NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
565109 | 2m85 | 19229 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PHE 652 HT1 PHE 652 1.937 -1.835 -1.031 2 HA PHE 652 HA PHE 652 1.347 0.975 -1.735 3 HB2 PHE 652 HB2 PHE 652 3.802 -0.721 -2.399 4 HB3 PHE 652 HB1 PHE 652 3.535 0.946 -2.901 5 HD1 PHE 652 HD2 PHE 652 3.312 2.740 -1.041 6 HD2 PHE 652 HD1 PHE 652 4.892 -1.174 -0.327 7 HE1 PHE 652 HE2 PHE 652 4.400 3.549 1.014 8 HE2 PHE 652 HE1 PHE 652 5.968 -0.355 1.730 9 HZ PHE 652 HZ PHE 652 5.728 2.006 2.400 10 H ASN 653 HN ASN 653 -0.100 0.988 -3.364 11 HA ASN 653 HA ASN 653 -0.657 -1.405 -4.943 12 HB2 ASN 653 HB2 ASN 653 -1.995 1.337 -4.879 13 HB3 ASN 653 HB1 ASN 653 -2.577 -0.041 -5.817 14 HD21 ASN 653 HD21 ASN 653 -3.399 -1.853 -4.722 15 HD22 ASN 653 HD22 ASN 653 -3.977 -1.739 -3.095 16 H THR 654 HN THR 654 0.516 -1.782 -6.724 17 HA THR 654 HA THR 654 1.455 0.449 -8.436 18 HB THR 654 HB THR 654 3.132 -1.197 -9.306 19 HG1 THR 654 HG1 THR 654 2.428 -2.912 -7.151 20 HG21 THR 654 HG21 THR 654 3.775 0.298 -7.424 21 HG22 THR 654 HG22 THR 654 4.605 -1.255 -7.355 22 HG23 THR 654 HG23 THR 654 3.245 -0.938 -6.277 23 H SER 655 HN SER 655 0.257 -2.918 -8.551 24 HA SER 655 HA SER 655 -1.640 -2.306 -10.678 25 HB2 SER 655 HB2 SER 655 0.412 -4.553 -10.997 26 HB3 SER 655 HB1 SER 655 -0.904 -4.177 -12.107 27 HG SER 655 HG SER 655 1.355 -2.554 -11.510 28 H ASP 656 HN ASP 656 -3.388 -2.857 -9.429 29 HA ASP 656 HA ASP 656 -3.507 -5.073 -7.624 30 HB2 ASP 656 HB2 ASP 656 -5.696 -3.374 -8.892 31 HB3 ASP 656 HB1 ASP 656 -6.025 -4.621 -7.693 32 H TYR 657 HN TYR 657 -4.158 -7.129 -7.938 33 HA TYR 657 HA TYR 657 -4.183 -8.105 -10.698 34 HB2 TYR 657 HB2 TYR 657 -3.867 -9.607 -8.056 35 HB3 TYR 657 HB1 TYR 657 -3.705 -10.323 -9.658 36 HD1 TYR 657 HD2 TYR 657 -1.787 -9.572 -11.158 37 HD2 TYR 657 HD1 TYR 657 -1.999 -8.439 -7.044 38 HE1 TYR 657 HE2 TYR 657 0.597 -8.985 -11.198 39 HE2 TYR 657 HE1 TYR 657 0.388 -7.843 -7.084 40 HH TYR 657 HH TYR 657 2.205 -7.661 -10.013 41 H ARG 658 HN ARG 658 -6.486 -7.013 -10.564 42 HA ARG 658 HA ARG 658 -8.467 -9.186 -10.162 43 HB2 ARG 658 HB2 ARG 658 -8.808 -6.159 -10.241 44 HB3 ARG 658 HB1 ARG 658 -10.163 -7.226 -10.574 45 HG2 ARG 658 HG2 ARG 658 -10.313 -6.543 -8.288 46 HG3 ARG 658 HG1 ARG 658 -9.873 -8.248 -8.311 47 HD2 ARG 658 HD2 ARG 658 -7.533 -7.652 -7.825 48 HD3 ARG 658 HD1 ARG 658 -7.959 -5.936 -7.836 49 HE ARG 658 HE ARG 658 -8.931 -7.931 -5.872 50 HH11 ARG 658 HH11 ARG 658 -8.105 -4.596 -6.634 51 HH12 ARG 658 HH12 ARG 658 -8.424 -4.030 -5.026 52 HH21 ARG 658 HH21 ARG 658 -9.359 -7.173 -3.767 53 HH22 ARG 658 HH22 ARG 658 -9.135 -5.492 -3.395 54 H PHE 659 HN PHE 659 -8.824 -10.276 -11.972 55 HA PHE 659 HA PHE 659 -8.816 -8.956 -14.595 56 HB2 PHE 659 HB2 PHE 659 -7.542 -11.116 -15.427 57 HB3 PHE 659 HB1 PHE 659 -6.641 -9.787 -14.718 58 HD1 PHE 659 HD1 PHE 659 -7.845 -13.238 -14.142 59 HD2 PHE 659 HD2 PHE 659 -5.500 -10.033 -12.582 60 HE1 PHE 659 HE1 PHE 659 -6.864 -14.762 -12.483 61 HE2 PHE 659 HE2 PHE 659 -4.523 -11.563 -10.929 62 HZ PHE 659 HZ PHE 659 -5.203 -13.927 -10.873 63 H GLU 660 HN GLU 660 -10.765 -9.240 -15.329 64 HA GLU 660 HA GLU 660 -12.001 -11.820 -15.691 65 HB2 GLU 660 HB2 GLU 660 -12.608 -11.268 -13.317 66 HB3 GLU 660 HB1 GLU 660 -13.347 -9.770 -13.859 67 HG2 GLU 660 HG2 GLU 660 -15.051 -11.033 -15.094 68 HG3 GLU 660 HG1 GLU 660 -14.280 -12.552 -14.637 69 H CYS 661 HN CYS 661 -13.935 -11.633 -17.101 70 HA CYS 661 HA CYS 661 -13.763 -9.545 -19.002 71 HB2 CYS 661 HB2 CYS 661 -14.645 -11.799 -19.560 72 HB3 CYS 661 HB1 CYS 661 -16.112 -11.423 -18.644 73 H ILE 662 HN ILE 662 -15.013 -7.755 -19.362 74 HA ILE 662 HA ILE 662 -15.735 -6.289 -17.083 75 HB ILE 662 HB ILE 662 -16.493 -4.508 -18.708 76 HG12 ILE 662 HG12 ILE 662 -15.699 -6.543 -20.849 77 HG13 ILE 662 HG11 ILE 662 -17.352 -6.074 -20.484 78 HG21 ILE 662 HG21 ILE 662 -14.136 -4.602 -18.019 79 HG22 ILE 662 HG22 ILE 662 -14.258 -4.107 -19.711 80 HG23 ILE 662 HG23 ILE 662 -13.789 -5.758 -19.310 81 HD11 ILE 662 HD11 ILE 662 -16.906 -3.823 -21.225 82 HD12 ILE 662 HD12 ILE 662 -16.495 -4.999 -22.472 83 HD13 ILE 662 HD13 ILE 662 -15.216 -4.237 -21.531 84 H CYS 663 HN CYS 663 -17.800 -8.447 -18.882 85 HA CYS 663 HA CYS 663 -20.290 -7.152 -18.093 86 HB2 CYS 663 HB2 CYS 663 -21.453 -9.098 -19.087 87 HB3 CYS 663 HB1 CYS 663 -20.300 -8.393 -20.206 88 H GLY 664 HN GLY 664 -18.181 -9.618 -16.871 89 HA2 GLY 664 HA2 GLY 664 -18.058 -10.671 -14.839 90 HA3 GLY 664 HA1 GLY 664 -19.313 -9.595 -14.261 91 H GLU 665 HN GLU 665 -19.602 -11.901 -16.939 92 HA GLU 665 HA GLU 665 -21.790 -13.297 -15.533 93 HB2 GLU 665 HB2 GLU 665 -20.989 -13.527 -18.469 94 HB3 GLU 665 HB1 GLU 665 -22.454 -14.151 -17.721 95 HG2 GLU 665 HG2 GLU 665 -21.742 -11.228 -18.106 96 HG3 GLU 665 HG1 GLU 665 -22.914 -12.150 -19.041 97 H LEU 666 HN LEU 666 -19.456 -14.492 -17.959 98 HA LEU 666 HA LEU 666 -18.257 -16.435 -16.101 99 HB2 LEU 666 HB2 LEU 666 -19.529 -17.132 -18.798 100 HB3 LEU 666 HB1 LEU 666 -18.396 -18.193 -17.980 101 HG LEU 666 HG LEU 666 -21.145 -17.408 -16.925 102 HD11 LEU 666 HD11 LEU 666 -21.759 -19.758 -17.365 103 HD12 LEU 666 HD12 LEU 666 -20.173 -20.044 -18.085 104 HD13 LEU 666 HD13 LEU 666 -21.303 -18.923 -18.847 105 HD21 LEU 666 HD21 LEU 666 -19.579 -17.778 -15.072 106 HD22 LEU 666 HD22 LEU 666 -19.090 -19.328 -15.760 107 HD23 LEU 666 HD23 LEU 666 -20.736 -19.104 -15.164 108 H ASP 667 HN ASP 667 -16.401 -17.596 -17.453 109 HA ASP 667 HA ASP 667 -15.609 -16.289 -19.913 110 HB2 ASP 667 HB2 ASP 667 -13.806 -16.226 -17.465 111 HB3 ASP 667 HB1 ASP 667 -13.072 -16.406 -19.053 112 H GLN 668 HN GLN 668 -16.339 -18.194 -20.803 113 HA GLN 668 HA GLN 668 -14.406 -20.306 -21.011 114 HB2 GLN 668 HB2 GLN 668 -16.019 -22.151 -20.433 115 HB3 GLN 668 HB1 GLN 668 -15.490 -21.200 -19.049 116 HG2 GLN 668 HG2 GLN 668 -17.638 -19.962 -19.062 117 HG3 GLN 668 HG1 GLN 668 -18.172 -20.909 -20.452 118 HE21 GLN 668 HE21 GLN 668 -17.548 -20.969 -17.007 119 HE22 GLN 668 HE22 GLN 668 -18.355 -22.463 -16.688 120 H ILE 669 HN ILE 669 -14.561 -21.285 -22.974 121 HA ILE 669 HA ILE 669 -16.022 -19.778 -24.959 122 HB ILE 669 HB ILE 669 -14.168 -22.178 -25.389 123 HG12 ILE 669 HG12 ILE 669 -13.552 -19.179 -25.439 124 HG13 ILE 669 HG11 ILE 669 -12.990 -20.327 -24.230 125 HG21 ILE 669 HG21 ILE 669 -15.584 -21.769 -27.371 126 HG22 ILE 669 HG22 ILE 669 -13.909 -21.350 -27.716 127 HG23 ILE 669 HG23 ILE 669 -15.088 -20.076 -27.398 128 HD11 ILE 669 HD11 ILE 669 -11.230 -19.742 -25.782 129 HD12 ILE 669 HD12 ILE 669 -12.205 -20.287 -27.145 130 HD13 ILE 669 HD13 ILE 669 -11.638 -21.450 -25.944 131 H ASP 670 HN ASP 670 -16.603 -22.695 -23.258 132 HA ASP 670 HA ASP 670 -18.315 -24.189 -24.808 133 HB2 ASP 670 HB2 ASP 670 -17.742 -24.888 -22.551 134 HB3 ASP 670 HB1 ASP 670 -18.523 -23.474 -21.855 135 H ARG 671 HN ARG 671 -19.204 -21.387 -22.793 136 HA ARG 671 HA ARG 671 -21.838 -21.195 -24.080 137 HB2 ARG 671 HB2 ARG 671 -21.639 -21.140 -21.559 138 HB3 ARG 671 HB1 ARG 671 -20.765 -19.618 -21.696 139 HG2 ARG 671 HG2 ARG 671 -23.135 -19.264 -21.117 140 HG3 ARG 671 HG1 ARG 671 -22.742 -18.539 -22.679 141 HD2 ARG 671 HD2 ARG 671 -24.935 -19.692 -22.720 142 HD3 ARG 671 HD1 ARG 671 -23.802 -20.427 -23.854 143 HE ARG 671 HE ARG 671 -24.574 -21.559 -21.221 144 HH11 ARG 671 HH11 ARG 671 -23.437 -22.089 -24.504 145 HH12 ARG 671 HH12 ARG 671 -23.533 -23.811 -24.376 146 HH21 ARG 671 HH21 ARG 671 -24.668 -23.831 -21.082 147 HH22 ARG 671 HH22 ARG 671 -24.214 -24.796 -22.452 148 H LYS 672 HN LYS 672 -19.233 -18.932 -23.100 149 HA LYS 672 HA LYS 672 -19.751 -17.333 -25.540 150 HB2 LYS 672 HB2 LYS 672 -19.205 -16.279 -22.735 151 HB3 LYS 672 HB1 LYS 672 -19.207 -15.288 -24.190 152 HG2 LYS 672 HG2 LYS 672 -21.584 -16.816 -23.081 153 HG3 LYS 672 HG1 LYS 672 -21.313 -15.082 -22.909 154 HD2 LYS 672 HD2 LYS 672 -21.766 -16.565 -25.534 155 HD3 LYS 672 HD1 LYS 672 -22.967 -15.593 -24.684 156 HE2 LYS 672 HE2 LYS 672 -21.538 -13.579 -25.013 157 HE3 LYS 672 HE1 LYS 672 -20.372 -14.569 -25.894 158 HZ1 LYS 672 HZ1 LYS 672 -21.812 -13.389 -27.406 159 HZ2 LYS 672 HZ2 LYS 672 -23.184 -14.071 -26.692 160 HZ3 LYS 672 HZ3 LYS 672 -22.098 -15.054 -27.528 161 HA PRO 673 HA PRO 673 -15.444 -18.329 -26.140 162 HB2 PRO 673 HB2 PRO 673 -14.870 -16.514 -28.164 163 HB3 PRO 673 HB1 PRO 673 -15.708 -18.041 -28.415 164 HG2 PRO 673 HG2 PRO 673 -16.848 -15.282 -28.131 165 HG3 PRO 673 HG1 PRO 673 -17.320 -16.586 -29.247 166 HD2 PRO 673 HD2 PRO 673 -18.730 -16.022 -26.986 167 HD3 PRO 673 HD1 PRO 673 -18.603 -17.674 -27.617 168 H ARG 674 HN ARG 674 -13.363 -17.504 -25.512 169 HA ARG 674 HA ARG 674 -13.381 -14.807 -24.328 170 HB2 ARG 674 HB2 ARG 674 -12.355 -15.591 -22.255 171 HB3 ARG 674 HB1 ARG 674 -13.919 -16.358 -22.499 172 HG2 ARG 674 HG2 ARG 674 -12.947 -18.471 -22.979 173 HG3 ARG 674 HG1 ARG 674 -11.356 -17.768 -23.281 174 HD2 ARG 674 HD2 ARG 674 -11.269 -17.123 -20.834 175 HD3 ARG 674 HD1 ARG 674 -12.751 -18.054 -20.606 176 HE ARG 674 HE ARG 674 -10.694 -19.587 -21.866 177 HH11 ARG 674 HH11 ARG 674 -11.783 -18.471 -18.711 178 HH12 ARG 674 HH12 ARG 674 -10.957 -19.730 -17.855 179 HH21 ARG 674 HH21 ARG 674 -9.645 -21.240 -20.728 180 HH22 ARG 674 HH22 ARG 674 -9.750 -21.294 -18.996 181 H VAL 675 HN VAL 675 -11.628 -13.652 -24.550 182 HA VAL 675 HA VAL 675 -9.173 -14.767 -25.720 183 HB VAL 675 HB VAL 675 -8.623 -12.426 -26.354 184 HG11 VAL 675 HG11 VAL 675 -10.395 -12.132 -28.079 185 HG12 VAL 675 HG12 VAL 675 -11.377 -13.341 -27.251 186 HG13 VAL 675 HG13 VAL 675 -9.832 -13.800 -27.962 187 HG21 VAL 675 HG21 VAL 675 -10.286 -10.602 -26.142 188 HG22 VAL 675 HG22 VAL 675 -9.791 -11.185 -24.552 189 HG23 VAL 675 HG23 VAL 675 -11.350 -11.669 -25.219 190 H GLN 676 HN GLN 676 -7.444 -14.975 -24.491 191 HA GLN 676 HA GLN 676 -7.284 -13.832 -21.797 192 HB2 GLN 676 HB2 GLN 676 -5.595 -15.942 -23.224 193 HB3 GLN 676 HB1 GLN 676 -5.201 -15.315 -21.630 194 HG2 GLN 676 HG2 GLN 676 -6.303 -17.458 -21.413 195 HG3 GLN 676 HG1 GLN 676 -7.327 -16.196 -20.740 196 HE21 GLN 676 HE21 GLN 676 -9.260 -15.656 -21.820 197 HE22 GLN 676 HE22 GLN 676 -9.943 -16.680 -23.028 198 H CYS 677 HN CYS 677 -6.859 -11.687 -22.206 199 HA CYS 677 HA CYS 677 -5.146 -10.643 -24.179 200 HB2 CYS 677 HB2 CYS 677 -6.920 -9.296 -23.110 201 HB3 CYS 677 HB1 CYS 677 -6.052 -9.339 -21.581 202 H LEU 678 HN LEU 678 -3.180 -11.597 -24.150 203 HA LEU 678 HA LEU 678 -1.556 -12.305 -22.016 204 HB2 LEU 678 HB2 LEU 678 0.230 -12.543 -23.752 205 HB3 LEU 678 HB1 LEU 678 -1.298 -13.265 -24.200 206 HG LEU 678 HG LEU 678 -1.633 -10.896 -25.472 207 HD11 LEU 678 HD11 LEU 678 1.381 -11.205 -25.538 208 HD12 LEU 678 HD12 LEU 678 0.484 -9.895 -24.764 209 HD13 LEU 678 HD13 LEU 678 0.424 -10.086 -26.514 210 HD21 LEU 678 HD21 LEU 678 -1.783 -13.087 -26.560 211 HD22 LEU 678 HD22 LEU 678 -0.022 -13.184 -26.650 212 HD23 LEU 678 HD23 LEU 678 -0.890 -11.945 -27.561 213 H LYS 679 HN LYS 679 -1.875 -9.207 -23.559 214 HA LYS 679 HA LYS 679 0.574 -8.019 -22.826 215 HB2 LYS 679 HB2 LYS 679 -0.789 -7.198 -24.681 216 HB3 LYS 679 HB1 LYS 679 -2.091 -6.771 -23.584 217 HG2 LYS 679 HG2 LYS 679 -0.975 -4.878 -22.763 218 HG3 LYS 679 HG1 LYS 679 0.615 -5.474 -23.234 219 HD2 LYS 679 HD2 LYS 679 -1.532 -4.564 -25.200 220 HD3 LYS 679 HD1 LYS 679 -0.204 -3.549 -24.630 221 HE2 LYS 679 HE2 LYS 679 1.399 -5.278 -25.560 222 HE3 LYS 679 HE1 LYS 679 0.010 -6.087 -26.287 223 HZ1 LYS 679 HZ1 LYS 679 -0.429 -4.112 -27.581 224 HZ2 LYS 679 HZ2 LYS 679 1.165 -4.616 -27.825 225 HZ3 LYS 679 HZ3 LYS 679 0.846 -3.293 -26.829 226 H CYS 680 HN CYS 680 -2.408 -8.454 -20.982 227 HA CYS 680 HA CYS 680 -1.090 -7.199 -18.663 228 HB2 CYS 680 HB2 CYS 680 -2.978 -5.806 -18.068 229 HB3 CYS 680 HB1 CYS 680 -2.563 -5.439 -19.741 230 H HIS 681 HN HIS 681 -2.085 -9.955 -19.700 231 HA HIS 681 HA HIS 681 -2.994 -11.897 -18.944 232 HB2 HIS 681 HB2 HIS 681 -2.091 -10.736 -16.272 233 HB3 HIS 681 HB1 HIS 681 -2.519 -12.425 -16.529 234 HD1 HIS 681 HD1 HIS 681 0.369 -10.438 -16.250 235 HD2 HIS 681 HD2 HIS 681 -0.768 -13.463 -18.867 236 HE1 HIS 681 HE1 HIS 681 2.505 -11.319 -17.230 237 HE2 HIS 681 HE2 HIS 681 1.803 -13.199 -18.747 238 H LEU 682 HN LEU 682 -4.972 -10.203 -19.519 239 HA LEU 682 HA LEU 682 -6.963 -10.184 -17.319 240 HB2 LEU 682 HB2 LEU 682 -6.230 -7.988 -18.289 241 HB3 LEU 682 HB1 LEU 682 -6.764 -8.511 -19.868 242 HG LEU 682 HG LEU 682 -8.264 -6.841 -18.744 243 HD11 LEU 682 HD11 LEU 682 -10.367 -7.829 -19.337 244 HD12 LEU 682 HD12 LEU 682 -9.680 -9.452 -19.285 245 HD13 LEU 682 HD13 LEU 682 -9.146 -8.305 -20.514 246 HD21 LEU 682 HD21 LEU 682 -8.917 -9.080 -16.821 247 HD22 LEU 682 HD22 LEU 682 -9.731 -7.516 -16.923 248 HD23 LEU 682 HD23 LEU 682 -8.040 -7.596 -16.436 249 H TRP 683 HN TRP 683 -8.684 -11.575 -17.562 250 HA TRP 683 HA TRP 683 -8.865 -13.124 -20.078 251 HB2 TRP 683 HB2 TRP 683 -10.389 -13.889 -17.568 252 HB3 TRP 683 HB1 TRP 683 -9.805 -14.919 -18.866 253 HD1 TRP 683 HD1 TRP 683 -9.324 -14.891 -15.488 254 HE1 TRP 683 HE1 TRP 683 -6.953 -15.418 -14.685 255 HE3 TRP 683 HE3 TRP 683 -6.712 -13.977 -19.823 256 HZ2 TRP 683 HZ2 TRP 683 -4.350 -15.433 -15.691 257 HZ3 TRP 683 HZ3 TRP 683 -4.269 -14.278 -19.799 258 HH2 TRP 683 HH2 TRP 683 -3.107 -14.995 -17.769 259 H GLN 684 HN GLN 684 -10.182 -11.984 -21.444 260 HA GLN 684 HA GLN 684 -12.847 -11.103 -20.456 261 HB2 GLN 684 HB2 GLN 684 -10.968 -9.418 -21.441 262 HB3 GLN 684 HB1 GLN 684 -11.674 -9.903 -22.968 263 HG2 GLN 684 HG2 GLN 684 -13.438 -8.505 -22.681 264 HG3 GLN 684 HG1 GLN 684 -13.812 -9.200 -21.112 265 HE21 GLN 684 HE21 GLN 684 -12.672 -8.321 -19.245 266 HE22 GLN 684 HE22 GLN 684 -12.116 -6.699 -19.254 267 H HIS 685 HN HIS 685 -14.560 -11.126 -22.237 268 HA HIS 685 HA HIS 685 -14.443 -13.595 -23.754 269 HB2 HIS 685 HB2 HIS 685 -16.626 -11.530 -23.427 270 HB3 HIS 685 HB1 HIS 685 -16.788 -12.875 -24.544 271 HD2 HIS 685 HD2 HIS 685 -15.841 -15.329 -22.607 272 HE1 HIS 685 HE1 HIS 685 -18.954 -13.861 -20.148 273 HE2 HIS 685 HE2 HIS 685 -17.328 -15.767 -20.537 274 H ALA 686 HN ALA 686 -14.243 -13.810 -25.946 275 HA ALA 686 HA ALA 686 -13.212 -11.878 -27.658 276 HB1 ALA 686 HB1 ALA 686 -13.767 -13.455 -29.469 277 HB2 ALA 686 HB2 ALA 686 -14.821 -14.353 -28.374 278 HB3 ALA 686 HB3 ALA 686 -13.083 -14.301 -28.078 279 H LYS 687 HN LYS 687 -16.603 -13.009 -27.337 280 HA LYS 687 HA LYS 687 -17.655 -11.066 -29.200 281 HB2 LYS 687 HB2 LYS 687 -18.703 -13.394 -27.688 282 HB3 LYS 687 HB1 LYS 687 -19.877 -12.098 -27.826 283 HG2 LYS 687 HG2 LYS 687 -20.098 -13.776 -29.632 284 HG3 LYS 687 HG1 LYS 687 -19.766 -12.156 -30.245 285 HD2 LYS 687 HD2 LYS 687 -17.411 -12.745 -30.621 286 HD3 LYS 687 HD1 LYS 687 -17.676 -14.345 -29.927 287 HE2 LYS 687 HE2 LYS 687 -17.624 -14.448 -32.373 288 HE3 LYS 687 HE1 LYS 687 -19.220 -14.888 -31.772 289 HZ1 LYS 687 HZ1 LYS 687 -18.485 -12.223 -32.854 290 HZ2 LYS 687 HZ2 LYS 687 -20.024 -12.713 -32.365 291 HZ3 LYS 687 HZ3 LYS 687 -19.298 -13.430 -33.707 292 H CYS 688 HN CYS 688 -16.464 -10.459 -26.273 293 HA CYS 688 HA CYS 688 -18.324 -8.210 -25.771 294 HB2 CYS 688 HB2 CYS 688 -16.311 -9.561 -23.946 295 HB3 CYS 688 HB1 CYS 688 -17.103 -8.038 -23.540 296 H VAL 689 HN VAL 689 -15.280 -9.029 -27.098 297 HA VAL 689 HA VAL 689 -14.300 -6.229 -26.942 298 HB VAL 689 HB VAL 689 -12.011 -7.010 -27.115 299 HG11 VAL 689 HG11 VAL 689 -13.441 -8.654 -24.991 300 HG12 VAL 689 HG12 VAL 689 -12.962 -6.965 -24.840 301 HG13 VAL 689 HG13 VAL 689 -11.730 -8.216 -24.986 302 HG21 VAL 689 HG21 VAL 689 -13.077 -9.852 -27.298 303 HG22 VAL 689 HG22 VAL 689 -11.372 -9.406 -27.175 304 HG23 VAL 689 HG23 VAL 689 -12.307 -8.945 -28.597 305 H ASN 690 HN ASN 690 -16.075 -7.876 -28.936 306 HA ASN 690 HA ASN 690 -16.626 -7.766 -31.128 307 HB2 ASN 690 HB2 ASN 690 -14.481 -5.595 -31.323 308 HB3 ASN 690 HB1 ASN 690 -15.660 -5.956 -32.575 309 HD21 ASN 690 HD21 ASN 690 -16.480 -3.864 -32.533 310 HD22 ASN 690 HD22 ASN 690 -17.460 -3.273 -31.236 311 H TYR 691 HN TYR 691 -14.848 -9.721 -30.315 312 HA TYR 691 HA TYR 691 -13.180 -10.324 -32.691 313 HB2 TYR 691 HB2 TYR 691 -11.925 -9.584 -30.564 314 HB3 TYR 691 HB1 TYR 691 -12.537 -11.024 -29.774 315 HD1 TYR 691 HD1 TYR 691 -10.205 -9.762 -32.388 316 HD2 TYR 691 HD2 TYR 691 -11.480 -13.172 -30.161 317 HE1 TYR 691 HE1 TYR 691 -8.198 -10.988 -33.101 318 HE2 TYR 691 HE2 TYR 691 -9.482 -14.378 -30.867 319 HH TYR 691 HH TYR 691 -6.828 -12.916 -32.293 320 H ASP 692 HN ASP 692 -12.770 -12.875 -32.707 321 HA ASP 692 HA ASP 692 -15.051 -14.396 -31.586 322 HB2 ASP 692 HB2 ASP 692 -15.394 -15.568 -33.760 323 HB3 ASP 692 HB1 ASP 692 -15.729 -13.844 -33.874 324 H GLU 693 HN GLU 693 -14.717 -16.773 -31.679 325 HA GLU 693 HA GLU 693 -12.081 -17.361 -30.676 326 HB2 GLU 693 HB2 GLU 693 -12.977 -19.553 -30.032 327 HB3 GLU 693 HB1 GLU 693 -14.001 -18.242 -29.490 328 HG2 GLU 693 HG2 GLU 693 -15.674 -19.576 -30.251 329 HG3 GLU 693 HG1 GLU 693 -15.279 -18.840 -31.803 330 H LYS 694 HN LYS 694 -13.638 -17.741 -33.706 331 HA LYS 694 HA LYS 694 -12.303 -19.998 -34.761 332 HB2 LYS 694 HB2 LYS 694 -13.501 -17.598 -36.215 333 HB3 LYS 694 HB1 LYS 694 -12.884 -19.022 -37.035 334 HG2 LYS 694 HG2 LYS 694 -15.221 -19.324 -36.979 335 HG3 LYS 694 HG1 LYS 694 -14.599 -20.381 -35.715 336 HD2 LYS 694 HD2 LYS 694 -15.212 -18.629 -34.018 337 HD3 LYS 694 HD1 LYS 694 -15.924 -17.667 -35.315 338 HE2 LYS 694 HE2 LYS 694 -16.829 -20.438 -34.433 339 HE3 LYS 694 HE1 LYS 694 -17.665 -18.918 -34.114 340 HZ1 LYS 694 HZ1 LYS 694 -17.979 -18.642 -36.499 341 HZ2 LYS 694 HZ2 LYS 694 -18.670 -20.084 -35.954 342 HZ3 LYS 694 HZ3 LYS 694 -17.203 -20.117 -36.791 343 H ASN 695 HN ASN 695 -11.518 -16.499 -34.982 344 HA ASN 695 HA ASN 695 -8.864 -17.123 -36.075 345 HB2 ASN 695 HB2 ASN 695 -8.615 -14.856 -36.672 346 HB3 ASN 695 HB1 ASN 695 -10.287 -15.226 -37.022 347 HD21 ASN 695 HD21 ASN 695 -10.953 -14.918 -34.059 348 HD22 ASN 695 HD22 ASN 695 -10.989 -13.222 -33.818 349 H LEU 696 HN LEU 696 -10.188 -16.853 -33.019 350 HA LEU 696 HA LEU 696 -8.059 -15.822 -31.471 351 HB2 LEU 696 HB2 LEU 696 -10.252 -16.335 -30.528 352 HB3 LEU 696 HB1 LEU 696 -10.067 -18.025 -30.924 353 HG LEU 696 HG LEU 696 -8.250 -18.186 -29.181 354 HD11 LEU 696 HD11 LEU 696 -9.129 -15.385 -28.453 355 HD12 LEU 696 HD12 LEU 696 -7.559 -15.847 -29.111 356 HD13 LEU 696 HD13 LEU 696 -8.044 -16.412 -27.516 357 HD21 LEU 696 HD21 LEU 696 -10.967 -17.241 -28.185 358 HD22 LEU 696 HD22 LEU 696 -9.799 -18.192 -27.265 359 HD23 LEU 696 HD23 LEU 696 -10.564 -18.885 -28.692 360 H LYS 697 HN LYS 697 -8.669 -19.027 -32.880 361 HA LYS 697 HA LYS 697 -6.410 -20.441 -32.037 362 HB2 LYS 697 HB2 LYS 697 -8.223 -20.645 -34.410 363 HB3 LYS 697 HB1 LYS 697 -6.670 -21.447 -34.585 364 HG2 LYS 697 HG2 LYS 697 -8.074 -23.137 -33.793 365 HG3 LYS 697 HG1 LYS 697 -7.197 -22.616 -32.360 366 HD2 LYS 697 HD2 LYS 697 -9.412 -22.848 -31.616 367 HD3 LYS 697 HD1 LYS 697 -9.239 -21.111 -31.874 368 HE2 LYS 697 HE2 LYS 697 -10.422 -21.254 -33.996 369 HE3 LYS 697 HE1 LYS 697 -10.480 -23.018 -33.896 370 HZ1 LYS 697 HZ1 LYS 697 -11.902 -22.854 -31.987 371 HZ2 LYS 697 HZ2 LYS 697 -12.569 -21.927 -33.236 372 HZ3 LYS 697 HZ3 LYS 697 -11.758 -21.172 -31.959 373 H ILE 698 HN ILE 698 -6.491 -17.802 -34.345 374 HA ILE 698 HA ILE 698 -3.844 -18.538 -35.491 375 HB ILE 698 HB ILE 698 -5.822 -16.553 -36.712 376 HG12 ILE 698 HG12 ILE 698 -5.700 -19.541 -37.356 377 HG13 ILE 698 HG11 ILE 698 -6.962 -18.762 -36.402 378 HG21 ILE 698 HG21 ILE 698 -3.559 -18.155 -37.975 379 HG22 ILE 698 HG22 ILE 698 -3.522 -16.437 -37.580 380 HG23 ILE 698 HG23 ILE 698 -4.622 -17.028 -38.824 381 HD11 ILE 698 HD11 ILE 698 -6.363 -18.259 -39.315 382 HD12 ILE 698 HD12 ILE 698 -7.590 -17.416 -38.363 383 HD13 ILE 698 HD13 ILE 698 -7.729 -19.154 -38.647 384 H LYS 699 HN LYS 699 -5.749 -15.636 -35.000 385 HA LYS 699 HA LYS 699 -3.484 -13.872 -35.165 386 HB2 LYS 699 HB2 LYS 699 -6.500 -13.549 -35.041 387 HB3 LYS 699 HB1 LYS 699 -5.439 -12.157 -35.121 388 HG2 LYS 699 HG2 LYS 699 -4.646 -12.736 -37.293 389 HG3 LYS 699 HG1 LYS 699 -5.268 -14.376 -37.164 390 HD2 LYS 699 HD2 LYS 699 -6.668 -13.083 -38.686 391 HD3 LYS 699 HD1 LYS 699 -7.582 -13.505 -37.236 392 HE2 LYS 699 HE2 LYS 699 -7.107 -11.214 -36.342 393 HE3 LYS 699 HE1 LYS 699 -6.326 -10.825 -37.877 394 HZ1 LYS 699 HZ1 LYS 699 -8.565 -10.032 -37.893 395 HZ2 LYS 699 HZ2 LYS 699 -9.173 -11.549 -37.466 396 HZ3 LYS 699 HZ3 LYS 699 -8.461 -11.322 -38.982 397 HA PRO 700 HA PRO 700 -3.034 -12.635 -30.785 398 HB2 PRO 700 HB2 PRO 700 -2.712 -9.885 -31.102 399 HB3 PRO 700 HB1 PRO 700 -1.428 -11.069 -31.383 400 HG2 PRO 700 HG2 PRO 700 -3.328 -9.839 -33.397 401 HG3 PRO 700 HG1 PRO 700 -1.552 -9.971 -33.477 402 HD2 PRO 700 HD2 PRO 700 -3.066 -11.697 -34.799 403 HD3 PRO 700 HD1 PRO 700 -1.653 -12.304 -33.903 404 H PHE 701 HN PHE 701 -4.120 -11.393 -29.110 405 HA PHE 701 HA PHE 701 -6.805 -10.402 -29.652 406 HB2 PHE 701 HB2 PHE 701 -7.765 -12.181 -28.049 407 HB3 PHE 701 HB1 PHE 701 -7.374 -12.700 -29.677 408 HD1 PHE 701 HD1 PHE 701 -5.465 -14.222 -30.095 409 HD2 PHE 701 HD2 PHE 701 -6.513 -13.060 -26.107 410 HE1 PHE 701 HE1 PHE 701 -4.131 -16.083 -29.199 411 HE2 PHE 701 HE2 PHE 701 -5.173 -14.937 -25.234 412 HZ PHE 701 HZ PHE 701 -3.982 -16.439 -26.768 413 H TYR 702 HN TYR 702 -7.425 -8.953 -28.146 414 HA TYR 702 HA TYR 702 -6.035 -8.756 -25.557 415 HB2 TYR 702 HB2 TYR 702 -6.160 -6.419 -27.528 416 HB3 TYR 702 HB1 TYR 702 -5.475 -6.368 -25.906 417 HD1 TYR 702 HD2 TYR 702 -3.387 -7.805 -25.432 418 HD2 TYR 702 HD1 TYR 702 -4.812 -7.078 -29.395 419 HE1 TYR 702 HE2 TYR 702 -1.219 -8.510 -26.344 420 HE2 TYR 702 HE1 TYR 702 -2.642 -7.796 -30.300 421 HH TYR 702 HH TYR 702 -0.307 -7.973 -29.566 422 H CYS 703 HN CYS 703 -7.007 -7.195 -24.126 423 HA CYS 703 HA CYS 703 -9.879 -6.859 -24.313 424 HB2 CYS 703 HB2 CYS 703 -9.754 -6.063 -22.050 425 HB3 CYS 703 HB1 CYS 703 -8.572 -7.361 -22.150 426 HA PRO 704 HA PRO 704 -10.048 -3.001 -26.489 427 HB2 PRO 704 HB2 PRO 704 -11.893 -1.506 -24.962 428 HB3 PRO 704 HB1 PRO 704 -12.319 -2.738 -26.151 429 HG2 PRO 704 HG2 PRO 704 -12.041 -3.026 -23.170 430 HG3 PRO 704 HG1 PRO 704 -13.321 -3.644 -24.243 431 HD2 PRO 704 HD2 PRO 704 -11.419 -5.283 -23.398 432 HD3 PRO 704 HD1 PRO 704 -11.931 -5.354 -25.098 433 H HIS 705 HN HIS 705 -9.451 -2.666 -22.993 434 HA HIS 705 HA HIS 705 -8.704 0.061 -22.988 435 HB2 HIS 705 HB2 HIS 705 -9.349 -1.269 -20.949 436 HB3 HIS 705 HB1 HIS 705 -7.798 -2.090 -21.030 437 HD1 HIS 705 HD1 HIS 705 -7.431 -1.103 -18.564 438 HD2 HIS 705 HD2 HIS 705 -7.590 1.744 -21.590 439 HE1 HIS 705 HE1 HIS 705 -6.488 1.001 -17.570 440 HE2 HIS 705 HE2 HIS 705 -6.656 2.721 -19.397 441 H CYS 706 HN CYS 706 -6.796 -2.892 -23.546 442 HA CYS 706 HA CYS 706 -4.236 -1.621 -23.547 443 HB2 CYS 706 HB2 CYS 706 -5.171 -4.286 -24.628 444 HB3 CYS 706 HB1 CYS 706 -3.514 -3.728 -24.863 445 H LEU 707 HN LEU 707 -6.692 -2.087 -26.042 446 HA LEU 707 HA LEU 707 -5.128 -1.325 -28.286 447 HB2 LEU 707 HB2 LEU 707 -8.121 -1.214 -27.771 448 HB3 LEU 707 HB1 LEU 707 -7.431 -0.584 -29.255 449 HG LEU 707 HG LEU 707 -6.521 -2.868 -29.772 450 HD11 LEU 707 HD11 LEU 707 -6.395 -3.799 -27.508 451 HD12 LEU 707 HD12 LEU 707 -7.332 -4.836 -28.580 452 HD13 LEU 707 HD13 LEU 707 -8.158 -3.810 -27.403 453 HD21 LEU 707 HD21 LEU 707 -9.535 -2.763 -29.393 454 HD22 LEU 707 HD22 LEU 707 -8.660 -3.853 -30.471 455 HD23 LEU 707 HD23 LEU 707 -8.637 -2.118 -30.772 456 H VAL 708 HN VAL 708 -7.280 0.503 -26.138 457 HA VAL 708 HA VAL 708 -6.883 3.084 -27.207 458 HB VAL 708 HB VAL 708 -7.683 2.349 -24.348 459 HG11 VAL 708 HG11 VAL 708 -7.105 4.735 -24.574 460 HG12 VAL 708 HG12 VAL 708 -8.834 4.535 -24.299 461 HG13 VAL 708 HG13 VAL 708 -8.235 4.898 -25.920 462 HG21 VAL 708 HG21 VAL 708 -9.468 2.724 -26.790 463 HG22 VAL 708 HG22 VAL 708 -10.037 2.494 -25.135 464 HG23 VAL 708 HG23 VAL 708 -9.153 1.205 -25.949 465 H ALA 709 HN ALA 709 -5.109 1.251 -24.779 466 HA ALA 709 HA ALA 709 -3.583 3.422 -23.698 467 HB1 ALA 709 HB1 ALA 709 -2.325 1.690 -22.494 468 HB2 ALA 709 HB2 ALA 709 -3.084 0.435 -23.477 469 HB3 ALA 709 HB3 ALA 709 -4.064 1.404 -22.378 470 H MET 710 HN MET 710 -3.055 1.064 -26.287 471 HA MET 710 HA MET 710 -0.322 1.774 -26.830 472 HB2 MET 710 HB2 MET 710 -2.410 0.335 -28.512 473 HB3 MET 710 HB1 MET 710 -0.760 0.601 -29.063 474 HG2 MET 710 HG2 MET 710 0.068 -0.711 -27.114 475 HG3 MET 710 HG1 MET 710 -1.605 -1.037 -26.660 476 HE1 MET 710 HE1 MET 710 -2.837 -3.281 -29.662 477 HE2 MET 710 HE2 MET 710 -3.058 -1.545 -29.446 478 HE3 MET 710 HE3 MET 710 -3.254 -2.638 -28.073 479 H GLU 711 HN GLU 711 -3.392 3.129 -27.655 480 HA GLU 711 HA GLU 711 -2.395 4.848 -29.777 481 HB2 GLU 711 HB2 GLU 711 -5.098 4.751 -28.368 482 HB3 GLU 711 HB1 GLU 711 -4.730 5.747 -29.779 483 HG2 GLU 711 HG2 GLU 711 -4.292 3.713 -31.107 484 HG3 GLU 711 HG1 GLU 711 -4.627 2.715 -29.696 485 HA PRO 712 HA PRO 712 -0.927 8.182 -27.218 486 HB2 PRO 712 HB2 PRO 712 -1.584 10.393 -28.776 487 HB3 PRO 712 HB1 PRO 712 -0.212 9.325 -29.093 488 HG2 PRO 712 HG2 PRO 712 -2.970 9.282 -30.316 489 HG3 PRO 712 HG1 PRO 712 -1.386 9.146 -31.117 490 HD2 PRO 712 HD2 PRO 712 -2.859 6.959 -30.634 491 HD3 PRO 712 HD1 PRO 712 -1.093 6.916 -30.430 492 H VAL 713 HN VAL 713 -1.561 9.761 -25.750 493 HA VAL 713 HA VAL 713 -4.461 9.966 -25.196 494 HB VAL 713 HB VAL 713 -3.682 10.665 -22.847 495 HG11 VAL 713 HG11 VAL 713 -4.517 8.392 -23.309 496 HG12 VAL 713 HG12 VAL 713 -3.232 8.354 -22.104 497 HG13 VAL 713 HG13 VAL 713 -2.894 7.869 -23.768 498 HG21 VAL 713 HG21 VAL 713 -1.382 10.083 -22.148 499 HG22 VAL 713 HG22 VAL 713 -1.347 11.308 -23.416 500 HG23 VAL 713 HG23 VAL 713 -0.975 9.630 -23.807 501 H SER 714 HN SER 714 -5.450 11.923 -24.916 502 HA SER 714 HA SER 714 -4.289 14.237 -26.163 503 HB2 SER 714 HB2 SER 714 -6.680 13.626 -26.486 504 HB3 SER 714 HB1 SER 714 -6.987 13.894 -24.770 505 HG SER 714 HG SER 714 -6.975 15.993 -25.088 506 H THR 715 HN THR 715 -2.518 14.662 -24.759 507 HA THR 715 HA THR 715 -3.071 16.558 -22.676 508 HB THR 715 HB THR 715 -3.204 14.429 -21.354 509 HG1 THR 715 HG1 THR 715 -1.406 15.082 -19.859 510 HG21 THR 715 HG21 THR 715 -0.277 14.060 -22.099 511 HG22 THR 715 HG22 THR 715 -1.609 13.051 -22.669 512 HG23 THR 715 HG23 THR 715 -1.196 13.077 -20.955 513 H ARG 716 HN ARG 716 -0.929 17.451 -21.800 514 HA ARG 716 HA ARG 716 1.050 17.637 -23.971 515 HB2 ARG 716 HB2 ARG 716 0.526 19.389 -21.534 516 HB3 ARG 716 HB1 ARG 716 1.869 19.650 -22.646 517 HG2 ARG 716 HG2 ARG 716 -1.054 19.668 -23.451 518 HG3 ARG 716 HG1 ARG 716 -0.112 21.118 -23.093 519 HD2 ARG 716 HD2 ARG 716 1.410 20.573 -24.981 520 HD3 ARG 716 HD1 ARG 716 0.455 19.127 -25.326 521 HE ARG 716 HE ARG 716 -1.440 20.973 -25.531 522 HH11 ARG 716 HH11 ARG 716 1.827 21.120 -26.823 523 HH12 ARG 716 HH12 ARG 716 1.363 22.072 -28.194 524 HH21 ARG 716 HH21 ARG 716 -2.022 22.234 -27.333 525 HH22 ARG 716 HH22 ARG 716 -0.811 22.703 -28.483 Start of MODEL 2 1 H PHE 652 HT1 PHE 652 -7.262 -0.237 6.625 2 HA PHE 652 HA PHE 652 -5.556 -1.849 6.187 3 HB2 PHE 652 HB2 PHE 652 -7.790 -3.924 6.356 4 HB3 PHE 652 HB1 PHE 652 -6.093 -4.234 5.999 5 HD1 PHE 652 HD1 PHE 652 -4.356 -3.699 7.837 6 HD2 PHE 652 HD2 PHE 652 -8.553 -3.956 8.615 7 HE1 PHE 652 HE1 PHE 652 -3.900 -3.991 10.239 8 HE2 PHE 652 HE2 PHE 652 -8.085 -4.252 11.012 9 HZ PHE 652 HZ PHE 652 -5.762 -4.268 11.826 10 H ASN 653 HN ASN 653 -5.428 -0.805 4.257 11 HA ASN 653 HA ASN 653 -7.536 -0.795 2.264 12 HB2 ASN 653 HB2 ASN 653 -4.642 0.170 2.110 13 HB3 ASN 653 HB1 ASN 653 -5.850 0.434 0.859 14 HD21 ASN 653 HD21 ASN 653 -8.050 1.177 2.427 15 HD22 ASN 653 HD22 ASN 653 -7.705 2.681 3.197 16 H THR 654 HN THR 654 -7.814 -3.074 1.965 17 HA THR 654 HA THR 654 -5.702 -4.831 1.184 18 HB THR 654 HB THR 654 -7.518 -6.484 0.744 19 HG1 THR 654 HG1 THR 654 -9.137 -5.138 -0.073 20 HG21 THR 654 HG21 THR 654 -8.462 -6.591 3.029 21 HG22 THR 654 HG22 THR 654 -7.936 -4.935 3.335 22 HG23 THR 654 HG23 THR 654 -6.737 -6.204 3.073 23 H SER 655 HN SER 655 -4.741 -4.878 -0.738 24 HA SER 655 HA SER 655 -5.782 -3.555 -3.080 25 HB2 SER 655 HB2 SER 655 -3.262 -5.234 -2.690 26 HB3 SER 655 HB1 SER 655 -3.625 -4.242 -4.105 27 HG SER 655 HG SER 655 -3.797 -2.455 -2.500 28 H ASP 656 HN ASP 656 -6.195 -4.543 -5.116 29 HA ASP 656 HA ASP 656 -6.556 -7.447 -5.261 30 HB2 ASP 656 HB2 ASP 656 -8.902 -7.184 -6.158 31 HB3 ASP 656 HB1 ASP 656 -8.737 -6.781 -4.455 32 H TYR 657 HN TYR 657 -6.822 -8.216 -7.428 33 HA TYR 657 HA TYR 657 -6.212 -6.331 -9.622 34 HB2 TYR 657 HB2 TYR 657 -4.910 -9.085 -9.277 35 HB3 TYR 657 HB1 TYR 657 -4.602 -7.944 -10.586 36 HD1 TYR 657 HD2 TYR 657 -3.486 -5.703 -10.023 37 HD2 TYR 657 HD1 TYR 657 -3.687 -8.915 -7.203 38 HE1 TYR 657 HE2 TYR 657 -1.738 -4.626 -8.667 39 HE2 TYR 657 HE1 TYR 657 -1.949 -7.827 -5.842 40 HH TYR 657 HH TYR 657 -1.025 -4.613 -6.260 41 H ARG 658 HN ARG 658 -8.420 -6.368 -10.118 42 HA ARG 658 HA ARG 658 -9.899 -8.805 -10.491 43 HB2 ARG 658 HB2 ARG 658 -10.663 -5.955 -11.244 44 HB3 ARG 658 HB1 ARG 658 -11.759 -7.331 -11.080 45 HG2 ARG 658 HG2 ARG 658 -11.363 -7.433 -8.681 46 HG3 ARG 658 HG1 ARG 658 -10.098 -6.204 -8.801 47 HD2 ARG 658 HD2 ARG 658 -11.898 -4.639 -9.694 48 HD3 ARG 658 HD1 ARG 658 -13.083 -5.847 -9.171 49 HE ARG 658 HE ARG 658 -11.125 -4.711 -7.281 50 HH11 ARG 658 HH11 ARG 658 -14.503 -5.226 -8.084 51 HH12 ARG 658 HH12 ARG 658 -15.074 -4.586 -6.577 52 HH21 ARG 658 HH21 ARG 658 -11.849 -3.878 -5.351 53 HH22 ARG 658 HH22 ARG 658 -13.552 -3.805 -5.019 54 H PHE 659 HN PHE 659 -8.848 -9.957 -12.093 55 HA PHE 659 HA PHE 659 -8.641 -8.805 -14.790 56 HB2 PHE 659 HB2 PHE 659 -7.230 -10.948 -15.218 57 HB3 PHE 659 HB1 PHE 659 -6.536 -9.659 -14.254 58 HD1 PHE 659 HD1 PHE 659 -8.587 -12.777 -13.639 59 HD2 PHE 659 HD2 PHE 659 -5.284 -10.350 -12.415 60 HE1 PHE 659 HE1 PHE 659 -8.024 -14.413 -11.884 61 HE2 PHE 659 HE2 PHE 659 -4.729 -11.994 -10.665 62 HZ PHE 659 HZ PHE 659 -6.095 -14.024 -10.403 63 H GLU 660 HN GLU 660 -11.166 -9.579 -13.652 64 HA GLU 660 HA GLU 660 -12.093 -11.889 -15.198 65 HB2 GLU 660 HB2 GLU 660 -12.900 -11.457 -12.880 66 HB3 GLU 660 HB1 GLU 660 -13.552 -9.912 -13.398 67 HG2 GLU 660 HG2 GLU 660 -15.078 -11.253 -14.970 68 HG3 GLU 660 HG1 GLU 660 -14.542 -12.688 -14.084 69 H CYS 661 HN CYS 661 -14.031 -11.626 -16.625 70 HA CYS 661 HA CYS 661 -13.733 -9.583 -18.584 71 HB2 CYS 661 HB2 CYS 661 -14.570 -11.908 -19.068 72 HB3 CYS 661 HB1 CYS 661 -16.091 -11.475 -18.279 73 H ILE 662 HN ILE 662 -15.192 -7.921 -19.210 74 HA ILE 662 HA ILE 662 -16.088 -6.334 -17.030 75 HB ILE 662 HB ILE 662 -16.878 -4.716 -18.769 76 HG12 ILE 662 HG12 ILE 662 -15.973 -6.837 -20.789 77 HG13 ILE 662 HG11 ILE 662 -17.653 -6.410 -20.476 78 HG21 ILE 662 HG21 ILE 662 -14.639 -4.228 -19.718 79 HG22 ILE 662 HG22 ILE 662 -14.086 -5.840 -19.254 80 HG23 ILE 662 HG23 ILE 662 -14.536 -4.670 -18.010 81 HD11 ILE 662 HD11 ILE 662 -16.838 -5.398 -22.514 82 HD12 ILE 662 HD12 ILE 662 -15.539 -4.598 -21.635 83 HD13 ILE 662 HD13 ILE 662 -17.220 -4.151 -21.327 84 H CYS 663 HN CYS 663 -17.892 -8.633 -18.989 85 HA CYS 663 HA CYS 663 -20.510 -7.568 -18.332 86 HB2 CYS 663 HB2 CYS 663 -21.429 -9.569 -19.415 87 HB3 CYS 663 HB1 CYS 663 -20.165 -8.869 -20.416 88 H GLY 664 HN GLY 664 -18.230 -9.493 -16.660 89 HA2 GLY 664 HA2 GLY 664 -18.274 -10.306 -14.507 90 HA3 GLY 664 HA1 GLY 664 -19.932 -9.756 -14.357 91 H GLU 665 HN GLU 665 -20.017 -11.641 -17.037 92 HA GLU 665 HA GLU 665 -21.236 -13.878 -15.644 93 HB2 GLU 665 HB2 GLU 665 -20.884 -13.441 -18.647 94 HB3 GLU 665 HB1 GLU 665 -21.961 -14.604 -17.878 95 HG2 GLU 665 HG2 GLU 665 -22.199 -11.577 -17.792 96 HG3 GLU 665 HG1 GLU 665 -23.218 -12.682 -18.714 97 H LEU 666 HN LEU 666 -20.790 -16.135 -16.674 98 HA LEU 666 HA LEU 666 -18.217 -16.987 -15.946 99 HB2 LEU 666 HB2 LEU 666 -20.311 -18.395 -17.635 100 HB3 LEU 666 HB1 LEU 666 -18.845 -19.169 -17.042 101 HG LEU 666 HG LEU 666 -21.134 -18.094 -15.342 102 HD11 LEU 666 HD11 LEU 666 -21.656 -20.213 -16.441 103 HD12 LEU 666 HD12 LEU 666 -21.466 -20.434 -14.705 104 HD13 LEU 666 HD13 LEU 666 -20.176 -20.935 -15.800 105 HD21 LEU 666 HD21 LEU 666 -18.525 -19.356 -14.417 106 HD22 LEU 666 HD22 LEU 666 -19.914 -18.994 -13.387 107 HD23 LEU 666 HD23 LEU 666 -19.031 -17.682 -14.162 108 H ASP 667 HN ASP 667 -16.372 -16.618 -16.946 109 HA ASP 667 HA ASP 667 -16.274 -16.050 -19.824 110 HB2 ASP 667 HB2 ASP 667 -15.206 -14.542 -17.997 111 HB3 ASP 667 HB1 ASP 667 -13.961 -15.784 -17.855 112 H GLN 668 HN GLN 668 -16.860 -18.471 -19.873 113 HA GLN 668 HA GLN 668 -14.360 -19.985 -20.412 114 HB2 GLN 668 HB2 GLN 668 -17.073 -21.111 -19.549 115 HB3 GLN 668 HB1 GLN 668 -15.752 -22.087 -20.176 116 HG2 GLN 668 HG2 GLN 668 -15.655 -22.399 -17.866 117 HG3 GLN 668 HG1 GLN 668 -14.370 -21.241 -18.200 118 HE21 GLN 668 HE21 GLN 668 -17.598 -21.646 -16.870 119 HE22 GLN 668 HE22 GLN 668 -17.584 -20.223 -15.896 120 H ILE 669 HN ILE 669 -14.297 -21.121 -22.380 121 HA ILE 669 HA ILE 669 -15.615 -20.111 -24.671 122 HB ILE 669 HB ILE 669 -14.172 -22.778 -24.262 123 HG12 ILE 669 HG12 ILE 669 -13.099 -20.182 -25.460 124 HG13 ILE 669 HG11 ILE 669 -12.803 -20.712 -23.809 125 HG21 ILE 669 HG21 ILE 669 -15.572 -22.928 -26.274 126 HG22 ILE 669 HG22 ILE 669 -13.866 -22.883 -26.710 127 HG23 ILE 669 HG23 ILE 669 -14.861 -21.438 -26.906 128 HD11 ILE 669 HD11 ILE 669 -11.888 -22.124 -26.317 129 HD12 ILE 669 HD12 ILE 669 -11.598 -22.669 -24.661 130 HD13 ILE 669 HD13 ILE 669 -10.897 -21.153 -25.226 131 H ASP 670 HN ASP 670 -16.341 -22.677 -22.477 132 HA ASP 670 HA ASP 670 -18.178 -24.304 -23.723 133 HB2 ASP 670 HB2 ASP 670 -18.185 -23.362 -20.816 134 HB3 ASP 670 HB1 ASP 670 -19.005 -24.804 -21.427 135 H ARG 671 HN ARG 671 -18.826 -21.255 -21.984 136 HA ARG 671 HA ARG 671 -21.591 -21.126 -22.863 137 HB2 ARG 671 HB2 ARG 671 -19.818 -19.165 -21.341 138 HB3 ARG 671 HB1 ARG 671 -21.468 -18.771 -21.833 139 HG2 ARG 671 HG2 ARG 671 -20.696 -21.093 -20.029 140 HG3 ARG 671 HG1 ARG 671 -21.313 -19.531 -19.473 141 HD2 ARG 671 HD2 ARG 671 -23.444 -19.902 -20.475 142 HD3 ARG 671 HD1 ARG 671 -22.861 -21.271 -21.424 143 HE ARG 671 HE ARG 671 -22.603 -21.796 -18.636 144 HH11 ARG 671 HH11 ARG 671 -25.057 -21.613 -21.156 145 HH12 ARG 671 HH12 ARG 671 -26.115 -22.740 -20.376 146 HH21 ARG 671 HH21 ARG 671 -24.005 -23.322 -17.644 147 HH22 ARG 671 HH22 ARG 671 -25.513 -23.725 -18.405 148 H LYS 672 HN LYS 672 -18.841 -18.844 -23.290 149 HA LYS 672 HA LYS 672 -19.510 -18.507 -26.141 150 HB2 LYS 672 HB2 LYS 672 -19.259 -16.231 -24.124 151 HB3 LYS 672 HB1 LYS 672 -19.327 -16.007 -25.872 152 HG2 LYS 672 HG2 LYS 672 -21.523 -17.145 -24.117 153 HG3 LYS 672 HG1 LYS 672 -21.481 -15.519 -24.805 154 HD2 LYS 672 HD2 LYS 672 -21.641 -18.123 -26.380 155 HD3 LYS 672 HD1 LYS 672 -22.991 -17.035 -26.051 156 HE2 LYS 672 HE2 LYS 672 -20.528 -16.370 -27.707 157 HE3 LYS 672 HE1 LYS 672 -22.148 -16.705 -28.329 158 HZ1 LYS 672 HZ1 LYS 672 -21.413 -14.434 -26.565 159 HZ2 LYS 672 HZ2 LYS 672 -22.963 -14.765 -27.159 160 HZ3 LYS 672 HZ3 LYS 672 -21.724 -14.344 -28.227 161 HA PRO 673 HA PRO 673 -15.053 -18.608 -26.681 162 HB2 PRO 673 HB2 PRO 673 -14.716 -16.592 -28.615 163 HB3 PRO 673 HB1 PRO 673 -15.124 -18.269 -28.933 164 HG2 PRO 673 HG2 PRO 673 -16.911 -15.879 -28.781 165 HG3 PRO 673 HG1 PRO 673 -16.981 -17.263 -29.894 166 HD2 PRO 673 HD2 PRO 673 -18.665 -17.042 -27.789 167 HD3 PRO 673 HD1 PRO 673 -18.064 -18.623 -28.318 168 H ARG 674 HN ARG 674 -13.144 -17.509 -26.062 169 HA ARG 674 HA ARG 674 -13.469 -14.896 -24.762 170 HB2 ARG 674 HB2 ARG 674 -12.489 -15.746 -22.653 171 HB3 ARG 674 HB1 ARG 674 -14.021 -16.535 -23.029 172 HG2 ARG 674 HG2 ARG 674 -12.809 -18.507 -23.872 173 HG3 ARG 674 HG1 ARG 674 -11.269 -17.717 -23.527 174 HD2 ARG 674 HD2 ARG 674 -11.908 -17.644 -21.115 175 HD3 ARG 674 HD1 ARG 674 -13.365 -18.553 -21.509 176 HE ARG 674 HE ARG 674 -11.258 -20.040 -22.510 177 HH11 ARG 674 HH11 ARG 674 -12.217 -18.902 -19.324 178 HH12 ARG 674 HH12 ARG 674 -11.456 -20.218 -18.494 179 HH21 ARG 674 HH21 ARG 674 -10.267 -21.760 -21.406 180 HH22 ARG 674 HH22 ARG 674 -10.325 -21.829 -19.677 181 H VAL 675 HN VAL 675 -11.741 -13.666 -24.725 182 HA VAL 675 HA VAL 675 -9.179 -14.583 -25.842 183 HB VAL 675 HB VAL 675 -8.755 -12.175 -26.381 184 HG11 VAL 675 HG11 VAL 675 -11.332 -13.293 -27.524 185 HG12 VAL 675 HG12 VAL 675 -9.697 -13.635 -28.092 186 HG13 VAL 675 HG13 VAL 675 -10.364 -12.010 -28.256 187 HG21 VAL 675 HG21 VAL 675 -10.173 -11.087 -24.667 188 HG22 VAL 675 HG22 VAL 675 -11.622 -11.697 -25.468 189 HG23 VAL 675 HG23 VAL 675 -10.591 -10.518 -26.286 190 H GLN 676 HN GLN 676 -7.731 -15.016 -24.349 191 HA GLN 676 HA GLN 676 -7.689 -13.718 -21.733 192 HB2 GLN 676 HB2 GLN 676 -6.371 -16.174 -22.927 193 HB3 GLN 676 HB1 GLN 676 -5.619 -15.418 -21.527 194 HG2 GLN 676 HG2 GLN 676 -7.163 -17.323 -20.977 195 HG3 GLN 676 HG1 GLN 676 -7.542 -15.815 -20.154 196 HE21 GLN 676 HE21 GLN 676 -9.684 -16.023 -19.805 197 HE22 GLN 676 HE22 GLN 676 -10.873 -16.216 -21.035 198 H CYS 677 HN CYS 677 -7.032 -11.661 -22.063 199 HA CYS 677 HA CYS 677 -5.179 -10.786 -24.013 200 HB2 CYS 677 HB2 CYS 677 -6.944 -9.317 -23.119 201 HB3 CYS 677 HB1 CYS 677 -6.179 -9.327 -21.533 202 H LEU 678 HN LEU 678 -3.234 -11.712 -23.865 203 HA LEU 678 HA LEU 678 -1.856 -12.496 -21.572 204 HB2 LEU 678 HB2 LEU 678 0.083 -12.882 -23.087 205 HB3 LEU 678 HB1 LEU 678 -1.408 -13.607 -23.649 206 HG LEU 678 HG LEU 678 -0.676 -10.900 -24.775 207 HD11 LEU 678 HD11 LEU 678 0.747 -11.893 -26.525 208 HD12 LEU 678 HD12 LEU 678 0.656 -13.466 -25.728 209 HD13 LEU 678 HD13 LEU 678 1.462 -12.114 -24.929 210 HD21 LEU 678 HD21 LEU 678 -1.984 -13.348 -26.014 211 HD22 LEU 678 HD22 LEU 678 -1.699 -11.811 -26.840 212 HD23 LEU 678 HD23 LEU 678 -2.802 -11.882 -25.472 213 H LYS 679 HN LYS 679 -1.839 -9.426 -23.221 214 HA LYS 679 HA LYS 679 0.690 -8.485 -22.366 215 HB2 LYS 679 HB2 LYS 679 -0.580 -7.616 -24.338 216 HB3 LYS 679 HB1 LYS 679 -1.723 -6.849 -23.244 217 HG2 LYS 679 HG2 LYS 679 -0.077 -5.296 -22.454 218 HG3 LYS 679 HG1 LYS 679 1.240 -6.193 -23.211 219 HD2 LYS 679 HD2 LYS 679 -0.977 -4.743 -24.727 220 HD3 LYS 679 HD1 LYS 679 0.641 -4.092 -24.438 221 HE2 LYS 679 HE2 LYS 679 0.005 -6.620 -26.013 222 HE3 LYS 679 HE1 LYS 679 0.433 -5.061 -26.709 223 HZ1 LYS 679 HZ1 LYS 679 2.596 -5.216 -25.654 224 HZ2 LYS 679 HZ2 LYS 679 2.326 -6.564 -26.641 225 HZ3 LYS 679 HZ3 LYS 679 2.188 -6.699 -24.960 226 H CYS 680 HN CYS 680 -2.504 -8.389 -20.816 227 HA CYS 680 HA CYS 680 -1.261 -7.134 -18.434 228 HB2 CYS 680 HB2 CYS 680 -3.090 -5.614 -18.088 229 HB3 CYS 680 HB1 CYS 680 -2.621 -5.426 -19.774 230 H HIS 681 HN HIS 681 -2.293 -9.894 -19.401 231 HA HIS 681 HA HIS 681 -3.173 -11.787 -18.524 232 HB2 HIS 681 HB2 HIS 681 -2.554 -10.316 -15.924 233 HB3 HIS 681 HB1 HIS 681 -2.992 -12.019 -16.004 234 HD1 HIS 681 HD1 HIS 681 -0.625 -12.417 -14.857 235 HD2 HIS 681 HD2 HIS 681 -0.467 -10.971 -18.761 236 HE1 HIS 681 HE1 HIS 681 1.746 -12.791 -15.623 237 HE2 HIS 681 HE2 HIS 681 1.843 -11.802 -17.937 238 H LEU 682 HN LEU 682 -5.148 -10.038 -19.402 239 HA LEU 682 HA LEU 682 -7.240 -9.858 -17.306 240 HB2 LEU 682 HB2 LEU 682 -6.361 -7.770 -18.503 241 HB3 LEU 682 HB1 LEU 682 -7.069 -8.384 -19.977 242 HG LEU 682 HG LEU 682 -8.385 -6.571 -18.894 243 HD11 LEU 682 HD11 LEU 682 -10.594 -7.535 -19.076 244 HD12 LEU 682 HD12 LEU 682 -9.926 -9.167 -18.981 245 HD13 LEU 682 HD13 LEU 682 -9.549 -8.133 -20.363 246 HD21 LEU 682 HD21 LEU 682 -7.893 -7.075 -16.558 247 HD22 LEU 682 HD22 LEU 682 -8.883 -8.534 -16.652 248 HD23 LEU 682 HD23 LEU 682 -9.628 -6.943 -16.839 249 H TRP 683 HN TRP 683 -8.789 -11.389 -17.463 250 HA TRP 683 HA TRP 683 -9.073 -12.997 -19.894 251 HB2 TRP 683 HB2 TRP 683 -10.697 -13.473 -17.369 252 HB3 TRP 683 HB1 TRP 683 -10.182 -14.634 -18.587 253 HD1 TRP 683 HD1 TRP 683 -9.732 -14.524 -15.239 254 HE1 TRP 683 HE1 TRP 683 -7.391 -15.095 -14.376 255 HE3 TRP 683 HE3 TRP 683 -7.016 -13.802 -19.541 256 HZ2 TRP 683 HZ2 TRP 683 -4.770 -15.228 -15.333 257 HZ3 TRP 683 HZ3 TRP 683 -4.592 -14.179 -19.462 258 HH2 TRP 683 HH2 TRP 683 -3.491 -14.878 -17.399 259 H GLN 684 HN GLN 684 -10.674 -12.601 -21.316 260 HA GLN 684 HA GLN 684 -13.169 -11.316 -20.527 261 HB2 GLN 684 HB2 GLN 684 -11.341 -9.552 -21.162 262 HB3 GLN 684 HB1 GLN 684 -11.543 -10.131 -22.803 263 HG2 GLN 684 HG2 GLN 684 -13.274 -8.721 -23.082 264 HG3 GLN 684 HG1 GLN 684 -14.168 -9.567 -21.839 265 HE21 GLN 684 HE21 GLN 684 -12.500 -8.835 -19.629 266 HE22 GLN 684 HE22 GLN 684 -12.706 -7.153 -19.356 267 H HIS 685 HN HIS 685 -14.801 -11.507 -22.223 268 HA HIS 685 HA HIS 685 -14.534 -13.831 -23.882 269 HB2 HIS 685 HB2 HIS 685 -16.778 -11.811 -23.581 270 HB3 HIS 685 HB1 HIS 685 -16.857 -13.110 -24.757 271 HD2 HIS 685 HD2 HIS 685 -16.664 -15.780 -23.448 272 HE1 HIS 685 HE1 HIS 685 -18.576 -14.207 -20.010 273 HE2 HIS 685 HE2 HIS 685 -17.765 -16.317 -21.156 274 H ALA 686 HN ALA 686 -14.366 -13.958 -26.097 275 HA ALA 686 HA ALA 686 -13.093 -11.978 -27.606 276 HB1 ALA 686 HB1 ALA 686 -13.079 -14.367 -28.194 277 HB2 ALA 686 HB2 ALA 686 -13.662 -13.404 -29.553 278 HB3 ALA 686 HB3 ALA 686 -14.806 -14.309 -28.552 279 H LYS 687 HN LYS 687 -16.506 -12.909 -27.399 280 HA LYS 687 HA LYS 687 -17.474 -11.117 -29.376 281 HB2 LYS 687 HB2 LYS 687 -19.107 -12.385 -27.139 282 HB3 LYS 687 HB1 LYS 687 -19.670 -11.869 -28.722 283 HG2 LYS 687 HG2 LYS 687 -17.847 -14.215 -28.136 284 HG3 LYS 687 HG1 LYS 687 -19.546 -14.303 -28.599 285 HD2 LYS 687 HD2 LYS 687 -17.473 -13.028 -30.420 286 HD3 LYS 687 HD1 LYS 687 -17.717 -14.771 -30.401 287 HE2 LYS 687 HE2 LYS 687 -18.978 -13.833 -32.225 288 HE3 LYS 687 HE1 LYS 687 -20.109 -14.401 -31.000 289 HZ1 LYS 687 HZ1 LYS 687 -19.274 -11.575 -31.323 290 HZ2 LYS 687 HZ2 LYS 687 -20.482 -12.162 -30.298 291 HZ3 LYS 687 HZ3 LYS 687 -20.683 -12.237 -31.976 292 H CYS 688 HN CYS 688 -16.717 -10.718 -26.001 293 HA CYS 688 HA CYS 688 -18.354 -8.370 -25.554 294 HB2 CYS 688 HB2 CYS 688 -16.182 -9.695 -23.896 295 HB3 CYS 688 HB1 CYS 688 -17.004 -8.222 -23.388 296 H VAL 689 HN VAL 689 -15.058 -9.005 -26.675 297 HA VAL 689 HA VAL 689 -14.362 -6.129 -26.533 298 HB VAL 689 HB VAL 689 -12.062 -6.723 -27.021 299 HG11 VAL 689 HG11 VAL 689 -11.496 -8.086 -25.051 300 HG12 VAL 689 HG12 VAL 689 -13.174 -8.618 -24.923 301 HG13 VAL 689 HG13 VAL 689 -12.767 -6.921 -24.670 302 HG21 VAL 689 HG21 VAL 689 -12.391 -8.547 -28.635 303 HG22 VAL 689 HG22 VAL 689 -12.974 -9.608 -27.352 304 HG23 VAL 689 HG23 VAL 689 -11.296 -9.058 -27.347 305 H ASN 690 HN ASN 690 -16.054 -7.921 -28.600 306 HA ASN 690 HA ASN 690 -16.657 -7.891 -30.767 307 HB2 ASN 690 HB2 ASN 690 -14.891 -5.406 -31.029 308 HB3 ASN 690 HB1 ASN 690 -16.002 -5.989 -32.265 309 HD21 ASN 690 HD21 ASN 690 -15.750 -4.513 -29.100 310 HD22 ASN 690 HD22 ASN 690 -17.383 -3.946 -29.011 311 H TYR 691 HN TYR 691 -15.595 -9.882 -30.840 312 HA TYR 691 HA TYR 691 -13.464 -10.256 -32.740 313 HB2 TYR 691 HB2 TYR 691 -12.321 -9.495 -30.546 314 HB3 TYR 691 HB1 TYR 691 -12.912 -10.965 -29.808 315 HD1 TYR 691 HD1 TYR 691 -11.960 -13.195 -30.580 316 HD2 TYR 691 HD2 TYR 691 -10.304 -9.474 -31.864 317 HE1 TYR 691 HE1 TYR 691 -9.876 -14.324 -31.186 318 HE2 TYR 691 HE2 TYR 691 -8.216 -10.620 -32.472 319 HH TYR 691 HH TYR 691 -7.007 -12.713 -31.864 320 H ASP 692 HN ASP 692 -13.151 -12.697 -33.042 321 HA ASP 692 HA ASP 692 -15.117 -14.408 -31.655 322 HB2 ASP 692 HB2 ASP 692 -16.152 -13.537 -33.811 323 HB3 ASP 692 HB1 ASP 692 -14.901 -14.397 -34.696 324 H GLU 693 HN GLU 693 -14.682 -16.722 -31.921 325 HA GLU 693 HA GLU 693 -11.940 -17.115 -31.287 326 HB2 GLU 693 HB2 GLU 693 -12.509 -19.348 -30.620 327 HB3 GLU 693 HB1 GLU 693 -13.771 -18.266 -30.096 328 HG2 GLU 693 HG2 GLU 693 -15.198 -19.818 -30.916 329 HG3 GLU 693 HG1 GLU 693 -14.817 -19.114 -32.489 330 H LYS 694 HN LYS 694 -13.667 -17.499 -34.197 331 HA LYS 694 HA LYS 694 -12.327 -19.582 -35.514 332 HB2 LYS 694 HB2 LYS 694 -13.745 -17.092 -36.528 333 HB3 LYS 694 HB1 LYS 694 -13.042 -18.249 -37.643 334 HG2 LYS 694 HG2 LYS 694 -15.491 -18.532 -37.337 335 HG3 LYS 694 HG1 LYS 694 -14.572 -19.985 -36.946 336 HD2 LYS 694 HD2 LYS 694 -14.884 -19.642 -34.581 337 HD3 LYS 694 HD1 LYS 694 -15.525 -18.017 -34.831 338 HE2 LYS 694 HE2 LYS 694 -16.904 -20.550 -35.779 339 HE3 LYS 694 HE1 LYS 694 -17.270 -19.725 -34.264 340 HZ1 LYS 694 HZ1 LYS 694 -18.817 -19.052 -35.944 341 HZ2 LYS 694 HZ2 LYS 694 -17.572 -18.605 -36.996 342 HZ3 LYS 694 HZ3 LYS 694 -17.824 -17.736 -35.568 343 H ASN 695 HN ASN 695 -11.231 -16.394 -34.727 344 HA ASN 695 HA ASN 695 -8.633 -16.953 -36.028 345 HB2 ASN 695 HB2 ASN 695 -8.360 -14.528 -36.416 346 HB3 ASN 695 HB1 ASN 695 -9.765 -15.169 -37.263 347 HD21 ASN 695 HD21 ASN 695 -8.687 -13.186 -34.592 348 HD22 ASN 695 HD22 ASN 695 -10.194 -12.373 -34.345 349 H LEU 696 HN LEU 696 -10.139 -16.698 -33.070 350 HA LEU 696 HA LEU 696 -8.156 -15.589 -31.381 351 HB2 LEU 696 HB2 LEU 696 -10.312 -16.227 -30.494 352 HB3 LEU 696 HB1 LEU 696 -10.106 -17.883 -31.016 353 HG LEU 696 HG LEU 696 -8.273 -18.124 -29.274 354 HD11 LEU 696 HD11 LEU 696 -9.298 -15.448 -28.290 355 HD12 LEU 696 HD12 LEU 696 -7.692 -15.780 -28.950 356 HD13 LEU 696 HD13 LEU 696 -8.188 -16.518 -27.429 357 HD21 LEU 696 HD21 LEU 696 -9.839 -18.419 -27.405 358 HD22 LEU 696 HD22 LEU 696 -10.536 -19.007 -28.913 359 HD23 LEU 696 HD23 LEU 696 -11.054 -17.453 -28.248 360 H LYS 697 HN LYS 697 -8.460 -18.664 -33.018 361 HA LYS 697 HA LYS 697 -6.017 -19.801 -31.922 362 HB2 LYS 697 HB2 LYS 697 -8.181 -20.713 -33.795 363 HB3 LYS 697 HB1 LYS 697 -6.632 -21.525 -33.924 364 HG2 LYS 697 HG2 LYS 697 -8.089 -22.803 -32.489 365 HG3 LYS 697 HG1 LYS 697 -6.775 -22.135 -31.515 366 HD2 LYS 697 HD2 LYS 697 -8.733 -21.831 -30.199 367 HD3 LYS 697 HD1 LYS 697 -8.401 -20.245 -30.902 368 HE2 LYS 697 HE2 LYS 697 -10.772 -20.637 -31.063 369 HE3 LYS 697 HE1 LYS 697 -10.087 -20.748 -32.684 370 HZ1 LYS 697 HZ1 LYS 697 -10.181 -23.122 -32.563 371 HZ2 LYS 697 HZ2 LYS 697 -11.714 -22.482 -32.234 372 HZ3 LYS 697 HZ3 LYS 697 -10.747 -23.074 -30.974 373 H ILE 698 HN ILE 698 -6.407 -17.383 -34.187 374 HA ILE 698 HA ILE 698 -3.989 -18.163 -35.758 375 HB ILE 698 HB ILE 698 -6.125 -16.217 -36.769 376 HG12 ILE 698 HG12 ILE 698 -5.987 -19.182 -37.488 377 HG13 ILE 698 HG11 ILE 698 -7.186 -18.446 -36.422 378 HG21 ILE 698 HG21 ILE 698 -5.112 -16.610 -38.979 379 HG22 ILE 698 HG22 ILE 698 -3.943 -17.722 -38.266 380 HG23 ILE 698 HG23 ILE 698 -3.918 -16.012 -37.827 381 HD11 ILE 698 HD11 ILE 698 -7.938 -17.026 -38.318 382 HD12 ILE 698 HD12 ILE 698 -8.153 -18.760 -38.578 383 HD13 ILE 698 HD13 ILE 698 -6.824 -17.913 -39.369 384 H LYS 699 HN LYS 699 -5.900 -15.249 -35.192 385 HA LYS 699 HA LYS 699 -3.603 -13.503 -35.318 386 HB2 LYS 699 HB2 LYS 699 -6.592 -12.990 -35.061 387 HB3 LYS 699 HB1 LYS 699 -5.394 -11.714 -35.275 388 HG2 LYS 699 HG2 LYS 699 -4.906 -12.362 -37.487 389 HG3 LYS 699 HG1 LYS 699 -5.574 -13.969 -37.266 390 HD2 LYS 699 HD2 LYS 699 -7.047 -12.666 -38.704 391 HD3 LYS 699 HD1 LYS 699 -7.857 -13.002 -37.175 392 HE2 LYS 699 HE2 LYS 699 -7.325 -10.737 -36.389 393 HE3 LYS 699 HE1 LYS 699 -6.500 -10.405 -37.914 394 HZ1 LYS 699 HZ1 LYS 699 -8.625 -10.759 -39.055 395 HZ2 LYS 699 HZ2 LYS 699 -8.702 -9.492 -37.939 396 HZ3 LYS 699 HZ3 LYS 699 -9.387 -10.990 -37.562 397 HA PRO 700 HA PRO 700 -3.106 -12.512 -30.893 398 HB2 PRO 700 HB2 PRO 700 -2.866 -9.710 -31.184 399 HB3 PRO 700 HB1 PRO 700 -1.545 -10.883 -31.270 400 HG2 PRO 700 HG2 PRO 700 -3.153 -9.656 -33.506 401 HG3 PRO 700 HG1 PRO 700 -1.398 -9.938 -33.387 402 HD2 PRO 700 HD2 PRO 700 -2.930 -11.551 -34.847 403 HD3 PRO 700 HD1 PRO 700 -1.634 -12.245 -33.841 404 H PHE 701 HN PHE 701 -4.145 -11.407 -29.167 405 HA PHE 701 HA PHE 701 -6.840 -10.373 -29.621 406 HB2 PHE 701 HB2 PHE 701 -7.723 -12.140 -27.969 407 HB3 PHE 701 HB1 PHE 701 -7.399 -12.674 -29.608 408 HD1 PHE 701 HD1 PHE 701 -5.407 -14.131 -30.075 409 HD2 PHE 701 HD2 PHE 701 -6.509 -13.057 -26.076 410 HE1 PHE 701 HE1 PHE 701 -4.014 -15.957 -29.194 411 HE2 PHE 701 HE2 PHE 701 -5.116 -14.895 -25.216 412 HZ PHE 701 HZ PHE 701 -3.867 -16.337 -26.769 413 H TYR 702 HN TYR 702 -7.079 -8.676 -28.340 414 HA TYR 702 HA TYR 702 -5.953 -8.671 -25.613 415 HB2 TYR 702 HB2 TYR 702 -5.603 -6.371 -27.598 416 HB3 TYR 702 HB1 TYR 702 -5.134 -6.332 -25.901 417 HD1 TYR 702 HD1 TYR 702 -3.392 -8.172 -25.136 418 HD2 TYR 702 HD2 TYR 702 -3.998 -7.038 -29.212 419 HE1 TYR 702 HE1 TYR 702 -1.201 -9.118 -25.726 420 HE2 TYR 702 HE2 TYR 702 -1.806 -7.985 -29.798 421 HH TYR 702 HH TYR 702 -0.067 -10.034 -27.784 422 H CYS 703 HN CYS 703 -6.951 -7.204 -24.182 423 HA CYS 703 HA CYS 703 -9.792 -6.822 -24.498 424 HB2 CYS 703 HB2 CYS 703 -9.763 -6.174 -22.183 425 HB3 CYS 703 HB1 CYS 703 -8.528 -7.426 -22.326 426 HA PRO 704 HA PRO 704 -10.180 -2.963 -26.435 427 HB2 PRO 704 HB2 PRO 704 -11.830 -1.378 -24.807 428 HB3 PRO 704 HB1 PRO 704 -12.407 -2.690 -25.842 429 HG2 PRO 704 HG2 PRO 704 -11.706 -2.765 -22.903 430 HG3 PRO 704 HG1 PRO 704 -13.154 -3.402 -23.717 431 HD2 PRO 704 HD2 PRO 704 -11.210 -5.069 -23.068 432 HD3 PRO 704 HD1 PRO 704 -11.955 -5.212 -24.679 433 H HIS 705 HN HIS 705 -9.326 -2.440 -23.019 434 HA HIS 705 HA HIS 705 -8.564 0.299 -23.314 435 HB2 HIS 705 HB2 HIS 705 -7.992 -1.667 -21.057 436 HB3 HIS 705 HB1 HIS 705 -7.671 0.066 -20.978 437 HD1 HIS 705 HD1 HIS 705 -9.979 1.547 -21.565 438 HD2 HIS 705 HD2 HIS 705 -10.428 -2.278 -19.997 439 HE1 HIS 705 HE1 HIS 705 -12.325 1.459 -20.668 440 HE2 HIS 705 HE2 HIS 705 -12.504 -0.798 -19.560 441 H CYS 706 HN CYS 706 -6.799 -2.733 -23.659 442 HA CYS 706 HA CYS 706 -4.162 -1.609 -23.623 443 HB2 CYS 706 HB2 CYS 706 -5.254 -4.238 -24.637 444 HB3 CYS 706 HB1 CYS 706 -3.568 -3.797 -24.904 445 H LEU 707 HN LEU 707 -6.585 -2.101 -26.174 446 HA LEU 707 HA LEU 707 -5.001 -1.626 -28.454 447 HB2 LEU 707 HB2 LEU 707 -7.950 -1.120 -27.913 448 HB3 LEU 707 HB1 LEU 707 -7.229 -0.693 -29.453 449 HG LEU 707 HG LEU 707 -6.618 -3.082 -29.824 450 HD11 LEU 707 HD11 LEU 707 -7.574 -4.859 -28.439 451 HD12 LEU 707 HD12 LEU 707 -8.201 -3.659 -27.307 452 HD13 LEU 707 HD13 LEU 707 -6.458 -3.859 -27.509 453 HD21 LEU 707 HD21 LEU 707 -8.894 -3.892 -30.320 454 HD22 LEU 707 HD22 LEU 707 -8.692 -2.206 -30.791 455 HD23 LEU 707 HD23 LEU 707 -9.575 -2.608 -29.315 456 H VAL 708 HN VAL 708 -6.993 0.652 -26.585 457 HA VAL 708 HA VAL 708 -6.222 3.045 -27.872 458 HB VAL 708 HB VAL 708 -7.307 2.640 -25.042 459 HG11 VAL 708 HG11 VAL 708 -8.158 4.957 -25.207 460 HG12 VAL 708 HG12 VAL 708 -7.363 5.142 -26.771 461 HG13 VAL 708 HG13 VAL 708 -6.397 4.910 -25.312 462 HG21 VAL 708 HG21 VAL 708 -8.827 3.132 -27.636 463 HG22 VAL 708 HG22 VAL 708 -9.545 3.038 -26.024 464 HG23 VAL 708 HG23 VAL 708 -8.781 1.615 -26.735 465 H ALA 709 HN ALA 709 -4.794 1.259 -25.193 466 HA ALA 709 HA ALA 709 -3.091 3.310 -24.164 467 HB1 ALA 709 HB1 ALA 709 -3.770 1.367 -22.810 468 HB2 ALA 709 HB2 ALA 709 -2.013 1.509 -22.882 469 HB3 ALA 709 HB3 ALA 709 -2.843 0.296 -23.864 470 H MET 710 HN MET 710 -2.664 0.783 -26.606 471 HA MET 710 HA MET 710 0.192 1.232 -26.936 472 HB2 MET 710 HB2 MET 710 -1.740 -0.537 -28.500 473 HB3 MET 710 HB1 MET 710 0.004 -0.507 -28.728 474 HG2 MET 710 HG2 MET 710 0.331 -1.336 -26.442 475 HG3 MET 710 HG1 MET 710 -1.414 -1.337 -26.184 476 HE1 MET 710 HE1 MET 710 -2.568 -4.206 -28.656 477 HE2 MET 710 HE2 MET 710 -2.515 -2.482 -29.019 478 HE3 MET 710 HE3 MET 710 -3.104 -3.036 -27.449 479 H GLU 711 HN GLU 711 -2.804 2.004 -28.616 480 HA GLU 711 HA GLU 711 -1.573 3.261 -30.917 481 HB2 GLU 711 HB2 GLU 711 -4.457 3.158 -29.901 482 HB3 GLU 711 HB1 GLU 711 -3.983 3.939 -31.411 483 HG2 GLU 711 HG2 GLU 711 -3.171 1.783 -32.284 484 HG3 GLU 711 HG1 GLU 711 -3.603 0.998 -30.763 485 HA PRO 712 HA PRO 712 -1.130 7.571 -29.541 486 HB2 PRO 712 HB2 PRO 712 -2.771 8.869 -31.472 487 HB3 PRO 712 HB1 PRO 712 -1.040 8.548 -31.610 488 HG2 PRO 712 HG2 PRO 712 -3.364 6.970 -32.680 489 HG3 PRO 712 HG1 PRO 712 -1.794 7.309 -33.438 490 HD2 PRO 712 HD2 PRO 712 -2.273 4.911 -32.390 491 HD3 PRO 712 HD1 PRO 712 -0.680 5.671 -32.152 492 H VAL 713 HN VAL 713 -2.082 8.602 -27.915 493 HA VAL 713 HA VAL 713 -4.633 7.893 -26.907 494 HB VAL 713 HB VAL 713 -4.229 9.654 -25.163 495 HG11 VAL 713 HG11 VAL 713 -3.341 7.386 -24.827 496 HG12 VAL 713 HG12 VAL 713 -2.246 8.586 -24.137 497 HG13 VAL 713 HG13 VAL 713 -1.856 7.820 -25.678 498 HG21 VAL 713 HG21 VAL 713 -3.062 11.340 -26.545 499 HG22 VAL 713 HG22 VAL 713 -1.682 10.255 -26.732 500 HG23 VAL 713 HG23 VAL 713 -2.082 10.905 -25.141 501 H SER 714 HN SER 714 -6.390 9.341 -26.371 502 HA SER 714 HA SER 714 -7.326 10.893 -28.595 503 HB2 SER 714 HB2 SER 714 -8.531 10.473 -25.824 504 HB3 SER 714 HB1 SER 714 -9.377 11.135 -27.226 505 HG SER 714 HG SER 714 -8.205 8.744 -27.794 506 H THR 715 HN THR 715 -8.166 13.126 -28.338 507 HA THR 715 HA THR 715 -6.666 14.815 -26.437 508 HB THR 715 HB THR 715 -6.879 15.475 -29.413 509 HG1 THR 715 HG1 THR 715 -5.558 13.557 -28.936 510 HG21 THR 715 HG21 THR 715 -6.501 17.425 -27.915 511 HG22 THR 715 HG22 THR 715 -5.095 17.108 -28.933 512 HG23 THR 715 HG23 THR 715 -5.079 16.619 -27.239 513 H ARG 716 HN ARG 716 -7.675 16.810 -25.982 514 HA ARG 716 HA ARG 716 -10.561 16.856 -26.330 515 HB2 ARG 716 HB2 ARG 716 -8.686 18.617 -24.696 516 HB3 ARG 716 HB1 ARG 716 -10.443 18.794 -24.719 517 HG2 ARG 716 HG2 ARG 716 -8.967 16.289 -23.857 518 HG3 ARG 716 HG1 ARG 716 -9.595 17.516 -22.749 519 HD2 ARG 716 HD2 ARG 716 -11.886 17.053 -23.571 520 HD3 ARG 716 HD1 ARG 716 -11.241 15.820 -24.664 521 HE ARG 716 HE ARG 716 -10.674 15.497 -21.819 522 HH11 ARG 716 HH11 ARG 716 -12.661 14.487 -24.541 523 HH12 ARG 716 HH12 ARG 716 -13.253 13.072 -23.726 524 HH21 ARG 716 HH21 ARG 716 -11.479 13.662 -20.764 525 HH22 ARG 716 HH22 ARG 716 -12.594 12.617 -21.584 Start of MODEL 3 1 H PHE 652 HT1 PHE 652 -0.168 -13.548 1.143 2 HA PHE 652 HA PHE 652 1.790 -12.251 1.332 3 HB2 PHE 652 HB2 PHE 652 2.498 -13.426 -1.395 4 HB3 PHE 652 HB1 PHE 652 3.344 -12.068 -0.666 5 HD1 PHE 652 HD2 PHE 652 2.815 -15.719 -0.521 6 HD2 PHE 652 HD1 PHE 652 4.871 -12.406 1.228 7 HE1 PHE 652 HE2 PHE 652 4.331 -17.267 0.649 8 HE2 PHE 652 HE1 PHE 652 6.383 -13.960 2.391 9 HZ PHE 652 HZ PHE 652 6.114 -16.392 2.104 10 H ASN 653 HN ASN 653 0.265 -10.629 1.404 11 HA ASN 653 HA ASN 653 -1.177 -9.757 -0.989 12 HB2 ASN 653 HB2 ASN 653 -1.246 -8.790 1.902 13 HB3 ASN 653 HB1 ASN 653 -2.223 -8.089 0.615 14 HD21 ASN 653 HD21 ASN 653 -3.838 -9.373 -0.363 15 HD22 ASN 653 HD22 ASN 653 -4.538 -10.713 0.466 16 H THR 654 HN THR 654 0.544 -9.001 -2.292 17 HA THR 654 HA THR 654 1.864 -6.487 -1.484 18 HB THR 654 HB THR 654 2.985 -6.791 -3.822 19 HG1 THR 654 HG1 THR 654 2.937 -8.946 -4.600 20 HG21 THR 654 HG21 THR 654 4.211 -7.221 -1.732 21 HG22 THR 654 HG22 THR 654 4.643 -8.411 -2.962 22 HG23 THR 654 HG23 THR 654 3.537 -8.851 -1.660 23 H SER 655 HN SER 655 0.512 -7.554 -4.614 24 HA SER 655 HA SER 655 -1.526 -5.478 -4.682 25 HB2 SER 655 HB2 SER 655 0.698 -5.536 -6.778 26 HB3 SER 655 HB1 SER 655 -0.736 -4.512 -6.818 27 HG SER 655 HG SER 655 1.411 -4.421 -4.959 28 H ASP 656 HN ASP 656 -3.061 -7.050 -4.945 29 HA ASP 656 HA ASP 656 -2.819 -9.238 -6.791 30 HB2 ASP 656 HB2 ASP 656 -5.127 -9.755 -6.136 31 HB3 ASP 656 HB1 ASP 656 -4.124 -9.450 -4.727 32 H TYR 657 HN TYR 657 -4.725 -9.573 -8.387 33 HA TYR 657 HA TYR 657 -5.177 -7.128 -9.999 34 HB2 TYR 657 HB2 TYR 657 -4.143 -9.782 -11.110 35 HB3 TYR 657 HB1 TYR 657 -4.502 -8.339 -12.049 36 HD1 TYR 657 HD2 TYR 657 -3.021 -6.285 -11.766 37 HD2 TYR 657 HD1 TYR 657 -1.993 -10.054 -10.031 38 HE1 TYR 657 HE2 TYR 657 -0.705 -5.517 -11.468 39 HE2 TYR 657 HE1 TYR 657 0.324 -9.276 -9.727 40 HH TYR 657 HH TYR 657 1.857 -7.603 -10.699 41 H ARG 658 HN ARG 658 -7.246 -6.978 -10.627 42 HA ARG 658 HA ARG 658 -9.097 -9.224 -10.332 43 HB2 ARG 658 HB2 ARG 658 -9.482 -6.255 -10.857 44 HB3 ARG 658 HB1 ARG 658 -10.811 -7.384 -11.049 45 HG2 ARG 658 HG2 ARG 658 -10.992 -6.336 -8.894 46 HG3 ARG 658 HG1 ARG 658 -10.575 -8.033 -8.656 47 HD2 ARG 658 HD2 ARG 658 -9.313 -6.593 -7.123 48 HD3 ARG 658 HD1 ARG 658 -8.225 -7.400 -8.259 49 HE ARG 658 HE ARG 658 -9.058 -4.798 -9.147 50 HH11 ARG 658 HH11 ARG 658 -6.713 -6.394 -7.073 51 HH12 ARG 658 HH12 ARG 658 -5.546 -5.123 -7.235 52 HH21 ARG 658 HH21 ARG 658 -7.543 -3.159 -9.330 53 HH22 ARG 658 HH22 ARG 658 -6.037 -3.281 -8.481 54 H PHE 659 HN PHE 659 -7.909 -10.370 -12.057 55 HA PHE 659 HA PHE 659 -8.405 -9.539 -14.789 56 HB2 PHE 659 HB2 PHE 659 -7.410 -11.972 -15.238 57 HB3 PHE 659 HB1 PHE 659 -6.378 -10.615 -14.831 58 HD1 PHE 659 HD2 PHE 659 -8.075 -13.596 -13.315 59 HD2 PHE 659 HD1 PHE 659 -4.896 -10.761 -13.000 60 HE1 PHE 659 HE2 PHE 659 -7.117 -14.868 -11.442 61 HE2 PHE 659 HE1 PHE 659 -3.945 -12.036 -11.126 62 HZ PHE 659 HZ PHE 659 -5.057 -14.085 -10.340 63 H GLU 660 HN GLU 660 -10.557 -9.482 -15.111 64 HA GLU 660 HA GLU 660 -11.790 -11.967 -15.840 65 HB2 GLU 660 HB2 GLU 660 -12.355 -11.613 -13.303 66 HB3 GLU 660 HB1 GLU 660 -13.394 -10.298 -13.846 67 HG2 GLU 660 HG2 GLU 660 -14.384 -12.187 -15.450 68 HG3 GLU 660 HG1 GLU 660 -13.685 -13.269 -14.253 69 H CYS 661 HN CYS 661 -13.858 -11.567 -17.039 70 HA CYS 661 HA CYS 661 -13.483 -9.494 -18.902 71 HB2 CYS 661 HB2 CYS 661 -14.566 -11.666 -19.443 72 HB3 CYS 661 HB1 CYS 661 -15.995 -11.151 -18.538 73 H ILE 662 HN ILE 662 -14.737 -7.666 -19.468 74 HA ILE 662 HA ILE 662 -15.368 -5.987 -17.277 75 HB ILE 662 HB ILE 662 -16.160 -4.332 -19.019 76 HG12 ILE 662 HG12 ILE 662 -15.510 -6.610 -20.959 77 HG13 ILE 662 HG11 ILE 662 -17.102 -5.913 -20.681 78 HG21 ILE 662 HG21 ILE 662 -13.446 -5.603 -19.544 79 HG22 ILE 662 HG22 ILE 662 -13.807 -4.393 -18.310 80 HG23 ILE 662 HG23 ILE 662 -13.931 -3.971 -20.019 81 HD11 ILE 662 HD11 ILE 662 -14.736 -4.550 -21.959 82 HD12 ILE 662 HD12 ILE 662 -16.297 -3.784 -21.640 83 HD13 ILE 662 HD13 ILE 662 -16.188 -5.141 -22.762 84 H CYS 663 HN CYS 663 -17.505 -8.050 -19.162 85 HA CYS 663 HA CYS 663 -19.957 -6.710 -18.360 86 HB2 CYS 663 HB2 CYS 663 -21.148 -8.541 -19.449 87 HB3 CYS 663 HB1 CYS 663 -19.819 -8.021 -20.483 88 H GLY 664 HN GLY 664 -17.857 -9.006 -16.905 89 HA2 GLY 664 HA2 GLY 664 -17.829 -10.006 -14.856 90 HA3 GLY 664 HA1 GLY 664 -19.134 -8.928 -14.401 91 H GLU 665 HN GLU 665 -19.012 -11.578 -16.789 92 HA GLU 665 HA GLU 665 -21.379 -12.824 -15.497 93 HB2 GLU 665 HB2 GLU 665 -20.650 -12.785 -18.457 94 HB3 GLU 665 HB1 GLU 665 -22.040 -13.609 -17.751 95 HG2 GLU 665 HG2 GLU 665 -22.913 -11.402 -16.983 96 HG3 GLU 665 HG1 GLU 665 -21.555 -10.617 -17.787 97 H LEU 666 HN LEU 666 -19.050 -13.938 -17.985 98 HA LEU 666 HA LEU 666 -18.221 -16.254 -16.361 99 HB2 LEU 666 HB2 LEU 666 -19.463 -16.424 -19.153 100 HB3 LEU 666 HB1 LEU 666 -18.550 -17.740 -18.428 101 HG LEU 666 HG LEU 666 -21.189 -16.634 -17.375 102 HD11 LEU 666 HD11 LEU 666 -21.506 -17.887 -19.454 103 HD12 LEU 666 HD12 LEU 666 -22.144 -18.796 -18.087 104 HD13 LEU 666 HD13 LEU 666 -20.595 -19.254 -18.803 105 HD21 LEU 666 HD21 LEU 666 -19.518 -18.972 -16.383 106 HD22 LEU 666 HD22 LEU 666 -21.139 -18.561 -15.816 107 HD23 LEU 666 HD23 LEU 666 -19.801 -17.450 -15.533 108 H ASP 667 HN ASP 667 -16.407 -17.433 -17.512 109 HA ASP 667 HA ASP 667 -15.250 -16.190 -19.874 110 HB2 ASP 667 HB2 ASP 667 -13.693 -16.459 -17.265 111 HB3 ASP 667 HB1 ASP 667 -12.868 -16.547 -18.816 112 H GLN 668 HN GLN 668 -16.119 -17.992 -20.882 113 HA GLN 668 HA GLN 668 -14.471 -20.443 -20.713 114 HB2 GLN 668 HB2 GLN 668 -16.399 -21.875 -21.091 115 HB3 GLN 668 HB1 GLN 668 -16.690 -20.912 -19.649 116 HG2 GLN 668 HG2 GLN 668 -18.203 -19.443 -20.896 117 HG3 GLN 668 HG1 GLN 668 -17.861 -20.329 -22.388 118 HE21 GLN 668 HE21 GLN 668 -19.492 -20.447 -19.291 119 HE22 GLN 668 HE22 GLN 668 -20.486 -21.812 -19.648 120 H ILE 669 HN ILE 669 -15.026 -21.781 -22.937 121 HA ILE 669 HA ILE 669 -14.868 -19.792 -25.139 122 HB ILE 669 HB ILE 669 -13.874 -22.680 -25.112 123 HG12 ILE 669 HG12 ILE 669 -12.239 -20.089 -25.055 124 HG13 ILE 669 HG11 ILE 669 -12.530 -21.111 -23.647 125 HG21 ILE 669 HG21 ILE 669 -12.786 -22.140 -27.275 126 HG22 ILE 669 HG22 ILE 669 -13.533 -20.543 -27.256 127 HG23 ILE 669 HG23 ILE 669 -14.540 -21.986 -27.382 128 HD11 ILE 669 HD11 ILE 669 -10.326 -21.505 -24.527 129 HD12 ILE 669 HD12 ILE 669 -10.976 -21.855 -26.127 130 HD13 ILE 669 HD13 ILE 669 -11.309 -22.947 -24.780 131 H ASP 670 HN ASP 670 -16.570 -22.641 -24.001 132 HA ASP 670 HA ASP 670 -17.749 -23.547 -26.384 133 HB2 ASP 670 HB2 ASP 670 -17.644 -24.970 -24.408 134 HB3 ASP 670 HB1 ASP 670 -18.671 -23.871 -23.500 135 H ARG 671 HN ARG 671 -19.584 -21.934 -23.754 136 HA ARG 671 HA ARG 671 -21.803 -21.369 -25.513 137 HB2 ARG 671 HB2 ARG 671 -22.177 -22.051 -23.173 138 HB3 ARG 671 HB1 ARG 671 -21.316 -20.633 -22.596 139 HG2 ARG 671 HG2 ARG 671 -23.702 -20.291 -22.338 140 HG3 ARG 671 HG1 ARG 671 -23.083 -19.176 -23.557 141 HD2 ARG 671 HD2 ARG 671 -23.932 -20.658 -25.341 142 HD3 ARG 671 HD1 ARG 671 -24.540 -21.783 -24.120 143 HE ARG 671 HE ARG 671 -25.557 -19.084 -23.858 144 HH11 ARG 671 HH11 ARG 671 -26.154 -22.239 -25.312 145 HH12 ARG 671 HH12 ARG 671 -27.824 -21.897 -25.645 146 HH21 ARG 671 HH21 ARG 671 -27.738 -18.658 -24.309 147 HH22 ARG 671 HH22 ARG 671 -28.717 -19.873 -25.071 148 H LYS 672 HN LYS 672 -19.617 -19.333 -23.563 149 HA LYS 672 HA LYS 672 -20.015 -17.066 -25.443 150 HB2 LYS 672 HB2 LYS 672 -19.627 -16.942 -22.420 151 HB3 LYS 672 HB1 LYS 672 -19.601 -15.554 -23.500 152 HG2 LYS 672 HG2 LYS 672 -21.989 -17.387 -23.065 153 HG3 LYS 672 HG1 LYS 672 -21.752 -15.841 -22.250 154 HD2 LYS 672 HD2 LYS 672 -22.074 -16.217 -25.260 155 HD3 LYS 672 HD1 LYS 672 -23.350 -15.701 -24.156 156 HE2 LYS 672 HE2 LYS 672 -21.915 -13.701 -23.561 157 HE3 LYS 672 HE1 LYS 672 -20.804 -14.195 -24.843 158 HZ1 LYS 672 HZ1 LYS 672 -22.327 -12.509 -25.619 159 HZ2 LYS 672 HZ2 LYS 672 -23.659 -13.452 -25.184 160 HZ3 LYS 672 HZ3 LYS 672 -22.638 -13.962 -26.431 161 HA PRO 673 HA PRO 673 -15.627 -18.370 -25.850 162 HB2 PRO 673 HB2 PRO 673 -15.783 -16.146 -27.886 163 HB3 PRO 673 HB1 PRO 673 -15.009 -17.736 -28.024 164 HG2 PRO 673 HG2 PRO 673 -17.377 -17.271 -29.156 165 HG3 PRO 673 HG1 PRO 673 -17.035 -18.827 -28.379 166 HD2 PRO 673 HD2 PRO 673 -18.732 -16.547 -27.396 167 HD3 PRO 673 HD1 PRO 673 -18.940 -18.296 -27.165 168 H ARG 674 HN ARG 674 -13.640 -17.537 -25.218 169 HA ARG 674 HA ARG 674 -13.647 -14.875 -23.942 170 HB2 ARG 674 HB2 ARG 674 -12.335 -15.820 -22.071 171 HB3 ARG 674 HB1 ARG 674 -13.914 -16.581 -22.204 172 HG2 ARG 674 HG2 ARG 674 -12.966 -18.590 -23.147 173 HG3 ARG 674 HG1 ARG 674 -11.381 -17.838 -23.324 174 HD2 ARG 674 HD2 ARG 674 -10.967 -17.891 -20.990 175 HD3 ARG 674 HD1 ARG 674 -12.664 -18.148 -20.602 176 HE ARG 674 HE ARG 674 -12.438 -20.414 -21.019 177 HH11 ARG 674 HH11 ARG 674 -9.456 -18.829 -21.990 178 HH12 ARG 674 HH12 ARG 674 -8.554 -20.307 -22.033 179 HH21 ARG 674 HH21 ARG 674 -11.246 -22.344 -21.123 180 HH22 ARG 674 HH22 ARG 674 -9.562 -22.290 -21.546 181 H VAL 675 HN VAL 675 -11.913 -13.606 -24.307 182 HA VAL 675 HA VAL 675 -9.503 -14.717 -25.610 183 HB VAL 675 HB VAL 675 -8.957 -12.371 -26.295 184 HG11 VAL 675 HG11 VAL 675 -10.046 -13.856 -27.890 185 HG12 VAL 675 HG12 VAL 675 -10.642 -12.210 -28.111 186 HG13 VAL 675 HG13 VAL 675 -11.636 -13.404 -27.276 187 HG21 VAL 675 HG21 VAL 675 -10.227 -11.096 -24.596 188 HG22 VAL 675 HG22 VAL 675 -11.745 -11.652 -25.297 189 HG23 VAL 675 HG23 VAL 675 -10.681 -10.593 -26.226 190 H GLN 676 HN GLN 676 -7.765 -14.891 -24.435 191 HA GLN 676 HA GLN 676 -7.615 -13.686 -21.759 192 HB2 GLN 676 HB2 GLN 676 -6.157 -15.999 -23.103 193 HB3 GLN 676 HB1 GLN 676 -5.597 -15.319 -21.579 194 HG2 GLN 676 HG2 GLN 676 -7.046 -17.416 -21.446 195 HG3 GLN 676 HG1 GLN 676 -7.484 -16.082 -20.390 196 HE21 GLN 676 HE21 GLN 676 -9.427 -15.007 -20.724 197 HE22 GLN 676 HE22 GLN 676 -10.637 -15.574 -21.805 198 H CYS 677 HN CYS 677 -6.957 -11.631 -22.062 199 HA CYS 677 HA CYS 677 -5.188 -10.755 -24.107 200 HB2 CYS 677 HB2 CYS 677 -6.930 -9.291 -23.113 201 HB3 CYS 677 HB1 CYS 677 -6.044 -9.274 -21.588 202 H LEU 678 HN LEU 678 -3.370 -11.946 -23.925 203 HA LEU 678 HA LEU 678 -1.864 -12.628 -21.702 204 HB2 LEU 678 HB2 LEU 678 -0.055 -13.157 -23.338 205 HB3 LEU 678 HB1 LEU 678 -1.610 -13.841 -23.760 206 HG LEU 678 HG LEU 678 -0.874 -11.207 -25.043 207 HD11 LEU 678 HD11 LEU 678 0.322 -13.843 -25.985 208 HD12 LEU 678 HD12 LEU 678 1.215 -12.488 -25.294 209 HD13 LEU 678 HD13 LEU 678 0.403 -12.303 -26.846 210 HD21 LEU 678 HD21 LEU 678 -2.366 -13.652 -26.055 211 HD22 LEU 678 HD22 LEU 678 -2.035 -12.210 -27.017 212 HD23 LEU 678 HD23 LEU 678 -3.058 -12.094 -25.591 213 H LYS 679 HN LYS 679 -1.807 -9.682 -23.572 214 HA LYS 679 HA LYS 679 0.731 -8.689 -22.949 215 HB2 LYS 679 HB2 LYS 679 -0.795 -7.840 -24.753 216 HB3 LYS 679 HB1 LYS 679 -1.790 -7.079 -23.519 217 HG2 LYS 679 HG2 LYS 679 0.127 -5.640 -22.870 218 HG3 LYS 679 HG1 LYS 679 1.115 -6.399 -24.119 219 HD2 LYS 679 HD2 LYS 679 -1.435 -4.801 -24.630 220 HD3 LYS 679 HD1 LYS 679 0.207 -4.176 -24.813 221 HE2 LYS 679 HE2 LYS 679 -1.011 -6.465 -26.399 222 HE3 LYS 679 HE1 LYS 679 -0.758 -4.825 -26.987 223 HZ1 LYS 679 HZ1 LYS 679 0.978 -6.308 -27.750 224 HZ2 LYS 679 HZ2 LYS 679 1.384 -6.716 -26.159 225 HZ3 LYS 679 HZ3 LYS 679 1.629 -5.139 -26.715 226 H CYS 680 HN CYS 680 -2.347 -8.444 -21.138 227 HA CYS 680 HA CYS 680 -0.870 -7.197 -18.880 228 HB2 CYS 680 HB2 CYS 680 -2.734 -5.748 -18.352 229 HB3 CYS 680 HB1 CYS 680 -2.351 -5.513 -20.047 230 H HIS 681 HN HIS 681 -2.017 -10.000 -19.729 231 HA HIS 681 HA HIS 681 -2.840 -11.887 -18.764 232 HB2 HIS 681 HB2 HIS 681 -1.874 -10.478 -16.237 233 HB3 HIS 681 HB1 HIS 681 -2.304 -12.183 -16.318 234 HD1 HIS 681 HD1 HIS 681 -0.311 -13.634 -16.519 235 HD2 HIS 681 HD2 HIS 681 0.329 -9.944 -18.315 236 HE1 HIS 681 HE1 HIS 681 2.074 -13.678 -17.306 237 HE2 HIS 681 HE2 HIS 681 2.371 -11.511 -18.558 238 H LEU 682 HN LEU 682 -4.879 -10.281 -19.443 239 HA LEU 682 HA LEU 682 -6.750 -10.065 -17.134 240 HB2 LEU 682 HB2 LEU 682 -5.927 -7.880 -18.092 241 HB3 LEU 682 HB1 LEU 682 -6.572 -8.333 -19.653 242 HG LEU 682 HG LEU 682 -7.874 -6.599 -18.298 243 HD11 LEU 682 HD11 LEU 682 -9.483 -8.997 -19.185 244 HD12 LEU 682 HD12 LEU 682 -8.863 -7.724 -20.231 245 HD13 LEU 682 HD13 LEU 682 -10.064 -7.338 -19.004 246 HD21 LEU 682 HD21 LEU 682 -8.751 -8.989 -16.668 247 HD22 LEU 682 HD22 LEU 682 -9.403 -7.350 -16.571 248 HD23 LEU 682 HD23 LEU 682 -7.732 -7.661 -16.105 249 H TRP 683 HN TRP 683 -8.483 -11.360 -17.326 250 HA TRP 683 HA TRP 683 -8.937 -12.882 -19.760 251 HB2 TRP 683 HB2 TRP 683 -10.606 -13.008 -17.210 252 HB3 TRP 683 HB1 TRP 683 -10.435 -14.242 -18.455 253 HD1 TRP 683 HD1 TRP 683 -9.828 -14.496 -15.220 254 HE1 TRP 683 HE1 TRP 683 -7.589 -15.473 -14.482 255 HE3 TRP 683 HE3 TRP 683 -7.101 -13.807 -19.523 256 HZ2 TRP 683 HZ2 TRP 683 -5.039 -15.926 -15.517 257 HZ3 TRP 683 HZ3 TRP 683 -4.761 -14.552 -19.548 258 HH2 TRP 683 HH2 TRP 683 -3.755 -15.592 -17.580 259 H GLN 684 HN GLN 684 -10.643 -12.606 -21.141 260 HA GLN 684 HA GLN 684 -12.848 -10.797 -20.511 261 HB2 GLN 684 HB2 GLN 684 -10.776 -9.506 -21.546 262 HB3 GLN 684 HB1 GLN 684 -11.252 -10.277 -23.048 263 HG2 GLN 684 HG2 GLN 684 -12.452 -8.362 -23.319 264 HG3 GLN 684 HG1 GLN 684 -13.649 -9.204 -22.345 265 HE21 GLN 684 HE21 GLN 684 -12.093 -8.840 -19.829 266 HE22 GLN 684 HE22 GLN 684 -12.268 -7.171 -19.426 267 H HIS 685 HN HIS 685 -14.485 -10.844 -22.405 268 HA HIS 685 HA HIS 685 -14.523 -13.471 -23.697 269 HB2 HIS 685 HB2 HIS 685 -16.629 -11.321 -23.437 270 HB3 HIS 685 HB1 HIS 685 -16.829 -12.648 -24.570 271 HD2 HIS 685 HD2 HIS 685 -16.187 -15.223 -22.789 272 HE1 HIS 685 HE1 HIS 685 -18.997 -13.515 -20.127 273 HE2 HIS 685 HE2 HIS 685 -17.611 -15.577 -20.656 274 H ALA 686 HN ALA 686 -14.355 -13.789 -25.841 275 HA ALA 686 HA ALA 686 -13.311 -11.979 -27.688 276 HB1 ALA 686 HB1 ALA 686 -15.026 -14.439 -28.195 277 HB2 ALA 686 HB2 ALA 686 -13.277 -14.426 -27.973 278 HB3 ALA 686 HB3 ALA 686 -13.986 -13.643 -29.384 279 H LYS 687 HN LYS 687 -16.635 -12.878 -26.941 280 HA LYS 687 HA LYS 687 -17.878 -11.179 -28.932 281 HB2 LYS 687 HB2 LYS 687 -18.844 -13.124 -26.825 282 HB3 LYS 687 HB1 LYS 687 -19.995 -11.990 -27.507 283 HG2 LYS 687 HG2 LYS 687 -20.076 -14.173 -28.651 284 HG3 LYS 687 HG1 LYS 687 -19.644 -12.863 -29.746 285 HD2 LYS 687 HD2 LYS 687 -17.244 -13.547 -29.566 286 HD3 LYS 687 HD1 LYS 687 -17.732 -14.901 -28.541 287 HE2 LYS 687 HE2 LYS 687 -17.382 -15.653 -30.841 288 HE3 LYS 687 HE1 LYS 687 -19.087 -15.803 -30.418 289 HZ1 LYS 687 HZ1 LYS 687 -18.726 -14.870 -32.634 290 HZ2 LYS 687 HZ2 LYS 687 -17.921 -13.543 -31.957 291 HZ3 LYS 687 HZ3 LYS 687 -19.561 -13.801 -31.628 292 H CYS 688 HN CYS 688 -16.364 -10.293 -26.213 293 HA CYS 688 HA CYS 688 -18.152 -7.967 -25.759 294 HB2 CYS 688 HB2 CYS 688 -16.137 -9.248 -23.874 295 HB3 CYS 688 HB1 CYS 688 -16.931 -7.703 -23.561 296 H VAL 689 HN VAL 689 -15.347 -8.933 -27.315 297 HA VAL 689 HA VAL 689 -14.203 -6.189 -27.309 298 HB VAL 689 HB VAL 689 -11.972 -7.083 -27.674 299 HG11 VAL 689 HG11 VAL 689 -13.266 -8.516 -25.319 300 HG12 VAL 689 HG12 VAL 689 -12.690 -6.851 -25.325 301 HG13 VAL 689 HG13 VAL 689 -11.541 -8.177 -25.500 302 HG21 VAL 689 HG21 VAL 689 -12.497 -9.088 -28.987 303 HG22 VAL 689 HG22 VAL 689 -13.177 -9.871 -27.563 304 HG23 VAL 689 HG23 VAL 689 -11.450 -9.511 -27.631 305 H ASN 690 HN ASN 690 -16.143 -8.035 -29.044 306 HA ASN 690 HA ASN 690 -16.870 -8.135 -31.177 307 HB2 ASN 690 HB2 ASN 690 -14.877 -5.887 -31.758 308 HB3 ASN 690 HB1 ASN 690 -16.202 -6.379 -32.812 309 HD21 ASN 690 HD21 ASN 690 -18.356 -5.880 -32.194 310 HD22 ASN 690 HD22 ASN 690 -18.691 -4.652 -31.022 311 H TYR 691 HN TYR 691 -15.712 -10.236 -30.875 312 HA TYR 691 HA TYR 691 -13.818 -10.893 -32.968 313 HB2 TYR 691 HB2 TYR 691 -12.502 -9.764 -31.060 314 HB3 TYR 691 HB1 TYR 691 -12.954 -11.110 -30.034 315 HD1 TYR 691 HD1 TYR 691 -11.004 -10.220 -33.126 316 HD2 TYR 691 HD2 TYR 691 -11.583 -13.068 -29.999 317 HE1 TYR 691 HE1 TYR 691 -8.897 -11.333 -33.734 318 HE2 TYR 691 HE2 TYR 691 -9.481 -14.166 -30.613 319 HH TYR 691 HH TYR 691 -7.182 -12.761 -32.588 320 H ASP 692 HN ASP 692 -13.124 -13.367 -32.448 321 HA ASP 692 HA ASP 692 -15.135 -14.887 -30.962 322 HB2 ASP 692 HB2 ASP 692 -15.675 -16.382 -32.886 323 HB3 ASP 692 HB1 ASP 692 -16.236 -14.730 -33.124 324 H GLU 693 HN GLU 693 -14.607 -17.374 -31.307 325 HA GLU 693 HA GLU 693 -11.905 -17.597 -30.283 326 HB2 GLU 693 HB2 GLU 693 -12.538 -19.791 -29.505 327 HB3 GLU 693 HB1 GLU 693 -13.832 -18.668 -29.145 328 HG2 GLU 693 HG2 GLU 693 -15.064 -20.456 -29.863 329 HG3 GLU 693 HG1 GLU 693 -14.869 -19.601 -31.394 330 H LYS 694 HN LYS 694 -13.463 -18.210 -33.305 331 HA LYS 694 HA LYS 694 -11.880 -20.350 -34.292 332 HB2 LYS 694 HB2 LYS 694 -13.307 -18.195 -35.926 333 HB3 LYS 694 HB1 LYS 694 -12.658 -19.695 -36.567 334 HG2 LYS 694 HG2 LYS 694 -14.980 -20.057 -36.422 335 HG3 LYS 694 HG1 LYS 694 -14.312 -20.919 -35.036 336 HD2 LYS 694 HD2 LYS 694 -15.005 -19.114 -33.533 337 HD3 LYS 694 HD1 LYS 694 -15.546 -18.136 -34.901 338 HE2 LYS 694 HE2 LYS 694 -16.755 -20.804 -34.074 339 HE3 LYS 694 HE1 LYS 694 -17.428 -19.216 -33.702 340 HZ1 LYS 694 HZ1 LYS 694 -18.506 -20.187 -35.616 341 HZ2 LYS 694 HZ2 LYS 694 -17.027 -20.333 -36.422 342 HZ3 LYS 694 HZ3 LYS 694 -17.649 -18.801 -36.073 343 H ASN 695 HN ASN 695 -11.668 -16.808 -34.838 344 HA ASN 695 HA ASN 695 -9.039 -17.021 -36.032 345 HB2 ASN 695 HB2 ASN 695 -9.122 -14.456 -36.023 346 HB3 ASN 695 HB1 ASN 695 -10.282 -15.290 -37.026 347 HD21 ASN 695 HD21 ASN 695 -10.663 -14.863 -33.511 348 HD22 ASN 695 HD22 ASN 695 -11.999 -13.796 -33.646 349 H LEU 696 HN LEU 696 -10.045 -17.092 -32.851 350 HA LEU 696 HA LEU 696 -7.849 -15.762 -31.570 351 HB2 LEU 696 HB2 LEU 696 -9.941 -16.263 -30.415 352 HB3 LEU 696 HB1 LEU 696 -9.713 -17.977 -30.640 353 HG LEU 696 HG LEU 696 -7.801 -16.371 -28.917 354 HD11 LEU 696 HD11 LEU 696 -9.161 -16.938 -26.953 355 HD12 LEU 696 HD12 LEU 696 -10.396 -17.652 -27.995 356 HD13 LEU 696 HD13 LEU 696 -10.058 -15.919 -28.076 357 HD21 LEU 696 HD21 LEU 696 -7.468 -18.536 -27.745 358 HD22 LEU 696 HD22 LEU 696 -7.046 -18.648 -29.450 359 HD23 LEU 696 HD23 LEU 696 -8.575 -19.316 -28.880 360 H LYS 697 HN LYS 697 -8.446 -19.099 -32.710 361 HA LYS 697 HA LYS 697 -5.936 -20.206 -31.928 362 HB2 LYS 697 HB2 LYS 697 -8.060 -21.065 -33.895 363 HB3 LYS 697 HB1 LYS 697 -6.505 -21.877 -33.947 364 HG2 LYS 697 HG2 LYS 697 -7.783 -23.272 -32.563 365 HG3 LYS 697 HG1 LYS 697 -6.844 -22.318 -31.417 366 HD2 LYS 697 HD2 LYS 697 -9.008 -22.309 -30.484 367 HD3 LYS 697 HD1 LYS 697 -8.916 -20.750 -31.306 368 HE2 LYS 697 HE2 LYS 697 -11.038 -21.554 -31.916 369 HE3 LYS 697 HE1 LYS 697 -10.053 -21.988 -33.308 370 HZ1 LYS 697 HZ1 LYS 697 -11.394 -23.827 -32.767 371 HZ2 LYS 697 HZ2 LYS 697 -10.984 -23.761 -31.129 372 HZ3 LYS 697 HZ3 LYS 697 -9.827 -24.230 -32.272 373 H ILE 698 HN ILE 698 -6.514 -17.850 -34.300 374 HA ILE 698 HA ILE 698 -4.135 -18.581 -35.936 375 HB ILE 698 HB ILE 698 -6.282 -16.528 -36.694 376 HG12 ILE 698 HG12 ILE 698 -6.271 -19.466 -37.550 377 HG13 ILE 698 HG11 ILE 698 -7.343 -18.775 -36.331 378 HG21 ILE 698 HG21 ILE 698 -4.153 -16.334 -37.917 379 HG22 ILE 698 HG22 ILE 698 -5.451 -16.847 -38.993 380 HG23 ILE 698 HG23 ILE 698 -4.268 -18.023 -38.422 381 HD11 ILE 698 HD11 ILE 698 -8.496 -19.014 -38.428 382 HD12 ILE 698 HD12 ILE 698 -7.276 -18.048 -39.258 383 HD13 ILE 698 HD13 ILE 698 -8.317 -17.299 -38.041 384 H LYS 699 HN LYS 699 -5.899 -15.713 -34.945 385 HA LYS 699 HA LYS 699 -3.611 -13.946 -35.188 386 HB2 LYS 699 HB2 LYS 699 -6.589 -13.491 -34.750 387 HB3 LYS 699 HB1 LYS 699 -5.436 -12.184 -34.967 388 HG2 LYS 699 HG2 LYS 699 -5.052 -12.717 -37.229 389 HG3 LYS 699 HG1 LYS 699 -5.702 -14.339 -37.052 390 HD2 LYS 699 HD2 LYS 699 -7.238 -12.886 -38.326 391 HD3 LYS 699 HD1 LYS 699 -7.967 -13.453 -36.825 392 HE2 LYS 699 HE2 LYS 699 -7.458 -11.265 -35.768 393 HE3 LYS 699 HE1 LYS 699 -6.750 -10.724 -37.289 394 HZ1 LYS 699 HZ1 LYS 699 -9.016 -9.942 -36.976 395 HZ2 LYS 699 HZ2 LYS 699 -9.576 -11.535 -36.924 396 HZ3 LYS 699 HZ3 LYS 699 -8.884 -10.928 -38.344 397 HA PRO 700 HA PRO 700 -3.193 -12.915 -30.696 398 HB2 PRO 700 HB2 PRO 700 -2.902 -10.154 -30.921 399 HB3 PRO 700 HB1 PRO 700 -1.591 -11.315 -31.176 400 HG2 PRO 700 HG2 PRO 700 -3.413 -10.038 -33.228 401 HG3 PRO 700 HG1 PRO 700 -1.636 -10.168 -33.236 402 HD2 PRO 700 HD2 PRO 700 -3.093 -11.853 -34.675 403 HD3 PRO 700 HD1 PRO 700 -1.708 -12.482 -33.749 404 H PHE 701 HN PHE 701 -4.353 -11.784 -29.026 405 HA PHE 701 HA PHE 701 -6.984 -10.671 -29.628 406 HB2 PHE 701 HB2 PHE 701 -7.978 -12.407 -27.949 407 HB3 PHE 701 HB1 PHE 701 -7.689 -12.925 -29.603 408 HD1 PHE 701 HD2 PHE 701 -5.917 -14.551 -30.114 409 HD2 PHE 701 HD1 PHE 701 -6.640 -13.303 -26.079 410 HE1 PHE 701 HE2 PHE 701 -4.571 -16.428 -29.293 411 HE2 PHE 701 HE1 PHE 701 -5.285 -15.201 -25.272 412 HZ PHE 701 HZ PHE 701 -4.248 -16.757 -26.877 413 H TYR 702 HN TYR 702 -7.412 -9.055 -28.221 414 HA TYR 702 HA TYR 702 -6.121 -9.005 -25.566 415 HB2 TYR 702 HB2 TYR 702 -6.000 -6.649 -27.514 416 HB3 TYR 702 HB1 TYR 702 -5.350 -6.678 -25.878 417 HD1 TYR 702 HD2 TYR 702 -3.559 -8.603 -25.408 418 HD2 TYR 702 HD1 TYR 702 -4.515 -7.123 -29.306 419 HE1 TYR 702 HE2 TYR 702 -1.445 -9.511 -26.271 420 HE2 TYR 702 HE1 TYR 702 -2.401 -8.046 -30.167 421 HH TYR 702 HH TYR 702 -0.219 -8.731 -29.376 422 H CYS 703 HN CYS 703 -6.997 -7.367 -24.153 423 HA CYS 703 HA CYS 703 -9.854 -6.957 -24.282 424 HB2 CYS 703 HB2 CYS 703 -9.644 -6.094 -22.060 425 HB3 CYS 703 HB1 CYS 703 -8.466 -7.398 -22.157 426 HA PRO 704 HA PRO 704 -9.993 -3.109 -26.465 427 HB2 PRO 704 HB2 PRO 704 -11.893 -1.983 -24.414 428 HB3 PRO 704 HB1 PRO 704 -12.129 -2.213 -26.150 429 HG2 PRO 704 HG2 PRO 704 -13.336 -3.817 -24.415 430 HG3 PRO 704 HG1 PRO 704 -12.637 -4.497 -25.904 431 HD2 PRO 704 HD2 PRO 704 -11.493 -4.479 -23.103 432 HD3 PRO 704 HD1 PRO 704 -11.580 -5.820 -24.267 433 H HIS 705 HN HIS 705 -9.485 -2.845 -23.017 434 HA HIS 705 HA HIS 705 -8.866 -0.104 -22.807 435 HB2 HIS 705 HB2 HIS 705 -9.491 -1.778 -20.936 436 HB3 HIS 705 HB1 HIS 705 -7.800 -2.253 -20.942 437 HD1 HIS 705 HD1 HIS 705 -10.100 0.089 -19.433 438 HD2 HIS 705 HD2 HIS 705 -6.023 0.063 -20.260 439 HE1 HIS 705 HE1 HIS 705 -9.112 1.888 -17.978 440 HE2 HIS 705 HE2 HIS 705 -6.674 1.960 -18.622 441 H CYS 706 HN CYS 706 -6.837 -2.914 -23.579 442 HA CYS 706 HA CYS 706 -4.303 -1.593 -23.468 443 HB2 CYS 706 HB2 CYS 706 -5.239 -4.151 -24.773 444 HB3 CYS 706 HB1 CYS 706 -3.623 -3.540 -25.101 445 H LEU 707 HN LEU 707 -6.767 -1.876 -25.963 446 HA LEU 707 HA LEU 707 -5.162 -0.806 -28.103 447 HB2 LEU 707 HB2 LEU 707 -8.142 -1.350 -27.836 448 HB3 LEU 707 HB1 LEU 707 -7.469 -0.570 -29.257 449 HG LEU 707 HG LEU 707 -6.055 -2.603 -29.670 450 HD11 LEU 707 HD11 LEU 707 -7.665 -3.896 -27.453 451 HD12 LEU 707 HD12 LEU 707 -5.943 -3.513 -27.393 452 HD13 LEU 707 HD13 LEU 707 -6.537 -4.712 -28.540 453 HD21 LEU 707 HD21 LEU 707 -7.864 -4.018 -30.547 454 HD22 LEU 707 HD22 LEU 707 -8.183 -2.316 -30.870 455 HD23 LEU 707 HD23 LEU 707 -9.044 -3.141 -29.568 456 H VAL 708 HN VAL 708 -7.140 0.521 -25.569 457 HA VAL 708 HA VAL 708 -7.209 3.237 -26.635 458 HB VAL 708 HB VAL 708 -7.965 2.228 -23.848 459 HG11 VAL 708 HG11 VAL 708 -7.563 4.663 -23.877 460 HG12 VAL 708 HG12 VAL 708 -9.278 4.321 -23.654 461 HG13 VAL 708 HG13 VAL 708 -8.682 4.847 -25.231 462 HG21 VAL 708 HG21 VAL 708 -10.304 2.240 -24.637 463 HG22 VAL 708 HG22 VAL 708 -9.325 1.118 -25.582 464 HG23 VAL 708 HG23 VAL 708 -9.767 2.687 -26.257 465 H ALA 709 HN ALA 709 -5.276 1.305 -24.440 466 HA ALA 709 HA ALA 709 -3.742 3.376 -23.226 467 HB1 ALA 709 HB1 ALA 709 -3.031 0.443 -23.648 468 HB2 ALA 709 HB2 ALA 709 -3.887 1.114 -22.256 469 HB3 ALA 709 HB3 ALA 709 -2.208 1.562 -22.554 470 H MET 710 HN MET 710 -3.233 1.294 -26.051 471 HA MET 710 HA MET 710 -0.714 2.514 -26.795 472 HB2 MET 710 HB2 MET 710 -2.449 0.518 -28.317 473 HB3 MET 710 HB1 MET 710 -0.813 0.990 -28.754 474 HG2 MET 710 HG2 MET 710 0.046 -0.028 -26.685 475 HG3 MET 710 HG1 MET 710 -1.597 -0.486 -26.224 476 HE1 MET 710 HE1 MET 710 -2.462 -3.091 -29.113 477 HE2 MET 710 HE2 MET 710 -2.742 -1.355 -29.200 478 HE3 MET 710 HE3 MET 710 -3.104 -2.230 -27.712 479 H GLU 711 HN GLU 711 -3.821 2.111 -28.529 480 HA GLU 711 HA GLU 711 -4.849 3.148 -30.210 481 HB2 GLU 711 HB2 GLU 711 -3.576 5.641 -29.010 482 HB3 GLU 711 HB1 GLU 711 -4.755 5.691 -30.319 483 HG2 GLU 711 HG2 GLU 711 -6.437 4.635 -28.864 484 HG3 GLU 711 HG1 GLU 711 -5.267 4.560 -27.544 485 HA PRO 712 HA PRO 712 -2.190 3.448 -33.919 486 HB2 PRO 712 HB2 PRO 712 -4.362 5.433 -34.682 487 HB3 PRO 712 HB1 PRO 712 -3.611 4.164 -35.663 488 HG2 PRO 712 HG2 PRO 712 -6.016 3.748 -34.632 489 HG3 PRO 712 HG1 PRO 712 -4.809 2.443 -34.583 490 HD2 PRO 712 HD2 PRO 712 -5.727 4.267 -32.373 491 HD3 PRO 712 HD1 PRO 712 -5.302 2.542 -32.308 492 H VAL 713 HN VAL 713 -0.494 4.802 -34.398 493 HA VAL 713 HA VAL 713 0.298 6.844 -32.691 494 HB VAL 713 HB VAL 713 2.085 7.379 -34.442 495 HG11 VAL 713 HG11 VAL 713 2.458 5.706 -32.663 496 HG12 VAL 713 HG12 VAL 713 3.271 5.225 -34.152 497 HG13 VAL 713 HG13 VAL 713 1.758 4.445 -33.681 498 HG21 VAL 713 HG21 VAL 713 2.311 5.865 -36.402 499 HG22 VAL 713 HG22 VAL 713 0.833 6.822 -36.504 500 HG23 VAL 713 HG23 VAL 713 0.748 5.130 -36.016 501 H SER 714 HN SER 714 -0.774 8.659 -32.355 502 HA SER 714 HA SER 714 -2.451 9.952 -34.298 503 HB2 SER 714 HB2 SER 714 -3.014 9.786 -31.868 504 HB3 SER 714 HB1 SER 714 -1.663 10.852 -31.498 505 HG SER 714 HG SER 714 -3.015 12.161 -33.268 506 H THR 715 HN THR 715 -1.095 10.609 -35.951 507 HA THR 715 HA THR 715 1.005 12.616 -35.376 508 HB THR 715 HB THR 715 0.816 10.879 -37.883 509 HG1 THR 715 HG1 THR 715 1.053 9.607 -35.943 510 HG21 THR 715 HG21 THR 715 2.241 12.911 -38.070 511 HG22 THR 715 HG22 THR 715 3.201 11.434 -38.143 512 HG23 THR 715 HG23 THR 715 3.164 12.382 -36.656 513 H ARG 716 HN ARG 716 0.531 14.641 -36.042 514 HA ARG 716 HA ARG 716 -1.788 15.280 -37.636 515 HB2 ARG 716 HB2 ARG 716 0.393 16.966 -36.349 516 HB3 ARG 716 HB1 ARG 716 -0.917 17.675 -37.282 517 HG2 ARG 716 HG2 ARG 716 -1.536 15.874 -34.931 518 HG3 ARG 716 HG1 ARG 716 -1.084 17.559 -34.662 519 HD2 ARG 716 HD2 ARG 716 -3.530 17.298 -34.714 520 HD3 ARG 716 HD1 ARG 716 -2.979 18.316 -36.046 521 HE ARG 716 HE ARG 716 -3.453 15.467 -36.589 522 HH11 ARG 716 HH11 ARG 716 -4.640 18.760 -36.900 523 HH12 ARG 716 HH12 ARG 716 -5.765 18.355 -38.157 524 HH21 ARG 716 HH21 ARG 716 -4.953 14.961 -38.235 525 HH22 ARG 716 HH22 ARG 716 -5.934 16.219 -38.911 Start of MODEL 4 1 H PHE 652 HT1 PHE 652 3.315 -8.566 -4.217 2 HA PHE 652 HA PHE 652 3.200 -6.597 -2.012 3 HB2 PHE 652 HB2 PHE 652 3.830 -6.228 -4.981 4 HB3 PHE 652 HB1 PHE 652 3.653 -4.914 -3.823 5 HD1 PHE 652 HD1 PHE 652 5.351 -4.642 -1.978 6 HD2 PHE 652 HD2 PHE 652 5.920 -7.464 -5.142 7 HE1 PHE 652 HE1 PHE 652 7.745 -4.784 -1.430 8 HE2 PHE 652 HE2 PHE 652 8.316 -7.598 -4.587 9 HZ PHE 652 HZ PHE 652 9.232 -6.257 -2.731 10 H ASN 653 HN ASN 653 1.188 -5.876 -1.595 11 HA ASN 653 HA ASN 653 -1.052 -6.317 -3.453 12 HB2 ASN 653 HB2 ASN 653 -0.865 -5.406 -0.557 13 HB3 ASN 653 HB1 ASN 653 -2.373 -5.282 -1.451 14 HD21 ASN 653 HD21 ASN 653 -0.054 -7.962 -1.713 15 HD22 ASN 653 HD22 ASN 653 -1.092 -9.153 -1.031 16 H THR 654 HN THR 654 1.133 -4.299 -3.911 17 HA THR 654 HA THR 654 0.386 -1.653 -3.399 18 HB THR 654 HB THR 654 2.030 -1.132 -5.294 19 HG1 THR 654 HG1 THR 654 3.230 -3.166 -5.901 20 HG21 THR 654 HG21 THR 654 2.832 -1.354 -2.960 21 HG22 THR 654 HG22 THR 654 4.018 -2.004 -4.093 22 HG23 THR 654 HG23 THR 654 2.989 -3.102 -3.172 23 H SER 655 HN SER 655 -0.485 -3.827 -6.034 24 HA SER 655 HA SER 655 -2.639 -1.955 -6.802 25 HB2 SER 655 HB2 SER 655 -1.078 -3.718 -8.750 26 HB3 SER 655 HB1 SER 655 -2.425 -2.659 -9.158 27 HG SER 655 HG SER 655 -0.947 -0.978 -8.128 28 H ASP 656 HN ASP 656 -4.597 -2.882 -6.578 29 HA ASP 656 HA ASP 656 -4.995 -5.638 -5.922 30 HB2 ASP 656 HB2 ASP 656 -7.012 -3.519 -6.818 31 HB3 ASP 656 HB1 ASP 656 -7.432 -5.096 -6.153 32 H TYR 657 HN TYR 657 -4.656 -7.203 -7.371 33 HA TYR 657 HA TYR 657 -4.435 -6.698 -10.185 34 HB2 TYR 657 HB2 TYR 657 -4.259 -9.332 -8.654 35 HB3 TYR 657 HB1 TYR 657 -3.739 -9.078 -10.319 36 HD1 TYR 657 HD2 TYR 657 -1.794 -7.446 -10.749 37 HD2 TYR 657 HD1 TYR 657 -2.753 -8.842 -6.827 38 HE1 TYR 657 HE2 TYR 657 0.430 -6.765 -9.963 39 HE2 TYR 657 HE1 TYR 657 -0.522 -8.146 -6.037 40 HH TYR 657 HH TYR 657 1.535 -6.136 -7.837 41 H ARG 658 HN ARG 658 -6.500 -6.071 -10.823 42 HA ARG 658 HA ARG 658 -8.784 -7.871 -10.566 43 HB2 ARG 658 HB2 ARG 658 -8.584 -5.061 -11.719 44 HB3 ARG 658 HB1 ARG 658 -10.080 -5.966 -11.495 45 HG2 ARG 658 HG2 ARG 658 -8.204 -5.122 -9.285 46 HG3 ARG 658 HG1 ARG 658 -9.709 -4.301 -9.709 47 HD2 ARG 658 HD2 ARG 658 -9.453 -7.159 -8.726 48 HD3 ARG 658 HD1 ARG 658 -9.962 -5.781 -7.745 49 HE ARG 658 HE ARG 658 -11.595 -6.115 -10.082 50 HH11 ARG 658 HH11 ARG 658 -11.159 -7.342 -6.814 51 HH12 ARG 658 HH12 ARG 658 -12.809 -7.854 -6.672 52 HH21 ARG 658 HH21 ARG 658 -13.736 -6.780 -9.862 53 HH22 ARG 658 HH22 ARG 658 -14.261 -7.534 -8.391 54 H PHE 659 HN PHE 659 -8.718 -9.499 -12.040 55 HA PHE 659 HA PHE 659 -8.660 -8.784 -14.897 56 HB2 PHE 659 HB2 PHE 659 -7.542 -11.162 -15.227 57 HB3 PHE 659 HB1 PHE 659 -6.557 -9.760 -14.864 58 HD1 PHE 659 HD1 PHE 659 -7.995 -12.871 -13.406 59 HD2 PHE 659 HD2 PHE 659 -5.241 -9.644 -12.847 60 HE1 PHE 659 HE1 PHE 659 -6.984 -14.050 -11.497 61 HE2 PHE 659 HE2 PHE 659 -4.243 -10.838 -10.941 62 HZ PHE 659 HZ PHE 659 -5.112 -13.035 -10.261 63 H GLU 660 HN GLU 660 -10.766 -8.874 -15.207 64 HA GLU 660 HA GLU 660 -12.041 -11.458 -15.485 65 HB2 GLU 660 HB2 GLU 660 -12.673 -10.830 -13.143 66 HB3 GLU 660 HB1 GLU 660 -13.314 -9.298 -13.718 67 HG2 GLU 660 HG2 GLU 660 -14.980 -10.614 -15.099 68 HG3 GLU 660 HG1 GLU 660 -14.399 -12.073 -14.299 69 H CYS 661 HN CYS 661 -13.919 -11.310 -16.912 70 HA CYS 661 HA CYS 661 -13.786 -9.311 -18.911 71 HB2 CYS 661 HB2 CYS 661 -14.661 -11.646 -19.298 72 HB3 CYS 661 HB1 CYS 661 -16.144 -11.172 -18.460 73 H ILE 662 HN ILE 662 -15.225 -7.603 -19.407 74 HA ILE 662 HA ILE 662 -15.936 -6.092 -17.098 75 HB ILE 662 HB ILE 662 -16.593 -4.291 -18.666 76 HG12 ILE 662 HG12 ILE 662 -15.994 -6.232 -20.949 77 HG13 ILE 662 HG11 ILE 662 -17.626 -5.871 -20.409 78 HG21 ILE 662 HG21 ILE 662 -14.010 -5.682 -19.482 79 HG22 ILE 662 HG22 ILE 662 -14.204 -4.568 -18.127 80 HG23 ILE 662 HG23 ILE 662 -14.399 -3.986 -19.781 81 HD11 ILE 662 HD11 ILE 662 -17.062 -4.629 -22.375 82 HD12 ILE 662 HD12 ILE 662 -15.674 -3.906 -21.568 83 HD13 ILE 662 HD13 ILE 662 -17.311 -3.539 -21.015 84 H CYS 663 HN CYS 663 -17.826 -8.401 -18.768 85 HA CYS 663 HA CYS 663 -20.395 -7.241 -17.952 86 HB2 CYS 663 HB2 CYS 663 -21.459 -9.194 -19.002 87 HB3 CYS 663 HB1 CYS 663 -20.337 -8.436 -20.117 88 H GLY 664 HN GLY 664 -18.090 -9.635 -16.957 89 HA2 GLY 664 HA2 GLY 664 -17.846 -10.940 -15.092 90 HA3 GLY 664 HA1 GLY 664 -18.964 -9.849 -14.297 91 H GLU 665 HN GLU 665 -20.108 -11.576 -17.095 92 HA GLU 665 HA GLU 665 -22.106 -12.984 -15.539 93 HB2 GLU 665 HB2 GLU 665 -21.546 -13.136 -18.535 94 HB3 GLU 665 HB1 GLU 665 -22.995 -13.708 -17.715 95 HG2 GLU 665 HG2 GLU 665 -22.103 -10.820 -17.949 96 HG3 GLU 665 HG1 GLU 665 -23.375 -11.588 -18.891 97 H LEU 666 HN LEU 666 -19.910 -14.133 -18.093 98 HA LEU 666 HA LEU 666 -18.934 -16.382 -16.448 99 HB2 LEU 666 HB2 LEU 666 -19.975 -16.560 -19.312 100 HB3 LEU 666 HB1 LEU 666 -19.011 -17.817 -18.555 101 HG LEU 666 HG LEU 666 -21.811 -16.961 -17.716 102 HD11 LEU 666 HD11 LEU 666 -20.834 -19.546 -18.976 103 HD12 LEU 666 HD12 LEU 666 -21.762 -18.283 -19.788 104 HD13 LEU 666 HD13 LEU 666 -22.490 -19.192 -18.467 105 HD21 LEU 666 HD21 LEU 666 -20.529 -17.591 -15.728 106 HD22 LEU 666 HD22 LEU 666 -20.014 -19.095 -16.498 107 HD23 LEU 666 HD23 LEU 666 -21.715 -18.839 -16.102 108 H ASP 667 HN ASP 667 -17.036 -17.472 -17.895 109 HA ASP 667 HA ASP 667 -16.007 -15.995 -20.086 110 HB2 ASP 667 HB2 ASP 667 -15.094 -14.795 -17.804 111 HB3 ASP 667 HB1 ASP 667 -13.865 -16.046 -17.948 112 H GLN 668 HN GLN 668 -16.818 -18.371 -20.316 113 HA GLN 668 HA GLN 668 -14.411 -20.110 -20.512 114 HB2 GLN 668 HB2 GLN 668 -17.271 -21.112 -20.048 115 HB3 GLN 668 HB1 GLN 668 -15.844 -22.112 -20.299 116 HG2 GLN 668 HG2 GLN 668 -16.271 -22.212 -17.983 117 HG3 GLN 668 HG1 GLN 668 -14.906 -21.110 -18.155 118 HE21 GLN 668 HE21 GLN 668 -15.319 -20.140 -16.143 119 HE22 GLN 668 HE22 GLN 668 -16.673 -19.104 -15.872 120 H ILE 669 HN ILE 669 -14.159 -21.188 -22.479 121 HA ILE 669 HA ILE 669 -15.186 -19.844 -24.790 122 HB ILE 669 HB ILE 669 -13.593 -22.452 -24.653 123 HG12 ILE 669 HG12 ILE 669 -12.592 -19.592 -25.083 124 HG13 ILE 669 HG11 ILE 669 -12.395 -20.531 -23.608 125 HG21 ILE 669 HG21 ILE 669 -14.696 -22.223 -26.843 126 HG22 ILE 669 HG22 ILE 669 -12.955 -22.023 -27.010 127 HG23 ILE 669 HG23 ILE 669 -14.011 -20.608 -27.045 128 HD11 ILE 669 HD11 ILE 669 -10.363 -20.466 -24.918 129 HD12 ILE 669 HD12 ILE 669 -11.189 -21.205 -26.287 130 HD13 ILE 669 HD13 ILE 669 -10.974 -22.112 -24.786 131 H ASP 670 HN ASP 670 -16.116 -22.723 -23.083 132 HA ASP 670 HA ASP 670 -17.485 -24.259 -24.937 133 HB2 ASP 670 HB2 ASP 670 -18.305 -23.789 -22.032 134 HB3 ASP 670 HB1 ASP 670 -18.741 -25.182 -23.020 135 H ARG 671 HN ARG 671 -18.817 -21.682 -22.879 136 HA ARG 671 HA ARG 671 -21.382 -21.651 -24.263 137 HB2 ARG 671 HB2 ARG 671 -20.255 -20.016 -21.946 138 HB3 ARG 671 HB1 ARG 671 -21.873 -19.774 -22.603 139 HG2 ARG 671 HG2 ARG 671 -20.870 -22.361 -21.362 140 HG3 ARG 671 HG1 ARG 671 -21.864 -21.152 -20.542 141 HD2 ARG 671 HD2 ARG 671 -23.652 -21.502 -22.231 142 HD3 ARG 671 HD1 ARG 671 -22.664 -22.747 -23.003 143 HE ARG 671 HE ARG 671 -22.894 -23.546 -20.379 144 HH11 ARG 671 HH11 ARG 671 -25.184 -22.883 -22.972 145 HH12 ARG 671 HH12 ARG 671 -26.359 -24.010 -22.376 146 HH21 ARG 671 HH21 ARG 671 -24.449 -25.042 -19.629 147 HH22 ARG 671 HH22 ARG 671 -25.944 -25.228 -20.488 148 H LYS 672 HN LYS 672 -18.718 -19.347 -23.676 149 HA LYS 672 HA LYS 672 -19.527 -17.769 -26.043 150 HB2 LYS 672 HB2 LYS 672 -18.745 -16.623 -23.328 151 HB3 LYS 672 HB1 LYS 672 -19.075 -15.683 -24.780 152 HG2 LYS 672 HG2 LYS 672 -21.112 -17.444 -23.368 153 HG3 LYS 672 HG1 LYS 672 -20.945 -15.711 -23.090 154 HD2 LYS 672 HD2 LYS 672 -21.510 -16.862 -25.853 155 HD3 LYS 672 HD1 LYS 672 -22.798 -16.467 -24.716 156 HE2 LYS 672 HE2 LYS 672 -20.728 -14.465 -25.680 157 HE3 LYS 672 HE1 LYS 672 -22.323 -14.662 -26.403 158 HZ1 LYS 672 HZ1 LYS 672 -23.335 -14.066 -24.318 159 HZ2 LYS 672 HZ2 LYS 672 -22.253 -12.857 -24.788 160 HZ3 LYS 672 HZ3 LYS 672 -21.826 -13.942 -23.567 161 HA PRO 673 HA PRO 673 -15.053 -18.067 -27.082 162 HB2 PRO 673 HB2 PRO 673 -15.865 -15.503 -28.475 163 HB3 PRO 673 HB1 PRO 673 -14.887 -16.843 -29.094 164 HG2 PRO 673 HG2 PRO 673 -17.442 -16.572 -29.829 165 HG3 PRO 673 HG1 PRO 673 -16.766 -18.182 -29.510 166 HD2 PRO 673 HD2 PRO 673 -18.613 -16.526 -27.826 167 HD3 PRO 673 HD1 PRO 673 -18.528 -18.291 -27.996 168 H ARG 674 HN ARG 674 -13.330 -17.242 -25.873 169 HA ARG 674 HA ARG 674 -13.532 -14.560 -24.721 170 HB2 ARG 674 HB2 ARG 674 -12.949 -15.445 -22.413 171 HB3 ARG 674 HB1 ARG 674 -14.578 -15.733 -22.985 172 HG2 ARG 674 HG2 ARG 674 -14.165 -17.780 -22.078 173 HG3 ARG 674 HG1 ARG 674 -13.564 -18.092 -23.702 174 HD2 ARG 674 HD2 ARG 674 -12.024 -18.986 -22.056 175 HD3 ARG 674 HD1 ARG 674 -11.251 -17.633 -22.885 176 HE ARG 674 HE ARG 674 -12.248 -16.380 -20.776 177 HH11 ARG 674 HH11 ARG 674 -10.537 -19.443 -20.798 178 HH12 ARG 674 HH12 ARG 674 -9.864 -19.199 -19.223 179 HH21 ARG 674 HH21 ARG 674 -11.326 -16.053 -18.768 180 HH22 ARG 674 HH22 ARG 674 -10.299 -17.268 -18.068 181 H VAL 675 HN VAL 675 -11.753 -13.473 -24.656 182 HA VAL 675 HA VAL 675 -9.270 -14.639 -25.677 183 HB VAL 675 HB VAL 675 -8.684 -12.289 -26.306 184 HG11 VAL 675 HG11 VAL 675 -10.327 -12.084 -28.149 185 HG12 VAL 675 HG12 VAL 675 -11.365 -13.268 -27.353 186 HG13 VAL 675 HG13 VAL 675 -9.770 -13.745 -27.938 187 HG21 VAL 675 HG21 VAL 675 -11.492 -11.558 -25.340 188 HG22 VAL 675 HG22 VAL 675 -10.402 -10.492 -26.233 189 HG23 VAL 675 HG23 VAL 675 -9.977 -11.025 -24.608 190 H GLN 676 HN GLN 676 -7.580 -14.861 -24.435 191 HA GLN 676 HA GLN 676 -7.375 -13.551 -21.805 192 HB2 GLN 676 HB2 GLN 676 -6.073 -16.007 -23.035 193 HB3 GLN 676 HB1 GLN 676 -5.391 -15.260 -21.596 194 HG2 GLN 676 HG2 GLN 676 -6.862 -17.200 -21.098 195 HG3 GLN 676 HG1 GLN 676 -7.402 -15.701 -20.334 196 HE21 GLN 676 HE21 GLN 676 -9.367 -14.792 -20.953 197 HE22 GLN 676 HE22 GLN 676 -10.487 -15.594 -21.990 198 H CYS 677 HN CYS 677 -6.683 -11.544 -22.262 199 HA CYS 677 HA CYS 677 -4.803 -10.693 -24.184 200 HB2 CYS 677 HB2 CYS 677 -6.447 -9.203 -23.078 201 HB3 CYS 677 HB1 CYS 677 -5.589 -9.378 -21.556 202 H LEU 678 HN LEU 678 -3.018 -11.974 -24.101 203 HA LEU 678 HA LEU 678 -1.677 -12.993 -21.904 204 HB2 LEU 678 HB2 LEU 678 0.161 -13.494 -23.600 205 HB3 LEU 678 HB1 LEU 678 -1.446 -14.084 -23.964 206 HG LEU 678 HG LEU 678 -1.510 -11.696 -25.330 207 HD11 LEU 678 HD11 LEU 678 0.574 -11.357 -26.559 208 HD12 LEU 678 HD12 LEU 678 1.374 -12.586 -25.574 209 HD13 LEU 678 HD13 LEU 678 0.797 -11.091 -24.831 210 HD21 LEU 678 HD21 LEU 678 -2.170 -13.863 -26.266 211 HD22 LEU 678 HD22 LEU 678 -0.475 -14.307 -26.485 212 HD23 LEU 678 HD23 LEU 678 -1.164 -12.960 -27.397 213 H LYS 679 HN LYS 679 -1.203 -9.896 -23.416 214 HA LYS 679 HA LYS 679 1.435 -9.415 -22.436 215 HB2 LYS 679 HB2 LYS 679 0.590 -8.459 -24.549 216 HB3 LYS 679 HB1 LYS 679 -0.609 -7.529 -23.666 217 HG2 LYS 679 HG2 LYS 679 1.239 -6.280 -22.535 218 HG3 LYS 679 HG1 LYS 679 2.403 -7.171 -23.519 219 HD2 LYS 679 HD2 LYS 679 0.225 -5.327 -24.594 220 HD3 LYS 679 HD1 LYS 679 1.930 -4.902 -24.416 221 HE2 LYS 679 HE2 LYS 679 2.475 -6.792 -26.014 222 HE3 LYS 679 HE1 LYS 679 0.738 -6.969 -26.292 223 HZ1 LYS 679 HZ1 LYS 679 2.312 -4.503 -26.780 224 HZ2 LYS 679 HZ2 LYS 679 0.664 -4.708 -27.094 225 HZ3 LYS 679 HZ3 LYS 679 1.811 -5.595 -27.968 226 H CYS 680 HN CYS 680 -1.804 -8.820 -21.060 227 HA CYS 680 HA CYS 680 -0.454 -7.735 -18.634 228 HB2 CYS 680 HB2 CYS 680 -2.061 -6.050 -18.226 229 HB3 CYS 680 HB1 CYS 680 -1.776 -5.929 -19.955 230 H HIS 681 HN HIS 681 -1.820 -10.367 -19.687 231 HA HIS 681 HA HIS 681 -3.112 -12.089 -18.993 232 HB2 HIS 681 HB2 HIS 681 -1.955 -11.190 -16.331 233 HB3 HIS 681 HB1 HIS 681 -2.771 -12.734 -16.570 234 HD1 HIS 681 HD1 HIS 681 0.505 -11.174 -16.782 235 HD2 HIS 681 HD2 HIS 681 -1.377 -14.419 -18.571 236 HE1 HIS 681 HE1 HIS 681 2.349 -12.584 -17.730 237 HE2 HIS 681 HE2 HIS 681 1.177 -14.432 -18.967 238 H LEU 682 HN LEU 682 -4.850 -10.385 -19.653 239 HA LEU 682 HA LEU 682 -6.800 -9.935 -17.449 240 HB2 LEU 682 HB2 LEU 682 -5.783 -7.974 -18.882 241 HB3 LEU 682 HB1 LEU 682 -6.837 -8.535 -20.156 242 HG LEU 682 HG LEU 682 -7.776 -6.585 -18.986 243 HD11 LEU 682 HD11 LEU 682 -9.445 -9.038 -18.387 244 HD12 LEU 682 HD12 LEU 682 -9.384 -8.175 -19.924 245 HD13 LEU 682 HD13 LEU 682 -10.026 -7.372 -18.494 246 HD21 LEU 682 HD21 LEU 682 -8.479 -6.677 -16.646 247 HD22 LEU 682 HD22 LEU 682 -6.738 -6.888 -16.806 248 HD23 LEU 682 HD23 LEU 682 -7.769 -8.286 -16.486 249 H TRP 683 HN TRP 683 -8.509 -11.306 -17.502 250 HA TRP 683 HA TRP 683 -9.061 -12.951 -19.861 251 HB2 TRP 683 HB2 TRP 683 -10.761 -13.108 -17.354 252 HB3 TRP 683 HB1 TRP 683 -10.280 -14.389 -18.451 253 HD1 TRP 683 HD1 TRP 683 -9.974 -13.947 -15.073 254 HE1 TRP 683 HE1 TRP 683 -7.765 -14.712 -14.043 255 HE3 TRP 683 HE3 TRP 683 -7.050 -14.066 -19.290 256 HZ2 TRP 683 HZ2 TRP 683 -5.153 -15.259 -14.841 257 HZ3 TRP 683 HZ3 TRP 683 -4.700 -14.722 -19.044 258 HH2 TRP 683 HH2 TRP 683 -3.760 -15.307 -16.869 259 H GLN 684 HN GLN 684 -10.497 -12.201 -21.373 260 HA GLN 684 HA GLN 684 -12.993 -10.926 -20.505 261 HB2 GLN 684 HB2 GLN 684 -10.987 -9.305 -21.441 262 HB3 GLN 684 HB1 GLN 684 -11.741 -9.728 -22.967 263 HG2 GLN 684 HG2 GLN 684 -13.415 -8.242 -22.625 264 HG3 GLN 684 HG1 GLN 684 -13.822 -8.975 -21.078 265 HE21 GLN 684 HE21 GLN 684 -12.495 -8.272 -19.201 266 HE22 GLN 684 HE22 GLN 684 -11.951 -6.645 -19.154 267 H HIS 685 HN HIS 685 -14.669 -10.951 -22.305 268 HA HIS 685 HA HIS 685 -14.512 -13.403 -23.864 269 HB2 HIS 685 HB2 HIS 685 -16.744 -11.388 -23.517 270 HB3 HIS 685 HB1 HIS 685 -16.854 -12.680 -24.704 271 HD2 HIS 685 HD2 HIS 685 -16.266 -15.318 -23.170 272 HE1 HIS 685 HE1 HIS 685 -18.882 -13.833 -20.198 273 HE2 HIS 685 HE2 HIS 685 -17.617 -15.863 -21.025 274 H ALA 686 HN ALA 686 -14.212 -13.553 -26.021 275 HA ALA 686 HA ALA 686 -13.324 -11.501 -27.708 276 HB1 ALA 686 HB1 ALA 686 -13.676 -13.115 -29.522 277 HB2 ALA 686 HB2 ALA 686 -14.677 -14.112 -28.466 278 HB3 ALA 686 HB3 ALA 686 -12.960 -13.913 -28.122 279 H LYS 687 HN LYS 687 -16.573 -12.856 -27.162 280 HA LYS 687 HA LYS 687 -17.903 -11.168 -29.091 281 HB2 LYS 687 HB2 LYS 687 -19.009 -13.028 -26.938 282 HB3 LYS 687 HB1 LYS 687 -19.985 -12.231 -28.160 283 HG2 LYS 687 HG2 LYS 687 -17.888 -14.372 -28.603 284 HG3 LYS 687 HG1 LYS 687 -19.632 -14.524 -28.830 285 HD2 LYS 687 HD2 LYS 687 -19.423 -12.751 -30.660 286 HD3 LYS 687 HD1 LYS 687 -17.676 -12.910 -30.497 287 HE2 LYS 687 HE2 LYS 687 -18.354 -14.263 -32.357 288 HE3 LYS 687 HE1 LYS 687 -17.923 -15.361 -31.046 289 HZ1 LYS 687 HZ1 LYS 687 -20.665 -14.575 -31.880 290 HZ2 LYS 687 HZ2 LYS 687 -20.317 -15.527 -30.527 291 HZ3 LYS 687 HZ3 LYS 687 -19.938 -16.092 -32.074 292 H CYS 688 HN CYS 688 -16.575 -10.285 -26.271 293 HA CYS 688 HA CYS 688 -18.581 -8.152 -25.787 294 HB2 CYS 688 HB2 CYS 688 -16.434 -9.262 -23.939 295 HB3 CYS 688 HB1 CYS 688 -17.365 -7.810 -23.592 296 H VAL 689 HN VAL 689 -15.672 -8.820 -27.339 297 HA VAL 689 HA VAL 689 -14.740 -6.003 -27.189 298 HB VAL 689 HB VAL 689 -12.428 -6.692 -27.314 299 HG11 VAL 689 HG11 VAL 689 -13.355 -6.674 -25.045 300 HG12 VAL 689 HG12 VAL 689 -12.115 -7.919 -25.184 301 HG13 VAL 689 HG13 VAL 689 -13.821 -8.370 -25.193 302 HG21 VAL 689 HG21 VAL 689 -12.605 -8.646 -28.800 303 HG22 VAL 689 HG22 VAL 689 -13.348 -9.586 -27.507 304 HG23 VAL 689 HG23 VAL 689 -11.671 -9.055 -27.361 305 H ASN 690 HN ASN 690 -16.438 -7.862 -29.113 306 HA ASN 690 HA ASN 690 -16.902 -8.059 -31.308 307 HB2 ASN 690 HB2 ASN 690 -15.213 -5.526 -31.510 308 HB3 ASN 690 HB1 ASN 690 -16.059 -6.216 -32.892 309 HD21 ASN 690 HD21 ASN 690 -18.280 -5.964 -33.054 310 HD22 ASN 690 HD22 ASN 690 -19.205 -4.961 -31.996 311 H TYR 691 HN TYR 691 -15.825 -10.048 -31.198 312 HA TYR 691 HA TYR 691 -13.708 -10.615 -33.031 313 HB2 TYR 691 HB2 TYR 691 -12.541 -9.476 -31.006 314 HB3 TYR 691 HB1 TYR 691 -13.014 -10.865 -30.050 315 HD1 TYR 691 HD1 TYR 691 -10.851 -9.740 -32.892 316 HD2 TYR 691 HD2 TYR 691 -11.672 -12.879 -30.113 317 HE1 TYR 691 HE1 TYR 691 -8.695 -10.799 -33.440 318 HE2 TYR 691 HE2 TYR 691 -9.527 -13.927 -30.668 319 HH TYR 691 HH TYR 691 -7.077 -12.367 -32.357 320 H ASP 692 HN ASP 692 -13.240 -13.085 -32.857 321 HA ASP 692 HA ASP 692 -15.338 -14.572 -31.377 322 HB2 ASP 692 HB2 ASP 692 -15.762 -16.020 -33.327 323 HB3 ASP 692 HB1 ASP 692 -16.129 -14.343 -33.700 324 H GLU 693 HN GLU 693 -14.814 -17.109 -31.735 325 HA GLU 693 HA GLU 693 -12.201 -17.456 -30.504 326 HB2 GLU 693 HB2 GLU 693 -12.936 -19.815 -30.121 327 HB3 GLU 693 HB1 GLU 693 -14.013 -18.612 -29.423 328 HG2 GLU 693 HG2 GLU 693 -15.593 -18.911 -31.270 329 HG3 GLU 693 HG1 GLU 693 -14.500 -20.068 -32.034 330 H LYS 694 HN LYS 694 -13.639 -18.111 -33.642 331 HA LYS 694 HA LYS 694 -11.885 -20.194 -34.471 332 HB2 LYS 694 HB2 LYS 694 -13.518 -18.225 -36.130 333 HB3 LYS 694 HB1 LYS 694 -12.546 -19.497 -36.848 334 HG2 LYS 694 HG2 LYS 694 -14.796 -20.277 -36.820 335 HG3 LYS 694 HG1 LYS 694 -13.916 -21.189 -35.595 336 HD2 LYS 694 HD2 LYS 694 -14.878 -19.706 -33.840 337 HD3 LYS 694 HD1 LYS 694 -15.795 -18.852 -35.084 338 HE2 LYS 694 HE2 LYS 694 -17.045 -20.900 -35.607 339 HE3 LYS 694 HE1 LYS 694 -16.064 -21.820 -34.463 340 HZ1 LYS 694 HZ1 LYS 694 -17.845 -19.558 -33.741 341 HZ2 LYS 694 HZ2 LYS 694 -16.961 -20.517 -32.663 342 HZ3 LYS 694 HZ3 LYS 694 -18.232 -21.194 -33.551 343 H ASN 695 HN ASN 695 -11.773 -16.657 -34.886 344 HA ASN 695 HA ASN 695 -9.116 -16.740 -36.062 345 HB2 ASN 695 HB2 ASN 695 -9.309 -14.432 -36.479 346 HB3 ASN 695 HB1 ASN 695 -10.902 -15.054 -36.766 347 HD21 ASN 695 HD21 ASN 695 -11.261 -15.064 -33.667 348 HD22 ASN 695 HD22 ASN 695 -11.608 -13.425 -33.323 349 H LEU 696 HN LEU 696 -10.279 -16.878 -32.911 350 HA LEU 696 HA LEU 696 -8.162 -15.534 -31.503 351 HB2 LEU 696 HB2 LEU 696 -10.393 -16.106 -30.548 352 HB3 LEU 696 HB1 LEU 696 -10.005 -17.805 -30.646 353 HG LEU 696 HG LEU 696 -8.460 -15.902 -28.838 354 HD11 LEU 696 HD11 LEU 696 -10.836 -15.768 -28.233 355 HD12 LEU 696 HD12 LEU 696 -9.929 -16.619 -26.988 356 HD13 LEU 696 HD13 LEU 696 -10.933 -17.527 -28.124 357 HD21 LEU 696 HD21 LEU 696 -7.944 -17.967 -27.547 358 HD22 LEU 696 HD22 LEU 696 -7.338 -18.053 -29.197 359 HD23 LEU 696 HD23 LEU 696 -8.804 -18.928 -28.758 360 H LYS 697 HN LYS 697 -8.717 -18.841 -32.695 361 HA LYS 697 HA LYS 697 -6.287 -19.980 -31.733 362 HB2 LYS 697 HB2 LYS 697 -8.436 -20.872 -33.634 363 HB3 LYS 697 HB1 LYS 697 -6.889 -21.696 -33.748 364 HG2 LYS 697 HG2 LYS 697 -8.160 -23.049 -32.302 365 HG3 LYS 697 HG1 LYS 697 -7.111 -22.139 -31.218 366 HD2 LYS 697 HD2 LYS 697 -9.206 -22.053 -30.138 367 HD3 LYS 697 HD1 LYS 697 -9.136 -20.505 -30.986 368 HE2 LYS 697 HE2 LYS 697 -11.336 -21.414 -31.339 369 HE3 LYS 697 HE1 LYS 697 -10.457 -21.566 -32.859 370 HZ1 LYS 697 HZ1 LYS 697 -11.662 -23.560 -32.425 371 HZ2 LYS 697 HZ2 LYS 697 -10.975 -23.722 -30.889 372 HZ3 LYS 697 HZ3 LYS 697 -10.012 -23.899 -32.269 373 H ILE 698 HN ILE 698 -6.770 -17.743 -34.230 374 HA ILE 698 HA ILE 698 -4.389 -18.604 -35.797 375 HB ILE 698 HB ILE 698 -6.444 -16.501 -36.629 376 HG12 ILE 698 HG12 ILE 698 -6.515 -19.451 -37.433 377 HG13 ILE 698 HG11 ILE 698 -7.570 -18.712 -36.228 378 HG21 ILE 698 HG21 ILE 698 -5.595 -16.920 -38.919 379 HG22 ILE 698 HG22 ILE 698 -4.439 -18.092 -38.283 380 HG23 ILE 698 HG23 ILE 698 -4.307 -16.390 -37.837 381 HD11 ILE 698 HD11 ILE 698 -8.478 -17.217 -37.953 382 HD12 ILE 698 HD12 ILE 698 -8.723 -18.927 -38.327 383 HD13 ILE 698 HD13 ILE 698 -7.462 -18.018 -39.161 384 H LYS 699 HN LYS 699 -6.061 -15.707 -34.796 385 HA LYS 699 HA LYS 699 -3.796 -13.953 -35.194 386 HB2 LYS 699 HB2 LYS 699 -6.765 -13.660 -34.701 387 HB3 LYS 699 HB1 LYS 699 -5.750 -12.250 -34.659 388 HG2 LYS 699 HG2 LYS 699 -5.189 -12.422 -36.957 389 HG3 LYS 699 HG1 LYS 699 -5.729 -14.096 -37.045 390 HD2 LYS 699 HD2 LYS 699 -7.325 -12.599 -38.168 391 HD3 LYS 699 HD1 LYS 699 -8.056 -13.381 -36.769 392 HE2 LYS 699 HE2 LYS 699 -7.708 -11.316 -35.445 393 HE3 LYS 699 HE1 LYS 699 -6.990 -10.562 -36.866 394 HZ1 LYS 699 HZ1 LYS 699 -9.769 -11.568 -36.721 395 HZ2 LYS 699 HZ2 LYS 699 -9.076 -10.723 -38.007 396 HZ3 LYS 699 HZ3 LYS 699 -9.319 -9.954 -36.521 397 HA PRO 700 HA PRO 700 -2.979 -12.985 -30.771 398 HB2 PRO 700 HB2 PRO 700 -2.436 -10.270 -31.038 399 HB3 PRO 700 HB1 PRO 700 -1.263 -11.550 -31.377 400 HG2 PRO 700 HG2 PRO 700 -3.050 -10.065 -33.305 401 HG3 PRO 700 HG1 PRO 700 -1.312 -10.431 -33.438 402 HD2 PRO 700 HD2 PRO 700 -3.132 -11.900 -34.743 403 HD3 PRO 700 HD1 PRO 700 -1.714 -12.679 -34.001 404 H PHE 701 HN PHE 701 -4.062 -11.974 -29.060 405 HA PHE 701 HA PHE 701 -6.522 -10.472 -29.582 406 HB2 PHE 701 HB2 PHE 701 -7.709 -12.091 -27.932 407 HB3 PHE 701 HB1 PHE 701 -7.485 -12.620 -29.589 408 HD1 PHE 701 HD1 PHE 701 -6.429 -13.161 -26.079 409 HD2 PHE 701 HD2 PHE 701 -5.997 -14.484 -30.129 410 HE1 PHE 701 HE1 PHE 701 -5.358 -15.243 -25.302 411 HE2 PHE 701 HE2 PHE 701 -4.926 -16.551 -29.336 412 HZ PHE 701 HZ PHE 701 -4.601 -16.933 -26.925 413 H TYR 702 HN TYR 702 -6.759 -8.884 -28.174 414 HA TYR 702 HA TYR 702 -5.454 -8.956 -25.524 415 HB2 TYR 702 HB2 TYR 702 -5.329 -6.560 -27.416 416 HB3 TYR 702 HB1 TYR 702 -4.606 -6.666 -25.814 417 HD1 TYR 702 HD2 TYR 702 -2.692 -8.405 -25.472 418 HD2 TYR 702 HD1 TYR 702 -4.094 -7.229 -29.337 419 HE1 TYR 702 HE2 TYR 702 -0.619 -9.259 -26.492 420 HE2 TYR 702 HE1 TYR 702 -2.027 -8.082 -30.346 421 HH TYR 702 HH TYR 702 0.204 -10.025 -28.657 422 H CYS 703 HN CYS 703 -6.328 -7.287 -24.078 423 HA CYS 703 HA CYS 703 -9.217 -7.106 -24.269 424 HB2 CYS 703 HB2 CYS 703 -9.217 -6.626 -21.944 425 HB3 CYS 703 HB1 CYS 703 -7.918 -7.789 -22.149 426 HA PRO 704 HA PRO 704 -9.516 -3.244 -26.237 427 HB2 PRO 704 HB2 PRO 704 -11.656 -2.003 -24.910 428 HB3 PRO 704 HB1 PRO 704 -11.815 -3.279 -26.122 429 HG2 PRO 704 HG2 PRO 704 -11.773 -3.530 -23.122 430 HG3 PRO 704 HG1 PRO 704 -12.881 -4.283 -24.298 431 HD2 PRO 704 HD2 PRO 704 -10.882 -5.698 -23.276 432 HD3 PRO 704 HD1 PRO 704 -11.250 -5.835 -25.009 433 H HIS 705 HN HIS 705 -9.271 -2.863 -22.680 434 HA HIS 705 HA HIS 705 -8.743 -0.071 -22.655 435 HB2 HIS 705 HB2 HIS 705 -8.067 -2.266 -20.667 436 HB3 HIS 705 HB1 HIS 705 -7.576 -0.603 -20.384 437 HD1 HIS 705 HD1 HIS 705 -9.187 0.678 -18.991 438 HD2 HIS 705 HD2 HIS 705 -11.077 -2.346 -21.118 439 HE1 HIS 705 HE1 HIS 705 -11.600 0.765 -18.291 440 HE2 HIS 705 HE2 HIS 705 -12.730 -1.040 -19.639 441 H CYS 706 HN CYS 706 -6.625 -2.823 -23.235 442 HA CYS 706 HA CYS 706 -4.151 -1.382 -23.254 443 HB2 CYS 706 HB2 CYS 706 -4.932 -4.087 -24.400 444 HB3 CYS 706 HB1 CYS 706 -3.316 -3.424 -24.577 445 H LEU 707 HN LEU 707 -6.601 -2.124 -25.694 446 HA LEU 707 HA LEU 707 -5.159 -1.206 -27.973 447 HB2 LEU 707 HB2 LEU 707 -8.112 -1.663 -27.451 448 HB3 LEU 707 HB1 LEU 707 -7.563 -0.969 -28.962 449 HG LEU 707 HG LEU 707 -6.222 -3.040 -29.407 450 HD11 LEU 707 HD11 LEU 707 -6.602 -5.081 -28.113 451 HD12 LEU 707 HD12 LEU 707 -7.594 -4.184 -26.960 452 HD13 LEU 707 HD13 LEU 707 -5.873 -3.827 -27.114 453 HD21 LEU 707 HD21 LEU 707 -9.186 -3.550 -28.954 454 HD22 LEU 707 HD22 LEU 707 -8.122 -4.479 -30.013 455 HD23 LEU 707 HD23 LEU 707 -8.472 -2.794 -30.382 456 H VAL 708 HN VAL 708 -7.347 0.343 -25.688 457 HA VAL 708 HA VAL 708 -7.456 2.929 -26.876 458 HB VAL 708 HB VAL 708 -7.963 2.056 -23.989 459 HG11 VAL 708 HG11 VAL 708 -8.758 4.674 -25.327 460 HG12 VAL 708 HG12 VAL 708 -7.547 4.485 -24.060 461 HG13 VAL 708 HG13 VAL 708 -9.241 4.157 -23.707 462 HG21 VAL 708 HG21 VAL 708 -9.945 2.540 -26.251 463 HG22 VAL 708 HG22 