8 10.242 -33.856 -11.627 489 HH21 ARG 8 HH21 ARG 8 11.820 -31.493 -13.338 490 HH22 ARG 8 HH22 ARG 8 10.520 -32.002 -12.226 491 H LYS 9 H LYS 9 16.362 -32.000 -10.628 492 HA LYS 9 HA LYS 9 18.045 -30.448 -10.511 493 HB2 LYS 9 HB2 LYS 9 19.205 -32.515 -8.609 494 HB3 LYS 9 HB3 LYS 9 19.578 -30.783 -8.629 495 HG2 LYS 9 HG2 LYS 9 17.156 -30.289 -8.196 496 HG3 LYS 9 HG3 LYS 9 16.869 -32.023 -7.994 497 HD2 LYS 9 HD2 LYS 9 18.767 -30.334 -6.308 498 HD3 LYS 9 HD3 LYS 9 17.134 -30.830 -5.843 499 HE2 LYS 9 HE2 LYS 9 17.818 -33.228 -5.996 500 HE3 LYS 9 HE3 LYS 9 19.461 -32.727 -6.417 501 HZ1 LYS 9 HZ1 LYS 9 19.265 -33.204 -4.039 502 HZ2 LYS 9 HZ2 LYS 9 19.614 -31.620 -4.242 503 HZ3 LYS 9 HZ3 LYS 9 18.096 -32.085 -3.848 504 H SER 10 H SER 10 18.386 -31.964 -12.821 505 HA SER 10 HA SER 10 21.220 -31.457 -13.412 506 HB2 SER 10 HB2 SER 10 21.178 -33.796 -12.540 507 HB3 SER 10 HB3 SER 10 20.038 -34.228 -13.829 508 HG SER 10 HG SER 10 22.233 -34.695 -14.385 509 H THR 11 H THR 11 21.681 -31.336 -15.653 510 HA THR 11 HA THR 11 19.529 -30.234 -17.257 511 HB THR 11 HB THR 11 21.321 -29.958 -18.982 512 HG1 THR 11 HG1 THR 11 22.613 -31.721 -18.209 513 HG21 THR 11 HG21 THR 11 22.540 -28.210 -17.768 514 HG22 THR 11 HG22 THR 11 20.815 -28.169 -17.359 515 HG23 THR 11 HG23 THR 11 21.981 -28.861 -16.212 516 HN1 NH2 12 H01 THR 11 18.379 -31.111 -18.815 517 HN2 NH2 12 H02 THR 11 18.655 -32.691 -19.515 Start of MODEL 15 1 H1 GLY -3 H1 GLY -3 8.731 0.737 5.250 2 H2 GLY -3 H2 GLY -3 7.968 0.384 3.847 3 H3 GLY -3 H3 GLY -3 7.274 -0.010 5.277 4 HA2 GLY -3 HA2 GLY -3 9.005 -1.605 5.768 5 HA3 GLY -3 HA3 GLY -3 8.173 -1.993 4.252 6 H HIS -2 H HIS -2 10.777 -2.888 4.950 7 HA HIS -2 HA HIS -2 12.827 -1.240 3.679 8 HB2 HIS -2 HB2 HIS -2 12.960 -4.065 4.768 9 HB3 HIS -2 HB3 HIS -2 14.332 -3.049 4.326 10 HD2 HIS -2 HD2 HIS -2 12.350 -4.016 7.277 11 HE1 HIS -2 HE1 HIS -2 14.021 -0.249 8.389 12 HE2 HIS -2 HE2 HIS -2 12.827 -2.330 9.249 13 H MET -1 H MET -1 11.294 -1.294 1.658 14 HA MET -1 HA MET -1 11.296 -3.541 -0.119 15 HB2 MET -1 HB2 MET -1 10.713 -1.837 -1.831 16 HB3 MET -1 HB3 MET -1 9.681 -1.783 -0.390 17 HG2 MET -1 HG2 MET -1 11.013 0.216 0.373 18 HG3 MET -1 HG3 MET -1 11.946 0.125 -1.121 19 HE1 MET -1 HE1 MET -1 9.874 3.345 -1.747 20 HE2 MET -1 HE2 MET -1 10.579 2.794 -0.215 21 HE3 MET -1 HE3 MET -1 11.493 2.611 -1.730 22 H ASP 0 H ASP 646 13.578 -0.958 0.255 23 HA ASP 0 HA ASP 646 15.369 -0.190 -0.814 24 HB2 ASP 0 HB2 ASP 646 15.940 -3.150 -1.214 25 HB3 ASP 0 HB3 ASP 646 17.060 -1.859 -1.600 26 H ARG 1 H ARG 647 13.069 -1.014 -2.545 27 HA ARG 1 HA ARG 647 12.317 -0.685 -4.740 28 HB2 ARG 1 HB2 ARG 647 12.944 1.379 -5.674 29 HB3 ARG 1 HB3 ARG 647 13.024 1.475 -3.900 30 HG2 ARG 1 HG2 ARG 647 14.692 2.843 -4.945 31 HG3 ARG 1 HG3 ARG 647 15.291 1.679 -3.777 32 HD2 ARG 1 HD2 ARG 647 16.814 1.823 -5.690 33 HD3 ARG 1 HD3 ARG 647 16.071 0.235 -5.558 34 HE ARG 1 HE ARG 647 14.817 0.591 -7.511 35 HH11 ARG 1 HH11 ARG 647 16.636 3.523 -6.845 36 HH12 ARG 1 HH12 ARG 647 16.338 4.174 -8.431 37 HH21 ARG 1 HH21 ARG 647 14.479 1.487 -9.508 38 HH22 ARG 1 HH22 ARG 647 15.144 3.044 -9.898 39 H TYR 2 H TYR 648 14.762 -2.528 -4.305 40 HA TYR 2 HA TYR 648 15.707 -2.958 -7.020 41 HB2 TYR 2 HB2 TYR 648 16.239 -3.905 -4.260 42 HB3 TYR 2 HB3 TYR 648 16.371 -5.176 -5.472 43 HD1 TYR 2 HD1 TYR 648 17.936 -2.151 -4.118 44 HD2 TYR 2 HD2 TYR 648 17.990 -5.004 -7.354 45 HE1 TYR 2 HE1 TYR 648 20.209 -1.371 -4.768 46 HE2 TYR 2 HE2 TYR 648 20.264 -4.231 -8.001 47 HH TYR 2 HH TYR 648 21.999 -2.786 -7.543 48 H ASP 3 H ASP 649 15.464 -4.848 -8.238 49 HA ASP 3 HA ASP 649 12.967 -6.419 -7.866 50 HB2 ASP 3 HB2 ASP 649 14.980 -6.383 -10.139 51 HB3 ASP 3 HB3 ASP 649 13.501 -7.340 -10.079 52 H PHE 4 H PHE 650 13.098 -8.184 -6.648 53 HA PHE 4 HA PHE 650 15.605 -9.805 -6.455 54 HB2 PHE 4 HB2 PHE 650 13.344 -9.302 -4.462 55 HB3 PHE 4 HB3 PHE 650 14.652 -10.421 -4.231 56 HD1 PHE 4 HD1 PHE 650 17.123 -9.386 -4.430 57 HD2 PHE 4 HD2 PHE 650 13.552 -7.134 -3.538 58 HE1 PHE 4 HE1 PHE 650 18.492 -7.663 -3.276 59 HE2 PHE 4 HE2 PHE 650 14.923 -5.428 -2.368 60 HZ PHE 4 HZ PHE 650 17.395 -5.708 -2.206 61 H GLU 5 H GLU 651 15.435 -12.005 -6.146 62 HA GLU 5 HA GLU 651 13.439 -13.423 -7.718 63 HB2 GLU 5 HB2 GLU 651 15.296 -14.834 -5.771 64 HB3 GLU 5 HB3 GLU 651 14.939 -15.281 -7.420 65 HG2 GLU 5 HG2 GLU 651 16.898 -13.173 -6.504 66 HG3 GLU 5 HG3 GLU 651 17.246 -14.752 -7.181 67 H VAL 6 H VAL 652 11.465 -13.295 -6.954 68 HA VAL 6 HA VAL 652 10.812 -14.008 -4.099 69 HB VAL 6 HB VAL 652 9.868 -11.739 -5.865 70 HG11 VAL 6 HG11 VAL 652 8.395 -11.051 -3.952 71 HG12 VAL 6 HG12 VAL 652 7.866 -12.556 -4.705 72 HG13 VAL 6 HG13 VAL 652 8.741 -12.600 -3.155 73 HG21 VAL 6 HG21 VAL 652 11.952 -11.316 -4.599 74 HG22 VAL 6 HG22 VAL 652 10.626 -10.286 -4.068 75 HG23 VAL 6 HG23 VAL 652 11.112 -11.694 -3.084 76 H VAL 7 H VAL 653 9.857 -15.909 -4.122 77 HA VAL 7 HA VAL 653 8.228 -16.721 -6.388 78 HB VAL 7 HB VAL 653 8.487 -17.960 -3.605 79 HG11 VAL 7 HG11 VAL 653 7.129 -19.003 -6.128 80 HG12 VAL 7 HG12 VAL 653 7.497 -19.973 -4.673 81 HG13 VAL 7 HG13 VAL 653 6.307 -18.669 -4.605 82 HG21 VAL 7 HG21 VAL 653 10.510 -18.051 -5.117 83 HG22 VAL 7 HG22 VAL 653 9.804 -19.662 -4.757 84 HG23 VAL 7 HG23 VAL 653 9.507 -18.884 -6.320 85 H ARG 8 H ARG 654 6.512 -15.508 -6.785 86 HA ARG 8 HA ARG 654 4.349 -15.225 -4.734 87 HB2 ARG 8 HB2 ARG 654 5.818 -13.078 -6.187 88 HB3 ARG 8 HB3 ARG 654 4.068 -13.008 -6.418 89 HG2 ARG 8 HG2 ARG 654 3.753 -12.952 -3.980 90 HG3 ARG 8 HG3 ARG 654 5.473 -13.196 -3.729 91 HD2 ARG 8 HD2 ARG 654 5.972 -10.929 -4.482 92 HD3 ARG 8 HD3 ARG 654 4.647 -10.969 -5.621 93 HE ARG 8 HE ARG 654 3.319 -9.876 -4.059 94 HH11 ARG 8 HH11 ARG 654 5.848 -11.427 -2.147 95 HH12 ARG 8 HH12 ARG 654 5.247 -10.710 -0.679 96 HH21 ARG 8 HH21 ARG 654 2.648 -9.039 -2.163 97 HH22 ARG 8 HH22 ARG 654 3.499 -9.400 -0.689 98 H CYS 9 H CYS 655 3.433 -16.959 -5.464 99 HA CYS 9 HA CYS 655 2.257 -16.984 -8.230 100 HB2 CYS 9 HB2 CYS 655 3.312 -19.061 -7.333 101 HB3 CYS 9 HB3 CYS 655 2.167 -19.062 -6.043 102 H ILE 10 H ILE 656 -0.019 -17.157 -8.546 103 HA ILE 10 HA ILE 656 -1.836 -15.667 -7.019 104 HB ILE 10 HB ILE 656 -3.624 -17.067 -8.122 105 HG12 ILE 10 HG12 ILE 656 -2.974 -18.449 -10.064 106 HG13 ILE 10 HG13 ILE 656 -1.306 -18.515 -9.493 107 HG21 ILE 10 HG21 ILE 656 -2.817 -15.018 -9.026 108 HG22 ILE 10 HG22 ILE 656 -1.379 -15.796 -9.698 109 HG23 ILE 10 HG23 ILE 656 -2.990 -16.154 -10.381 110 HD11 ILE 10 HD11 ILE 656 -2.901 -20.514 -9.116 111 HD12 ILE 10 HD12 ILE 656 -1.915 -20.010 -7.755 112 HD13 ILE 10 HD13 ILE 656 -3.641 -19.540 -7.831 113 H CYS 11 H CYS 657 -0.469 -18.578 -6.269 114 HA CYS 11 HA CYS 657 -2.524 -19.860 -4.676 115 HB2 CYS 11 HB2 CYS 657 0.383 -20.189 -5.359 116 HB3 CYS 11 HB3 CYS 657 -0.241 -21.051 -3.872 117 H GLU 12 H GLU 658 -0.448 -17.112 -4.199 118 HA GLU 12 HA GLU 658 0.581 -16.062 -2.545 119 HB2 GLU 12 HB2 GLU 658 -2.102 -16.715 -1.253 120 HB3 GLU 12 HB3 GLU 658 -0.977 -15.496 -0.603 121 HG2 GLU 12 HG2 GLU 658 -1.100 -14.297 -2.812 122 HG3 GLU 12 HG3 GLU 658 -2.347 -15.430 -3.331 123 H VAL 13 H VAL 659 1.523 -18.419 -2.803 124 HA VAL 13 HA VAL 659 2.576 -19.068 -0.136 125 HB VAL 13 HB VAL 659 0.872 -20.755 -1.193 126 HG11 VAL 13 HG11 VAL 659 3.334 -21.666 -2.701 127 HG12 VAL 13 HG12 VAL 659 1.751 -22.459 -2.617 128 HG13 VAL 13 HG13 VAL 659 1.930 -20.886 -3.418 129 HG21 VAL 13 HG21 VAL 659 2.107 -21.217 0.844 130 HG22 VAL 13 HG22 VAL 659 2.106 -22.660 -0.182 131 HG23 VAL 13 HG23 VAL 659 3.563 -21.641 -0.069 132 H GLN 14 H GLN 660 4.710 -19.030 -0.065 133 HA GLN 14 HA GLN 660 6.309 -18.594 -2.503 134 HB2 GLN 14 HB2 GLN 660 7.039 -18.716 0.411 135 HB3 GLN 14 HB3 GLN 660 8.225 -18.561 -0.892 136 HG2 GLN 14 HG2 GLN 660 7.684 -16.426 0.213 137 HG3 GLN 14 HG3 GLN 660 7.377 -16.406 -1.511 138 HE21 GLN 14 HE21 GLN 660 5.182 -16.061 -2.242 139 HE22 GLN 14 HE22 GLN 660 3.900 -15.707 -1.073 140 H GLU 15 H GLU 661 4.982 -21.379 -1.532 141 HA GLU 15 HA GLU 661 7.039 -23.282 -1.212 142 HB2 GLU 15 HB2 GLU 661 4.694 -23.686 -0.604 143 HB3 GLU 15 HB3 GLU 661 4.238 -23.632 -2.308 144 HG2 GLU 15 HG2 GLU 661 4.295 -25.907 -1.515 145 HG3 GLU 15 HG3 GLU 661 5.508 -25.668 -2.759 146 H GLU 16 H GLU 662 7.728 -24.905 -2.745 147 HA GLU 16 HA GLU 662 7.898 -23.978 -5.467 148 HB2 GLU 16 HB2 GLU 662 10.024 -25.737 -4.678 149 HB3 GLU 16 HB3 GLU 662 9.949 -24.583 -5.953 150 HG2 GLU 16 HG2 GLU 662 10.455 -22.734 -4.746 151 HG3 GLU 16 HG3 GLU 662 10.008 -23.458 -3.201 152 H ASN 17 H ASN 663 6.902 -25.064 -6.406 153 HA ASN 17 HA ASN 663 6.024 -27.874 -6.385 154 HB2 ASN 17 HB2 ASN 663 5.661 -25.666 -8.401 155 HB3 ASN 17 HB3 ASN 663 5.361 -27.320 -8.852 156 HD21 ASN 17 HD21 ASN 663 2.049 -26.446 -8.033 157 HD22 ASN 17 HD22 ASN 663 3.171 -26.512 -9.352 158 H ASP 18 H ASP 664 6.448 -29.172 -8.490 159 HA ASP 18 HA ASP 664 9.130 -29.837 -9.032 160 HB2 ASP 18 HB2 ASP 664 6.666 -30.087 -10.801 161 HB3 ASP 18 HB3 ASP 664 8.170 -30.943 -11.019 162 H PHE 19 H PHE 665 7.020 -27.543 -10.721 163 HA PHE 19 HA PHE 665 9.313 -26.480 -12.243 164 HB2 PHE 19 HB2 PHE 665 7.675 -27.680 -13.776 165 HB3 PHE 19 HB3 PHE 665 6.390 -26.720 -13.092 166 HD1 PHE 19 HD1 PHE 665 5.615 -25.338 -14.777 167 HD2 PHE 19 HD2 PHE 665 9.878 -25.917 -14.300 168 HE1 PHE 19 HE1 PHE 665 6.067 -23.717 -16.607 169 HE2 PHE 19 HE2 PHE 665 10.299 -24.239 -16.070 170 HZ PHE 19 HZ PHE 665 8.386 -23.242 -17.261 171 H MET 20 H MET 666 9.799 -24.335 -12.127 172 HA MET 20 HA MET 666 7.664 -22.474 -11.462 173 HB2 MET 20 HB2 MET 666 10.344 -22.101 -10.115 174 HB3 MET 20 HB3 MET 666 8.973 -21.129 -9.855 175 HG2 MET 20 HG2 MET 666 7.896 -23.455 -9.183 176 HG3 MET 20 HG3 MET 666 9.565 -23.996 -9.066 177 HE1 MET 20 HE1 MET 666 7.854 -20.429 -7.585 178 HE2 MET 20 HE2 MET 666 6.822 -21.847 -7.849 179 HE3 MET 20 HE3 MET 666 7.298 -21.420 -6.193 180 H ILE 21 H ILE 667 7.960 -20.343 -12.234 181 HA ILE 21 HA ILE 667 10.085 -19.959 -14.277 182 HB ILE 21 HB ILE 667 7.303 -18.856 -14.624 183 HG12 ILE 21 HG12 ILE 667 8.122 -21.178 -16.358 184 HG13 ILE 21 HG13 ILE 667 7.553 -21.568 -14.735 185 HG21 ILE 21 HG21 ILE 667 9.081 -17.888 -16.236 186 HG22 ILE 21 HG22 ILE 667 9.106 -19.445 -17.080 187 HG23 ILE 21 HG23 ILE 667 7.637 -18.535 -17.019 188 HD11 ILE 21 HD11 ILE 667 5.577 -20.139 -15.079 189 HD12 ILE 21 HD12 ILE 667 6.076 -19.988 -16.793 190 HD13 ILE 21 HD13 ILE 667 5.714 -21.579 -16.142 191 H GLN 22 H GLN 668 10.531 -17.618 -14.767 192 HA GLN 22 HA GLN 668 9.884 -15.936 -12.340 193 HB2 GLN 22 HB2 GLN 668 12.272 -16.378 -12.329 194 HB3 GLN 22 HB3 GLN 668 12.351 -16.122 -14.093 195 HG2 GLN 22 HG2 GLN 668 12.093 -13.719 -13.887 196 HG3 GLN 22 HG3 GLN 668 11.450 -13.927 -12.278 197 HE21 GLN 22 HE21 GLN 668 13.018 -13.712 -10.490 198 HE22 GLN 22 HE22 GLN 668 14.735 -13.782 -10.799 199 H CYS 23 H CYS 669 8.905 -14.021 -12.606 200 HA CYS 23 HA CYS 669 7.833 -13.165 -15.156 201 HB2 CYS 23 HB2 CYS 669 6.835 -12.684 -12.916 202 HB3 CYS 23 HB3 CYS 669 8.246 -11.736 -12.489 203 H GLU 24 H GLU 670 8.690 -11.914 -16.663 204 HA GLU 24 HA GLU 670 11.497 -11.123 -16.451 205 HB2 GLU 24 HB2 GLU 670 11.225 -10.392 -18.689 206 HB3 GLU 24 HB3 GLU 670 10.463 -11.959 -18.537 207 HG2 GLU 24 HG2 GLU 670 8.586 -10.957 -19.494 208 HG3 GLU 24 HG3 GLU 670 8.349 -10.301 -17.922 209 H GLU 25 H GLU 671 8.563 -9.545 -15.554 210 HA GLU 25 HA GLU 671 9.620 -6.820 -15.934 211 HB2 GLU 25 HB2 GLU 671 7.318 -7.490 -16.429 212 HB3 GLU 25 HB3 GLU 671 7.038 -7.800 -14.768 213 HG2 GLU 25 HG2 GLU 671 6.105 -5.627 -15.621 214 HG3 GLU 25 HG3 GLU 671 7.028 -5.559 -14.140 215 H CYS 26 H CYS 672 8.361 -8.633 -13.122 216 HA CYS 26 HA CYS 672 9.945 -6.893 -11.390 217 HB2 CYS 26 HB2 CYS 672 8.469 -7.383 -9.714 218 HB3 CYS 26 HB3 CYS 672 7.522 -6.824 -11.104 219 H GLN 27 H GLN 673 10.396 -9.916 -12.585 220 HA GLN 27 HA GLN 673 11.772 -11.528 -12.123 221 HB2 GLN 27 HB2 GLN 673 12.715 -9.502 -10.258 222 HB3 GLN 27 HB3 GLN 673 12.929 -11.009 -9.570 223 HG2 GLN 27 HG2 GLN 673 14.856 -11.304 -10.627 224 HG3 GLN 27 HG3 GLN 673 14.066 -11.391 -12.168 225 HE21 GLN 27 HE21 GLN 673 13.404 -9.226 -13.240 226 HE22 GLN 27 HE22 GLN 673 14.626 -7.981 -13.143 227 H CYS 28 H CYS 674 9.060 -11.169 -10.296 228 HA CYS 28 HA CYS 674 9.643 -13.070 -8.275 229 HB2 CYS 28 HB2 CYS 674 7.188 -13.108 -7.969 230 HB3 CYS 28 HB3 CYS 674 7.913 -11.430 -8.082 231 HG CYS 28 HG CYS 674 5.578 -11.377 -9.262 232 H TRP 29 H TRP 675 8.942 -15.200 -7.961 233 HA TRP 29 HA TRP 675 8.852 -16.759 -10.434 234 HB2 TRP 29 HB2 TRP 675 9.846 -17.196 -7.658 235 HB3 TRP 29 HB3 TRP 675 9.590 -18.586 -8.725 236 HD1 TRP 29 HD1 TRP 675 11.755 -15.506 -8.263 237 HE1 TRP 29 HE1 TRP 675 14.002 -15.822 -9.556 238 HE3 TRP 29 HE3 TRP 675 10.605 -19.729 -10.830 239 HZ2 TRP 29 HZ2 TRP 675 15.122 -17.773 -11.290 240 HZ3 TRP 29 HZ3 TRP 675 12.309 -20.787 -12.359 241 HH2 TRP 29 HH2 TRP 675 14.571 -19.821 -12.561 242 H GLN 30 H GLN 676 7.382 -18.450 -10.868 243 HA GLN 30 HA GLN 676 5.248 -18.835 -8.810 244 HB2 GLN 30 HB2 GLN 676 4.771 -18.268 -11.774 245 HB3 GLN 30 HB3 GLN 676 3.529 -18.669 -10.585 246 HG2 GLN 30 HG2 GLN 676 3.320 -16.378 -10.764 247 HG3 GLN 30 HG3 GLN 676 4.217 -16.728 -9.277 248 HE21 GLN 30 HE21 GLN 676 5.251 -14.712 -9.209 249 HE22 GLN 30 HE22 GLN 676 6.476 -14.278 -10.428 250 H HIS 31 H HIS 677 3.897 -20.689 -9.274 251 HA HIS 31 HA HIS 677 5.414 -22.910 -10.473 252 HB2 HIS 31 HB2 HIS 677 2.427 -22.928 -9.851 253 HB3 HIS 31 HB3 HIS 677 3.555 -24.247 -9.899 254 HD2 HIS 31 HD2 HIS 677 5.668 -23.607 -7.930 255 HE1 HIS 31 HE1 HIS 677 2.824 -22.405 -4.981 256 HE2 HIS 31 HE2 HIS 677 5.206 -23.107 -5.355 257 H GLY 32 H GLY 678 5.514 -23.003 -12.694 258 HA2 GLY 32 HA2 GLY 678 4.010 -21.354 -14.321 259 HA3 GLY 32 HA3 GLY 678 4.726 -22.915 -14.890 260 H VAL 33 H VAL 679 3.061 -24.559 -13.302 261 HA VAL 33 HA VAL 679 0.893 -24.889 -15.164 262 HB VAL 33 HB VAL 679 2.100 -26.637 -14.028 263 HG11 VAL 33 HG11 VAL 679 1.471 -27.355 -11.742 264 HG12 VAL 33 HG12 VAL 679 2.121 -25.711 -11.693 265 HG13 VAL 33 HG13 VAL 679 0.370 -25.972 -11.582 266 HG21 VAL 33 HG21 VAL 679 -0.911 -26.826 -13.581 267 HG22 VAL 33 HG22 VAL 679 -0.064 -27.101 -15.120 268 HG23 VAL 33 HG23 VAL 679 0.230 -28.174 -13.747 269 H CYS 34 H CYS 680 1.137 -22.966 -12.306 270 HA CYS 34 HA CYS 680 -1.733 -22.571 -11.736 271 HB2 CYS 34 HB2 CYS 680 0.788 -21.190 -10.785 272 HB3 CYS 34 HB3 CYS 680 -0.812 -20.825 -10.287 273 H MET 35 H MET 681 0.846 -21.159 -13.645 274 HA MET 35 HA MET 681 -0.541 -18.615 -14.296 275 HB2 MET 35 HB2 MET 681 2.251 -19.671 -14.857 276 HB3 MET 35 HB3 MET 681 1.676 -18.075 -15.199 277 HG2 MET 35 HG2 MET 681 1.640 -19.051 -12.351 278 HG3 MET 35 HG3 MET 681 3.063 -18.340 -13.096 279 HE1 MET 35 HE1 MET 681 0.099 -17.399 -10.927 280 HE2 MET 35 HE2 MET 681 -0.650 -16.023 -11.782 281 HE3 MET 35 HE3 MET 681 -0.792 -17.655 -12.452 282 H GLY 36 H GLY 682 -0.301 -21.761 -15.662 283 HA2 GLY 36 HA2 GLY 682 -1.208 -22.582 -17.607 284 HA3 GLY 36 HA3 GLY 682 -1.437 -20.946 -18.239 285 H LEU 37 H LEU 683 1.626 -22.095 -16.948 286 HA LEU 37 HA LEU 683 2.660 -22.478 -19.691 287 HB2 LEU 37 HB2 LEU 683 4.385 -21.214 -17.647 288 HB3 LEU 37 HB3 LEU 683 4.600 -21.071 -19.350 289 HG LEU 37 HG LEU 683 2.141 -19.648 -18.438 290 HD11 LEU 37 HD11 LEU 683 3.035 -17.946 -17.171 291 HD12 LEU 37 HD12 LEU 683 3.691 -19.388 -16.391 292 HD13 LEU 37 HD13 LEU 683 4.719 -18.408 -17.461 293 HD21 LEU 37 HD21 LEU 683 3.188 -17.868 -19.653 294 HD22 LEU 37 HD22 LEU 683 4.762 -18.738 -19.651 295 HD23 LEU 37 HD23 LEU 683 3.360 -19.387 -20.582 296 H LEU 38 H LEU 684 4.626 -23.778 -19.749 297 HA LEU 38 HA LEU 684 5.168 -25.660 -17.595 298 HB2 LEU 38 HB2 LEU 684 3.816 -26.116 -20.261 299 HB3 LEU 38 HB3 LEU 684 5.200 -27.113 -19.952 300 HG LEU 38 HG LEU 684 2.902 -28.008 -19.374 301 HD11 LEU 38 HD11 LEU 684 5.097 -28.989 -18.859 302 HD12 LEU 38 HD12 LEU 684 5.181 -28.050 -17.358 303 HD13 LEU 38 HD13 LEU 684 3.937 -29.317 -17.542 304 HD21 LEU 38 HD21 LEU 684 3.233 -26.500 -16.775 305 HD22 LEU 38 HD22 LEU 684 2.076 -26.088 -18.061 306 HD23 LEU 38 HD23 LEU 684 1.963 -27.652 -17.225 307 H GLU 39 H GLU 685 7.240 -26.766 -18.113 308 HA GLU 39 HA GLU 685 9.262 -25.086 -19.183 309 HB2 GLU 39 HB2 GLU 685 10.608 -27.182 -19.241 310 HB3 GLU 39 HB3 GLU 685 9.928 -26.841 -17.661 311 HG2 GLU 39 HG2 GLU 685 9.735 -29.118 -17.849 312 HG3 GLU 39 HG3 GLU 685 8.114 -28.494 -18.031 313 H GLU 40 H GLU 686 7.101 -27.251 -20.895 314 HA GLU 40 HA GLU 686 8.537 -27.104 -23.410 315 HB2 GLU 40 HB2 GLU 686 6.345 -27.534 -24.515 316 HB3 GLU 40 HB3 GLU 686 6.925 -28.792 -23.411 317 HG2 GLU 40 HG2 GLU 686 5.286 -28.319 -21.822 318 HG3 GLU 40 HG3 GLU 686 4.923 -26.702 -22.491 319 H ASN 41 H ASN 687 6.166 -24.910 -21.932 320 HA ASN 41 HA ASN 687 6.073 -23.292 -24.437 321 HB2 ASN 41 HB2 ASN 687 4.404 -23.115 -21.948 322 HB3 ASN 41 HB3 ASN 687 4.108 -22.254 -23.386 323 HD21 ASN 41 HD21 ASN 687 1.674 -24.970 -23.226 324 HD22 ASN 41 HD22 ASN 687 2.087 -23.669 -22.165 325 H VAL 42 H VAL 688 8.061 -23.068 -21.781 326 HA VAL 42 HA VAL 688 7.715 -20.550 -20.669 327 HB VAL 42 HB VAL 688 10.364 -21.889 -21.217 328 HG11 VAL 42 HG11 VAL 688 10.759 -19.468 -20.816 329 HG12 VAL 42 HG12 VAL 688 9.724 -19.553 -19.374 330 HG13 VAL 42 HG13 VAL 688 11.269 -20.442 -19.463 331 HG21 VAL 42 HG21 VAL 688 10.221 -22.710 -19.082 332 HG22 VAL 42 HG22 VAL 688 8.730 -21.744 -18.734 333 HG23 VAL 42 HG23 VAL 688 8.731 -23.106 -19.875 334 HA PRO 43 HA PRO 689 8.557 -18.002 -24.308 335 HB2 PRO 43 HB2 PRO 689 7.358 -15.709 -23.398 336 HB3 PRO 43 HB3 PRO 689 6.381 -17.088 -23.946 337 HG2 PRO 43 HG2 PRO 689 7.143 -16.315 -21.147 338 HG3 PRO 43 HG3 PRO 689 5.527 -16.774 -21.752 339 HD2 PRO 43 HD2 PRO 689 7.202 -18.549 -20.481 340 HD3 PRO 43 HD3 PRO 689 6.122 -19.077 -21.743 341 H GLU 44 H GLU 690 9.645 -15.823 -24.547 342 HA GLU 44 HA GLU 690 12.072 -15.774 -22.854 343 HB2 GLU 44 HB2 GLU 690 11.195 -14.417 -25.382 344 HB3 GLU 44 HB3 GLU 690 12.348 -13.550 -24.384 345 HG2 GLU 44 HG2 GLU 690 12.897 -16.431 -25.237 346 HG3 GLU 44 HG3 GLU 690 13.246 -15.047 -26.263 347 H LYS 45 H LYS 691 9.079 -13.941 -23.339 348 HA LYS 45 HA LYS 691 9.571 -12.514 -20.789 349 HB2 LYS 45 HB2 LYS 691 8.410 -11.435 -23.381 350 HB3 LYS 45 HB3 LYS 691 8.201 -10.712 -21.832 351 HG2 LYS 45 HG2 LYS 691 10.698 -10.473 -21.585 352 HG3 LYS 45 HG3 LYS 691 10.888 -11.039 -23.253 353 HD2 LYS 45 HD2 LYS 691 9.488 -9.178 -24.080 354 HD3 LYS 45 HD3 LYS 691 9.226 -8.610 -22.434 355 HE2 LYS 45 HE2 LYS 691 11.864 -8.611 -23.977 356 HE3 LYS 45 HE3 LYS 691 10.859 -7.226 -23.567 357 HZ1 LYS 45 HZ1 LYS 691 12.474 -8.862 -21.701 358 HZ2 LYS 45 HZ2 LYS 691 12.529 -7.249 -21.930 359 HZ3 LYS 45 HZ3 LYS 691 11.252 -7.937 -21.137 360 H TYR 46 H TYR 692 8.475 -14.277 -19.874 361 HA TYR 46 HA TYR 692 5.511 -14.088 -20.111 362 HB2 TYR 46 HB2 TYR 692 5.848 -16.249 -19.382 363 HB3 TYR 46 HB3 TYR 692 7.395 -15.925 -18.666 364 HD1 TYR 46 HD1 TYR 692 3.719 -15.622 -18.107 365 HD2 TYR 46 HD2 TYR 692 7.676 -15.549 -16.416 366 HE1 TYR 46 HE1 TYR 692 2.747 -15.434 -15.780 367 HE2 TYR 46 HE2 TYR 692 6.714 -15.501 -14.130 368 HH TYR 46 HH TYR 692 4.826 -15.642 -12.950 369 H THR 47 H THR 693 4.347 -12.666 -19.206 370 HA THR 47 HA THR 693 5.268 -10.955 -16.960 371 HB THR 47 HB THR 693 2.906 -9.993 -17.497 372 HG1 THR 47 HG1 THR 693 2.235 -11.348 -19.132 373 HG21 THR 47 HG21 THR 693 5.303 -9.448 -19.266 374 HG22 THR 47 HG22 THR 693 3.906 -8.366 -19.020 375 HG23 THR 47 HG23 THR 693 4.996 -8.732 -17.667 376 H CYS 48 H CYS 694 4.495 -11.201 -14.945 377 HA CYS 48 HA CYS 694 2.641 -13.381 -14.365 378 HB2 CYS 48 HB2 CYS 694 3.491 -13.202 -12.187 379 HB3 CYS 48 HB3 CYS 694 4.859 -12.684 -13.052 380 H TYR 49 H TYR 695 0.616 -13.232 -13.362 381 HA TYR 49 HA TYR 695 -1.164 -11.261 -13.719 382 HB2 TYR 49 HB2 TYR 695 -2.369 -12.203 -12.027 383 HB3 TYR 49 HB3 TYR 695 -1.430 -13.529 -12.682 384 HD1 TYR 49 HD1 TYR 695 0.998 -13.888 -11.430 385 HD2 TYR 49 HD2 TYR 695 -2.518 -12.073 -9.675 386 HE1 TYR 49 HE1 TYR 695 1.899 -14.295 -9.178 387 HE2 TYR 49 HE2 TYR 695 -1.589 -12.491 -7.407 388 HH TYR 49 HH TYR 695 0.218 -13.230 -6.188 389 H VAL 50 H VAL 696 1.132 -11.043 -10.942 390 HA VAL 50 HA VAL 696 0.038 -8.683 -9.815 391 HB VAL 50 HB VAL 696 2.541 -10.243 -9.541 392 HG11 VAL 50 HG11 VAL 696 2.532 -7.360 -8.628 393 HG12 VAL 50 HG12 VAL 696 3.696 -8.618 -8.153 394 HG13 VAL 50 HG13 VAL 696 3.616 -8.102 -9.840 395 HG21 VAL 50 HG21 VAL 696 0.545 -10.520 -8.121 396 HG22 VAL 50 HG22 VAL 696 2.025 -10.186 -7.226 397 HG23 VAL 50 HG23 VAL 696 0.817 -8.894 -7.464 398 H CYS 51 H CYS 697 2.109 -9.082 -12.641 399 HA CYS 51 HA CYS 697 2.239 -6.188 -13.115 400 HB2 CYS 51 HB2 CYS 697 3.560 -8.462 -14.577 401 HB3 CYS 51 HB3 CYS 697 3.754 -6.758 -14.928 402 H GLN 52 H GLN 698 1.332 -9.195 -15.119 403 HA GLN 52 HA GLN 698 -0.133 -7.371 -16.899 404 HB2 GLN 52 HB2 GLN 698 -0.764 -9.482 -17.995 405 HB3 GLN 52 HB3 GLN 698 0.965 -9.232 -17.982 406 HG2 GLN 52 HG2 GLN 698 1.242 -11.089 -16.624 407 HG3 GLN 52 HG3 GLN 698 -0.283 -11.024 -15.869 408 HE21 GLN 52 HE21 GLN 698 -2.007 -12.465 -16.820 409 HE22 GLN 52 HE22 GLN 698 -1.647 -13.333 -18.301 410 H ASP 53 H ASP 699 -1.147 -9.599 -14.390 411 HA ASP 53 HA ASP 699 -3.119 -10.305 -13.553 412 HB2 ASP 53 HB2 ASP 699 -3.806 -7.968 -13.186 413 HB3 ASP 53 HB3 ASP 699 -4.335 -7.878 -14.850 414 H1 ALA 1 H1 ALA 1 12.034 -15.164 -20.032 415 H2 ALA 1 H2 ALA 1 12.567 -16.705 -19.878 416 H3 ALA 1 H3 ALA 1 13.437 -15.438 -19.283 417 HA ALA 1 HA ALA 1 11.677 -14.921 -17.658 418 HB1 ALA 1 HB1 ALA 1 10.211 -17.351 -18.799 419 HB2 ALA 1 HB2 ALA 1 9.663 -16.272 -17.523 420 HB3 ALA 1 HB3 ALA 1 9.821 -15.650 -19.143 421 H ARG 2 H ARG 2 14.301 -16.189 -17.526 422 HA ARG 2 HA ARG 2 15.705 -17.634 -16.665 423 HB2 ARG 2 HB2 ARG 2 14.797 -16.023 -14.815 424 HB3 ARG 2 HB3 ARG 2 14.250 -17.522 -14.044 425 HG2 ARG 2 HG2 ARG 2 16.388 -18.383 -13.793 426 HG3 ARG 2 HG3 ARG 2 17.112 -17.271 -14.964 427 HD2 ARG 2 HD2 ARG 2 15.869 -16.248 -12.382 428 HD3 ARG 2 HD3 ARG 2 17.533 -16.817 -12.438 429 HE ARG 2 HE ARG 2 16.365 -14.388 -13.588 430 HH11 ARG 2 HH11 ARG 2 19.263 -16.387 -13.649 431 HH12 ARG 2 HH12 ARG 2 20.251 -15.105 -14.296 432 HH21 ARG 2 HH21 ARG 2 17.682 -12.805 -14.401 433 HH22 ARG 2 HH22 ARG 2 19.366 -13.116 -14.714 434 H THR 3 H THR 3 12.815 -18.940 -15.138 435 HA THR 3 HA THR 3 12.207 -20.937 -14.424 436 HB THR 3 HB THR 3 12.429 -22.903 -16.104 437 HG1 THR 3 HG1 THR 3 13.979 -21.849 -17.508 438 HG21 THR 3 HG21 THR 3 10.947 -20.297 -16.522 439 HG22 THR 3 HG22 THR 3 10.502 -21.866 -17.241 440 HG23 THR 3 HG23 THR 3 10.427 -21.685 -15.530 441 H MLY 4 H MLY 4 12.353 -22.926 -13.582 442 HA MLY 4 HA MLY 4 14.970 -24.147 -13.149 443 HB2 MLY 4 HB2 MLY 4 15.146 -23.696 -10.853 444 HB3 MLY 4 HB3 MLY 4 14.646 -22.143 -11.523 445 HG2 MLY 4 HG2 MLY 4 12.257 -22.827 -10.912 446 HG3 MLY 4 HG3 MLY 4 12.979 -24.141 -9.968 447 HD2 MLY 4 HD2 MLY 4 14.494 -21.912 -9.207 448 HD3 MLY 4 HD3 MLY 4 12.888 -21.212 -9.428 449 HE2 MLY 4 HE2 MLY 4 11.955 -22.997 -7.871 450 HE3 MLY 4 HE3 MLY 4 13.575 -23.628 -7.670 451 HH11 MLY 4 HH11 MLY 4 14.845 -20.872 -5.608 452 HH12 MLY 4 HH12 MLY 4 15.343 -22.206 -6.644 453 HH13 MLY 4 HH13 MLY 4 14.920 -20.632 -7.360 454 HH21 MLY 4 HH21 MLY 4 12.508 -20.023 -5.762 455 HH22 MLY 4 HH22 MLY 4 12.501 -19.969 -7.533 456 HH23 MLY 4 HH23 MLY 4 11.292 -20.929 -6.653 457 HZ MLY 4 HZ MLY 4 13.054 -22.342 -5.828 458 H GLN 5 H GLN 5 14.810 -26.185 -12.043 459 HA GLN 5 HA GLN 5 12.135 -27.403 -11.697 460 HB2 GLN 5 HB2 GLN 5 14.307 -28.406 -13.577 461 HB3 GLN 5 HB3 GLN 5 13.015 -29.442 -12.979 462 HG2 GLN 5 HG2 GLN 5 11.326 -28.215 -14.129 463 HG3 GLN 5 HG3 GLN 5 12.436 -26.893 -14.529 464 HE21 GLN 5 HE21 GLN 5 14.156 -27.268 -16.135 465 HE22 GLN 5 HE22 GLN 5 13.947 -28.566 -17.297 466 H THR 6 H THR 6 12.120 -29.121 -10.239 467 HA THR 6 HA THR 6 14.432 -29.441 -8.462 468 HB THR 6 HB THR 6 12.940 -30.872 -7.129 469 HG1 THR 6 HG1 THR 6 11.632 -31.764 -8.686 470 HG21 THR 6 HG21 THR 6 11.359 -29.158 -6.446 471 HG22 THR 6 HG22 THR 6 12.938 -28.428 -6.777 472 HG23 THR 6 HG23 THR 6 11.615 -28.253 -7.952 473 H ALA 7 H ALA 7 15.256 -30.235 -10.880 474 HA ALA 7 HA ALA 7 16.113 -31.822 -12.224 475 HB1 ALA 7 HB1 ALA 7 16.212 -33.590 -9.752 476 HB2 ALA 7 HB2 ALA 7 17.233 -33.700 -11.197 477 HB3 ALA 7 HB3 ALA 7 17.372 -32.299 -10.128 478 H ARG 8 H ARG 8 15.965 -34.435 -12.689 479 HA ARG 8 HA ARG 8 13.098 -35.226 -12.955 480 HB2 ARG 8 HB2 ARG 8 15.123 -35.134 -15.240 481 HB3 ARG 8 HB3 ARG 8 13.541 -35.919 -15.314 482 HG2 ARG 8 HG2 ARG 8 12.452 -33.704 -14.821 483 HG3 ARG 8 HG3 ARG 8 14.053 -32.940 -14.918 484 HD2 ARG 8 HD2 ARG 8 14.296 -33.746 -17.251 485 HD3 ARG 8 HD3 ARG 8 12.699 -34.515 -17.142 486 HE ARG 8 HE ARG 8 12.631 -31.668 -16.492 487 HH11 ARG 8 HH11 ARG 8 12.523 -33.823 -19.285 488 HH12 ARG 8 HH12 ARG 8 11.705 -32.620 -20.248 489 HH21 ARG 8 HH21 ARG 8 11.658 -30.276 -17.724 490 HH22 ARG 8 HH22 ARG 8 11.212 -30.610 -19.392 491 H LYS 9 H LYS 9 12.740 -37.447 -13.317 492 HA LYS 9 HA LYS 9 14.486 -39.209 -11.850 493 HB2 LYS 9 HB2 LYS 9 12.861 -40.923 -12.276 494 HB3 LYS 9 HB3 LYS 9 12.026 -39.429 -11.870 495 HG2 LYS 9 HG2 LYS 9 11.544 -39.054 -14.296 496 HG3 LYS 9 HG3 LYS 9 12.382 -40.567 -14.686 497 HD2 LYS 9 HD2 LYS 9 10.778 -41.809 -13.233 498 HD3 LYS 9 HD3 LYS 9 9.892 -40.310 -12.930 499 HE2 LYS 9 HE2 LYS 9 10.346 -41.567 -15.687 500 HE3 LYS 9 HE3 LYS 9 8.912 -41.834 -14.697 501 HZ1 LYS 9 HZ1 LYS 9 9.750 -39.195 -15.788 502 HZ2 LYS 9 HZ2 LYS 9 8.486 -40.091 -16.294 503 HZ3 LYS 9 HZ3 LYS 9 8.455 -39.432 -14.805 504 H SER 10 H SER 10 15.318 -41.265 -12.571 505 HA SER 10 HA SER 10 16.097 -41.598 -15.390 506 HB2 SER 10 HB2 SER 10 18.489 -41.668 -14.911 507 HB3 SER 10 HB3 SER 10 17.820 -40.077 -14.536 508 HG SER 10 HG SER 10 19.218 -40.818 -12.875 509 H THR 11 H THR 11 17.254 -43.633 -15.770 510 HA THR 11 HA THR 11 16.086 -45.873 -14.268 511 HB THR 11 HB THR 11 17.906 -45.810 -16.701 512 HG1 THR 11 HG1 THR 11 15.787 -45.009 -17.020 513 HG21 THR 11 HG21 THR 11 17.163 -48.172 -17.018 514 HG22 THR 11 HG22 THR 11 18.169 -47.983 -15.580 515 HG23 THR 11 HG23 THR 11 16.406 -48.136 -15.411 516 HN1 NH2 12 H01 THR 11 17.040 -46.868 -12.630 517 HN2 NH2 12 H02 THR 11 18.753 -46.839 -12.277 Start of MODEL 16 1 H1 GLY -3 H1 GLY -3 5.829 0.220 4.060 2 H2 GLY -3 H2 GLY -3 5.853 -1.400 4.286 3 H3 GLY -3 H3 GLY -3 7.253 -0.589 4.030 4 HA2 GLY -3 HA2 GLY -3 5.066 -0.892 2.057 5 HA3 GLY -3 HA3 GLY -3 6.570 -0.000 1.781 6 H HIS -2 H HIS -2 5.131 -2.742 0.892 7 HA HIS -2 HA HIS -2 7.098 -4.793 1.496 8 HB2 HIS -2 HB2 HIS -2 5.649 -6.194 0.155 9 HB3 HIS -2 HB3 HIS -2 4.672 -5.199 1.228 10 HD2 HIS -2 HD2 HIS -2 5.003 -6.155 -2.367 11 HE1 HIS -2 HE1 HIS -2 2.535 -2.676 -2.427 12 HE2 HIS -2 HE2 HIS -2 3.398 -4.635 -3.807 13 H MET -1 H MET -1 6.874 -2.466 -1.091 14 HA MET -1 HA MET -1 7.922 -3.953 -3.242 15 HB2 MET -1 HB2 MET -1 8.539 -1.715 -4.162 16 HB3 MET -1 HB3 MET -1 6.834 -1.910 -3.728 17 HG2 MET -1 HG2 MET -1 8.880 -0.469 -1.983 18 HG3 MET -1 HG3 MET -1 7.955 0.308 -3.253 19 HE1 MET -1 HE1 MET -1 7.972 1.569 -0.457 20 HE2 MET -1 HE2 MET -1 7.000 2.165 -1.820 21 HE3 MET -1 HE3 MET -1 6.242 1.926 -0.231 22 H ASP 0 H ASP 646 9.718 -2.301 -0.757 23 HA ASP 0 HA ASP 646 11.886 -1.776 -0.425 24 HB2 ASP 0 HB2 ASP 646 12.291 -4.517 -1.692 25 HB3 ASP 0 HB3 ASP 646 13.593 -3.541 -1.042 26 H ARG 1 H ARG 647 10.794 -1.314 -3.164 27 HA ARG 1 HA ARG 647 11.333 -0.257 -5.190 28 HB2 ARG 1 HB2 ARG 647 12.647 1.680 -4.983 29 HB3 ARG 1 HB3 ARG 647 11.810 1.355 -3.450 30 HG2 ARG 1 HG2 ARG 647 13.941 2.365 -3.076 31 HG3 ARG 1 HG3 ARG 647 13.674 0.843 -2.255 32 HD2 ARG 1 HD2 ARG 647 15.973 0.947 -3.057 33 HD3 ARG 1 HD3 ARG 647 15.065 -0.308 -3.881 34 HE ARG 1 HE ARG 647 15.107 0.857 -5.893 35 HH11 ARG 1 HH11 ARG 647 16.705 2.833 -3.467 36 HH12 ARG 1 HH12 ARG 647 17.398 3.900 -4.656 37 HH21 ARG 1 HH21 ARG 647 16.026 2.245 -7.351 38 HH22 ARG 1 HH22 ARG 647 17.017 3.565 -6.817 39 H TYR 2 H TYR 648 12.702 -2.838 -4.480 40 HA TYR 2 HA TYR 648 14.729 -2.901 -6.671 41 HB2 TYR 2 HB2 TYR 648 14.491 -4.094 -3.911 42 HB3 TYR 2 HB3 TYR 648 15.549 -4.859 -5.109 43 HD1 TYR 2 HD1 TYR 648 15.909 -3.252 -2.266 44 HD2 TYR 2 HD2 TYR 648 16.889 -2.498 -6.401 45 HE1 TYR 2 HE1 TYR 648 17.707 -1.698 -1.558 46 HE2 TYR 2 HE2 TYR 648 18.678 -0.939 -5.693 47 HH TYR 2 HH TYR 648 19.811 0.005 -3.919 48 H ASP 3 H ASP 649 14.882 -4.688 -7.973 49 HA ASP 3 HA ASP 649 12.624 -6.635 -7.972 50 HB2 ASP 3 HB2 ASP 649 14.819 -6.185 -10.015 51 HB3 ASP 3 HB3 ASP 649 13.461 -7.304 -10.153 52 H PHE 4 H PHE 650 12.938 -8.301 -6.647 53 HA PHE 4 HA PHE 650 15.539 -9.780 -6.596 54 HB2 PHE 4 HB2 PHE 650 13.420 -9.328 -4.444 55 HB3 PHE 4 HB3 PHE 650 14.743 -10.447 -4.304 56 HD1 PHE 4 HD1 PHE 650 17.145 -9.030 -5.154 57 HD2 PHE 4 HD2 PHE 650 13.730 -7.539 -2.973 58 HE1 PHE 4 HE1 PHE 650 18.570 -7.299 -4.092 59 HE2 PHE 4 HE2 PHE 650 15.166 -5.831 -1.895 60 HZ PHE 4 HZ PHE 650 17.593 -5.716 -2.439 61 H GLU 5 H GLU 651 15.432 -12.011 -6.180 62 HA GLU 5 HA GLU 651 13.430 -13.449 -7.722 63 HB2 GLU 5 HB2 GLU 651 15.307 -14.860 -5.794 64 HB3 GLU 5 HB3 GLU 651 14.954 -15.295 -7.449 65 HG2 GLU 5 HG2 GLU 651 16.898 -13.183 -6.508 66 HG3 GLU 5 HG3 GLU 651 17.254 -14.753 -7.202 67 H VAL 6 H VAL 652 11.469 -13.313 -6.957 68 HA VAL 6 HA VAL 652 10.818 -14.020 -4.096 69 HB VAL 6 HB VAL 652 9.870 -11.762 -5.872 70 HG11 VAL 6 HG11 VAL 652 7.866 -12.583 -4.701 71 HG12 VAL 6 HG12 VAL 652 8.749 -12.611 -3.151 72 HG13 VAL 6 HG13 VAL 652 8.393 -11.072 -3.956 73 HG21 VAL 6 HG21 VAL 652 11.114 -11.703 -3.089 74 HG22 VAL 6 HG22 VAL 652 11.957 -11.328 -4.599 75 HG23 VAL 6 HG23 VAL 652 10.630 -10.296 -4.076 76 H VAL 7 H VAL 653 9.855 -15.925 -4.124 77 HA VAL 7 HA VAL 653 8.242 -16.739 -6.405 78 HB VAL 7 HB VAL 653 8.490 -17.975 -3.623 79 HG11 VAL 7 HG11 VAL 653 7.487 -19.985 -4.705 80 HG12 VAL 7 HG12 VAL 653 6.307 -18.671 -4.606 81 HG13 VAL 7 HG13 VAL 653 7.105 -18.992 -6.143 82 HG21 VAL 7 HG21 VAL 653 10.508 -18.068 -5.147 83 HG22 VAL 7 HG22 VAL 653 9.807 -19.673 -4.756 84 HG23 VAL 7 HG23 VAL 653 9.504 -18.920 -6.334 85 H ARG 8 H ARG 654 6.506 -15.534 -6.806 86 HA ARG 8 HA ARG 654 4.349 -15.260 -4.747 87 HB2 ARG 8 HB2 ARG 654 5.809 -13.091 -6.183 88 HB3 ARG 8 HB3 ARG 654 4.062 -13.028 -6.411 89 HG2 ARG 8 HG2 ARG 654 3.753 -13.000 -3.964 90 HG3 ARG 8 HG3 ARG 654 5.470 -13.224 -3.724 91 HD2 ARG 8 HD2 ARG 654 5.950 -10.947 -4.458 92 HD3 ARG 8 HD3 ARG 654 4.627 -10.994 -5.596 93 HE ARG 8 HE ARG 654 3.299 -9.906 -4.035 94 HH11 ARG 8 HH11 ARG 654 5.795 -11.494 -2.119 95 HH12 ARG 8 HH12 ARG 654 5.182 -10.808 -0.642 96 HH21 ARG 8 HH21 ARG 654 2.610 -9.096 -2.134 97 HH22 ARG 8 HH22 ARG 654 3.433 -9.480 -0.656 98 H CYS 9 H CYS 655 3.443 -16.993 -5.505 99 HA CYS 9 HA CYS 655 2.268 -17.001 -8.273 100 HB2 CYS 9 HB2 CYS 655 3.303 -19.101 -7.378 101 HB3 CYS 9 HB3 CYS 655 2.161 -19.075 -6.084 102 H ILE 10 H ILE 656 -0.010 -17.165 -8.594 103 HA ILE 10 HA ILE 656 -1.827 -15.658 -7.075 104 HB ILE 10 HB ILE 656 -3.620 -17.054 -8.166 105 HG12 ILE 10 HG12 ILE 656 -2.980 -18.454 -10.102 106 HG13 ILE 10 HG13 ILE 656 -1.314 -18.525 -9.531 107 HG21 ILE 10 HG21 ILE 656 -2.971 -16.173 -10.438 108 HG22 ILE 10 HG22 ILE 656 -2.822 -15.029 -9.089 109 HG23 ILE 10 HG23 ILE 656 -1.372 -15.796 -9.738 110 HD11 ILE 10 HD11 ILE 656 -2.942 -20.507 -9.149 111 HD12 ILE 10 HD12 ILE 656 -1.927 -20.023 -7.802 112 HD13 ILE 10 HD13 ILE 656 -3.645 -19.526 -7.851 113 H CYS 11 H CYS 657 -0.479 -18.593 -6.320 114 HA CYS 11 HA CYS 657 -2.535 -19.823 -4.689 115 HB2 CYS 11 HB2 CYS 657 0.369 -20.192 -5.379 116 HB3 CYS 11 HB3 CYS 657 -0.260 -21.025 -3.886 117 H GLU 12 H GLU 658 -0.409 -17.106 -4.296 118 HA GLU 12 HA GLU 658 0.685 -16.038 -2.706 119 HB2 GLU 12 HB2 GLU 658 -2.034 -16.414 -1.405 120 HB3 GLU 12 HB3 GLU 658 -0.859 -15.175 -0.911 121 HG2 GLU 12 HG2 GLU 658 -2.232 -15.455 -3.618 122 HG3 GLU 12 HG3 GLU 658 -2.572 -14.232 -2.393 123 H VAL 13 H VAL 659 1.499 -18.346 -2.825 124 HA VAL 13 HA VAL 659 2.546 -18.977 -0.138 125 HB VAL 13 HB VAL 659 0.843 -20.660 -1.206 126 HG11 VAL 13 HG11 VAL 659 3.310 -21.580 -2.706 127 HG12 VAL 13 HG12 VAL 659 1.723 -22.376 -2.622 128 HG13 VAL 13 HG13 VAL 659 1.905 -20.802 -3.423 129 HG21 VAL 13 HG21 VAL 659 2.070 -21.131 0.840 130 HG22 VAL 13 HG22 VAL 659 2.063 -22.565 -0.185 131 HG23 VAL 13 HG23 VAL 659 3.527 -21.565 -0.072 132 H GLN 14 H GLN 660 4.697 -19.023 -0.071 133 HA GLN 14 HA GLN 660 6.298 -18.602 -2.510 134 HB2 GLN 14 HB2 GLN 660 7.022 -18.716 0.399 135 HB3 GLN 14 HB3 GLN 660 8.214 -18.569 -0.903 136 HG2 GLN 14 HG2 GLN 660 7.684 -16.436 0.215 137 HG3 GLN 14 HG3 GLN 660 7.400 -16.414 -1.511 138 HE21 GLN 14 HE21 GLN 660 5.242 -16.023 -2.272 139 HE22 GLN 14 HE22 GLN 660 3.924 -15.683 -1.140 140 H GLU 15 H GLU 661 4.940 -21.361 -1.537 141 HA GLU 15 HA GLU 661 6.960 -23.298 -1.203 142 HB2 GLU 15 HB2 GLU 661 4.606 -23.681 -0.628 143 HB3 GLU 15 HB3 GLU 661 4.164 -23.593 -2.329 144 HG2 GLU 15 HG2 GLU 661 4.157 -25.877 -1.565 145 HG3 GLU 15 HG3 GLU 661 5.373 -25.649 -2.811 146 H GLU 16 H GLU 662 7.671 -24.898 -2.732 147 HA GLU 16 HA GLU 662 7.868 -23.970 -5.456 148 HB2 GLU 16 HB2 GLU 662 10.010 -25.666 -4.591 149 HB3 GLU 16 HB3 GLU 662 9.935 -24.565 -5.919 150 HG2 GLU 16 HG2 GLU 662 10.239 -22.626 -4.694 151 HG3 GLU 16 HG3 GLU 662 9.935 -23.422 -3.148 152 H ASN 17 H ASN 663 6.904 -25.060 -6.400 153 HA ASN 17 HA ASN 663 6.026 -27.878 -6.389 154 HB2 ASN 17 HB2 ASN 663 5.653 -25.649 -8.374 155 HB3 ASN 17 HB3 ASN 663 5.371 -27.292 -8.860 156 HD21 ASN 17 HD21 ASN 663 2.051 -26.460 -8.024 157 HD22 ASN 17 HD22 ASN 663 3.169 -26.526 -9.344 158 H ASP 18 H ASP 664 6.483 -29.188 -8.470 159 HA ASP 18 HA ASP 664 9.214 -29.744 -8.979 160 HB2 ASP 18 HB2 ASP 664 6.734 -30.230 -10.681 161 HB3 ASP 18 HB3 ASP 664 8.304 -30.909 -10.988 162 H PHE 19 H PHE 665 7.020 -27.564 -10.714 163 HA PHE 19 HA PHE 665 9.307 -26.489 -12.228 164 HB2 PHE 19 HB2 PHE 665 7.705 -27.692 -13.781 165 HB3 PHE 19 HB3 PHE 665 6.402 -26.749 -13.113 166 HD1 PHE 19 HD1 PHE 665 5.631 -25.330 -14.769 167 HD2 PHE 19 HD2 PHE 665 9.893 -25.931 -14.314 168 HE1 PHE 19 HE1 PHE 665 6.087 -23.710 -16.596 169 HE2 PHE 19 HE2 PHE 665 10.315 -24.258 -16.079 170 HZ PHE 19 HZ PHE 665 8.403 -23.245 -17.260 171 H MET 20 H MET 666 9.793 -24.349 -12.135 172 HA MET 20 HA MET 666 7.661 -22.491 -11.469 173 HB2 MET 20 HB2 MET 666 10.335 -22.124 -10.104 174 HB3 MET 20 HB3 MET 666 8.968 -21.143 -9.862 175 HG2 MET 20 HG2 MET 666 7.871 -23.461 -9.190 176 HG3 MET 20 HG3 MET 666 9.540 -24.000 -9.031 177 HE1 MET 20 HE1 MET 666 6.788 -21.832 -7.898 178 HE2 MET 20 HE2 MET 666 7.208 -21.436 -6.217 179 HE3 MET 20 HE3 MET 666 7.817 -20.425 -7.577 180 H ILE 21 H ILE 667 7.973 -20.343 -12.230 181 HA ILE 21 HA ILE 667 10.094 -19.965 -14.281 182 HB ILE 21 HB ILE 667 7.314 -18.860 -14.627 183 HG12 ILE 21 HG12 ILE 667 8.136 -21.178 -16.362 184 HG13 ILE 21 HG13 ILE 667 7.569 -21.571 -14.739 185 HG21 ILE 21 HG21 ILE 667 7.646 -18.529 -17.018 186 HG22 ILE 21 HG22 ILE 667 9.088 -17.883 -16.231 187 HG23 ILE 21 HG23 ILE 667 9.108 -19.437 -17.084 188 HD11 ILE 21 HD11 ILE 667 5.725 -21.583 -16.143 189 HD12 ILE 21 HD12 ILE 667 5.590 -20.149 -15.074 190 HD13 ILE 21 HD13 ILE 667 6.084 -19.987 -16.785 191 H GLN 22 H GLN 668 10.551 -17.628 -14.769 192 HA GLN 22 HA GLN 668 9.918 -15.943 -12.342 193 HB2 GLN 22 HB2 GLN 668 12.312 -16.391 -12.364 194 HB3 GLN 22 HB3 GLN 668 12.372 -16.122 -14.123 195 HG2 GLN 22 HG2 GLN 668 12.129 -13.720 -13.894 196 HG3 GLN 22 HG3 GLN 668 11.478 -13.938 -12.285 197 HE21 GLN 22 HE21 GLN 668 13.028 -13.687 -10.500 198 HE22 GLN 22 HE22 GLN 668 14.747 -13.764 -10.787 199 H CYS 23 H CYS 669 8.915 -14.036 -12.602 200 HA CYS 23 HA CYS 669 7.848 -13.185 -15.155 201 HB2 CYS 23 HB2 CYS 669 6.849 -12.701 -12.916 202 HB3 CYS 23 HB3 CYS 669 8.262 -11.744 -12.497 203 H GLU 24 H GLU 670 8.684 -11.913 -16.661 204 HA GLU 24 HA GLU 670 11.497 -11.119 -16.449 205 HB2 GLU 24 HB2 GLU 670 11.220 -10.385 -18.683 206 HB3 GLU 24 HB3 GLU 670 10.453 -11.952 -18.539 207 HG2 GLU 24 HG2 GLU 670 8.573 -10.953 -19.483 208 HG3 GLU 24 HG3 GLU 670 8.348 -10.293 -17.917 209 H GLU 25 H GLU 671 8.557 -9.549 -15.549 210 HA GLU 25 HA GLU 671 9.605 -6.823 -15.925 211 HB2 GLU 25 HB2 GLU 671 7.303 -7.496 -16.420 212 HB3 GLU 25 HB3 GLU 671 7.025 -7.813 -14.766 213 HG2 GLU 25 HG2 GLU 671 6.088 -5.639 -15.604 214 HG3 GLU 25 HG3 GLU 671 7.018 -5.576 -14.120 215 H CYS 26 H CYS 672 8.346 -8.634 -13.117 216 HA CYS 26 HA CYS 672 9.934 -6.892 -11.379 217 HB2 CYS 26 HB2 CYS 672 8.460 -7.380 -9.706 218 HB3 CYS 26 HB3 CYS 672 7.505 -6.842 -11.099 219 H GLN 27 H GLN 673 10.386 -9.906 -12.579 220 HA GLN 27 HA GLN 673 11.759 -11.528 -12.130 221 HB2 GLN 27 HB2 GLN 673 12.708 -9.492 -10.275 222 HB3 GLN 27 HB3 GLN 673 12.923 -10.993 -9.579 223 HG2 GLN 27 HG2 GLN 673 14.853 -11.290 -10.639 224 HG3 GLN 27 HG3 GLN 673 14.061 -11.382 -12.180 225 HE21 GLN 27 HE21 GLN 673 13.433 -9.232 -13.295 226 HE22 GLN 27 HE22 GLN 673 14.638 -7.975 -13.164 227 H CYS 28 H CYS 674 9.055 -11.182 -10.298 228 HA CYS 28 HA CYS 674 9.655 -13.083 -8.287 229 HB2 CYS 28 HB2 CYS 674 7.196 -13.119 -7.960 230 HB3 CYS 28 HB3 CYS 674 7.920 -11.443 -8.082 231 HG CYS 28 HG CYS 674 5.566 -11.422 -9.245 232 H TRP 29 H TRP 675 8.932 -15.208 -7.959 233 HA TRP 29 HA TRP 675 8.860 -16.780 -10.428 234 HB2 TRP 29 HB2 TRP 675 9.854 -17.200 -7.643 235 HB3 TRP 29 HB3 TRP 675 9.594 -18.596 -8.708 236 HD1 TRP 29 HD1 TRP 675 11.759 -15.502 -8.262 237 HE1 TRP 29 HE1 TRP 675 13.983 -15.800 -9.583 238 HE3 TRP 29 HE3 TRP 675 10.609 -19.746 -10.812 239 HZ2 TRP 29 HZ2 TRP 