VAL 708 -10.344 2.053 -24.602 464 HG23 VAL 708 HG23 VAL 708 -9.442 0.960 -25.647 465 H ALA 709 HN ALA 709 -5.324 1.395 -24.523 466 HA ALA 709 HA ALA 709 -3.830 3.686 -23.731 467 HB1 ALA 709 HB1 ALA 709 -2.232 2.074 -22.771 468 HB2 ALA 709 HB2 ALA 709 -3.023 0.756 -23.640 469 HB3 ALA 709 HB3 ALA 709 -3.895 1.625 -22.379 470 H MET 710 HN MET 710 -3.596 1.498 -26.473 471 HA MET 710 HA MET 710 -0.975 2.438 -27.325 472 HB2 MET 710 HB2 MET 710 -2.981 0.557 -28.632 473 HB3 MET 710 HB1 MET 710 -1.436 0.975 -29.362 474 HG2 MET 710 HG2 MET 710 -0.283 0.018 -27.360 475 HG3 MET 710 HG1 MET 710 -1.855 -0.500 -26.752 476 HE1 MET 710 HE1 MET 710 -2.905 -3.192 -29.452 477 HE2 MET 710 HE2 MET 710 -3.354 -1.485 -29.445 478 HE3 MET 710 HE3 MET 710 -3.355 -2.406 -27.939 479 H GLU 711 HN GLU 711 -4.060 3.738 -27.540 480 HA GLU 711 HA GLU 711 -3.554 5.214 -30.049 481 HB2 GLU 711 HB2 GLU 711 -6.026 5.156 -28.251 482 HB3 GLU 711 HB1 GLU 711 -5.903 6.000 -29.795 483 HG2 GLU 711 HG2 GLU 711 -5.641 3.853 -30.955 484 HG3 GLU 711 HG1 GLU 711 -5.726 2.999 -29.420 485 HA PRO 712 HA PRO 712 -2.637 8.946 -27.550 486 HB2 PRO 712 HB2 PRO 712 -2.990 10.898 -29.395 487 HB3 PRO 712 HB1 PRO 712 -1.634 9.768 -29.500 488 HG2 PRO 712 HG2 PRO 712 -4.252 9.733 -30.994 489 HG3 PRO 712 HG1 PRO 712 -2.606 9.461 -31.610 490 HD2 PRO 712 HD2 PRO 712 -4.353 7.415 -30.972 491 HD3 PRO 712 HD1 PRO 712 -2.585 7.245 -30.925 492 H VAL 713 HN VAL 713 -3.773 10.831 -26.641 493 HA VAL 713 HA VAL 713 -6.559 10.295 -26.175 494 HB VAL 713 HB VAL 713 -6.522 12.284 -24.643 495 HG11 VAL 713 HG11 VAL 713 -4.262 10.296 -24.187 496 HG12 VAL 713 HG12 VAL 713 -5.964 10.038 -23.800 497 HG13 VAL 713 HG13 VAL 713 -5.046 11.277 -22.944 498 HG21 VAL 713 HG21 VAL 713 -4.376 13.424 -24.130 499 HG22 VAL 713 HG22 VAL 713 -4.855 13.694 -25.805 500 HG23 VAL 713 HG23 VAL 713 -3.584 12.530 -25.433 501 H SER 714 HN SER 714 -8.265 11.068 -27.165 502 HA SER 714 HA SER 714 -8.097 13.054 -29.266 503 HB2 SER 714 HB2 SER 714 -9.562 11.055 -29.511 504 HB3 SER 714 HB1 SER 714 -10.521 11.583 -28.127 505 HG SER 714 HG SER 714 -10.582 12.424 -30.727 506 H THR 715 HN THR 715 -8.849 15.144 -29.177 507 HA THR 715 HA THR 715 -9.300 16.412 -26.628 508 HB THR 715 HB THR 715 -9.586 17.546 -29.454 509 HG1 THR 715 HG1 THR 715 -7.449 16.778 -28.768 510 HG21 THR 715 HG21 THR 715 -9.333 19.777 -28.370 511 HG22 THR 715 HG22 THR 715 -9.380 19.006 -26.786 512 HG23 THR 715 HG23 THR 715 -10.802 18.959 -27.827 513 H ARG 716 HN ARG 716 -11.218 16.668 -25.625 514 HA ARG 716 HA ARG 716 -13.644 15.582 -26.557 515 HB2 ARG 716 HB2 ARG 716 -12.927 17.324 -24.182 516 HB3 ARG 716 HB1 ARG 716 -14.594 16.849 -24.477 517 HG2 ARG 716 HG2 ARG 716 -12.299 14.892 -24.100 518 HG3 ARG 716 HG1 ARG 716 -13.406 15.399 -22.819 519 HD2 ARG 716 HD2 ARG 716 -15.308 14.513 -24.205 520 HD3 ARG 716 HD1 ARG 716 -14.122 13.901 -25.355 521 HE ARG 716 HE ARG 716 -13.655 12.162 -23.946 522 HH11 ARG 716 HH11 ARG 716 -15.447 14.555 -22.056 523 HH12 ARG 716 HH12 ARG 716 -15.802 13.442 -20.775 524 HH21 ARG 716 HH21 ARG 716 -14.161 10.719 -22.247 525 HH22 ARG 716 HH22 ARG 716 -15.071 11.283 -20.880 Start of MODEL 5 1 H PHE 652 HT1 PHE 652 -6.483 -1.054 0.978 2 HA PHE 652 HA PHE 652 -6.943 -3.962 1.178 3 HB2 PHE 652 HB2 PHE 652 -8.949 -1.690 0.835 4 HB3 PHE 652 HB1 PHE 652 -9.337 -3.405 0.891 5 HD1 PHE 652 HD1 PHE 652 -8.600 -4.683 3.083 6 HD2 PHE 652 HD2 PHE 652 -9.092 -0.439 2.835 7 HE1 PHE 652 HE1 PHE 652 -8.867 -4.564 5.527 8 HE2 PHE 652 HE2 PHE 652 -9.358 -0.332 5.282 9 HZ PHE 652 HZ PHE 652 -9.241 -2.393 6.627 10 H ASN 653 HN ASN 653 -5.945 -4.633 -0.648 11 HA ASN 653 HA ASN 653 -5.724 -5.234 -2.804 12 HB2 ASN 653 HB2 ASN 653 -8.367 -3.750 -3.166 13 HB3 ASN 653 HB1 ASN 653 -7.638 -4.784 -4.393 14 HD21 ASN 653 HD21 ASN 653 -6.718 -6.862 -2.599 15 HD22 ASN 653 HD22 ASN 653 -8.124 -7.686 -2.038 16 H THR 654 HN THR 654 -4.308 -2.962 -1.953 17 HA THR 654 HA THR 654 -4.382 -0.770 -3.765 18 HB THR 654 HB THR 654 -3.320 -0.591 -1.535 19 HG1 THR 654 HG1 THR 654 -1.439 -0.066 -3.623 20 HG21 THR 654 HG21 THR 654 -1.073 -1.497 -1.090 21 HG22 THR 654 HG22 THR 654 -1.059 -2.288 -2.668 22 HG23 THR 654 HG23 THR 654 -2.204 -2.810 -1.429 23 H SER 655 HN SER 655 -2.862 -3.921 -3.965 24 HA SER 655 HA SER 655 -1.790 -3.303 -6.651 25 HB2 SER 655 HB2 SER 655 -0.285 -4.825 -4.470 26 HB3 SER 655 HB1 SER 655 0.287 -4.557 -6.120 27 HG SER 655 HG SER 655 -0.175 -2.180 -5.362 28 H ASP 656 HN ASP 656 -4.189 -4.768 -5.477 29 HA ASP 656 HA ASP 656 -3.752 -7.585 -5.976 30 HB2 ASP 656 HB2 ASP 656 -5.381 -6.669 -4.269 31 HB3 ASP 656 HB1 ASP 656 -6.400 -6.143 -5.595 32 H TYR 657 HN TYR 657 -3.824 -8.479 -7.906 33 HA TYR 657 HA TYR 657 -4.476 -6.936 -10.282 34 HB2 TYR 657 HB2 TYR 657 -3.305 -9.740 -9.978 35 HB3 TYR 657 HB1 TYR 657 -3.494 -8.891 -11.511 36 HD1 TYR 657 HD1 TYR 657 -2.230 -6.646 -11.815 37 HD2 TYR 657 HD2 TYR 657 -1.328 -9.379 -8.649 38 HE1 TYR 657 HE1 TYR 657 -0.037 -5.577 -11.525 39 HE2 TYR 657 HE2 TYR 657 0.873 -8.306 -8.360 40 HH TYR 657 HH TYR 657 1.680 -5.318 -9.742 41 H ARG 658 HN ARG 658 -6.713 -6.748 -10.202 42 HA ARG 658 HA ARG 658 -8.425 -9.084 -10.058 43 HB2 ARG 658 HB2 ARG 658 -9.123 -6.153 -10.496 44 HB3 ARG 658 HB1 ARG 658 -10.259 -7.440 -10.073 45 HG2 ARG 658 HG2 ARG 658 -9.105 -7.754 -7.908 46 HG3 ARG 658 HG1 ARG 658 -7.943 -6.494 -8.333 47 HD2 ARG 658 HD2 ARG 658 -9.608 -5.584 -6.841 48 HD3 ARG 658 HD1 ARG 658 -9.804 -4.866 -8.443 49 HE ARG 658 HE ARG 658 -11.466 -7.177 -8.001 50 HH11 ARG 658 HH11 ARG 658 -11.337 -3.699 -7.574 51 HH12 ARG 658 HH12 ARG 658 -13.061 -3.534 -7.474 52 HH21 ARG 658 HH21 ARG 658 -13.710 -6.957 -7.855 53 HH22 ARG 658 HH22 ARG 658 -14.400 -5.380 -7.635 54 H PHE 659 HN PHE 659 -7.747 -10.195 -11.924 55 HA PHE 659 HA PHE 659 -8.565 -9.179 -14.538 56 HB2 PHE 659 HB2 PHE 659 -7.814 -11.557 -15.290 57 HB3 PHE 659 HB1 PHE 659 -6.581 -10.428 -14.753 58 HD1 PHE 659 HD1 PHE 659 -8.490 -13.478 -13.774 59 HD2 PHE 659 HD2 PHE 659 -5.212 -10.902 -12.819 60 HE1 PHE 659 HE1 PHE 659 -7.675 -15.117 -12.130 61 HE2 PHE 659 HE2 PHE 659 -4.401 -12.554 -11.188 62 HZ PHE 659 HZ PHE 659 -5.632 -14.657 -10.840 63 H GLU 660 HN GLU 660 -10.534 -9.523 -15.394 64 HA GLU 660 HA GLU 660 -12.157 -11.819 -15.132 65 HB2 GLU 660 HB2 GLU 660 -12.365 -10.611 -12.768 66 HB3 GLU 660 HB1 GLU 660 -13.385 -9.461 -13.615 67 HG2 GLU 660 HG2 GLU 660 -13.964 -12.439 -13.577 68 HG3 GLU 660 HG1 GLU 660 -14.521 -11.359 -12.304 69 H CYS 661 HN CYS 661 -14.117 -11.582 -16.474 70 HA CYS 661 HA CYS 661 -13.680 -9.752 -18.656 71 HB2 CYS 661 HB2 CYS 661 -14.452 -12.118 -18.973 72 HB3 CYS 661 HB1 CYS 661 -16.027 -11.634 -18.337 73 H ILE 662 HN ILE 662 -14.941 -8.029 -19.340 74 HA ILE 662 HA ILE 662 -15.975 -6.335 -17.382 75 HB ILE 662 HB ILE 662 -16.861 -4.948 -19.364 76 HG12 ILE 662 HG12 ILE 662 -15.559 -7.215 -20.958 77 HG13 ILE 662 HG11 ILE 662 -17.272 -6.822 -20.937 78 HG21 ILE 662 HG21 ILE 662 -14.597 -4.292 -20.118 79 HG22 ILE 662 HG22 ILE 662 -13.926 -5.740 -19.370 80 HG23 ILE 662 HG23 ILE 662 -14.676 -4.500 -18.366 81 HD11 ILE 662 HD11 ILE 662 -15.065 -5.100 -22.053 82 HD12 ILE 662 HD12 ILE 662 -16.782 -4.684 -22.027 83 HD13 ILE 662 HD13 ILE 662 -16.222 -6.064 -22.970 84 H CYS 663 HN CYS 663 -17.797 -8.776 -19.181 85 HA CYS 663 HA CYS 663 -20.385 -7.608 -18.794 86 HB2 CYS 663 HB2 CYS 663 -21.294 -9.896 -19.373 87 HB3 CYS 663 HB1 CYS 663 -20.192 -9.220 -20.565 88 H GLY 664 HN GLY 664 -18.261 -9.236 -16.658 89 HA2 GLY 664 HA2 GLY 664 -18.362 -9.750 -14.435 90 HA3 GLY 664 HA1 GLY 664 -19.796 -8.738 -14.359 91 H GLU 665 HN GLU 665 -19.331 -11.723 -16.185 92 HA GLU 665 HA GLU 665 -21.478 -13.062 -14.637 93 HB2 GLU 665 HB2 GLU 665 -21.181 -12.862 -17.664 94 HB3 GLU 665 HB1 GLU 665 -22.226 -14.044 -16.887 95 HG2 GLU 665 HG2 GLU 665 -22.516 -11.032 -16.586 96 HG3 GLU 665 HG1 GLU 665 -23.418 -12.019 -17.737 97 H LEU 666 HN LEU 666 -19.416 -13.948 -17.401 98 HA LEU 666 HA LEU 666 -17.986 -16.027 -15.890 99 HB2 LEU 666 HB2 LEU 666 -19.652 -16.506 -18.410 100 HB3 LEU 666 HB1 LEU 666 -18.402 -17.621 -17.875 101 HG LEU 666 HG LEU 666 -20.852 -16.919 -16.200 102 HD11 LEU 666 HD11 LEU 666 -21.592 -18.042 -18.240 103 HD12 LEU 666 HD12 LEU 666 -21.776 -19.101 -16.847 104 HD13 LEU 666 HD13 LEU 666 -20.438 -19.352 -17.972 105 HD21 LEU 666 HD21 LEU 666 -20.224 -18.901 -14.877 106 HD22 LEU 666 HD22 LEU 666 -18.928 -17.708 -14.887 107 HD23 LEU 666 HD23 LEU 666 -18.804 -19.148 -15.900 108 H ASP 667 HN ASP 667 -16.228 -16.978 -17.439 109 HA ASP 667 HA ASP 667 -15.794 -15.629 -19.941 110 HB2 ASP 667 HB2 ASP 667 -14.604 -14.135 -18.206 111 HB3 ASP 667 HB1 ASP 667 -13.457 -15.458 -17.995 112 H GLN 668 HN GLN 668 -16.452 -17.922 -20.197 113 HA GLN 668 HA GLN 668 -14.098 -19.625 -20.654 114 HB2 GLN 668 HB2 GLN 668 -16.640 -20.609 -19.271 115 HB3 GLN 668 HB1 GLN 668 -15.295 -21.622 -19.789 116 HG2 GLN 668 HG2 GLN 668 -13.826 -20.600 -18.150 117 HG3 GLN 668 HG1 GLN 668 -15.071 -19.441 -17.690 118 HE21 GLN 668 HE21 GLN 668 -16.869 -20.170 -16.474 119 HE22 GLN 668 HE22 GLN 668 -16.799 -21.645 -15.575 120 H ILE 669 HN ILE 669 -14.358 -21.096 -22.407 121 HA ILE 669 HA ILE 669 -16.003 -20.081 -24.526 122 HB ILE 669 HB ILE 669 -14.263 -22.594 -24.563 123 HG12 ILE 669 HG12 ILE 669 -13.512 -19.725 -25.313 124 HG13 ILE 669 HG11 ILE 669 -12.897 -20.629 -23.933 125 HG21 ILE 669 HG21 ILE 669 -14.173 -22.293 -27.020 126 HG22 ILE 669 HG22 ILE 669 -15.258 -20.907 -26.897 127 HG23 ILE 669 HG23 ILE 669 -15.834 -22.518 -26.468 128 HD11 ILE 669 HD11 ILE 669 -12.386 -21.262 -26.845 129 HD12 ILE 669 HD12 ILE 669 -11.792 -22.202 -25.472 130 HD13 ILE 669 HD13 ILE 669 -11.253 -20.540 -25.702 131 H ASP 670 HN ASP 670 -16.692 -22.299 -22.067 132 HA ASP 670 HA ASP 670 -18.161 -24.401 -22.979 133 HB2 ASP 670 HB2 ASP 670 -18.870 -22.531 -20.678 134 HB3 ASP 670 HB1 ASP 670 -19.695 -24.059 -20.953 135 H ARG 671 HN ARG 671 -19.447 -21.091 -22.621 136 HA ARG 671 HA ARG 671 -21.682 -21.733 -24.461 137 HB2 ARG 671 HB2 ARG 671 -22.401 -20.936 -22.204 138 HB3 ARG 671 HB1 ARG 671 -21.459 -19.467 -22.423 139 HG2 ARG 671 HG2 ARG 671 -23.796 -18.982 -22.825 140 HG3 ARG 671 HG1 ARG 671 -22.916 -18.838 -24.348 141 HD2 ARG 671 HD2 ARG 671 -23.692 -21.168 -24.926 142 HD3 ARG 671 HD1 ARG 671 -24.683 -21.146 -23.460 143 HE ARG 671 HE ARG 671 -25.209 -18.886 -25.137 144 HH11 ARG 671 HH11 ARG 671 -26.047 -22.277 -24.693 145 HH12 ARG 671 HH12 ARG 671 -27.456 -22.171 -25.694 146 HH21 ARG 671 HH21 ARG 671 -27.068 -18.777 -26.430 147 HH22 ARG 671 HH22 ARG 671 -28.030 -20.200 -26.679 148 H LYS 672 HN LYS 672 -19.403 -19.123 -23.532 149 HA LYS 672 HA LYS 672 -19.616 -17.958 -26.254 150 HB2 LYS 672 HB2 LYS 672 -19.248 -16.552 -23.575 151 HB3 LYS 672 HB1 LYS 672 -19.145 -15.747 -25.139 152 HG2 LYS 672 HG2 LYS 672 -21.603 -17.174 -24.075 153 HG3 LYS 672 HG1 LYS 672 -21.328 -15.433 -23.964 154 HD2 LYS 672 HD2 LYS 672 -21.496 -17.003 -26.569 155 HD3 LYS 672 HD1 LYS 672 -22.844 -16.120 -25.847 156 HE2 LYS 672 HE2 LYS 672 -20.219 -14.868 -26.747 157 HE3 LYS 672 HE1 LYS 672 -21.728 -14.839 -27.659 158 HZ1 LYS 672 HZ1 LYS 672 -21.396 -12.791 -26.434 159 HZ2 LYS 672 HZ2 LYS 672 -21.331 -13.639 -24.974 160 HZ3 LYS 672 HZ3 LYS 672 -22.762 -13.610 -25.873 161 HA PRO 673 HA PRO 673 -15.157 -18.736 -26.388 162 HB2 PRO 673 HB2 PRO 673 -14.543 -17.046 -28.506 163 HB3 PRO 673 HB1 PRO 673 -15.206 -18.660 -28.692 164 HG2 PRO 673 HG2 PRO 673 -16.608 -16.012 -28.763 165 HG3 PRO 673 HG1 PRO 673 -16.843 -17.423 -29.821 166 HD2 PRO 673 HD2 PRO 673 -18.536 -16.851 -27.769 167 HD3 PRO 673 HD1 PRO 673 -18.186 -18.529 -28.229 168 H ARG 674 HN ARG 674 -13.176 -17.609 -25.880 169 HA ARG 674 HA ARG 674 -13.449 -14.822 -25.044 170 HB2 ARG 674 HB2 ARG 674 -12.272 -15.478 -22.807 171 HB3 ARG 674 HB1 ARG 674 -13.998 -15.693 -22.979 172 HG2 ARG 674 HG2 ARG 674 -13.600 -17.716 -22.060 173 HG3 ARG 674 HG1 ARG 674 -13.181 -18.183 -23.702 174 HD2 ARG 674 HD2 ARG 674 -11.174 -17.258 -21.612 175 HD3 ARG 674 HD1 ARG 674 -11.559 -18.942 -21.947 176 HE ARG 674 HE ARG 674 -10.266 -17.085 -23.841 177 HH11 ARG 674 HH11 ARG 674 -10.662 -20.357 -22.644 178 HH12 ARG 674 HH12 ARG 674 -9.548 -21.030 -23.788 179 HH21 ARG 674 HH21 ARG 674 -8.834 -17.979 -25.330 180 HH22 ARG 674 HH22 ARG 674 -8.509 -19.681 -25.309 181 H VAL 675 HN VAL 675 -11.691 -13.624 -24.985 182 HA VAL 675 HA VAL 675 -9.186 -14.670 -26.090 183 HB VAL 675 HB VAL 675 -8.605 -12.403 -26.715 184 HG11 VAL 675 HG11 VAL 675 -10.400 -11.875 -28.328 185 HG12 VAL 675 HG12 VAL 675 -11.488 -12.968 -27.467 186 HG13 VAL 675 HG13 VAL 675 -10.053 -13.607 -28.272 187 HG21 VAL 675 HG21 VAL 675 -11.151 -11.414 -25.363 188 HG22 VAL 675 HG22 VAL 675 -10.050 -10.428 -26.332 189 HG23 VAL 675 HG23 VAL 675 -9.503 -11.119 -24.804 190 H GLN 676 HN GLN 676 -7.503 -14.920 -24.786 191 HA GLN 676 HA GLN 676 -7.551 -13.868 -22.038 192 HB2 GLN 676 HB2 GLN 676 -5.808 -16.036 -23.304 193 HB3 GLN 676 HB1 GLN 676 -5.799 -15.583 -21.600 194 HG2 GLN 676 HG2 GLN 676 -8.147 -16.788 -23.109 195 HG3 GLN 676 HG1 GLN 676 -7.081 -17.646 -21.995 196 HE21 GLN 676 HE21 GLN 676 -9.668 -15.272 -22.253 197 HE22 GLN 676 HE22 GLN 676 -10.145 -15.318 -20.596 198 H CYS 677 HN CYS 677 -6.763 -11.815 -22.095 199 HA CYS 677 HA CYS 677 -5.003 -10.912 -24.179 200 HB2 CYS 677 HB2 CYS 677 -6.771 -9.455 -23.253 201 HB3 CYS 677 HB1 CYS 677 -5.948 -9.426 -21.698 202 H LEU 678 HN LEU 678 -3.159 -12.038 -23.987 203 HA LEU 678 HA LEU 678 -1.614 -12.642 -21.760 204 HB2 LEU 678 HB2 LEU 678 0.200 -13.057 -23.476 205 HB3 LEU 678 HB1 LEU 678 -1.343 -13.818 -23.804 206 HG LEU 678 HG LEU 678 -1.615 -11.458 -25.239 207 HD11 LEU 678 HD11 LEU 678 0.390 -11.062 -26.557 208 HD12 LEU 678 HD12 LEU 678 1.292 -12.221 -25.579 209 HD13 LEU 678 HD13 LEU 678 0.681 -10.734 -24.848 210 HD21 LEU 678 HD21 LEU 678 -1.305 -12.778 -27.269 211 HD22 LEU 678 HD22 LEU 678 -2.206 -13.694 -26.062 212 HD23 LEU 678 HD23 LEU 678 -0.501 -14.054 -26.346 213 H LYS 679 HN LYS 679 -1.741 -9.634 -23.529 214 HA LYS 679 HA LYS 679 0.810 -8.600 -22.808 215 HB2 LYS 679 HB2 LYS 679 -0.426 -7.936 -24.846 216 HB3 LYS 679 HB1 LYS 679 -1.662 -7.170 -23.858 217 HG2 LYS 679 HG2 LYS 679 -0.149 -5.440 -23.152 218 HG3 LYS 679 HG1 LYS 679 1.242 -6.287 -23.831 219 HD2 LYS 679 HD2 LYS 679 -1.069 -5.201 -25.497 220 HD3 LYS 679 HD1 LYS 679 0.430 -4.315 -25.196 221 HE2 LYS 679 HE2 LYS 679 0.299 -7.043 -26.537 222 HE3 LYS 679 HE1 LYS 679 0.369 -5.514 -27.405 223 HZ1 LYS 679 HZ1 LYS 679 2.548 -6.550 -27.201 224 HZ2 LYS 679 HZ2 LYS 679 2.438 -6.495 -25.516 225 HZ3 LYS 679 HZ3 LYS 679 2.503 -5.059 -26.402 226 H CYS 680 HN CYS 680 -2.217 -8.703 -21.038 227 HA CYS 680 HA CYS 680 -0.903 -7.250 -18.827 228 HB2 CYS 680 HB2 CYS 680 -2.794 -5.808 -18.372 229 HB3 CYS 680 HB1 CYS 680 -2.374 -5.595 -20.068 230 H HIS 681 HN HIS 681 -2.151 -10.029 -19.736 231 HA HIS 681 HA HIS 681 -3.204 -11.833 -18.889 232 HB2 HIS 681 HB2 HIS 681 -2.144 -10.620 -16.308 233 HB3 HIS 681 HB1 HIS 681 -2.864 -12.226 -16.394 234 HD1 HIS 681 HD1 HIS 681 -1.185 -14.031 -16.637 235 HD2 HIS 681 HD2 HIS 681 0.171 -10.465 -18.300 236 HE1 HIS 681 HE1 HIS 681 1.150 -14.504 -17.429 237 HE2 HIS 681 HE2 HIS 681 2.003 -12.291 -18.282 238 H LEU 682 HN LEU 682 -5.028 -9.907 -19.552 239 HA LEU 682 HA LEU 682 -7.053 -9.885 -17.360 240 HB2 LEU 682 HB2 LEU 682 -6.181 -7.652 -18.283 241 HB3 LEU 682 HB1 LEU 682 -6.971 -8.041 -19.793 242 HG LEU 682 HG LEU 682 -8.207 -6.413 -18.347 243 HD11 LEU 682 HD11 LEU 682 -9.446 -7.652 -20.024 244 HD12 LEU 682 HD12 LEU 682 -10.436 -7.326 -18.606 245 HD13 LEU 682 HD13 LEU 682 -9.771 -8.943 -18.863 246 HD21 LEU 682 HD21 LEU 682 -8.655 -8.742 -16.475 247 HD22 LEU 682 HD22 LEU 682 -9.377 -7.136 -16.342 248 HD23 LEU 682 HD23 LEU 682 -7.636 -7.335 -16.160 249 H TRP 683 HN TRP 683 -8.646 -11.282 -17.666 250 HA TRP 683 HA TRP 683 -8.917 -12.694 -20.206 251 HB2 TRP 683 HB2 TRP 683 -10.430 -13.289 -17.634 252 HB3 TRP 683 HB1 TRP 683 -10.075 -14.386 -18.964 253 HD1 TRP 683 HD1 TRP 683 -9.335 -14.648 -15.725 254 HE1 TRP 683 HE1 TRP 683 -6.939 -15.296 -15.094 255 HE3 TRP 683 HE3 TRP 683 -6.919 -13.416 -20.097 256 HZ2 TRP 683 HZ2 TRP 683 -4.385 -15.297 -16.239 257 HZ3 TRP 683 HZ3 TRP 683 -4.492 -13.785 -20.229 258 HH2 TRP 683 HH2 TRP 683 -3.250 -14.706 -18.338 259 H GLN 684 HN GLN 684 -10.500 -12.195 -21.650 260 HA GLN 684 HA GLN 684 -13.052 -11.036 -20.817 261 HB2 GLN 684 HB2 GLN 684 -11.057 -9.295 -21.509 262 HB3 GLN 684 HB1 GLN 684 -11.707 -9.611 -23.100 263 HG2 GLN 684 HG2 GLN 684 -13.416 -8.180 -22.757 264 HG3 GLN 684 HG1 GLN 684 -13.911 -9.038 -21.301 265 HE21 GLN 684 HE21 GLN 684 -12.919 -8.426 -19.304 266 HE22 GLN 684 HE22 GLN 684 -12.309 -6.845 -19.070 267 H HIS 685 HN HIS 685 -14.736 -11.361 -22.440 268 HA HIS 685 HA HIS 685 -14.348 -13.710 -24.010 269 HB2 HIS 685 HB2 HIS 685 -16.730 -11.879 -23.698 270 HB3 HIS 685 HB1 HIS 685 -16.755 -13.177 -24.880 271 HD2 HIS 685 HD2 HIS 685 -16.098 -15.809 -23.473 272 HE1 HIS 685 HE1 HIS 685 -18.449 -14.457 -20.227 273 HE2 HIS 685 HE2 HIS 685 -17.613 -16.493 -21.491 274 H ALA 686 HN ALA 686 -14.491 -14.014 -26.272 275 HA ALA 686 HA ALA 686 -13.271 -12.173 -27.972 276 HB1 ALA 686 HB1 ALA 686 -15.160 -14.442 -28.692 277 HB2 ALA 686 HB2 ALA 686 -13.423 -14.592 -28.420 278 HB3 ALA 686 HB3 ALA 686 -14.023 -13.658 -29.792 279 H LYS 687 HN LYS 687 -16.754 -12.973 -27.680 280 HA LYS 687 HA LYS 687 -17.656 -10.939 -29.469 281 HB2 LYS 687 HB2 LYS 687 -19.023 -12.841 -27.559 282 HB3 LYS 687 HB1 LYS 687 -19.946 -11.524 -28.249 283 HG2 LYS 687 HG2 LYS 687 -20.287 -13.577 -29.520 284 HG3 LYS 687 HG1 LYS 687 -19.524 -12.334 -30.514 285 HD2 LYS 687 HD2 LYS 687 -17.348 -13.447 -30.318 286 HD3 LYS 687 HD1 LYS 687 -18.017 -14.628 -29.183 287 HE2 LYS 687 HE2 LYS 687 -17.793 -15.609 -31.413 288 HE3 LYS 687 HE1 LYS 687 -19.498 -15.490 -30.978 289 HZ1 LYS 687 HZ1 LYS 687 -18.077 -13.513 -32.679 290 HZ2 LYS 687 HZ2 LYS 687 -19.738 -13.596 -32.380 291 HZ3 LYS 687 HZ3 LYS 687 -18.980 -14.808 -33.282 292 H CYS 688 HN CYS 688 -16.674 -10.776 -26.154 293 HA CYS 688 HA CYS 688 -18.217 -8.375 -25.526 294 HB2 CYS 688 HB2 CYS 688 -16.074 -9.855 -23.955 295 HB3 CYS 688 HB1 CYS 688 -16.790 -8.346 -23.400 296 H VAL 689 HN VAL 689 -15.309 -9.062 -27.199 297 HA VAL 689 HA VAL 689 -14.279 -6.298 -26.821 298 HB VAL 689 HB VAL 689 -12.006 -7.051 -27.093 299 HG11 VAL 689 HG11 VAL 689 -13.394 -8.943 -25.155 300 HG12 VAL 689 HG12 VAL 689 -12.909 -7.284 -24.809 301 HG13 VAL 689 HG13 VAL 689 -11.681 -8.509 -25.130 302 HG21 VAL 689 HG21 VAL 689 -12.298 -8.802 -28.790 303 HG22 VAL 689 HG22 VAL 689 -13.057 -9.864 -27.604 304 HG23 VAL 689 HG23 VAL 689 -11.354 -9.425 -27.434 305 H ASN 690 HN ASN 690 -16.079 -7.823 -28.925 306 HA ASN 690 HA ASN 690 -16.560 -7.815 -31.135 307 HB2 ASN 690 HB2 ASN 690 -14.470 -5.593 -31.405 308 HB3 ASN 690 HB1 ASN 690 -15.665 -6.037 -32.623 309 HD21 ASN 690 HD21 ASN 690 -15.177 -4.550 -29.491 310 HD22 ASN 690 HD22 ASN 690 -16.692 -3.721 -29.422 311 H TYR 691 HN TYR 691 -15.621 -9.971 -31.025 312 HA TYR 691 HA TYR 691 -13.441 -10.515 -32.856 313 HB2 TYR 691 HB2 TYR 691 -12.436 -9.765 -30.559 314 HB3 TYR 691 HB1 TYR 691 -13.051 -11.267 -29.916 315 HD1 TYR 691 HD1 TYR 691 -12.074 -13.466 -30.852 316 HD2 TYR 691 HD2 TYR 691 -10.304 -9.654 -31.619 317 HE1 TYR 691 HE1 TYR 691 -9.944 -14.555 -31.384 318 HE2 TYR 691 HE2 TYR 691 -8.175 -10.756 -32.156 319 HH TYR 691 HH TYR 691 -7.020 -12.896 -31.673 320 H ASP 692 HN ASP 692 -13.106 -13.004 -32.950 321 HA ASP 692 HA ASP 692 -15.197 -14.668 -31.718 322 HB2 ASP 692 HB2 ASP 692 -16.079 -13.734 -33.938 323 HB3 ASP 692 HB1 ASP 692 -14.848 -14.682 -34.756 324 H GLU 693 HN GLU 693 -14.672 -16.949 -31.789 325 HA GLU 693 HA GLU 693 -11.930 -17.407 -31.295 326 HB2 GLU 693 HB2 GLU 693 -12.537 -19.725 -30.776 327 HB3 GLU 693 HB1 GLU 693 -13.631 -18.585 -30.027 328 HG2 GLU 693 HG2 GLU 693 -15.157 -20.147 -30.743 329 HG3 GLU 693 HG1 GLU 693 -15.142 -19.092 -32.155 330 H LYS 694 HN LYS 694 -13.808 -17.810 -34.145 331 HA LYS 694 HA LYS 694 -12.549 -19.492 -35.851 332 HB2 LYS 694 HB2 LYS 694 -13.629 -16.696 -36.265 333 HB3 LYS 694 HB1 LYS 694 -12.840 -17.490 -37.611 334 HG2 LYS 694 HG2 LYS 694 -15.302 -17.665 -37.685 335 HG3 LYS 694 HG1 LYS 694 -14.500 -19.235 -37.672 336 HD2 LYS 694 HD2 LYS 694 -15.107 -19.607 -35.368 337 HD3 LYS 694 HD1 LYS 694 -15.681 -17.951 -35.187 338 HE2 LYS 694 HE2 LYS 694 -16.938 -19.987 -37.055 339 HE3 LYS 694 HE1 LYS 694 -17.520 -19.634 -35.427 340 HZ1 LYS 694 HZ1 LYS 694 -18.756 -18.410 -37.106 341 HZ2 LYS 694 HZ2 LYS 694 -17.342 -17.668 -37.651 342 HZ3 LYS 694 HZ3 LYS 694 -17.917 -17.347 -36.090 343 H ASN 695 HN ASN 695 -11.284 -16.355 -34.799 344 HA ASN 695 HA ASN 695 -8.648 -16.984 -35.995 345 HB2 ASN 695 HB2 ASN 695 -8.325 -14.513 -36.222 346 HB3 ASN 695 HB1 ASN 695 -9.640 -15.143 -37.208 347 HD21 ASN 695 HD21 ASN 695 -8.817 -13.216 -34.433 348 HD22 ASN 695 HD22 ASN 695 -10.357 -12.449 -34.265 349 H LEU 696 HN LEU 696 -10.137 -16.907 -33.052 350 HA LEU 696 HA LEU 696 -8.162 -15.807 -31.325 351 HB2 LEU 696 HB2 LEU 696 -10.353 -16.522 -30.503 352 HB3 LEU 696 HB1 LEU 696 -10.040 -18.177 -30.982 353 HG LEU 696 HG LEU 696 -8.167 -18.192 -29.209 354 HD11 LEU 696 HD11 LEU 696 -8.333 -16.581 -27.382 355 HD12 LEU 696 HD12 LEU 696 -9.572 -15.679 -28.259 356 HD13 LEU 696 HD13 LEU 696 -7.928 -15.779 -28.899 357 HD21 LEU 696 HD21 LEU 696 -11.038 -17.892 -28.259 358 HD22 LEU 696 HD22 LEU 696 -9.728 -18.686 -27.377 359 HD23 LEU 696 HD23 LEU 696 -10.302 -19.365 -28.899 360 H LYS 697 HN LYS 697 -8.616 -18.997 -32.758 361 HA LYS 697 HA LYS 697 -6.203 -20.154 -31.728 362 HB2 LYS 697 HB2 LYS 697 -8.388 -21.012 -33.595 363 HB3 LYS 697 HB1 LYS 697 -6.863 -21.869 -33.749 364 HG2 LYS 697 HG2 LYS 697 -8.254 -23.136 -32.276 365 HG3 LYS 697 HG1 LYS 697 -6.989 -22.402 -31.290 366 HD2 LYS 697 HD2 LYS 697 -8.937 -22.081 -30.003 367 HD3 LYS 697 HD1 LYS 697 -8.724 -20.526 -30.813 368 HE2 LYS 697 HE2 LYS 697 -11.064 -21.133 -30.923 369 HE3 LYS 697 HE1 LYS 697 -10.376 -21.259 -32.543 370 HZ1 LYS 697 HZ1 LYS 697 -10.299 -23.598 -32.377 371 HZ2 LYS 697 HZ2 LYS 697 -11.851 -23.125 -31.889 372 HZ3 LYS 697 HZ3 LYS 697 -10.700 -23.582 -30.734 373 H ILE 698 HN ILE 698 -6.607 -17.882 -34.202 374 HA ILE 698 HA ILE 698 -4.179 -18.762 -35.671 375 HB ILE 698 HB ILE 698 -6.168 -16.645 -36.646 376 HG12 ILE 698 HG12 ILE 698 -6.223 -19.621 -37.329 377 HG13 ILE 698 HG11 ILE 698 -7.393 -18.764 -36.322 378 HG21 ILE 698 HG21 ILE 698 -5.193 -17.092 -38.860 379 HG22 ILE 698 HG22 ILE 698 -4.105 -18.297 -38.169 380 HG23 ILE 698 HG23 ILE 698 -3.947 -16.594 -37.716 381 HD11 ILE 698 HD11 ILE 698 -6.908 -18.278 -39.264 382 HD12 ILE 698 HD12 ILE 698 -8.080 -17.425 -38.250 383 HD13 ILE 698 HD13 ILE 698 -8.259 -19.155 -38.545 384 H LYS 699 HN LYS 699 -5.825 -15.696 -35.013 385 HA LYS 699 HA LYS 699 -3.310 -14.218 -35.176 386 HB2 LYS 699 HB2 LYS 699 -6.235 -13.358 -35.164 387 HB3 LYS 699 HB1 LYS 699 -4.878 -12.265 -35.433 388 HG2 LYS 699 HG2 LYS 699 -4.368 -13.211 -37.532 389 HG3 LYS 699 HG1 LYS 699 -5.260 -14.681 -37.189 390 HD2 LYS 699 HD2 LYS 699 -6.470 -13.366 -38.837 391 HD3 LYS 699 HD1 LYS 699 -7.388 -13.436 -37.330 392 HE2 LYS 699 HE2 LYS 699 -6.639 -11.173 -36.752 393 HE3 LYS 699 HE1 LYS 699 -5.661 -11.107 -38.220 394 HZ1 LYS 699 HZ1 LYS 699 -7.797 -9.958 -38.420 395 HZ2 LYS 699 HZ2 LYS 699 -8.608 -11.421 -38.179 396 HZ3 LYS 699 HZ3 LYS 699 -7.632 -11.208 -39.545 397 HA PRO 700 HA PRO 700 -2.916 -12.850 -30.819 398 HB2 PRO 700 HB2 PRO 700 -2.652 -10.070 -31.350 399 HB3 PRO 700 HB1 PRO 700 -1.338 -11.248 -31.255 400 HG2 PRO 700 HG2 PRO 700 -2.826 -10.244 -33.677 401 HG3 PRO 700 HG1 PRO 700 -1.081 -10.524 -33.464 402 HD2 PRO 700 HD2 PRO 700 -2.531 -12.270 -34.820 403 HD3 PRO 700 HD1 PRO 700 -1.335 -12.879 -33.647 404 H PHE 701 HN PHE 701 -4.039 -11.726 -29.183 405 HA PHE 701 HA PHE 701 -6.645 -10.563 -29.777 406 HB2 PHE 701 HB2 PHE 701 -7.676 -12.268 -28.103 407 HB3 PHE 701 HB1 PHE 701 -7.403 -12.781 -29.756 408 HD1 PHE 701 HD2 PHE 701 -5.677 -14.458 -30.279 409 HD2 PHE 701 HD1 PHE 701 -6.396 -13.242 -26.239 410 HE1 PHE 701 HE2 PHE 701 -4.454 -16.425 -29.466 411 HE2 PHE 701 HE1 PHE 701 -5.171 -15.229 -25.444 412 HZ PHE 701 HZ PHE 701 -4.200 -16.811 -27.056 413 H TYR 702 HN TYR 702 -7.156 -9.015 -28.355 414 HA TYR 702 HA TYR 702 -5.845 -8.903 -25.714 415 HB2 TYR 702 HB2 TYR 702 -5.814 -6.557 -27.679 416 HB3 TYR 702 HB1 TYR 702 -5.137 -6.561 -26.054 417 HD1 TYR 702 HD1 TYR 702 -3.269 -8.427 -25.617 418 HD2 TYR 702 HD2 TYR 702 -4.356 -6.984 -29.493 419 HE1 TYR 702 HE1 TYR 702 -1.133 -9.247 -26.519 420 HE2 TYR 702 HE2 TYR 702 -2.219 -7.801 -30.394 421 HH TYR 702 HH TYR 702 -0.222 -9.956 -28.772 422 H CYS 703 HN CYS 703 -6.842 -7.406 -24.256 423 HA CYS 703 HA CYS 703 -9.712 -7.151 -24.429 424 HB2 CYS 703 HB2 CYS 703 -9.579 -6.382 -22.148 425 HB3 CYS 703 HB1 CYS 703 -8.338 -7.625 -22.301 426 HA PRO 704 HA PRO 704 -10.102 -3.213 -26.440 427 HB2 PRO 704 HB2 PRO 704 -11.989 -2.283 -24.282 428 HB3 PRO 704 HB1 PRO 704 -12.252 -2.406 -26.025 429 HG2 PRO 704 HG2 PRO 704 -13.356 -4.181 -24.394 430 HG3 PRO 704 HG1 PRO 704 -12.644 -4.725 -25.930 431 HD2 PRO 704 HD2 PRO 704 -11.480 -4.862 -23.145 432 HD3 PRO 704 HD1 PRO 704 -11.503 -6.105 -24.414 433 H HIS 705 HN HIS 705 -9.423 -3.108 -23.035 434 HA HIS 705 HA HIS 705 -8.853 -0.381 -22.650 435 HB2 HIS 705 HB2 HIS 705 -7.850 -2.830 -21.148 436 HB3 HIS 705 HB1 HIS 705 -7.597 -1.177 -20.602 437 HD1 HIS 705 HD1 HIS 705 -9.408 -0.153 -19.217 438 HD2 HIS 705 HD2 HIS 705 -10.678 -3.608 -21.175 439 HE1 HIS 705 HE1 HIS 705 -11.723 -0.619 -18.341 440 HE2 HIS 705 HE2 HIS 705 -12.536 -2.595 -19.668 441 H CYS 706 HN CYS 706 -6.711 -3.104 -23.551 442 HA CYS 706 HA CYS 706 -4.259 -1.688 -23.467 443 HB2 CYS 706 HB2 CYS 706 -5.088 -4.251 -24.834 444 HB3 CYS 706 HB1 CYS 706 -3.465 -3.599 -25.061 445 H LEU 707 HN LEU 707 -6.685 -1.975 -25.991 446 HA LEU 707 HA LEU 707 -5.192 -0.972 -28.177 447 HB2 LEU 707 HB2 LEU 707 -8.167 -1.033 -27.579 448 HB3 LEU 707 HB1 LEU 707 -7.560 -0.272 -29.035 449 HG LEU 707 HG LEU 707 -8.357 -2.482 -29.576 450 HD11 LEU 707 HD11 LEU 707 -6.418 -3.456 -30.665 451 HD12 LEU 707 HD12 LEU 707 -5.334 -2.493 -29.658 452 HD13 LEU 707 HD13 LEU 707 -6.407 -1.699 -30.815 453 HD21 LEU 707 HD21 LEU 707 -6.440 -3.609 -27.516 454 HD22 LEU 707 HD22 LEU 707 -7.438 -4.546 -28.633 455 HD23 LEU 707 HD23 LEU 707 -8.200 -3.557 -27.390 456 H VAL 708 HN VAL 708 -7.240 0.640 -25.765 457 HA VAL 708 HA VAL 708 -6.930 3.296 -26.818 458 HB VAL 708 HB VAL 708 -7.923 2.435 -24.062 459 HG11 VAL 708 HG11 VAL 708 -7.404 4.839 -24.141 460 HG12 VAL 708 HG12 VAL 708 -9.149 4.597 -24.052 461 HG13 VAL 708 HG13 VAL 708 -8.396 5.027 -25.590 462 HG21 VAL 708 HG21 VAL 708 -9.544 2.866 -26.605 463 HG22 VAL 708 HG22 VAL 708 -10.210 2.515 -25.008 464 HG23 VAL 708 HG23 VAL 708 -9.225 1.308 -25.837 465 H ALA 709 HN ALA 709 -5.238 1.326 -24.482 466 HA ALA 709 HA ALA 709 -3.909 3.364 -23.005 467 HB1 ALA 709 HB1 ALA 709 -2.528 1.551 -22.103 468 HB2 ALA 709 HB2 ALA 709 -3.120 0.451 -23.354 469 HB3 ALA 709 HB3 ALA 709 -4.229 1.085 -22.137 470 H MET 710 HN MET 710 -3.021 1.530 -25.923 471 HA MET 710 HA MET 710 -0.311 2.336 -26.161 472 HB2 MET 710 HB2 MET 710 -2.312 1.552 -28.319 473 HB3 MET 710 HB1 MET 710 -0.589 1.772 -28.609 474 HG2 MET 710 HG2 MET 710 -0.099 -0.065 -27.037 475 HG3 MET 710 HG1 MET 710 -1.832 -0.303 -26.789 476 HE1 MET 710 HE1 MET 710 -2.961 0.210 -29.751 477 HE2 MET 710 HE2 MET 710 -3.500 -1.172 -28.794 478 HE3 MET 710 HE3 MET 710 -2.937 -1.408 -30.448 479 H GLU 711 HN GLU 711 -3.284 3.982 -26.951 480 HA GLU 711 HA GLU 711 -2.240 5.959 -28.708 481 HB2 GLU 711 HB2 GLU 711 -4.813 5.995 -27.062 482 HB3 GLU 711 HB1 GLU 711 -4.454 7.007 -28.462 483 HG2 GLU 711 HG2 GLU 711 -4.350 4.918 -29.856 484 HG3 GLU 711 HG1 GLU 711 -4.862 4.003 -28.439 485 HA PRO 712 HA PRO 712 -0.522 9.002 -25.803 486 HB2 PRO 712 HB2 PRO 712 -1.905 11.037 -27.550 487 HB3 PRO 712 HB1 PRO 712 -0.211 10.953 -27.038 488 HG2 PRO 712 HG2 PRO 712 -0.891 10.271 -29.518 489 HG3 PRO 712 HG1 PRO 712 0.330 9.330 -28.634 490 HD2 PRO 712 HD2 PRO 712 -2.572 8.647 -29.148 491 HD3 PRO 712 HD1 PRO 712 -1.135 7.607 -29.195 492 H VAL 713 HN VAL 713 -1.206 10.992 -24.539 493 HA VAL 713 HA VAL 713 -3.605 10.392 -23.041 494 HB VAL 713 HB VAL 713 -2.857 12.173 -21.499 495 HG11 VAL 713 HG11 VAL 713 -0.562 10.368 -22.357 496 HG12 VAL 713 HG12 VAL 713 -1.854 9.947 -21.229 497 HG13 VAL 713 HG13 VAL 713 -0.688 11.199 -20.802 498 HG21 VAL 713 HG21 VAL 713 -2.015 13.815 -23.134 499 HG22 VAL 713 HG22 VAL 713 -0.659 12.759 -23.528 500 HG23 VAL 713 HG23 VAL 713 -0.778 13.476 -21.919 501 H SER 714 HN SER 714 -4.669 12.709 -22.186 502 HA SER 714 HA SER 714 -6.261 13.662 -24.408 503 HB2 SER 714 HB2 SER 714 -7.302 13.162 -22.202 504 HB3 SER 714 HB1 SER 714 -6.325 14.419 -21.443 505 HG SER 714 HG SER 714 -8.627 14.855 -22.227 506 H THR 715 HN THR 715 -6.143 15.623 -25.392 507 HA THR 715 HA THR 715 -3.896 17.372 -25.006 508 HB THR 715 HB THR 715 -6.423 17.812 -26.672 509 HG1 THR 715 HG1 THR 715 -4.002 16.458 -27.157 510 HG21 THR 715 HG21 THR 715 -5.254 19.946 -26.288 511 HG22 THR 715 HG22 THR 715 -5.035 19.435 -27.965 512 HG23 THR 715 HG23 THR 715 -3.727 19.226 -26.799 513 H ARG 716 HN ARG 716 -3.814 18.547 -23.157 514 HA ARG 716 HA ARG 716 -6.226 19.865 -22.096 515 HB2 ARG 716 HB2 ARG 716 -3.476 19.381 -20.895 516 HB3 ARG 716 HB1 ARG 716 -4.721 20.353 -20.106 517 HG2 ARG 716 HG2 ARG 716 -4.998 17.423 -20.863 518 HG3 ARG 716 HG1 ARG 716 -4.649 18.035 -19.239 519 HD2 ARG 716 HD2 ARG 716 -6.828 19.225 -19.239 520 HD3 ARG 716 HD1 ARG 716 -7.169 18.593 -20.855 521 HE ARG 716 HE ARG 716 -6.661 16.615 -18.770 522 HH11 ARG 716 HH11 ARG 716 -9.093 18.311 -20.649 523 HH12 ARG 716 HH12 ARG 716 -10.380 17.263 -20.158 524 HH21 ARG 716 HH21 ARG 716 -8.358 15.227 -18.143 525 HH22 ARG 716 HH22 ARG 716 -9.961 15.495 -18.744 Start of MODEL 6 1 H PHE 652 HT1 PHE 652 -5.094 -7.493 7.283 2 HA PHE 652 HA PHE 652 -6.028 -9.087 4.977 3 HB2 PHE 652 HB2 PHE 652 -7.080 -6.455 6.105 4 HB3 PHE 652 HB1 PHE 652 -7.575 -7.138 4.561 5 HD1 PHE 652 HD1 PHE 652 -8.655 -9.500 4.599 6 HD2 PHE 652 HD2 PHE 652 -8.266 -7.046 8.078 7 HE1 PHE 652 HE1 PHE 652 -10.426 -10.797 5.715 8 HE2 PHE 652 HE2 PHE 652 -10.040 -8.349 9.187 9 HZ PHE 652 HZ PHE 652 -11.121 -10.225 8.007 10 H ASN 653 HN ASN 653 -3.538 -8.852 4.804 11 HA ASN 653 HA ASN 653 -2.776 -6.321 3.457 12 HB2 ASN 653 HB2 ASN 653 -1.017 -8.409 4.827 13 HB3 ASN 653 HB1 ASN 653 -0.411 -6.995 3.961 14 HD21 ASN 653 HD21 ASN 653 -0.838 -4.913 4.824 15 HD22 ASN 653 HD22 ASN 653 -1.180 -4.703 6.504 16 H THR 654 HN THR 654 -3.385 -6.718 1.395 17 HA THR 654 HA THR 654 -1.913 -8.624 -0.196 18 HB THR 654 HB THR 654 -3.706 -10.101 0.576 19 HG1 THR 654 HG1 THR 654 -4.638 -9.599 -1.996 20 HG21 THR 654 HG21 THR 654 -6.079 -9.682 0.076 21 HG22 THR 654 HG22 THR 654 -5.680 -8.091 -0.571 22 HG23 THR 654 HG23 THR 654 -5.435 -8.431 1.145 23 H SER 655 HN SER 655 -2.086 -8.193 -2.444 24 HA SER 655 HA SER 655 -3.478 -5.703 -3.261 25 HB2 SER 655 HB2 SER 655 -0.696 -6.608 -4.147 26 HB3 SER 655 HB1 SER 655 -1.537 -5.147 -4.676 27 HG SER 655 HG SER 655 -0.443 -5.757 -2.146 28 H ASP 656 HN ASP 656 -4.780 -6.001 -5.045 29 HA ASP 656 HA ASP 656 -4.520 -8.533 -6.565 30 HB2 ASP 656 HB2 ASP 656 -7.045 -7.428 -5.279 31 HB3 ASP 656 HB1 ASP 656 -7.027 -8.760 -6.430 32 H TYR 657 HN TYR 657 -4.129 -7.893 -8.573 33 HA TYR 657 HA TYR 657 -5.787 -5.930 -9.969 34 HB2 TYR 657 HB2 TYR 657 -3.678 -7.861 -11.076 35 HB3 TYR 657 HB1 TYR 657 -4.441 -6.550 -11.965 36 HD1 TYR 657 HD2 TYR 657 -1.894 -7.399 -9.420 37 HD2 TYR 657 HD1 TYR 657 -3.728 -4.210 -11.600 38 HE1 TYR 657 HE2 TYR 657 -0.068 -5.890 -8.757 39 HE2 TYR 657 HE1 TYR 657 -1.902 -2.707 -10.930 40 HH TYR 657 HH TYR 657 0.987 -3.823 -9.539 41 H ARG 658 HN ARG 658 -7.805 -7.023 -9.463 42 HA ARG 658 HA ARG 658 -8.395 -9.695 -10.222 43 HB2 ARG 658 HB2 ARG 658 -10.198 -7.308 -9.660 44 HB3 ARG 658 HB1 ARG 658 -10.762 -8.973 -9.779 45 HG2 ARG 658 HG2 ARG 658 -9.752 -9.613 -7.769 46 HG3 ARG 658 HG1 ARG 658 -8.566 -8.309 -7.826 47 HD2 ARG 658 HD2 ARG 658 -11.521 -7.941 -7.273 48 HD3 ARG 658 HD1 ARG 658 -10.250 -7.973 -6.051 49 HE ARG 658 HE ARG 658 -10.717 -5.873 -8.057 50 HH11 ARG 658 HH11 ARG 658 -8.968 -6.914 -5.186 51 HH12 ARG 658 HH12 ARG 658 -8.318 -5.338 -4.881 52 HH21 ARG 658 HH21 ARG 658 -9.876 -3.824 -7.614 53 HH22 ARG 658 HH22 ARG 658 -8.831 -3.591 -6.247 54 H PHE 659 HN PHE 659 -7.537 -9.776 -12.305 55 HA PHE 659 HA PHE 659 -8.527 -8.461 -14.606 56 HB2 PHE 659 HB2 PHE 659 -7.544 -10.806 -15.643 57 HB3 PHE 659 HB1 PHE 659 -6.558 -9.423 -15.224 58 HD1 PHE 659 HD2 PHE 659 -8.002 -12.385 -13.356 59 HD2 PHE 659 HD1 PHE 659 -4.543 -10.001 -14.185 60 HE1 PHE 659 HE2 PHE 659 -6.659 -13.775 -11.832 61 HE2 PHE 659 HE1 PHE 659 -3.220 -11.408 -12.659 62 HZ PHE 659 HZ PHE 659 -4.274 -13.288 -11.476 63 H GLU 660 HN GLU 660 -10.659 -8.453 -14.915 64 HA GLU 660 HA GLU 660 -12.084 -10.981 -15.401 65 HB2 GLU 660 HB2 GLU 660 -12.582 -10.269 -13.053 66 HB3 GLU 660 HB1 GLU 660 -13.155 -8.717 -13.647 67 HG2 GLU 660 HG2 GLU 660 -14.985 -9.862 -14.862 68 HG3 GLU 660 HG1 GLU 660 -14.408 -11.415 -14.262 69 H CYS 661 HN CYS 661 -13.876 -10.757 -16.813 70 HA CYS 661 HA CYS 661 -13.482 -8.948 -18.951 71 HB2 CYS 661 HB2 CYS 661 -14.323 -11.255 -19.224 72 HB3 CYS 661 HB1 CYS 661 -15.820 -10.805 -18.407 73 H ILE 662 HN ILE 662 -14.958 -7.393 -19.835 74 HA ILE 662 HA ILE 662 -15.834 -5.451 -18.017 75 HB ILE 662 HB ILE 662 -16.863 -4.291 -20.037 76 HG12 ILE 662 HG12 ILE 662 -15.670 -6.621 -21.623 77 HG13 ILE 662 HG11 ILE 662 -17.386 -6.458 -21.283 78 HG21 ILE 662 HG21 ILE 662 -13.970 -5.200 -20.337 79 HG22 ILE 662 HG22 ILE 662 -14.540 -3.857 -19.346 80 HG23 ILE 662 HG23 ILE 662 -14.695 -3.779 -21.100 81 HD11 ILE 662 HD11 ILE 662 -15.718 -4.540 -22.898 82 HD12 ILE 662 HD12 ILE 662 -17.443 -4.370 -22.547 83 HD13 ILE 662 HD13 ILE 662 -16.866 -5.725 -23.517 84 H CYS 663 HN CYS 663 -17.699 -8.116 -19.387 85 HA CYS 663 HA CYS 663 -20.259 -7.093 -18.473 86 HB2 CYS 663 HB2 CYS 663 -21.187 -9.289 -19.068 87 HB3 CYS 663 HB1 CYS 663 -20.169 -8.697 -20.372 88 H GLY 664 HN GLY 664 -17.735 -9.191 -17.238 89 HA2 GLY 664 HA2 GLY 664 -17.303 -10.099 -15.183 90 HA3 GLY 664 HA1 GLY 664 -18.551 -9.057 -14.522 91 H GLU 665 HN GLU 665 -18.466 -11.843 -16.757 92 HA GLU 665 HA GLU 665 -20.662 -13.135 -15.231 93 HB2 GLU 665 HB2 GLU 665 -20.156 -13.187 -18.240 94 HB3 GLU 665 HB1 GLU 665 -21.377 -14.147 -17.410 95 HG2 GLU 665 HG2 GLU 665 -21.296 -11.117 -17.525 96 HG3 GLU 665 HG1 GLU 665 -22.329 -12.156 -18.507 97 H LEU 666 HN LEU 666 -18.489 -14.315 -17.860 98 HA LEU 666 HA LEU 666 -17.368 -16.399 -16.084 99 HB2 LEU 666 HB2 LEU 666 -18.602 -16.847 -18.842 100 HB3 LEU 666 HB1 LEU 666 -17.585 -18.036 -18.044 101 HG LEU 666 HG LEU 666 -20.283 -17.058 -17.009 102 HD11 LEU 666 HD11 LEU 666 -19.551 -19.714 -18.297 103 HD12 LEU 666 HD12 LEU 666 -20.534 -18.442 -19.024 104 HD13 LEU 666 HD13 LEU 666 -21.122 -19.297 -17.601 105 HD21 LEU 666 HD21 LEU 666 -18.812 -17.684 -15.152 106 HD22 LEU 666 HD22 LEU 666 -18.452 -19.231 -15.923 107 HD23 LEU 666 HD23 LEU 666 -20.086 -18.887 -15.349 108 H ASP 667 HN ASP 667 -15.628 -17.676 -17.680 109 HA ASP 667 HA ASP 667 -14.097 -15.702 -19.274 110 HB2 ASP 667 HB2 ASP 667 -11.990 -16.372 -18.218 111 HB3 ASP 667 HB1 ASP 667 -13.108 -15.833 -16.971 112 H GLN 668 HN GLN 668 -15.697 -18.520 -19.445 113 HA GLN 668 HA GLN 668 -13.680 -20.249 -20.686 114 HB2 GLN 668 HB2 GLN 668 -15.665 -21.909 -20.720 115 HB3 GLN 668 HB1 GLN 668 -15.053 -21.410 -19.157 116 HG2 GLN 668 HG2 GLN 668 -17.403 -21.453 -18.948 117 HG3 GLN 668 HG1 GLN 668 -16.960 -19.753 -19.016 118 HE21 GLN 668 HE21 GLN 668 -17.550 -18.540 -20.876 119 HE22 GLN 668 HE22 GLN 668 -18.764 -19.092 -21.967 120 H ILE 669 HN ILE 669 -14.695 -21.684 -22.626 121 HA ILE 669 HA ILE 669 -15.222 -19.818 -24.856 122 HB ILE 669 HB ILE 669 -14.722 -22.837 -25.110 123 HG12 ILE 669 HG12 ILE 669 -12.589 -20.663 -25.227 124 HG13 ILE 669 HG11 ILE 669 -12.799 -21.793 -23.899 125 HG21 ILE 669 HG21 ILE 669 -14.009 -22.286 -27.413 126 HG22 ILE 669 HG22 ILE 669 -14.344 -20.576 -27.122 127 HG23 ILE 669 HG23 ILE 669 -15.661 -21.749 -27.109 128 HD11 ILE 669 HD11 ILE 669 -11.975 -22.474 -26.723 129 HD12 ILE 669 HD12 ILE 669 -12.247 -23.650 -25.434 130 HD13 ILE 669 HD13 ILE 669 -10.956 -22.459 -25.283 131 H ASP 670 HN ASP 670 -16.615 -22.610 -23.214 132 HA ASP 670 HA ASP 670 -17.989 -23.870 -25.202 133 HB2 ASP 670 HB2 ASP 670 -17.601 -24.871 -23.021 134 HB3 ASP 670 HB1 ASP 670 -18.661 -23.704 -22.247 135 H ARG 671 HN ARG 671 -19.468 -21.533 -22.963 136 HA ARG 671 HA ARG 671 -21.962 -21.457 -24.443 137 HB2 ARG 671 HB2 ARG 671 -21.013 -19.817 -22.049 138 HB3 ARG 671 HB1 ARG 671 -22.645 -19.797 -22.713 139 HG2 ARG 671 HG2 ARG 671 -21.257 -22.087 -21.284 140 HG3 ARG 671 HG1 ARG 671 -22.674 -21.174 -20.752 141 HD2 ARG 671 HD2 ARG 671 -22.498 -23.176 -23.033 142 HD3 ARG 671 HD1 ARG 671 -23.449 -23.309 -21.551 143 HE ARG 671 HE ARG 671 -24.551 -21.141 -22.614 144 HH11 ARG 671 HH11 ARG 671 -23.739 -24.182 -24.195 145 HH12 ARG 671 HH12 ARG 671 -24.986 -24.027 -25.388 146 HH21 ARG 671 HH21 ARG 671 -26.146 -20.937 -24.214 147 HH22 ARG 671 HH22 ARG 671 -26.347 -22.188 -25.394 148 H LYS 672 HN LYS 672 -19.355 -19.198 -23.670 149 HA LYS 672 HA LYS 672 -19.951 -17.569 -26.057 150 HB2 LYS 672 HB2 LYS 672 -19.275 -16.486 -23.284 151 HB3 LYS 672 HB1 LYS 672 -19.403 -15.525 -24.754 152 HG2 LYS 672 HG2 LYS 672 -21.656 -17.052 -23.409 153 HG3 LYS 672 HG1 LYS 672 -21.398 -15.309 -23.313 154 HD2 LYS 672 HD2 LYS 672 -22.085 -16.899 -25.820 155 HD3 LYS 672 HD1 LYS 672 -23.186 -15.866 -24.907 156 HE2 LYS 672 HE2 LYS 672 -21.696 -13.910 -25.445 157 HE3 LYS 672 HE1 LYS 672 -20.742 -14.980 -26.476 158 HZ1 LYS 672 HZ1 LYS 672 -23.599 -14.259 -26.817 159 HZ2 LYS 672 HZ2 LYS 672 -22.796 -15.411 -27.752 160 HZ3 LYS 672 HZ3 LYS 672 -22.313 -13.794 -27.812 161 HA PRO 673 HA PRO 673 -15.544 -18.526 -26.781 162 HB2 PRO 673 HB2 PRO 673 -15.927 -16.019 -28.439 163 HB3 PRO 673 HB1 PRO 673 -15.055 -17.508 -28.851 164 HG2 PRO 673 HG2 PRO 673 -17.511 -17.075 -29.803 165 HG3 PRO 673 HG1 PRO 673 -17.029 -18.696 -29.268 166 HD2 PRO 673 HD2 PRO 673 -18.838 -16.716 -27.931 167 HD3 PRO 673 HD1 PRO 673 -18.868 -18.490 -27.887 168 H ARG 674 HN ARG 674 -13.582 -17.752 -26.014 169 HA ARG 674 HA ARG 674 -13.669 -15.326 -24.311 170 HB2 ARG 674 HB2 ARG 674 -11.957 -16.468 -22.892 171 HB3 ARG 674 HB1 ARG 674 -13.482 -17.340 -22.973 172 HG2 ARG 674 HG2 ARG 674 -12.441 -18.831 -24.733 173 HG3 ARG 674 HG1 ARG 674 -10.897 -18.054 -24.384 174 HD2 ARG 674 HD2 ARG 674 -12.422 -19.218 -22.078 175 HD3 ARG 674 HD1 ARG 674 -11.675 -20.326 -23.201 176 HE ARG 674 HE ARG 674 -9.601 -18.798 -22.615 177 HH11 ARG 674 HH11 ARG 674 -11.988 -20.179 -20.410 178 HH12 ARG 674 HH12 ARG 674 -10.836 -20.427 -19.140 179 HH21 ARG 674 HH21 ARG 674 -8.116 -19.181 -20.919 180 HH22 ARG 674 HH22 ARG 674 -8.670 -19.872 -19.427 181 H VAL 675 HN VAL 675 -11.627 -14.250 -23.975 182 HA VAL 675 HA VAL 675 -9.407 -14.679 -25.780 183 HB VAL 675 HB VAL 675 -9.153 -12.184 -26.290 184 HG11 VAL 675 HG11 VAL 675 -11.471 -13.629 -27.599 185 HG12 VAL 675 HG12 VAL 675 -9.769 -13.751 -28.039 186 HG13 VAL 675 HG13 VAL 675 -10.631 -12.230 -28.273 187 HG21 VAL 675 HG21 VAL 675 -12.106 -12.048 -25.573 188 HG22 VAL 675 HG22 VAL 675 -11.186 -10.773 -26.374 189 HG23 VAL 675 HG23 VAL 675 -10.794 -11.239 -24.718 190 H GLN 676 HN GLN 676 -8.029 -15.124 -24.261 191 HA GLN 676 HA GLN 676 -7.865 -13.675 -21.743 192 HB2 GLN 676 HB2 GLN 676 -6.633 -16.214 -22.874 193 HB3 GLN 676 HB1 GLN 676 -5.908 -15.450 -21.465 194 HG2 GLN 676 HG2 GLN 676 -7.496 -17.291 -20.904 195 HG3 GLN 676 HG1 GLN 676 -7.893 -15.750 -20.158 196 HE21 GLN 676 HE21 GLN 676 -10.040 -16.227 -19.831 197 HE22 GLN 676 HE22 GLN 676 -11.180 -16.413 -21.116 198 H CYS 677 HN CYS 677 -7.257 -11.677 -22.428 199 HA CYS 677 HA CYS 677 -5.417 -10.942 -24.379 200 HB2 CYS 677 HB2 CYS 677 -7.088 -9.401 -23.455 201 HB3 CYS 677 HB1 CYS 677 -6.282 -9.420 -21.891 202 H LEU 678 HN LEU 678 -3.540 -12.021 -24.269 203 HA LEU 678 HA LEU 678 -2.141 -12.873 -22.033 204 HB2 LEU 678 HB2 LEU 678 -0.339 -13.458 -23.704 205 HB3 LEU 678 HB1 LEU 678 -1.947 -14.048 -24.074 206 HG LEU 678 HG LEU 678 -1.997 -11.729 -25.531 207 HD11 LEU 678 HD11 LEU 678 0.287 -11.058 -24.980 208 HD12 LEU 678 HD12 LEU 678 0.103 -11.369 -26.704 209 HD13 LEU 678 HD13 LEU 678 0.909 -12.560 -25.678 210 HD21 LEU 678 HD21 LEU 678 -2.562 -13.952 -26.404 211 HD22 LEU 678 HD22 LEU 678 -0.846 -14.338 -26.569 212 HD23 LEU 678 HD23 LEU 678 -1.562 -13.044 -27.536 213 H LYS 679 HN LYS 679 -1.909 -9.827 -23.671 214 HA LYS 679 HA LYS 679 0.630 -8.973 -22.832 215 HB2 LYS 679 HB2 LYS 679 -0.667 -7.866 -24.623 216 HB3 LYS 679 HB1 LYS 679 -1.849 -7.315 -23.445 217 HG2 LYS 679 HG2 LYS 679 -0.289 -5.794 -22.437 218 HG3 LYS 679 HG1 LYS 679 1.074 -6.497 -23.313 219 HD2 LYS 679 HD2 LYS 679 -1.240 -4.986 -24.605 220 HD3 LYS 679 HD1 LYS 679 0.338 -4.288 -24.235 221 HE2 LYS 679 HE2 LYS 679 1.388 -5.977 -25.763 222 HE3 LYS 679 HE1 LYS 679 -0.227 -6.545 -26.191 223 HZ1 LYS 679 HZ1 LYS 679 0.715 -3.757 -26.585 224 HZ2 LYS 679 HZ2 LYS 679 -0.722 -4.433 -27.171 225 HZ3 LYS 679 HZ3 LYS 679 0.770 -4.951 -27.776 226 H CYS 680 HN CYS 680 -2.583 -8.689 -21.235 227 HA CYS 680 HA CYS 680 -1.228 -7.676 -18.783 228 HB2 CYS 680 HB2 CYS 680 -3.057 -6.162 -18.348 229 HB3 CYS 680 HB1 CYS 680 -2.552 -5.889 -20.014 230 H HIS 681 HN HIS 681 -2.432 -10.363 -19.885 231 HA HIS 681 HA HIS 681 -3.496 -12.217 -19.156 232 HB2 HIS 681 HB2 HIS 681 -2.551 -11.049 -16.512 233 HB3 HIS 681 HB1 HIS 681 -3.324 -12.629 -16.608 234 HD1 HIS 681 HD1 HIS 681 -1.626 -14.413 -16.557 235 HD2 HIS 681 HD2 HIS 681 -0.257 -11.084 -18.635 236 HE1 HIS 681 HE1 HIS 681 0.693 -15.002 -17.315 237 HE2 HIS 681 HE2 HIS 681 1.416 -13.052 -18.731 238 H LEU 682 HN LEU 682 -5.332 -10.240 -19.815 239 HA LEU 682 HA LEU 682 -7.316 -10.043 -17.648 240 HB2 LEU 682 HB2 LEU 682 -6.579 -8.154 -19.391 241 HB3 LEU 682 HB1 LEU 682 -7.751 -8.920 -20.436 242 HG LEU 682 HG LEU 682 -8.731 -6.972 -19.338 243 HD11 LEU 682 HD11 LEU 682 -10.266 -8.824 -19.772 244 HD12 LEU 682 HD12 LEU 682 -10.742 -7.925 -18.332 245 HD13 LEU 682 HD13 LEU 682 -9.938 -9.489 -18.169 246 HD21 LEU 682 HD21 LEU 682 -7.293 -6.886 -17.362 247 HD22 LEU 682 HD22 LEU 682 -8.110 -8.301 -16.693 248 HD23 LEU 682 HD23 LEU 682 -8.996 -6.791 -16.919 249 H TRP 683 HN TRP 683 -8.949 -11.448 -17.482 250 HA TRP 683 HA TRP 683 -9.332 -13.534 -19.498 251 HB2 TRP 683 HB2 TRP 683 -10.769 -13.301 -16.822 252 HB3 TRP 683 HB1 TRP 683 -10.565 -14.740 -17.811 253 HD1 TRP 683 HD1 TRP 683 -9.702 -14.203 -14.644 254 HE1 TRP 683 HE1 TRP 683 -7.352 -14.896 -13.935 255 HE3 TRP 683 HE3 TRP 683 -7.385 -14.313 -19.234 256 HZ2 TRP 683 HZ2 TRP 683 -4.876 -15.397 -15.090 257 HZ3 TRP 683 HZ3 TRP 683 -5.010 -14.914 -19.325 258 HH2 TRP 683 HH2 TRP 683 -3.769 -15.449 -17.285 259 H GLN 684 HN GLN 684 -10.445 -12.577 -21.166 260 HA GLN 684 HA GLN 684 -13.020 -11.237 -20.550 261 HB2 GLN 684 HB2 GLN 684 -10.937 -9.935 -21.535 262 HB3 GLN 684 HB1 GLN 684 -11.404 -10.672 -23.057 263 HG2 GLN 684 HG2 GLN 684 -13.137 -9.220 -23.358 264 HG3 GLN 684 HG1 GLN 684 -13.681 -9.370 -21.690 265 HE21 GLN 684 HE21 GLN 684 -12.509 -8.148 -20.074 266 HE22 GLN 684 HE22 GLN 684 -11.755 -6.668 -20.466 267 H HIS 685 HN HIS 685 -14.513 -11.243 -22.546 268 HA HIS 685 HA HIS 685 -14.539 -13.886 -23.872 269 HB2 HIS 685 HB2 HIS 685 -16.769 -11.869 -23.445 270 HB3 HIS 685 HB1 HIS 685 -16.940 -13.297 -24.450 271 HD2 HIS 685 HD2 HIS 685 -16.577 -15.796 -22.868 272 HE1 HIS 685 HE1 HIS 685 -18.207 -13.834 -19.488 273 HE2 HIS 685 HE2 HIS 685 -17.902 -16.062 -20.653 274 H ALA 686 HN ALA 686 -14.334 -14.009 -26.030 275 HA ALA 686 HA ALA 686 -13.365 -12.005 -27.688 276 HB1 ALA 686 HB1 ALA 686 -14.880 -14.512 -28.488 277 HB2 ALA 686 HB2 ALA 686 -13.151 -14.419 -28.151 278 HB3 ALA 686 HB3 ALA 686 -13.828 -13.560 -29.537 279 H LYS 687 HN LYS 687 -16.695 -13.282 -27.475 280 HA LYS 687 HA LYS 687 -17.839 -11.586 -29.428 281 HB2 LYS 687 HB2 LYS 687 -18.862 -13.517 -27.386 282 HB3 LYS 687 HB1 LYS 687 -20.022 -12.296 -27.875 283 HG2 LYS 687 HG2 LYS 687 -20.183 -14.427 -29.178 284 HG3 LYS 687 HG1 LYS 687 -19.935 -12.990 -30.172 285 HD2 LYS 687 HD2 LYS 687 -17.491 -13.559 -30.309 286 HD3 LYS 687 HD1 LYS 687 -17.823 -15.043 -29.414 287 HE2 LYS 687 HE2 LYS 687 -17.680 -15.485 -31.824 288 HE3 LYS 687 HE1 LYS 687 -19.313 -15.802 -31.238 289 HZ1 LYS 687 HZ1 LYS 687 -20.006 -13.663 -32.107 290 HZ2 LYS 687 HZ2 LYS 687 -19.314 -14.598 -33.335 291 HZ3 LYS 687 HZ3 LYS 687 -18.435 -13.333 -32.637 292 H CYS 688 HN CYS 688 -17.240 -11.068 -26.020 293 HA CYS 688 HA CYS 688 -18.893 -8.792 -25.625 294 HB2 CYS 688 HB2 CYS 688 -16.446 -9.812 -24.170 295 HB3 CYS 688 HB1 CYS 688 -17.258 -8.327 -23.681 296 H VAL 689 HN VAL 689 -15.782 -9.171 -27.171 297 HA VAL 689 HA VAL 689 -15.501 -6.228 -27.481 298 HB VAL 689 HB VAL 689 -13.071 -6.577 -27.809 299 HG11 VAL 689 HG11 VAL 689 -14.069 -7.816 -25.209 300 HG12 VAL 689 HG12 VAL 689 -13.880 -6.092 -25.534 301 HG13 VAL 689 HG13 VAL 689 -12.460 -7.135 -25.476 302 HG21 VAL 689 HG21 VAL 689 -13.082 -8.871 -28.726 303 HG22 VAL 689 HG22 VAL 689 -13.570 -9.514 -27.157 304 HG23 VAL 689 HG23 VAL 689 -11.985 -8.756 -27.348 305 H ASN 690 HN ASN 690 -17.036 -8.341 -29.048 306 HA ASN 690 HA ASN 690 -17.783 -8.640 -31.154 307 HB2 ASN 690 HB2 ASN 690 -16.032 -6.227 -31.799 308 HB3 ASN 690 HB1 ASN 690 -17.150 -6.958 -32.948 309 HD21 ASN 690 HD21 ASN 690 -19.378 -6.665 -32.671 310 HD22 ASN 690 HD22 ASN 690 -20.024 -5.484 -31.589 311 H TYR 691 HN TYR 691 -14.971 -9.631 -30.254 312 HA TYR 691 HA TYR 691 -13.709 -10.471 -32.760 313 HB2 TYR 691 HB2 TYR 691 -12.554 -9.638 -30.558 314 HB3 TYR 691 HB1 TYR 691 -12.937 -11.216 -29.900 315 HD1 TYR 691 HD1 TYR 691 -11.008 -9.493 -32.616 316 HD2 TYR 691 HD2 TYR 691 -11.427 -13.039 -30.278 317 HE1 TYR 691 HE1 TYR 691 -8.814 -10.271 -33.398 318 HE2 TYR 691 HE2 TYR 691 -9.236 -13.816 -31.062 319 HH TYR 691 HH TYR 691 -7.604 -13.463 -32.711 320 H ASP 692 HN ASP 692 -12.983 -13.041 -32.494 321 HA ASP 692 HA ASP 692 -15.196 -14.657 -31.430 322 HB2 ASP 692 HB2 ASP 692 -15.488 -15.924 -33.538 323 HB3 ASP 692 HB1 ASP 692 -15.916 -14.227 -33.725 324 H GLU 693 HN GLU 693 -14.786 -17.028 -31.757 325 HA GLU 693 HA GLU 693 -12.307 -17.699 -30.509 326 HB2 GLU 693 HB2 GLU 693 -13.270 -20.115 -30.717 327 HB3 GLU 693 HB1 GLU 693 -14.112 -18.965 -29.691 328 HG2 GLU 693 HG2 GLU 693 -15.818 -18.602 -31.361 329 HG3 GLU 693 HG1 GLU 693 -14.930 -19.553 -32.534 330 H LYS 694 HN LYS 694 -13.442 -17.928 -33.844 331 HA LYS 694 HA LYS 694 -11.712 -20.006 -34.713 332 HB2 LYS 694 HB2 LYS 694 -13.154 -17.832 -36.275 333 HB3 LYS 694 HB1 LYS 694 -12.122 -19.008 -37.067 334 HG2 LYS 694 HG2 LYS 694 -14.372 -19.769 -37.314 335 HG3 LYS 694 HG1 LYS 694 -13.581 -20.841 -36.158 336 HD2 LYS 694 HD2 LYS 694 -14.688 -19.629 -34.299 337 HD3 LYS 694 HD1 LYS 694 -15.493 -18.577 -35.467 338 HE2 LYS 694 HE2 LYS 694 -16.671 -20.537 -36.419 339 HE3 LYS 694 HE1 LYS 694 -15.846 -21.596 -35.272 340 HZ1 LYS 694 HZ1 LYS 694 -17.649 -19.373 -34.490 341 HZ2 LYS 694 HZ2 LYS 694 -16.961 -20.527 -33.466 342 HZ3 LYS 694 HZ3 LYS 694 -18.123 -20.991 -34.601 343 H ASN 695 HN ASN 695 -11.367 -16.433 -34.843 344 HA ASN 695 HA ASN 695 -8.560 -16.708 -35.632 345 HB2 ASN 695 HB2 ASN 695 -8.523 -14.198 -35.710 346 HB3 ASN 695 HB1 ASN 695 -9.646 -14.961 -36.818 347 HD21 ASN 695 HD21 ASN 695 -10.615 -14.629 -33.453 348 HD22 ASN 695 HD22 ASN 695 -11.735 -13.358 -33.734 349 H LEU 696 HN LEU 696 -10.155 -16.812 -32.704 350 HA LEU 696 HA LEU 696 -8.238 -15.635 -30.954 351 HB2 LEU 696 HB2 LEU 696 -10.345 -16.336 -30.012 352 HB3 LEU 696 HB1 LEU 696 -10.173 -17.948 -30.657 353 HG LEU 696 HG LEU 696 -8.238 -18.273 -28.989 354 HD11 LEU 696 HD11 LEU 696 -7.842 -15.924 -28.435 355 HD12 LEU 696 HD12 LEU 696 -8.214 -16.876 -27.003 356 HD13 LEU 696 HD13 LEU 696 -9.445 -15.819 -27.698 357 HD21 LEU 696 HD21 LEU 696 -9.750 -18.873 -27.153 358 HD22 LEU 696 HD22 LEU 696 -10.433 -19.342 -28.707 359 HD23 LEU 696 HD23 LEU 696 -11.042 -17.908 -27.878 360 H LYS 697 HN LYS 697 -8.527 -18.906 -32.396 361 HA LYS 697 HA LYS 697 -6.139 -20.015 -31.360 362 HB2 LYS 697 HB2 LYS 697 -7.803 -20.703 -33.796 363 HB3 LYS 697 HB1 LYS 697 -6.263 -21.511 -33.553 364 HG2 LYS 697 HG2 LYS 697 -7.796 -23.006 -32.627 365 HG3 LYS 697 HG1 LYS 697 -7.185 -22.151 -31.210 366 HD2 LYS 697 HD2 LYS 697 -9.542 -22.287 -30.902 367 HD3 LYS 697 HD1 LYS 697 -9.248 -20.628 -31.435 368 HE2 LYS 697 HE2 LYS 697 -11.159 -21.446 -32.647 369 HE3 LYS 697 HE1 LYS 697 -9.812 -21.372 -33.783 370 HZ1 LYS 697 HZ1 LYS 697 -11.074 -23.401 -34.026 371 HZ2 LYS 697 HZ2 LYS 697 -10.777 -23.812 -32.412 372 HZ3 LYS 697 HZ3 LYS 697 -9.499 -23.742 -33.513 373 H ILE 698 HN ILE 698 -6.699 -18.118 -34.301 374 HA ILE 698 HA ILE 698 -4.029 -18.572 -35.363 375 HB ILE 698 HB ILE 698 -6.046 -16.538 -36.438 376 HG12 ILE 698 HG12 ILE 698 -5.954 -19.505 -37.178 377 HG13 ILE 698 HG11 ILE 698 -7.167 -18.756 -36.141 378 HG21 ILE 698 HG21 ILE 698 -3.777 -16.404 -37.388 379 HG22 ILE 698 HG22 ILE 698 -4.932 -16.943 -38.603 380 HG23 ILE 698 HG23 ILE 698 -3.846 -18.108 -37.846 381 HD11 ILE 698 HD11 ILE 698 -7.920 -17.371 -38.005 382 HD12 ILE 698 HD12 ILE 698 -8.014 -19.091 -38.381 383 HD13 ILE 698 HD13 ILE 698 -6.708 -18.116 -39.053 384 H LYS 699 HN LYS 699 -5.879 -15.623 -34.706 385 HA LYS 699 HA LYS 699 -3.498 -13.981 -34.990 386 HB2 LYS 699 HB2 LYS 699 -6.478 -13.415 -34.899 387 HB3 LYS 699 HB1 LYS 699 -5.281 -12.134 -35.058 388 HG2 LYS 699 HG2 LYS 699 -4.617 -12.842 -37.212 389 HG3 LYS 699 HG1 LYS 699 -5.309 -14.444 -37.000 390 HD2 LYS 699 HD2 LYS 699 -6.647 -13.076 -38.568 391 HD3 LYS 699 HD1 LYS 699 -7.569 -13.538 -37.135 392 HE2 LYS 699 HE2 LYS 699 -7.199 -11.297 -36.172 393 HE3 LYS 699 HE1 LYS 699 -6.263 -10.846 -37.596 394 HZ1 LYS 699 HZ1 LYS 699 -8.186 -10.985 -38.947 395 HZ2 LYS 699 HZ2 LYS 699 -8.606 -10.077 -37.584 396 HZ3 LYS 699 HZ3 LYS 699 -9.100 -11.687 -37.711 397 HA PRO 700 HA PRO 700 -2.960 -12.652 -30.658 398 HB2 PRO 700 HB2 PRO 700 -2.440 -9.934 -31.159 399 HB3 PRO 700 HB1 PRO 700 -1.238 -11.228 -31.250 400 HG2 PRO 700 HG2 PRO 700 -2.897 -10.018 -33.471 401 HG3 PRO 700 HG1 PRO 700 -1.145 -10.346 -33.434 402 HD2 PRO 700 HD2 PRO 700 -2.766 -12.011 -34.699 403 HD3 PRO 700 HD1 PRO 700 -1.486 -12.689 -33.663 404 H PHE 701 HN PHE 701 -4.302 -11.947 -29.097 405 HA PHE 701 HA PHE 701 -6.782 -10.507 -29.816 406 HB2 PHE 701 HB2 PHE 701 -7.897 -12.134 -28.119 407 HB3 PHE 701 HB1 PHE 701 -7.520 -12.745 -29.720 408 HD1 PHE 701 HD2 PHE 701 -5.636 -14.335 -30.052 409 HD2 PHE 701 HD1 PHE 701 -6.792 -13.070 -26.130 410 HE1 PHE 701 HE2 PHE 701 -4.387 -16.216 -29.077 411 HE2 PHE 701 HE1 PHE 701 -5.539 -14.964 -25.171 412 HZ PHE 701 HZ PHE 701 -4.336 -16.529 -26.635 413 H TYR 702 HN TYR 702 -7.100 -8.760 -28.591 414 HA TYR 702 HA TYR 702 -5.911 -8.574 -25.894 415 HB2 TYR 702 HB2 TYR 702 -5.551 -6.458 -28.072 416 HB3 TYR 702 HB1 TYR 702 -5.022 -6.299 -26.396 417 HD1 TYR 702 HD2 TYR 702 -3.420 -8.313 -25.570 418 HD2 TYR 702 HD1 TYR 702 -3.921 -7.133 -29.645 419 HE1 TYR 702 HE2 TYR 702 -1.281 -9.388 -26.144 420 HE2 TYR 702 HE1 TYR 702 -1.786 -8.209 -30.215 421 HH TYR 702 HH TYR 702 -0.180 -10.356 -28.178 422 H CYS 703 HN CYS 703 -6.902 -7.127 -24.509 423 HA CYS 703 HA CYS 703 -9.704 -6.600 -24.869 424 HB2 CYS 703 HB2 CYS 703 -9.664 -5.956 -22.546 425 HB3 CYS 703 HB1 CYS 703 -8.567 -7.319 -22.700 426 HA PRO 704 HA PRO 704 -9.617 -2.437 -26.494 427 HB2 PRO 704 HB2 PRO 704 -11.608 -1.115 -25.092 428 HB3 PRO 704 HB1 PRO 704 -11.936 -2.326 -26.340 429 HG2 PRO 704 HG2 PRO 704 -11.809 -2.694 -23.341 430 HG3 PRO 704 HG1 PRO 704 -13.069 -3.237 -24.478 431 HD2 PRO 704 HD2 PRO 704 -11.207 -4.944 -23.627 432 HD3 PRO 704 HD1 PRO 704 -11.721 -4.973 -25.329 433 H HIS 705 HN HIS 705 -9.348 -2.722 -22.993 434 HA HIS 705 HA HIS 705 -8.458 -0.148 -22.315 435 HB2 HIS 705 HB2 HIS 705 -7.851 -2.846 -21.056 436 HB3 HIS 705 HB1 HIS 705 -7.283 -1.334 -20.363 437 HD1 HIS 705 HD1 HIS 705 -8.713 -0.633 -18.487 438 HD2 HIS 705 HD2 HIS 705 -10.918 -2.580 -21.430 439 HE1 HIS 705 HE1 HIS 705 -11.064 -0.727 -17.617 440 HE2 HIS 705 HE2 HIS 705 -12.361 -1.986 -19.369 441 H CYS 706 HN CYS 706 -6.640 -2.981 -23.485 442 HA CYS 706 HA CYS 706 -4.049 -1.790 -23.339 443 HB2 CYS 706 HB2 CYS 706 -5.105 -4.224 -24.791 444 HB3 CYS 706 HB1 CYS 706 -3.452 -3.671 -25.043 445 H LEU 707 HN LEU 707 -6.533 -1.919 -25.864 446 HA LEU 707 HA LEU 707 -4.964 -0.930 -28.022 447 HB2 LEU 707 HB2 LEU 707 -7.977 -0.740 -27.644 448 HB3 LEU 707 HB1 LEU 707 -7.117 -0.587 -29.171 449 HG LEU 707 HG LEU 707 -7.314 -3.123 -27.482 450 HD11 LEU 707 HD11 LEU 707 -8.675 -4.034 -29.312 451 HD12 LEU 707 HD12 LEU 707 -8.605 -2.482 -30.151 452 HD13 LEU 707 HD13 LEU 707 -9.428 -2.611 -28.595 453 HD21 LEU 707 HD21 LEU 707 -6.190 -4.283 -29.351 454 HD22 LEU 707 HD22 LEU 707 -5.150 -3.059 -28.629 455 HD23 LEU 707 HD23 LEU 707 -5.947 -2.736 -30.170 456 H VAL 708 HN VAL 708 -6.942 0.620 -25.558 457 HA VAL 708 HA VAL 708 -6.489 3.332 -26.547 458 HB VAL 708 HB VAL 708 -8.023 2.345 -24.088 459 HG11 VAL 708 HG11 VAL 708 -8.039 5.110 -25.363 460 HG12 VAL 708 HG12 VAL 708 -7.353 4.691 -23.792 461 HG13 VAL 708 HG13 VAL 708 -9.093 4.580 -24.047 462 HG21 VAL 708 HG21 VAL 708 -10.076 2.743 -25.417 463 HG22 VAL 708 HG22 VAL 708 -9.046 1.531 -26.178 464 HG23 VAL 708 HG23 VAL 708 -9.092 3.173 -26.819 465 H ALA 709 HN ALA 709 -4.898 1.135 -24.433 466 HA ALA 709 HA ALA 709 -3.574 3.117 -22.779 467 HB1 ALA 709 HB1 ALA 709 -2.201 1.246 -21.973 468 HB2 ALA 709 HB2 ALA 709 -2.877 0.191 -23.218 469 HB3 ALA 709 HB3 ALA 709 -3.914 0.826 -21.937 470 H MET 710 HN MET 710 -2.951 1.431 -25.804 471 HA MET 710 HA MET 710 -0.227 2.443 -26.081 472 HB2 MET 710 HB2 MET 710 -1.989 0.841 -27.988 473 HB3 MET 710 HB1 MET 710 -0.312 1.270 -28.311 474 HG2 MET 710 HG2 MET 710 0.446 -0.082 -26.442 475 HG3 MET 710 HG1 MET 710 -1.215 -0.418 -25.958 476 HE1 MET 710 HE1 MET 710 -2.549 -0.904 -28.907 477 HE2 MET 710 HE2 MET 710 -2.919 -1.869 -27.479 478 HE3 MET 710 HE3 MET 710 -2.439 -2.661 -28.980 479 H GLU 711 HN GLU 711 -3.356 2.822 -27.777 480 HA GLU 711 HA GLU 711 -4.358 4.493 -28.919 481 HB2 GLU 711 HB2 GLU 711 -2.211 6.249 -27.638 482 HB3 GLU 711 HB1 GLU 711 -3.569 6.880 -28.567 483 HG2 GLU 711 HG2 GLU 711 -5.143 5.923 -26.948 484 HG3 GLU 711 HG1 GLU 711 -3.797 5.258 -26.020 485 HA PRO 712 HA PRO 712 -2.092 5.190 -32.859 486 HB2 PRO 712 HB2 PRO 712 -3.030 7.684 -33.625 487 HB3 PRO 712 HB1 PRO 712 -3.901 6.171 -33.890 488 HG2 PRO 712 HG2 PRO 712 -4.241 8.185 -31.666 489 HG3 PRO 712 HG1 PRO 712 -5.489 7.365 -32.630 490 HD2 PRO 712 HD2 PRO 712 -4.903 6.518 -30.160 491 HD3 PRO 712 HD1 PRO 712 -5.247 5.343 -31.455 492 H VAL 713 HN VAL 713 -0.070 5.325 -32.021 493 HA VAL 713 HA VAL 713 1.056 7.734 -30.829 494 HB VAL 713 HB VAL 713 3.145 6.434 -30.591 495 HG11 VAL 713 HG11 VAL 713 0.711 4.814 -29.746 496 HG12 VAL 713 HG12 VAL 713 1.426 6.157 -28.854 497 HG13 VAL 713 HG13 VAL 713 2.336 4.664 -29.069 498 HG21 VAL 713 HG21 VAL 713 1.726 4.198 -32.108 499 HG22 VAL 713 HG22 VAL 713 3.299 4.057 -31.316 500 HG23 VAL 713 HG23 VAL 713 3.098 5.140 -32.692 501 H SER 714 HN SER 714 0.834 6.272 -33.936 502 HA SER 714 HA SER 714 2.747 8.190 -35.136 503 HB2 SER 714 HB2 SER 714 3.506 5.811 -35.283 504 HB3 SER 714 HB1 SER 714 2.012 5.386 -36.115 505 HG SER 714 HG SER 714 4.285 6.551 -37.071 506 H THR 715 HN THR 715 1.690 9.713 -36.257 507 HA THR 715 HA THR 715 -0.793 9.069 -37.724 508 HB THR 715 HB THR 715 -1.439 10.179 -35.588 509 HG1 THR 715 HG1 THR 715 -2.891 11.449 -36.567 510 HG21 THR 715 HG21 THR 715 0.586 11.525 -35.174 511 HG22 THR 715 HG22 THR 715 -0.857 12.540 -35.159 512 HG23 THR 715 HG23 THR 715 0.204 12.545 -36.567 513 H ARG 716 HN ARG 716 -1.312 11.075 -39.210 514 HA ARG 716 HA ARG 716 0.880 11.226 -41.047 515 HB2 ARG 716 HB2 ARG 716 -1.961 12.319 -41.136 516 HB3 ARG 716 HB1 ARG 716 -0.821 12.507 -42.468 517 HG2 ARG 716 HG2 ARG 716 -1.696 9.834 -41.322 518 HG3 ARG 716 HG1 ARG 716 -2.402 10.582 -42.760 519 HD2 ARG 716 HD2 ARG 716 -0.275 10.442 -43.933 520 HD3 ARG 716 HD1 ARG 716 0.542 9.866 -42.475 521 HE ARG 716 HE ARG 716 -1.568 8.103 -43.125 522 HH11 ARG 716 HH11 ARG 716 1.586 9.019 -44.407 523 HH12 ARG 716 HH12 ARG 716 1.889 7.450 -45.076 524 HH21 ARG 716 HH21 ARG 716 -1.134 6.053 -43.994 525 HH22 ARG 716 HH22 ARG 716 0.354 5.774 -44.839 Start of MODEL 7 1 H PHE 652 HT1 PHE 652 -0.854 -4.557 2.985 2 HA PHE 652 HA PHE 652 -0.599 -4.915 0.641 3 HB2 PHE 652 HB2 PHE 652 -2.590 -6.899 1.844 4 HB3 PHE 652 HB1 PHE 652 -1.481 -7.229 0.519 5 HD1 PHE 652 HD2 PHE 652 0.969 -7.459 0.965 6 HD2 PHE 652 HD1 PHE 652 -1.833 -6.950 4.161 7 HE1 PHE 652 HE2 PHE 652 2.660 -8.231 2.583 8 HE2 PHE 652 HE1 PHE 652 -0.130 -7.720 5.766 9 HZ PHE 652 HZ PHE 652 2.113 -8.362 4.979 10 H ASN 653 HN ASN 653 -1.606 -3.214 -0.554 11 HA ASN 653 HA ASN 653 -4.245 -3.861 -1.732 12 HB2 ASN 653 HB2 ASN 653 -3.267 -1.043 -1.039 13 HB3 ASN 653 HB1 ASN 653 -4.801 -1.439 -1.809 14 HD21 ASN 653 HD21 ASN 653 -6.371 -2.637 -0.545 15 HD22 ASN 653 HD22 ASN 653 -6.368 -2.494 1.175 16 H THR 654 HN THR 654 -4.560 -2.921 -3.856 17 HA THR 654 HA THR 654 -4.192 -2.361 -5.968 18 HB THR 654 HB THR 654 -2.829 -0.409 -4.873 19 HG1 THR 654 HG1 THR 654 -3.329 -1.130 -7.437 20 HG21 THR 654 HG21 THR 654 -0.656 -1.584 -4.567 21 HG22 THR 654 HG22 THR 654 -0.493 -0.201 -5.647 22 HG23 THR 654 HG23 THR 654 -0.550 -1.835 -6.309 23 H SER 655 HN SER 655 -2.006 -4.496 -4.476 24 HA SER 655 HA SER 655 -0.616 -5.432 -6.820 25 HB2 SER 655 HB2 SER 655 0.109 -7.268 -5.206 26 HB3 SER 655 HB1 SER 655 0.473 -5.629 -4.662 27 HG SER 655 HG SER 655 -0.772 -5.941 -3.006 28 H ASP 656 HN ASP 656 -3.614 -6.078 -5.241 29 HA ASP 656 HA ASP 656 -4.204 -8.580 -6.548 30 HB2 ASP 656 HB2 ASP 656 -6.515 -8.235 -5.619 31 HB3 ASP 656 HB1 ASP 656 -5.258 -8.180 -4.392 32 H TYR 657 HN TYR 657 -4.423 -8.574 -8.666 33 HA TYR 657 HA TYR 657 -5.460 -6.266 -10.140 34 HB2 TYR 657 HB2 TYR 657 -4.075 -8.819 -11.092 35 HB3 TYR 657 HB1 TYR 657 -4.662 -7.551 -12.171 36 HD1 TYR 657 HD2 TYR 657 -3.814 -5.097 -11.579 37 HD2 TYR 657 HD1 TYR 657 -1.798 -8.679 -10.397 38 HE1 TYR 657 HE2 TYR 657 -1.734 -3.825 -11.280 39 HE2 TYR 657 HE1 TYR 657 0.282 -7.401 -10.093 40 HH TYR 657 HH TYR 657 0.376 -4.034 -9.972 41 H ARG 658 HN ARG 658 -7.391 -6.246 -11.101 42 HA ARG 658 HA ARG 658 -9.261 -8.424 -10.471 43 HB2 ARG 658 HB2 ARG 658 -9.857 -5.573 -11.404 44 HB3 ARG 658 HB1 ARG 658 -11.047 -6.756 -10.886 45 HG2 ARG 658 HG2 ARG 658 -10.822 -5.333 -9.021 46 HG3 ARG 658 HG1 ARG 658 -9.834 -6.729 -8.595 47 HD2 ARG 658 HD2 ARG 658 -7.819 -5.427 -9.417 48 HD3 ARG 658 HD1 ARG 658 -8.875 -4.025 -9.592 49 HE ARG 658 HE ARG 658 -8.330 -5.380 -7.001 50 HH11 ARG 658 HH11 ARG 658 -8.896 -2.414 -8.811 51 HH12 ARG 658 HH12 ARG 658 -8.568 -1.387 -7.450 52 HH21 ARG 658 HH21 ARG 658 -7.853 -4.012 -5.243 53 HH22 ARG 658 HH22 ARG 658 -7.990 -2.288 -5.436 54 H PHE 659 HN PHE 659 -8.195 -9.689 -12.140 55 HA PHE 659 HA PHE 659 -8.613 -9.032 -14.933 56 HB2 PHE 659 HB2 PHE 659 -7.648 -11.496 -15.193 57 HB3 PHE 659 HB1 PHE 659 -6.591 -10.158 -14.771 58 HD1 PHE 659 HD2 PHE 659 -8.609 -12.904 -13.157 59 HD2 PHE 659 HD1 PHE 659 -5.173 -10.367 -12.895 60 HE1 PHE 659 HE2 PHE 659 -7.870 -14.102 -11.139 61 HE2 PHE 659 HE1 PHE 659 -4.447 -11.574 -10.874 62 HZ PHE 659 HZ PHE 659 -5.794 -13.437 -9.994 63 H GLU 660 HN GLU 660 -10.937 -8.814 -14.286 64 HA GLU 660 HA GLU 660 -12.450 -11.312 -14.823 65 HB2 GLU 660 HB2 GLU 660 -13.021 -10.385 -12.633 66 HB3 GLU 660 HB1 GLU 660 -13.239 -8.778 -13.300 67 HG2 GLU 660 HG2 GLU 660 -15.383 -9.827 -12.738 68 HG3 GLU 660 HG1 GLU 660 -15.264 -9.494 -14.464 69 H CYS 661 HN CYS 661 -14.053 -11.202 -16.444 70 HA CYS 661 HA CYS 661 -13.665 -9.327 -18.559 71 HB2 CYS 661 HB2 CYS 661 -14.570 -11.663 -18.902 72 HB3 CYS 661 HB1 CYS 661 -16.099 -11.116 -18.204 73 H ILE 662 HN ILE 662 -14.820 -7.496 -19.080 74 HA ILE 662 HA ILE 662 -15.695 -5.879 -17.003 75 HB ILE 662 HB ILE 662 -16.530 -4.309 -18.812 76 HG12 ILE 662 HG12 ILE 662 -15.620 -6.546 -20.698 77 HG13 ILE 662 HG11 ILE 662 -17.288 -6.042 -20.448 78 HG21 ILE 662 HG21 ILE 662 -13.727 -5.437 -19.189 79 HG22 ILE 662 HG22 ILE 662 -14.207 -4.205 -18.021 80 HG23 ILE 662 HG23 ILE 662 -14.281 -3.855 -19.748 81 HD11 ILE 662 HD11 ILE 662 -15.096 -4.370 -21.657 82 HD12 ILE 662 HD12 ILE 662 -16.766 -3.856 -21.396 83 HD13 ILE 662 HD13 ILE 662 -16.411 -5.172 -22.512 84 H CYS 663 HN CYS 663 -17.679 -8.053 -18.962 85 HA CYS 663 HA CYS 663 -20.221 -6.979 -18.109 86 HB2 CYS 663 HB2 CYS 663 -21.226 -8.959 -19.155 87 HB3 CYS 663 HB1 CYS 663 -19.999 -8.293 -20.223 88 H GLY 664 HN GLY 664 -18.125 -9.666 -17.094 89 HA2 GLY 664 HA2 GLY 664 -18.065 -10.911 -15.139 90 HA3 GLY 664 HA1 GLY 664 -19.429 -9.991 -14.522 91 H GLU 665 HN GLU 665 -18.519 -12.601 -16.739 92 HA GLU 665 HA GLU 665 -21.071 -14.011 -16.262 93 HB2 GLU 665 HB2 GLU 665 -19.787 -13.577 -18.996 94 HB3 GLU 665 HB1 GLU 665 -21.084 -14.719 -18.693 95 HG2 GLU 665 HG2 GLU 665 -22.602 -12.873 -18.147 96 HG3 GLU 665 HG1 GLU 665 -21.296 -11.712 -18.399 97 H LEU 666 HN LEU 666 -20.772 -16.327 -17.463 98 HA LEU 666 HA LEU 666 -18.445 -17.678 -16.449 99 HB2 LEU 666 HB2 LEU 666 -20.507 -18.601 -18.496 100 HB3 LEU 666 HB1 LEU 666 -19.278 -19.629 -17.769 101 HG LEU 666 HG LEU 666 -21.610 -18.319 -16.306 102 HD11 LEU 666 HD11 LEU 666 -21.103 -21.241 -16.956 103 HD12 LEU 666 HD12 LEU 666 -22.302 -20.197 -17.725 104 HD13 LEU 666 HD13 LEU 666 -22.454 -20.598 -16.017 105 HD21 LEU 666 HD21 LEU 666 -20.878 -19.612 -14.327 106 HD22 LEU 666 HD22 LEU 666 -19.672 -18.428 -14.819 107 HD23 LEU 666 HD23 LEU 666 -19.433 -20.135 -15.202 108 H ASP 667 HN ASP 667 -16.478 -17.506 -17.353 109 HA ASP 667 HA ASP 667 -16.179 -16.457 -20.090 110 HB2 ASP 667 HB2 ASP 667 -15.113 -15.471 -17.844 111 HB3 ASP 667 HB1 ASP 667 -13.895 -16.715 -18.106 112 H GLN 668 HN GLN 668 -16.927 -19.180 -19.758 113 HA GLN 668 HA GLN 668 -14.578 -20.786 -20.515 114 HB2 GLN 668 HB2 GLN 668 -17.509 -21.543 -20.073 115 HB3 GLN 668 HB1 GLN 668 -16.288 -22.670 -20.648 116 HG2 GLN 668 HG2 GLN 668 -16.585 -23.088 -18.329 117 HG3 GLN 668 HG1 GLN 668 -15.018 -22.305 -18.512 118 HE21 GLN 668 HE21 GLN 668 -14.715 -20.242 -17.610 119 HE22 GLN 668 HE22 GLN 668 -15.842 -19.537 -16.504 120 H ILE 669 HN ILE 669 -14.423 -21.791 -22.579 121 HA ILE 669 HA ILE 669 -15.195 -20.131 -24.777 122 HB ILE 669 HB ILE 669 -14.018 -22.954 -24.867 123 HG12 ILE 669 HG12 ILE 669 -12.577 -20.267 -25.031 124 HG13 ILE 669 HG11 ILE 669 -12.585 -21.317 -23.620 125 HG21 ILE 669 HG21 ILE 669 -15.031 -22.329 -27.028 126 HG22 ILE 669 HG22 ILE 669 -13.275 -22.388 -27.164 127 HG23 ILE 669 HG23 ILE 669 -14.097 -20.830 -27.051 128 HD11 ILE 669 HD11 ILE 669 -11.373 -21.972 -26.309 129 HD12 ILE 669 HD12 ILE 669 -11.381 -23.029 -24.893 130 HD13 ILE 669 HD13 ILE 669 -10.508 -21.499 -24.846 131 H ASP 670 HN ASP 670 -16.243 -23.287 -23.609 132 HA ASP 670 HA ASP 670 -17.978 -24.212 -25.519 133 HB2 ASP 670 HB2 ASP 670 -17.420 -25.542 -23.560 134 HB3 ASP 670 HB1 ASP 670 -18.168 -24.374 -22.479 135 H ARG 671 HN ARG 671 -18.676 -21.891 -22.934 136 HA ARG 671 HA ARG 671 -21.449 -21.561 -23.717 137 HB2 ARG 671 HB2 ARG 671 -19.759 -20.270 -21.532 138 HB3 ARG 671 HB1 ARG 671 -21.454 -19.871 -21.809 139 HG2 ARG 671 HG2 ARG 671 -20.340 -22.580 -20.994 140 HG3 ARG 671 HG1 ARG 671 -21.277 -21.475 -19.982 141 HD2 ARG 671 HD2 ARG 671 -23.202 -21.740 -21.566 142 HD3 ARG 671 HD1 ARG 671 -22.258 -22.935 -22.466 143 HE ARG 671 HE ARG 671 -22.777 -23.400 -19.607 144 HH11 ARG 671 HH11 ARG 671 -23.387 -24.330 -22.931 145 HH12 ARG 671 HH12 ARG 671 -24.244 -25.772 -22.498 146 HH21 ARG 671 HH21 ARG 671 -23.920 -25.282 -19.044 147 HH22 ARG 671 HH22 ARG 671 -24.555 -26.307 -20.289 148 H LYS 672 HN LYS 672 -18.601 -19.414 -23.485 149 HA LYS 672 HA LYS 672 -19.679 -17.701 -25.636 150 HB2 LYS 672 HB2 LYS 672 -18.452 -16.677 -23.039 151 HB3 LYS 672 HB1 LYS 672 -19.048 -15.689 -24.371 152 HG2 LYS 672 HG2 LYS 672 -20.768 -17.513 -22.655 153 HG3 LYS 672 HG1 LYS 672 -20.560 -15.786 -22.349 154 HD2 LYS 672 HD2 LYS 672 -21.640 -16.840 -24.994 155 HD3 LYS 672 HD1 LYS 672 -22.695 -16.567 -23.604 156 HE2 LYS 672 HE2 LYS 672 -20.944 -14.438 -24.890 157 HE3 LYS 672 HE1 LYS 672 -22.670 -14.653 -25.202 158 HZ1 LYS 672 HZ1 LYS 672 -23.107 -14.226 -22.867 159 HZ2 LYS 672 HZ2 LYS 672 -22.282 -12.933 -23.566 160 HZ3 LYS 672 HZ3 LYS 672 -21.458 -14.010 -22.562 161 HA PRO 673 HA PRO 673 -15.325 -18.109 -27.134 162 HB2 PRO 673 HB2 PRO 673 -16.316 -15.659 -28.627 163 HB3 PRO 673 HB1 PRO 673 -15.365 -17.025 -29.236 164 HG2 PRO 673 HG2 PRO 673 -17.972 -16.894 -29.763 165 HG3 PRO 673 HG1 PRO 673 -17.236 -18.452 -29.328 166 HD2 PRO 673 HD2 PRO 673 -18.922 -16.607 -27.642 167 HD3 PRO 673 HD1 PRO 673 -18.911 -18.383 -27.688 168 H ARG 674 HN ARG 674 -13.555 -17.219 -26.119 169 HA ARG 674 HA ARG 674 -13.770 -14.573 -24.883 170 HB2 ARG 674 HB2 ARG 674 -13.006 -15.543 -22.671 171 HB3 ARG 674 HB1 ARG 674 -14.648 -15.914 -23.151 172 HG2 ARG 674 HG2 ARG 674 -13.871 -17.916 -22.227 173 HG3 ARG 674 HG1 ARG 674 -13.747 -18.192 -23.962 174 HD2 ARG 674 HD2 ARG 674 -11.384 -17.950 -23.926 175 HD3 ARG 674 HD1 ARG 674 -11.401 -17.218 -22.324 176 HE ARG 674 HE ARG 674 -12.400 -19.751 -21.960 177 HH11 ARG 674 HH11 ARG 674 -9.375 -18.449 -23.247 178 HH12 ARG 674 HH12 ARG 674 -8.433 -19.784 -22.668 179 HH21 ARG 674 HH21 ARG 674 -11.117 -21.493 -21.265 180 HH22 ARG 674 HH22 ARG 674 -9.411 -21.496 -21.569 181 H VAL 675 HN VAL 675 -11.901 -13.508 -24.400 182 HA VAL 675 HA VAL 675 -9.418 -14.576 -25.591 183 HB VAL 675 HB VAL 675 -8.828 -12.225 -26.195 184 HG11 VAL 675 HG11 VAL 675 -9.840 -13.676 -27.875 185 HG12 VAL 675 HG12 VAL 675 -10.398 -12.019 -28.105 186 HG13 VAL 675 HG13 VAL 675 -11.458 -13.210 -27.348 187 HG21 VAL 675 HG21 VAL 675 -10.187 -10.970 -24.555 188 HG22 VAL 675 HG22 VAL 675 -11.667 -11.516 -25.345 189 HG23 VAL 675 HG23 VAL 675 -10.554 -10.445 -26.202 190 H GLN 676 HN GLN 676 -7.902 -14.947 -24.175 191 HA GLN 676 HA GLN 676 -7.707 -13.535 -21.616 192 HB2 GLN 676 HB2 GLN 676 -6.450 -16.061 -22.751 193 HB3 GLN 676 HB1 GLN 676 -5.683 -15.251 -21.385 194 HG2 GLN 676 HG2 GLN 676 -7.204 -17.100 -20.705 195 HG3 GLN 676 HG1 GLN 676 -7.645 -15.542 -20.010 196 HE21 GLN 676 HE21 GLN 676 -9.801 -15.733 -19.758 197 HE22 GLN 676 HE22 GLN 676 -10.926 -16.082 -21.019 198 H CYS 677 HN CYS 677 -7.121 -11.525 -22.258 199 HA CYS 677 HA CYS 677 -5.291 -10.782 -24.225 200 HB2 CYS 677 HB2 CYS 677 -6.919 -9.227 -23.227 201 HB3 CYS 677 HB1 CYS 677 -6.044 -9.252 -21.707 202 H LEU 678 HN LEU 678 -3.425 -11.807 -24.187 203 HA LEU 678 HA LEU 678 -1.924 -12.663 -22.011 204 HB2 LEU 678 HB2 LEU 678 -0.125 -13.120 -23.691 205 HB3 LEU 678 HB1 LEU 678 -1.683 -13.809 -24.085 206 HG LEU 678 HG LEU 678 -0.967 -11.160 -25.364 207 HD11 LEU 678 HD11 LEU 678 0.146 -13.808 -26.355 208 HD12 LEU 678 HD12 LEU 678 1.084 -12.478 -25.672 209 HD13 LEU 678 HD13 LEU 678 0.240 -12.259 -27.203 210 HD21 LEU 678 HD21 LEU 678 -3.189 -12.028 -25.850 211 HD22 LEU 678 HD22 LEU 678 -2.524 -13.577 -26.365 212 HD23 LEU 678 HD23 LEU 678 -2.210 -12.118 -27.311 213 H LYS 679 HN LYS 679 -1.731 -9.665 -23.847 214 HA LYS 679 HA LYS 679 0.861 -8.867 -23.169 215 HB2 LYS 679 HB2 LYS 679 -0.457 -7.921 -25.041 216 HB3 LYS 679 HB1 LYS 679 -1.510 -7.103 -23.893 217 HG2 LYS 679 HG2 LYS 679 0.321 -5.679 -23.142 218 HG3 LYS 679 HG1 LYS 679 1.479 -6.582 -24.123 219 HD2 LYS 679 HD2 LYS 679 -0.839 -4.929 -25.209 220 HD3 LYS 679 HD1 LYS 679 0.846 -4.401 -25.149 221 HE2 LYS 679 HE2 LYS 679 -0.234 -6.756 -26.743 222 HE3 LYS 679 HE1 LYS 679 0.254 -5.199 -27.402 223 HZ1 LYS 679 HZ1 LYS 679 1.981 -6.804 -27.722 224 HZ2 LYS 679 HZ2 LYS 679 2.022 -7.180 -26.077 225 HZ3 LYS 679 HZ3 LYS 679 2.514 -5.654 -26.608 226 H CYS 680 HN CYS 680 -2.155 -8.510 -21.294 227 HA CYS 680 HA CYS 680 -0.590 -7.118 -19.166 228 HB2 CYS 680 HB2 CYS 680 -2.432 -5.631 -18.662 229 HB3 CYS 680 HB1 CYS 680 -2.144 -5.526 -20.396 230 H HIS 681 HN HIS 681 -2.008 -9.959 -19.811 231 HA HIS 681 HA HIS 681 -3.150 -11.620 -18.748 232 HB2 HIS 681 HB2 HIS 681 -1.952 -10.300 -16.275 233 HB3 HIS 681 HB1 HIS 681 -2.746 -11.871 -16.265 234 HD1 HIS 681 HD1 HIS 681 0.404 -10.148 -17.325 235 HD2 HIS 681 HD2 HIS 681 -1.193 -13.988 -17.308 236 HE1 HIS 681 HE1 HIS 681 2.323 -11.681 -17.846 237 HE2 HIS 681 HE2 HIS 681 1.315 -13.980 -17.929 238 H LEU 682 HN LEU 682 -5.111 -10.545 -19.538 239 HA LEU 682 HA LEU 682 -6.938 -9.731 -17.359 240 HB2 LEU 682 HB2 LEU 682 -5.906 -7.716 -18.648 241 HB3 LEU 682 HB1 LEU 682 -6.849 -8.238 -20.024 242 HG LEU 682 HG LEU 682 -7.874 -6.332 -18.810 243 HD11 LEU 682 HD11 LEU 682 -10.160 -7.132 -18.632 244 HD12 LEU 682 HD12 LEU 682 -9.597 -8.808 -18.612 245 HD13 LEU 682 HD13 LEU 682 -9.362 -7.811 -20.050 246 HD21 LEU 682 HD21 LEU 682 -8.830 -6.593 -16.571 247 HD22 LEU 682 HD22 LEU 682 -7.083 -6.821 -16.555 248 HD23 LEU 682 HD23 LEU 682 -8.154 -8.221 -16.462 249 H TRP 683 HN TRP 683 -8.589 -11.125 -17.441 250 HA TRP 