675 15.074 -17.713 -11.339 240 HZ3 TRP 29 HZ3 TRP 675 12.292 -20.781 -12.368 241 HH2 TRP 29 HH2 TRP 675 14.539 -19.776 -12.611 242 H GLN 30 H GLN 676 7.390 -18.449 -10.873 243 HA GLN 30 HA GLN 676 5.252 -18.847 -8.823 244 HB2 GLN 30 HB2 GLN 676 4.778 -18.276 -11.790 245 HB3 GLN 30 HB3 GLN 676 3.534 -18.685 -10.606 246 HG2 GLN 30 HG2 GLN 676 3.323 -16.401 -10.781 247 HG3 GLN 30 HG3 GLN 676 4.212 -16.747 -9.289 248 HE21 GLN 30 HE21 GLN 676 5.248 -14.727 -9.209 249 HE22 GLN 30 HE22 GLN 676 6.482 -14.294 -10.419 250 H HIS 31 H HIS 677 3.883 -20.694 -9.287 251 HA HIS 31 HA HIS 677 5.403 -22.926 -10.460 252 HB2 HIS 31 HB2 HIS 677 2.411 -22.927 -9.857 253 HB3 HIS 31 HB3 HIS 677 3.540 -24.250 -9.892 254 HD2 HIS 31 HD2 HIS 677 5.640 -23.594 -7.908 255 HE1 HIS 31 HE1 HIS 677 2.767 -22.406 -4.979 256 HE2 HIS 31 HE2 HIS 677 5.154 -23.097 -5.338 257 H GLY 32 H GLY 678 5.523 -23.002 -12.679 258 HA2 GLY 32 HA2 GLY 678 4.020 -21.359 -14.315 259 HA3 GLY 32 HA3 GLY 678 4.740 -22.918 -14.883 260 H VAL 33 H VAL 679 3.078 -24.570 -13.297 261 HA VAL 33 HA VAL 679 0.917 -24.904 -15.168 262 HB VAL 33 HB VAL 679 2.126 -26.651 -14.028 263 HG11 VAL 33 HG11 VAL 679 2.139 -25.726 -11.691 264 HG12 VAL 33 HG12 VAL 679 0.387 -25.988 -11.588 265 HG13 VAL 33 HG13 VAL 679 1.487 -27.372 -11.754 266 HG21 VAL 33 HG21 VAL 679 -0.036 -27.110 -15.132 267 HG22 VAL 33 HG22 VAL 679 0.255 -28.189 -13.764 268 HG23 VAL 33 HG23 VAL 679 -0.886 -26.849 -13.590 269 H CYS 34 H CYS 680 1.146 -22.976 -12.311 270 HA CYS 34 HA CYS 680 -1.733 -22.601 -11.762 271 HB2 CYS 34 HB2 CYS 680 0.775 -21.207 -10.791 272 HB3 CYS 34 HB3 CYS 680 -0.830 -20.845 -10.310 273 H MET 35 H MET 681 0.856 -21.164 -13.634 274 HA MET 35 HA MET 681 -0.535 -18.624 -14.294 275 HB2 MET 35 HB2 MET 681 2.263 -19.675 -14.849 276 HB3 MET 35 HB3 MET 681 1.676 -18.084 -15.203 277 HG2 MET 35 HG2 MET 681 1.645 -19.037 -12.346 278 HG3 MET 35 HG3 MET 681 3.062 -18.318 -13.104 279 HE1 MET 35 HE1 MET 681 -0.811 -17.667 -12.460 280 HE2 MET 35 HE2 MET 681 0.079 -17.371 -10.944 281 HE3 MET 35 HE3 MET 681 -0.684 -16.020 -11.827 282 H GLY 36 H GLY 682 -0.283 -21.773 -15.658 283 HA2 GLY 36 HA2 GLY 682 -1.194 -22.600 -17.601 284 HA3 GLY 36 HA3 GLY 682 -1.420 -20.964 -18.238 285 H LEU 37 H LEU 683 1.648 -22.111 -16.945 286 HA LEU 37 HA LEU 683 2.683 -22.501 -19.691 287 HB2 LEU 37 HB2 LEU 683 4.393 -21.217 -17.647 288 HB3 LEU 37 HB3 LEU 683 4.607 -21.077 -19.349 289 HG LEU 37 HG LEU 683 2.141 -19.665 -18.434 290 HD11 LEU 37 HD11 LEU 683 4.715 -18.411 -17.458 291 HD12 LEU 37 HD12 LEU 683 3.035 -17.962 -17.171 292 HD13 LEU 37 HD13 LEU 683 3.695 -19.401 -16.388 293 HD21 LEU 37 HD21 LEU 683 3.343 -19.377 -20.577 294 HD22 LEU 37 HD22 LEU 683 3.181 -17.871 -19.641 295 HD23 LEU 37 HD23 LEU 683 4.756 -18.738 -19.652 296 H LEU 38 H LEU 684 4.657 -23.797 -19.736 297 HA LEU 38 HA LEU 684 5.177 -25.678 -17.573 298 HB2 LEU 38 HB2 LEU 684 3.845 -26.125 -20.249 299 HB3 LEU 38 HB3 LEU 684 5.235 -27.122 -19.938 300 HG LEU 38 HG LEU 684 2.938 -28.030 -19.366 301 HD11 LEU 38 HD11 LEU 684 5.211 -28.053 -17.338 302 HD12 LEU 38 HD12 LEU 684 3.984 -29.333 -17.535 303 HD13 LEU 38 HD13 LEU 684 5.151 -28.985 -18.838 304 HD21 LEU 38 HD21 LEU 684 1.991 -27.668 -17.217 305 HD22 LEU 38 HD22 LEU 684 3.245 -26.500 -16.776 306 HD23 LEU 38 HD23 LEU 684 2.086 -26.111 -18.070 307 H GLU 39 H GLU 685 7.297 -26.813 -18.128 308 HA GLU 39 HA GLU 685 9.281 -25.073 -19.173 309 HB2 GLU 39 HB2 GLU 685 10.655 -27.149 -19.320 310 HB3 GLU 39 HB3 GLU 685 10.014 -26.846 -17.713 311 HG2 GLU 39 HG2 GLU 685 9.891 -29.155 -18.036 312 HG3 GLU 39 HG3 GLU 685 8.255 -28.523 -18.006 313 H GLU 40 H GLU 686 7.130 -27.241 -20.903 314 HA GLU 40 HA GLU 686 8.542 -27.070 -23.424 315 HB2 GLU 40 HB2 GLU 686 6.354 -27.514 -24.513 316 HB3 GLU 40 HB3 GLU 686 6.943 -28.768 -23.416 317 HG2 GLU 40 HG2 GLU 686 5.318 -28.308 -21.818 318 HG3 GLU 40 HG3 GLU 686 4.925 -26.699 -22.490 319 H ASN 41 H ASN 687 6.151 -24.906 -21.925 320 HA ASN 41 HA ASN 687 6.049 -23.281 -24.428 321 HB2 ASN 41 HB2 ASN 687 4.386 -23.116 -21.929 322 HB3 ASN 41 HB3 ASN 687 4.081 -22.254 -23.370 323 HD21 ASN 41 HD21 ASN 687 1.675 -24.991 -23.216 324 HD22 ASN 41 HD22 ASN 687 2.069 -23.675 -22.159 325 H VAL 42 H VAL 688 8.056 -23.055 -21.783 326 HA VAL 42 HA VAL 688 7.710 -20.540 -20.663 327 HB VAL 42 HB VAL 688 10.366 -21.841 -21.250 328 HG11 VAL 42 HG11 VAL 688 11.265 -20.416 -19.475 329 HG12 VAL 42 HG12 VAL 688 10.728 -19.435 -20.813 330 HG13 VAL 42 HG13 VAL 688 9.704 -19.552 -19.368 331 HG21 VAL 42 HG21 VAL 688 10.257 -22.692 -19.105 332 HG22 VAL 42 HG22 VAL 688 8.717 -21.790 -18.765 333 HG23 VAL 42 HG23 VAL 688 8.796 -23.134 -19.928 334 HA PRO 43 HA PRO 689 8.516 -17.997 -24.314 335 HB2 PRO 43 HB2 PRO 689 7.331 -15.699 -23.392 336 HB3 PRO 43 HB3 PRO 689 6.344 -17.076 -23.932 337 HG2 PRO 43 HG2 PRO 689 7.130 -16.308 -21.136 338 HG3 PRO 43 HG3 PRO 689 5.508 -16.769 -21.734 339 HD2 PRO 43 HD2 PRO 689 7.189 -18.549 -20.481 340 HD3 PRO 43 HD3 PRO 689 6.100 -19.071 -21.736 341 H GLU 44 H GLU 690 9.586 -15.803 -24.551 342 HA GLU 44 HA GLU 690 12.053 -15.770 -22.897 343 HB2 GLU 44 HB2 GLU 690 11.122 -14.348 -25.395 344 HB3 GLU 44 HB3 GLU 690 12.288 -13.526 -24.385 345 HG2 GLU 44 HG2 GLU 690 12.697 -16.226 -25.743 346 HG3 GLU 44 HG3 GLU 690 13.438 -14.688 -26.144 347 H LYS 45 H LYS 691 9.054 -13.931 -23.340 348 HA LYS 45 HA LYS 691 9.559 -12.520 -20.781 349 HB2 LYS 45 HB2 LYS 691 8.404 -11.422 -23.368 350 HB3 LYS 45 HB3 LYS 691 8.189 -10.712 -21.812 351 HG2 LYS 45 HG2 LYS 691 10.677 -10.468 -21.548 352 HG3 LYS 45 HG3 LYS 691 10.891 -11.047 -23.213 353 HD2 LYS 45 HD2 LYS 691 9.495 -9.195 -24.070 354 HD3 LYS 45 HD3 LYS 691 9.234 -8.608 -22.429 355 HE2 LYS 45 HE2 LYS 691 11.877 -8.638 -23.961 356 HE3 LYS 45 HE3 LYS 691 10.875 -7.241 -23.574 357 HZ1 LYS 45 HZ1 LYS 691 11.257 -7.930 -21.130 358 HZ2 LYS 45 HZ2 LYS 691 12.473 -8.867 -21.686 359 HZ3 LYS 45 HZ3 LYS 691 12.534 -7.254 -21.925 360 H TYR 46 H TYR 692 8.463 -14.279 -19.867 361 HA TYR 46 HA TYR 692 5.500 -14.085 -20.088 362 HB2 TYR 46 HB2 TYR 692 5.842 -16.249 -19.371 363 HB3 TYR 46 HB3 TYR 692 7.388 -15.926 -18.652 364 HD1 TYR 46 HD1 TYR 692 3.707 -15.615 -18.096 365 HD2 TYR 46 HD2 TYR 692 7.673 -15.544 -16.402 366 HE1 TYR 46 HE1 TYR 692 2.736 -15.435 -15.770 367 HE2 TYR 46 HE2 TYR 692 6.707 -15.498 -14.118 368 HH TYR 46 HH TYR 692 4.819 -15.649 -12.938 369 H THR 47 H THR 693 4.332 -12.672 -19.186 370 HA THR 47 HA THR 693 5.249 -10.950 -16.947 371 HB THR 47 HB THR 693 2.887 -10.001 -17.486 372 HG1 THR 47 HG1 THR 693 2.217 -11.366 -19.106 373 HG21 THR 47 HG21 THR 693 3.881 -8.385 -19.018 374 HG22 THR 47 HG22 THR 693 4.968 -8.740 -17.660 375 HG23 THR 47 HG23 THR 693 5.280 -9.464 -19.260 376 H CYS 48 H CYS 694 4.489 -11.207 -14.930 377 HA CYS 48 HA CYS 694 2.636 -13.388 -14.348 378 HB2 CYS 48 HB2 CYS 694 3.497 -13.217 -12.175 379 HB3 CYS 48 HB3 CYS 694 4.861 -12.699 -13.047 380 H TYR 49 H TYR 695 0.612 -13.245 -13.342 381 HA TYR 49 HA TYR 695 -1.159 -11.265 -13.677 382 HB2 TYR 49 HB2 TYR 695 -2.366 -12.204 -11.986 383 HB3 TYR 49 HB3 TYR 695 -1.434 -13.538 -12.641 384 HD1 TYR 49 HD1 TYR 695 1.006 -13.887 -11.389 385 HD2 TYR 49 HD2 TYR 695 -2.526 -12.090 -9.630 386 HE1 TYR 49 HE1 TYR 695 1.882 -14.335 -9.148 387 HE2 TYR 49 HE2 TYR 695 -1.603 -12.531 -7.363 388 HH TYR 49 HH TYR 695 0.087 -13.563 -6.141 389 H VAL 50 H VAL 696 1.154 -11.043 -10.910 390 HA VAL 50 HA VAL 696 0.051 -8.692 -9.785 391 HB VAL 50 HB VAL 696 2.573 -10.227 -9.517 392 HG11 VAL 50 HG11 VAL 696 3.608 -8.070 -9.808 393 HG12 VAL 50 HG12 VAL 696 2.514 -7.348 -8.593 394 HG13 VAL 50 HG13 VAL 696 3.695 -8.590 -8.123 395 HG21 VAL 50 HG21 VAL 696 0.819 -8.910 -7.444 396 HG22 VAL 50 HG22 VAL 696 0.582 -10.549 -8.093 397 HG23 VAL 50 HG23 VAL 696 2.056 -10.171 -7.201 398 H CYS 51 H CYS 697 2.134 -9.093 -12.607 399 HA CYS 51 HA CYS 697 2.250 -6.194 -13.087 400 HB2 CYS 51 HB2 CYS 697 3.561 -8.470 -14.552 401 HB3 CYS 51 HB3 CYS 697 3.752 -6.764 -14.913 402 H GLN 52 H GLN 698 1.325 -9.198 -15.080 403 HA GLN 52 HA GLN 698 -0.143 -7.375 -16.861 404 HB2 GLN 52 HB2 GLN 698 -0.784 -9.488 -17.948 405 HB3 GLN 52 HB3 GLN 698 0.941 -9.244 -17.948 406 HG2 GLN 52 HG2 GLN 698 1.225 -11.093 -16.581 407 HG3 GLN 52 HG3 GLN 698 -0.303 -11.031 -15.828 408 HE21 GLN 52 HE21 GLN 698 -2.024 -12.468 -16.777 409 HE22 GLN 52 HE22 GLN 698 -1.669 -13.337 -18.258 410 H ASP 53 H ASP 699 -1.144 -9.602 -14.347 411 HA ASP 53 HA ASP 699 -3.114 -10.298 -13.498 412 HB2 ASP 53 HB2 ASP 699 -3.772 -7.953 -13.114 413 HB3 ASP 53 HB3 ASP 699 -4.319 -7.855 -14.770 414 H1 ALA 1 H1 ALA 1 12.581 -16.686 -19.858 415 H2 ALA 1 H2 ALA 1 13.433 -15.405 -19.272 416 H3 ALA 1 H3 ALA 1 12.025 -15.157 -20.031 417 HA ALA 1 HA ALA 1 11.671 -14.904 -17.646 418 HB1 ALA 1 HB1 ALA 1 10.215 -17.347 -18.785 419 HB2 ALA 1 HB2 ALA 1 9.652 -16.255 -17.525 420 HB3 ALA 1 HB3 ALA 1 9.824 -15.653 -19.155 421 H ARG 2 H ARG 2 14.289 -16.118 -17.467 422 HA ARG 2 HA ARG 2 15.697 -17.606 -16.673 423 HB2 ARG 2 HB2 ARG 2 14.863 -16.003 -14.797 424 HB3 ARG 2 HB3 ARG 2 14.293 -17.499 -14.024 425 HG2 ARG 2 HG2 ARG 2 16.465 -18.452 -14.024 426 HG3 ARG 2 HG3 ARG 2 17.127 -17.143 -15.009 427 HD2 ARG 2 HD2 ARG 2 16.023 -15.970 -12.588 428 HD3 ARG 2 HD3 ARG 2 16.963 -17.365 -12.146 429 HE ARG 2 HE ARG 2 18.935 -16.486 -13.024 430 HH11 ARG 2 HH11 ARG 2 16.381 -14.082 -13.386 431 HH12 ARG 2 HH12 ARG 2 17.539 -12.809 -13.680 432 HH21 ARG 2 HH21 ARG 2 20.314 -14.814 -13.388 433 HH22 ARG 2 HH22 ARG 2 19.700 -13.215 -13.672 434 H THR 3 H THR 3 12.816 -18.926 -15.125 435 HA THR 3 HA THR 3 12.211 -20.934 -14.436 436 HB THR 3 HB THR 3 12.431 -22.880 -16.132 437 HG1 THR 3 HG1 THR 3 13.983 -21.805 -17.524 438 HG21 THR 3 HG21 THR 3 10.433 -21.673 -15.545 439 HG22 THR 3 HG22 THR 3 10.959 -20.271 -16.526 440 HG23 THR 3 HG23 THR 3 10.497 -21.827 -17.258 441 H MLY 4 H MLY 4 12.357 -22.952 -13.649 442 HA MLY 4 HA MLY 4 14.977 -24.171 -13.204 443 HB2 MLY 4 HB2 MLY 4 15.090 -23.760 -10.876 444 HB3 MLY 4 HB3 MLY 4 14.659 -22.192 -11.565 445 HG2 MLY 4 HG2 MLY 4 12.236 -22.761 -11.032 446 HG3 MLY 4 HG3 MLY 4 12.853 -24.139 -10.102 447 HD2 MLY 4 HD2 MLY 4 14.459 -22.011 -9.222 448 HD3 MLY 4 HD3 MLY 4 12.893 -21.230 -9.463 449 HE2 MLY 4 HE2 MLY 4 11.824 -23.022 -8.016 450 HE3 MLY 4 HE3 MLY 4 13.392 -23.763 -7.811 451 HH11 MLY 4 HH11 MLY 4 15.214 -22.512 -6.668 452 HH12 MLY 4 HH12 MLY 4 14.904 -20.872 -7.291 453 HH13 MLY 4 HH13 MLY 4 14.765 -21.219 -5.562 454 HH21 MLY 4 HH21 MLY 4 11.244 -20.999 -6.679 455 HH22 MLY 4 HH22 MLY 4 12.490 -20.208 -5.726 456 HH23 MLY 4 HH23 MLY 4 12.520 -20.068 -7.488 457 HZ MLY 4 HZ MLY 4 12.903 -22.585 -5.934 458 H GLN 5 H GLN 5 14.782 -26.222 -12.075 459 HA GLN 5 HA GLN 5 12.082 -27.397 -11.790 460 HB2 GLN 5 HB2 GLN 5 14.264 -28.462 -13.623 461 HB3 GLN 5 HB3 GLN 5 12.949 -29.468 -13.009 462 HG2 GLN 5 HG2 GLN 5 11.281 -28.138 -14.135 463 HG3 GLN 5 HG3 GLN 5 12.492 -26.949 -14.655 464 HE21 GLN 5 HE21 GLN 5 11.885 -30.539 -14.915 465 HE22 GLN 5 HE22 GLN 5 12.445 -30.609 -16.579 466 H THR 6 H THR 6 11.959 -29.139 -10.376 467 HA THR 6 HA THR 6 14.382 -30.440 -9.398 468 HB THR 6 HB THR 6 14.323 -28.566 -7.831 469 HG1 THR 6 HG1 THR 6 15.079 -30.377 -6.920 470 HG21 THR 6 HG21 THR 6 11.837 -28.137 -7.782 471 HG22 THR 6 HG22 THR 6 11.648 -29.630 -6.827 472 HG23 THR 6 HG23 THR 6 12.593 -28.275 -6.187 473 H ALA 7 H ALA 7 14.061 -32.470 -8.558 474 HA ALA 7 HA ALA 7 11.331 -33.636 -8.738 475 HB1 ALA 7 HB1 ALA 7 14.069 -34.922 -8.366 476 HB2 ALA 7 HB2 ALA 7 12.533 -35.770 -8.627 477 HB3 ALA 7 HB3 ALA 7 13.202 -34.737 -9.908 478 H ARG 8 H ARG 8 13.453 -32.388 -6.300 479 HA ARG 8 HA ARG 8 11.954 -33.815 -4.114 480 HB2 ARG 8 HB2 ARG 8 14.984 -33.584 -4.393 481 HB3 ARG 8 HB3 ARG 8 14.138 -34.188 -2.964 482 HG2 ARG 8 HG2 ARG 8 13.151 -36.031 -4.342 483 HG3 ARG 8 HG3 ARG 8 14.083 -35.464 -5.732 484 HD2 ARG 8 HD2 ARG 8 15.292 -37.292 -4.770 485 HD3 ARG 8 HD3 ARG 8 16.193 -35.812 -4.467 486 HE ARG 8 HE ARG 8 15.843 -36.031 -2.179 487 HH11 ARG 8 HH11 ARG 8 13.788 -38.417 -3.737 488 HH12 ARG 8 HH12 ARG 8 13.415 -39.205 -2.226 489 HH21 ARG 8 HH21 ARG 8 15.323 -37.086 -0.303 490 HH22 ARG 8 HH22 ARG 8 14.269 -38.469 -0.342 491 H LYS 9 H LYS 9 13.174 -30.781 -5.144 492 HA LYS 9 HA LYS 9 13.640 -28.802 -4.159 493 HB2 LYS 9 HB2 LYS 9 11.148 -29.170 -3.580 494 HB3 LYS 9 HB3 LYS 9 11.705 -29.506 -1.939 495 HG2 LYS 9 HG2 LYS 9 12.861 -27.190 -2.014 496 HG3 LYS 9 HG3 LYS 9 12.085 -26.949 -3.573 497 HD2 LYS 9 HD2 LYS 9 10.849 -25.818 -1.827 498 HD3 LYS 9 HD3 LYS 9 9.856 -27.119 -2.494 499 HE2 LYS 9 HE2 LYS 9 10.242 -28.532 -0.580 500 HE3 LYS 9 HE3 LYS 9 11.539 -27.490 0.023 501 HZ1 LYS 9 HZ1 LYS 9 9.331 -27.191 1.166 502 HZ2 LYS 9 HZ2 LYS 9 9.940 -25.805 0.562 503 HZ3 LYS 9 HZ3 LYS 9 8.716 -26.552 -0.222 504 H SER 10 H SER 10 15.510 -30.696 -3.700 505 HA SER 10 HA SER 10 16.334 -30.875 -0.919 506 HB2 SER 10 HB2 SER 10 18.355 -31.959 -1.901 507 HB3 SER 10 HB3 SER 10 16.828 -32.682 -2.412 508 HG SER 10 HG SER 10 18.578 -31.008 -3.914 509 H THR 11 H THR 11 18.373 -30.176 -0.113 510 HA THR 11 HA THR 11 19.799 -28.609 0.628 511 HB THR 11 HB THR 11 20.315 -27.963 -2.277 512 HG1 THR 11 HG1 THR 11 21.789 -29.650 -2.131 513 HG21 THR 11 HG21 THR 11 22.078 -27.795 0.219 514 HG22 THR 11 HG22 THR 11 22.617 -27.509 -1.453 515 HG23 THR 11 HG23 THR 11 21.458 -26.410 -0.700 516 HN1 NH2 12 H01 THR 11 19.294 -26.276 -1.923 517 HN2 NH2 12 H02 THR 11 18.426 -25.159 -0.895 Start of MODEL 17 1 H1 GLY -3 H1 GLY -3 12.832 5.202 -2.949 2 H2 GLY -3 H2 GLY -3 12.813 4.056 -1.779 3 H3 GLY -3 H3 GLY -3 13.964 4.021 -2.945 4 HA2 GLY -3 HA2 GLY -3 11.065 3.611 -3.391 5 HA3 GLY -3 HA3 GLY -3 12.299 3.597 -4.661 6 H HIS -2 H HIS -2 10.364 1.509 -3.497 7 HA HIS -2 HA HIS -2 11.645 -0.394 -1.911 8 HB2 HIS -2 HB2 HIS -2 9.456 -0.861 -3.975 9 HB3 HIS -2 HB3 HIS -2 9.814 -1.880 -2.588 10 HD2 HIS -2 HD2 HIS -2 8.653 -1.297 -0.324 11 HE1 HIS -2 HE1 HIS -2 6.932 2.465 -1.380 12 HE2 HIS -2 HE2 HIS -2 7.042 0.659 0.413 13 H MET -1 H MET -1 12.187 0.007 -5.329 14 HA MET -1 HA MET -1 13.130 -2.613 -6.036 15 HB2 MET -1 HB2 MET -1 14.571 -1.213 -7.666 16 HB3 MET -1 HB3 MET -1 12.815 -1.207 -7.865 17 HG2 MET -1 HG2 MET -1 14.365 0.971 -6.404 18 HG3 MET -1 HG3 MET -1 14.134 0.981 -8.140 19 HE1 MET -1 HE1 MET -1 11.969 1.529 -9.418 20 HE2 MET -1 HE2 MET -1 11.133 0.127 -8.704 21 HE3 MET -1 HE3 MET -1 10.374 1.729 -8.658 22 H ASP 0 H ASP 646 14.776 -0.016 -4.282 23 HA ASP 0 HA ASP 646 16.970 0.330 -3.741 24 HB2 ASP 0 HB2 ASP 646 16.724 -2.658 -3.201 25 HB3 ASP 0 HB3 ASP 646 18.196 -1.780 -2.873 26 H ARG 1 H ARG 647 16.385 -0.491 -6.495 27 HA ARG 1 HA ARG 647 17.309 -0.990 -8.583 28 HB2 ARG 1 HB2 ARG 647 19.227 0.069 -9.150 29 HB3 ARG 1 HB3 ARG 647 18.665 0.943 -7.745 30 HG2 ARG 1 HG2 ARG 647 20.504 -1.166 -6.896 31 HG3 ARG 1 HG3 ARG 647 21.217 -0.331 -8.268 32 HD2 ARG 1 HD2 ARG 647 20.939 1.828 -7.156 33 HD3 ARG 1 HD3 ARG 647 20.122 1.072 -5.798 34 HE ARG 1 HE ARG 647 23.013 1.061 -6.436 35 HH11 ARG 1 HH11 ARG 647 20.573 -0.305 -4.314 36 HH12 ARG 1 HH12 ARG 647 21.738 -0.659 -3.060 37 HH21 ARG 1 HH21 ARG 647 24.443 0.519 -4.840 38 HH22 ARG 1 HH22 ARG 647 23.891 -0.250 -3.383 39 H TYR 2 H TYR 648 17.517 -3.001 -6.211 40 HA TYR 2 HA TYR 648 19.528 -4.914 -7.156 41 HB2 TYR 2 HB2 TYR 648 17.633 -4.585 -4.852 42 HB3 TYR 2 HB3 TYR 648 18.181 -6.215 -5.233 43 HD1 TYR 2 HD1 TYR 648 20.359 -3.171 -5.644 44 HD2 TYR 2 HD2 TYR 648 19.369 -6.568 -3.174 45 HE1 TYR 2 HE1 TYR 648 22.385 -2.778 -4.323 46 HE2 TYR 2 HE2 TYR 648 21.424 -6.168 -1.828 47 HH TYR 2 HH TYR 648 23.308 -4.862 -1.534 48 H ASP 3 H ASP 649 19.134 -7.082 -7.637 49 HA ASP 3 HA ASP 649 16.579 -7.700 -9.025 50 HB2 ASP 3 HB2 ASP 649 19.198 -9.219 -8.946 51 HB3 ASP 3 HB3 ASP 649 17.752 -9.709 -9.822 52 H PHE 4 H PHE 650 15.036 -8.508 -7.704 53 HA PHE 4 HA PHE 650 15.779 -10.385 -5.512 54 HB2 PHE 4 HB2 PHE 650 13.443 -8.451 -5.825 55 HB3 PHE 4 HB3 PHE 650 13.612 -9.615 -4.548 56 HD1 PHE 4 HD1 PHE 650 16.110 -9.519 -3.354 57 HD2 PHE 4 HD2 PHE 650 13.995 -6.245 -5.201 58 HE1 PHE 4 HE1 PHE 650 17.331 -7.912 -1.908 59 HE2 PHE 4 HE2 PHE 650 15.193 -4.651 -3.727 60 HZ PHE 4 HZ PHE 650 16.862 -5.474 -2.085 61 H GLU 5 H GLU 651 15.640 -12.301 -6.254 62 HA GLU 5 HA GLU 651 13.529 -13.555 -7.760 63 HB2 GLU 5 HB2 GLU 651 15.413 -14.952 -5.789 64 HB3 GLU 5 HB3 GLU 651 14.816 -15.584 -7.313 65 HG2 GLU 5 HG2 GLU 651 16.979 -13.494 -6.967 66 HG3 GLU 5 HG3 GLU 651 17.171 -15.179 -7.424 67 H VAL 6 H VAL 652 11.548 -13.319 -6.998 68 HA VAL 6 HA VAL 652 10.864 -13.969 -4.132 69 HB VAL 6 HB VAL 652 10.041 -11.731 -5.969 70 HG11 VAL 6 HG11 VAL 652 8.761 -12.481 -3.287 71 HG12 VAL 6 HG12 VAL 652 8.514 -10.931 -4.128 72 HG13 VAL 6 HG13 VAL 652 7.948 -12.423 -4.870 73 HG21 VAL 6 HG21 VAL 652 11.167 -11.648 -3.146 74 HG22 VAL 6 HG22 VAL 652 12.085 -11.379 -4.642 75 HG23 VAL 6 HG23 VAL 652 10.799 -10.259 -4.210 76 H VAL 7 H VAL 653 9.892 -15.871 -4.136 77 HA VAL 7 HA VAL 653 8.261 -16.708 -6.393 78 HB VAL 7 HB VAL 653 8.557 -17.942 -3.621 79 HG11 VAL 7 HG11 VAL 653 6.376 -18.668 -4.601 80 HG12 VAL 7 HG12 VAL 653 7.178 -18.972 -6.135 81 HG13 VAL 7 HG13 VAL 653 7.581 -19.964 -4.699 82 HG21 VAL 7 HG21 VAL 653 9.919 -19.596 -4.761 83 HG22 VAL 7 HG22 VAL 653 9.561 -18.878 -6.340 84 HG23 VAL 7 HG23 VAL 653 10.568 -17.983 -5.183 85 H ARG 8 H ARG 654 6.525 -15.529 -6.787 86 HA ARG 8 HA ARG 654 4.368 -15.231 -4.730 87 HB2 ARG 8 HB2 ARG 654 5.820 -13.087 -6.198 88 HB3 ARG 8 HB3 ARG 654 4.065 -13.026 -6.405 89 HG2 ARG 8 HG2 ARG 654 3.793 -12.971 -3.954 90 HG3 ARG 8 HG3 ARG 654 5.517 -13.207 -3.739 91 HD2 ARG 8 HD2 ARG 654 5.987 -10.935 -4.489 92 HD3 ARG 8 HD3 ARG 654 4.658 -10.988 -5.623 93 HE ARG 8 HE ARG 654 3.331 -9.890 -4.060 94 HH11 ARG 8 HH11 ARG 654 5.877 -11.426 -2.156 95 HH12 ARG 8 HH12 ARG 654 5.288 -10.716 -0.682 96 HH21 ARG 8 HH21 ARG 654 2.673 -9.055 -2.154 97 HH22 ARG 8 HH22 ARG 654 3.532 -9.404 -0.687 98 H CYS 9 H CYS 655 3.459 -16.974 -5.465 99 HA CYS 9 HA CYS 655 2.266 -16.989 -8.225 100 HB2 CYS 9 HB2 CYS 655 3.306 -19.078 -7.320 101 HB3 CYS 9 HB3 CYS 655 2.161 -19.059 -6.029 102 H ILE 10 H ILE 656 -0.007 -17.147 -8.545 103 HA ILE 10 HA ILE 656 -1.802 -15.639 -7.010 104 HB ILE 10 HB ILE 656 -3.610 -17.022 -8.104 105 HG12 ILE 10 HG12 ILE 656 -2.978 -18.413 -10.049 106 HG13 ILE 10 HG13 ILE 656 -1.308 -18.499 -9.480 107 HG21 ILE 10 HG21 ILE 656 -2.776 -14.988 -9.024 108 HG22 ILE 10 HG22 ILE 656 -1.362 -15.792 -9.714 109 HG23 ILE 10 HG23 ILE 656 -2.997 -16.123 -10.366 110 HD11 ILE 10 HD11 ILE 656 -2.930 -20.473 -9.093 111 HD12 ILE 10 HD12 ILE 656 -1.934 -19.978 -7.734 112 HD13 ILE 10 HD13 ILE 656 -3.654 -19.495 -7.808 113 H CYS 11 H CYS 657 -0.462 -18.555 -6.258 114 HA CYS 11 HA CYS 657 -2.521 -19.812 -4.653 115 HB2 CYS 11 HB2 CYS 657 0.375 -20.178 -5.366 116 HB3 CYS 11 HB3 CYS 657 -0.233 -21.024 -3.868 117 H GLU 12 H GLU 658 -0.405 -17.085 -4.196 118 HA GLU 12 HA GLU 658 0.644 -16.038 -2.559 119 HB2 GLU 12 HB2 GLU 658 -2.029 -16.661 -1.235 120 HB3 GLU 12 HB3 GLU 658 -0.879 -15.452 -0.610 121 HG2 GLU 12 HG2 GLU 658 -1.001 -14.278 -2.830 122 HG3 GLU 12 HG3 GLU 658 -2.291 -15.385 -3.308 123 H VAL 13 H VAL 659 1.574 -18.398 -2.826 124 HA VAL 13 HA VAL 659 2.639 -19.046 -0.160 125 HB VAL 13 HB VAL 659 0.915 -20.716 -1.196 126 HG11 VAL 13 HG11 VAL 659 1.778 -22.442 -2.620 127 HG12 VAL 13 HG12 VAL 659 1.933 -20.870 -3.426 128 HG13 VAL 13 HG13 VAL 659 3.358 -21.636 -2.737 129 HG21 VAL 13 HG21 VAL 659 2.143 -22.627 -0.180 130 HG22 VAL 13 HG22 VAL 659 3.603 -21.616 -0.078 131 HG23 VAL 13 HG23 VAL 659 2.148 -21.182 0.838 132 H GLN 14 H GLN 660 4.763 -19.023 -0.098 133 HA GLN 14 HA GLN 660 6.376 -18.609 -2.525 134 HB2 GLN 14 HB2 GLN 660 7.102 -18.744 0.385 135 HB3 GLN 14 HB3 GLN 660 8.283 -18.579 -0.932 136 HG2 GLN 14 HG2 GLN 660 7.757 -16.449 0.193 137 HG3 GLN 14 HG3 GLN 660 7.435 -16.422 -1.524 138 HE21 GLN 14 HE21 GLN 660 5.236 -16.063 -2.240 139 HE22 GLN 14 HE22 GLN 660 3.956 -15.725 -1.067 140 H GLU 15 H GLU 661 5.022 -21.352 -1.647 141 HA GLU 15 HA GLU 661 7.035 -23.321 -1.237 142 HB2 GLU 15 HB2 GLU 661 4.675 -23.641 -0.579 143 HB3 GLU 15 HB3 GLU 661 4.204 -23.600 -2.280 144 HG2 GLU 15 HG2 GLU 661 4.189 -25.859 -1.468 145 HG3 GLU 15 HG3 GLU 661 5.400 -25.671 -2.724 146 H GLU 16 H GLU 662 7.596 -24.984 -2.789 147 HA GLU 16 HA GLU 662 7.750 -24.043 -5.491 148 HB2 GLU 16 HB2 GLU 662 9.909 -25.780 -4.888 149 HB3 GLU 16 HB3 GLU 662 9.760 -24.484 -5.988 150 HG2 GLU 16 HG2 GLU 662 11.170 -23.426 -4.716 151 HG3 GLU 16 HG3 GLU 662 9.728 -22.845 -3.973 152 H ASN 17 H ASN 663 6.683 -25.106 -6.445 153 HA ASN 17 HA ASN 663 5.915 -27.905 -6.396 154 HB2 ASN 17 HB2 ASN 663 5.495 -25.759 -8.488 155 HB3 ASN 17 HB3 ASN 663 5.144 -27.434 -8.831 156 HD21 ASN 17 HD21 ASN 663 1.898 -26.365 -7.986 157 HD22 ASN 17 HD22 ASN 663 2.990 -26.533 -9.320 158 H ASP 18 H ASP 664 6.309 -29.233 -8.496 159 HA ASP 18 HA ASP 664 9.109 -29.718 -8.938 160 HB2 ASP 18 HB2 ASP 664 7.227 -31.395 -9.148 161 HB3 ASP 18 HB3 ASP 664 6.765 -30.612 -10.662 162 H PHE 19 H PHE 665 7.081 -27.321 -10.373 163 HA PHE 19 HA PHE 665 9.279 -26.528 -12.116 164 HB2 PHE 19 HB2 PHE 665 7.686 -27.711 -13.704 165 HB3 PHE 19 HB3 PHE 665 6.379 -26.771 -13.045 166 HD1 PHE 19 HD1 PHE 665 5.632 -25.366 -14.731 167 HD2 PHE 19 HD2 PHE 665 9.890 -25.962 -14.187 168 HE1 PHE 19 HE1 PHE 665 6.120 -23.759 -16.562 169 HE2 PHE 19 HE2 PHE 665 10.340 -24.294 -15.939 170 HZ PHE 19 HZ PHE 665 8.456 -23.291 -17.187 171 H MET 20 H MET 666 9.756 -24.375 -12.067 172 HA MET 20 HA MET 666 7.625 -22.510 -11.444 173 HB2 MET 20 HB2 MET 666 10.287 -22.147 -10.079 174 HB3 MET 20 HB3 MET 666 8.948 -21.136 -9.859 175 HG2 MET 20 HG2 MET 666 7.825 -23.419 -9.118 176 HG3 MET 20 HG3 MET 666 9.471 -23.990 -8.940 177 HE1 MET 20 HE1 MET 666 7.677 -20.416 -7.622 178 HE2 MET 20 HE2 MET 666 6.752 -21.909 -7.845 179 HE3 MET 20 HE3 MET 666 7.174 -21.407 -6.197 180 H ILE 21 H ILE 667 7.983 -20.344 -12.176 181 HA ILE 21 HA ILE 667 10.130 -19.973 -14.187 182 HB ILE 21 HB ILE 667 7.353 -18.896 -14.615 183 HG12 ILE 21 HG12 ILE 667 8.258 -21.190 -16.350 184 HG13 ILE 21 HG13 ILE 667 7.677 -21.598 -14.735 185 HG21 ILE 21 HG21 ILE 667 7.822 -18.668 -17.051 186 HG22 ILE 21 HG22 ILE 667 9.071 -17.836 -16.118 187 HG23 ILE 21 HG23 ILE 667 9.390 -19.404 -16.895 188 HD11 ILE 21 HD11 ILE 667 5.861 -21.650 -16.165 189 HD12 ILE 21 HD12 ILE 667 5.672 -20.242 -15.072 190 HD13 ILE 21 HD13 ILE 667 6.182 -20.030 -16.775 191 H GLN 22 H GLN 668 10.580 -17.674 -14.654 192 HA GLN 22 HA GLN 668 9.847 -15.907 -12.323 193 HB2 GLN 22 HB2 GLN 668 12.244 -16.331 -12.344 194 HB3 GLN 22 HB3 GLN 668 12.272 -16.070 -14.114 195 HG2 GLN 22 HG2 GLN 668 12.063 -13.673 -13.915 196 HG3 GLN 22 HG3 GLN 668 11.419 -13.875 -12.311 197 HE21 GLN 22 HE21 GLN 668 12.998 -13.603 -10.534 198 HE22 GLN 22 HE22 GLN 668 14.713 -13.782 -10.855 199 H CYS 23 H CYS 669 8.865 -14.005 -12.629 200 HA CYS 23 HA CYS 669 7.799 -13.163 -15.193 201 HB2 CYS 23 HB2 CYS 669 6.818 -12.657 -12.944 202 HB3 CYS 23 HB3 CYS 669 8.236 -11.714 -12.541 203 H GLU 24 H GLU 670 8.639 -11.902 -16.702 204 HA GLU 24 HA GLU 670 11.457 -11.134 -16.548 205 HB2 GLU 24 HB2 GLU 670 11.116 -10.344 -18.761 206 HB3 GLU 24 HB3 GLU 670 10.367 -11.914 -18.621 207 HG2 GLU 24 HG2 GLU 670 8.453 -10.906 -19.499 208 HG3 GLU 24 HG3 GLU 670 8.266 -10.284 -17.912 209 H GLU 25 H GLU 671 8.545 -9.527 -15.566 210 HA GLU 25 HA GLU 671 9.655 -6.826 -15.922 211 HB2 GLU 25 HB2 GLU 671 7.348 -7.437 -16.460 212 HB3 GLU 25 HB3 GLU 671 7.029 -7.776 -14.814 213 HG2 GLU 25 HG2 GLU 671 6.144 -5.578 -15.656 214 HG3 GLU 25 HG3 GLU 671 7.018 -5.550 -14.145 215 H CYS 26 H CYS 672 8.322 -8.590 -13.127 216 HA CYS 26 HA CYS 672 9.915 -6.865 -11.383 217 HB2 CYS 26 HB2 CYS 672 8.436 -7.387 -9.703 218 HB3 CYS 26 HB3 CYS 672 7.489 -6.807 -11.090 219 H GLN 27 H GLN 673 10.368 -9.875 -12.592 220 HA GLN 27 HA GLN 673 11.724 -11.489 -12.148 221 HB2 GLN 27 HB2 GLN 673 12.676 -9.535 -10.171 222 HB3 GLN 27 HB3 GLN 673 12.878 -11.070 -9.585 223 HG2 GLN 27 HG2 GLN 673 14.825 -11.210 -10.628 224 HG3 GLN 27 HG3 GLN 673 14.037 -11.370 -12.159 225 HE21 GLN 27 HE21 GLN 673 13.552 -9.366 -13.502 226 HE22 GLN 27 HE22 GLN 673 14.598 -7.996 -13.250 227 H CYS 28 H CYS 674 9.005 -11.148 -10.317 228 HA CYS 28 HA CYS 674 9.613 -13.033 -8.305 229 HB2 CYS 28 HB2 CYS 674 7.156 -13.112 -7.983 230 HB3 CYS 28 HB3 CYS 674 7.847 -11.426 -8.074 231 HG CYS 28 HG CYS 674 5.518 -11.404 -9.223 232 H TRP 29 H TRP 675 8.938 -15.171 -7.973 233 HA TRP 29 HA TRP 675 8.860 -16.764 -10.425 234 HB2 TRP 29 HB2 TRP 675 9.885 -17.148 -7.657 235 HB3 TRP 29 HB3 TRP 675 9.630 -18.548 -8.708 236 HD1 TRP 29 HD1 TRP 675 11.777 -15.437 -8.339 237 HE1 TRP 29 HE1 TRP 675 14.047 -15.780 -9.611 238 HE3 TRP 29 HE3 TRP 675 10.633 -19.727 -10.755 239 HZ2 TRP 29 HZ2 TRP 675 15.143 -17.783 -11.307 240 HZ3 TRP 29 HZ3 TRP 675 12.317 -20.825 -12.276 241 HH2 TRP 29 HH2 TRP 675 14.572 -19.886 -12.518 242 H GLN 30 H GLN 676 7.377 -18.455 -10.842 243 HA GLN 30 HA GLN 676 5.243 -18.839 -8.787 244 HB2 GLN 30 HB2 GLN 676 4.796 -18.290 -11.764 245 HB3 GLN 30 HB3 GLN 676 3.537 -18.689 -10.590 246 HG2 GLN 30 HG2 GLN 676 3.321 -16.421 -10.785 247 HG3 GLN 30 HG3 GLN 676 4.211 -16.747 -9.284 248 HE21 GLN 30 HE21 GLN 676 5.247 -14.731 -9.217 249 HE22 GLN 30 HE22 GLN 676 6.444 -14.269 -10.447 250 H HIS 31 H HIS 677 3.866 -20.702 -9.270 251 HA HIS 31 HA HIS 677 5.379 -22.931 -10.445 252 HB2 HIS 31 HB2 HIS 677 2.383 -22.926 -9.859 253 HB3 HIS 31 HB3 HIS 677 3.497 -24.256 -9.909 254 HD2 HIS 31 HD2 HIS 677 5.613 -23.654 -7.973 255 HE1 HIS 31 HE1 HIS 677 2.805 -22.420 -4.987 256 HE2 HIS 31 HE2 HIS 677 5.171 -23.143 -5.371 257 H GLY 32 H GLY 678 5.527 -23.000 -12.674 258 HA2 GLY 32 HA2 GLY 678 4.028 -21.352 -14.301 259 HA3 GLY 32 HA3 GLY 678 4.758 -22.898 -14.887 260 H VAL 33 H VAL 679 3.068 -24.551 -13.267 261 HA VAL 33 HA VAL 679 0.920 -24.894 -15.157 262 HB VAL 33 HB VAL 679 2.127 -26.638 -14.027 263 HG11 VAL 33 HG11 VAL 679 2.168 -25.724 -11.694 264 HG12 VAL 33 HG12 VAL 679 0.418 -25.966 -11.567 265 HG13 VAL 33 HG13 VAL 679 1.497 -27.364 -11.741 266 HG21 VAL 33 HG21 VAL 679 -0.886 -26.837 -13.561 267 HG22 VAL 33 HG22 VAL 679 -0.053 -27.097 -15.108 268 HG23 VAL 33 HG23 VAL 679 0.253 -28.179 -13.738 269 H CYS 34 H CYS 680 1.145 -22.943 -12.313 270 HA CYS 34 HA CYS 680 -1.732 -22.560 -11.765 271 HB2 CYS 34 HB2 CYS 680 0.773 -21.182 -10.780 272 HB3 CYS 34 HB3 CYS 680 -0.833 -20.802 -10.317 273 H MET 35 H MET 681 0.861 -21.173 -13.659 274 HA MET 35 HA MET 681 -0.507 -18.619 -14.324 275 HB2 MET 35 HB2 MET 681 2.286 -19.688 -14.859 276 HB3 MET 35 HB3 MET 681 1.719 -18.090 -15.211 277 HG2 MET 35 HG2 MET 681 1.691 -19.066 -12.362 278 HG3 MET 35 HG3 MET 681 3.100 -18.337 -13.117 279 HE1 MET 35 HE1 MET 681 0.123 -17.436 -10.931 280 HE2 MET 35 HE2 MET 681 -0.631 -16.061 -11.783 281 HE3 MET 35 HE3 MET 681 -0.770 -17.689 -12.454 282 H GLY 36 H GLY 682 -0.264 -21.772 -15.693 283 HA2 GLY 36 HA2 GLY 682 -1.141 -22.590 -17.655 284 HA3 GLY 36 HA3 GLY 682 -1.360 -20.951 -18.284 285 H LEU 37 H LEU 683 1.675 -22.120 -16.954 286 HA LEU 37 HA LEU 683 2.748 -22.510 -19.679 287 HB2 LEU 37 HB2 LEU 683 4.460 -21.259 -17.613 288 HB3 LEU 37 HB3 LEU 683 4.690 -21.120 -19.313 289 HG LEU 37 HG LEU 683 2.236 -19.674 -18.446 290 HD11 LEU 37 HD11 LEU 683 4.808 -18.452 -17.415 291 HD12 LEU 37 HD12 LEU 683 3.126 -17.991 -17.147 292 HD13 LEU 37 HD13 LEU 683 3.767 -19.435 -16.364 293 HD21 LEU 37 HD21 LEU 683 3.352 -17.907 -19.626 294 HD22 LEU 37 HD22 LEU 683 4.904 -18.811 -19.600 295 HD23 LEU 37 HD23 LEU 683 3.490 -19.416 -20.555 296 H LEU 38 H LEU 684 4.727 -23.800 -19.700 297 HA LEU 38 HA LEU 684 5.233 -25.700 -17.550 298 HB2 LEU 38 HB2 LEU 684 3.931 -26.149 -20.238 299 HB3 LEU 38 HB3 LEU 684 5.312 -27.144 -19.904 300 HG LEU 38 HG LEU 684 2.990 -28.038 -19.361 301 HD11 LEU 38 HD11 LEU 684 4.017 -29.376 -17.542 302 HD12 LEU 38 HD12 LEU 684 5.189 -29.028 -18.844 303 HD13 LEU 38 HD13 LEU 684 5.261 -28.112 -17.333 304 HD21 LEU 38 HD21 LEU 684 2.156 -26.131 -18.040 305 HD22 LEU 38 HD22 LEU 684 2.050 -27.695 -17.206 306 HD23 LEU 38 HD23 LEU 684 3.317 -26.545 -16.751 307 H GLU 39 H GLU 685 7.351 -26.810 -18.070 308 HA GLU 39 HA GLU 685 9.345 -25.069 -19.103 309 HB2 GLU 39 HB2 GLU 685 10.728 -27.141 -19.212 310 HB3 GLU 39 HB3 GLU 685 10.046 -26.843 -17.618 311 HG2 GLU 39 HG2 GLU 685 9.941 -29.147 -17.947 312 HG3 GLU 39 HG3 GLU 685 8.307 -28.515 -17.938 313 H GLU 40 H GLU 686 7.230 -27.262 -20.840 314 HA GLU 40 HA GLU 686 8.677 -27.093 -23.340 315 HB2 GLU 40 HB2 GLU 686 6.495 -27.542 -24.465 316 HB3 GLU 40 HB3 GLU 686 7.074 -28.794 -23.358 317 HG2 GLU 40 HG2 GLU 686 5.430 -28.331 -21.778 318 HG3 GLU 40 HG3 GLU 686 5.052 -26.725 -22.455 319 H ASN 41 H ASN 687 6.275 -24.922 -21.880 320 HA ASN 41 HA ASN 687 6.184 -23.319 -24.391 321 HB2 ASN 41 HB2 ASN 687 4.507 -23.139 -21.906 322 HB3 ASN 41 HB3 ASN 687 4.212 -22.284 -23.348 323 HD21 ASN 41 HD21 ASN 687 1.798 -25.015 -23.203 324 HD22 ASN 41 HD22 ASN 687 2.194 -23.707 -22.139 325 H VAL 42 H VAL 688 8.165 -23.059 -21.715 326 HA VAL 42 HA VAL 688 7.785 -20.537 -20.600 327 HB VAL 42 HB VAL 688 10.442 -21.837 -21.163 328 HG11 VAL 42 HG11 VAL 688 10.764 -19.384 -20.768 329 HG12 VAL 42 HG12 VAL 688 9.824 -19.527 -19.274 330 HG13 VAL 42 HG13 VAL 688 11.386 -20.378 -19.490 331 HG21 VAL 42 HG21 VAL 688 8.803 -23.053 -19.772 332 HG22 VAL 42 HG22 VAL 688 10.348 -22.689 -19.069 333 HG23 VAL 42 HG23 VAL 688 8.896 -21.707 -18.621 334 HA PRO 43 HA PRO 689 8.563 -18.034 -24.273 335 HB2 PRO 43 HB2 PRO 689 7.296 -15.757 -23.419 336 HB3 PRO 43 HB3 PRO 689 6.363 -17.198 -23.915 337 HG2 PRO 43 HG2 PRO 689 7.110 -16.299 -21.149 338 HG3 PRO 43 HG3 PRO 689 5.508 -16.823 -21.740 339 HD2 PRO 43 HD2 PRO 689 7.246 -18.531 -20.428 340 HD3 PRO 43 HD3 PRO 689 6.175 -19.106 -21.670 341 H GLU 44 H GLU 690 9.561 -15.829 -24.595 342 HA GLU 44 HA GLU 690 12.003 -15.646 -22.936 343 HB2 GLU 44 HB2 GLU 690 11.082 -14.507 -25.559 344 HB3 GLU 44 HB3 GLU 690 12.157 -13.486 -24.600 345 HG2 GLU 44 HG2 GLU 690 13.863 -15.181 -24.512 346 HG3 GLU 44 HG3 GLU 690 12.836 -16.382 -25.277 347 H LYS 45 H LYS 691 8.943 -13.926 -23.398 348 HA LYS 45 HA LYS 691 9.464 -12.455 -20.877 349 HB2 LYS 45 HB2 LYS 691 8.255 -11.404 -23.451 350 HB3 LYS 45 HB3 LYS 691 8.059 -10.669 -21.899 351 HG2 LYS 45 HG2 LYS 691 10.548 -10.397 -21.682 352 HG3 LYS 45 HG3 LYS 691 10.753 -11.007 -23.317 353 HD2 LYS 45 HD2 LYS 691 9.112 -8.508 -22.642 354 HD3 LYS 45 HD3 LYS 691 10.832 -8.506 -22.966 355 HE2 LYS 45 HE2 LYS 691 10.055 -7.930 -25.018 356 HE3 LYS 45 HE3 LYS 691 10.279 -9.666 -25.226 357 HZ1 LYS 45 HZ1 LYS 691 7.844 -9.927 -24.915 358 HZ2 LYS 45 HZ2 LYS 691 7.669 -8.319 -24.639 359 HZ3 LYS 45 HZ3 LYS 691 8.130 -8.858 -26.103 360 H TYR 46 H TYR 692 8.404 -14.228 -19.941 361 HA TYR 46 HA TYR 692 5.436 -14.072 -20.116 362 HB2 TYR 46 HB2 TYR 692 5.807 -16.233 -19.392 363 HB3 TYR 46 HB3 TYR 692 7.363 -15.879 -18.695 364 HD1 TYR 46 HD1 TYR 692 3.687 -15.594 -18.123 365 HD2 TYR 46 HD2 TYR 692 7.655 -15.561 -16.456 366 HE1 TYR 46 HE1 TYR 692 2.724 -15.404 -15.792 367 HE2 TYR 46 HE2 TYR 692 6.695 -15.528 -14.153 368 HH TYR 46 HH TYR 692 4.808 -15.636 -12.968 369 H THR 47 H THR 693 4.294 -12.634 -19.228 370 HA THR 47 HA THR 693 5.216 -10.922 -16.987 371 HB THR 47 HB THR 693 2.851 -9.970 -17.507 372 HG1 THR 47 HG1 THR 693 2.172 -11.317 -19.135 373 HG21 THR 47 HG21 THR 693 4.938 -8.704 -17.691 374 HG22 THR 47 HG22 THR 693 5.227 -9.415 -19.302 375 HG23 THR 47 HG23 THR 693 3.836 -8.336 -19.032 376 H CYS 48 H CYS 694 4.456 -11.173 -14.967 377 HA CYS 48 HA CYS 694 2.611 -13.364 -14.377 378 HB2 CYS 48 HB2 CYS 694 3.478 -13.178 -12.205 379 HB3 CYS 48 HB3 CYS 694 4.840 -12.664 -13.080 380 H TYR 49 H TYR 695 0.583 -13.218 -13.376 381 HA TYR 49 HA TYR 695 -1.190 -11.238 -13.697 382 HB2 TYR 49 HB2 TYR 695 -2.379 -12.182 -11.995 383 HB3 TYR 49 HB3 TYR 695 -1.456 -13.514 -12.665 384 HD1 TYR 49 HD1 TYR 695 0.985 -13.888 -11.435 385 HD2 TYR 49 HD2 TYR 695 -2.497 -12.039 -9.647 386 HE1 TYR 49 HE1 TYR 695 1.903 -14.305 -9.188 387 HE2 TYR 49 HE2 TYR 695 -1.549 -12.462 -7.387 388 HH TYR 49 HH TYR 695 0.260 -13.238 -6.182 389 H VAL 50 H VAL 696 1.131 -11.029 -10.934 390 HA VAL 50 HA VAL 696 0.054 -8.665 -9.806 391 HB VAL 50 HB VAL 696 2.562 -10.224 -9.551 392 HG11 VAL 50 HG11 VAL 696 3.618 -8.074 -9.852 393 HG12 VAL 50 HG12 VAL 696 2.536 -7.343 -8.631 394 HG13 VAL 50 HG13 VAL 696 3.708 -8.596 -8.164 395 HG21 VAL 50 HG21 VAL 696 2.066 -10.176 -7.236 396 HG22 VAL 50 HG22 VAL 696 0.853 -8.882 -7.457 397 HG23 VAL 50 HG23 VAL 696 0.572 -10.509 -8.115 398 H CYS 51 H CYS 697 2.108 -9.067 -12.647 399 HA CYS 51 HA CYS 697 2.236 -6.162 -13.106 400 HB2 CYS 51 HB2 CYS 697 3.542 -8.433 -14.591 401 HB3 CYS 51 HB3 CYS 697 3.731 -6.728 -14.938 402 H GLN 52 H GLN 698 1.303 -9.161 -15.107 403 HA GLN 52 HA GLN 698 -0.171 -7.335 -16.877 404 HB2 GLN 52 HB2 GLN 698 -0.814 -9.449 -17.969 405 HB3 GLN 52 HB3 GLN 698 0.914 -9.202 -17.969 406 HG2 GLN 52 HG2 GLN 698 1.192 -11.063 -16.611 407 HG3 GLN 52 HG3 GLN 698 -0.330 -10.997 -15.849 408 HE21 GLN 52 HE21 GLN 698 -2.066 -12.423 -16.798 409 HE22 GLN 52 HE22 GLN 698 -1.723 -13.280 -18.287 410 H ASP 53 H ASP 699 -1.175 -9.571 -14.369 411 HA ASP 53 HA ASP 699 -3.150 -10.258 -13.516 412 HB2 ASP 53 HB2 ASP 699 -3.803 -7.902 -13.150 413 HB3 ASP 53 HB3 ASP 699 -4.352 -7.823 -14.807 414 H1 ALA 1 H1 ALA 1 11.869 -14.552 -19.991 415 H2 ALA 1 H2 ALA 1 12.400 -16.087 -20.232 416 H3 ALA 1 H3 ALA 1 13.328 -15.008 -19.417 417 HA ALA 1 HA ALA 1 11.660 -14.884 -17.617 418 HB1 ALA 1 HB1 ALA 1 9.816 -16.519 -17.565 419 HB2 ALA 1 HB2 ALA 1 9.667 -15.483 -18.979 420 HB3 ALA 1 HB3 ALA 1 10.246 -17.155 -19.138 421 H ARG 2 H ARG 2 13.272 -15.719 -16.121 422 HA ARG 2 HA ARG 2 14.932 -18.001 -16.558 423 HB2 ARG 2 HB2 ARG 2 14.893 -15.961 -14.763 424 HB3 ARG 2 HB3 ARG 2 14.235 -17.223 -13.733 425 HG2 ARG 2 HG2 ARG 2 16.165 -18.559 -13.872 426 HG3 ARG 2 HG3 ARG 2 16.902 -17.517 -15.099 427 HD2 ARG 2 HD2 ARG 2 15.990 -16.237 -12.491 428 HD3 ARG 2 HD3 ARG 2 17.435 -17.251 -12.455 429 HE ARG 2 HE ARG 2 18.034 -15.699 -14.575 430 HH11 ARG 2 HH11 ARG 2 16.872 -14.684 -11.383 431 HH12 ARG 2 HH12 ARG 2 17.706 -13.180 -11.484 432 HH21 ARG 2 HH21 ARG 2 19.054 -13.726 -14.611 433 HH22 ARG 2 HH22 ARG 2 18.896 -12.642 -13.263 434 H THR 3 H THR 3 14.894 -20.140 -15.618 435 HA THR 3 HA THR 3 12.392 -21.047 -14.326 436 HB THR 3 HB THR 3 12.459 -23.104 -15.922 437 HG1 THR 3 HG1 THR 3 14.180 -22.492 -17.246 438 HG21 THR 3 HG21 THR 3 11.273 -20.462 -16.834 439 HG22 THR 3 HG22 THR 3 10.662 -22.102 -17.131 440 HG23 THR 3 HG23 THR 3 10.606 -21.473 -15.536 441 H MLY 4 H MLY 4 12.376 -23.054 -13.368 442 HA MLY 4 HA MLY 4 14.911 -24.421 -12.830 443 HB2 MLY 4 HB2 MLY 4 14.902 -23.915 -10.453 444 HB3 MLY 4 HB3 MLY 4 14.740 -22.379 -11.307 445 HG2 MLY 4 HG2 MLY 4 12.221 -22.669 -11.053 446 HG3 MLY 4 HG3 MLY 4 12.555 -23.952 -9.889 447 HD2 MLY 4 HD2 MLY 4 13.890 -21.235 -9.526 448 HD3 MLY 4 HD3 MLY 4 12.179 -21.406 -9.161 449 HE2 MLY 4 HE2 MLY 4 12.652 -23.263 -7.566 450 HE3 MLY 4 HE3 MLY 4 14.367 -23.156 -7.965 451 HH11 MLY 4 HH11 MLY 4 12.516 -20.094 -5.672 452 HH12 MLY 4 HH12 MLY 4 12.025 -20.203 -7.353 453 HH13 MLY 4 HH13 MLY 4 11.564 -21.482 -6.210 454 HH21 MLY 4 HH21 MLY 4 15.089 -22.677 -5.736 455 HH22 MLY 4 HH22 MLY 4 14.296 -21.438 -4.765 456 HH23 MLY 4 HH23 MLY 4 13.426 -22.925 -5.188 457 HZ MLY 4 HZ MLY 4 14.342 -20.861 -7.120 458 H GLN 5 H GLN 5 14.593 -26.429 -11.678 459 HA GLN 5 HA GLN 5 11.755 -27.317 -11.328 460 HB2 GLN 5 HB2 GLN 5 14.125 -28.963 -12.263 461 HB3 GLN 5 HB3 GLN 5 12.513 -29.598 -11.888 462 HG2 GLN 5 HG2 GLN 5 11.548 -28.123 -13.663 463 HG3 GLN 5 HG3 GLN 5 13.185 -27.611 -14.099 464 HE21 GLN 5 HE21 GLN 5 11.822 -28.630 -16.150 465 HE22 GLN 5 HE22 GLN 5 12.321 -30.285 -16.485 466 H THR 6 H THR 6 13.957 -26.122 -9.506 467 HA THR 6 HA THR 6 14.817 -26.320 -7.429 468 HB THR 6 HB THR 6 12.436 -28.081 -6.787 469 HG1 THR 6 HG1 THR 6 11.697 -26.208 -7.694 470 HG21 THR 6 HG21 THR 6 12.626 -26.992 -4.572 471 HG22 THR 6 HG22 THR 6 14.076 -27.935 -4.916 472 HG23 THR 6 HG23 THR 6 14.111 -26.164 -5.084 473 H ALA 7 H ALA 7 16.515 -27.406 -8.654 474 HA ALA 7 HA ALA 7 18.266 -28.798 -8.701 475 HB1 ALA 7 HB1 ALA 7 17.502 -29.231 -5.798 476 HB2 ALA 7 HB2 ALA 7 19.124 -29.385 -6.513 477 HB3 ALA 7 HB3 ALA 7 18.334 -27.800 -6.457 478 H ARG 8 H ARG 8 16.196 -30.194 -9.912 479 HA ARG 8 HA ARG 8 16.307 -33.017 -9.094 480 HB2 ARG 8 HB2 ARG 8 15.547 -31.752 -11.772 481 HB3 ARG 8 HB3 ARG 8 15.371 -33.454 -11.373 482 HG2 ARG 8 HG2 ARG 8 13.889 -31.137 -10.087 483 HG3 ARG 8 HG3 ARG 8 13.232 -32.338 -11.198 484 HD2 ARG 8 HD2 ARG 8 13.787 -34.118 -9.474 485 HD3 ARG 8 HD3 ARG 8 14.199 -32.798 -8.353 486 HE ARG 8 HE ARG 8 11.544 -32.508 -9.545 487 HH11 ARG 8 HH11 ARG 8 13.175 -34.071 -6.830 488 HH12 ARG 8 HH12 ARG 8 11.686 -34.167 -5.930 489 HH21 ARG 8 HH21 ARG 8 9.830 -32.669 -8.442 490 HH22 ARG 8 HH22 ARG 8 9.773 -33.385 -6.818 491 H LYS 9 H LYS 9 17.405 -34.702 -10.130 492 HA LYS 9 HA LYS 9 20.194 -34.164 -10.750 493 HB2 LYS 9 HB2 LYS 9 18.531 -36.719 -10.868 494 HB3 LYS 9 HB3 LYS 9 20.273 -36.647 -11.159 495 HG2 LYS 9 HG2 LYS 9 20.664 -35.786 -8.878 496 HG3 LYS 9 HG3 LYS 9 18.926 -35.773 -8.566 497 HD2 LYS 9 HD2 LYS 9 19.878 -37.715 -7.521 498 HD3 LYS 9 HD3 LYS 9 18.844 -38.238 -8.856 499 HE2 LYS 9 HE2 LYS 9 20.851 -38.554 -10.291 500 HE3 LYS 9 HE3 LYS 9 21.888 -37.988 -8.969 501 HZ1 LYS 9 HZ1 LYS 9 21.807 -40.417 -9.059 502 HZ2 LYS 9 HZ2 LYS 9 21.144 -39.915 -7.656 503 HZ3 LYS 9 HZ3 LYS 9 20.186 -40.433 -8.881 504 H SER 10 H SER 10 21.347 -34.513 -12.641 505 HA SER 10 HA SER 10 20.085 -33.795 -15.113 506 HB2 SER 10 HB2 SER 10 22.855 -34.960 -14.649 507 HB3 SER 10 HB3 SER 10 22.309 -34.076 -16.083 508 HG SER 10 HG SER 10 23.451 -32.708 -14.620 509 H THR 11 H THR 11 20.742 -36.928 -13.711 510 HA THR 11 HA THR 11 19.566 -38.337 -16.052 511 HB THR 11 HB THR 11 22.091 -39.239 -14.621 512 HG1 THR 11 HG1 THR 11 22.473 -37.649 -16.186 513 HG21 THR 11 HG21 THR 11 22.090 -41.056 -16.335 514 HG22 THR 11 HG22 THR 11 20.734 -41.185 -15.211 515 HG23 THR 11 HG23 THR 11 20.469 -40.542 -16.850 516 HN1 NH2 12 H01 THR 11 20.758 -38.895 -12.730 517 HN2 NH2 12 H02 THR 11 19.329 -39.775 -12.236 Start of MODEL 18 1 H1 GLY -3 H1 GLY -3 12.999 -3.476 4.055 2 H2 GLY -3 H2 GLY -3 12.682 -2.752 5.493 3 H3 GLY -3 H3 GLY -3 13.319 -4.258 5.460 4 HA2 GLY -3 HA2 GLY -3 10.966 -4.381 6.005 5 HA3 GLY -3 HA3 GLY -3 10.630 -3.506 4.495 6 H HIS -2 H HIS -2 9.260 -5.343 3.944 7 HA HIS -2 HA HIS -2 10.530 -7.948 3.428 8 HB2 HIS -2 HB2 HIS -2 7.709 -6.973 2.859 9 HB3 HIS -2 HB3 HIS -2 8.286 -8.629 2.690 10 HD2 HIS -2 HD2 HIS -2 6.641 -6.405 5.150 11 HE1 HIS -2 HE1 HIS -2 8.300 -9.533 7.537 12 HE2 HIS -2 HE2 HIS -2 6.687 -7.560 7.524 13 H MET -1 H MET -1 8.888 -5.533 1.313 14 HA MET -1 HA MET -1 9.863 -6.879 -1.117 15 HB2 MET -1 HB2 MET -1 8.720 -4.999 -2.252 16 HB3 MET -1 HB3 MET -1 7.671 -5.939 -1.173 17 HG2 MET -1 HG2 MET -1 7.881 -4.056 0.503 18 HG3 MET -1 HG3 MET -1 8.875 -3.187 -0.654 19 HE1 MET -1 HE1 MET -1 5.459 -5.283 -1.186 20 HE2 MET -1 HE2 MET -1 5.298 -4.364 0.330 21 HE3 MET -1 HE3 MET -1 4.322 -3.922 -1.085 22 H ASP 0 H ASP 646 10.720 -3.988 0.631 23 HA ASP 0 HA ASP 646 12.039 -2.236 0.271 24 HB2 ASP 0 HB2 ASP 646 13.909 -4.410 -0.734 25 HB3 ASP 0 HB3 ASP 646 14.374 -2.724 -0.541 26 H ARG 1 H ARG 647 10.495 -3.162 -2.082 27 HA ARG 1 HA ARG 647 9.898 -2.472 -4.237 28 HB2 ARG 1 HB2 ARG 647 9.728 -0.152 -4.508 29 HB3 ARG 1 HB3 ARG 647 9.581 -0.557 -2.788 30 HG2 ARG 1 HG2 ARG 647 10.651 1.563 -3.119 31 HG3 ARG 1 HG3 ARG 647 11.548 0.405 -2.154 32 HD2 ARG 1 HD2 ARG 647 13.068 1.639 -3.630 33 HD3 ARG 1 HD3 ARG 647 13.015 -0.070 -4.019 34 HE ARG 1 HE ARG 647 11.952 0.354 -6.053 35 HH11 ARG 1 HH11 ARG 647 11.454 1.596 -7.820 36 HH12 ARG 1 HH12 ARG 647 11.424 3.330 -7.694 37 HH21 ARG 1 HH21 ARG 647 12.266 3.420 -4.365 38 HH22 ARG 1 HH22 ARG 647 11.868 4.343 -5.792 39 H TYR 2 H TYR 648 12.797 -3.370 -3.725 40 HA TYR 2 HA TYR 648 14.008 -2.868 -6.350 41 HB2 TYR 2 HB2 TYR 648 14.632 -4.298 -3.790 42 HB3 TYR 2 HB3 TYR 648 15.393 -4.934 -5.247 43 HD1 TYR 2 HD1 TYR 648 15.493 -2.308 -2.731 44 HD2 TYR 2 HD2 TYR 648 16.843 -3.409 -6.680 45 HE1 TYR 2 HE1 TYR 648 17.266 -0.561 -2.616 46 HE2 TYR 2 HE2 TYR 648 18.609 -1.658 -6.564 47 HH TYR 2 HH TYR 648 19.577 0.013 -5.297 48 H ASP 3 H ASP 649 14.429 -4.521 -7.904 49 HA ASP 3 HA ASP 649 12.448 -6.721 -8.057 50 HB2 ASP 3 HB2 ASP 649 14.674 -5.923 -9.960 51 HB3 ASP 3 HB3 ASP 649 13.450 -7.156 -10.244 52 H PHE 4 H PHE 650 12.866 -8.420 -6.813 53 HA PHE 4 HA PHE 650 15.533 -9.750 -6.808 54 HB2 PHE 4 HB2 PHE 650 13.527 -9.250 -4.557 55 HB3 PHE 4 HB3 PHE 650 14.849 -10.372 -4.440 56 HD1 PHE 4 HD1 PHE 650 14.000 -7.696 -2.869 57 HD2 PHE 4 HD2 PHE 650 17.119 -8.727 -5.676 58 HE1 PHE 4 HE1 PHE 650 15.483 -5.971 -1.876 59 HE2 PHE 4 HE2 PHE 650 18.569 -6.977 -4.701 60 HZ PHE 4 HZ PHE 650 17.767 -5.607 -2.785 61 H GLU 5 H GLU 651 15.467 -11.994 -6.237 62 HA GLU 5 HA GLU 651 13.463 -13.463 -7.725 63 HB2 GLU 5 HB2 GLU 651 15.352 -14.862 -5.807 64 HB3 GLU 5 HB3 GLU 651 15.005 -15.288 -7.469 65 HG2 GLU 5 HG2 GLU 651 16.938 -13.176 -6.515 66 HG3 GLU 5 HG3 GLU 651 17.299 -14.735 -7.224 67 H VAL 6 H VAL 652 11.512 -13.329 -6.952 68 HA VAL 6 HA VAL 652 10.853 -14.015 -4.091 69 HB VAL 6 HB VAL 652 9.907 -11.763 -5.880 70 HG11 VAL 6 HG11 VAL 652 8.445 -11.058 -3.969 71 HG12 VAL 6 HG12 VAL 652 7.915 -12.575 -4.688 72 HG13 VAL 6 HG13 VAL 652 8.808 -12.592 -3.148 73 HG21 VAL 6 HG21 VAL 652 10.671 -10.287 -4.092 74 HG22 VAL 6 HG22 VAL 652 11.177 -11.685 -3.108 75 HG23 VAL 6 HG23 VAL 652 12.000 -11.306 -4.635 76 H VAL 7 H VAL 653 9.889 -15.926 -4.122 77 HA VAL 7 HA VAL 653 8.275 -16.742 -6.399 78 HB VAL 7 HB VAL 653 8.540 -17.974 -3.617 79 HG11 VAL 7 HG11 VAL 653 6.362 -18.691 -4.604 80 HG12 VAL 7 HG12 VAL 653 7.177 -19.018 -6.131 81 HG13 VAL 7 HG13 VAL 653 7.561 -19.991 -4.677 82 HG21 VAL 7 HG21 VAL 653 9.902 -19.637 -4.737 83 HG22 VAL 7 HG22 VAL 653 9.560 -18.930 -6.325 84 HG23 VAL 7 HG23 VAL 653 10.558 -18.028 -5.173 85 H ARG 8 H ARG 654 6.548 -15.525 -6.796 86 HA ARG 8 HA ARG 654 4.375 -15.268 -4.749 87 HB2 ARG 8 HB2 ARG 654 5.827 -13.105 -6.191 88 HB3 ARG 8 HB3 ARG 654 4.079 -13.049 -6.418 89 HG2 ARG 8 HG2 ARG 654 3.775 -13.014 -3.970 90 HG3 ARG 8 HG3 ARG 654 5.495 -13.243 -3.730 91 HD2 ARG 8 HD2 ARG 654 5.969 -10.963 -4.457 92 HD3 ARG 8 HD3 ARG 654 4.653 -11.009 -5.607 93 HE ARG 8 HE ARG 654 3.314 -9.925 -4.050 94 HH11 ARG 8 HH11 ARG 654 5.799 -11.508 -2.115 95 HH12 ARG 8 HH12 ARG 654 5.181 -10.814 -0.644 96 HH21 ARG 8 HH21 ARG 654 2.612 -9.107 -2.157 97 HH22 ARG 8 HH22 ARG 654 3.426 -9.485 -0.672 98 H CYS 9 H CYS 655 3.470 -17.012 -5.508 99 HA CYS 9 HA CYS 655 2.295 -17.010 -8.278 100 HB2 CYS 9 HB2 CYS 655 3.315 -19.115 -7.371 101 HB3 CYS 9 HB3 CYS 655 2.168 -19.080 -6.080 102 H ILE 10 H ILE 656 0.011 -17.169 -8.601 103 HA ILE 10 HA ILE 656 -1.779 -15.644 -7.080 104 HB ILE 10 HB ILE 656 -3.596 -17.026 -8.144 105 HG12 ILE 10 HG12 ILE 656 -3.001 -18.444 -10.078 106 HG13 ILE 10 HG13 ILE 656 -1.321 -18.522 -9.546 107 HG21 ILE 10 HG21 ILE 656 -1.351 -15.791 -9.740 108 HG22 ILE 10 HG22 ILE 656 -2.954 -16.164 -10.434 109 HG23 ILE 10 HG23 ILE 656 -2.800 -15.016 -9.090 110 HD11 ILE 10 HD11 ILE 656 -2.946 -20.493 -9.113 111 HD12 ILE 10 HD12 ILE 656 -1.912 -19.997 -7.783 112 HD13 ILE 10 HD13 ILE 656 -3.631 -19.500 -7.816 113 H CYS 11 H CYS 657 -0.456 -18.584 -6.317 114 HA CYS 11 HA CYS 657 -2.511 -19.793 -4.671 115 HB2 CYS 11 HB2 CYS 657 0.382 -20.180 -5.397 116 HB3 CYS 11 HB3 CYS 657 -0.218 -20.997 -3.882 117 H GLU 12 H GLU 658 -0.368 -17.088 -4.300 118 HA GLU 12 HA GLU 658 0.733 -16.011 -2.725 119 HB2 GLU 12 HB2 GLU 658 -1.979 -16.363 -1.412 120 HB3 GLU 12 HB3 GLU 658 -0.791 -15.145 -0.911 121 HG2 GLU 12 HG2 GLU 658 -2.164 -15.387 -3.620 122 HG3 GLU 12 HG3 GLU 658 -2.496 -14.172 -2.393 123 H VAL 13 H VAL 659 1.546 -18.311 -2.849 124 HA VAL 13 HA VAL 659 2.594 -18.954 -0.164 125 HB VAL 13 HB VAL 659 0.870 -20.620 -1.230 126 HG11 VAL 13 HG11 VAL 659 3.337 -21.578 -2.711 127 HG12 VAL 13 HG12 VAL 659 1.740 -22.348 -2.636 128 HG13 VAL 13 HG13 VAL 659 1.949 -20.779 -3.445 129 HG21 VAL 13 HG21 VAL 659 2.067 -22.533 -0.197 130 HG22 VAL 13 HG22 VAL 659 3.542 -21.542 -0.081 131 HG23 VAL 13 HG23 VAL 659 2.088 -21.089 0.823 132 H GLN 14 H GLN 660 4.733 -19.034 -0.096 133 HA GLN 14 HA GLN 660 6.356 -18.621 -2.520 134 HB2 GLN 14 HB2 GLN 660 7.062 -18.723 0.403 135 HB3 GLN 14 HB3 GLN 660 8.255 -18.595 -0.899 136 HG2 GLN 14 HG2 GLN 660 7.739 -16.446 0.192 137 HG3 GLN 14 HG3 GLN 660 7.440 -16.434 -1.531 138 HE21 GLN 14 HE21 GLN 660 5.284 -16.049 -2.272 139 HE22 GLN 14 HE22 GLN 660 3.973 -15.680 -1.136 140 H GLU 15 H GLU 661 4.977 -21.346 -1.631 141 HA GLU 15 HA GLU 661 6.984 -23.317 -1.199 142 HB2 GLU 15 HB2 GLU 661 4.621 -23.626 -0.559 143 HB3 GLU 15 HB3 GLU 661 4.162 -23.595 -2.262 144 HG2 GLU 15 HG2 GLU 661 4.156 -25.853 -1.422 145 HG3 GLU 15 HG3 GLU 661 5.358 -25.668 -2.684 146 H GLU 16 H GLU 662 7.549 -25.002 -2.753 147 HA GLU 16 HA GLU 662 7.732 -24.048 -5.449 148 HB2 GLU 16 HB2 GLU 662 9.868 -25.814 -4.822 149 HB3 GLU 16 HB3 GLU 662 9.735 -24.534 -5.944 150 HG2 GLU 16 HG2 GLU 662 11.102 -23.394 -4.727 151 HG3 GLU 16 HG3 GLU 662 9.696 -22.902 -3.861 152 H ASN 17 H ASN 663 6.665 -25.106 -6.415 153 HA ASN 17 HA ASN 663 5.859 -27.911 -6.350 154 HB2 ASN 17 HB2 ASN 663 5.464 -25.754 -8.443 155 HB3 ASN 17 HB3 ASN 663 5.102 -27.419 -8.799 156 HD21 ASN 17 HD21 ASN 663 1.856 -26.337 -7.965 157 HD22 ASN 17 HD22 ASN 663 2.948 -26.520 -9.294 158 H ASP 18 H ASP 664 6.271 -29.240 -8.453 159 HA ASP 18 HA ASP 664 8.973 -29.874 -8.908 160 HB2 ASP 18 HB2 ASP 664 6.528 -30.244 -10.690 161 HB3 ASP 18 HB3 ASP 664 8.079 -30.985 -10.962 162 H PHE 19 H PHE 665 6.922 -27.589 -10.669 163 HA PHE 19 HA PHE 665 9.275 -26.578 -12.128 164 HB2 PHE 19 HB2 PHE 665 7.721 -27.738 -13.752 165 HB3 PHE 19 HB3 PHE 665 6.395 -26.809 -13.107 166 HD1 PHE 19 HD1 PHE 665 5.664 -25.388 -14.776 167 HD2 PHE 19 HD2 PHE 665 9.909 -25.961 -14.190 168 HE1 PHE 19 HE1 PHE 665 6.158 -23.767 -16.588 169 HE2 PHE 19 HE2 PHE 665 10.376 -24.292 -15.931 170 HZ PHE 19 HZ PHE 665 8.495 -23.289 -17.194 171 H MET 20 H MET 666 9.754 -24.421 -12.089 172 HA MET 20 HA MET 666 7.632 -22.546 -11.454 173 HB2 MET 20 HB2 MET 666 10.307 -22.192 -10.116 174 HB3 MET 20 HB3 MET 666 8.968 -21.183 -9.878 175 HG2 MET 20 HG2 MET 666 7.857 -23.474 -9.124 176 HG3 MET 20 HG3 MET 666 9.505 -24.045 -8.985 177 HE1 MET 20 HE1 MET 666 7.277 -21.456 -6.167 178 HE2 MET 20 HE2 MET 666 7.768 -20.462 -7.592 179 HE3 MET 20 HE3 MET 666 6.812 -21.935 -7.809 180 H ILE 21 H ILE 667 7.994 -20.371 -12.189 181 HA ILE 21 HA ILE 667 10.150 -20.001 -14.200 182 HB ILE 21 HB ILE 667 7.373 -18.910 -14.616 183 HG12 ILE 21 HG12 ILE 667 8.274 -21.200 -16.355 184 HG13 ILE 21 HG13 ILE 667 7.695 -21.616 -14.744 185 HG21 ILE 21 HG21 ILE 667 9.074 -17.845 -16.118 186 HG22 ILE 21 HG22 ILE 667 9.409 -19.409 -16.897 187 HG23 ILE 21 HG23 ILE 667 7.831 -18.684 -17.048 188 HD11 ILE 21 HD11 ILE 667 5.877 -21.664 -16.157 189 HD12 ILE 21 HD12 ILE 667 5.699 -20.244 -15.077 190 HD13 ILE 21 HD13 ILE 667 6.201 -20.050 -16.786 191 H GLN 22 H GLN 668 10.601 -17.694 -14.665 192 HA GLN 22 HA GLN 668 9.897 -15.954 -12.309 193 HB2 GLN 22 HB2 GLN 668 12.303 -16.385 -12.351 194 HB3 GLN 22 HB3 GLN 668 12.312 -16.107 -14.116 195 HG2 GLN 22 HG2 GLN 668 12.136 -13.717 -13.877 196 HG3 GLN 22 HG3 GLN 668 11.475 -13.925 -12.277 197 HE21 GLN 22 HE21 GLN 668 13.032 -13.654 -10.483 198 HE22 GLN 22 HE22 GLN 668 14.748 -13.756 -10.768 199 H CYS 23 H CYS 669 8.918 -14.026 -12.605 200 HA CYS 23 HA CYS 669 7.832 -13.218 -15.168 201 HB2 CYS 23 HB2 CYS 669 6.842 -12.705 -12.932 202 HB3 CYS 23 HB3 CYS 669 8.258 -11.749 -12.528 203 H GLU 24 H GLU 670 8.633 -11.941 -16.689 204 HA GLU 24 HA GLU 670 11.450 -11.150 -16.540 205 HB2 GLU 24 HB2 GLU 670 11.142 -10.444 -18.769 206 HB3 GLU 24 HB3 GLU 670 10.325 -11.983 -18.621 207 HG2 GLU 24 HG2 GLU 670 8.458 -10.899 -19.533 208 HG3 GLU 24 HG3 GLU 670 8.291 -10.275 -17.943 209 H GLU 25 H GLU 671 8.534 -9.565 -15.571 210 HA GLU 25 HA GLU 671 9.608 -6.845 -15.970 211 HB2 GLU 25 HB2 GLU 671 7.294 -7.479 -16.450 212 HB3 GLU 25 HB3 GLU 671 7.019 -7.804 -14.796 213 HG2 GLU 25 HG2 GLU 671 6.105 -5.621 -15.641 214 HG3 GLU 25 HG3 GLU 671 7.009 -5.583 -14.144 215 H CYS 26 H CYS 672 8.338 -8.625 -13.150 216 HA CYS 26 HA CYS 672 9.926 -6.876 -11.424 217 HB2 CYS 26 HB2 CYS 672 8.447 -7.362 -9.750 218 HB3 CYS 26 HB3 CYS 672 7.493 -6.839 -11.153 219 H GLN 27 H GLN 673 10.375 -9.908 -12.603 220 HA GLN 27 HA GLN 673 11.751 -11.518 -12.146 221 HB2 GLN 27 HB2 GLN 673 12.712 -9.471 -10.307 222 HB3 GLN 27 HB3 GLN 673 12.930 -10.962 -9.599 223 HG2 GLN 27 HG2 GLN 673 14.852 -11.282 -10.658 224 HG3 GLN 27 HG3 GLN 673 14.051 -11.404 -12.189 225 HE21 GLN 27 HE21 GLN 673 13.439 -9.297 -13.373 226 HE22 GLN 27 HE22 GLN 673 14.639 -8.034 -13.269 227 H CYS 28 H CYS 674 9.055 -11.177 -10.308 228 HA CYS 28 HA CYS 674 9.673 -13.071 -8.280 229 HB2 CYS 28 HB2 CYS 674 7.217 -13.108 -7.951 230 HB3 CYS 28 HB3 CYS 674 7.945 -11.436 -8.067 231 HG CYS 28 HG CYS 674 5.587 -11.403 -9.209 232 H TRP 29 H TRP 675 8.957 -15.202 -7.951 233 HA TRP 29 HA TRP 675 8.896 -16.793 -10.409 234 HB2 TRP 29 HB2 TRP 675 9.900 -17.180 -7.630 235 HB3 TRP 29 HB3 TRP 675 9.627 -18.587 -8.677 236 HD1 TRP 29 HD1 TRP 675 11.832 -15.507 -8.284 237 HE1 TRP 29 HE1 TRP 675 14.035 -15.825 -9.604 238 HE3 TRP 29 HE3 TRP 675 10.628 -19.762 -10.768 239 HZ2 TRP 29 HZ2 TRP 675 15.111 -17.768 -11.353 240 HZ3 TRP 29 HZ3 TRP 675 12.294 -20.819 -12.333 241 HH2 TRP 29 HH2 TRP 675 14.541 -19.852 -12.602 242 H GLN 30 H GLN 676 7.415 -18.473 -10.850 243 HA GLN 30 HA GLN 676 5.267 -18.849 -8.804 244 HB2 GLN 30 HB2 GLN 676 4.828 -18.294 -11.780 245 HB3 GLN 30 HB3 GLN 676 3.569 -18.690 -10.613 246 HG2 GLN 30 HG2 GLN 676 3.369 -16.416 -10.804 247 HG3 GLN 30 HG3 GLN 676 4.249 -16.756 -9.299 248 HE21 GLN 30 HE21 GLN 676 5.271 -14.733 -9.225 249 HE22 GLN 30 HE22 GLN 676 6.502 -14.287 -10.425 250 H HIS 31 H HIS 677 3.883 -20.699 -9.288 251 HA HIS 31 HA HIS 677 5.384 -22.949 -10.446 252 HB2 HIS 31 HB2 HIS 677 2.388 -22.929 -9.869 253 HB3 HIS 31 HB3 HIS 677 3.504 -24.263 -9.903 254 HD2 HIS 31 HD2 HIS 677 5.617 -23.637 -7.950 255 HE1 HIS 31 HE1 HIS 677 2.785 -22.419 -4.984 256 HE2 HIS 31 HE2 HIS 677 5.165 -23.128 -5.361 257 H GLY 32 H GLY 678 5.540 -23.014 -12.665 258 HA2 GLY 32 HA2 GLY 678 4.059 -21.365 -14.307 259 HA3 GLY 32 HA3 GLY 678 4.787 -22.920 -14.878 260 H VAL 33 H VAL 679 3.098 -24.567 -13.265 261 HA VAL 33 HA VAL 679 0.964 -24.916 -15.167 262 HB VAL 33 HB VAL 679 2.168 -26.658 -14.031 263 HG11 VAL 33 HG11 VAL 679 0.429 -25.991 -11.588 264 HG12 VAL 33 HG12 VAL 679 1.517 -27.384 -11.751 265 HG13 VAL 33 HG13 VAL 679 2.185 -25.748 -11.692 266 HG21 VAL 33 HG21 VAL 679 -0.002 -27.120 -15.128 267 HG22 VAL 33 HG22 VAL 679 0.309 -28.204 -13.766 268 HG23 VAL 33 HG23 VAL 679 -0.842 -26.863 -13.579 269 H CYS 34 H CYS 680 1.172 -22.963 -12.328 270 HA CYS 34 HA CYS 680 -1.714 -22.598 -11.783 271 HB2 CYS 34 HB2 CYS 680 0.781 -21.209 -10.788 272 HB3 CYS 34 HB3 CYS 680 -0.832 -20.838 -10.332 273 H MET 35 H MET 681 0.903 -21.178 -13.640 274 HA MET 35 HA MET 681 -0.496 -18.646 -14.310 275 HB2 MET 35 HB2 MET 681 2.312 -19.684 -14.838 276 HB3 MET 35 HB3 MET 681 1.729 -18.093 -15.203 277 HG2 MET 35 HG2 MET 681 1.709 -19.042 -12.346 278 HG3 MET 35 HG3 MET 681 3.111 -18.296 -13.113 279 HE1 MET 35 HE1 MET 681 0.133 -17.396 -10.929 280 HE2 MET 35 HE2 MET 681 -0.680 -16.081 -11.818 281 HE3 MET 35 HE3 MET 681 -0.753 -17.742 -12.433 282 H GLY 36 H GLY 682 -0.234 -21.791 -15.677 283 HA2 GLY 36 HA2 GLY 682 -1.113 -22.621 -17.632 284 HA3 GLY 36 HA3 GLY 682 -1.351 -20.986 -18.260 285 H LEU 37 H LEU 683 1.701 -22.137 -16.947 286 HA LEU 37 HA LEU 683 2.765 -22.521 -19.679 287 HB2 LEU 37 HB2 LEU 683 4.479 -21.276 -17.616 288 HB3 LEU 37 HB3 LEU 683 4.700 -21.131 -19.316 289 HG LEU 37 HG LEU 683 2.251 -19.690 -18.430 290 HD11 LEU 37 HD11 LEU 683 3.126 -18.022 -17.117 291 HD12 LEU 37 HD12 LEU 683 3.784 -19.472 -16.350 292 HD13 LEU 37 HD13 LEU 683 4.815 -18.466 -17.391 293 HD21 LEU 37 HD21 LEU 683 3.345 -17.911 -19.605 294 HD22 LEU 37 HD22 LEU 683 4.906 -18.816 -19.587 295 HD23 LEU 37 HD23 LEU 683 3.497 -19.424 -20.541 296 H LEU 38 H LEU 684 4.750 -23.805 -19.708 297 HA LEU 38 HA LEU 684 5.275 -25.703 -17.574 298 HB2 LEU 38 HB2 LEU 684 3.960 -26.165 -20.258 299 HB3 LEU 38 HB3 LEU 684 5.348 -27.153 -19.928 300 HG LEU 38 HG LEU 684 3.035 -28.052 -19.372 301 HD11 LEU 38 HD11 LEU 684 5.247 -29.030 -18.868 302 HD12 LEU 38 HD12 LEU 684 5.320 -28.105 -17.362 303 HD13 LEU 38 HD13 LEU 684 4.092 -29.387 -17.560 304 HD21 LEU 38 HD21 LEU 684 2.204 -26.157 -18.048 305 HD22 LEU 38 HD22 LEU 684 2.112 -27.725 -17.214 306 HD23 LEU 38 HD23 LEU 684 3.375 -26.563 -16.771 307 H GLU 39 H GLU 685 7.402 -26.796 -18.099 308 HA GLU 39 HA GLU 685 9.374 -25.044 -19.142 309 HB2 GLU 39 HB2 GLU 685 10.766 -27.112 -19.259 310 HB3 GLU 39 HB3 GLU 685 10.094 -26.810 -17.667 311 HG2 GLU 39 HG2 GLU 685 9.987 -29.117 -17.974 312 HG3 GLU 39 HG3 GLU 685 8.348 -28.502 -17.993 313 H GLU 40 H GLU 686 7.268 -27.248 -20.882 314 HA GLU 40 HA GLU 686 8.701 -27.069 -23.389 315 HB2 GLU 40 HB2 GLU 686 6.518 -27.523 -24.497 316 HB3 GLU 40 HB3 GLU 686 7.106 -28.775 -23.400 317 HG2 GLU 40 HG2 GLU 686 5.466 -28.331 -21.811 318 HG3 GLU 40 HG3 GLU 686 5.073 -26.720 -22.477 319 H ASN 41 H ASN 687 6.296 -24.914 -21.908 320 HA ASN 41 HA ASN 687 6.183 -23.304 -24.415 321 HB2 ASN 41 HB2 ASN 687 4.524 -23.148 -21.915 322 HB3 ASN 41 HB3 ASN 687 4.209 -22.284 -23.348 323 HD21 ASN 41 HD21 ASN 687 1.813 -25.027 -23.192 324 HD22 ASN 41 HD22 ASN 687 2.212 -23.708 -22.141 325 H VAL 42 H VAL 688 8.175 -23.038 -21.737 326 HA VAL 42 HA VAL 688 7.774 -20.529 -20.617 327 HB VAL 42 HB VAL 688 10.435 -21.820 -21.190 328 HG11 VAL 42 HG11 VAL 688 9.826 -19.503 -19.306 329 HG12 VAL 42 HG12 VAL 688 11.395 -20.346 -19.531 330 HG13 VAL 42 HG13 VAL 688 10.757 -19.357 -20.807 331 HG21 VAL 42 HG21 VAL 688 8.780 -23.007 -19.776 332 HG22 VAL 42 HG22 VAL 688 10.343 -22.674 -19.098 333 HG23 VAL 42 HG23 VAL 688 8.919 -21.662 -18.624 334 HA PRO 43 HA PRO 689 8.586 -17.968 -24.258 335 HB2 PRO 43 HB2 PRO 689 7.243 -15.746 -23.418 336 HB3 PRO 43 HB3 PRO 689 6.352 -17.200 -23.930 337 HG2 PRO 43 HG2 PRO 689 7.058 -16.295 -21.157 338 HG3 PRO 43 HG3 PRO 689 5.462 -16.838 -21.751 339 HD2 PRO 43 HD2 PRO 689 7.226 -18.520 -20.428 340 HD3 PRO 43 HD3 PRO 689 6.168 -19.114 -21.663 341 H GLU 44 H GLU 690 9.618 -15.921 -24.622 342 HA GLU 44 HA GLU 690 11.978 -15.560 -22.967 343 HB2 GLU 44 HB2 GLU 690 10.834 -13.904 -25.284 344 HB3 GLU 44 HB3 GLU 690 12.416 -13.671 -24.558 345 HG2 GLU 44 HG2 GLU 690 12.812 -14.848 -26.542 346 HG3 GLU 44 HG3 GLU 690 13.046 -16.009 -25.236 347 H LYS 45 H LYS 691 8.868 -13.903 -23.429 348 HA LYS 45 HA LYS 691 9.354 -12.388 -20.930 349 HB2 LYS 45 HB2 LYS 691 8.108 -11.410 -23.518 350 HB3 LYS 45 HB3 LYS 691 7.870 -10.666 -21.979 351 HG2 LYS 45 HG2 LYS 691 10.257 -10.222 -21.706 352 HG3 LYS 45 HG3 LYS 691 10.625 -10.951 -23.280 353 HD2 LYS 45 HD2 LYS 691 9.232 -9.322 -24.453 354 HD3 LYS 45 HD3 LYS 691 8.735 -8.568 -22.941 355 HE2 LYS 45 HE2 LYS 691 11.644 -8.609 -23.930 356 HE3 LYS 45 HE3 LYS 691 10.501 -7.352 -24.333 357 HZ1 LYS 45 HZ1 LYS 691 10.953 -7.997 -21.463 358 HZ2 LYS 45 HZ2 LYS 691 11.917 -6.932 -22.278 359 HZ3 LYS 45 HZ3 LYS 691 10.316 -6.662 -22.114 360 H TYR 46 H TYR 692 8.358 -14.213 -19.993 361 HA TYR 46 HA TYR 692 5.378 -14.075 -20.104 362 HB2 TYR 46 HB2 TYR 692 5.771 -16.232 -19.403 363 HB3 TYR 46 HB3 TYR 692 7.343 -15.882 -18.732 364 HD1 TYR 46 HD1 TYR 692 3.682 -15.634 -18.102 365 HD2 TYR 46 HD2 TYR 692 7.667 -15.560 -16.479 366 HE1 TYR 46 HE1 TYR 692 2.740 -15.453 -15.760 367 HE2 TYR 46 HE2 TYR 692 6.738 -15.561 -14.171 368 HH TYR 46 HH TYR 692 4.861 -15.686 -12.956 369 H THR 47 H THR 693 4.259 -12.626 -19.179 370 HA THR 47 HA THR 693 5.258 -10.963 -16.937 371 HB THR 47 HB THR 693 2.951 -9.923 -17.358 372 HG1 THR 47 HG1 THR 693 2.403 -10.049 -19.643 373 HG21 THR 47 HG21 THR 693 5.162 -9.479 -19.366 374 HG22 THR 47 HG22 THR 693 3.825 -8.358 -18.950 375 HG23 THR 47 HG23 THR 693 5.050 -8.769 -17.727 376 H CYS 48 H CYS 694 