683 HA TRP 683 -9.011 -12.770 -19.829 251 HB2 TRP 683 HB2 TRP 683 -10.511 -13.153 -17.215 252 HB3 TRP 683 HB1 TRP 683 -10.092 -14.351 -18.432 253 HD1 TRP 683 HD1 TRP 683 -9.498 -14.300 -15.159 254 HE1 TRP 683 HE1 TRP 683 -7.146 -14.895 -14.370 255 HE3 TRP 683 HE3 TRP 683 -6.880 -13.464 -19.504 256 HZ2 TRP 683 HZ2 TRP 683 -4.550 -15.024 -15.392 257 HZ3 TRP 683 HZ3 TRP 683 -4.457 -13.851 -19.495 258 HH2 TRP 683 HH2 TRP 683 -3.309 -14.616 -17.477 259 H GLN 684 HN GLN 684 -10.538 -12.174 -21.239 260 HA GLN 684 HA GLN 684 -13.043 -10.943 -20.342 261 HB2 GLN 684 HB2 GLN 684 -11.064 -9.335 -21.306 262 HB3 GLN 684 HB1 GLN 684 -11.784 -9.799 -22.835 263 HG2 GLN 684 HG2 GLN 684 -13.518 -8.365 -22.553 264 HG3 GLN 684 HG1 GLN 684 -13.860 -8.978 -20.942 265 HE21 GLN 684 HE21 GLN 684 -12.658 -8.081 -19.161 266 HE22 GLN 684 HE22 GLN 684 -12.026 -6.490 -19.247 267 H HIS 685 HN HIS 685 -14.619 -10.856 -22.310 268 HA HIS 685 HA HIS 685 -14.486 -13.367 -23.806 269 HB2 HIS 685 HB2 HIS 685 -16.714 -11.343 -23.449 270 HB3 HIS 685 HB1 HIS 685 -16.832 -12.663 -24.600 271 HD2 HIS 685 HD2 HIS 685 -16.176 -15.258 -23.017 272 HE1 HIS 685 HE1 HIS 685 -18.601 -13.710 -19.931 273 HE2 HIS 685 HE2 HIS 685 -17.692 -15.813 -20.993 274 H ALA 686 HN ALA 686 -14.531 -13.481 -26.010 275 HA ALA 686 HA ALA 686 -13.144 -11.578 -27.541 276 HB1 ALA 686 HB1 ALA 686 -13.695 -13.040 -29.449 277 HB2 ALA 686 HB2 ALA 686 -14.893 -13.888 -28.467 278 HB3 ALA 686 HB3 ALA 686 -13.181 -13.992 -28.055 279 H LYS 687 HN LYS 687 -16.592 -12.450 -27.398 280 HA LYS 687 HA LYS 687 -17.507 -10.535 -29.288 281 HB2 LYS 687 HB2 LYS 687 -18.815 -12.407 -27.328 282 HB3 LYS 687 HB1 LYS 687 -19.789 -11.085 -27.945 283 HG2 LYS 687 HG2 LYS 687 -20.147 -13.086 -29.282 284 HG3 LYS 687 HG1 LYS 687 -19.400 -11.809 -30.246 285 HD2 LYS 687 HD2 LYS 687 -17.157 -12.968 -29.852 286 HD3 LYS 687 HD1 LYS 687 -18.059 -14.312 -29.138 287 HE2 LYS 687 HE2 LYS 687 -17.523 -14.762 -31.497 288 HE3 LYS 687 HE1 LYS 687 -19.269 -14.614 -31.285 289 HZ1 LYS 687 HZ1 LYS 687 -19.162 -12.363 -32.131 290 HZ2 LYS 687 HZ2 LYS 687 -18.466 -13.425 -33.247 291 HZ3 LYS 687 HZ3 LYS 687 -17.477 -12.450 -32.277 292 H CYS 688 HN CYS 688 -16.750 -10.289 -25.910 293 HA CYS 688 HA CYS 688 -18.205 -7.841 -25.422 294 HB2 CYS 688 HB2 CYS 688 -16.101 -9.303 -23.799 295 HB3 CYS 688 HB1 CYS 688 -16.795 -7.770 -23.284 296 H VAL 689 HN VAL 689 -15.177 -8.642 -26.885 297 HA VAL 689 HA VAL 689 -14.227 -5.829 -26.735 298 HB VAL 689 HB VAL 689 -11.958 -6.574 -26.976 299 HG11 VAL 689 HG11 VAL 689 -12.835 -6.735 -24.677 300 HG12 VAL 689 HG12 VAL 689 -11.608 -7.969 -24.956 301 HG13 VAL 689 HG13 VAL 689 -13.317 -8.409 -24.958 302 HG21 VAL 689 HG21 VAL 689 -12.255 -8.390 -28.623 303 HG22 VAL 689 HG22 VAL 689 -12.966 -9.423 -27.385 304 HG23 VAL 689 HG23 VAL 689 -11.269 -8.949 -27.268 305 H ASN 690 HN ASN 690 -16.045 -7.540 -28.661 306 HA ASN 690 HA ASN 690 -16.566 -7.846 -30.803 307 HB2 ASN 690 HB2 ASN 690 -16.398 -5.294 -30.747 308 HB3 ASN 690 HB1 ASN 690 -14.803 -5.454 -31.470 309 HD21 ASN 690 HD21 ASN 690 -17.250 -4.200 -32.464 310 HD22 ASN 690 HD22 ASN 690 -17.582 -4.928 -33.989 311 H TYR 691 HN TYR 691 -15.484 -9.818 -30.775 312 HA TYR 691 HA TYR 691 -13.467 -10.303 -32.762 313 HB2 TYR 691 HB2 TYR 691 -12.172 -9.458 -30.675 314 HB3 TYR 691 HB1 TYR 691 -12.714 -10.905 -29.846 315 HD1 TYR 691 HD2 TYR 691 -10.678 -9.729 -32.779 316 HD2 TYR 691 HD1 TYR 691 -11.434 -12.913 -30.032 317 HE1 TYR 691 HE2 TYR 691 -8.661 -10.900 -33.571 318 HE2 TYR 691 HE1 TYR 691 -9.425 -14.071 -30.813 319 HH TYR 691 HH TYR 691 -7.046 -12.622 -32.676 320 H ASP 692 HN ASP 692 -12.867 -12.911 -32.332 321 HA ASP 692 HA ASP 692 -15.177 -14.374 -31.279 322 HB2 ASP 692 HB2 ASP 692 -15.552 -15.569 -33.468 323 HB3 ASP 692 HB1 ASP 692 -15.993 -13.862 -33.488 324 H GLU 693 HN GLU 693 -14.880 -16.822 -31.956 325 HA GLU 693 HA GLU 693 -12.371 -17.567 -30.736 326 HB2 GLU 693 HB2 GLU 693 -13.355 -19.783 -30.465 327 HB3 GLU 693 HB1 GLU 693 -14.439 -18.534 -29.884 328 HG2 GLU 693 HG2 GLU 693 -15.944 -19.890 -30.979 329 HG3 GLU 693 HG1 GLU 693 -15.527 -18.770 -32.285 330 H LYS 694 HN LYS 694 -13.656 -17.498 -33.931 331 HA LYS 694 HA LYS 694 -12.404 -19.721 -35.154 332 HB2 LYS 694 HB2 LYS 694 -13.172 -17.066 -36.471 333 HB3 LYS 694 HB1 LYS 694 -12.714 -18.516 -37.345 334 HG2 LYS 694 HG2 LYS 694 -15.096 -18.293 -37.473 335 HG3 LYS 694 HG1 LYS 694 -14.745 -19.668 -36.423 336 HD2 LYS 694 HD2 LYS 694 -15.245 -18.326 -34.440 337 HD3 LYS 694 HD1 LYS 694 -15.453 -16.875 -35.421 338 HE2 LYS 694 HE2 LYS 694 -17.197 -19.341 -35.725 339 HE3 LYS 694 HE1 LYS 694 -17.591 -17.998 -34.648 340 HZ1 LYS 694 HZ1 LYS 694 -17.234 -17.827 -37.590 341 HZ2 LYS 694 HZ2 LYS 694 -17.544 -16.515 -36.568 342 HZ3 LYS 694 HZ3 LYS 694 -18.695 -17.739 -36.745 343 H ASN 695 HN ASN 695 -11.410 -16.308 -34.989 344 HA ASN 695 HA ASN 695 -8.705 -16.893 -35.911 345 HB2 ASN 695 HB2 ASN 695 -8.411 -14.331 -35.526 346 HB3 ASN 695 HB1 ASN 695 -9.424 -14.880 -36.846 347 HD21 ASN 695 HD21 ASN 695 -10.564 -14.863 -33.485 348 HD22 ASN 695 HD22 ASN 695 -11.699 -13.592 -33.726 349 H LEU 696 HN LEU 696 -10.258 -16.927 -32.911 350 HA LEU 696 HA LEU 696 -8.229 -15.999 -31.145 351 HB2 LEU 696 HB2 LEU 696 -10.529 -16.325 -30.414 352 HB3 LEU 696 HB1 LEU 696 -10.450 -18.028 -30.797 353 HG LEU 696 HG LEU 696 -8.762 -18.300 -28.925 354 HD11 LEU 696 HD11 LEU 696 -9.583 -15.469 -28.220 355 HD12 LEU 696 HD12 LEU 696 -7.981 -15.999 -28.741 356 HD13 LEU 696 HD13 LEU 696 -8.635 -16.559 -27.207 357 HD21 LEU 696 HD21 LEU 696 -11.531 -17.309 -28.153 358 HD22 LEU 696 HD22 LEU 696 -10.470 -18.303 -27.151 359 HD23 LEU 696 HD23 LEU 696 -11.113 -18.950 -28.659 360 H LYS 697 HN LYS 697 -8.763 -19.140 -32.755 361 HA LYS 697 HA LYS 697 -6.738 -20.586 -31.362 362 HB2 LYS 697 HB2 LYS 697 -8.061 -21.057 -34.036 363 HB3 LYS 697 HB1 LYS 697 -6.712 -22.063 -33.540 364 HG2 LYS 697 HG2 LYS 697 -8.446 -23.372 -32.800 365 HG3 LYS 697 HG1 LYS 697 -8.156 -22.418 -31.348 366 HD2 LYS 697 HD2 LYS 697 -10.530 -22.513 -31.698 367 HD3 LYS 697 HD1 LYS 697 -10.008 -20.870 -32.088 368 HE2 LYS 697 HE2 LYS 697 -10.087 -21.372 -34.482 369 HE3 LYS 697 HE1 LYS 697 -10.486 -23.060 -34.149 370 HZ1 LYS 697 HZ1 LYS 697 -12.427 -21.788 -34.742 371 HZ2 LYS 697 HZ2 LYS 697 -12.156 -20.714 -33.472 372 HZ3 LYS 697 HZ3 LYS 697 -12.550 -22.321 -33.144 373 H ILE 698 HN ILE 698 -6.365 -18.164 -33.860 374 HA ILE 698 HA ILE 698 -3.565 -19.037 -34.332 375 HB ILE 698 HB ILE 698 -3.894 -18.099 -36.749 376 HG12 ILE 698 HG12 ILE 698 -6.797 -18.679 -36.006 377 HG13 ILE 698 HG11 ILE 698 -6.135 -17.101 -36.414 378 HG21 ILE 698 HG21 ILE 698 -5.147 -20.755 -35.969 379 HG22 ILE 698 HG22 ILE 698 -3.431 -20.462 -36.249 380 HG23 ILE 698 HG23 ILE 698 -4.574 -20.320 -37.585 381 HD11 ILE 698 HD11 ILE 698 -5.708 -17.876 -38.700 382 HD12 ILE 698 HD12 ILE 698 -7.405 -18.033 -38.255 383 HD13 ILE 698 HD13 ILE 698 -6.373 -19.459 -38.286 384 H LYS 699 HN LYS 699 -5.692 -16.189 -34.827 385 HA LYS 699 HA LYS 699 -3.441 -14.387 -35.004 386 HB2 LYS 699 HB2 LYS 699 -6.453 -14.040 -35.169 387 HB3 LYS 699 HB1 LYS 699 -5.349 -12.670 -35.273 388 HG2 LYS 699 HG2 LYS 699 -4.450 -13.361 -37.325 389 HG3 LYS 699 HG1 LYS 699 -4.978 -15.022 -37.111 390 HD2 LYS 699 HD2 LYS 699 -6.299 -13.860 -38.849 391 HD3 LYS 699 HD1 LYS 699 -7.299 -14.390 -37.493 392 HE2 LYS 699 HE2 LYS 699 -7.315 -12.100 -36.583 393 HE3 LYS 699 HE1 LYS 699 -6.264 -11.557 -37.892 394 HZ1 LYS 699 HZ1 LYS 699 -7.990 -12.074 -39.465 395 HZ2 LYS 699 HZ2 LYS 699 -8.588 -11.030 -38.277 396 HZ3 LYS 699 HZ3 LYS 699 -8.986 -12.670 -38.235 397 HA PRO 700 HA PRO 700 -3.150 -12.863 -30.776 398 HB2 PRO 700 HB2 PRO 700 -2.735 -10.148 -31.269 399 HB3 PRO 700 HB1 PRO 700 -1.483 -11.391 -31.408 400 HG2 PRO 700 HG2 PRO 700 -3.253 -10.235 -33.582 401 HG3 PRO 700 HG1 PRO 700 -1.486 -10.463 -33.588 402 HD2 PRO 700 HD2 PRO 700 -3.050 -12.203 -34.837 403 HD3 PRO 700 HD1 PRO 700 -1.691 -12.811 -33.858 404 H PHE 701 HN PHE 701 -4.259 -11.662 -29.169 405 HA PHE 701 HA PHE 701 -6.831 -10.429 -29.813 406 HB2 PHE 701 HB2 PHE 701 -7.966 -12.032 -28.153 407 HB3 PHE 701 HB1 PHE 701 -7.566 -12.682 -29.732 408 HD1 PHE 701 HD1 PHE 701 -5.709 -14.324 -29.984 409 HD2 PHE 701 HD2 PHE 701 -6.913 -12.922 -26.121 410 HE1 PHE 701 HE1 PHE 701 -4.535 -16.206 -28.926 411 HE2 PHE 701 HE2 PHE 701 -5.736 -14.821 -25.087 412 HZ PHE 701 HZ PHE 701 -4.545 -16.455 -26.482 413 H TYR 702 HN TYR 702 -7.325 -8.815 -28.413 414 HA TYR 702 HA TYR 702 -5.924 -8.602 -25.825 415 HB2 TYR 702 HB2 TYR 702 -5.851 -6.410 -27.958 416 HB3 TYR 702 HB1 TYR 702 -5.191 -6.274 -26.329 417 HD1 TYR 702 HD1 TYR 702 -3.394 -8.154 -25.689 418 HD2 TYR 702 HD2 TYR 702 -4.362 -7.042 -29.707 419 HE1 TYR 702 HE1 TYR 702 -1.279 -9.134 -26.475 420 HE2 TYR 702 HE2 TYR 702 -2.237 -8.014 -30.480 421 HH TYR 702 HH TYR 702 -0.058 -8.611 -29.641 422 H CYS 703 HN CYS 703 -6.788 -7.005 -24.416 423 HA CYS 703 HA CYS 703 -9.678 -6.698 -24.524 424 HB2 CYS 703 HB2 CYS 703 -9.515 -6.092 -22.201 425 HB3 CYS 703 HB1 CYS 703 -8.344 -7.387 -22.440 426 HA PRO 704 HA PRO 704 -9.989 -2.594 -26.150 427 HB2 PRO 704 HB2 PRO 704 -11.744 -1.740 -23.858 428 HB3 PRO 704 HB1 PRO 704 -12.074 -1.715 -25.596 429 HG2 PRO 704 HG2 PRO 704 -13.199 -3.571 -24.058 430 HG3 PRO 704 HG1 PRO 704 -12.570 -4.018 -25.662 431 HD2 PRO 704 HD2 PRO 704 -11.298 -4.418 -22.945 432 HD3 PRO 704 HD1 PRO 704 -11.432 -5.560 -24.298 433 H HIS 705 HN HIS 705 -9.149 -2.671 -22.721 434 HA HIS 705 HA HIS 705 -8.325 0.031 -22.459 435 HB2 HIS 705 HB2 HIS 705 -8.788 -1.489 -20.509 436 HB3 HIS 705 HB1 HIS 705 -7.286 -2.343 -20.856 437 HD1 HIS 705 HD1 HIS 705 -5.465 -1.575 -19.313 438 HD2 HIS 705 HD2 HIS 705 -8.092 1.507 -20.233 439 HE1 HIS 705 HE1 HIS 705 -4.603 0.429 -18.078 440 HE2 HIS 705 HE2 HIS 705 -6.279 2.249 -18.552 441 H CYS 706 HN CYS 706 -6.612 -2.892 -23.520 442 HA CYS 706 HA CYS 706 -4.022 -1.676 -23.764 443 HB2 CYS 706 HB2 CYS 706 -5.181 -4.242 -24.876 444 HB3 CYS 706 HB1 CYS 706 -3.550 -3.712 -25.276 445 H LEU 707 HN LEU 707 -6.828 -1.942 -25.857 446 HA LEU 707 HA LEU 707 -5.597 -1.165 -28.307 447 HB2 LEU 707 HB2 LEU 707 -8.494 -0.795 -27.433 448 HB3 LEU 707 HB1 LEU 707 -7.899 -0.699 -29.088 449 HG LEU 707 HG LEU 707 -7.915 -3.207 -27.347 450 HD11 LEU 707 HD11 LEU 707 -9.625 -4.060 -28.884 451 HD12 LEU 707 HD12 LEU 707 -9.641 -2.518 -29.745 452 HD13 LEU 707 HD13 LEU 707 -10.165 -2.600 -28.060 453 HD21 LEU 707 HD21 LEU 707 -7.198 -4.430 -29.365 454 HD22 LEU 707 HD22 LEU 707 -5.994 -3.249 -28.860 455 HD23 LEU 707 HD23 LEU 707 -7.037 -2.903 -30.243 456 H VAL 708 HN VAL 708 -7.230 0.634 -25.709 457 HA VAL 708 HA VAL 708 -6.804 3.239 -26.875 458 HB VAL 708 HB VAL 708 -7.655 2.539 -24.025 459 HG11 VAL 708 HG11 VAL 708 -7.935 5.155 -25.570 460 HG12 VAL 708 HG12 VAL 708 -6.863 4.870 -24.198 461 HG13 VAL 708 HG13 VAL 708 -8.611 4.840 -23.967 462 HG21 VAL 708 HG21 VAL 708 -9.981 2.893 -24.808 463 HG22 VAL 708 HG22 VAL 708 -9.213 1.567 -25.684 464 HG23 VAL 708 HG23 VAL 708 -9.396 3.145 -26.456 465 H ALA 709 HN ALA 709 -5.015 1.127 -24.753 466 HA ALA 709 HA ALA 709 -3.153 3.008 -23.687 467 HB1 ALA 709 HB1 ALA 709 -3.453 0.770 -22.688 468 HB2 ALA 709 HB2 ALA 709 -1.769 1.058 -23.119 469 HB3 ALA 709 HB3 ALA 709 -2.774 0.023 -24.137 470 H MET 710 HN MET 710 -3.286 1.068 -26.654 471 HA MET 710 HA MET 710 -0.699 1.805 -27.645 472 HB2 MET 710 HB2 MET 710 -3.131 0.649 -29.070 473 HB3 MET 710 HB1 MET 710 -1.585 0.934 -29.865 474 HG2 MET 710 HG2 MET 710 -0.520 -0.613 -28.206 475 HG3 MET 710 HG1 MET 710 -2.130 -0.983 -27.591 476 HE1 MET 710 HE1 MET 710 -3.872 -1.019 -30.315 477 HE2 MET 710 HE2 MET 710 -4.018 -2.249 -29.058 478 HE3 MET 710 HE3 MET 710 -3.770 -2.729 -30.736 479 H GLU 711 HN GLU 711 -3.837 3.332 -27.684 480 HA GLU 711 HA GLU 711 -3.333 5.176 -29.811 481 HB2 GLU 711 HB2 GLU 711 -5.321 5.305 -27.497 482 HB3 GLU 711 HB1 GLU 711 -5.286 6.454 -28.838 483 HG2 GLU 711 HG2 GLU 711 -5.656 4.501 -30.404 484 HG3 GLU 711 HG1 GLU 711 -5.889 3.480 -28.986 485 HA PRO 712 HA PRO 712 -0.484 7.903 -27.717 486 HB2 PRO 712 HB2 PRO 712 -0.710 10.160 -29.246 487 HB3 PRO 712 HB1 PRO 712 0.066 8.684 -29.840 488 HG2 PRO 712 HG2 PRO 712 -2.758 9.655 -30.303 489 HG3 PRO 712 HG1 PRO 712 -1.593 9.016 -31.484 490 HD2 PRO 712 HD2 PRO 712 -3.561 7.471 -30.436 491 HD3 PRO 712 HD1 PRO 712 -1.969 6.798 -30.848 492 H VAL 713 HN VAL 713 -0.901 8.690 -25.744 493 HA VAL 713 HA VAL 713 -3.263 10.129 -25.002 494 HB VAL 713 HB VAL 713 -2.183 10.446 -22.789 495 HG11 VAL 713 HG11 VAL 713 -2.006 8.061 -22.149 496 HG12 VAL 713 HG12 VAL 713 -1.900 7.605 -23.850 497 HG13 VAL 713 HG13 VAL 713 -3.378 8.341 -23.224 498 HG21 VAL 713 HG21 VAL 713 0.280 9.131 -24.019 499 HG22 VAL 713 HG22 VAL 713 0.072 9.514 -22.309 500 HG23 VAL 713 HG23 VAL 713 0.154 10.813 -23.497 501 H SER 714 HN SER 714 -3.448 12.324 -24.449 502 HA SER 714 HA SER 714 -1.413 14.276 -25.020 503 HB2 SER 714 HB2 SER 714 -2.709 15.284 -26.980 504 HB3 SER 714 HB1 SER 714 -1.930 13.742 -27.330 505 HG SER 714 HG SER 714 -3.832 12.770 -27.443 506 H THR 715 HN THR 715 -2.159 16.455 -24.572 507 HA THR 715 HA THR 715 -4.529 16.547 -22.819 508 HB THR 715 HB THR 715 -2.339 18.656 -23.085 509 HG1 THR 715 HG1 THR 715 -1.190 17.111 -22.184 510 HG21 THR 715 HG21 THR 715 -3.124 19.390 -20.854 511 HG22 THR 715 HG22 THR 715 -4.386 18.159 -20.876 512 HG23 THR 715 HG23 THR 715 -4.433 19.486 -22.039 513 H ARG 716 HN ARG 716 -6.288 17.693 -23.383 514 HA ARG 716 HA ARG 716 -6.273 19.354 -25.828 515 HB2 ARG 716 HB2 ARG 716 -8.536 17.745 -24.562 516 HB3 ARG 716 HB1 ARG 716 -8.740 18.826 -25.945 517 HG2 ARG 716 HG2 ARG 716 -6.893 16.420 -25.887 518 HG3 ARG 716 HG1 ARG 716 -8.517 16.421 -26.592 519 HD2 ARG 716 HD2 ARG 716 -7.852 18.008 -28.279 520 HD3 ARG 716 HD1 ARG 716 -6.305 18.312 -27.479 521 HE ARG 716 HE ARG 716 -7.059 15.845 -28.933 522 HH11 ARG 716 HH11 ARG 716 -4.544 17.863 -27.494 523 HH12 ARG 716 HH12 ARG 716 -3.255 17.024 -28.297 524 HH21 ARG 716 HH21 ARG 716 -5.340 14.771 -29.984 525 HH22 ARG 716 HH22 ARG 716 -3.704 15.271 -29.701 Start of MODEL 8 1 H PHE 652 HT1 PHE 652 -14.163 -11.575 -2.572 2 HA PHE 652 HA PHE 652 -13.390 -9.828 -1.129 3 HB2 PHE 652 HB2 PHE 652 -11.243 -10.935 -3.007 4 HB3 PHE 652 HB1 PHE 652 -10.918 -10.225 -1.427 5 HD1 PHE 652 HD2 PHE 652 -12.316 -13.167 -3.184 6 HD2 PHE 652 HD1 PHE 652 -11.444 -11.446 0.639 7 HE1 PHE 652 HE2 PHE 652 -12.661 -15.358 -2.109 8 HE2 PHE 652 HE1 PHE 652 -11.798 -13.640 1.699 9 HZ PHE 652 HZ PHE 652 -12.400 -15.594 0.330 10 H ASN 653 HN ASN 653 -13.076 -7.654 -0.955 11 HA ASN 653 HA ASN 653 -12.935 -5.912 -3.219 12 HB2 ASN 653 HB2 ASN 653 -12.692 -5.434 -0.230 13 HB3 ASN 653 HB1 ASN 653 -12.511 -4.126 -1.392 14 HD21 ASN 653 HD21 ASN 653 -14.319 -3.555 -2.688 15 HD22 ASN 653 HD22 ASN 653 -15.933 -3.910 -2.175 16 H THR 654 HN THR 654 -11.156 -6.508 -4.380 17 HA THR 654 HA THR 654 -8.513 -5.605 -3.490 18 HB THR 654 HB THR 654 -7.532 -7.783 -4.503 19 HG1 THR 654 HG1 THR 654 -10.272 -8.453 -4.328 20 HG21 THR 654 HG21 THR 654 -7.474 -7.390 -2.048 21 HG22 THR 654 HG22 THR 654 -7.731 -9.090 -2.435 22 HG23 THR 654 HG23 THR 654 -9.088 -8.099 -1.905 23 H SER 655 HN SER 655 -7.391 -4.696 -5.147 24 HA SER 655 HA SER 655 -8.608 -4.577 -7.836 25 HB2 SER 655 HB2 SER 655 -6.458 -2.791 -6.603 26 HB3 SER 655 HB1 SER 655 -7.293 -2.519 -8.134 27 HG SER 655 HG SER 655 -8.835 -2.823 -5.815 28 H ASP 656 HN ASP 656 -5.832 -5.773 -6.118 29 HA ASP 656 HA ASP 656 -3.958 -5.852 -8.260 30 HB2 ASP 656 HB2 ASP 656 -2.578 -7.239 -6.772 31 HB3 ASP 656 HB1 ASP 656 -3.228 -5.855 -5.906 32 H TYR 657 HN TYR 657 -3.881 -7.202 -9.932 33 HA TYR 657 HA TYR 657 -4.201 -8.907 -11.371 34 HB2 TYR 657 HB2 TYR 657 -4.104 -10.623 -8.853 35 HB3 TYR 657 HB1 TYR 657 -3.824 -11.189 -10.495 36 HD1 TYR 657 HD1 TYR 657 -1.858 -10.004 -11.807 37 HD2 TYR 657 HD2 TYR 657 -2.233 -9.960 -7.548 38 HE1 TYR 657 HE1 TYR 657 0.538 -9.498 -11.604 39 HE2 TYR 657 HE2 TYR 657 0.162 -9.458 -7.347 40 HH TYR 657 HH TYR 657 2.062 -8.469 -9.977 41 H ARG 658 HN ARG 658 -6.640 -7.618 -10.520 42 HA ARG 658 HA ARG 658 -8.665 -9.680 -10.372 43 HB2 ARG 658 HB2 ARG 658 -9.160 -7.641 -9.193 44 HB3 ARG 658 HB1 ARG 658 -8.693 -6.634 -10.552 45 HG2 ARG 658 HG2 ARG 658 -11.020 -8.454 -11.028 46 HG3 ARG 658 HG1 ARG 658 -11.286 -7.156 -9.861 47 HD2 ARG 658 HD2 ARG 658 -10.721 -5.477 -11.492 48 HD3 ARG 658 HD1 ARG 658 -10.159 -6.695 -12.633 49 HE ARG 658 HE ARG 658 -12.895 -7.136 -11.986 50 HH11 ARG 658 HH11 ARG 658 -10.862 -5.025 -13.920 51 HH12 ARG 658 HH12 ARG 658 -12.124 -4.660 -15.051 52 HH21 ARG 658 HH21 ARG 658 -14.522 -6.672 -13.488 53 HH22 ARG 658 HH22 ARG 658 -14.199 -5.586 -14.803 54 H PHE 659 HN PHE 659 -8.291 -10.930 -12.148 55 HA PHE 659 HA PHE 659 -8.471 -9.765 -14.848 56 HB2 PHE 659 HB2 PHE 659 -7.706 -12.243 -15.460 57 HB3 PHE 659 HB1 PHE 659 -6.552 -11.029 -14.949 58 HD1 PHE 659 HD1 PHE 659 -8.755 -13.605 -13.231 59 HD2 PHE 659 HD2 PHE 659 -4.868 -11.835 -13.528 60 HE1 PHE 659 HE1 PHE 659 -7.922 -15.135 -11.495 61 HE2 PHE 659 HE2 PHE 659 -4.046 -13.382 -11.793 62 HZ PHE 659 HZ PHE 659 -5.565 -15.025 -10.775 63 H GLU 660 HN GLU 660 -10.644 -9.455 -15.092 64 HA GLU 660 HA GLU 660 -12.315 -11.838 -15.408 65 HB2 GLU 660 HB2 GLU 660 -12.476 -10.687 -12.994 66 HB3 GLU 660 HB1 GLU 660 -13.496 -9.519 -13.823 67 HG2 GLU 660 HG2 GLU 660 -14.018 -12.517 -13.799 68 HG3 GLU 660 HG1 GLU 660 -14.675 -11.410 -12.602 69 H CYS 661 HN CYS 661 -14.080 -11.496 -16.788 70 HA CYS 661 HA CYS 661 -13.629 -9.620 -18.874 71 HB2 CYS 661 HB2 CYS 661 -14.561 -11.891 -19.272 72 HB3 CYS 661 HB1 CYS 661 -16.058 -11.401 -18.471 73 H ILE 662 HN ILE 662 -14.606 -7.730 -19.314 74 HA ILE 662 HA ILE 662 -15.513 -5.998 -17.431 75 HB ILE 662 HB ILE 662 -16.421 -4.601 -19.398 76 HG12 ILE 662 HG12 ILE 662 -15.396 -7.000 -21.012 77 HG13 ILE 662 HG11 ILE 662 -17.084 -6.539 -20.841 78 HG21 ILE 662 HG21 ILE 662 -14.171 -4.169 -20.316 79 HG22 ILE 662 HG22 ILE 662 -13.583 -5.681 -19.621 80 HG23 ILE 662 HG23 ILE 662 -14.109 -4.373 -18.564 81 HD11 ILE 662 HD11 ILE 662 -14.937 -4.944 -22.218 82 HD12 ILE 662 HD12 ILE 662 -16.621 -4.448 -22.021 83 HD13 ILE 662 HD13 ILE 662 -16.226 -5.875 -22.979 84 H CYS 663 HN CYS 663 -17.648 -8.184 -19.250 85 HA CYS 663 HA CYS 663 -20.117 -6.934 -18.507 86 HB2 CYS 663 HB2 CYS 663 -21.226 -8.974 -19.340 87 HB3 CYS 663 HB1 CYS 663 -19.995 -8.431 -20.470 88 H GLY 664 HN GLY 664 -18.356 -9.768 -17.257 89 HA2 GLY 664 HA2 GLY 664 -18.458 -10.809 -15.193 90 HA3 GLY 664 HA1 GLY 664 -19.721 -9.697 -14.685 91 H GLU 665 HN GLU 665 -20.010 -11.563 -17.654 92 HA GLU 665 HA GLU 665 -22.338 -13.035 -16.830 93 HB2 GLU 665 HB2 GLU 665 -20.513 -13.504 -19.246 94 HB3 GLU 665 HB1 GLU 665 -22.086 -14.252 -19.016 95 HG2 GLU 665 HG2 GLU 665 -23.229 -12.192 -19.411 96 HG3 GLU 665 HG1 GLU 665 -21.737 -11.258 -19.283 97 H LEU 666 HN LEU 666 -19.259 -14.156 -18.060 98 HA LEU 666 HA LEU 666 -18.613 -16.160 -16.093 99 HB2 LEU 666 HB2 LEU 666 -19.439 -16.938 -18.949 100 HB3 LEU 666 HB1 LEU 666 -18.550 -17.999 -17.874 101 HG LEU 666 HG LEU 666 -21.374 -16.998 -17.368 102 HD11 LEU 666 HD11 LEU 666 -21.331 -18.528 -19.277 103 HD12 LEU 666 HD12 LEU 666 -22.106 -19.291 -17.892 104 HD13 LEU 666 HD13 LEU 666 -20.452 -19.730 -18.326 105 HD21 LEU 666 HD21 LEU 666 -20.207 -17.461 -15.261 106 HD22 LEU 666 HD22 LEU 666 -19.732 -19.060 -15.843 107 HD23 LEU 666 HD23 LEU 666 -21.434 -18.690 -15.564 108 H ASP 667 HN ASP 667 -16.516 -17.422 -17.335 109 HA ASP 667 HA ASP 667 -15.650 -16.134 -19.742 110 HB2 ASP 667 HB2 ASP 667 -14.723 -14.668 -17.672 111 HB3 ASP 667 HB1 ASP 667 -13.464 -15.908 -17.648 112 H GLN 668 HN GLN 668 -16.273 -18.449 -19.974 113 HA GLN 668 HA GLN 668 -13.828 -20.123 -20.066 114 HB2 GLN 668 HB2 GLN 668 -16.599 -21.250 -19.394 115 HB3 GLN 668 HB1 GLN 668 -15.106 -22.162 -19.574 116 HG2 GLN 668 HG2 GLN 668 -15.525 -22.055 -17.242 117 HG3 GLN 668 HG1 GLN 668 -14.219 -20.915 -17.552 118 HE21 GLN 668 HE21 GLN 668 -14.646 -19.720 -15.683 119 HE22 GLN 668 HE22 GLN 668 -16.047 -18.725 -15.513 120 H ILE 669 HN ILE 669 -13.630 -21.347 -21.955 121 HA ILE 669 HA ILE 669 -15.234 -20.586 -24.242 122 HB ILE 669 HB ILE 669 -13.078 -22.763 -24.086 123 HG12 ILE 669 HG12 ILE 669 -12.768 -19.846 -24.957 124 HG13 ILE 669 HG11 ILE 669 -12.206 -20.505 -23.426 125 HG21 ILE 669 HG21 ILE 669 -12.913 -22.506 -26.546 126 HG22 ILE 669 HG22 ILE 669 -14.216 -21.316 -26.522 127 HG23 ILE 669 HG23 ILE 669 -14.542 -22.991 -26.073 128 HD11 ILE 669 HD11 ILE 669 -10.385 -20.256 -24.967 129 HD12 ILE 669 HD12 ILE 669 -11.198 -21.265 -26.163 130 HD13 ILE 669 HD13 ILE 669 -10.654 -21.964 -24.633 131 H ASP 670 HN ASP 670 -17.296 -21.296 -23.584 132 HA ASP 670 HA ASP 670 -17.865 -24.156 -24.004 133 HB2 ASP 670 HB2 ASP 670 -17.612 -23.894 -21.542 134 HB3 ASP 670 HB1 ASP 670 -18.780 -22.579 -21.546 135 H ARG 671 HN ARG 671 -19.896 -21.500 -22.751 136 HA ARG 671 HA ARG 671 -21.706 -21.732 -25.033 137 HB2 ARG 671 HB2 ARG 671 -21.856 -20.096 -22.458 138 HB3 ARG 671 HB1 ARG 671 -23.069 -20.018 -23.732 139 HG2 ARG 671 HG2 ARG 671 -22.373 -22.462 -22.066 140 HG3 ARG 671 HG1 ARG 671 -23.836 -21.474 -21.936 141 HD2 ARG 671 HD2 ARG 671 -23.011 -23.214 -24.293 142 HD3 ARG 671 HD1 ARG 671 -24.337 -23.516 -23.169 143 HE ARG 671 HE ARG 671 -24.844 -21.052 -24.317 144 HH11 ARG 671 HH11 ARG 671 -24.490 -24.332 -25.534 145 HH12 ARG 671 HH12 ARG 671 -25.591 -24.066 -26.849 146 HH21 ARG 671 HH21 ARG 671 -26.248 -20.755 -26.065 147 HH22 ARG 671 HH22 ARG 671 -26.575 -22.075 -27.142 148 H LYS 672 HN LYS 672 -19.689 -19.286 -23.450 149 HA LYS 672 HA LYS 672 -19.731 -17.630 -25.903 150 HB2 LYS 672 HB2 LYS 672 -19.179 -16.747 -23.029 151 HB3 LYS 672 HB1 LYS 672 -19.228 -15.700 -24.444 152 HG2 LYS 672 HG2 LYS 672 -21.584 -17.255 -23.307 153 HG3 LYS 672 HG1 LYS 672 -21.289 -15.532 -23.059 154 HD2 LYS 672 HD2 LYS 672 -21.717 -16.799 -25.801 155 HD3 LYS 672 HD1 LYS 672 -23.021 -16.107 -24.835 156 HE2 LYS 672 HE2 LYS 672 -20.579 -14.543 -25.749 157 HE3 LYS 672 HE1 LYS 672 -22.121 -14.564 -26.605 158 HZ1 LYS 672 HZ1 LYS 672 -23.182 -13.641 -24.657 159 HZ2 LYS 672 HZ2 LYS 672 -21.926 -12.641 -25.180 160 HZ3 LYS 672 HZ3 LYS 672 -21.716 -13.618 -23.813 161 HA PRO 673 HA PRO 673 -15.320 -18.713 -25.990 162 HB2 PRO 673 HB2 PRO 673 -14.504 -17.053 -28.003 163 HB3 PRO 673 HB1 PRO 673 -15.456 -18.505 -28.312 164 HG2 PRO 673 HG2 PRO 673 -16.364 -15.644 -28.145 165 HG3 PRO 673 HG1 PRO 673 -16.842 -16.903 -29.306 166 HD2 PRO 673 HD2 PRO 673 -18.362 -16.188 -27.123 167 HD3 PRO 673 HD1 PRO 673 -18.421 -17.805 -27.848 168 H ARG 674 HN ARG 674 -13.241 -17.658 -25.427 169 HA ARG 674 HA ARG 674 -13.442 -14.948 -24.342 170 HB2 ARG 674 HB2 ARG 674 -12.528 -15.727 -22.105 171 HB3 ARG 674 HB1 ARG 674 -14.193 -16.155 -22.454 172 HG2 ARG 674 HG2 ARG 674 -13.569 -18.176 -21.660 173 HG3 ARG 674 HG1 ARG 674 -13.013 -18.420 -23.309 174 HD2 ARG 674 HD2 ARG 674 -11.286 -19.184 -21.871 175 HD3 ARG 674 HD1 ARG 674 -10.715 -17.644 -22.518 176 HE ARG 674 HE ARG 674 -11.789 -16.769 -20.292 177 HH11 ARG 674 HH11 ARG 674 -9.935 -19.705 -20.610 178 HH12 ARG 674 HH12 ARG 674 -9.276 -19.595 -19.014 179 HH21 ARG 674 HH21 ARG 674 -10.905 -16.609 -18.231 180 HH22 ARG 674 HH22 ARG 674 -9.824 -17.843 -17.658 181 H VAL 675 HN VAL 675 -11.827 -13.837 -24.855 182 HA VAL 675 HA VAL 675 -9.305 -14.887 -25.821 183 HB VAL 675 HB VAL 675 -8.812 -12.534 -26.452 184 HG11 VAL 675 HG11 VAL 675 -9.969 -13.943 -28.061 185 HG12 VAL 675 HG12 VAL 675 -10.558 -12.286 -28.191 186 HG13 VAL 675 HG13 VAL 675 -11.534 -13.507 -27.370 187 HG21 VAL 675 HG21 VAL 675 -9.991 -11.306 -24.665 188 HG22 VAL 675 HG22 VAL 675 -11.550 -11.835 -25.301 189 HG23 VAL 675 HG23 VAL 675 -10.531 -10.751 -26.252 190 H GLN 676 HN GLN 676 -7.473 -14.826 -24.755 191 HA GLN 676 HA GLN 676 -7.348 -13.813 -21.994 192 HB2 GLN 676 HB2 GLN 676 -5.483 -15.743 -23.469 193 HB3 GLN 676 HB1 GLN 676 -5.442 -15.363 -21.746 194 HG2 GLN 676 HG2 GLN 676 -7.711 -16.785 -23.194 195 HG3 GLN 676 HG1 GLN 676 -6.481 -17.558 -22.188 196 HE21 GLN 676 HE21 GLN 676 -9.313 -15.460 -22.163 197 HE22 GLN 676 HE22 GLN 676 -9.658 -15.633 -20.481 198 H CYS 677 HN CYS 677 -6.822 -11.638 -22.229 199 HA CYS 677 HA CYS 677 -5.181 -10.585 -24.302 200 HB2 CYS 677 HB2 CYS 677 -6.850 -9.182 -23.186 201 HB3 CYS 677 HB1 CYS 677 -5.984 -9.315 -21.662 202 H LEU 678 HN LEU 678 -3.260 -11.594 -24.350 203 HA LEU 678 HA LEU 678 -1.635 -12.419 -22.258 204 HB2 LEU 678 HB2 LEU 678 0.127 -12.717 -24.003 205 HB3 LEU 678 HB1 LEU 678 -1.405 -13.459 -24.400 206 HG LEU 678 HG LEU 678 -0.837 -10.711 -25.537 207 HD11 LEU 678 HD11 LEU 678 0.357 -13.246 -26.727 208 HD12 LEU 678 HD12 LEU 678 1.262 -11.926 -25.982 209 HD13 LEU 678 HD13 LEU 678 0.368 -11.643 -27.473 210 HD21 LEU 678 HD21 LEU 678 -2.092 -11.594 -27.507 211 HD22 LEU 678 HD22 LEU 678 -3.033 -11.636 -26.024 212 HD23 LEU 678 HD23 LEU 678 -2.321 -13.122 -26.651 213 H LYS 679 HN LYS 679 -1.826 -9.302 -23.765 214 HA LYS 679 HA LYS 679 0.738 -8.296 -23.146 215 HB2 LYS 679 HB2 LYS 679 -0.701 -7.386 -24.924 216 HB3 LYS 679 HB1 LYS 679 -1.850 -6.812 -23.724 217 HG2 LYS 679 HG2 LYS 679 -0.475 -5.041 -23.032 218 HG3 LYS 679 HG1 LYS 679 1.004 -5.823 -23.593 219 HD2 LYS 679 HD2 LYS 679 -1.153 -4.692 -25.428 220 HD3 LYS 679 HD1 LYS 679 0.324 -3.834 -24.973 221 HE2 LYS 679 HE2 LYS 679 1.671 -5.663 -26.006 222 HE3 LYS 679 HE1 LYS 679 0.178 -6.458 -26.509 223 HZ1 LYS 679 HZ1 LYS 679 -0.321 -4.606 -27.923 224 HZ2 LYS 679 HZ2 LYS 679 1.242 -5.149 -28.260 225 HZ3 LYS 679 HZ3 LYS 679 1.017 -3.748 -27.351 226 H CYS 680 HN CYS 680 -2.188 -8.542 -21.171 227 HA CYS 680 HA CYS 680 -0.706 -7.358 -18.889 228 HB2 CYS 680 HB2 CYS 680 -2.544 -5.946 -18.185 229 HB3 CYS 680 HB1 CYS 680 -2.240 -5.580 -19.885 230 H HIS 681 HN HIS 681 -2.037 -10.026 -20.000 231 HA HIS 681 HA HIS 681 -3.211 -11.837 -19.334 232 HB2 HIS 681 HB2 HIS 681 -1.745 -11.097 -16.778 233 HB3 HIS 681 HB1 HIS 681 -2.653 -12.597 -16.940 234 HD1 HIS 681 HD1 HIS 681 -1.427 -14.524 -17.956 235 HD2 HIS 681 HD2 HIS 681 0.454 -10.910 -18.771 236 HE1 HIS 681 HE1 HIS 681 0.678 -15.122 -19.186 237 HE2 HIS 681 HE2 HIS 681 1.838 -12.928 -19.591 238 H LEU 682 HN LEU 682 -4.978 -10.001 -19.668 239 HA LEU 682 HA LEU 682 -6.845 -10.013 -17.348 240 HB2 LEU 682 HB2 LEU 682 -6.029 -7.764 -18.303 241 HB3 LEU 682 HB1 LEU 682 -6.909 -8.138 -19.764 242 HG LEU 682 HG LEU 682 -8.057 -6.502 -18.239 243 HD11 LEU 682 HD11 LEU 682 -9.395 -7.768 -19.844 244 HD12 LEU 682 HD12 LEU 682 -10.303 -7.404 -18.380 245 HD13 LEU 682 HD13 LEU 682 -9.665 -9.031 -18.641 246 HD21 LEU 682 HD21 LEU 682 -9.109 -7.253 -16.169 247 HD22 LEU 682 HD22 LEU 682 -7.356 -7.424 -16.092 248 HD23 LEU 682 HD23 LEU 682 -8.369 -8.844 -16.357 249 H TRP 683 HN TRP 683 -8.555 -11.333 -17.595 250 HA TRP 683 HA TRP 683 -8.907 -12.776 -20.104 251 HB2 TRP 683 HB2 TRP 683 -10.518 -13.235 -17.568 252 HB3 TRP 683 HB1 TRP 683 -10.170 -14.374 -18.861 253 HD1 TRP 683 HD1 TRP 683 -9.609 -14.637 -15.620 254 HE1 TRP 683 HE1 TRP 683 -7.296 -15.381 -14.850 255 HE3 TRP 683 HE3 TRP 683 -6.901 -13.578 -19.865 256 HZ2 TRP 683 HZ2 TRP 683 -4.689 -15.530 -15.853 257 HZ3 TRP 683 HZ3 TRP 683 -4.500 -14.070 -19.862 258 HH2 TRP 683 HH2 TRP 683 -3.407 -15.029 -17.893 259 H GLN 684 HN GLN 684 -10.588 -12.470 -21.493 260 HA GLN 684 HA GLN 684 -13.021 -11.080 -20.683 261 HB2 GLN 684 HB2 GLN 684 -11.021 -9.528 -21.735 262 HB3 GLN 684 HB1 GLN 684 -11.801 -10.023 -23.224 263 HG2 GLN 684 HG2 GLN 684 -13.428 -8.475 -22.943 264 HG3 GLN 684 HG1 GLN 684 -13.871 -9.173 -21.389 265 HE21 GLN 684 HE21 GLN 684 -12.640 -8.446 -19.508 266 HE22 GLN 684 HE22 GLN 684 -12.021 -6.846 -19.477 267 H HIS 685 HN HIS 685 -14.793 -11.445 -22.169 268 HA HIS 685 HA HIS 685 -14.643 -13.802 -23.781 269 HB2 HIS 685 HB2 HIS 685 -16.833 -11.726 -23.482 270 HB3 HIS 685 HB1 HIS 685 -16.998 -13.101 -24.556 271 HD2 HIS 685 HD2 HIS 685 -16.291 -15.610 -22.730 272 HE1 HIS 685 HE1 HIS 685 -18.950 -13.861 -19.948 273 HE2 HIS 685 HE2 HIS 685 -17.617 -15.932 -20.528 274 H ALA 686 HN ALA 686 -14.632 -13.996 -26.025 275 HA ALA 686 HA ALA 686 -13.305 -12.083 -27.589 276 HB1 ALA 686 HB1 ALA 686 -13.350 -14.491 -28.115 277 HB2 ALA 686 HB2 ALA 686 -13.866 -13.523 -29.497 278 HB3 ALA 686 HB3 ALA 686 -15.065 -14.376 -28.520 279 H LYS 687 HN LYS 687 -16.789 -12.950 -27.493 280 HA LYS 687 HA LYS 687 -17.596 -11.005 -29.419 281 HB2 LYS 687 HB2 LYS 687 -19.046 -12.939 -27.627 282 HB3 LYS 687 HB1 LYS 687 -19.978 -11.612 -28.296 283 HG2 LYS 687 HG2 LYS 687 -20.199 -13.615 -29.691 284 HG3 LYS 687 HG1 LYS 687 -19.429 -12.298 -30.576 285 HD2 LYS 687 HD2 LYS 687 -17.202 -13.360 -30.191 286 HD3 LYS 687 HD1 LYS 687 -18.003 -14.689 -29.351 287 HE2 LYS 687 HE2 LYS 687 -18.391 -13.938 -32.266 288 HE3 LYS 687 HE1 LYS 687 -17.438 -15.293 -31.665 289 HZ1 LYS 687 HZ1 LYS 687 -19.587 -16.029 -32.403 290 HZ2 LYS 687 HZ2 LYS 687 -20.366 -14.951 -31.362 291 HZ3 LYS 687 HZ3 LYS 687 -19.466 -16.232 -30.728 292 H CYS 688 HN CYS 688 -16.955 -10.735 -26.043 293 HA CYS 688 HA CYS 688 -18.548 -8.377 -25.558 294 HB2 CYS 688 HB2 CYS 688 -16.338 -9.720 -23.993 295 HB3 CYS 688 HB1 CYS 688 -17.006 -8.165 -23.486 296 H VAL 689 HN VAL 689 -15.536 -8.957 -27.113 297 HA VAL 689 HA VAL 689 -14.902 -6.052 -27.142 298 HB VAL 689 HB VAL 689 -12.530 -6.601 -27.461 299 HG11 VAL 689 HG11 VAL 689 -13.318 -6.356 -25.142 300 HG12 VAL 689 HG12 VAL 689 -11.999 -7.520 -25.225 301 HG13 VAL 689 HG13 VAL 689 -13.664 -8.085 -25.051 302 HG21 VAL 689 HG21 VAL 689 -11.644 -8.915 -27.271 303 HG22 VAL 689 HG22 VAL 689 -12.705 -8.740 -28.669 304 HG23 VAL 689 HG23 VAL 689 -13.296 -9.541 -27.215 305 H ASN 690 HN ASN 690 -16.648 -7.891 -28.839 306 HA ASN 690 HA ASN 690 -17.422 -8.036 -30.943 307 HB2 ASN 690 HB2 ASN 690 -15.446 -5.790 -31.519 308 HB3 ASN 690 HB1 ASN 690 -16.589 -6.394 -32.712 309 HD21 ASN 690 HD21 ASN 690 -17.636 -4.420 -32.890 310 HD22 ASN 690 HD22 ASN 690 -18.654 -3.783 -31.647 311 H TYR 691 HN TYR 691 -14.672 -9.298 -30.104 312 HA TYR 691 HA TYR 691 -13.526 -10.122 -32.655 313 HB2 TYR 691 HB2 TYR 691 -12.226 -9.436 -30.532 314 HB3 TYR 691 HB1 TYR 691 -12.752 -10.947 -29.815 315 HD1 TYR 691 HD1 TYR 691 -10.763 -9.529 -32.668 316 HD2 TYR 691 HD2 TYR 691 -11.446 -12.919 -30.162 317 HE1 TYR 691 HE1 TYR 691 -8.737 -10.606 -33.556 318 HE2 TYR 691 HE2 TYR 691 -9.428 -13.975 -31.046 319 HH TYR 691 HH TYR 691 -7.103 -12.368 -32.793 320 H ASP 692 HN ASP 692 -13.049 -12.649 -32.769 321 HA ASP 692 HA ASP 692 -15.275 -14.245 -31.651 322 HB2 ASP 692 HB2 ASP 692 -15.656 -15.395 -33.800 323 HB3 ASP 692 HB1 ASP 692 -15.965 -13.667 -33.938 324 H GLU 693 HN GLU 693 -14.817 -16.709 -32.335 325 HA GLU 693 HA GLU 693 -12.294 -17.238 -30.979 326 HB2 GLU 693 HB2 GLU 693 -13.149 -19.530 -30.640 327 HB3 GLU 693 HB1 GLU 693 -14.207 -18.289 -30.010 328 HG2 GLU 693 HG2 GLU 693 -15.820 -19.568 -30.967 329 HG3 GLU 693 HG1 GLU 693 -15.396 -18.630 -32.401 330 H LYS 694 HN LYS 694 -13.588 -17.559 -34.193 331 HA LYS 694 HA LYS 694 -12.013 -19.627 -35.258 332 HB2 LYS 694 HB2 LYS 694 -13.025 -17.103 -36.641 333 HB3 LYS 694 HB1 LYS 694 -12.211 -18.400 -37.499 334 HG2 LYS 694 HG2 LYS 694 -14.505 -18.731 -37.885 335 HG3 LYS 694 HG1 LYS 694 -14.044 -19.954 -36.701 336 HD2 LYS 694 HD2 LYS 694 -15.008 -18.522 -34.893 337 HD3 LYS 694 HD1 LYS 694 -15.520 -17.351 -36.114 338 HE2 LYS 694 HE2 LYS 694 -17.384 -18.813 -35.443 339 HE3 LYS 694 HE1 LYS 694 -16.978 -19.076 -37.139 340 HZ1 LYS 694 HZ1 LYS 694 -16.028 -20.776 -34.896 341 HZ2 LYS 694 HZ2 LYS 694 -15.812 -21.068 -36.546 342 HZ3 LYS 694 HZ3 LYS 694 -17.358 -21.139 -35.874 343 H ASN 695 HN ASN 695 -11.320 -16.122 -35.144 344 HA ASN 695 HA ASN 695 -8.554 -16.547 -35.950 345 HB2 ASN 695 HB2 ASN 695 -8.427 -13.962 -35.640 346 HB3 ASN 695 HB1 ASN 695 -9.365 -14.619 -36.972 347 HD21 ASN 695 HD21 ASN 695 -10.541 -14.541 -33.626 348 HD22 ASN 695 HD22 ASN 695 -11.787 -13.394 -33.932 349 H LEU 696 HN LEU 696 -10.145 -16.660 -32.976 350 HA LEU 696 HA LEU 696 -8.178 -15.596 -31.206 351 HB2 LEU 696 HB2 LEU 696 -10.601 -16.224 -30.709 352 HB3 LEU 696 HB1 LEU 696 -10.096 -17.895 -30.655 353 HG LEU 696 HG LEU 696 -9.081 -15.759 -28.726 354 HD11 LEU 696 HD11 LEU 696 -11.510 -15.985 -28.494 355 HD12 LEU 696 HD12 LEU 696 -10.690 -16.660 -27.091 356 HD13 LEU 696 HD13 LEU 696 -11.359 -17.737 -28.320 357 HD21 LEU 696 HD21 LEU 696 -7.587 -17.709 -28.826 358 HD22 LEU 696 HD22 LEU 696 -8.946 -18.794 -28.531 359 HD23 LEU 696 HD23 LEU 696 -8.429 -17.659 -27.278 360 H LYS 697 HN LYS 697 -8.698 -18.793 -32.657 361 HA LYS 697 HA LYS 697 -6.469 -20.068 -31.339 362 HB2 LYS 697 HB2 LYS 697 -8.490 -20.923 -33.402 363 HB3 LYS 697 HB1 LYS 697 -7.023 -21.874 -33.253 364 HG2 LYS 697 HG2 LYS 697 -8.575 -22.980 -31.869 365 HG3 LYS 697 HG1 LYS 697 -7.571 -22.066 -30.743 366 HD2 LYS 697 HD2 LYS 697 -9.755 -21.690 -29.932 367 HD3 LYS 697 HD1 LYS 697 -9.448 -20.244 -30.897 368 HE2 LYS 697 HE2 LYS 697 -11.682 -21.018 -31.414 369 HE3 LYS 697 HE1 LYS 697 -10.661 -21.350 -32.812 370 HZ1 LYS 697 HZ1 LYS 697 -12.049 -23.211 -32.385 371 HZ2 LYS 697 HZ2 LYS 697 -11.558 -23.294 -30.770 372 HZ3 LYS 697 HZ3 LYS 697 -10.461 -23.649 -32.004 373 H ILE 698 HN ILE 698 -6.200 -17.711 -33.583 374 HA ILE 698 HA ILE 698 -3.633 -18.768 -34.553 375 HB ILE 698 HB ILE 698 -4.197 -17.712 -36.911 376 HG12 ILE 698 HG12 ILE 698 -6.986 -18.288 -35.827 377 HG13 ILE 698 HG11 ILE 698 -6.367 -16.730 -36.356 378 HG21 ILE 698 HG21 ILE 698 -3.687 -20.105 -36.587 379 HG22 ILE 698 HG22 ILE 698 -4.962 -19.890 -37.786 380 HG23 ILE 698 HG23 ILE 698 -5.368 -20.415 -36.151 381 HD11 ILE 698 HD11 ILE 698 -6.947 -19.122 -38.090 382 HD12 ILE 698 HD12 ILE 698 -6.249 -17.603 -38.661 383 HD13 ILE 698 HD13 ILE 698 -7.876 -17.630 -37.984 384 H LYS 699 HN LYS 699 -5.706 -15.850 -34.921 385 HA LYS 699 HA LYS 699 -3.398 -14.105 -35.060 386 HB2 LYS 699 HB2 LYS 699 -6.395 -13.631 -35.253 387 HB3 LYS 699 HB1 LYS 699 -5.199 -12.352 -35.458 388 HG2 LYS 699 HG2 LYS 699 -4.311 -13.342 -37.435 389 HG3 LYS 699 HG1 LYS 699 -5.122 -14.868 -37.124 390 HD2 LYS 699 HD2 LYS 699 -6.221 -13.670 -38.955 391 HD3 LYS 699 HD1 LYS 699 -7.301 -13.830 -37.564 392 HE2 LYS 699 HE2 LYS 699 -6.922 -11.516 -36.940 393 HE3 LYS 699 HE1 LYS 699 -5.666 -11.342 -38.169 394 HZ1 LYS 699 HZ1 LYS 699 -7.653 -10.368 -38.977 395 HZ2 LYS 699 HZ2 LYS 699 -8.560 -11.740 -38.621 396 HZ3 LYS 699 HZ3 LYS 699 -7.409 -11.793 -39.849 397 HA PRO 700 HA PRO 700 -3.160 -12.518 -30.841 398 HB2 PRO 700 HB2 PRO 700 -2.969 -9.763 -31.338 399 HB3 PRO 700 HB1 PRO 700 -1.626 -10.907 -31.486 400 HG2 PRO 700 HG2 PRO 700 -3.514 -9.925 -33.653 401 HG3 PRO 700 HG1 PRO 700 -1.729 -9.979 -33.667 402 HD2 PRO 700 HD2 PRO 700 -3.097 -11.868 -34.899 403 HD3 PRO 700 HD1 PRO 700 -1.721 -12.355 -33.877 404 H PHE 701 HN PHE 701 -4.315 -11.402 -29.206 405 HA PHE 701 HA PHE 701 -6.891 -10.162 -29.768 406 HB2 PHE 701 HB2 PHE 701 -8.000 -11.861 -28.116 407 HB3 PHE 701 HB1 PHE 701 -7.747 -12.350 -29.782 408 HD1 PHE 701 HD1 PHE 701 -6.579 -12.846 -26.285 409 HD2 PHE 701 HD2 PHE 701 -6.222 -14.145 -30.346 410 HE1 PHE 701 HE1 PHE 701 -5.370 -14.868 -25.554 411 HE2 PHE 701 HE2 PHE 701 -5.013 -16.147 -29.597 412 HZ PHE 701 HZ PHE 701 -4.583 -16.512 -27.204 413 H TYR 702 HN TYR 702 -7.452 -8.696 -28.206 414 HA TYR 702 HA TYR 702 -5.942 -8.607 -25.665 415 HB2 TYR 702 HB2 TYR 702 -6.152 -6.222 -27.566 416 HB3 TYR 702 HB1 TYR 702 -5.332 -6.242 -26.007 417 HD1 TYR 702 HD1 TYR 702 -3.284 -7.827 -25.758 418 HD2 TYR 702 HD2 TYR 702 -4.963 -6.769 -29.547 419 HE1 TYR 702 HE1 TYR 702 -1.208 -8.521 -26.875 420 HE2 TYR 702 HE2 TYR 702 -2.886 -7.459 -30.658 421 HH TYR 702 HH TYR 702 -0.443 -9.245 -29.096 422 H CYS 703 HN CYS 703 -6.807 -7.032 -24.140 423 HA CYS 703 HA CYS 703 -9.701 -6.691 -24.220 424 HB2 CYS 703 HB2 CYS 703 -9.546 -6.069 -21.907 425 HB3 CYS 703 HB1 CYS 703 -8.380 -7.368 -22.114 426 HA PRO 704 HA PRO 704 -9.814 -2.660 -26.080 427 HB2 PRO 704 HB2 PRO 704 -11.700 -1.315 -24.469 428 HB3 PRO 704 HB1 PRO 704 -12.078 -2.415 -25.801 429 HG2 PRO 704 HG2 PRO 704 -11.934 -2.998 -22.846 430 HG3 PRO 704 HG1 PRO 704 -13.145 -3.530 -24.034 431 HD2 PRO 704 HD2 PRO 704 -11.238 -5.193 -23.222 432 HD3 PRO 704 HD1 PRO 704 -11.711 -5.161 -24.935 433 H HIS 705 HN HIS 705 -9.303 -2.646 -22.577 434 HA HIS 705 HA HIS 705 -8.432 -0.026 -22.161 435 HB2 HIS 705 HB2 HIS 705 -8.881 -1.864 -20.426 436 HB3 HIS 705 HB1 HIS 705 -7.272 -2.474 -20.763 437 HD1 HIS 705 HD1 HIS 705 -8.596 -1.047 -18.086 438 HD2 HIS 705 HD2 HIS 705 -5.643 0.461 -20.590 439 HE1 HIS 705 HE1 HIS 705 -7.317 0.617 -16.712 440 HE2 HIS 705 HE2 HIS 705 -5.634 1.599 -18.286 441 H CYS 706 HN CYS 706 -6.536 -2.895 -23.165 442 HA CYS 706 HA CYS 706 -4.017 -1.552 -23.379 443 HB2 CYS 706 HB2 CYS 706 -4.962 -4.205 -24.514 444 HB3 CYS 706 HB1 CYS 706 -3.316 -3.602 -24.708 445 H LEU 707 HN LEU 707 -6.712 -2.038 -25.607 446 HA LEU 707 HA LEU 707 -5.368 -1.335 -28.018 447 HB2 LEU 707 HB2 LEU 707 -8.308 -1.051 -27.296 448 HB3 LEU 707 HB1 LEU 707 -7.654 -0.909 -28.922 449 HG LEU 707 HG LEU 707 -7.601 -3.446 -27.222 450 HD11 LEU 707 HD11 LEU 707 -9.262 -4.331 -28.808 451 HD12 LEU 707 HD12 LEU 707 -9.325 -2.766 -29.624 452 HD13 LEU 707 HD13 LEU 707 -9.868 -2.914 -27.952 453 HD21 LEU 707 HD21 LEU 707 -5.670 -3.382 -28.729 454 HD22 LEU 707 HD22 LEU 707 -6.719 -3.049 -30.109 455 HD23 LEU 707 HD23 LEU 707 -6.826 -4.597 -29.266 456 H VAL 708 HN VAL 708 -7.148 0.552 -25.589 457 HA VAL 708 HA VAL 708 -6.846 3.124 -26.777 458 HB VAL 708 HB VAL 708 -7.276 2.445 -23.822 459 HG11 VAL 708 HG11 VAL 708 -6.561 4.782 -24.144 460 HG12 VAL 708 HG12 VAL 708 -8.251 4.725 -23.647 461 HG13 VAL 708 HG13 VAL 708 -7.838 5.030 -25.336 462 HG21 VAL 708 HG21 VAL 708 -9.699 2.735 -24.260 463 HG22 VAL 708 HG22 VAL 708 -9.034 1.428 -25.240 464 HG23 VAL 708 HG23 VAL 708 -9.365 2.993 -25.976 465 H ALA 709 HN ALA 709 -4.896 1.212 -24.558 466 HA ALA 709 HA ALA 709 -3.078 3.266 -23.747 467 HB1 ALA 709 HB1 ALA 709 -1.824 1.457 -22.667 468 HB2 ALA 709 HB2 ALA 709 -2.782 0.250 -23.531 469 HB3 ALA 709 HB3 ALA 709 -3.552 1.301 -22.340 470 H MET 710 HN MET 710 -3.121 0.959 -26.405 471 HA MET 710 HA MET 710 -0.342 1.372 -27.168 472 HB2 MET 710 HB2 MET 710 -2.619 -0.145 -28.502 473 HB3 MET 710 HB1 MET 710 -1.018 -0.003 -29.217 474 HG2 MET 710 HG2 MET 710 -0.053 -1.138 -27.225 475 HG3 MET 710 HG1 MET 710 -1.684 -1.340 -26.583 476 HE1 MET 710 HE1 MET 710 -3.269 -3.812 -29.215 477 HE2 MET 710 HE2 MET 710 -3.363 -2.053 -29.257 478 HE3 MET 710 HE3 MET 710 -3.546 -2.908 -27.725 479 H GLU 711 HN GLU 711 -3.545 2.441 -28.239 480 HA GLU 711 HA GLU 711 -2.551 4.027 -30.434 481 HB2 GLU 711 HB2 GLU 711 -5.275 3.948 -29.064 482 HB3 GLU 711 HB1 GLU 711 -4.922 4.932 -30.485 483 HG2 GLU 711 HG2 GLU 711 -4.353 2.823 -31.730 484 HG3 GLU 711 HG1 GLU 711 -4.869 1.896 -30.318 485 HA PRO 712 HA PRO 712 -1.808 7.877 -28.074 486 HB2 PRO 712 HB2 PRO 712 -2.352 9.765 -29.984 487 HB3 PRO 712 HB1 PRO 712 -0.876 8.789 -30.015 488 HG2 PRO 712 HG2 PRO 712 -3.456 8.364 -31.532 489 HG3 PRO 712 HG1 PRO 712 -1.786 8.322 -32.145 490 HD2 PRO 712 HD2 PRO 712 -3.127 6.048 -31.549 491 HD3 PRO 712 HD1 PRO 712 -1.379 6.187 -31.257 492 H VAL 713 HN VAL 713 -3.078 9.384 -26.914 493 HA VAL 713 HA VAL 713 -5.909 8.946 -26.814 494 HB VAL 713 HB VAL 713 -5.946 10.796 -25.076 495 HG11 VAL 713 HG11 VAL 713 -3.925 8.565 -24.608 496 HG12 VAL 713 HG12 VAL 713 -5.676 8.434 -24.439 497 HG13 VAL 713 HG13 VAL 713 -4.765 9.476 -23.347 498 HG21 VAL 713 HG21 VAL 713 -2.917 10.836 -25.469 499 HG22 VAL 713 HG22 VAL 713 -3.787 11.643 -24.161 500 HG23 VAL 713 HG23 VAL 713 -4.025 12.160 -25.829 501 H SER 714 HN SER 714 -6.770 9.443 -28.758 502 HA SER 714 HA SER 714 -7.002 12.243 -29.579 503 HB2 SER 714 HB2 SER 714 -4.963 11.438 -30.754 504 HB3 SER 714 HB1 SER 714 -5.857 10.072 -31.417 505 HG SER 714 HG SER 714 -6.454 12.817 -31.906 506 H THR 715 HN THR 715 -9.105 12.563 -30.045 507 HA THR 715 HA THR 715 -10.880 10.321 -30.676 508 HB THR 715 HB THR 715 -11.522 13.267 -30.213 509 HG1 THR 715 HG1 THR 715 -10.686 11.637 -28.461 510 HG21 THR 715 HG21 THR 715 -13.267 12.127 -31.559 511 HG22 THR 715 HG22 THR 715 -13.853 12.494 -29.936 512 HG23 THR 715 HG23 THR 715 -13.367 10.847 -30.337 513 H ARG 716 HN ARG 716 -10.952 9.734 -32.726 514 HA ARG 716 HA ARG 716 -10.886 11.733 -34.911 515 HB2 ARG 716 HB2 ARG 716 -9.813 8.888 -34.807 516 HB3 ARG 716 HB1 ARG 716 -9.972 9.805 -36.302 517 HG2 ARG 716 HG2 ARG 716 -8.281 10.669 -33.936 518 HG3 ARG 716 HG1 ARG 716 -7.660 9.817 -35.356 519 HD2 ARG 716 HD2 ARG 716 -8.940 12.575 -35.300 520 HD3 ARG 716 HD1 ARG 716 -7.229 12.215 -35.570 521 HE ARG 716 HE ARG 716 -9.056 10.996 -37.469 522 HH11 ARG 716 HH11 ARG 716 -7.055 13.816 -36.847 523 HH12 ARG 716 HH12 ARG 716 -7.060 14.313 -38.509 524 HH21 ARG 716 HH21 ARG 716 -9.051 11.680 -39.621 525 HH22 ARG 716 HH22 ARG 716 -8.178 13.113 -40.067 Start of MODEL 9 1 H PHE 652 HT1 PHE 652 5.516 -5.704 1.433 2 HA PHE 652 HA PHE 652 5.347 -6.814 -0.671 3 HB2 PHE 652 HB2 PHE 652 3.534 -8.066 1.448 4 HB3 PHE 652 HB1 PHE 652 4.322 -8.936 0.135 5 HD1 PHE 652 HD1 PHE 652 6.870 -9.066 0.102 6 HD2 PHE 652 HD2 PHE 652 4.700 -7.648 3.501 7 HE1 PHE 652 HE1 PHE 652 8.849 -9.428 1.518 8 HE2 PHE 652 HE2 PHE 652 6.682 -8.011 4.910 9 HZ PHE 652 HZ PHE 652 8.760 -8.895 3.923 10 H ASN 653 HN ASN 653 2.077 -6.275 0.729 11 HA ASN 653 HA ASN 653 0.798 -6.823 -1.862 12 HB2 ASN 653 HB2 ASN 653 -0.328 -6.424 0.939 13 HB3 ASN 653 HB1 ASN 653 -1.341 -6.628 -0.487 14 HD21 ASN 653 HD21 ASN 653 -1.343 -8.626 -1.572 15 HD22 ASN 653 HD22 ASN 653 -0.811 -10.077 -0.798 16 H THR 654 HN THR 654 1.568 -4.974 -2.957 17 HA THR 654 HA THR 654 0.903 -2.283 -2.110 18 HB THR 654 HB THR 654 1.868 -1.669 -4.394 19 HG1 THR 654 HG1 THR 654 1.741 -3.381 -5.696 20 HG21 THR 654 HG21 THR 654 3.319 -1.687 -2.390 21 HG22 THR 654 HG22 THR 654 4.201 -2.209 -3.826 22 HG23 THR 654 HG23 THR 654 3.654 -3.402 -2.645 23 H SER 655 HN SER 655 -0.279 -4.637 -4.511 24 HA SER 655 HA SER 655 -2.814 -3.243 -4.776 25 HB2 SER 655 HB2 SER 655 -2.650 -3.103 -7.294 26 HB3 SER 655 HB1 SER 655 -1.514 -2.040 -6.468 27 HG SER 655 HG SER 655 -0.249 -3.010 -7.907 28 H ASP 656 HN ASP 656 -4.459 -4.520 -5.722 29 HA ASP 656 HA ASP 656 -3.852 -7.399 -6.122 30 HB2 ASP 656 HB2 ASP 656 -6.135 -7.895 -5.452 31 HB3 ASP 656 HB1 ASP 656 -5.423 -6.859 -4.226 32 H TYR 657 HN TYR 657 -5.412 -8.467 -7.720 33 HA TYR 657 HA TYR 657 -5.440 -6.793 -10.175 34 HB2 TYR 657 HB2 TYR 657 -4.745 -9.761 -9.963 35 HB3 TYR 657 HB1 TYR 657 -4.704 -8.783 -11.426 36 HD1 TYR 657 HD2 TYR 657 -3.003 -9.464 -8.207 37 HD2 TYR 657 HD1 TYR 657 -2.809 -7.260 -11.864 38 HE1 TYR 657 HE2 TYR 657 -0.662 -8.891 -7.741 39 HE2 TYR 657 HE1 TYR 657 -0.465 -6.686 -11.391 40 HH TYR 657 HH TYR 657 1.355 -8.251 -9.022 41 H ARG 658 HN ARG 658 -7.275 -6.728 -11.256 42 HA ARG 658 HA ARG 658 -9.503 -8.577 -10.632 43 HB2 ARG 658 HB2 ARG 658 -9.860 -5.733 -11.696 44 HB3 ARG 658 HB1 ARG 658 -11.065 -6.785 -10.975 45 HG2 ARG 658 HG2 ARG 658 -10.688 -5.183 -9.313 46 HG3 ARG 658 HG1 ARG 658 -9.697 -6.539 -8.778 47 HD2 ARG 658 HD2 ARG 658 -7.707 -5.430 -9.796 48 HD3 ARG 658 HD1 ARG 658 -8.725 -4.060 -10.247 49 HE ARG 658 HE ARG 658 -8.274 -4.881 -7.433 50 HH11 ARG 658 HH11 ARG 658 -8.512 -2.312 -9.809 51 HH12 ARG 658 HH12 ARG 658 -8.083 -1.070 -8.676 52 HH21 ARG 658 HH21 ARG 658 -7.674 -3.258 -5.979 53 HH22 ARG 658 HH22 ARG 658 -7.594 -1.605 -6.506 54 H PHE 659 HN PHE 659 -8.968 -10.037 -12.238 55 HA PHE 659 HA PHE 659 -8.536 -9.075 -14.996 56 HB2 PHE 659 HB2 PHE 659 -7.524 -11.526 -15.216 57 HB3 PHE 659 HB1 PHE 659 -6.585 -10.206 -14.542 58 HD1 PHE 659 HD1 PHE 659 -8.820 -13.029 -13.454 59 HD2 PHE 659 HD2 PHE 659 -5.506 -10.513 -12.500 60 HE1 PHE 659 HE1 PHE 659 -8.390 -14.345 -11.422 61 HE2 PHE 659 HE2 PHE 659 -5.084 -11.836 -10.475 62 HZ PHE 659 HZ PHE 659 -6.527 -13.751 -9.930 63 H GLU 660 HN GLU 660 -11.166 -9.456 -13.836 64 HA GLU 660 HA GLU 660 -12.274 -11.800 -15.201 65 HB2 GLU 660 HB2 GLU 660 -13.683 -9.703 -13.481 66 HB3 GLU 660 HB1 GLU 660 -14.395 -11.190 -14.087 67 HG2 GLU 660 HG2 GLU 660 -13.923 -11.612 -11.820 68 HG3 GLU 660 HG1 GLU 660 -12.660 -12.451 -12.713 69 H CYS 661 HN CYS 661 -14.072 -11.600 -16.716 70 HA CYS 661 HA CYS 661 -13.738 -9.632 -18.724 71 HB2 CYS 661 HB2 CYS 661 -14.698 -11.915 -19.133 72 HB3 CYS 661 HB1 CYS 661 -16.196 -11.380 -18.359 73 H ILE 662 HN ILE 662 -15.056 -7.905 -19.390 74 HA ILE 662 HA ILE 662 -15.945 -6.197 -17.328 75 HB ILE 662 HB ILE 662 -16.659 -4.642 -19.149 76 HG12 ILE 662 HG12 ILE 662 -15.851 -6.900 -21.056 77 HG13 ILE 662 HG11 ILE 662 -17.506 -6.380 -20.762 78 HG21 ILE 662 HG21 ILE 662 -14.416 -4.280 -20.111 79 HG22 ILE 662 HG22 ILE 662 -13.916 -5.890 -19.590 80 HG23 ILE 662 HG23 ILE 662 -14.317 -4.658 -18.390 81 HD11 ILE 662 HD11 ILE 662 -15.327 -4.712 -22.014 82 HD12 ILE 662 HD12 ILE 662 -16.998 -4.203 -21.748 83 HD13 ILE 662 HD13 ILE 662 -16.641 -5.525 -22.858 84 H CYS 663 HN CYS 663 -17.791 -8.533 -19.197 85 HA CYS 663 HA CYS 663 -20.377 -7.412 -18.428 86 HB2 CYS 663 HB2 CYS 663 -21.396 -9.311 -19.559 87 HB3 CYS 663 HB1 CYS 663 -20.093 -8.700 -20.572 88 H GLY 664 HN GLY 664 -18.049 -9.547 -17.060 89 HA2 GLY 664 HA2 GLY 664 -17.877 -10.495 -14.985 90 HA3 GLY 664 HA1 GLY 664 -19.363 -9.684 -14.541 91 H GLU 665 HN GLU 665 -19.586 -11.739 -17.281 92 HA GLU 665 HA GLU 665 -21.342 -13.582 -15.888 93 HB2 GLU 665 HB2 GLU 665 -20.524 -13.305 -18.806 94 HB3 GLU 665 HB1 GLU 665 -21.609 -14.566 -18.230 95 HG2 GLU 665 HG2 GLU 665 -22.143 -11.593 -17.920 96 HG3 GLU 665 HG1 GLU 665 -22.740 -12.576 -19.256 97 H LEU 666 HN LEU 666 -18.777 -14.293 -18.263 98 HA LEU 666 HA LEU 666 -17.584 -16.360 -16.530 99 HB2 LEU 666 HB2 LEU 666 -18.391 -16.794 -19.451 100 HB3 LEU 666 HB1 LEU 666 -17.480 -17.932 -18.467 101 HG LEU 666 HG LEU 666 -20.386 -17.138 -18.000 102 HD11 LEU 666 HD11 LEU 666 -19.245 -19.727 -19.118 103 HD12 LEU 666 HD12 LEU 666 -20.123 -18.495 -20.029 104 HD13 LEU 666 HD13 LEU 666 -20.947 -19.398 -18.764 105 HD21 LEU 666 HD21 LEU 666 -20.420 -18.985 -16.350 106 HD22 LEU 666 HD22 LEU 666 -19.303 -17.704 -15.886 107 HD23 LEU 666 HD23 LEU 666 -18.679 -19.208 -16.570 108 H ASP 667 HN ASP 667 -15.543 -17.219 -17.702 109 HA ASP 667 HA ASP 667 -14.377 -15.414 -19.724 110 HB2 ASP 667 HB2 ASP 667 -12.931 -16.423 -17.227 111 HB3 ASP 667 HB1 ASP 667 -12.107 -15.698 -18.607 112 H GLN 668 HN GLN 668 -15.741 -18.127 -19.459 113 HA GLN 668 HA GLN 668 -13.716 -19.898 -20.700 114 HB2 GLN 668 HB2 GLN 668 -16.495 -20.578 -19.610 115 HB3 GLN 668 HB1 GLN 668 -15.374 -21.733 -20.322 116 HG2 GLN 668 HG2 GLN 668 -15.217 -22.050 -17.988 117 HG3 GLN 668 HG1 GLN 668 -13.765 -21.155 -18.433 118 HE21 GLN 668 HE21 GLN 668 -13.417 -20.249 -16.419 119 HE22 GLN 668 HE22 GLN 668 -14.463 -19.086 -15.695 120 H ILE 669 HN ILE 669 -14.412 -21.166 -22.576 121 HA ILE 669 HA ILE 669 -15.781 -19.690 -24.625 122 HB ILE 669 HB ILE 669 -14.908 -22.628 -24.599 123 HG12 ILE 669 HG12 ILE 669 -13.411 -20.197 -25.678 124 HG13 ILE 669 HG11 ILE 669 -13.018 -21.050 -24.191 125 HG21 ILE 669 HG21 ILE 669 -16.536 -22.217 -26.400 126 HG22 ILE 669 HG22 ILE 669 -14.936 -22.519 -27.073 127 HG23 ILE 669 HG23 ILE 669 -15.565 -20.870 -26.999 128 HD11 ILE 669 HD11 ILE 669 -12.834 -22.164 -26.989 129 HD12 ILE 669 HD12 ILE 669 -12.479 -23.056 -25.508 130 HD13 ILE 669 HD13 ILE 669 -11.500 -21.660 -25.952 131 H ASP 670 HN ASP 670 -16.767 -21.783 -22.133 132 HA ASP 670 HA ASP 670 -18.640 -23.503 -22.671 133 HB2 ASP 670 HB2 ASP 670 -18.111 -22.930 -20.392 134 HB3 ASP 670 HB1 ASP 670 -18.827 -21.330 -20.559 135 H ARG 671 HN ARG 671 -19.856 -20.139 -22.189 136 HA ARG 671 HA ARG 671 -22.146 -20.726 -23.939 137 HB2 ARG 671 HB2 ARG 671 -21.527 -18.256 -22.262 138 HB3 ARG 671 HB1 ARG 671 -22.966 -18.458 -23.254 139 HG2 ARG 671 HG2 ARG 671 -22.218 -20.007 -20.750 140 HG3 ARG 671 HG1 ARG 671 -23.563 -18.880 -20.969 141 HD2 ARG 671 HD2 ARG 671 -23.241 -21.643 -22.195 142 HD3 ARG 671 HD1 ARG 671 -24.463 -21.116 -21.034 143 HE ARG 671 HE ARG 671 -25.099 -19.519 -23.011 144 HH11 ARG 671 HH11 ARG 671 -24.202 -22.914 -23.276 145 HH12 ARG 671 HH12 ARG 671 -25.099 -23.157 -24.737 146 HH21 ARG 671 HH21 ARG 671 -26.224 -19.860 -24.956 147 HH22 ARG 671 HH22 ARG 671 -26.237 -21.433 -25.686 148 H LYS 672 HN LYS 672 -19.909 -17.971 -23.591 149 HA LYS 672 HA LYS 672 -19.804 -17.663 -26.538 150 HB2 LYS 672 HB2 LYS 672 -19.235 -15.549 -24.401 151 HB3 LYS 672 HB1 LYS 672 -19.270 -15.301 -26.146 152 HG2 LYS 672 HG2 LYS 672 -21.634 -16.021 -24.387 153 HG3 LYS 672 HG1 LYS 672 -21.294 -14.428 -25.064 154 HD2 LYS 672 HD2 LYS 672 -21.932 -16.941 -26.665 155 HD3 LYS 672 HD1 LYS 672 -23.073 -15.644 -26.308 156 HE2 LYS 672 HE2 LYS 672 -21.693 -14.068 -27.619 157 HE3 LYS 672 HE1 LYS 672 -20.527 -15.353 -27.942 158 HZ1 LYS 672 HZ1 LYS 672 -22.230 -16.566 -29.127 159 HZ2 LYS 672 HZ2 LYS 672 -22.029 -15.024 -29.792 160 HZ3 LYS 672 HZ3 LYS 672 -23.361 -15.352 -28.806 161 HA PRO 673 HA PRO 673 -15.425 -18.713 -26.239 162 HB2 PRO 673 HB2 PRO 673 -14.397 -17.087 -28.282 163 HB3 PRO 673 HB1 PRO 673 -15.075 -18.689 -28.483 164 HG2 PRO 673 HG2 PRO 673 -16.311 -16.037 -29.001 165 HG3 PRO 673 HG1 PRO 673 -16.562 -17.578 -29.844 166 HD2 PRO 673 HD2 PRO 673 -18.353 -16.508 -28.051 167 HD3 PRO 673 HD1 PRO 673 -18.218 -18.245 -28.361 168 H ARG 674 HN ARG 674 -13.259 -17.713 -25.880 169 HA ARG 674 HA ARG 674 -13.483 -15.175 -24.396 170 HB2 ARG 674 HB2 ARG 674 -11.895 -16.264 -22.681 171 HB3 ARG 674 HB1 ARG 674 -13.577 -16.754 -22.663 172 HG2 ARG 674 HG2 ARG 674 -12.204 -18.696 -22.312 173 HG3 ARG 674 HG1 ARG 674 -12.974 -18.834 -23.887 174 HD2 ARG 674 HD2 ARG 674 -10.899 -18.198 -24.992 175 HD3 ARG 674 HD1 ARG 674 -10.125 -17.916 -23.433 176 HE ARG 674 HE ARG 674 -10.971 -20.550 -23.392 177 HH11 ARG 674 HH11 ARG 674 -8.784 -18.651 -25.393 178 HH12 ARG 674 HH12 ARG 674 -7.741 -19.990 -25.732 179 HH21 ARG 674 HH21 ARG 674 -9.579 -22.292 -23.846 180 HH22 ARG 674 HH22 ARG 674 -8.195 -22.056 -24.867 181 H VAL 675 HN VAL 675 -11.482 -14.079 -23.947 182 HA VAL 675 HA VAL 675 -9.149 -14.779 -25.593 183 HB VAL 675 HB VAL 675 -8.763 -12.321 -26.097 184 HG11 VAL 675 HG11 VAL 675 -10.354 -12.176 -27.980 185 HG12 VAL 675 HG12 VAL 675 -11.288 -13.503 -27.284 186 HG13 VAL 675 HG13 VAL 675 -9.639 -13.785 -27.836 187 HG21 VAL 675 HG21 VAL 675 -10.654 -10.732 -26.000 188 HG22 VAL 675 HG22 VAL 675 -10.223 -11.299 -24.385 189 HG23 VAL 675 HG23 VAL 675 -11.648 -11.951 -25.195 190 H GLN 676 HN GLN 676 -7.532 -15.105 -24.256 191 HA GLN 676 HA GLN 676 -7.309 -13.824 -21.636 192 HB2 GLN 676 HB2 GLN 676 -5.749 -16.024 -23.050 193 HB3 GLN 676 HB1 GLN 676 -5.097 -15.255 -21.616 194 HG2 GLN 676 HG2 GLN 676 -6.160 -17.354 -21.053 195 HG3 GLN 676 HG1 GLN 676 -7.015 -16.008 -20.302 196 HE21 GLN 676 HE21 GLN 676 -9.157 -15.640 -20.845 197 HE22 GLN 676 HE22 GLN 676 -10.068 -16.707 -21.848 198 H CYS 677 HN CYS 677 -6.620 -11.735 -21.766 199 HA CYS 677 HA CYS 677 -4.883 -10.778 -23.859 200 HB2 CYS 677 HB2 CYS 677 -6.592 -9.282 -22.931 201 HB3 CYS 677 HB1 CYS 677 -5.856 -9.389 -21.335 202 H LEU 678 HN LEU 678 -3.033 -11.965 -23.676 203 HA LEU 678 HA LEU 678 -1.470 -12.473 -21.413 204 HB2 LEU 678 HB2 LEU 678 0.349 -12.965 -23.091 205 HB3 LEU 678 HB1 LEU 678 -1.180 -13.760 -23.391 206 HG LEU 678 HG LEU 678 -1.526 -11.586 -25.002 207 HD11 LEU 678 HD11 LEU 678 0.651 -10.582 -24.529 208 HD12 LEU 678 HD12 LEU 678 0.517 -11.050 -26.222 209 HD13 LEU 678 HD13 LEU 678 1.466 -12.041 -25.112 210 HD21 LEU 678 HD21 LEU 678 -0.924 -12.983 -26.925 211 HD22 LEU 678 HD22 LEU 678 -1.797 -13.930 -25.721 212 HD23 LEU 678 HD23 LEU 678 -0.045 -14.096 -25.869 213 H LYS 679 HN LYS 679 -1.757 -9.556 -23.239 214 HA LYS 679 HA LYS 679 0.652 -8.258 -22.666 215 HB2 LYS 679 HB2 LYS 679 -0.930 -7.539 -24.413 216 HB3 LYS 679 HB1 LYS 679 -2.111 -7.096 -23.190 217 HG2 LYS 679 HG2 LYS 679 -0.846 -5.216 -22.476 218 HG3 LYS 679 HG1 LYS 679 0.613 -5.773 -23.295 219 HD2 LYS 679 HD2 LYS 679 -1.927 -4.876 -24.727 220 HD3 LYS 679 HD1 LYS 679 -0.533 -3.830 -24.435 221 HE2 LYS 679 HE2 LYS 679 -0.525 -6.386 -26.082 222 HE3 LYS 679 HE1 LYS 679 -0.513 -4.747 -26.728 223 HZ1 LYS 679 HZ1 LYS 679 1.705 -5.684 -26.720 224 HZ2 LYS 679 HZ2 LYS 679 1.621 -5.980 -25.059 225 HZ3 LYS 679 HZ3 LYS 679 1.634 -4.390 -25.636 226 H CYS 680 HN CYS 680 -2.247 -8.656 -20.626 227 HA CYS 680 HA CYS 680 -0.873 -7.352 -18.390 228 HB2 CYS 680 HB2 CYS 680 -2.577 -5.714 -17.920 229 HB3 CYS 680 HB1 CYS 680 -2.176 -5.529 -19.623 230 H HIS 681 HN HIS 681 -2.074 -10.058 -19.231 231 HA HIS 681 HA HIS 681 -3.094 -11.865 -18.337 232 HB2 HIS 681 HB2 HIS 681 -2.607 -10.379 -15.718 233 HB3 HIS 681 HB1 HIS 681 -3.108 -12.062 -15.821 234 HD1 HIS 681 HD1 HIS 681 -1.304 -13.800 -16.220 235 HD2 HIS 681 HD2 HIS 681 0.084 -9.903 -16.638 236 HE1 HIS 681 HE1 HIS 681 1.197 -13.986 -16.366 237 HE2 HIS 681 HE2 HIS 681 2.003 -11.632 -16.735 238 H LEU 682 HN LEU 682 -4.902 -9.760 -19.259 239 HA LEU 682 HA LEU 682 -7.111 -9.698 -17.292 240 HB2 LEU 682 HB2 LEU 682 -6.259 -7.587 -18.517 241 HB3 LEU 682 HB1 LEU 682 -6.973 -8.242 -19.971 242 HG LEU 682 HG LEU 682 -8.349 -6.466 -18.897 243 HD11 LEU 682 HD11 LEU 682 -9.487 -8.127 -20.304 244 HD12 LEU 682 HD12 LEU 682 -10.526 -7.495 -19.030 245 HD13 LEU 682 HD13 LEU 682 -9.813 -9.103 -18.869 246 HD21 LEU 682 HD21 LEU 682 -9.538 -6.846 -16.813 247 HD22 LEU 682 HD22 LEU 682 -7.794 -6.894 -16.563 248 HD23 LEU 682 HD23 LEU 682 -8.721 -8.397 -16.615 249 H TRP 683 HN TRP 683 -8.488 -11.395 -17.453 250 HA TRP 683 HA TRP 683 -8.766 -12.865 -19.968 251 HB2 TRP 683 HB2 TRP 683 -10.403 -13.570 -17.523 252 HB3 TRP 683 HB1 TRP 683 -9.744 -14.629 -18.760 253 HD1 TRP 683 HD1 TRP 683 -9.454 -14.453 -15.343 254 HE1 TRP 683 HE1 TRP 683 -7.149 -14.978 -14.391 255 HE3 TRP 683 HE3 TRP 683 -6.627 -13.821 -19.579 256 HZ2 TRP 683 HZ2 TRP 683 -4.500 -15.132 -15.260 257 HZ3 TRP 683 HZ3 TRP 683 -4.198 -14.186 -19.417 258 HH2 TRP 683 HH2 TRP 683 -3.160 -14.828 -17.297 259 H GLN 684 HN GLN 684 -10.637 -12.890 -21.166 260 HA GLN 684 HA GLN 684 -12.966 -11.287 -20.423 261 HB2 GLN 684 HB2 GLN 684 -11.060 -9.795 -21.460 262 HB3 GLN 684 HB1 GLN 684 -11.431 -10.607 -22.967 263 HG2 GLN 684 HG2 GLN 684 -12.826 -8.855 -23.298 264 HG3 GLN 684 HG1 GLN 684 -13.931 -9.744 -22.260 265 HE21 GLN 684 HE21 GLN 684 -12.391 -9.161 -19.802 266 HE22 GLN 684 HE22 GLN 684 -12.669 -7.494 -19.457 267 H HIS 685 HN HIS 685 -14.595 -11.379 -22.384 268 HA HIS 685 HA HIS 685 -14.464 -13.940 -23.800 269 HB2 HIS 685 HB2 HIS 685 -16.669 -11.872 -23.553 270 HB3 HIS 685 HB1 HIS 685 -16.780 -13.219 -24.677 271 HD2 HIS 685 HD2 HIS 685 -16.254 -15.808 -23.058 272 HE1 HIS 685 HE1 HIS 685 -18.738 -14.133 -20.069 273 HE2 HIS 685 HE2 HIS 685 -17.908 -16.287 -21.120 274 H ALA 686 HN ALA 686 -14.274 -14.126 -26.024 275 HA ALA 686 HA ALA 686 -13.061 -12.130 -27.589 276 HB1 ALA 686 HB1 ALA 686 -12.930 -14.541 -28.104 277 HB2 ALA 686 HB2 ALA 686 -13.550 -13.644 -29.493 278 HB3 ALA 686 HB3 ALA 686 -14.656 -14.570 -28.472 279 H LYS 687 HN LYS 687 -16.437 -13.227 -27.374 280 HA LYS 687 HA LYS 687 -17.409 -11.356 -29.344 281 HB2 LYS 687 HB2 LYS 687 -18.891 -13.283 -27.513 282 HB3 LYS 687 HB1 LYS 687 -19.583 -12.439 -28.894 283 HG2 LYS 687 HG2 LYS 687 -17.295 -14.431 -29.069 284 HG3 LYS 687 HG1 LYS 687 -18.986 -14.839 -29.361 285 HD2 LYS 687 HD2 LYS 687 -17.534 -12.692 -30.948 286 HD3 LYS 687 HD1 LYS 687 -17.476 -14.393 -31.418 287 HE2 LYS 687 HE2 LYS 687 -19.836 -14.458 -31.774 288 HE3 LYS 687 HE1 LYS 687 -20.073 -12.869 -31.036 289 HZ1 LYS 687 HZ1 LYS 687 -18.835 -11.889 -32.863 290 HZ2 LYS 687 HZ2 LYS 687 -20.162 -12.753 -33.437 291 HZ3 LYS 687 HZ3 LYS 687 -18.616 -13.407 -33.564 292 H CYS 688 HN CYS 688 -16.479 -10.753 -26.270 293 HA CYS 688 HA CYS 688 -18.482 -8.633 -25.820 294 HB2 CYS 688 HB2 CYS 688 -16.267 -9.744 -24.054 295 HB3 CYS 688 HB1 CYS 688 -17.134 -8.260 -23.659 296 H VAL 689 HN VAL 689 -15.557 -9.130 -27.442 297 HA VAL 689 HA VAL 689 -14.785 -6.273 -27.299 298 HB VAL 689 HB VAL 689 -12.403 -6.845 -27.332 299 HG11 VAL 689 HG11 VAL 689 -12.172 -7.795 -25.056 300 HG12 VAL 689 HG12 VAL 689 -13.846 -8.351 -25.114 301 HG13 VAL 689 HG13 VAL 689 -13.491 -6.623 -25.133 302 HG21 VAL 689 HG21 VAL 689 -13.233 -9.772 -27.228 303 HG22 VAL 689 HG22 VAL 689 -11.580 -9.176 -27.051 304 HG23 VAL 689 HG23 VAL 689 -12.437 -8.962 -28.577 305 H ASN 690 HN ASN 690 -16.371 -7.999 -29.253 306 HA ASN 690 HA ASN 690 -16.839 -7.991 -31.475 307 HB2 ASN 690 HB2 ASN 690 -14.690 -5.827 -31.662 308 HB3 ASN 690 HB1 ASN 690 -15.878 -6.191 -32.907 309 HD21 ASN 690 HD21 ASN 690 -15.349 -3.723 -31.338 310 HD22 ASN 690 HD22 ASN 690 -16.859 -3.297 -30.614 311 H TYR 691 HN TYR 691 -15.154 -9.943 -30.584 312 HA TYR 691 HA TYR 691 -13.199 -10.481 -32.758 313 HB2 TYR 691 HB2 TYR 691 -12.234 -9.643 -30.515 314 HB3 TYR 691 HB1 TYR 691 -12.860 -11.101 -29.770 315 HD1 TYR 691 HD1 TYR 691 -11.830 -13.341 -30.431 316 HD2 TYR 691 HD2 TYR 691 -10.134 -9.632 -31.671 317 HE1 TYR 691 HE1 TYR 691 -9.699 -14.456 -30.867 318 HE2 TYR 691 HE2 TYR 691 -8.002 -10.762 -32.115 319 HH TYR 691 HH TYR 691 -7.660 -14.121 -32.245 320 H ASP 692 HN ASP 692 -13.222 -12.712 -33.415 321 HA ASP 692 HA ASP 692 -15.306 -14.435 -32.160 322 HB2 ASP 692 HB2 ASP 692 -14.383 -14.210 -35.051 323 HB3 ASP 692 HB1 ASP 692 -15.164 -15.674 -34.467 324 H GLU 693 HN GLU 693 -14.895 -16.738 -32.074 325 HA GLU 693 HA GLU 693 -12.223 -17.417 -31.321 326 HB2 GLU 693 HB2 GLU 693 -13.006 -19.698 -30.945 327 HB3 GLU 693 HB1 GLU 693 -14.114 -18.534 -30.261 328 HG2 GLU 693 HG2 GLU 693 -15.636 -19.974 -31.152 329 HG3 GLU 693 HG1 GLU 693 -15.428 -18.907 -32.539 330 H LYS 694 HN LYS 694 -13.932 -17.478 -34.265 331 HA LYS 694 HA LYS 694 -12.538 -19.351 -35.812 332 HB2 LYS 694 HB2 LYS 694 -13.921 -16.777 -36.694 333 HB3 LYS 694 HB1 LYS 694 -13.363 -18.024 -37.794 334 HG2 LYS 694 HG2 LYS 694 -15.668 -18.425 -37.623 335 HG3 LYS 694 HG1 LYS 694 -14.959 -19.626 -36.543 336 HD2 LYS 694 HD2 LYS 694 -15.488 -18.100 -34.606 337 HD3 LYS 694 HD1 LYS 694 -16.288 -17.003 -35.734 338 HE2 LYS 694 HE2 LYS 694 -17.105 -19.876 -35.158 339 HE3 LYS 694 HE1 LYS 694 -17.906 -18.427 -34.545 340 HZ1 LYS 694 HZ1 LYS 694 -17.690 -19.222 -37.399 341 HZ2 LYS 694 HZ2 LYS 694 -18.437 -17.816 -36.832 342 HZ3 LYS 694 HZ3 LYS 694 -19.071 -19.330 -36.433 343 H ASN 695 HN ASN 695 -11.672 -16.136 -34.767 344 HA ASN 695 HA ASN 695 -9.091 -16.331 -36.198 345 HB2 ASN 695 HB2 ASN 695 -8.971 -13.837 -36.049 346 HB3 ASN 695 HB1 ASN 695 -10.304 -14.415 -37.032 347 HD21 ASN 695 HD21 ASN 695 -9.425 -12.811 -34.080 348 HD22 ASN 695 HD22 ASN 695 -11.005 -12.233 -33.693 349 H LEU 696 HN LEU 696 -10.410 -16.744 -33.179 350 HA LEU 696 HA LEU 696 -8.388 -15.733 -31.439 351 HB2 LEU 696 HB2 LEU 696 -10.551 -16.532 -30.585 352 HB3 LEU 696 HB1 LEU 696 -10.230 -18.146 -31.183 353 HG LEU 696 HG LEU 696 -8.313 -18.286 -29.496 354 HD11 LEU 696 HD11 LEU 696 -9.587 -15.784 -28.353 355 HD12 LEU 696 HD12 LEU 696 -7.984 -15.896 -29.087 356 HD13 LEU 696 HD13 LEU 696 -8.327 -16.757 -27.590 357 HD21 LEU 696 HD21 LEU 696 -10.468 -19.413 -29.113 358 HD22 LEU 696 HD22 LEU 696 -11.115 -17.954 -28.359 359 HD23 LEU 696 HD23 LEU 696 -9.781 -18.826 -27.599 360 H LYS 697 HN LYS 697 -8.799 -18.783 -33.167 361 HA LYS 697 HA LYS 697 -6.598 -20.188 -32.050 362 HB2 LYS 697 HB2 LYS 697 -8.553 -20.646 -34.250 363 HB3 LYS 697 HB1 LYS 697 -7.027 -21.488 -34.466 364 HG2 LYS 697 HG2 LYS 697 -8.574 -22.978 -33.381 365 HG3 LYS 697 HG1 LYS 697 -7.327 -22.535 -32.215 366 HD2 LYS 697 HD2 LYS 697 -9.314 -22.389 -30.951 367 HD3 LYS 697 HD1 LYS 697 -9.003 -20.715 -31.413 368 HE2 LYS 697 HE2 LYS 697 -11.334 -21.065 -31.761 369 HE3 LYS 697 HE1 LYS 697 -10.597 -21.079 -33.363 370 HZ1 LYS 697 HZ1 LYS 697 -11.321 -23.494 -31.807 371 HZ2 LYS 697 HZ2 LYS 697 -10.686 -23.466 -33.372 372 HZ3 LYS 697 HZ3 LYS 697 -12.225 -22.833 -33.075 373 H ILE 698 HN ILE 698 -6.569 -17.669 -34.354 374 HA ILE 698 HA ILE 698 -3.902 -18.466 -35.368 375 HB ILE 698 HB ILE 698 -4.499 -17.104 -37.482 376 HG12 ILE 698 HG12 ILE 698 -7.295 -17.503 -36.342 377 HG13 ILE 698 HG11 ILE 698 -6.513 -15.962 -36.657 378 HG21 ILE 698 HG21 ILE 698 -5.980 -19.714 -36.984 379 HG22 ILE 698 HG22 ILE 698 -4.294 -19.564 -37.476 380 HG23 ILE 698 HG23 ILE 698 -5.577 -19.044 -38.568 381 HD11 ILE 698 HD11 ILE 698 -7.437 -17.969 -38.708 382 HD12 ILE 698 HD12 ILE 698 -6.590 -16.464 -39.078 383 HD13 ILE 698 HD13 ILE 698 -8.184 -16.420 -38.325 384 H LYS 699 HN LYS 699 -5.918 -15.466 -35.013 385 HA LYS 699 HA LYS 699 -3.564 -13.793 -35.098 386 HB2 LYS 699 HB2 LYS 699 -6.515 -13.210 -34.674 387 HB3 LYS 699 HB1 LYS 699 -5.292 -11.943 -34.731 388 HG2 LYS 699 HG2 LYS 699 -4.788 -12.386 -37.022 389 HG3 LYS 699 HG1 LYS 699 -5.678 -13.905 -36.996 390 HD2 LYS 699 HD2 LYS 699 -6.970 -12.189 -38.175 391 HD3 LYS 699 HD1 LYS 699 -7.784 -12.695 -36.690 392 HE2 LYS 699 HE2 LYS 699 -6.969 -10.665 -35.543 393 HE3 LYS 699 HE1 LYS 699 -6.118 -10.168 -37.008 394 HZ1 LYS 699 HZ1 LYS 699 -8.216 -9.021 -36.742 395 HZ2 LYS 699 HZ2 LYS 699 -9.056 -10.486 -36.740 396 HZ3 LYS 699 HZ3 LYS 699 -8.243 -9.980 -38.134 397 HA PRO 700 HA PRO 700 -2.919 -13.031 -30.612 398 HB2 PRO 700 HB2 PRO 700 -2.381 -10.285 -30.804 399 HB3 PRO 700 HB1 PRO 700 -1.189 -11.571 -31.034 400 HG2 PRO 700 HG2 PRO 700 -2.797 -10.080 -33.109 401 HG3 PRO 700 HG1 PRO 700 -1.059 -10.476 -33.094 402 HD2 PRO 700 HD2 PRO 700 -2.762 -11.911 -34.554 403 HD3 PRO 700 HD1 PRO 700 -1.462 -12.734 -33.657 404 H PHE 701 HN PHE 701 -4.005 -12.061 -28.894 405 HA PHE 701 HA PHE 701 -6.496 -10.599 -29.423 406 HB2 PHE 701 HB2 PHE 701 -7.602 -12.220 -27.712 407 HB3 PHE 701 HB1 PHE 701 -7.409 -12.760 -29.368 408 HD1 PHE 701 HD1 PHE 701 -5.546 -14.373 -29.935 409 HD2 PHE 701 HD2 PHE 701 -6.595 -13.429 -25.895 410 HE1 PHE 701 HE1 PHE 701 -4.402 -16.400 -29.166 411 HE2 PHE 701 HE2 PHE 701 -5.449 -15.479 -25.136 412 HZ PHE 701 HZ PHE 701 -4.348 -16.953 -26.770 413 H TYR 702 HN TYR 702 -6.790 -9.029 -28.053 414 HA TYR 702 HA TYR 702 -5.544 -9.021 -25.386 415 HB2 TYR 702 HB2 TYR 702 -5.447 -6.644 -27.306 416 HB3 TYR 702 HB1 TYR 702 -4.772 -6.701 -25.683 417 HD1 TYR 702 HD1 TYR 702 -2.931 -8.612 -25.313 418 HD2 TYR 702 HD2 TYR 702 -3.987 -7.006 -29.126 419 HE1 TYR 702 HE1 TYR 702 -0.774 -9.350 -26.224 420 HE2 TYR 702 HE2 TYR 702 -1.827 -7.749 -30.038 421 HH TYR 702 HH TYR 702 0.235 -9.904 -28.391 422 H CYS 703 HN CYS 703 -6.558 -7.499 -23.950 423 HA CYS 703 HA CYS 703 -9.409 -7.221 -24.239 424 HB2 CYS 703 HB2 CYS 703 -9.406 -6.489 -21.971 425 HB3 CYS 703 HB1 CYS 703 -8.105 -7.673 -22.051 426 HA PRO 704 HA PRO 704 -9.669 -3.427 -26.359 427 HB2 PRO 704 HB2 PRO 704 -11.753 -2.055 -25.148 428 HB3 PRO 704 HB1 PRO 704 -11.977 -3.479 -26.173 429 HG2 PRO 704 HG2 PRO 704 -11.829 -3.321 -23.158 430 HG3 PRO 704 HG1 PRO 704 -13.012 -4.181 -24.172 431 HD2 PRO 704 HD2 PRO 704 -10.977 -5.490 -23.036 432 HD3 PRO 704 HD1 PRO 704 -11.501 -5.894 -24.685 433 H HIS 705 HN HIS 705 -9.437 -2.946 -22.840 434 HA HIS 705 HA HIS 705 -8.833 -0.195 -22.776 435 HB2 HIS 705 HB2 HIS 705 -9.426 -1.534 -20.748 436 HB3 HIS 705 HB1 HIS 705 -7.863 -2.338 -20.833 437 HD1 HIS 705 HD1 HIS 705 -9.114 1.269 -20.597 438 HD2 HIS 705 HD2 HIS 705 -6.059 -1.145 -19.149 439 HE1 HIS 705 HE1 HIS 705 -7.767 2.743 -19.072 440 HE2 HIS 705 HE2 HIS 705 -5.824 1.310 -18.351 441 H CYS 706 HN CYS 706 -6.746 -2.999 -23.360 442 HA CYS 706 HA CYS 706 -4.249 -1.615 -23.340 443 HB2 CYS 706 HB2 CYS 706 -5.106 -4.289 -24.443 444 HB3 CYS 706 HB1 CYS 706 -3.484 -3.669 -24.756 445 H LEU 707 HN LEU 707 -6.563 -2.384 -25.951 446 HA LEU 707 HA LEU 707 -4.967 -1.430 -28.102 447 HB2 LEU 707 HB2 LEU 707 -7.963 -1.836 -27.831 448 HB3 LEU 707 HB1 LEU 707 -7.275 -1.123 -29.279 449 HG LEU 707 HG LEU 707 -5.898 -3.219 -29.586 450 HD11 LEU 707 HD11 LEU 707 -6.551 -5.270 -28.437 451 HD12 LEU 707 HD12 LEU 707 -7.663 -4.364 -27.407 452 HD13 LEU 707 HD13 LEU 707 -5.922 -4.080 -27.299 453 HD21 LEU 707 HD21 LEU 707 -7.741 -4.547 -30.519 454 HD22 LEU 707 HD22 LEU 707 -7.946 -2.836 -30.886 455 HD23 LEU 707 HD23 LEU 707 -8.914 -3.585 -29.613 456 H VAL 708 HN VAL 708 -7.333 0.127 -25.987 457 HA VAL 708 HA VAL 708 -7.286 2.677 -27.316 458 HB VAL 708 HB VAL 708 -8.378 1.986 -24.550 459 HG11 VAL 708 HG11 VAL 708 -8.081 4.412 -24.826 460 HG12 VAL 708 HG12 VAL 708 -9.797 4.008 -24.827 461 HG13 VAL 708 HG13 VAL 708 -8.975 4.372 -26.347 462 HG21 VAL 708 HG21 VAL 708 -9.834 2.040 -27.226 463 HG22 VAL 708 HG22 VAL 708 -10.587 1.776 -25.651 464 HG23 VAL 708 HG23 VAL 708 -9.442 0.596 -26.289 465 H ALA 709 HN ALA 709 -5.433 1.174 -24.734 466 HA ALA 709 HA ALA 709 -4.173 3.576 -23.767 467 HB1 ALA 709 HB1 ALA 709 -2.614 2.059 -22.610 468 HB2 ALA 709 HB2 ALA 709 -3.247 0.685 -23.523 469 HB3 ALA 709 HB3 ALA 709 -4.284 1.538 -22.377 470 H MET 710 HN MET 710 -3.434 1.163 -26.244 471 HA MET 710 HA MET 710 -0.822 2.232 -26.890 472 HB2 MET 710 HB2 MET 710 -2.548 0.098 -28.231 473 HB3 MET 710 HB1 MET 710 -0.932 0.527 -28.778 474 HG2 MET 710 HG2 MET 710 0.054 -0.293 -26.736 475 HG3 MET 710 HG1 MET 710 -1.526 -0.495 -25.988 476 HE1 MET 710 HE1 MET 710 -0.043 -3.177 -29.471 477 HE2 MET 710 HE2 MET 710 0.910 -1.858 -28.790 478 HE3 MET 710 HE3 MET 710 -0.547 -1.504 -29.719 479 H GLU 711 HN GLU 711 -3.543 1.637 -29.128 480 HA GLU 711 HA GLU 711 -4.384 2.663 -30.908 481 HB2 GLU 711 HB2 GLU 711 -4.028 5.082 -29.111 482 HB3 GLU 711 HB1 GLU 711 -4.781 5.212 -30.699 483 HG2 GLU 711 HG2 GLU 711 -6.469 3.538 -30.010 484 HG3 GLU 711 HG1 GLU 711 -5.758 3.505 -28.397 485 HA PRO 712 HA PRO 712 -1.204 4.391 -33.700 486 HB2 PRO 712 HB2 PRO 712 -2.804 5.060 -35.808 487 HB3 PRO 712 HB1 PRO 712 -2.403 3.374 -35.443 488 HG2 PRO 712 HG2 PRO 712 -4.893 4.926 -34.718 489 HG3 PRO 712 HG1 PRO 712 -4.761 3.303 -35.433 490 HD2 PRO 712 HD2 PRO 712 -5.182 3.688 -32.778 491 HD3 PRO 712 HD1 PRO 712 -4.241 2.310 -33.388 492 H VAL 713 HN VAL 713 -0.497 6.502 -34.204 493 HA VAL 713 HA VAL 713 -1.820 8.732 -32.938 494 HB VAL 713 HB VAL 713 0.098 10.119 -33.839 495 HG11 VAL 713 HG11 VAL 713 1.824 9.117 -32.364 496 HG12 VAL 713 HG12 VAL 713 0.908 7.607 -32.311 497 HG13 VAL 713 HG13 VAL 713 0.227 9.075 -31.610 498 HG21 VAL 713 HG21 VAL 713 0.628 8.846 -35.892 499 HG22 VAL 713 HG22 VAL 713 1.150 7.468 -34.925 500 HG23 VAL 713 HG23 VAL 713 2.055 8.983 -34.865 501 H SER 714 HN SER 714 -3.798 8.836 -33.944 502 HA SER 714 HA SER 714 -3.895 9.451 -36.841 503 HB2 SER 714 HB2 SER 714 -4.760 7.162 -36.166 504 HB3 SER 714 HB1 SER 714 -6.016 7.961 -35.219 505 HG SER 714 HG SER 714 -5.625 8.499 -37.981 506 H THR 715 HN THR 715 -3.995 11.671 -36.680 507 HA THR 715 HA THR 715 -5.675 13.050 -34.780 508 HB THR 715 HB THR 715 -4.122 14.151 -37.160 509 HG1 THR 715 HG1 THR 715 -3.418 13.441 -34.540 510 HG21 THR 715 HG21 THR 715 -4.250 16.323 -35.994 511 HG22 THR 715 HG22 THR 715 -5.256 15.612 -34.733 512 HG23 THR 715 HG23 THR 715 -5.870 15.740 -36.383 513 H ARG 716 HN ARG 716 -7.717 13.640 -35.027 514 HA ARG 716 HA ARG 716 -9.039 13.268 -37.646 515 HB2 ARG 716 HB2 ARG 716 -10.127 12.716 -34.853 516 HB3 ARG 716 HB1 ARG 716 -11.033 12.526 -36.354 517 HG2 ARG 716 HG2 ARG 716 -8.503 11.010 -35.665 518 HG3 ARG 716 HG1 ARG 716 -10.133 10.380 -35.419 519 HD2 ARG 716 HD2 ARG 716 -10.547 10.454 -37.834 520 HD3 ARG 716 HD1 ARG 716 -8.965 11.197 -38.101 521 HE ARG 716 HE ARG 716 -7.932 9.168 -37.769 522 HH11 ARG 716 HH11 ARG 716 -11.360 8.797 -37.020 523 HH12 ARG 716 HH12 ARG 716 -11.283 7.065 -36.975 524 HH21 ARG 716 HH21 ARG 716 -7.845 6.911 -37.687 525 HH22 ARG 716 HH22 ARG 716 -9.283 5.996 -37.352 Start of MODEL 10 1 H PHE 652 HT1 PHE 652 0.406 -1.124 -0.966 2 HA PHE 652 HA PHE 652 -1.123 -1.594 0.805 3 HB2 PHE 652 HB2 PHE 652 -1.341 1.430 1.122 4 HB3 PHE 652 HB1 PHE 652 -2.213 0.216 2.053 5 HD1 PHE 652 HD2 PHE 652 -0.991 -1.157 3.759 6 HD2 PHE 652 HD1 PHE 652 0.936 2.047 1.684 7 HE1 PHE 652 HE2 PHE 652 0.803 -1.137 5.446 8 HE2 PHE 652 HE1 PHE 652 2.724 2.059 3.371 9 HZ PHE 652 HZ PHE 652 2.662 0.469 5.252 10 H ASN 653 HN ASN 653 -0.860 -0.212 -2.145 11 HA ASN 653 HA ASN 653 -3.438 0.847 -2.732 12 HB2 ASN 653 HB2 ASN 653 -1.371 -0.315 -4.652 13 HB3 ASN 653 HB1 ASN 653 -2.704 0.746 -5.094 14 HD21 ASN 653 HD21 ASN 653 -2.640 2.947 -4.366 15 HD22 ASN 653 HD22 ASN 653 -1.130 3.708 -4.004 16 H THR 654 HN THR 654 -1.958 -2.332 -3.219 17 HA THR 654 HA THR 654 -4.483 -3.727 -3.199 18 HB THR 654 HB THR 654 -4.342 -3.010 -5.609 19 HG1 THR 654 HG1 THR 654 -4.769 -5.070 -6.427 20 HG21 THR 654 HG21 THR 654 -1.868 -3.005 -5.883 21 HG22 THR 654 HG22 THR 654 -2.665 -3.993 -7.108 22 HG23 THR 654 HG23 THR 654 -1.861 -4.770 -5.743 23 H SER 655 HN SER 655 -3.845 -6.208 -3.841 24 HA SER 655 HA SER 655 -1.073 -6.891 -3.171 25 HB2 SER 655 HB2 SER 655 -2.510 -6.997 -1.053 26 HB3 SER 655 HB1 SER 655 -3.396 -8.322 -1.803 27 HG SER 655 HG SER 655 -0.578 -8.402 -1.613 28 H ASP 656 HN ASP 656 -3.671 -7.174 -5.200 29 HA ASP 656 HA ASP 656 -2.686 -9.535 -6.569 30 HB2 ASP 656 HB2 ASP 656 -4.770 -10.797 -6.479 31 HB3 ASP 656 HB1 ASP 656 -4.259 -10.462 -4.829 32 H TYR 657 HN TYR 657 -4.393 -10.000 -8.445 33 HA TYR 657 HA TYR 657 -5.412 -7.459 -9.589 34 HB2 TYR 657 HB2 TYR 657 -4.129 -9.748 -11.166 35 HB3 TYR 657 HB1 TYR 657 -4.789 -8.262 -11.844 36 HD1 TYR 657 HD1 TYR 