4.464 -11.210 -14.916 377 HA CYS 48 HA CYS 694 2.621 -13.418 -14.336 378 HB2 CYS 48 HB2 CYS 694 3.508 -13.240 -12.157 379 HB3 CYS 48 HB3 CYS 694 4.855 -12.722 -13.047 380 H TYR 49 H TYR 695 0.566 -13.258 -13.373 381 HA TYR 49 HA TYR 695 -1.251 -11.304 -13.628 382 HB2 TYR 49 HB2 TYR 695 -2.375 -12.245 -11.940 383 HB3 TYR 49 HB3 TYR 695 -1.429 -13.568 -12.595 384 HD1 TYR 49 HD1 TYR 695 1.000 -13.911 -11.380 385 HD2 TYR 49 HD2 TYR 695 -2.479 -12.067 -9.585 386 HE1 TYR 49 HE1 TYR 695 1.908 -14.356 -9.143 387 HE2 TYR 49 HE2 TYR 695 -1.529 -12.493 -7.322 388 HH TYR 49 HH TYR 695 0.170 -13.533 -6.119 389 H VAL 50 H VAL 696 1.146 -11.059 -10.917 390 HA VAL 50 HA VAL 696 0.066 -8.689 -9.795 391 HB VAL 50 HB VAL 696 2.571 -10.244 -9.540 392 HG11 VAL 50 HG11 VAL 696 2.569 -7.359 -8.629 393 HG12 VAL 50 HG12 VAL 696 3.736 -8.620 -8.169 394 HG13 VAL 50 HG13 VAL 696 3.639 -8.103 -9.854 395 HG21 VAL 50 HG21 VAL 696 0.861 -8.893 -7.449 396 HG22 VAL 50 HG22 VAL 696 0.593 -10.530 -8.097 397 HG23 VAL 50 HG23 VAL 696 2.078 -10.172 -7.218 398 H CYS 51 H CYS 697 2.091 -9.103 -12.642 399 HA CYS 51 HA CYS 697 2.220 -6.211 -13.153 400 HB2 CYS 51 HB2 CYS 697 3.544 -8.499 -14.588 401 HB3 CYS 51 HB3 CYS 697 3.744 -6.803 -14.947 402 H GLN 52 H GLN 698 1.324 -9.261 -15.096 403 HA GLN 52 HA GLN 698 -0.052 -7.559 -16.996 404 HB2 GLN 52 HB2 GLN 698 -0.839 -9.687 -17.919 405 HB3 GLN 52 HB3 GLN 698 0.891 -9.516 -17.950 406 HG2 GLN 52 HG2 GLN 698 1.142 -11.233 -16.481 407 HG3 GLN 52 HG3 GLN 698 -0.337 -11.006 -15.664 408 HE21 GLN 52 HE21 GLN 698 1.097 -13.112 -17.850 409 HE22 GLN 52 HE22 GLN 698 -0.395 -13.812 -18.482 410 H ASP 53 H ASP 699 -1.204 -9.579 -14.344 411 HA ASP 53 HA ASP 699 -3.222 -9.963 -13.381 412 HB2 ASP 53 HB2 ASP 699 -3.431 -7.556 -12.926 413 HB3 ASP 53 HB3 ASP 699 -4.012 -7.300 -14.554 414 H1 ALA 1 H1 ALA 1 11.789 -14.599 -20.080 415 H2 ALA 1 H2 ALA 1 12.271 -16.152 -20.305 416 H3 ALA 1 H3 ALA 1 13.261 -15.078 -19.560 417 HA ALA 1 HA ALA 1 11.664 -14.876 -17.693 418 HB1 ALA 1 HB1 ALA 1 9.619 -15.495 -18.982 419 HB2 ALA 1 HB2 ALA 1 10.180 -17.179 -19.093 420 HB3 ALA 1 HB3 ALA 1 9.811 -16.473 -17.529 421 H ARG 2 H ARG 2 13.211 -15.713 -16.159 422 HA ARG 2 HA ARG 2 14.910 -17.973 -16.624 423 HB2 ARG 2 HB2 ARG 2 14.844 -15.942 -14.799 424 HB3 ARG 2 HB3 ARG 2 14.284 -17.283 -13.780 425 HG2 ARG 2 HG2 ARG 2 16.283 -18.539 -14.258 426 HG3 ARG 2 HG3 ARG 2 16.898 -17.202 -15.253 427 HD2 ARG 2 HD2 ARG 2 16.076 -16.128 -12.651 428 HD3 ARG 2 HD3 ARG 2 17.004 -17.568 -12.371 429 HE ARG 2 HE ARG 2 18.927 -16.675 -13.385 430 HH11 ARG 2 HH11 ARG 2 16.387 -14.213 -13.396 431 HH12 ARG 2 HH12 ARG 2 17.542 -12.949 -13.724 432 HH21 ARG 2 HH21 ARG 2 20.296 -15.002 -13.791 433 HH22 ARG 2 HH22 ARG 2 19.687 -13.383 -13.936 434 H THR 3 H THR 3 14.900 -20.120 -15.682 435 HA THR 3 HA THR 3 12.411 -21.045 -14.366 436 HB THR 3 HB THR 3 12.491 -23.100 -15.939 437 HG1 THR 3 HG1 THR 3 14.192 -22.510 -17.292 438 HG21 THR 3 HG21 THR 3 10.682 -22.128 -17.156 439 HG22 THR 3 HG22 THR 3 10.627 -21.450 -15.578 440 HG23 THR 3 HG23 THR 3 11.295 -20.477 -16.905 441 H MLY 4 H MLY 4 12.423 -23.046 -13.393 442 HA MLY 4 HA MLY 4 15.002 -24.346 -12.852 443 HB2 MLY 4 HB2 MLY 4 14.936 -23.882 -10.465 444 HB3 MLY 4 HB3 MLY 4 14.783 -22.339 -11.308 445 HG2 MLY 4 HG2 MLY 4 12.250 -22.671 -11.091 446 HG3 MLY 4 HG3 MLY 4 12.604 -23.943 -9.923 447 HD2 MLY 4 HD2 MLY 4 13.865 -21.192 -9.566 448 HD3 MLY 4 HD3 MLY 4 12.169 -21.427 -9.179 449 HE2 MLY 4 HE2 MLY 4 12.732 -23.258 -7.584 450 HE3 MLY 4 HE3 MLY 4 14.435 -23.086 -8.004 451 HH11 MLY 4 HH11 MLY 4 11.593 -21.499 -6.212 452 HH12 MLY 4 HH12 MLY 4 12.507 -20.074 -5.699 453 HH13 MLY 4 HH13 MLY 4 11.992 -20.212 -7.367 454 HH21 MLY 4 HH21 MLY 4 15.156 -22.588 -5.785 455 HH22 MLY 4 HH22 MLY 4 14.342 -21.368 -4.811 456 HH23 MLY 4 HH23 MLY 4 13.503 -22.877 -5.213 457 HZ MLY 4 HZ MLY 4 14.335 -20.794 -7.161 458 H GLN 5 H GLN 5 14.754 -26.252 -11.474 459 HA GLN 5 HA GLN 5 12.055 -27.400 -11.187 460 HB2 GLN 5 HB2 GLN 5 14.322 -28.837 -12.608 461 HB3 GLN 5 HB3 GLN 5 12.793 -29.570 -12.118 462 HG2 GLN 5 HG2 GLN 5 11.580 -28.073 -13.680 463 HG3 GLN 5 HG3 GLN 5 13.115 -27.351 -14.184 464 HE21 GLN 5 HE21 GLN 5 11.996 -28.170 -16.323 465 HE22 GLN 5 HE22 GLN 5 12.505 -29.778 -16.822 466 H THR 6 H THR 6 11.950 -29.033 -9.549 467 HA THR 6 HA THR 6 13.924 -28.815 -7.427 468 HB THR 6 HB THR 6 12.557 -30.638 -6.349 469 HG1 THR 6 HG1 THR 6 11.673 -31.593 -8.208 470 HG21 THR 6 HG21 THR 6 10.589 -29.192 -5.953 471 HG22 THR 6 HG22 THR 6 12.111 -28.292 -5.866 472 HG23 THR 6 HG23 THR 6 11.084 -28.149 -7.305 473 H ALA 7 H ALA 7 15.494 -30.202 -6.771 474 HA ALA 7 HA ALA 7 15.932 -32.824 -8.012 475 HB1 ALA 7 HB1 ALA 7 17.888 -30.505 -8.419 476 HB2 ALA 7 HB2 ALA 7 18.171 -32.197 -8.892 477 HB3 ALA 7 HB3 ALA 7 16.890 -31.256 -9.680 478 H ARG 8 H ARG 8 17.819 -33.932 -7.091 479 HA ARG 8 HA ARG 8 18.951 -34.819 -5.306 480 HB2 ARG 8 HB2 ARG 8 19.802 -31.921 -4.958 481 HB3 ARG 8 HB3 ARG 8 20.640 -33.339 -4.318 482 HG2 ARG 8 HG2 ARG 8 20.994 -34.177 -6.631 483 HG3 ARG 8 HG3 ARG 8 20.229 -32.707 -7.272 484 HD2 ARG 8 HD2 ARG 8 21.943 -31.320 -6.155 485 HD3 ARG 8 HD3 ARG 8 22.714 -32.784 -5.512 486 HE ARG 8 HE ARG 8 22.526 -33.070 -8.329 487 HH11 ARG 8 HH11 ARG 8 24.301 -31.073 -6.067 488 HH12 ARG 8 HH12 ARG 8 25.639 -30.848 -7.162 489 HH21 ARG 8 HH21 ARG 8 24.257 -32.746 -9.685 490 HH22 ARG 8 HH22 ARG 8 25.608 -31.781 -9.172 491 H LYS 9 H LYS 9 16.309 -34.501 -4.636 492 HA LYS 9 HA LYS 9 15.955 -33.328 -2.014 493 HB2 LYS 9 HB2 LYS 9 13.737 -34.242 -2.080 494 HB3 LYS 9 HB3 LYS 9 14.139 -33.567 -3.657 495 HG2 LYS 9 HG2 LYS 9 14.607 -35.894 -4.497 496 HG3 LYS 9 HG3 LYS 9 14.142 -36.531 -2.910 497 HD2 LYS 9 HD2 LYS 9 11.866 -35.553 -3.183 498 HD3 LYS 9 HD3 LYS 9 12.354 -34.872 -4.737 499 HE2 LYS 9 HE2 LYS 9 11.104 -36.813 -5.250 500 HE3 LYS 9 HE3 LYS 9 12.793 -37.192 -5.594 501 HZ1 LYS 9 HZ1 LYS 9 11.657 -38.991 -4.388 502 HZ2 LYS 9 HZ2 LYS 9 12.876 -38.422 -3.475 503 HZ3 LYS 9 HZ3 LYS 9 11.326 -38.016 -3.126 504 H SER 10 H SER 10 17.322 -36.354 -2.887 505 HA SER 10 HA SER 10 16.655 -37.880 -0.527 506 HB2 SER 10 HB2 SER 10 18.461 -39.380 -1.324 507 HB3 SER 10 HB3 SER 10 17.260 -39.001 -2.566 508 HG SER 10 HG SER 10 19.425 -38.856 -3.356 509 H THR 11 H THR 11 18.126 -38.599 1.108 510 HA THR 11 HA THR 11 19.609 -36.492 2.425 511 HB THR 11 HB THR 11 20.178 -38.295 4.069 512 HG1 THR 11 HG1 THR 11 20.004 -40.036 2.561 513 HG21 THR 11 HG21 THR 11 17.212 -38.017 3.405 514 HG22 THR 11 HG22 THR 11 17.908 -38.518 4.960 515 HG23 THR 11 HG23 THR 11 18.180 -36.870 4.360 516 HN1 NH2 12 H01 THR 11 21.715 -36.117 2.549 517 HN2 NH2 12 H02 THR 11 22.950 -37.076 1.764 Start of MODEL 19 1 H1 GLY -3 H1 GLY -3 9.643 3.773 -3.673 2 H2 GLY -3 H2 GLY -3 9.545 4.279 -2.117 3 H3 GLY -3 H3 GLY -3 9.576 5.374 -3.333 4 HA2 GLY -3 HA2 GLY -3 11.824 4.778 -3.933 5 HA3 GLY -3 HA3 GLY -3 11.723 5.315 -2.248 6 H HIS -2 H HIS -2 13.670 4.170 -1.812 7 HA HIS -2 HA HIS -2 14.985 2.470 -1.119 8 HB2 HIS -2 HB2 HIS -2 13.111 2.597 0.548 9 HB3 HIS -2 HB3 HIS -2 12.388 1.193 -0.219 10 HD2 HIS -2 HD2 HIS -2 16.149 0.782 -0.018 11 HE1 HIS -2 HE1 HIS -2 14.632 -1.106 3.489 12 HE2 HIS -2 HE2 HIS -2 16.687 -0.790 2.010 13 H MET -1 H MET -1 14.493 2.264 -3.853 14 HA MET -1 HA MET -1 13.786 -0.382 -4.727 15 HB2 MET -1 HB2 MET -1 14.919 0.287 -6.823 16 HB3 MET -1 HB3 MET -1 13.702 1.452 -6.273 17 HG2 MET -1 HG2 MET -1 15.601 2.889 -5.432 18 HG3 MET -1 HG3 MET -1 16.737 1.705 -6.074 19 HE1 MET -1 HE1 MET -1 18.050 3.472 -7.443 20 HE2 MET -1 HE2 MET -1 17.288 4.648 -8.538 21 HE3 MET -1 HE3 MET -1 16.985 4.739 -6.789 22 H ASP 0 H ASP 646 16.847 0.967 -3.787 23 HA ASP 0 HA ASP 646 18.983 0.344 -3.824 24 HB2 ASP 0 HB2 ASP 646 17.734 -2.288 -2.951 25 HB3 ASP 0 HB3 ASP 646 19.466 -2.028 -3.032 26 H ARG 1 H ARG 647 17.425 -0.374 -6.271 27 HA ARG 1 HA ARG 647 17.821 -1.111 -8.472 28 HB2 ARG 1 HB2 ARG 647 19.801 -0.212 -9.385 29 HB3 ARG 1 HB3 ARG 647 19.268 0.787 -8.020 30 HG2 ARG 1 HG2 ARG 647 21.650 0.745 -8.205 31 HG3 ARG 1 HG3 ARG 647 21.018 0.264 -6.643 32 HD2 ARG 1 HD2 ARG 647 22.919 -1.144 -7.240 33 HD3 ARG 1 HD3 ARG 647 21.432 -2.072 -7.170 34 HE ARG 1 HE ARG 647 21.456 -2.419 -9.473 35 HH11 ARG 1 HH11 ARG 647 24.145 -0.292 -8.696 36 HH12 ARG 1 HH12 ARG 647 24.879 -0.501 -10.264 37 HH21 ARG 1 HH21 ARG 647 22.447 -2.642 -11.439 38 HH22 ARG 1 HH22 ARG 647 23.934 -1.805 -11.779 39 H TYR 2 H TYR 648 18.279 -3.141 -6.250 40 HA TYR 2 HA TYR 648 19.988 -5.133 -7.446 41 HB2 TYR 2 HB2 TYR 648 18.614 -4.609 -4.927 42 HB3 TYR 2 HB3 TYR 648 18.302 -6.263 -5.441 43 HD1 TYR 2 HD1 TYR 648 20.931 -3.866 -4.412 44 HD2 TYR 2 HD2 TYR 648 20.068 -7.940 -5.533 45 HE1 TYR 2 HE1 TYR 648 23.161 -4.563 -3.579 46 HE2 TYR 2 HE2 TYR 648 22.309 -8.640 -4.703 47 HH TYR 2 HH TYR 648 24.630 -6.311 -3.257 48 H ASP 3 H ASP 649 19.408 -7.290 -7.954 49 HA ASP 3 HA ASP 649 16.764 -7.688 -9.239 50 HB2 ASP 3 HB2 ASP 649 19.247 -9.436 -9.157 51 HB3 ASP 3 HB3 ASP 649 17.745 -9.842 -9.975 52 H PHE 4 H PHE 650 15.142 -8.454 -7.972 53 HA PHE 4 HA PHE 650 15.780 -10.154 -5.599 54 HB2 PHE 4 HB2 PHE 650 13.506 -8.205 -6.158 55 HB3 PHE 4 HB3 PHE 650 13.602 -9.263 -4.786 56 HD1 PHE 4 HD1 PHE 650 15.665 -9.074 -3.206 57 HD2 PHE 4 HD2 PHE 650 14.539 -6.038 -6.052 58 HE1 PHE 4 HE1 PHE 650 16.862 -7.370 -1.856 59 HE2 PHE 4 HE2 PHE 650 15.716 -4.330 -4.686 60 HZ PHE 4 HZ PHE 650 16.859 -4.984 -2.573 61 H GLU 5 H GLU 651 15.568 -12.181 -6.224 62 HA GLU 5 HA GLU 651 13.334 -13.383 -7.680 63 HB2 GLU 5 HB2 GLU 651 14.293 -15.468 -6.312 64 HB3 GLU 5 HB3 GLU 651 15.175 -14.910 -7.718 65 HG2 GLU 5 HG2 GLU 651 16.745 -13.677 -6.240 66 HG3 GLU 5 HG3 GLU 651 15.841 -14.219 -4.823 67 H VAL 6 H VAL 652 11.425 -13.445 -6.978 68 HA VAL 6 HA VAL 652 10.847 -13.956 -4.110 69 HB VAL 6 HB VAL 652 9.919 -11.707 -5.903 70 HG11 VAL 6 HG11 VAL 652 8.720 -12.472 -3.190 71 HG12 VAL 6 HG12 VAL 652 8.384 -10.958 -4.061 72 HG13 VAL 6 HG13 VAL 652 7.874 -12.495 -4.758 73 HG21 VAL 6 HG21 VAL 652 11.169 -11.617 -3.137 74 HG22 VAL 6 HG22 VAL 652 11.932 -11.164 -4.680 75 HG23 VAL 6 HG23 VAL 652 10.591 -10.210 -4.067 76 H VAL 7 H VAL 653 9.854 -15.853 -4.077 77 HA VAL 7 HA VAL 653 8.293 -16.733 -6.380 78 HB VAL 7 HB VAL 653 8.563 -17.956 -3.595 79 HG11 VAL 7 HG11 VAL 653 7.225 -19.006 -6.116 80 HG12 VAL 7 HG12 VAL 653 7.619 -19.991 -4.673 81 HG13 VAL 7 HG13 VAL 653 6.401 -18.708 -4.595 82 HG21 VAL 7 HG21 VAL 653 10.596 -17.997 -5.126 83 HG22 VAL 7 HG22 VAL 653 9.939 -19.617 -4.730 84 HG23 VAL 7 HG23 VAL 653 9.610 -18.881 -6.303 85 H ARG 8 H ARG 654 6.591 -15.479 -6.776 86 HA ARG 8 HA ARG 654 4.375 -15.241 -4.754 87 HB2 ARG 8 HB2 ARG 654 5.831 -13.084 -6.202 88 HB3 ARG 8 HB3 ARG 654 4.083 -13.034 -6.427 89 HG2 ARG 8 HG2 ARG 654 3.769 -12.984 -3.988 90 HG3 ARG 8 HG3 ARG 654 5.489 -13.210 -3.735 91 HD2 ARG 8 HD2 ARG 654 5.962 -10.936 -4.480 92 HD3 ARG 8 HD3 ARG 654 4.647 -10.991 -5.628 93 HE ARG 8 HE ARG 654 3.308 -9.900 -4.077 94 HH11 ARG 8 HH11 ARG 654 5.823 -11.449 -2.144 95 HH12 ARG 8 HH12 ARG 654 5.210 -10.744 -0.678 96 HH21 ARG 8 HH21 ARG 654 2.619 -9.072 -2.174 97 HH22 ARG 8 HH22 ARG 654 3.459 -9.439 -0.696 98 H CYS 9 H CYS 655 3.464 -16.984 -5.476 99 HA CYS 9 HA CYS 655 2.283 -17.005 -8.243 100 HB2 CYS 9 HB2 CYS 655 3.324 -19.088 -7.338 101 HB3 CYS 9 HB3 CYS 655 2.172 -19.074 -6.049 102 H ILE 10 H ILE 656 -0.001 -17.180 -8.553 103 HA ILE 10 HA ILE 656 -1.791 -15.654 -7.025 104 HB ILE 10 HB ILE 656 -3.599 -17.038 -8.122 105 HG12 ILE 10 HG12 ILE 656 -2.963 -18.431 -10.066 106 HG13 ILE 10 HG13 ILE 656 -1.297 -18.506 -9.495 107 HG21 ILE 10 HG21 ILE 656 -2.782 -15.010 -9.039 108 HG22 ILE 10 HG22 ILE 656 -1.351 -15.802 -9.713 109 HG23 ILE 10 HG23 ILE 656 -2.965 -16.142 -10.388 110 HD11 ILE 10 HD11 ILE 656 -2.904 -20.494 -9.113 111 HD12 ILE 10 HD12 ILE 656 -1.912 -19.995 -7.759 112 HD13 ILE 10 HD13 ILE 656 -3.631 -19.517 -7.826 113 H CYS 11 H CYS 657 -0.452 -18.584 -6.267 114 HA CYS 11 HA CYS 657 -2.518 -19.836 -4.670 115 HB2 CYS 11 HB2 CYS 657 0.381 -20.194 -5.365 116 HB3 CYS 11 HB3 CYS 657 -0.232 -21.044 -3.874 117 H GLU 12 H GLU 658 -0.417 -17.105 -4.209 118 HA GLU 12 HA GLU 658 0.631 -16.050 -2.572 119 HB2 GLU 12 HB2 GLU 658 -2.058 -16.658 -1.272 120 HB3 GLU 12 HB3 GLU 658 -0.898 -15.483 -0.605 121 HG2 GLU 12 HG2 GLU 658 -1.022 -14.153 -2.662 122 HG3 GLU 12 HG3 GLU 658 -2.111 -15.327 -3.399 123 H VAL 13 H VAL 659 1.554 -18.406 -2.826 124 HA VAL 13 HA VAL 659 2.616 -19.062 -0.156 125 HB VAL 13 HB VAL 659 0.899 -20.735 -1.205 126 HG11 VAL 13 HG11 VAL 659 1.939 -20.877 -3.432 127 HG12 VAL 13 HG12 VAL 659 3.351 -21.653 -2.723 128 HG13 VAL 13 HG13 VAL 659 1.769 -22.453 -2.627 129 HG21 VAL 13 HG21 VAL 659 3.586 -21.619 -0.081 130 HG22 VAL 13 HG22 VAL 659 2.127 -21.196 0.828 131 HG23 VAL 13 HG23 VAL 659 2.132 -22.641 -0.189 132 H GLN 14 H GLN 660 4.747 -19.021 -0.086 133 HA GLN 14 HA GLN 660 6.358 -18.609 -2.511 134 HB2 GLN 14 HB2 GLN 660 7.072 -18.710 0.410 135 HB3 GLN 14 HB3 GLN 660 8.263 -18.569 -0.899 136 HG2 GLN 14 HG2 GLN 660 7.741 -16.422 0.177 137 HG3 GLN 14 HG3 GLN 660 7.415 -16.423 -1.543 138 HE21 GLN 14 HE21 GLN 660 5.214 -16.074 -2.250 139 HE22 GLN 14 HE22 GLN 660 3.941 -15.700 -1.078 140 H GLU 15 H GLU 661 5.012 -21.351 -1.638 141 HA GLU 15 HA GLU 661 7.039 -23.303 -1.205 142 HB2 GLU 15 HB2 GLU 661 4.686 -23.637 -0.541 143 HB3 GLU 15 HB3 GLU 661 4.208 -23.624 -2.242 144 HG2 GLU 15 HG2 GLU 661 4.239 -25.870 -1.378 145 HG3 GLU 15 HG3 GLU 661 5.417 -25.681 -2.667 146 H GLU 16 H GLU 662 7.592 -24.992 -2.760 147 HA GLU 16 HA GLU 662 7.754 -24.040 -5.459 148 HB2 GLU 16 HB2 GLU 662 9.901 -25.793 -4.837 149 HB3 GLU 16 HB3 GLU 662 9.760 -24.514 -5.959 150 HG2 GLU 16 HG2 GLU 662 11.134 -23.384 -4.743 151 HG3 GLU 16 HG3 GLU 662 9.728 -22.879 -3.877 152 H ASN 17 H ASN 663 6.692 -25.104 -6.416 153 HA ASN 17 HA ASN 663 5.898 -27.911 -6.352 154 HB2 ASN 17 HB2 ASN 663 5.498 -25.763 -8.454 155 HB3 ASN 17 HB3 ASN 663 5.141 -27.431 -8.804 156 HD21 ASN 17 HD21 ASN 663 1.888 -26.356 -7.977 157 HD22 ASN 17 HD22 ASN 663 2.989 -26.516 -9.304 158 H ASP 18 H ASP 664 6.309 -29.248 -8.455 159 HA ASP 18 HA ASP 664 9.014 -29.879 -8.933 160 HB2 ASP 18 HB2 ASP 664 6.557 -30.211 -10.710 161 HB3 ASP 18 HB3 ASP 664 8.104 -30.970 -10.990 162 H PHE 19 H PHE 665 6.937 -27.581 -10.665 163 HA PHE 19 HA PHE 665 9.275 -26.563 -12.147 164 HB2 PHE 19 HB2 PHE 665 7.701 -27.729 -13.752 165 HB3 PHE 19 HB3 PHE 665 6.384 -26.802 -13.099 166 HD1 PHE 19 HD1 PHE 665 5.642 -25.372 -14.766 167 HD2 PHE 19 HD2 PHE 665 9.893 -25.958 -14.208 168 HE1 PHE 19 HE1 PHE 665 6.133 -23.763 -16.595 169 HE2 PHE 19 HE2 PHE 665 10.352 -24.297 -15.962 170 HZ PHE 19 HZ PHE 665 8.468 -23.291 -17.208 171 H MET 20 H MET 666 9.751 -24.412 -12.096 172 HA MET 20 HA MET 666 7.631 -22.535 -11.461 173 HB2 MET 20 HB2 MET 666 10.303 -22.196 -10.113 174 HB3 MET 20 HB3 MET 666 8.967 -21.176 -9.881 175 HG2 MET 20 HG2 MET 666 7.851 -23.472 -9.125 176 HG3 MET 20 HG3 MET 666 9.501 -24.043 -8.985 177 HE1 MET 20 HE1 MET 666 7.277 -21.449 -6.170 178 HE2 MET 20 HE2 MET 666 7.766 -20.449 -7.594 179 HE3 MET 20 HE3 MET 666 6.811 -21.922 -7.810 180 H ILE 21 H ILE 667 7.996 -20.369 -12.195 181 HA ILE 21 HA ILE 667 10.145 -19.996 -14.208 182 HB ILE 21 HB ILE 667 7.362 -18.911 -14.620 183 HG12 ILE 21 HG12 ILE 667 8.254 -21.200 -16.366 184 HG13 ILE 21 HG13 ILE 667 7.690 -21.615 -14.748 185 HG21 ILE 21 HG21 ILE 667 9.073 -17.853 -16.131 186 HG22 ILE 21 HG22 ILE 667 9.388 -19.418 -16.914 187 HG23 ILE 21 HG23 ILE 667 7.817 -18.675 -17.058 188 HD11 ILE 21 HD11 ILE 667 5.694 -20.249 -15.057 189 HD12 ILE 21 HD12 ILE 667 6.183 -20.033 -16.764 190 HD13 ILE 21 HD13 ILE 667 5.863 -21.656 -16.160 191 H GLN 22 H GLN 668 10.586 -17.688 -14.673 192 HA GLN 22 HA GLN 668 9.874 -15.942 -12.323 193 HB2 GLN 22 HB2 GLN 668 12.275 -16.361 -12.354 194 HB3 GLN 22 HB3 GLN 668 12.297 -16.101 -14.123 195 HG2 GLN 22 HG2 GLN 668 12.090 -13.703 -13.895 196 HG3 GLN 22 HG3 GLN 668 11.482 -13.921 -12.277 197 HE21 GLN 22 HE21 GLN 668 13.102 -13.683 -10.523 198 HE22 GLN 22 HE22 GLN 668 14.815 -13.692 -10.941 199 H CYS 23 H CYS 669 8.904 -14.030 -12.617 200 HA CYS 23 HA CYS 669 7.832 -13.206 -15.176 201 HB2 CYS 23 HB2 CYS 669 6.843 -12.690 -12.937 202 HB3 CYS 23 HB3 CYS 669 8.265 -11.744 -12.533 203 H GLU 24 H GLU 670 8.640 -11.934 -16.697 204 HA GLU 24 HA GLU 670 11.453 -11.155 -16.551 205 HB2 GLU 24 HB2 GLU 670 11.130 -10.397 -18.771 206 HB3 GLU 24 HB3 GLU 670 10.346 -11.956 -18.633 207 HG2 GLU 24 HG2 GLU 670 8.460 -10.895 -19.527 208 HG3 GLU 24 HG3 GLU 670 8.279 -10.293 -17.929 209 H GLU 25 H GLU 671 8.544 -9.560 -15.566 210 HA GLU 25 HA GLU 671 9.637 -6.845 -15.936 211 HB2 GLU 25 HB2 GLU 671 7.326 -7.454 -16.446 212 HB3 GLU 25 HB3 GLU 671 7.031 -7.798 -14.795 213 HG2 GLU 25 HG2 GLU 671 6.147 -5.589 -15.642 214 HG3 GLU 25 HG3 GLU 671 7.018 -5.579 -14.125 215 H CYS 26 H CYS 672 8.330 -8.630 -13.135 216 HA CYS 26 HA CYS 672 9.928 -6.894 -11.391 217 HB2 CYS 26 HB2 CYS 672 8.448 -7.397 -9.721 218 HB3 CYS 26 HB3 CYS 672 7.501 -6.839 -11.115 219 H GLN 27 H GLN 673 10.382 -9.896 -12.597 220 HA GLN 27 HA GLN 673 11.751 -11.513 -12.162 221 HB2 GLN 27 HB2 GLN 673 12.704 -9.522 -10.230 222 HB3 GLN 27 HB3 GLN 673 12.915 -11.047 -9.614 223 HG2 GLN 27 HG2 GLN 673 14.850 -11.246 -10.678 224 HG3 GLN 27 HG3 GLN 673 14.050 -11.385 -12.203 225 HE21 GLN 27 HE21 GLN 673 13.536 -9.363 -13.515 226 HE22 GLN 27 HE22 GLN 673 14.611 -8.010 -13.285 227 H CYS 28 H CYS 674 9.051 -11.191 -10.322 228 HA CYS 28 HA CYS 674 9.662 -13.066 -8.283 229 HB2 CYS 28 HB2 CYS 674 7.201 -13.133 -7.982 230 HB3 CYS 28 HB3 CYS 674 7.905 -11.450 -8.077 231 HG CYS 28 HG CYS 674 5.571 -11.433 -9.260 232 H TRP 29 H TRP 675 8.966 -15.205 -7.947 233 HA TRP 29 HA TRP 675 8.910 -16.795 -10.403 234 HB2 TRP 29 HB2 TRP 675 9.948 -17.159 -7.634 235 HB3 TRP 29 HB3 TRP 675 9.671 -18.583 -8.655 236 HD1 TRP 29 HD1 TRP 675 11.916 -15.526 -8.308 237 HE1 TRP 29 HE1 TRP 675 14.087 -15.869 -9.679 238 HE3 TRP 29 HE3 TRP 675 10.618 -19.776 -10.772 239 HZ2 TRP 29 HZ2 TRP 675 15.123 -17.851 -11.438 240 HZ3 TRP 29 HZ3 TRP 675 12.255 -20.855 -12.354 241 HH2 TRP 29 HH2 TRP 675 14.505 -19.911 -12.655 242 H GLN 30 H GLN 676 7.419 -18.478 -10.838 243 HA GLN 30 HA GLN 676 5.276 -18.858 -8.785 244 HB2 GLN 30 HB2 GLN 676 4.831 -18.313 -11.767 245 HB3 GLN 30 HB3 GLN 676 3.575 -18.694 -10.582 246 HG2 GLN 30 HG2 GLN 676 3.373 -16.429 -10.795 247 HG3 GLN 30 HG3 GLN 676 4.253 -16.762 -9.290 248 HE21 GLN 30 HE21 GLN 676 5.285 -14.748 -9.216 249 HE22 GLN 30 HE22 GLN 676 6.488 -14.286 -10.440 250 H HIS 31 H HIS 677 3.900 -20.710 -9.269 251 HA HIS 31 HA HIS 677 5.395 -22.949 -10.458 252 HB2 HIS 31 HB2 HIS 677 2.407 -22.930 -9.863 253 HB3 HIS 31 HB3 HIS 677 3.521 -24.268 -9.904 254 HD2 HIS 31 HD2 HIS 677 5.632 -23.655 -7.958 255 HE1 HIS 31 HE1 HIS 677 2.822 -22.414 -4.986 256 HE2 HIS 31 HE2 HIS 677 5.189 -23.135 -5.360 257 H GLY 32 H GLY 678 5.541 -23.021 -12.679 258 HA2 GLY 32 HA2 GLY 678 4.046 -21.363 -14.306 259 HA3 GLY 32 HA3 GLY 678 4.769 -22.917 -14.886 260 H VAL 33 H VAL 679 3.088 -24.563 -13.263 261 HA VAL 33 HA VAL 679 0.940 -24.904 -15.152 262 HB VAL 33 HB VAL 679 2.145 -26.651 -14.028 263 HG11 VAL 33 HG11 VAL 679 1.512 -27.384 -11.743 264 HG12 VAL 33 HG12 VAL 679 2.181 -25.744 -11.690 265 HG13 VAL 33 HG13 VAL 679 0.426 -25.991 -11.573 266 HG21 VAL 33 HG21 VAL 679 -0.031 -27.108 -15.111 267 HG22 VAL 33 HG22 VAL 679 0.281 -28.197 -13.749 268 HG23 VAL 33 HG23 VAL 679 -0.860 -26.852 -13.554 269 H CYS 34 H CYS 680 1.170 -22.951 -12.321 270 HA CYS 34 HA CYS 680 -1.710 -22.571 -11.761 271 HB2 CYS 34 HB2 CYS 680 0.799 -21.192 -10.783 272 HB3 CYS 34 HB3 CYS 680 -0.806 -20.813 -10.310 273 H MET 35 H MET 681 0.884 -21.183 -13.660 274 HA MET 35 HA MET 681 -0.500 -18.638 -14.318 275 HB2 MET 35 HB2 MET 681 2.304 -19.688 -14.852 276 HB3 MET 35 HB3 MET 681 1.726 -18.098 -15.216 277 HG2 MET 35 HG2 MET 681 1.696 -19.069 -12.359 278 HG3 MET 35 HG3 MET 681 3.109 -18.338 -13.109 279 HE1 MET 35 HE1 MET 681 -0.632 -16.091 -11.759 280 HE2 MET 35 HE2 MET 681 -0.760 -17.718 -12.445 281 HE3 MET 35 HE3 MET 681 0.142 -17.463 -10.930 282 H GLY 36 H GLY 682 -0.245 -21.782 -15.682 283 HA2 GLY 36 HA2 GLY 682 -1.135 -22.603 -17.643 284 HA3 GLY 36 HA3 GLY 682 -1.354 -20.965 -18.269 285 H LEU 37 H LEU 683 1.690 -22.133 -16.954 286 HA LEU 37 HA LEU 683 2.755 -22.509 -19.683 287 HB2 LEU 37 HB2 LEU 683 4.461 -21.258 -17.614 288 HB3 LEU 37 HB3 LEU 683 4.692 -21.123 -19.316 289 HG LEU 37 HG LEU 683 2.234 -19.682 -18.439 290 HD11 LEU 37 HD11 LEU 683 4.802 -18.453 -17.415 291 HD12 LEU 37 HD12 LEU 683 3.121 -18.001 -17.139 292 HD13 LEU 37 HD13 LEU 683 3.776 -19.453 -16.364 293 HD21 LEU 37 HD21 LEU 683 3.327 -17.910 -19.623 294 HD22 LEU 37 HD22 LEU 683 4.887 -18.798 -19.599 295 HD23 LEU 37 HD23 LEU 683 3.485 -19.422 -20.559 296 H LEU 38 H LEU 684 4.727 -23.801 -19.718 297 HA LEU 38 HA LEU 684 5.244 -25.698 -17.570 298 HB2 LEU 38 HB2 LEU 684 3.926 -26.150 -20.255 299 HB3 LEU 38 HB3 LEU 684 5.312 -27.145 -19.923 300 HG LEU 38 HG LEU 684 2.999 -28.039 -19.368 301 HD11 LEU 38 HD11 LEU 684 5.205 -29.013 -18.848 302 HD12 LEU 38 HD12 LEU 684 5.268 -28.091 -17.339 303 HD13 LEU 38 HD13 LEU 684 4.028 -29.362 -17.550 304 HD21 LEU 38 HD21 LEU 684 3.325 -26.528 -16.772 305 HD22 LEU 38 HD22 LEU 684 2.155 -26.130 -18.057 306 HD23 LEU 38 HD23 LEU 684 2.068 -27.690 -17.213 307 H GLU 39 H GLU 685 7.366 -26.797 -18.100 308 HA GLU 39 HA GLU 685 9.344 -25.053 -19.149 309 HB2 GLU 39 HB2 GLU 685 10.728 -27.122 -19.266 310 HB3 GLU 39 HB3 GLU 685 10.061 -26.825 -17.671 311 HG2 GLU 39 HG2 GLU 685 9.948 -29.134 -17.996 312 HG3 GLU 39 HG3 GLU 685 8.309 -28.505 -17.996 313 H GLU 40 H GLU 686 7.221 -27.251 -20.876 314 HA GLU 40 HA GLU 686 8.654 -27.078 -23.384 315 HB2 GLU 40 HB2 GLU 686 6.467 -27.523 -24.493 316 HB3 GLU 40 HB3 GLU 686 7.057 -28.778 -23.396 317 HG2 GLU 40 HG2 GLU 686 5.419 -28.327 -21.806 318 HG3 GLU 40 HG3 GLU 686 5.035 -26.718 -22.473 319 H ASN 41 H ASN 687 6.248 -24.914 -21.909 320 HA ASN 41 HA ASN 687 6.150 -23.308 -24.411 321 HB2 ASN 41 HB2 ASN 687 4.484 -23.135 -21.919 322 HB3 ASN 41 HB3 ASN 687 4.182 -22.272 -23.361 323 HD21 ASN 41 HD21 ASN 687 1.773 -25.011 -23.211 324 HD22 ASN 41 HD22 ASN 687 2.163 -23.696 -22.156 325 H VAL 42 H VAL 688 8.137 -23.044 -21.737 326 HA VAL 42 HA VAL 688 7.757 -20.529 -20.620 327 HB VAL 42 HB VAL 688 10.417 -21.823 -21.205 328 HG11 VAL 42 HG11 VAL 688 11.374 -20.359 -19.534 329 HG12 VAL 42 HG12 VAL 688 10.735 -19.361 -20.805 330 HG13 VAL 42 HG13 VAL 688 9.807 -19.521 -19.306 331 HG21 VAL 42 HG21 VAL 688 8.787 -23.048 -19.815 332 HG22 VAL 42 HG22 VAL 688 10.330 -22.687 -19.108 333 HG23 VAL 42 HG23 VAL 688 8.877 -21.705 -18.656 334 HA PRO 43 HA PRO 689 8.577 -17.970 -24.268 335 HB2 PRO 43 HB2 PRO 689 7.262 -15.738 -23.422 336 HB3 PRO 43 HB3 PRO 689 6.353 -17.181 -23.931 337 HG2 PRO 43 HG2 PRO 689 7.067 -16.288 -21.160 338 HG3 PRO 43 HG3 PRO 689 5.466 -16.822 -21.758 339 HD2 PRO 43 HD2 PRO 689 7.217 -18.518 -20.436 340 HD3 PRO 43 HD3 PRO 689 6.153 -19.101 -21.675 341 H GLU 44 H GLU 690 9.619 -15.922 -24.631 342 HA GLU 44 HA GLU 690 12.008 -15.619 -23.002 343 HB2 GLU 44 HB2 GLU 690 10.888 -13.939 -25.312 344 HB3 GLU 44 HB3 GLU 690 12.488 -13.761 -24.599 345 HG2 GLU 44 HG2 GLU 690 12.830 -14.948 -26.579 346 HG3 GLU 44 HG3 GLU 690 13.027 -16.116 -25.279 347 H LYS 45 H LYS 691 8.916 -13.921 -23.414 348 HA LYS 45 HA LYS 691 9.441 -12.460 -20.891 349 HB2 LYS 45 HB2 LYS 691 8.209 -11.382 -23.454 350 HB3 LYS 45 HB3 LYS 691 8.027 -10.675 -21.886 351 HG2 LYS 45 HG2 LYS 691 10.530 -10.419 -21.700 352 HG3 LYS 45 HG3 LYS 691 10.678 -10.955 -23.384 353 HD2 LYS 45 HD2 LYS 691 9.232 -9.088 -24.128 354 HD3 LYS 45 HD3 LYS 691 9.031 -8.548 -22.466 355 HE2 LYS 45 HE2 LYS 691 11.609 -8.511 -24.099 356 HE3 LYS 45 HE3 LYS 691 10.616 -7.139 -23.621 357 HZ1 LYS 45 HZ1 LYS 691 12.333 -7.185 -22.041 358 HZ2 LYS 45 HZ2 LYS 691 11.088 -7.903 -21.225 359 HZ3 LYS 45 HZ3 LYS 691 12.300 -8.807 -21.848 360 H TYR 46 H TYR 692 8.388 -14.228 -19.961 361 HA TYR 46 HA TYR 692 5.414 -14.052 -20.113 362 HB2 TYR 46 HB2 TYR 692 5.765 -16.217 -19.411 363 HB3 TYR 46 HB3 TYR 692 7.334 -15.902 -18.737 364 HD1 TYR 46 HD1 TYR 692 3.673 -15.609 -18.104 365 HD2 TYR 46 HD2 TYR 692 7.664 -15.567 -16.483 366 HE1 TYR 46 HE1 TYR 692 2.738 -15.436 -15.763 367 HE2 TYR 46 HE2 TYR 692 6.733 -15.561 -14.173 368 HH TYR 46 HH TYR 692 4.866 -15.686 -12.966 369 H THR 47 H THR 693 4.288 -12.607 -19.183 370 HA THR 47 HA THR 693 5.277 -10.946 -16.932 371 HB THR 47 HB THR 693 2.962 -9.911 -17.369 372 HG1 THR 47 HG1 THR 693 2.439 -10.037 -19.667 373 HG21 THR 47 HG21 THR 693 5.191 -9.465 -19.356 374 HG22 THR 47 HG22 THR 693 3.854 -8.345 -18.963 375 HG23 THR 47 HG23 THR 693 5.060 -8.751 -17.725 376 H CYS 48 H CYS 694 4.470 -11.203 -14.933 377 HA CYS 48 HA CYS 694 2.622 -13.411 -14.353 378 HB2 CYS 48 HB2 CYS 694 3.500 -13.231 -12.176 379 HB3 CYS 48 HB3 CYS 694 4.852 -12.715 -13.066 380 H TYR 49 H TYR 695 0.558 -13.241 -13.401 381 HA TYR 49 HA TYR 695 -1.261 -11.287 -13.672 382 HB2 TYR 49 HB2 TYR 695 -2.373 -12.230 -11.974 383 HB3 TYR 49 HB3 TYR 695 -1.444 -13.556 -12.640 384 HD1 TYR 49 HD1 TYR 695 0.997 -13.914 -11.438 385 HD2 TYR 49 HD2 TYR 695 -2.468 -12.054 -9.623 386 HE1 TYR 49 HE1 TYR 695 1.935 -14.325 -9.201 387 HE2 TYR 49 HE2 TYR 695 -1.504 -12.478 -7.371 388 HH TYR 49 HH TYR 695 0.308 -13.262 -6.177 389 H VAL 50 H VAL 696 1.126 -11.054 -10.953 390 HA VAL 50 HA VAL 696 0.053 -8.679 -9.834 391 HB VAL 50 HB VAL 696 2.550 -10.245 -9.572 392 HG11 VAL 50 HG11 VAL 696 2.542 -7.363 -8.652 393 HG12 VAL 50 HG12 VAL 696 3.707 -8.624 -8.188 394 HG13 VAL 50 HG13 VAL 696 3.627 -8.104 -9.872 395 HG21 VAL 50 HG21 VAL 696 0.844 -8.896 -7.482 396 HG22 VAL 50 HG22 VAL 696 0.569 -10.524 -8.134 397 HG23 VAL 50 HG23 VAL 696 2.056 -10.188 -7.259 398 H CYS 51 H CYS 697 2.089 -9.093 -12.672 399 HA CYS 51 HA CYS 697 2.216 -6.201 -13.183 400 HB2 CYS 51 HB2 CYS 697 3.553 -8.491 -14.603 401 HB3 CYS 51 HB3 CYS 697 3.758 -6.795 -14.966 402 H GLN 52 H GLN 698 1.333 -9.254 -15.127 403 HA GLN 52 HA GLN 698 -0.026 -7.546 -17.037 404 HB2 GLN 52 HB2 GLN 698 -0.823 -9.671 -17.962 405 HB3 GLN 52 HB3 GLN 698 0.909 -9.503 -17.995 406 HG2 GLN 52 HG2 GLN 698 1.164 -11.218 -16.522 407 HG3 GLN 52 HG3 GLN 698 -0.312 -10.989 -15.701 408 HE21 GLN 52 HE21 GLN 698 1.119 -13.102 -17.869 409 HE22 GLN 52 HE22 GLN 698 -0.370 -13.809 -18.503 410 H ASP 53 H ASP 699 -1.206 -9.554 -14.388 411 HA ASP 53 HA ASP 699 -3.232 -9.920 -13.434 412 HB2 ASP 53 HB2 ASP 699 -3.424 -7.511 -12.997 413 HB3 ASP 53 HB3 ASP 699 -3.987 -7.259 -14.634 414 H1 ALA 1 H1 ALA 1 12.239 -16.186 -20.336 415 H2 ALA 1 H2 ALA 1 13.261 -15.143 -19.586 416 H3 ALA 1 H3 ALA 1 11.801 -14.622 -20.097 417 HA ALA 1 HA ALA 1 11.670 -14.897 -17.721 418 HB1 ALA 1 HB1 ALA 1 9.615 -15.496 -19.004 419 HB2 ALA 1 HB2 ALA 1 10.155 -17.185 -19.106 420 HB3 ALA 1 HB3 ALA 1 9.792 -16.476 -17.548 421 H ARG 2 H ARG 2 13.206 -15.741 -16.192 422 HA ARG 2 HA ARG 2 14.905 -18.002 -16.640 423 HB2 ARG 2 HB2 ARG 2 14.797 -15.942 -14.845 424 HB3 ARG 2 HB3 ARG 2 14.265 -17.275 -13.809 425 HG2 ARG 2 HG2 ARG 2 16.277 -18.455 -14.044 426 HG3 ARG 2 HG3 ARG 2 16.887 -17.323 -15.276 427 HD2 ARG 2 HD2 ARG 2 16.046 -16.387 -12.479 428 HD3 ARG 2 HD3 ARG 2 17.677 -16.979 -12.798 429 HE ARG 2 HE ARG 2 16.398 -14.485 -13.710 430 HH11 ARG 2 HH11 ARG 2 19.259 -16.489 -14.097 431 HH12 ARG 2 HH12 ARG 2 20.193 -15.190 -14.796 432 HH21 ARG 2 HH21 ARG 2 17.642 -12.883 -14.602 433 HH22 ARG 2 HH22 ARG 2 19.289 -13.193 -15.069 434 H THR 3 H THR 3 14.885 -20.141 -15.688 435 HA THR 3 HA THR 3 12.396 -21.053 -14.378 436 HB THR 3 HB THR 3 12.467 -23.111 -15.960 437 HG1 THR 3 HG1 THR 3 14.176 -22.509 -17.301 438 HG21 THR 3 HG21 THR 3 10.594 -21.483 -15.594 439 HG22 THR 3 HG22 THR 3 11.274 -20.474 -16.891 440 HG23 THR 3 HG23 THR 3 10.673 -22.120 -17.184 441 H MLY 4 H MLY 4 12.398 -23.078 -13.407 442 HA MLY 4 HA MLY 4 14.975 -24.386 -12.883 443 HB2 MLY 4 HB2 MLY 4 14.923 -23.932 -10.491 444 HB3 MLY 4 HB3 MLY 4 14.768 -22.379 -11.327 445 HG2 MLY 4 HG2 MLY 4 12.241 -22.703 -11.096 446 HG3 MLY 4 HG3 MLY 4 12.599 -23.975 -9.928 447 HD2 MLY 4 HD2 MLY 4 13.867 -21.223 -9.590 448 HD3 MLY 4 HD3 MLY 4 12.175 -21.445 -9.189 449 HE2 MLY 4 HE2 MLY 4 12.750 -23.269 -7.587 450 HE3 MLY 4 HE3 MLY 4 14.450 -23.096 -8.018 451 HH11 MLY 4 HH11 MLY 4 12.521 -20.083 -5.712 452 HH12 MLY 4 HH12 MLY 4 12.009 -20.211 -7.386 453 HH13 MLY 4 HH13 MLY 4 11.611 -21.504 -6.240 454 HH21 MLY 4 HH21 MLY 4 15.188 -22.566 -5.809 455 HH22 MLY 4 HH22 MLY 4 14.381 -21.331 -4.847 456 HH23 MLY 4 HH23 MLY 4 13.541 -22.847 -5.209 457 HZ MLY 4 HZ MLY 4 14.347 -20.791 -7.204 458 H GLN 5 H GLN 5 14.746 -26.341 -11.628 459 HA GLN 5 HA GLN 5 12.040 -27.481 -11.324 460 HB2 GLN 5 HB2 GLN 5 14.288 -28.819 -12.869 461 HB3 GLN 5 HB3 GLN 5 12.791 -29.613 -12.367 462 HG2 GLN 5 HG2 GLN 5 11.476 -28.132 -13.817 463 HG3 GLN 5 HG3 GLN 5 12.932 -27.243 -14.275 464 HE21 GLN 5 HE21 GLN 5 12.075 -27.858 -16.506 465 HE22 GLN 5 HE22 GLN 5 12.618 -29.413 -17.130 466 H THR 6 H THR 6 11.898 -29.044 -9.689 467 HA THR 6 HA THR 6 14.090 -29.059 -7.723 468 HB THR 6 HB THR 6 12.569 -30.317 -6.302 469 HG1 THR 6 HG1 THR 6 10.488 -30.825 -7.068 470 HG21 THR 6 HG21 THR 6 10.762 -28.688 -6.048 471 HG22 THR 6 HG22 THR 6 12.315 -27.880 -6.333 472 HG23 THR 6 HG23 THR 6 11.131 -28.003 -7.650 473 H ALA 7 H ALA 7 14.846 -31.069 -6.707 474 HA ALA 7 HA ALA 7 15.904 -32.937 -8.587 475 HB1 ALA 7 HB1 ALA 7 15.741 -33.051 -5.543 476 HB2 ALA 7 HB2 ALA 7 16.830 -34.005 -6.574 477 HB3 ALA 7 HB3 ALA 7 17.015 -32.248 -6.497 478 H ARG 8 H ARG 8 12.767 -32.925 -7.180 479 HA ARG 8 HA ARG 8 12.275 -35.746 -6.916 480 HB2 ARG 8 HB2 ARG 8 10.936 -33.645 -6.058 481 HB3 ARG 8 HB3 ARG 8 10.148 -33.698 -7.635 482 HG2 ARG 8 HG2 ARG 8 9.559 -36.152 -7.101 483 HG3 ARG 8 HG3 ARG 8 10.232 -35.864 -5.494 484 HD2 ARG 8 HD2 ARG 8 7.936 -35.508 -5.170 485 HD3 ARG 8 HD3 ARG 8 8.571 -33.877 -5.340 486 HE ARG 8 HE ARG 8 7.522 -33.640 -7.443 487 HH11 ARG 8 HH11 ARG 8 7.000 -36.947 -6.311 488 HH12 ARG 8 HH12 ARG 8 5.779 -37.247 -7.512 489 HH21 ARG 8 HH21 ARG 8 5.995 -34.098 -8.918 490 HH22 ARG 8 HH22 ARG 8 5.220 -35.668 -8.961 491 H LYS 9 H LYS 9 12.198 -33.606 -9.707 492 HA LYS 9 HA LYS 9 10.773 -35.329 -11.534 493 HB2 LYS 9 HB2 LYS 9 10.961 -32.926 -11.903 494 HB3 LYS 9 HB3 LYS 9 12.721 -33.018 -11.947 495 HG2 LYS 9 HG2 LYS 9 11.825 -32.727 -14.174 496 HG3 LYS 9 HG3 LYS 9 12.669 -34.266 -14.039 497 HD2 LYS 9 HD2 LYS 9 10.455 -35.440 -13.850 498 HD3 LYS 9 HD3 LYS 9 9.639 -33.867 -14.000 499 HE2 LYS 9 HE2 LYS 9 10.692 -33.542 -16.225 500 HE3 LYS 9 HE3 LYS 9 11.558 -35.073 -16.052 501 HZ1 LYS 9 HZ1 LYS 9 8.589 -34.816 -16.171 502 HZ2 LYS 9 HZ2 LYS 9 9.537 -35.346 -17.387 503 HZ3 LYS 9 HZ3 LYS 9 9.410 -36.229 -16.025 504 H SER 10 H SER 10 11.415 -37.123 -12.530 505 HA SER 10 HA SER 10 14.047 -38.271 -12.237 506 HB2 SER 10 HB2 SER 10 13.103 -40.079 -13.647 507 HB3 SER 10 HB3 SER 10 12.081 -39.675 -12.257 508 HG SER 10 HG SER 10 10.881 -39.908 -14.230 509 H THR 11 H THR 11 15.413 -38.986 -13.957 510 HA THR 11 HA THR 11 15.939 -36.984 -16.049 511 HB THR 11 HB THR 11 17.356 -39.579 -15.345 512 HG1 THR 11 HG1 THR 11 17.505 -37.892 -13.801 513 HG21 THR 11 HG21 THR 11 19.232 -38.645 -16.700 514 HG22 THR 11 HG22 THR 11 17.829 -39.051 -17.688 515 HG23 THR 11 HG23 THR 11 18.149 -37.351 -17.275 516 HN1 NH2 12 H01 THR 11 15.187 -37.086 -18.055 517 HN2 NH2 12 H02 THR 11 14.541 -38.515 -18.830 Start of MODEL 20 1 H1 GLY -3 H1 GLY -3 10.842 -0.171 2.206 2 H2 GLY -3 H2 GLY -3 9.572 0.814 1.872 3 H3 GLY -3 H3 GLY -3 10.368 0.950 3.303 4 HA2 GLY -3 HA2 GLY -3 9.650 -1.238 4.000 5 HA3 GLY -3 HA3 GLY -3 8.269 -0.180 3.658 6 H HIS -2 H HIS -2 8.344 -3.053 3.653 7 HA HIS -2 HA HIS -2 7.686 -4.890 2.526 8 HB2 HIS -2 HB2 HIS -2 5.937 -2.865 1.122 9 HB3 HIS -2 HB3 HIS -2 5.664 -4.606 1.180 10 HD2 HIS -2 HD2 HIS -2 4.759 -1.493 2.970 11 HE1 HIS -2 HE1 HIS -2 4.098 -4.566 5.860 12 HE2 HIS -2 HE2 HIS -2 3.685 -2.116 5.298 13 H MET -1 H MET -1 7.243 -3.077 -0.473 14 HA MET -1 HA MET -1 8.647 -5.056 -2.065 15 HB2 MET -1 HB2 MET -1 8.391 -3.263 -3.830 16 HB3 MET -1 HB3 MET -1 6.895 -3.936 -3.171 17 HG2 MET -1 HG2 MET -1 8.105 -1.301 -2.229 18 HG3 MET -1 HG3 MET -1 7.056 -1.409 -3.630 19 HE1 MET -1 HE1 MET -1 3.548 -2.194 -2.202 20 HE2 MET -1 HE2 MET -1 4.511 -1.760 -3.633 21 HE3 MET -1 HE3 MET -1 4.677 -3.374 -2.893 22 H ASP 0 H ASP 646 9.621 -2.006 -0.661 23 HA ASP 0 HA ASP 646 11.425 -0.667 -0.876 24 HB2 ASP 0 HB2 ASP 646 12.862 -3.343 -1.009 25 HB3 ASP 0 HB3 ASP 646 13.668 -1.793 -0.941 26 H ARG 1 H ARG 647 10.255 -1.728 -3.380 27 HA ARG 1 HA ARG 647 10.352 -1.411 -5.699 28 HB2 ARG 1 HB2 ARG 647 10.860 0.790 -6.364 29 HB3 ARG 1 HB3 ARG 647 10.233 0.801 -4.706 30 HG2 ARG 1 HG2 ARG 647 11.860 2.516 -5.035 31 HG3 ARG 1 HG3 ARG 647 12.185 1.412 -3.714 32 HD2 ARG 1 HD2 ARG 647 14.265 1.971 -4.900 33 HD3 ARG 1 HD3 ARG 647 13.861 0.267 -5.031 34 HE ARG 1 HE ARG 647 13.406 0.482 -7.316 35 HH11 ARG 1 HH11 ARG 647 14.193 3.677 -6.074 36 HH12 ARG 1 HH12 ARG 647 14.390 4.351 -7.663 37 HH21 ARG 1 HH21 ARG 647 13.682 1.400 -9.309 38 HH22 ARG 1 HH22 ARG 647 14.108 3.074 -9.459 39 H TYR 2 H TYR 648 12.737 -2.785 -4.303 40 HA TYR 2 HA TYR 648 14.623 -3.014 -6.528 41 HB2 TYR 2 HB2 TYR 648 14.265 -4.056 -3.739 42 HB3 TYR 2 HB3 TYR 648 15.172 -5.082 -4.852 43 HD1 TYR 2 HD1 TYR 648 15.336 -2.096 -2.771 44 HD2 TYR 2 HD2 TYR 648 17.224 -4.211 -6.023 45 HE1 TYR 2 HE1 TYR 648 17.401 -0.767 -2.424 46 HE2 TYR 2 HE2 TYR 648 19.299 -2.869 -5.681 47 HH TYR 2 HH TYR 648 19.560 -0.360 -3.127 48 H ASP 3 H ASP 649 14.835 -4.719 -7.933 49 HA ASP 3 HA ASP 649 12.655 -6.747 -8.093 50 HB2 ASP 3 HB2 ASP 649 14.876 -6.105 -10.054 51 HB3 ASP 3 HB3 ASP 649 13.569 -7.267 -10.287 52 H PHE 4 H PHE 650 12.982 -8.505 -6.890 53 HA PHE 4 HA PHE 650 15.617 -9.914 -6.846 54 HB2 PHE 4 HB2 PHE 650 13.605 -9.339 -4.620 55 HB3 PHE 4 HB3 PHE 650 14.891 -10.505 -4.484 56 HD1 PHE 4 HD1 PHE 650 17.219 -8.913 -5.706 57 HD2 PHE 4 HD2 PHE 650 14.111 -7.811 -2.914 58 HE1 PHE 4 HE1 PHE 650 18.698 -7.186 -4.728 59 HE2 PHE 4 HE2 PHE 650 15.613 -6.107 -1.925 60 HZ PHE 4 HZ PHE 650 17.913 -5.794 -2.824 61 H GLU 5 H GLU 651 15.501 -12.134 -6.324 62 HA GLU 5 HA GLU 651 13.450 -13.580 -7.760 63 HB2 GLU 5 HB2 GLU 651 15.402 -14.860 -5.784 64 HB3 GLU 5 HB3 GLU 651 14.889 -15.485 -7.344 65 HG2 GLU 5 HG2 GLU 651 16.907 -13.277 -6.914 66 HG3 GLU 5 HG3 GLU 651 17.226 -14.950 -7.319 67 H VAL 6 H VAL 652 11.497 -13.362 -6.973 68 HA VAL 6 HA VAL 652 10.835 -13.987 -4.101 69 HB VAL 6 HB VAL 652 9.947 -11.750 -5.932 70 HG11 VAL 6 HG11 VAL 652 8.787 -12.510 -3.204 71 HG12 VAL 6 HG12 VAL 652 8.480 -10.979 -4.046 72 HG13 VAL 6 HG13 VAL 652 7.917 -12.487 -4.760 73 HG21 VAL 6 HG21 VAL 652 10.736 -10.258 -4.176 74 HG22 VAL 6 HG22 VAL 652 11.174 -11.644 -3.142 75 HG23 VAL 6 HG23 VAL 652 12.042 -11.338 -4.656 76 H VAL 7 H VAL 653 9.850 -15.886 -4.107 77 HA VAL 7 HA VAL 653 8.245 -16.705 -6.389 78 HB VAL 7 HB VAL 653 8.508 -17.945 -3.614 79 HG11 VAL 7 HG11 VAL 653 7.539 -19.970 -4.704 80 HG12 VAL 7 HG12 VAL 653 6.341 -18.671 -4.612 81 HG13 VAL 7 HG13 VAL 653 7.151 -18.970 -6.139 82 HG21 VAL 7 HG21 VAL 653 9.542 -18.860 -6.330 83 HG22 VAL 7 HG22 VAL 653 10.535 -17.983 -5.151 84 HG23 VAL 7 HG23 VAL 653 9.873 -19.606 -4.760 85 H ARG 8 H ARG 654 6.531 -15.484 -6.792 86 HA ARG 8 HA ARG 654 4.343 -15.197 -4.760 87 HB2 ARG 8 HB2 ARG 654 5.820 -13.058 -6.214 88 HB3 ARG 8 HB3 ARG 654 4.069 -12.993 -6.443 89 HG2 ARG 8 HG2 ARG 654 3.770 -12.936 -3.994 90 HG3 ARG 8 HG3 ARG 654 5.487 -13.182 -3.756 91 HD2 ARG 8 HD2 ARG 654 5.978 -10.911 -4.507 92 HD3 ARG 8 HD3 ARG 654 4.659 -10.960 -5.654 93 HE ARG 8 HE ARG 654 3.319 -9.851 -4.110 94 HH11 ARG 8 HH11 ARG 654 5.815 -11.424 -2.177 95 HH12 ARG 8 HH12 ARG 654 5.209 -10.719 -0.708 96 HH21 ARG 8 HH21 ARG 654 2.629 -9.018 -2.212 97 HH22 ARG 8 HH22 ARG 654 3.457 -9.390 -0.731 98 H CYS 9 H CYS 655 3.439 -16.941 -5.484 99 HA CYS 9 HA CYS 655 2.256 -16.960 -8.247 100 HB2 CYS 9 HB2 CYS 655 3.300 -19.048 -7.333 101 HB3 CYS 9 HB3 CYS 655 2.143 -19.031 -6.052 102 H ILE 10 H ILE 656 -0.022 -17.134 -8.570 103 HA ILE 10 HA ILE 656 -1.825 -15.626 -7.048 104 HB ILE 10 HB ILE 656 -3.627 -17.015 -8.139 105 HG12 ILE 10 HG12 ILE 656 -2.994 -18.412 -10.077 106 HG13 ILE 10 HG13 ILE 656 -1.325 -18.485 -9.518 107 HG21 ILE 10 HG21 ILE 656 -2.808 -14.990 -9.070 108 HG22 ILE 10 HG22 ILE 656 -1.377 -15.784 -9.736 109 HG23 ILE 10 HG23 ILE 656 -2.993 -16.133 -10.410 110 HD11 ILE 10 HD11 ILE 656 -1.942 -19.970 -7.764 111 HD12 ILE 10 HD12 ILE 656 -3.660 -19.485 -7.832 112 HD13 ILE 10 HD13 ILE 656 -2.944 -20.473 -9.119 113 H CYS 11 H CYS 657 -0.475 -18.547 -6.282 114 HA CYS 11 HA CYS 657 -2.544 -19.806 -4.687 115 HB2 CYS 11 HB2 CYS 657 0.355 -20.167 -5.378 116 HB3 CYS 11 HB3 CYS 657 -0.269 -21.017 -3.893 117 H GLU 12 H GLU 658 -0.442 -17.077 -4.226 118 HA GLU 12 HA GLU 658 0.607 -16.024 -2.580 119 HB2 GLU 12 HB2 GLU 658 -2.073 -16.649 -1.268 120 HB3 GLU 12 HB3 GLU 658 -0.924 -15.438 -0.638 121 HG2 GLU 12 HG2 GLU 658 -1.039 -14.262 -2.854 122 HG3 GLU 12 HG3 GLU 658 -2.326 -15.366 -3.341 123 H VAL 13 H VAL 659 1.529 -18.390 -2.841 124 HA VAL 13 HA VAL 659 2.580 -19.042 -0.168 125 HB VAL 13 HB VAL 659 0.864 -20.714 -1.218 126 HG11 VAL 13 HG11 VAL 659 1.734 -22.439 -2.630 127 HG12 VAL 13 HG12 VAL 659 1.917 -20.865 -3.439 128 HG13 VAL 13 HG13 VAL 659 3.322 -21.645 -2.723 129 HG21 VAL 13 HG21 VAL 659 2.078 -22.608 -0.185 130 HG22 VAL 13 HG22 VAL 659 3.549 -21.616 -0.089 131 HG23 VAL 13 HG23 VAL 659 2.101 -21.160 0.826 132 H GLN 14 H GLN 660 4.713 -19.020 -0.103 133 HA GLN 14 HA GLN 660 6.315 -18.592 -2.530 134 HB2 GLN 14 HB2 GLN 660 7.041 -18.714 0.387 135 HB3 GLN 14 HB3 GLN 660 8.224 -18.568 -0.920 136 HG2 GLN 14 HG2 GLN 660 7.699 -16.429 0.186 137 HG3 GLN 14 HG3 GLN 660 7.390 -16.408 -1.537 138 HE21 GLN 14 HE21 GLN 660 5.198 -16.041 -2.260 139 HE22 GLN 14 HE22 GLN 660 3.910 -15.691 -1.095 140 H GLU 15 H GLU 661 4.980 -21.356 -1.642 141 HA GLU 15 HA GLU 661 7.018 -23.297 -1.232 142 HB2 GLU 15 HB2 GLU 661 4.662 -23.633 -0.567 143 HB3 GLU 15 HB3 GLU 661 4.187 -23.624 -2.266 144 HG2 GLU 15 HG2 GLU 661 4.239 -25.879 -1.383 145 HG3 GLU 15 HG3 GLU 661 5.414 -25.688 -2.676 146 H GLU 16 H GLU 662 7.588 -24.979 -2.789 147 HA GLU 16 HA GLU 662 7.752 -24.032 -5.488 148 HB2 GLU 16 HB2 GLU 662 9.912 -25.761 -4.844 149 HB3 GLU 16 HB3 GLU 662 9.771 -24.485 -5.975 150 HG2 GLU 16 HG2 GLU 662 11.127 -23.345 -4.726 151 HG3 GLU 16 HG3 GLU 662 9.697 -22.847 -3.895 152 H ASN 17 H ASN 663 6.698 -25.102 -6.445 153 HA ASN 17 HA ASN 663 5.938 -27.905 -6.409 154 HB2 ASN 17 HB2 ASN 663 5.519 -25.755 -8.491 155 HB3 ASN 17 HB3 ASN 663 5.150 -27.431 -8.830 156 HD21 ASN 17 HD21 ASN 663 1.915 -26.344 -7.966 157 HD22 ASN 17 HD22 ASN 663 2.998 -26.513 -9.304 158 H ASP 18 H ASP 664 6.341 -29.262 -8.450 159 HA ASP 18 HA ASP 664 9.075 -29.824 -9.036 160 HB2 ASP 18 HB2 ASP 664 7.209 -31.416 -9.300 161 HB3 ASP 18 HB3 ASP 664 6.546 -30.442 -10.615 162 H PHE 19 H PHE 665 7.030 -27.368 -10.435 163 HA PHE 19 HA PHE 665 9.243 -26.511 -12.128 164 HB2 PHE 19 HB2 PHE 665 7.676 -27.704 -13.716 165 HB3 PHE 19 HB3 PHE 665 6.349 -26.771 -13.080 166 HD1 PHE 19 HD1 PHE 665 5.627 -25.348 -14.768 167 HD2 PHE 19 HD2 PHE 665 9.869 -25.977 -14.188 168 HE1 PHE 19 HE1 PHE 665 6.141 -23.742 -16.588 169 HE2 PHE 19 HE2 PHE 665 10.359 -24.307 -15.922 170 HZ PHE 19 HZ PHE 665 8.486 -23.282 -17.187 171 H MET 20 H MET 666 9.728 -24.375 -12.067 172 HA MET 20 HA MET 666 7.614 -22.495 -11.436 173 HB2 MET 20 HB2 MET 666 10.283 -22.159 -10.088 174 HB3 MET 20 HB3 MET 666 8.952 -21.140 -9.853 175 HG2 MET 20 HG2 MET 666 7.817 -23.419 -9.117 176 HG3 MET 20 HG3 MET 666 9.463 -23.999 -8.946 177 HE1 MET 20 HE1 MET 666 7.691 -20.415 -7.601 178 HE2 MET 20 HE2 MET 666 6.756 -21.893 -7.847 179 HE3 MET 20 HE3 MET 666 7.176 -21.419 -6.196 180 H ILE 21 H ILE 667 7.975 -20.342 -12.189 181 HA ILE 21 HA ILE 667 10.137 -19.982 -14.190 182 HB ILE 21 HB ILE 667 7.364 -18.898 -14.622 183 HG12 ILE 21 HG12 ILE 667 8.260 -21.187 -16.360 184 HG13 ILE 21 HG13 ILE 667 7.691 -21.602 -14.742 185 HG21 ILE 21 HG21 ILE 667 9.422 -19.403 -16.888 186 HG22 ILE 21 HG22 ILE 667 7.844 -18.690 -17.064 187 HG23 ILE 21 HG23 ILE 667 9.074 -17.837 -16.127 188 HD11 ILE 21 HD11 ILE 667 5.865 -21.649 -16.146 189 HD12 ILE 21 HD12 ILE 667 5.692 -20.234 -15.065 190 HD13 ILE 21 HD13 ILE 667 6.193 -20.036 -16.772 191 H GLN 22 H GLN 668 10.585 -17.681 -14.658 192 HA GLN 22 HA GLN 668 9.852 -15.923 -12.323 193 HB2 GLN 22 HB2 GLN 668 12.259 -16.345 -12.334 194 HB3 GLN 22 HB3 GLN 668 12.285 -16.094 -14.106 195 HG2 GLN 22 HG2 GLN 668 12.089 -13.694 -13.913 196 HG3 GLN 22 HG3 GLN 668 11.444 -13.889 -12.305 197 HE21 GLN 22 HE21 GLN 668 13.029 -13.612 -10.532 198 HE22 GLN 22 HE22 GLN 668 14.739 -13.787 -10.848 199 H CYS 23 H CYS 669 8.903 -14.001 -12.632 200 HA CYS 23 HA CYS 669 7.829 -13.180 -15.198 201 HB2 CYS 23 HB2 CYS 669 6.859 -12.675 -12.945 202 HB3 CYS 23 HB3 CYS 669 8.281 -11.724 -12.556 203 H GLU 24 H GLU 670 8.661 -11.929 -16.717 204 HA GLU 24 HA GLU 670 11.473 -11.127 -16.562 205 HB2 GLU 24 HB2 GLU 670 11.142 -10.388 -18.789 206 HB3 GLU 24 HB3 GLU 670 10.362 -11.944 -18.633 207 HG2 GLU 24 HG2 GLU 670 8.478 -10.903 -19.542 208 HG3 GLU 24 HG3 GLU 670 8.291 -10.300 -17.947 209 H GLU 25 H GLU 671 8.553 -9.551 -15.591 210 HA GLU 25 HA GLU 671 9.630 -6.833 -15.990 211 HB2 GLU 25 HB2 GLU 671 7.325 -7.452 -16.482 212 HB3 GLU 25 HB3 GLU 671 7.034 -7.796 -14.835 213 HG2 GLU 25 HG2 GLU 671 6.127 -5.599 -15.662 214 HG3 GLU 25 HG3 GLU 671 7.035 -5.566 -14.164 215 H CYS 26 H CYS 672 8.346 -8.595 -13.164 216 HA CYS 26 HA CYS 672 9.948 -6.856 -11.443 217 HB2 CYS 26 HB2 CYS 672 8.477 -7.363 -9.756 218 HB3 CYS 26 HB3 CYS 672 7.517 -6.819 -11.151 219 H GLN 27 H GLN 673 10.388 -9.881 -12.620 220 HA GLN 27 HA GLN 673 11.754 -11.498 -12.171 221 HB2 GLN 27 HB2 GLN 673 12.729 -9.484 -10.297 222 HB3 GLN 27 HB3 GLN 673 12.948 -10.995 -9.642 223 HG2 GLN 27 HG2 GLN 673 14.864 -11.266 -10.721 224 HG3 GLN 27 HG3 GLN 673 14.047 -11.374 -12.247 225 HE21 GLN 27 HE21 GLN 673 13.398 -9.239 -13.370 226 HE22 GLN 27 HE22 GLN 673 14.601 -7.975 -13.268 227 H CYS 28 H CYS 674 9.046 -11.155 -10.333 228 HA CYS 28 HA CYS 674 9.670 -13.042 -8.296 229 HB2 CYS 28 HB2 CYS 674 7.219 -13.079 -7.953 230 HB3 CYS 28 HB3 CYS 674 7.941 -11.406 -8.083 231 HG CYS 28 HG CYS 674 5.587 -11.355 -9.223 232 H TRP 29 H TRP 675 8.942 -15.171 -7.968 233 HA TRP 29 HA TRP 675 8.882 -16.761 -10.422 234 HB2 TRP 29 HB2 TRP 675 9.896 -17.142 -7.649 235 HB3 TRP 29 HB3 TRP 675 9.635 -18.551 -8.697 236 HD1 TRP 29 HD1 TRP 675 11.807 -15.448 -8.323 237 HE1 TRP 29 HE1 TRP 675 14.063 -15.796 -9.602 238 HE3 TRP 29 HE3 TRP 675 10.635 -19.727 -10.758 239 HZ2 TRP 29 HZ2 TRP 675 15.150 -17.797 -11.312 240 HZ3 TRP 29 HZ3 TRP 675 12.309 -20.826 -12.284 241 HH2 TRP 29 HH2 TRP 675 14.568 -19.889 -12.533 242 H GLN 30 H GLN 676 7.395 -18.461 -10.838 243 HA GLN 30 HA GLN 676 5.236 -18.816 -8.797 244 HB2 GLN 30 HB2 GLN 676 4.809 -18.281 -11.779 245 HB3 GLN 30 HB3 GLN 676 3.547 -18.651 -10.603 246 HG2 GLN 30 HG2 GLN 676 3.363 -16.385 -10.834 247 HG3 GLN 30 HG3 GLN 676 4.217 -16.710 -9.318 248 HE21 GLN 30 HE21 GLN 676 5.270 -14.709 -9.234 249 HE22 GLN 30 HE22 GLN 676 6.512 -14.277 -10.432 250 H HIS 31 H HIS 677 3.863 -20.673 -9.275 251 HA HIS 31 HA HIS 677 5.368 -22.907 -10.455 252 HB2 HIS 31 HB2 HIS 677 2.378 -22.913 -9.870 253 HB3 HIS 31 HB3 HIS 677 3.505 -24.241 -9.916 254 HD2 HIS 31 HD2 HIS 677 5.605 -23.647 -7.971 255 HE1 HIS 31 HE1 HIS 677 2.790 -22.411 -4.996 256 HE2 HIS 31 HE2 HIS 677 5.155 -23.143 -5.373 257 H GLY 32 H GLY 678 5.526 -22.992 -12.666 258 HA2 GLY 32 HA2 GLY 678 4.048 -21.354 -14.318 259 HA3 GLY 32 HA3 GLY 678 4.770 -22.916 -14.879 260 H VAL 33 H VAL 679 3.081 -24.553 -13.269 261 HA VAL 33 HA VAL 679 0.937 -24.893 -15.162 262 HB VAL 33 HB VAL 679 2.130 -26.638 -14.023 263 HG11 VAL 33 HG11 VAL 679 1.489 -27.355 -11.741 264 HG12 VAL 33 HG12 VAL 679 2.170 -25.723 -11.696 265 HG13 VAL 33 HG13 VAL 679 0.413 -25.957 -11.570 266 HG21 VAL 33 HG21 VAL 679 -0.883 -26.812 -13.571 267 HG22 VAL 33 HG22 VAL 679 -0.040 -27.097 -15.113 268 HG23 VAL 33 HG23 VAL 679 0.248 -28.169 -13.735 269 H CYS 34 H CYS 680 1.161 -22.942 -12.319 270 HA CYS 34 HA CYS 680 -1.717 -22.552 -11.783 271 HB2 CYS 34 HB2 CYS 680 0.781 -21.170 -10.801 272 HB3 CYS 34 HB3 CYS 680 -0.822 -20.786 -10.339 273 H MET 35 H MET 681 0.878 -21.174 -13.677 274 HA MET 35 HA MET 681 -0.488 -18.622 -14.345 275 HB2 MET 35 HB2 MET 681 2.309 -19.688 -14.871 276 HB3 MET 35 HB3 MET 681 1.743 -18.090 -15.228 277 HG2 MET 35 HG2 MET 681 1.705 -19.064 -12.374 278 HG3 MET 35 HG3 MET 681 3.118 -18.330 -13.131 279 HE1 MET 35 HE1 MET 681 -0.746 -17.707 -12.466 280 HE2 MET 35 HE2 MET 681 0.152 -17.450 -10.949 281 HE3 MET 35 HE3 MET 681 -0.618 -16.078 -11.781 282 H GLY 36 H GLY 682 -0.242 -21.770 -15.704 283 HA2 GLY 36 HA2 GLY 682 -1.104 -22.601 -17.658 284 HA3 GLY 36 HA3 GLY 682 -1.337 -20.968 -18.299 285 H LEU 37 H LEU 683 1.711 -22.128 -16.964 286 HA LEU 37 HA LEU 683 2.782 -22.523 -19.693 287 HB2 LEU 37 HB2 LEU 683 4.483 -21.267 -17.618 288 HB3 LEU 37 HB3 LEU 683 4.717 -21.139 -19.325 289 HG LEU 37 HG LEU 683 2.264 -19.690 -18.459 290 HD11 LEU 37 HD11 LEU 683 3.137 -18.006 -17.153 291 HD12 LEU 37 HD12 LEU 683 3.791 -19.449 -16.376 292 HD13 LEU 37 HD13 LEU 683 4.822 -18.451 -17.427 293 HD21 LEU 37 HD21 LEU 683 3.520 -19.430 -20.569 294 HD22 LEU 37 HD22 LEU 683 3.373 -17.917 -19.636 295 HD23 LEU 37 HD23 LEU 683 4.927 -18.827 -19.609 296 H LEU 38 H LEU 684 4.757 -23.823 -19.705 297 HA LEU 38 HA LEU 684 5.260 -25.706 -17.549 298 HB2 LEU 38 HB2 LEU 684 3.956 -26.168 -20.238 299 HB3 LEU 38 HB3 LEU 684 5.338 -27.162 -19.898 300 HG LEU 38 HG LEU 684 3.021 -28.052 -19.356 301 HD11 LEU 38 HD11 LEU 684 5.211 -29.044 -18.832 302 HD12 LEU 38 HD12 LEU 684 5.299 -28.108 -17.335 303 HD13 LEU 38 HD13 LEU 684 4.045 -29.367 -17.517 304 HD21 LEU 38 HD21 LEU 684 2.076 -27.701 -17.209 305 HD22 LEU 38 HD22 LEU 684 3.343 -26.552 -16.752 306 HD23 LEU 38 HD23 LEU 684 2.187 -26.142 -18.043 307 H GLU 39 H GLU 685 7.383 -26.830 -18.072 308 HA GLU 39 HA GLU 685 9.366 -25.075 -19.101 309 HB2 GLU 39 HB2 GLU 685 10.759 -27.136 -19.219 310 HB3 GLU 39 HB3 GLU 685 10.093 -26.837 -17.620 311 HG2 GLU 39 HG2 GLU 685 9.988 -29.142 -17.927 312 HG3 GLU 39 HG3 GLU 685 8.348 -28.521 -17.928 313 H GLU 40 H GLU 686 7.256 -27.268 -20.841 314 HA GLU 40 HA GLU 686 8.708 -27.109 -23.340 315 HB2 GLU 40 HB2 GLU 686 6.529 -27.565 -24.463 316 HB3 GLU 40 HB3 GLU 686 7.105 -28.811 -23.348 317 HG2 GLU 40 HG2 GLU 686 5.455 -28.338 -21.774 318 HG3 GLU 40 HG3 GLU 686 5.074 -26.740 -22.464 319 H ASN 41 H ASN 687 6.306 -24.933 -21.878 320 HA ASN 41 HA ASN 687 6.216 -23.340 -24.393 321 HB2 ASN 41 HB2 ASN 687 4.541 -23.154 -21.907 322 HB3 ASN 41 HB3 ASN 687 4.242 -22.300 -23.354 323 HD21 ASN 41 HD21 ASN 687 1.828 -25.022 -23.204 324 HD22 ASN 41 HD22 ASN 687 2.219 -23.709 -22.144 325 H VAL 42 H VAL 688 8.182 -23.068 -21.701 326 HA VAL 42 HA VAL 688 7.794 -20.551 -20.603 327 HB VAL 42 HB VAL 688 10.463 -21.841 -21.169 328 HG11 VAL 42 HG11 VAL 688 11.411 -20.384 -19.484 329 HG12 VAL 42 HG12 VAL 688 10.787 -19.395 -20.771 330 HG13 VAL 42 HG13 VAL 688 9.845 -19.542 -19.279 331 HG21 VAL 42 HG21 VAL 688 8.921 -21.712 -18.622 332 HG22 VAL 42 HG22 VAL 688 8.827 -23.066 -19.775 333 HG23 VAL 42 HG23 VAL 688 10.371 -22.693 -19.068 334 HA PRO 43 HA PRO 689 8.590 -18.044 -24.276 335 HB2 PRO 43 HB2 PRO 689 7.314 -15.777 -23.430 336 HB3 PRO 43 HB3 PRO 689 6.393 -17.220 -23.929 337 HG2 PRO 43 HG2 PRO 689 7.123 -16.309 -21.163 338 HG3 PRO 43 HG3 PRO 689 5.522 -16.839 -21.758 339 HD2 PRO 43 HD2 PRO 689 7.260 -18.538 -20.433 340 HD3 PRO 43 HD3 PRO 689 6.197 -19.121 -21.678 341 H GLU 44 H GLU 690 9.591 -15.842 -24.591 342 HA GLU 44 HA GLU 690 11.997 -15.643 -22.876 343 HB2 GLU 44 HB2 GLU 690 11.119 -14.460 -25.497 344 HB3 GLU 44 HB3 GLU 690 12.233 -13.502 -24.545 345 HG2 GLU 44 HG2 GLU 690 12.858 -16.408 -25.223 346 HG3 GLU 44 HG3 GLU 690 13.191 -15.078 -26.319 347 H LYS 45 H LYS 691 8.944 -13.929 -23.436 348 HA LYS 45 HA LYS 691 9.430 -12.449 -20.915 349 HB2 LYS 45 HB2 LYS 691 8.200 -11.407 -23.485 350 HB3 LYS 45 HB3 LYS 691 8.011 -10.686 -21.929 351 HG2 LYS 45 HG2 LYS 691 10.525 -10.428 -21.748 352 HG3 LYS 45 HG3 LYS 691 10.658 -10.957 -23.435 353 HD2 LYS 45 HD2 LYS 691 9.223 -9.090 -24.167 354 HD3 LYS 45 HD3 LYS 691 9.009 -8.563 -22.501 355 HE2 LYS 45 HE2 LYS 691 11.597 -8.499 -24.131 356 HE3 LYS 45 HE3 LYS 691 10.597 -7.139 -23.645 357 HZ1 LYS 45 HZ1 LYS 691 11.075 -7.917 -21.246 358 HZ2 LYS 45 HZ2 LYS 691 12.287 -8.811 -21.887 359 HZ3 LYS 45 HZ3 LYS 691 12.315 -7.193 -22.063 360 H TYR 46 H TYR 692 8.393 -14.229 -19.978 361 HA TYR 46 HA TYR 692 5.421 -14.083 -20.132 362 HB2 TYR 46 HB2 TYR 692 5.806 -16.231 -19.413 363 HB3 TYR 46 HB3 TYR 692 7.366 -15.888 -18.732 364 HD1 TYR 46 HD1 TYR 692 3.704 -15.613 -18.128 365 HD2 TYR 46 HD2 TYR 692 7.678 -15.558 -16.485 366 HE1 TYR 46 HE1 TYR 692 2.756 -15.451 -15.787 367 HE2 TYR 46 HE2 TYR 692 6.742 -15.554 -14.177 368 HH TYR 46 HH TYR 692 4.871 -15.678 -12.979 369 H THR 47 H THR 693 4.254 -12.647 -19.188 370 HA THR 47 HA THR 693 5.260 -10.974 -16.954 371 HB THR 47 HB THR 693 2.974 -9.925 -17.352 372 HG1 THR 47 HG1 THR 693 2.394 -10.054 -19.645 373 HG21 THR 47 HG21 THR 693 3.833 -8.375 -18.990 374 HG22 THR 47 HG22 THR 693 5.065 -8.790 -17.778 375 HG23 THR 47 HG23 THR 693 5.146 -9.519 -19.408 376 H CYS 48 H CYS 694 4.494 -11.213 -14.949 377 HA CYS 48 HA CYS 694 2.679 -13.425 -14.339 378 HB2 CYS 48 HB2 CYS 694 3.533 -13.208 -12.150 379 HB3 CYS 48 HB3 CYS 694 4.881 -12.687 -13.049 380 H TYR 49 H TYR 695 0.607 -13.267 -13.465 381 HA TYR 49 HA TYR 695 -1.231 -11.357 -13.801 382 HB2 TYR 49 HB2 TYR 695 -2.344 -12.207 -12.088 383 HB3 TYR 49 HB3 TYR 695 -1.446 -13.567 -12.718 384 HD1 TYR 49 HD1 TYR 695 1.009 -13.903 -11.477 385 HD2 TYR 49 HD2 TYR 695 -2.500 -12.064 -9.738 386 HE1 TYR 49 HE1 TYR 695 1.915 -14.289 -9.225 387 HE2 TYR 49 HE2 TYR 695 -1.574 -12.471 -7.464 388 HH TYR 49 HH TYR 695 0.239 -13.207 -6.236 389 H VAL 50 H VAL 696 1.031 -11.101 -10.980 390 HA VAL 50 HA VAL 696 -0.071 -8.719 -9.962 391 HB VAL 50 HB VAL 696 2.428 -10.286 -9.578 392 HG11 VAL 50 HG11 VAL 696 3.540 -8.169 -9.882 393 HG12 VAL 50 HG12 VAL 696 2.448 -7.391 -8.698 394 HG13 VAL 50 HG13 VAL 696 3.583 -8.662 -8.191 395 HG21 VAL 50 HG21 VAL 696 1.883 -10.218 -7.284 396 HG22 VAL 50 HG22 VAL 696 0.726 -8.874 -7.530 397 HG23 VAL 50 HG23 VAL 696 0.385 -10.487 -8.185 398 H CYS 51 H CYS 697 2.134 -9.110 -12.680 399 HA CYS 51 HA CYS 697 2.287 -6.205 -13.129 400 HB2 CYS 51 HB2 CYS 697 3.572 -8.487 -14.619 401 HB3 CYS 51 HB3 CYS 697 3.773 -6.780 -14.966 402 H GLN 52 H GLN 698 1.340 -9.216 -15.137 403 HA GLN 52 HA GLN 698 -0.144 -7.397 -16.852 404 HB2 GLN 52 HB2 GLN 698 -0.869 -9.477 -17.970 405 HB3 GLN 52 HB3 GLN 698 0.857 -9.249 -17.962 406 HG2 GLN 52 HG2 GLN 698 1.184 -11.139 -16.847 407 HG3 GLN 52 HG3 GLN 698 -0.081 -10.885 -15.722 408 HE21 GLN 52 HE21 GLN 698 0.685 -12.495 -18.794 409 HE22 GLN 52 HE22 GLN 698 -0.865 -13.317 -18.881 410 H ASP 53 H ASP 699 -1.425 -9.861 -14.562 411 HA ASP 53 HA ASP 699 -3.829 -8.398 -14.155 412 HB2 ASP 53 HB2 ASP 699 -4.235 -9.124 -16.535 413 HB3 ASP 53 HB3 ASP 699 -4.212 -10.782 -16.039 414 H1 ALA 1 H1 ALA 1 11.875 -14.641 -20.074 415 H2 ALA 1 H2 ALA 1 12.343 -16.201 -20.285 416 H3 ALA 1 H3 ALA 1 13.333 -15.137 -19.526 417 HA ALA 1 HA ALA 1 11.707 -14.904 -17.685 418 HB1 ALA 1 HB1 ALA 1 9.673 -15.495 -19.001 419 HB2 ALA 1 HB2 ALA 1 10.210 -17.183 -19.110 420 HB3 ALA 1 HB3 ALA 1 9.830 -16.488 -17.553 421 H ARG 2 H ARG 2 13.234 -15.756 -16.132 422 HA ARG 2 HA ARG 2 14.916 -18.035 -16.564 423 HB2 ARG 2 HB2 ARG 2 14.878 -15.987 -14.779 424 HB3 ARG 2 HB3 ARG 2 14.232 -17.259 -13.745 425 HG2 ARG 2 HG2 ARG 2 16.159 -18.574 -13.878 426 HG3 ARG 2 HG3 ARG 2 16.891 -17.537 -15.115 427 HD2 ARG 2 HD2 ARG 2 15.989 -16.244 -12.506 428 HD3 ARG 2 HD3 ARG 2 17.428 -17.262 -12.468 429 HE ARG 2 HE ARG 2 18.007 -15.706 -14.608 430 HH11 ARG 2 HH11 ARG 2 16.921 -14.687 -11.381 431 HH12 ARG 2 HH12 ARG 2 17.779 -13.203 -11.501 432 HH21 ARG 2 HH21 ARG 2 19.049 -13.753 -14.659 433 HH22 ARG 2 HH22 ARG 2 18.935 -12.675 -13.302 434 H THR 3 H THR 3 14.887 -20.163 -15.592 435 HA THR 3 HA THR 3 12.385 -21.074 -14.308 436 HB THR 3 HB THR 3 12.478 -23.140 -15.889 437 HG1 THR 3 HG1 THR 3 14.182 -22.523 -17.224 438 HG21 THR 3 HG21 THR 3 10.599 -21.510 -15.527 439 HG22 THR 3 HG22 THR 3 11.262 -20.523 -16.844 440 HG23 THR 3 HG23 THR 3 10.664 -22.173 -17.108 441 H MLY 4 H MLY 4 12.386 -23.111 -13.333 442 HA MLY 4 HA MLY 4 14.960 -24.405 -12.794 443 HB2 MLY 4 HB2 MLY 4 14.890 -23.935 -10.394 444 HB3 MLY 4 HB3 MLY 4 14.761 -22.397 -11.254 445 HG2 MLY 4 HG2 MLY 4 12.222 -22.697 -11.040 446 HG3 MLY 4 HG3 MLY 4 12.561 -23.959 -9.859 447 HD2 MLY 4 HD2 MLY 4 13.857 -21.219 -9.532 448 HD3 MLY 4 HD3 MLY 4 12.154 -21.413 -9.151 449 HE2 MLY 4 HE2 MLY 4 12.679 -23.242 -7.530 450 HE3 MLY 4 HE3 MLY 4 14.389 -23.094 -7.944 451 HH11 MLY 4 HH11 MLY 4 12.491 -20.037 -5.677 452 HH12 MLY 4 HH12 MLY 4 11.996 -20.169 -7.358 453 HH13 MLY 4 HH13 MLY 4 11.549 -21.441 -6.203 454 HH21 MLY 4 HH21 MLY 4 14.293 -21.335 -4.764 455 HH22 MLY 4 HH22 MLY 4 13.441 -22.840 -5.161 456 HH23 MLY 4 HH23 MLY 4 15.103 -22.580 -5.719 457 HZ MLY 4 HZ MLY 4 14.316 -20.792 -7.125 458 H GLN 5 H GLN 5 14.729 -26.352 -11.487 459 HA GLN 5 HA GLN 5 12.014 -27.436 -11.078 460 HB2 GLN 5 HB2 GLN 5 14.175 -29.010 -12.534 461 HB3 GLN 5 HB3 GLN 5 12.594 -29.587 -12.042 462 HG2 GLN 5 HG2 GLN 5 11.757 -27.577 -13.606 463 HG3 GLN 5 HG3 GLN 5 13.347 -27.771 -14.331 464 HE21 GLN 5 HE21 GLN 5 10.487 -29.739 -13.240 465 HE22 GLN 5 HE22 GLN 5 10.544 -30.834 -14.614 466 H THR 6 H THR 6 11.940 -29.116 -9.482 467 HA THR 6 HA THR 6 14.100 -29.042 -7.488 468 HB THR 6 HB THR 6 12.598 -30.453 -6.140 469 HG1 THR 6 HG1 THR 6 10.597 -30.999 -6.880 470 HG21 THR 6 HG21 THR 6 10.825 -28.818 -5.765 471 HG22 THR 6 HG22 THR 6 12.373 -27.993 -6.019 472 HG23 THR 6 HG23 THR 6 11.164 -28.039 -7.323 473 H ALA 7 H ALA 7 14.934 -30.971 -6.509 474 HA ALA 7 HA ALA 7 16.168 -32.799 -6.443 475 HB1 ALA 7 HB1 ALA 7 15.246 -34.893 -7.257 476 HB2 ALA 7 HB2 ALA 7 13.958 -33.864 -6.597 477 HB3 ALA 7 HB3 ALA 7 14.159 -34.028 -8.354 478 H ARG 8 H ARG 8 17.704 -34.234 -7.390 479 HA ARG 8 HA ARG 8 18.712 -33.531 -10.123 480 HB2 ARG 8 HB2 ARG 8 20.337 -33.491 -7.544 481 HB3 ARG 8 HB3 ARG 8 21.015 -33.324 -9.159 482 HG2 ARG 8 HG2 ARG 8 19.076 -31.353 -7.881 483 HG3 ARG 8 HG3 ARG 8 20.820 -31.176 -7.971 484 HD2 ARG 8 HD2 ARG 8 20.753 -31.139 -10.419 485 HD3 ARG 8 HD3 ARG 8 19.011 -31.371 -10.421 486 HE ARG 8 HE ARG 8 20.506 -28.923 -9.694 487 HH11 ARG 8 HH11 ARG 8 17.302 -30.384 -9.836 488 HH12 ARG 8 HH12 ARG 8 16.508 -28.825 -9.748 489 HH21 ARG 8 HH21 ARG 8 19.398 -26.989 -9.578 490 HH22 ARG 8 HH22 ARG 8 17.658 -26.987 -9.598 491 H LYS 9 H LYS 9 17.306 -35.857 -9.207 492 HA LYS 9 HA LYS 9 19.157 -38.095 -8.894 493 HB2 LYS 9 HB2 LYS 9 16.171 -37.983 -9.524 494 HB3 LYS 9 HB3 LYS 9 17.073 -39.472 -9.244 495 HG2 LYS 9 HG2 LYS 9 17.676 -38.702 -6.957 496 HG3 LYS 9 HG3 LYS 9 16.808 -37.193 -7.231 497 HD2 LYS 9 HD2 LYS 9 15.394 -38.639 -5.922 498 HD3 LYS 9 HD3 LYS 9 14.692 -38.416 -7.519 499 HE2 LYS 9 HE2 LYS 9 14.379 -40.696 -6.923 500 HE3 LYS 9 HE3 LYS 9 15.587 -40.665 -8.207 501 HZ1 LYS 9 HZ1 LYS 9 16.217 -42.162 -6.380 502 HZ2 LYS 9 HZ2 LYS 9 17.312 -40.957 -6.470 503 HZ3 LYS 9 HZ3 LYS 9 16.173 -40.951 -5.290 504 H SER 10 H SER 10 19.375 -39.873 -10.333 505 HA SER 10 HA SER 10 18.972 -39.410 -13.244 506 HB2 SER 10 HB2 SER 10 21.648 -40.126 -11.982 507 HB3 SER 10 HB3 SER 10 21.312 -40.059 -13.718 508 HG SER 10 HG SER 10 20.992 -37.839 -13.570 509 H THR 11 H THR 11 19.176 -41.310 -14.537 510 HA THR 11 HA THR 11 18.265 -43.804 -13.286 511 HB THR 11 HB THR 11 18.964 -43.136 -16.167 512 HG1 THR 11 HG1 THR 11 17.122 -42.089 -15.295 513 HG21 THR 11 HG21 THR 11 19.175 -45.558 -15.863 514 HG22 THR 11 HG22 THR 11 17.633 -45.610 -14.976 515 HG23 THR 11 HG23 THR 11 17.668 -45.200 -16.709 516 HN1 NH2 12 H01 THR 11 21.185 -42.901 -15.131 517 HN2 NH2 12 H02 THR 11 22.162 -44.184 -14.453
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