657 -3.709 -6.009 -10.890 37 HD2 TYR 657 HD2 TYR 657 -1.792 -9.826 -10.774 38 HE1 TYR 657 HE1 TYR 657 -1.529 -4.908 -10.619 39 HE2 TYR 657 HE2 TYR 657 0.389 -8.727 -10.508 40 HH TYR 657 HH TYR 657 0.724 -5.488 -9.669 41 H ARG 658 HN ARG 658 -7.443 -7.557 -10.408 42 HA ARG 658 HA ARG 658 -9.007 -10.030 -9.975 43 HB2 ARG 658 HB2 ARG 658 -10.059 -7.168 -10.231 44 HB3 ARG 658 HB1 ARG 658 -10.985 -8.593 -9.786 45 HG2 ARG 658 HG2 ARG 658 -10.649 -7.517 -7.731 46 HG3 ARG 658 HG1 ARG 658 -9.402 -8.765 -7.741 47 HD2 ARG 658 HD2 ARG 658 -7.833 -6.918 -8.660 48 HD3 ARG 658 HD1 ARG 658 -9.092 -5.781 -8.165 49 HE ARG 658 HE ARG 658 -8.065 -7.674 -6.173 50 HH11 ARG 658 HH11 ARG 658 -8.085 -4.353 -7.318 51 HH12 ARG 658 HH12 ARG 658 -7.355 -3.731 -5.874 52 HH21 ARG 658 HH21 ARG 658 -7.061 -6.863 -4.330 53 HH22 ARG 658 HH22 ARG 658 -6.766 -5.154 -4.191 54 H PHE 659 HN PHE 659 -8.238 -10.900 -11.964 55 HA PHE 659 HA PHE 659 -8.734 -9.480 -14.441 56 HB2 PHE 659 HB2 PHE 659 -7.703 -11.731 -15.420 57 HB3 PHE 659 HB1 PHE 659 -6.694 -10.488 -14.703 58 HD1 PHE 659 HD2 PHE 659 -8.200 -13.845 -14.106 59 HD2 PHE 659 HD1 PHE 659 -5.389 -10.935 -12.728 60 HE1 PHE 659 HE2 PHE 659 -7.240 -15.496 -12.554 61 HE2 PHE 659 HE1 PHE 659 -4.442 -12.586 -11.171 62 HZ PHE 659 HZ PHE 659 -5.367 -14.864 -11.081 63 H GLU 660 HN GLU 660 -10.875 -9.356 -14.742 64 HA GLU 660 HA GLU 660 -12.204 -11.712 -15.832 65 HB2 GLU 660 HB2 GLU 660 -12.939 -11.666 -13.452 66 HB3 GLU 660 HB1 GLU 660 -13.477 -10.000 -13.636 67 HG2 GLU 660 HG2 GLU 660 -15.202 -10.713 -15.234 68 HG3 GLU 660 HG1 GLU 660 -14.632 -12.379 -15.130 69 H CYS 661 HN CYS 661 -14.076 -11.140 -17.134 70 HA CYS 661 HA CYS 661 -13.604 -9.039 -18.933 71 HB2 CYS 661 HB2 CYS 661 -14.730 -11.164 -19.485 72 HB3 CYS 661 HB1 CYS 661 -16.127 -10.679 -18.524 73 H ILE 662 HN ILE 662 -14.978 -7.279 -19.569 74 HA ILE 662 HA ILE 662 -15.750 -5.539 -17.488 75 HB ILE 662 HB ILE 662 -16.661 -4.056 -19.315 76 HG12 ILE 662 HG12 ILE 662 -15.743 -6.283 -21.201 77 HG13 ILE 662 HG11 ILE 662 -17.429 -5.908 -20.858 78 HG21 ILE 662 HG21 ILE 662 -13.855 -5.131 -19.812 79 HG22 ILE 662 HG22 ILE 662 -14.299 -3.892 -18.634 80 HG23 ILE 662 HG23 ILE 662 -14.481 -3.573 -20.359 81 HD11 ILE 662 HD11 ILE 662 -15.445 -4.076 -22.210 82 HD12 ILE 662 HD12 ILE 662 -17.144 -3.705 -21.889 83 HD13 ILE 662 HD13 ILE 662 -16.717 -5.011 -22.994 84 H CYS 663 HN CYS 663 -17.700 -7.887 -19.293 85 HA CYS 663 HA CYS 663 -20.214 -6.791 -18.289 86 HB2 CYS 663 HB2 CYS 663 -21.352 -8.500 -19.525 87 HB3 CYS 663 HB1 CYS 663 -20.048 -7.910 -20.548 88 H GLY 664 HN GLY 664 -17.777 -8.676 -16.962 89 HA2 GLY 664 HA2 GLY 664 -17.583 -9.652 -14.904 90 HA3 GLY 664 HA1 GLY 664 -19.224 -9.148 -14.550 91 H GLU 665 HN GLU 665 -19.105 -11.072 -17.357 92 HA GLU 665 HA GLU 665 -20.420 -13.259 -15.929 93 HB2 GLU 665 HB2 GLU 665 -20.204 -12.658 -18.906 94 HB3 GLU 665 HB1 GLU 665 -21.138 -13.982 -18.206 95 HG2 GLU 665 HG2 GLU 665 -21.629 -11.010 -17.794 96 HG3 GLU 665 HG1 GLU 665 -22.588 -12.099 -18.796 97 H LEU 666 HN LEU 666 -20.070 -15.474 -16.829 98 HA LEU 666 HA LEU 666 -17.597 -16.453 -16.048 99 HB2 LEU 666 HB2 LEU 666 -19.599 -17.822 -17.878 100 HB3 LEU 666 HB1 LEU 666 -18.301 -18.625 -17.001 101 HG LEU 666 HG LEU 666 -20.672 -17.207 -15.697 102 HD11 LEU 666 HD11 LEU 666 -20.174 -20.182 -16.080 103 HD12 LEU 666 HD12 LEU 666 -21.392 -19.216 -16.919 104 HD13 LEU 666 HD13 LEU 666 -21.509 -19.457 -15.177 105 HD21 LEU 666 HD21 LEU 666 -18.677 -17.194 -14.252 106 HD22 LEU 666 HD22 LEU 666 -18.503 -18.940 -14.447 107 HD23 LEU 666 HD23 LEU 666 -19.911 -18.280 -13.612 108 H ASP 667 HN ASP 667 -15.675 -16.205 -17.036 109 HA ASP 667 HA ASP 667 -15.465 -16.046 -19.949 110 HB2 ASP 667 HB2 ASP 667 -13.361 -15.663 -17.770 111 HB3 ASP 667 HB1 ASP 667 -13.016 -15.587 -19.496 112 H GLN 668 HN GLN 668 -16.348 -18.196 -19.988 113 HA GLN 668 HA GLN 668 -14.184 -20.192 -20.220 114 HB2 GLN 668 HB2 GLN 668 -15.829 -21.966 -19.636 115 HB3 GLN 668 HB1 GLN 668 -15.508 -20.865 -18.296 116 HG2 GLN 668 HG2 GLN 668 -17.655 -19.649 -18.904 117 HG3 GLN 668 HG1 GLN 668 -17.985 -20.942 -20.054 118 HE21 GLN 668 HE21 GLN 668 -16.581 -21.364 -16.826 119 HE22 GLN 668 HE22 GLN 668 -17.918 -22.232 -16.165 120 H ILE 669 HN ILE 669 -14.182 -21.307 -22.080 121 HA ILE 669 HA ILE 669 -15.637 -20.253 -24.342 122 HB ILE 669 HB ILE 669 -13.637 -22.566 -24.192 123 HG12 ILE 669 HG12 ILE 669 -13.231 -19.647 -25.009 124 HG13 ILE 669 HG11 ILE 669 -12.666 -20.377 -23.510 125 HG21 ILE 669 HG21 ILE 669 -13.384 -22.329 -26.643 126 HG22 ILE 669 HG22 ILE 669 -14.657 -21.107 -26.662 127 HG23 ILE 669 HG23 ILE 669 -15.040 -22.769 -26.214 128 HD11 ILE 669 HD11 ILE 669 -10.852 -20.109 -25.072 129 HD12 ILE 669 HD12 ILE 669 -11.714 -21.039 -26.297 130 HD13 ILE 669 HD13 ILE 669 -11.161 -21.827 -24.816 131 H ASP 670 HN ASP 670 -16.084 -22.764 -22.099 132 HA ASP 670 HA ASP 670 -17.611 -24.720 -23.341 133 HB2 ASP 670 HB2 ASP 670 -18.009 -23.583 -20.523 134 HB3 ASP 670 HB1 ASP 670 -18.551 -25.162 -21.091 135 H ARG 671 HN ARG 671 -18.561 -21.469 -22.346 136 HA ARG 671 HA ARG 671 -21.335 -21.914 -23.296 137 HB2 ARG 671 HB2 ARG 671 -20.273 -19.682 -21.508 138 HB3 ARG 671 HB1 ARG 671 -21.947 -19.864 -22.035 139 HG2 ARG 671 HG2 ARG 671 -20.398 -21.751 -20.234 140 HG3 ARG 671 HG1 ARG 671 -21.675 -20.635 -19.738 141 HD2 ARG 671 HD2 ARG 671 -23.341 -21.896 -20.937 142 HD3 ARG 671 HD1 ARG 671 -22.119 -22.900 -21.722 143 HE ARG 671 HE ARG 671 -22.784 -22.980 -18.829 144 HH11 ARG 671 HH11 ARG 671 -21.538 -24.593 -21.701 145 HH12 ARG 671 HH12 ARG 671 -21.485 -26.158 -20.953 146 HH21 ARG 671 HH21 ARG 671 -22.699 -25.048 -17.850 147 HH22 ARG 671 HH22 ARG 671 -22.138 -26.412 -18.769 148 H LYS 672 HN LYS 672 -19.073 -19.101 -23.151 149 HA LYS 672 HA LYS 672 -19.560 -18.620 -26.044 150 HB2 LYS 672 HB2 LYS 672 -19.267 -16.510 -23.853 151 HB3 LYS 672 HB1 LYS 672 -19.362 -16.168 -25.580 152 HG2 LYS 672 HG2 LYS 672 -21.547 -17.394 -23.871 153 HG3 LYS 672 HG1 LYS 672 -21.492 -15.728 -24.454 154 HD2 LYS 672 HD2 LYS 672 -21.709 -18.224 -26.191 155 HD3 LYS 672 HD1 LYS 672 -23.045 -17.146 -25.771 156 HE2 LYS 672 HE2 LYS 672 -21.915 -15.299 -26.987 157 HE3 LYS 672 HE1 LYS 672 -20.593 -16.393 -27.405 158 HZ1 LYS 672 HZ1 LYS 672 -23.426 -16.686 -28.218 159 HZ2 LYS 672 HZ2 LYS 672 -22.195 -17.783 -28.575 160 HZ3 LYS 672 HZ3 LYS 672 -22.145 -16.212 -29.207 161 HA PRO 673 HA PRO 673 -15.067 -18.664 -26.447 162 HB2 PRO 673 HB2 PRO 673 -14.769 -16.681 -28.405 163 HB3 PRO 673 HB1 PRO 673 -15.149 -18.368 -28.719 164 HG2 PRO 673 HG2 PRO 673 -16.987 -16.006 -28.560 165 HG3 PRO 673 HG1 PRO 673 -17.004 -17.362 -29.710 166 HD2 PRO 673 HD2 PRO 673 -18.727 -17.250 -27.628 167 HD3 PRO 673 HD1 PRO 673 -18.059 -18.805 -28.162 168 H ARG 674 HN ARG 674 -13.411 -17.606 -25.476 169 HA ARG 674 HA ARG 674 -13.723 -14.808 -24.678 170 HB2 ARG 674 HB2 ARG 674 -13.059 -15.380 -22.317 171 HB3 ARG 674 HB1 ARG 674 -14.659 -15.913 -22.789 172 HG2 ARG 674 HG2 ARG 674 -14.005 -17.812 -21.710 173 HG3 ARG 674 HG1 ARG 674 -13.356 -18.205 -23.297 174 HD2 ARG 674 HD2 ARG 674 -11.136 -17.436 -22.591 175 HD3 ARG 674 HD1 ARG 674 -11.782 -16.968 -21.018 176 HE ARG 674 HE ARG 674 -12.277 -19.364 -20.642 177 HH11 ARG 674 HH11 ARG 674 -9.809 -18.556 -23.024 178 HH12 ARG 674 HH12 ARG 674 -8.964 -20.053 -22.817 179 HH21 ARG 674 HH21 ARG 674 -11.155 -21.308 -20.405 180 HH22 ARG 674 HH22 ARG 674 -9.715 -21.604 -21.334 181 H VAL 675 HN VAL 675 -11.999 -13.698 -24.999 182 HA VAL 675 HA VAL 675 -9.515 -14.910 -25.848 183 HB VAL 675 HB VAL 675 -8.856 -12.615 -26.477 184 HG11 VAL 675 HG11 VAL 675 -10.580 -12.240 -28.216 185 HG12 VAL 675 HG12 VAL 675 -11.663 -13.349 -27.372 186 HG13 VAL 675 HG13 VAL 675 -10.155 -13.947 -28.068 187 HG21 VAL 675 HG21 VAL 675 -9.935 -11.307 -24.683 188 HG22 VAL 675 HG22 VAL 675 -11.527 -11.712 -25.327 189 HG23 VAL 675 HG23 VAL 675 -10.423 -10.705 -26.271 190 H GLN 676 HN GLN 676 -7.735 -15.064 -24.681 191 HA GLN 676 HA GLN 676 -7.595 -14.073 -21.921 192 HB2 GLN 676 HB2 GLN 676 -5.721 -15.969 -23.440 193 HB3 GLN 676 HB1 GLN 676 -5.706 -15.659 -21.701 194 HG2 GLN 676 HG2 GLN 676 -8.043 -16.915 -23.191 195 HG3 GLN 676 HG1 GLN 676 -6.765 -17.837 -22.391 196 HE21 GLN 676 HE21 GLN 676 -9.470 -15.625 -21.867 197 HE22 GLN 676 HE22 GLN 676 -9.732 -16.050 -20.211 198 H CYS 677 HN CYS 677 -7.112 -11.886 -22.175 199 HA CYS 677 HA CYS 677 -5.514 -10.830 -24.269 200 HB2 CYS 677 HB2 CYS 677 -7.268 -9.508 -23.141 201 HB3 CYS 677 HB1 CYS 677 -6.325 -9.488 -21.658 202 H LEU 678 HN LEU 678 -3.507 -11.589 -24.387 203 HA LEU 678 HA LEU 678 -1.823 -12.455 -22.375 204 HB2 LEU 678 HB2 LEU 678 -0.060 -12.469 -24.149 205 HB3 LEU 678 HB1 LEU 678 -1.577 -13.195 -24.630 206 HG LEU 678 HG LEU 678 -2.029 -10.770 -25.701 207 HD11 LEU 678 HD11 LEU 678 -0.001 -9.682 -24.908 208 HD12 LEU 678 HD12 LEU 678 -0.022 -9.756 -26.668 209 HD13 LEU 678 HD13 LEU 678 0.995 -10.872 -25.752 210 HD21 LEU 678 HD21 LEU 678 -2.026 -12.865 -26.979 211 HD22 LEU 678 HD22 LEU 678 -0.263 -12.828 -27.061 212 HD23 LEU 678 HD23 LEU 678 -1.211 -11.576 -27.869 213 H LYS 679 HN LYS 679 -2.205 -9.210 -23.586 214 HA LYS 679 HA LYS 679 0.310 -8.170 -22.778 215 HB2 LYS 679 HB2 LYS 679 -1.026 -7.217 -24.613 216 HB3 LYS 679 HB1 LYS 679 -2.266 -6.716 -23.475 217 HG2 LYS 679 HG2 LYS 679 -0.994 -4.955 -22.624 218 HG3 LYS 679 HG1 LYS 679 0.543 -5.691 -23.083 219 HD2 LYS 679 HD2 LYS 679 -1.479 -4.531 -25.051 220 HD3 LYS 679 HD1 LYS 679 -0.048 -3.678 -24.457 221 HE2 LYS 679 HE2 LYS 679 1.384 -5.495 -25.439 222 HE3 LYS 679 HE1 LYS 679 -0.071 -6.247 -26.095 223 HZ1 LYS 679 HZ1 LYS 679 1.120 -4.906 -27.719 224 HZ2 LYS 679 HZ2 LYS 679 0.898 -3.528 -26.772 225 HZ3 LYS 679 HZ3 LYS 679 -0.437 -4.307 -27.451 226 H CYS 680 HN CYS 680 -2.668 -8.685 -21.007 227 HA CYS 680 HA CYS 680 -1.435 -7.457 -18.627 228 HB2 CYS 680 HB2 CYS 680 -3.443 -6.203 -18.046 229 HB3 CYS 680 HB1 CYS 680 -2.930 -5.733 -19.661 230 H HIS 681 HN HIS 681 -2.343 -10.224 -19.791 231 HA HIS 681 HA HIS 681 -3.315 -12.185 -19.163 232 HB2 HIS 681 HB2 HIS 681 -2.212 -11.191 -16.507 233 HB3 HIS 681 HB1 HIS 681 -2.805 -12.831 -16.745 234 HD1 HIS 681 HD1 HIS 681 0.207 -11.995 -16.046 235 HD2 HIS 681 HD2 HIS 681 -1.223 -13.121 -19.785 236 HE1 HIS 681 HE1 HIS 681 2.204 -12.883 -17.285 237 HE2 HIS 681 HE2 HIS 681 1.327 -13.508 -19.562 238 H LEU 682 HN LEU 682 -5.237 -10.351 -19.528 239 HA LEU 682 HA LEU 682 -7.146 -10.458 -17.253 240 HB2 LEU 682 HB2 LEU 682 -6.380 -8.209 -17.974 241 HB3 LEU 682 HB1 LEU 682 -6.902 -8.530 -19.607 242 HG LEU 682 HG LEU 682 -8.327 -6.927 -18.256 243 HD11 LEU 682 HD11 LEU 682 -9.837 -9.307 -19.340 244 HD12 LEU 682 HD12 LEU 682 -9.188 -7.971 -20.294 245 HD13 LEU 682 HD13 LEU 682 -10.452 -7.668 -19.106 246 HD21 LEU 682 HD21 LEU 682 -9.930 -7.801 -16.655 247 HD22 LEU 682 HD22 LEU 682 -8.277 -8.072 -16.109 248 HD23 LEU 682 HD23 LEU 682 -9.214 -9.410 -16.782 249 H TRP 683 HN TRP 683 -8.993 -11.612 -17.558 250 HA TRP 683 HA TRP 683 -9.305 -13.066 -20.089 251 HB2 TRP 683 HB2 TRP 683 -10.983 -13.491 -17.588 252 HB3 TRP 683 HB1 TRP 683 -10.684 -14.617 -18.906 253 HD1 TRP 683 HD1 TRP 683 -10.165 -15.013 -15.654 254 HE1 TRP 683 HE1 TRP 683 -7.909 -15.945 -14.913 255 HE3 TRP 683 HE3 TRP 683 -7.355 -13.932 -19.820 256 HZ2 TRP 683 HZ2 TRP 683 -5.317 -16.178 -15.881 257 HZ3 TRP 683 HZ3 TRP 683 -4.984 -14.554 -19.802 258 HH2 TRP 683 HH2 TRP 683 -3.975 -15.658 -17.871 259 H GLN 684 HN GLN 684 -10.809 -12.473 -21.541 260 HA GLN 684 HA GLN 684 -13.239 -11.045 -20.734 261 HB2 GLN 684 HB2 GLN 684 -11.275 -9.430 -21.404 262 HB3 GLN 684 HB1 GLN 684 -11.544 -10.011 -23.037 263 HG2 GLN 684 HG2 GLN 684 -13.200 -8.507 -23.327 264 HG3 GLN 684 HG1 GLN 684 -14.100 -9.212 -21.996 265 HE21 GLN 684 HE21 GLN 684 -12.215 -8.523 -19.938 266 HE22 GLN 684 HE22 GLN 684 -12.250 -6.814 -19.730 267 H HIS 685 HN HIS 685 -14.889 -11.126 -22.447 268 HA HIS 685 HA HIS 685 -14.804 -13.565 -23.983 269 HB2 HIS 685 HB2 HIS 685 -16.899 -11.392 -23.759 270 HB3 HIS 685 HB1 HIS 685 -17.105 -12.794 -24.792 271 HD2 HIS 685 HD2 HIS 685 -17.081 -15.317 -23.292 272 HE1 HIS 685 HE1 HIS 685 -18.371 -13.339 -19.775 273 HE2 HIS 685 HE2 HIS 685 -18.230 -15.561 -20.988 274 H ALA 686 HN ALA 686 -14.843 -13.815 -26.214 275 HA ALA 686 HA ALA 686 -13.312 -12.083 -27.807 276 HB1 ALA 686 HB1 ALA 686 -13.592 -14.495 -28.254 277 HB2 ALA 686 HB2 ALA 686 -14.004 -13.534 -29.676 278 HB3 ALA 686 HB3 ALA 686 -15.287 -14.225 -28.676 279 H LYS 687 HN LYS 687 -16.843 -12.652 -27.811 280 HA LYS 687 HA LYS 687 -17.523 -10.706 -29.758 281 HB2 LYS 687 HB2 LYS 687 -19.098 -12.249 -27.686 282 HB3 LYS 687 HB1 LYS 687 -19.885 -10.977 -28.592 283 HG2 LYS 687 HG2 LYS 687 -20.353 -13.175 -29.548 284 HG3 LYS 687 HG1 LYS 687 -19.511 -12.133 -30.691 285 HD2 LYS 687 HD2 LYS 687 -17.494 -13.380 -30.537 286 HD3 LYS 687 HD1 LYS 687 -17.988 -14.165 -29.030 287 HE2 LYS 687 HE2 LYS 687 -18.086 -15.697 -30.976 288 HE3 LYS 687 HE1 LYS 687 -19.659 -15.485 -30.216 289 HZ1 LYS 687 HZ1 LYS 687 -19.898 -15.417 -32.574 290 HZ2 LYS 687 HZ2 LYS 687 -18.721 -14.221 -32.728 291 HZ3 LYS 687 HZ3 LYS 687 -20.191 -13.863 -31.973 292 H CYS 688 HN CYS 688 -16.813 -10.417 -26.354 293 HA CYS 688 HA CYS 688 -18.196 -7.923 -25.906 294 HB2 CYS 688 HB2 CYS 688 -16.136 -9.396 -24.238 295 HB3 CYS 688 HB1 CYS 688 -16.844 -7.859 -23.747 296 H VAL 689 HN VAL 689 -15.171 -8.768 -27.346 297 HA VAL 689 HA VAL 689 -14.174 -5.969 -27.152 298 HB VAL 689 HB VAL 689 -11.894 -6.764 -27.413 299 HG11 VAL 689 HG11 VAL 689 -13.293 -8.432 -25.287 300 HG12 VAL 689 HG12 VAL 689 -12.784 -6.753 -25.113 301 HG13 VAL 689 HG13 VAL 689 -11.575 -8.020 -25.317 302 HG21 VAL 689 HG21 VAL 689 -12.244 -8.678 -28.917 303 HG22 VAL 689 HG22 VAL 689 -12.988 -9.596 -27.608 304 HG23 VAL 689 HG23 VAL 689 -11.278 -9.161 -27.519 305 H ASN 690 HN ASN 690 -15.985 -7.558 -29.163 306 HA ASN 690 HA ASN 690 -16.379 -7.848 -31.362 307 HB2 ASN 690 HB2 ASN 690 -14.441 -5.512 -31.651 308 HB3 ASN 690 HB1 ASN 690 -15.259 -6.228 -33.031 309 HD21 ASN 690 HD21 ASN 690 -17.496 -5.910 -33.283 310 HD22 ASN 690 HD22 ASN 690 -18.349 -4.693 -32.406 311 H TYR 691 HN TYR 691 -15.527 -9.943 -31.194 312 HA TYR 691 HA TYR 691 -13.325 -10.616 -32.907 313 HB2 TYR 691 HB2 TYR 691 -12.337 -9.805 -30.605 314 HB3 TYR 691 HB1 TYR 691 -12.964 -11.301 -29.949 315 HD1 TYR 691 HD1 TYR 691 -10.385 -9.774 -32.087 316 HD2 TYR 691 HD2 TYR 691 -11.890 -13.455 -30.528 317 HE1 TYR 691 HE1 TYR 691 -8.293 -10.901 -32.702 318 HE2 TYR 691 HE2 TYR 691 -9.801 -14.559 -31.137 319 HH TYR 691 HH TYR 691 -7.012 -12.936 -31.999 320 H ASP 692 HN ASP 692 -13.039 -13.111 -32.836 321 HA ASP 692 HA ASP 692 -15.214 -14.634 -31.602 322 HB2 ASP 692 HB2 ASP 692 -15.912 -13.762 -33.990 323 HB3 ASP 692 HB1 ASP 692 -14.791 -14.965 -34.608 324 H GLU 693 HN GLU 693 -14.809 -16.958 -31.683 325 HA GLU 693 HA GLU 693 -12.162 -17.536 -30.937 326 HB2 GLU 693 HB2 GLU 693 -12.988 -19.975 -30.857 327 HB3 GLU 693 HB1 GLU 693 -13.792 -18.809 -29.825 328 HG2 GLU 693 HG2 GLU 693 -15.727 -19.622 -30.638 329 HG3 GLU 693 HG1 GLU 693 -15.372 -18.724 -32.102 330 H LYS 694 HN LYS 694 -13.721 -17.910 -34.038 331 HA LYS 694 HA LYS 694 -12.310 -19.943 -35.275 332 HB2 LYS 694 HB2 LYS 694 -13.474 -17.377 -36.412 333 HB3 LYS 694 HB1 LYS 694 -12.638 -18.504 -37.466 334 HG2 LYS 694 HG2 LYS 694 -15.029 -18.863 -37.610 335 HG3 LYS 694 HG1 LYS 694 -14.258 -20.280 -36.888 336 HD2 LYS 694 HD2 LYS 694 -14.958 -19.494 -34.650 337 HD3 LYS 694 HD1 LYS 694 -15.730 -18.083 -35.378 338 HE2 LYS 694 HE2 LYS 694 -17.327 -19.524 -36.540 339 HE3 LYS 694 HE1 LYS 694 -16.513 -20.969 -35.927 340 HZ1 LYS 694 HZ1 LYS 694 -17.783 -18.898 -34.224 341 HZ2 LYS 694 HZ2 LYS 694 -17.112 -20.363 -33.702 342 HZ3 LYS 694 HZ3 LYS 694 -18.509 -20.368 -34.654 343 H ASN 695 HN ASN 695 -11.313 -16.614 -34.824 344 HA ASN 695 HA ASN 695 -8.648 -17.151 -35.979 345 HB2 ASN 695 HB2 ASN 695 -8.524 -14.600 -36.122 346 HB3 ASN 695 HB1 ASN 695 -9.683 -15.387 -37.189 347 HD21 ASN 695 HD21 ASN 695 -9.307 -13.389 -34.365 348 HD22 ASN 695 HD22 ASN 695 -10.947 -12.853 -34.277 349 H LEU 696 HN LEU 696 -10.136 -16.980 -33.005 350 HA LEU 696 HA LEU 696 -8.090 -15.859 -31.373 351 HB2 LEU 696 HB2 LEU 696 -10.428 -16.437 -30.658 352 HB3 LEU 696 HB1 LEU 696 -10.023 -18.132 -30.737 353 HG LEU 696 HG LEU 696 -8.587 -16.262 -28.814 354 HD11 LEU 696 HD11 LEU 696 -11.179 -17.756 -28.261 355 HD12 LEU 696 HD12 LEU 696 -10.987 -16.003 -28.366 356 HD13 LEU 696 HD13 LEU 696 -10.207 -16.895 -27.061 357 HD21 LEU 696 HD21 LEU 696 -8.233 -18.326 -27.489 358 HD22 LEU 696 HD22 LEU 696 -7.545 -18.472 -29.105 359 HD23 LEU 696 HD23 LEU 696 -9.076 -19.264 -28.727 360 H LYS 697 HN LYS 697 -8.556 -18.986 -32.923 361 HA LYS 697 HA LYS 697 -6.113 -20.151 -31.866 362 HB2 LYS 697 HB2 LYS 697 -8.022 -21.081 -34.042 363 HB3 LYS 697 HB1 LYS 697 -6.577 -21.971 -33.608 364 HG2 LYS 697 HG2 LYS 697 -8.212 -23.099 -32.418 365 HG3 LYS 697 HG1 LYS 697 -7.567 -22.001 -31.200 366 HD2 LYS 697 HD2 LYS 697 -9.936 -21.904 -30.956 367 HD3 LYS 697 HD1 LYS 697 -9.493 -20.417 -31.800 368 HE2 LYS 697 HE2 LYS 697 -11.399 -21.208 -32.957 369 HE3 LYS 697 HE1 LYS 697 -10.047 -21.686 -33.981 370 HZ1 LYS 697 HZ1 LYS 697 -11.640 -23.453 -33.758 371 HZ2 LYS 697 HZ2 LYS 697 -11.492 -23.432 -32.072 372 HZ3 LYS 697 HZ3 LYS 697 -10.181 -23.905 -33.027 373 H ILE 698 HN ILE 698 -6.304 -17.602 -33.911 374 HA ILE 698 HA ILE 698 -4.051 -18.475 -35.649 375 HB ILE 698 HB ILE 698 -6.276 -16.631 -36.653 376 HG12 ILE 698 HG12 ILE 698 -6.013 -19.639 -37.081 377 HG13 ILE 698 HG11 ILE 698 -7.282 -18.796 -36.191 378 HG21 ILE 698 HG21 ILE 698 -5.332 -17.083 -38.885 379 HG22 ILE 698 HG22 ILE 698 -4.093 -18.116 -38.169 380 HG23 ILE 698 HG23 ILE 698 -4.116 -16.388 -37.810 381 HD11 ILE 698 HD11 ILE 698 -6.796 -18.654 -39.165 382 HD12 ILE 698 HD12 ILE 698 -8.060 -17.789 -38.284 383 HD13 ILE 698 HD13 ILE 698 -8.071 -19.551 -38.341 384 H LYS 699 HN LYS 699 -5.886 -15.446 -35.250 385 HA LYS 699 HA LYS 699 -3.416 -13.868 -35.150 386 HB2 LYS 699 HB2 LYS 699 -6.355 -13.141 -35.500 387 HB3 LYS 699 HB1 LYS 699 -5.125 -11.911 -35.269 388 HG2 LYS 699 HG2 LYS 699 -4.887 -11.890 -37.512 389 HG3 LYS 699 HG1 LYS 699 -4.034 -13.414 -37.333 390 HD2 LYS 699 HD2 LYS 699 -5.664 -13.723 -39.060 391 HD3 LYS 699 HD1 LYS 699 -6.254 -14.604 -37.647 392 HE2 LYS 699 HE2 LYS 699 -7.845 -12.826 -37.142 393 HE3 LYS 699 HE1 LYS 699 -7.177 -11.805 -38.418 394 HZ1 LYS 699 HZ1 LYS 699 -7.942 -13.388 -40.054 395 HZ2 LYS 699 HZ2 LYS 699 -9.231 -12.887 -39.087 396 HZ3 LYS 699 HZ3 LYS 699 -8.541 -14.410 -38.849 397 HA PRO 700 HA PRO 700 -3.589 -13.008 -30.724 398 HB2 PRO 700 HB2 PRO 700 -2.661 -10.466 -30.484 399 HB3 PRO 700 HB1 PRO 700 -1.620 -11.781 -31.063 400 HG2 PRO 700 HG2 PRO 700 -3.169 -9.744 -32.682 401 HG3 PRO 700 HG1 PRO 700 -1.454 -10.198 -32.821 402 HD2 PRO 700 HD2 PRO 700 -3.334 -11.250 -34.464 403 HD3 PRO 700 HD1 PRO 700 -1.942 -12.211 -33.917 404 H PHE 701 HN PHE 701 -4.448 -11.386 -29.043 405 HA PHE 701 HA PHE 701 -6.938 -10.081 -29.777 406 HB2 PHE 701 HB2 PHE 701 -8.121 -11.675 -27.996 407 HB3 PHE 701 HB1 PHE 701 -7.996 -12.139 -29.680 408 HD1 PHE 701 HD2 PHE 701 -6.675 -12.807 -26.272 409 HD2 PHE 701 HD1 PHE 701 -6.643 -14.033 -30.371 410 HE1 PHE 701 HE2 PHE 701 -5.580 -14.917 -25.649 411 HE2 PHE 701 HE1 PHE 701 -5.543 -16.131 -29.735 412 HZ PHE 701 HZ PHE 701 -5.008 -16.575 -27.373 413 H TYR 702 HN TYR 702 -7.488 -8.525 -28.388 414 HA TYR 702 HA TYR 702 -6.120 -8.272 -25.787 415 HB2 TYR 702 HB2 TYR 702 -6.220 -6.037 -27.882 416 HB3 TYR 702 HB1 TYR 702 -5.478 -5.937 -26.288 417 HD1 TYR 702 HD2 TYR 702 -3.397 -7.326 -25.799 418 HD2 TYR 702 HD1 TYR 702 -4.981 -6.950 -29.754 419 HE1 TYR 702 HE2 TYR 702 -1.296 -8.197 -26.725 420 HE2 TYR 702 HE1 TYR 702 -2.880 -7.833 -30.680 421 HH TYR 702 HH TYR 702 -0.589 -8.133 -30.119 422 H CYS 703 HN CYS 703 -7.341 -7.278 -24.228 423 HA CYS 703 HA CYS 703 -10.084 -6.603 -24.568 424 HB2 CYS 703 HB2 CYS 703 -10.044 -5.944 -22.254 425 HB3 CYS 703 HB1 CYS 703 -8.944 -7.313 -22.390 426 HA PRO 704 HA PRO 704 -9.869 -2.609 -26.427 427 HB2 PRO 704 HB2 PRO 704 -11.871 -1.148 -25.137 428 HB3 PRO 704 HB1 PRO 704 -12.156 -2.348 -26.405 429 HG2 PRO 704 HG2 PRO 704 -12.307 -2.673 -23.409 430 HG3 PRO 704 HG1 PRO 704 -13.428 -3.260 -24.655 431 HD2 PRO 704 HD2 PRO 704 -11.645 -4.910 -23.525 432 HD3 PRO 704 HD1 PRO 704 -12.020 -5.040 -25.260 433 H HIS 705 HN HIS 705 -9.508 -2.698 -22.947 434 HA HIS 705 HA HIS 705 -8.674 -0.013 -22.528 435 HB2 HIS 705 HB2 HIS 705 -9.426 -1.681 -20.720 436 HB3 HIS 705 HB1 HIS 705 -7.815 -2.390 -20.833 437 HD1 HIS 705 HD1 HIS 705 -9.573 0.805 -19.873 438 HD2 HIS 705 HD2 HIS 705 -5.847 -0.983 -19.427 439 HE1 HIS 705 HE1 HIS 705 -8.320 2.277 -18.277 440 HE2 HIS 705 HE2 HIS 705 -6.027 1.247 -18.114 441 H CYS 706 HN CYS 706 -6.921 -2.957 -23.462 442 HA CYS 706 HA CYS 706 -4.304 -1.776 -23.339 443 HB2 CYS 706 HB2 CYS 706 -5.340 -4.302 -24.636 444 HB3 CYS 706 HB1 CYS 706 -3.663 -3.787 -24.827 445 H LEU 707 HN LEU 707 -6.844 -1.787 -25.751 446 HA LEU 707 HA LEU 707 -5.258 -0.892 -27.970 447 HB2 LEU 707 HB2 LEU 707 -8.233 -0.436 -27.473 448 HB3 LEU 707 HB1 LEU 707 -7.401 -0.273 -29.016 449 HG LEU 707 HG LEU 707 -7.813 -2.882 -27.485 450 HD11 LEU 707 HD11 LEU 707 -9.895 -2.068 -28.457 451 HD12 LEU 707 HD12 LEU 707 -9.332 -3.498 -29.318 452 HD13 LEU 707 HD13 LEU 707 -9.129 -1.897 -30.038 453 HD21 LEU 707 HD21 LEU 707 -5.707 -2.969 -28.720 454 HD22 LEU 707 HD22 LEU 707 -6.512 -2.440 -30.199 455 HD23 LEU 707 HD23 LEU 707 -6.905 -4.009 -29.488 456 H VAL 708 HN VAL 708 -7.159 0.708 -25.441 457 HA VAL 708 HA VAL 708 -6.591 3.420 -26.206 458 HB VAL 708 HB VAL 708 -7.635 2.328 -23.543 459 HG11 VAL 708 HG11 VAL 708 -6.847 4.656 -23.303 460 HG12 VAL 708 HG12 VAL 708 -8.607 4.587 -23.197 461 HG13 VAL 708 HG13 VAL 708 -7.835 5.144 -24.683 462 HG21 VAL 708 HG21 VAL 708 -9.201 3.321 -25.954 463 HG22 VAL 708 HG22 VAL 708 -9.894 2.816 -24.410 464 HG23 VAL 708 HG23 VAL 708 -9.070 1.638 -25.433 465 H ALA 709 HN ALA 709 -4.873 1.010 -24.425 466 HA ALA 709 HA ALA 709 -3.146 2.788 -22.934 467 HB1 ALA 709 HB1 ALA 709 -3.642 0.513 -22.111 468 HB2 ALA 709 HB2 ALA 709 -1.909 0.752 -22.340 469 HB3 ALA 709 HB3 ALA 709 -2.833 -0.181 -23.519 470 H MET 710 HN MET 710 -2.806 0.774 -25.869 471 HA MET 710 HA MET 710 -0.082 1.466 -26.416 472 HB2 MET 710 HB2 MET 710 -2.200 0.245 -28.242 473 HB3 MET 710 HB1 MET 710 -0.487 0.353 -28.634 474 HG2 MET 710 HG2 MET 710 0.051 -1.140 -26.767 475 HG3 MET 710 HG1 MET 710 -1.653 -1.221 -26.319 476 HE1 MET 710 HE1 MET 710 -3.008 -1.369 -29.307 477 HE2 MET 710 HE2 MET 710 -3.547 -2.338 -27.935 478 HE3 MET 710 HE3 MET 710 -3.157 -3.116 -29.472 479 H GLU 711 HN GLU 711 -3.070 2.190 -28.225 480 HA GLU 711 HA GLU 711 -3.854 3.912 -29.384 481 HB2 GLU 711 HB2 GLU 711 -1.964 5.427 -27.571 482 HB3 GLU 711 HB1 GLU 711 -2.875 6.278 -28.821 483 HG2 GLU 711 HG2 GLU 711 -4.139 4.577 -26.652 484 HG3 GLU 711 HG1 GLU 711 -3.925 6.323 -26.542 485 HA PRO 712 HA PRO 712 -1.055 5.032 -32.816 486 HB2 PRO 712 HB2 PRO 712 -3.140 6.872 -33.784 487 HB3 PRO 712 HB1 PRO 712 -2.577 5.371 -34.521 488 HG2 PRO 712 HG2 PRO 712 -5.074 5.657 -33.427 489 HG3 PRO 712 HG1 PRO 712 -4.221 4.101 -33.517 490 HD2 PRO 712 HD2 PRO 712 -4.487 5.984 -31.164 491 HD3 PRO 712 HD1 PRO 712 -4.599 4.206 -31.213 492 H VAL 713 HN VAL 713 0.530 6.523 -32.408 493 HA VAL 713 HA VAL 713 0.444 8.331 -30.281 494 HB VAL 713 HB VAL 713 2.631 9.232 -31.120 495 HG11 VAL 713 HG11 VAL 713 2.610 7.166 -29.772 496 HG12 VAL 713 HG12 VAL 713 3.911 7.130 -30.963 497 HG13 VAL 713 HG13 VAL 713 2.437 6.197 -31.241 498 HG21 VAL 713 HG21 VAL 713 3.655 8.312 -33.178 499 HG22 VAL 713 HG22 VAL 713 2.178 9.205 -33.551 500 HG23 VAL 713 HG23 VAL 713 2.162 7.439 -33.540 501 H SER 714 HN SER 714 0.192 10.521 -30.062 502 HA SER 714 HA SER 714 -1.549 11.873 -31.851 503 HB2 SER 714 HB2 SER 714 0.044 12.972 -29.488 504 HB3 SER 714 HB1 SER 714 -1.337 13.762 -30.262 505 HG SER 714 HG SER 714 -2.664 12.156 -29.506 506 H THR 715 HN THR 715 -0.831 12.421 -33.803 507 HA THR 715 HA THR 715 1.177 14.453 -34.156 508 HB THR 715 HB THR 715 2.575 12.351 -34.209 509 HG1 THR 715 HG1 THR 715 3.485 12.790 -36.357 510 HG21 THR 715 HG21 THR 715 0.904 10.774 -35.117 511 HG22 THR 715 HG22 THR 715 2.370 10.784 -36.101 512 HG23 THR 715 HG23 THR 715 0.923 11.630 -36.662 513 H ARG 716 HN ARG 716 1.244 15.035 -36.574 514 HA ARG 716 HA ARG 716 -1.436 14.760 -37.783 515 HB2 ARG 716 HB2 ARG 716 0.713 16.848 -38.291 516 HB3 ARG 716 HB1 ARG 716 -0.855 16.785 -39.091 517 HG2 ARG 716 HG2 ARG 716 -0.475 17.145 -36.104 518 HG3 ARG 716 HG1 ARG 716 -0.690 18.473 -37.243 519 HD2 ARG 716 HD2 ARG 716 -2.824 18.132 -36.274 520 HD3 ARG 716 HD1 ARG 716 -2.934 17.361 -37.857 521 HE ARG 716 HE ARG 716 -2.187 15.362 -36.125 522 HH11 ARG 716 HH11 ARG 716 -4.935 17.528 -36.306 523 HH12 ARG 716 HH12 ARG 716 -6.015 16.404 -35.552 524 HH21 ARG 716 HH21 ARG 716 -3.600 13.906 -35.178 525 HH22 ARG 716 HH22 ARG 716 -5.258 14.348 -34.911 Start of MODEL 11 1 H PHE 652 HT1 PHE 652 -13.255 -0.985 0.517 2 HA PHE 652 HA PHE 652 -13.826 -1.817 -2.266 3 HB2 PHE 652 HB2 PHE 652 -14.083 0.925 -0.951 4 HB3 PHE 652 HB1 PHE 652 -14.390 0.574 -2.649 5 HD1 PHE 652 HD1 PHE 652 -16.278 -1.119 -3.193 6 HD2 PHE 652 HD2 PHE 652 -15.864 0.767 0.621 7 HE1 PHE 652 HE1 PHE 652 -18.636 -1.611 -2.690 8 HE2 PHE 652 HE2 PHE 652 -18.223 0.271 1.116 9 HZ PHE 652 HZ PHE 652 -19.609 -0.921 -0.534 10 H ASN 653 HN ASN 653 -11.698 -0.090 -0.013 11 HA ASN 653 HA ASN 653 -9.810 0.788 -2.011 12 HB2 ASN 653 HB2 ASN 653 -9.674 0.739 1.031 13 HB3 ASN 653 HB1 ASN 653 -8.385 1.382 0.017 14 HD21 ASN 653 HD21 ASN 653 -8.797 3.253 -1.247 15 HD22 ASN 653 HD22 ASN 653 -10.073 4.345 -0.841 16 H THR 654 HN THR 654 -8.827 -0.799 -3.135 17 HA THR 654 HA THR 654 -6.752 -2.354 -1.888 18 HB THR 654 HB THR 654 -8.554 -3.948 -1.479 19 HG1 THR 654 HG1 THR 654 -7.787 -5.699 -2.920 20 HG21 THR 654 HG21 THR 654 -10.191 -3.181 -3.164 21 HG22 THR 654 HG22 THR 654 -9.926 -4.923 -3.271 22 HG23 THR 654 HG23 THR 654 -9.178 -3.843 -4.450 23 H SER 655 HN SER 655 -5.131 -2.888 -3.371 24 HA SER 655 HA SER 655 -5.402 -1.835 -6.114 25 HB2 SER 655 HB2 SER 655 -2.925 -2.679 -4.540 26 HB3 SER 655 HB1 SER 655 -2.909 -1.978 -6.162 27 HG SER 655 HG SER 655 -3.385 -0.061 -5.362 28 H ASP 656 HN ASP 656 -6.361 -4.565 -4.971 29 HA ASP 656 HA ASP 656 -4.919 -6.675 -6.167 30 HB2 ASP 656 HB2 ASP 656 -6.578 -7.048 -4.384 31 HB3 ASP 656 HB1 ASP 656 -7.876 -6.504 -5.436 32 H TYR 657 HN TYR 657 -5.203 -7.784 -8.096 33 HA TYR 657 HA TYR 657 -6.374 -6.284 -10.331 34 HB2 TYR 657 HB2 TYR 657 -4.560 -8.746 -10.288 35 HB3 TYR 657 HB1 TYR 657 -5.105 -7.927 -11.749 36 HD1 TYR 657 HD2 TYR 657 -2.842 -7.711 -8.830 37 HD2 TYR 657 HD1 TYR 657 -4.141 -5.759 -12.402 38 HE1 TYR 657 HE2 TYR 657 -0.904 -6.202 -8.711 39 HE2 TYR 657 HE1 TYR 657 -2.209 -4.249 -12.279 40 HH TYR 657 HH TYR 657 -0.632 -3.387 -10.578 41 H ARG 658 HN ARG 658 -8.612 -6.714 -9.923 42 HA ARG 658 HA ARG 658 -9.673 -9.386 -10.122 43 HB2 ARG 658 HB2 ARG 658 -11.034 -6.690 -10.543 44 HB3 ARG 658 HB1 ARG 658 -11.859 -8.241 -10.382 45 HG2 ARG 658 HG2 ARG 658 -11.144 -8.456 -8.069 46 HG3 ARG 658 HG1 ARG 658 -10.122 -7.017 -8.202 47 HD2 ARG 658 HD2 ARG 658 -12.104 -5.634 -8.581 48 HD3 ARG 658 HD1 ARG 658 -13.148 -7.062 -8.475 49 HE ARG 658 HE ARG 658 -11.476 -6.093 -6.212 50 HH11 ARG 658 HH11 ARG 658 -14.546 -7.383 -7.359 51 HH12 ARG 658 HH12 ARG 658 -15.287 -7.325 -5.793 52 HH21 ARG 658 HH21 ARG 658 -12.475 -6.022 -4.170 53 HH22 ARG 658 HH22 ARG 658 -14.117 -6.542 -3.988 54 H PHE 659 HN PHE 659 -8.420 -10.082 -11.930 55 HA PHE 659 HA PHE 659 -8.698 -8.948 -14.548 56 HB2 PHE 659 HB2 PHE 659 -7.595 -11.327 -15.158 57 HB3 PHE 659 HB1 PHE 659 -6.654 -10.014 -14.473 58 HD1 PHE 659 HD2 PHE 659 -8.626 -13.034 -13.373 59 HD2 PHE 659 HD1 PHE 659 -5.286 -10.476 -12.622 60 HE1 PHE 659 HE2 PHE 659 -7.916 -14.493 -11.534 61 HE2 PHE 659 HE1 PHE 659 -4.583 -11.942 -10.775 62 HZ PHE 659 HZ PHE 659 -5.899 -13.952 -10.230 63 H GLU 660 HN GLU 660 -10.950 -8.809 -14.682 64 HA GLU 660 HA GLU 660 -12.430 -11.322 -15.282 65 HB2 GLU 660 HB2 GLU 660 -13.473 -8.807 -13.896 66 HB3 GLU 660 HB1 GLU 660 -14.437 -10.223 -14.305 67 HG2 GLU 660 HG2 GLU 660 -13.093 -11.576 -12.738 68 HG3 GLU 660 HG1 GLU 660 -12.151 -10.146 -12.313 69 H CYS 661 HN CYS 661 -14.403 -10.894 -16.647 70 HA CYS 661 HA CYS 661 -13.802 -8.981 -18.785 71 HB2 CYS 661 HB2 CYS 661 -14.400 -11.281 -19.417 72 HB3 CYS 661 HB1 CYS 661 -15.958 -11.099 -18.617 73 H ILE 662 HN ILE 662 -15.214 -7.389 -19.479 74 HA ILE 662 HA ILE 662 -16.367 -5.723 -17.612 75 HB ILE 662 HB ILE 662 -17.368 -4.489 -19.558 76 HG12 ILE 662 HG12 ILE 662 -16.232 -6.745 -21.292 77 HG13 ILE 662 HG11 ILE 662 -17.946 -6.556 -20.936 78 HG21 ILE 662 HG21 ILE 662 -15.226 -3.925 -20.661 79 HG22 ILE 662 HG22 ILE 662 -14.480 -5.371 -19.979 80 HG23 ILE 662 HG23 ILE 662 -15.027 -4.073 -18.915 81 HD11 ILE 662 HD11 ILE 662 -17.421 -5.723 -23.136 82 HD12 ILE 662 HD12 ILE 662 -16.213 -4.626 -22.473 83 HD13 ILE 662 HD13 ILE 662 -17.922 -4.386 -22.101 84 H CYS 663 HN CYS 663 -17.988 -8.358 -19.306 85 HA CYS 663 HA CYS 663 -20.683 -7.484 -18.592 86 HB2 CYS 663 HB2 CYS 663 -21.455 -9.493 -19.745 87 HB3 CYS 663 HB1 CYS 663 -20.209 -8.734 -20.729 88 H GLY 664 HN GLY 664 -18.426 -10.092 -17.653 89 HA2 GLY 664 HA2 GLY 664 -18.148 -11.074 -15.560 90 HA3 GLY 664 HA1 GLY 664 -19.635 -10.337 -15.004 91 H GLU 665 HN GLU 665 -19.252 -12.385 -17.906 92 HA GLU 665 HA GLU 665 -21.312 -14.242 -16.994 93 HB2 GLU 665 HB2 GLU 665 -19.676 -14.237 -19.565 94 HB3 GLU 665 HB1 GLU 665 -21.044 -15.289 -19.239 95 HG2 GLU 665 HG2 GLU 665 -22.582 -13.448 -19.317 96 HG3 GLU 665 HG1 GLU 665 -21.268 -12.274 -19.345 97 H LEU 666 HN LEU 666 -18.143 -14.965 -18.550 98 HA LEU 666 HA LEU 666 -17.414 -17.007 -16.572 99 HB2 LEU 666 HB2 LEU 666 -17.943 -17.648 -19.516 100 HB3 LEU 666 HB1 LEU 666 -17.083 -18.732 -18.426 101 HG LEU 666 HG LEU 666 -20.002 -17.907 -18.112 102 HD11 LEU 666 HD11 LEU 666 -19.721 -19.293 -20.107 103 HD12 LEU 666 HD12 LEU 666 -20.551 -20.194 -18.843 104 HD13 LEU 666 HD13 LEU 666 -18.846 -20.511 -19.173 105 HD21 LEU 666 HD21 LEU 666 -20.116 -19.701 -16.420 106 HD22 LEU 666 HD22 LEU 666 -18.962 -18.451 -15.957 107 HD23 LEU 666 HD23 LEU 666 -18.380 -19.989 -16.600 108 H ASP 667 HN ASP 667 -15.203 -17.845 -16.963 109 HA ASP 667 HA ASP 667 -13.600 -16.386 -19.006 110 HB2 ASP 667 HB2 ASP 667 -11.622 -16.740 -17.693 111 HB3 ASP 667 HB1 ASP 667 -12.846 -16.117 -16.596 112 H GLN 668 HN GLN 668 -15.237 -19.189 -18.539 113 HA GLN 668 HA GLN 668 -13.516 -20.982 -20.081 114 HB2 GLN 668 HB2 GLN 668 -16.371 -21.234 -19.008 115 HB3 GLN 668 HB1 GLN 668 -15.710 -22.402 -20.143 116 HG2 GLN 668 HG2 GLN 668 -15.554 -23.302 -17.936 117 HG3 GLN 668 HG1 GLN 668 -13.926 -22.958 -18.519 118 HE21 GLN 668 HE21 GLN 668 -12.751 -21.246 -17.545 119 HE22 GLN 668 HE22 GLN 668 -13.192 -20.601 -16.006 120 H ILE 669 HN ILE 669 -14.059 -21.714 -22.271 121 HA ILE 669 HA ILE 669 -15.424 -19.857 -24.004 122 HB ILE 669 HB ILE 669 -14.737 -22.792 -24.574 123 HG12 ILE 669 HG12 ILE 669 -12.700 -21.322 -24.122 124 HG13 ILE 669 HG11 ILE 669 -12.714 -22.072 -25.710 125 HG21 ILE 669 HG21 ILE 669 -14.998 -22.186 -26.977 126 HG22 ILE 669 HG22 ILE 669 -15.549 -20.577 -26.501 127 HG23 ILE 669 HG23 ILE 669 -16.494 -22.000 -26.063 128 HD11 ILE 669 HD11 ILE 669 -13.351 -19.985 -26.734 129 HD12 ILE 669 HD12 ILE 669 -11.924 -19.753 -25.727 130 HD13 ILE 669 HD13 ILE 669 -13.500 -19.216 -25.154 131 H ASP 670 HN ASP 670 -16.254 -23.300 -23.517 132 HA ASP 670 HA ASP 670 -18.142 -24.473 -23.221 133 HB2 ASP 670 HB2 ASP 670 -17.971 -23.549 -20.964 134 HB3 ASP 670 HB1 ASP 670 -18.835 -22.096 -21.457 135 H ARG 671 HN ARG 671 -19.817 -21.309 -23.138 136 HA ARG 671 HA ARG 671 -21.066 -21.872 -25.770 137 HB2 ARG 671 HB2 ARG 671 -22.049 -20.270 -23.381 138 HB3 ARG 671 HB1 ARG 671 -22.620 -19.863 -24.990 139 HG2 ARG 671 HG2 ARG 671 -24.261 -21.235 -23.934 140 HG3 ARG 671 HG1 ARG 671 -23.520 -22.173 -25.226 141 HD2 ARG 671 HD2 ARG 671 -22.167 -23.389 -23.570 142 HD3 ARG 671 HD1 ARG 671 -22.874 -22.422 -22.268 143 HE ARG 671 HE ARG 671 -24.962 -23.624 -23.714 144 HH11 ARG 671 HH11 ARG 671 -22.408 -24.595 -21.497 145 HH12 ARG 671 HH12 ARG 671 -23.278 -25.992 -20.947 146 HH21 ARG 671 HH21 ARG 671 -26.082 -25.419 -22.971 147 HH22 ARG 671 HH22 ARG 671 -25.360 -26.463 -21.791 148 H LYS 672 HN LYS 672 -19.948 -19.148 -23.724 149 HA LYS 672 HA LYS 672 -19.689 -17.420 -26.043 150 HB2 LYS 672 HB2 LYS 672 -19.213 -16.793 -23.103 151 HB3 LYS 672 HB1 LYS 672 -19.307 -15.624 -24.419 152 HG2 LYS 672 HG2 LYS 672 -21.550 -17.405 -23.420 153 HG3 LYS 672 HG1 LYS 672 -21.388 -15.675 -23.117 154 HD2 LYS 672 HD2 LYS 672 -21.742 -16.903 -25.886 155 HD3 LYS 672 HD1 LYS 672 -23.074 -16.309 -24.897 156 HE2 LYS 672 HE2 LYS 672 -20.755 -14.613 -25.892 157 HE3 LYS 672 HE1 LYS 672 -22.361 -14.674 -26.621 158 HZ1 LYS 672 HZ1 LYS 672 -21.788 -13.806 -23.832 159 HZ2 LYS 672 HZ2 LYS 672 -23.301 -13.818 -24.586 160 HZ3 LYS 672 HZ3 LYS 672 -22.095 -12.769 -25.138 161 HA PRO 673 HA PRO 673 -15.299 -18.357 -26.369 162 HB2 PRO 673 HB2 PRO 673 -14.639 -16.515 -28.288 163 HB3 PRO 673 HB1 PRO 673 -15.484 -18.020 -28.634 164 HG2 PRO 673 HG2 PRO 673 -16.595 -15.251 -28.325 165 HG3 PRO 673 HG1 PRO 673 -17.022 -16.505 -29.510 166 HD2 PRO 673 HD2 PRO 673 -18.519 -15.983 -27.271 167 HD3 PRO 673 HD1 PRO 673 -18.450 -17.588 -28.024 168 H ARG 674 HN ARG 674 -13.290 -17.453 -25.616 169 HA ARG 674 HA ARG 674 -13.468 -14.865 -24.268 170 HB2 ARG 674 HB2 ARG 674 -12.388 -15.949 -22.198 171 HB3 ARG 674 HB1 ARG 674 -14.098 -16.207 -22.466 172 HG2 ARG 674 HG2 ARG 674 -13.356 -18.293 -21.778 173 HG3 ARG 674 HG1 ARG 674 -13.419 -18.461 -23.524 174 HD2 ARG 674 HD2 ARG 674 -10.982 -18.116 -23.626 175 HD3 ARG 674 HD1 ARG 674 -10.935 -17.941 -21.871 176 HE ARG 674 HE ARG 674 -12.013 -20.441 -22.918 177 HH11 ARG 674 HH11 ARG 674 -9.289 -18.802 -21.441 178 HH12 ARG 674 HH12 ARG 674 -8.410 -20.267 -21.159 179 HH21 ARG 674 HH21 ARG 674 -10.835 -22.343 -22.573 180 HH22 ARG 674 HH22 ARG 674 -9.284 -22.273 -21.808 181 H VAL 675 HN VAL 675 -11.710 -13.645 -24.232 182 HA VAL 675 HA VAL 675 -9.305 -14.671 -25.598 183 HB VAL 675 HB VAL 675 -8.864 -12.334 -26.296 184 HG11 VAL 675 HG11 VAL 675 -10.696 -12.161 -27.967 185 HG12 VAL 675 HG12 VAL 675 -11.611 -13.374 -27.068 186 HG13 VAL 675 HG13 VAL 675 -10.071 -13.805 -27.815 187 HG21 VAL 675 HG21 VAL 675 -10.604 -10.576 -26.095 188 HG22 VAL 675 HG22 VAL 675 -9.978 -11.056 -24.514 189 HG23 VAL 675 HG23 VAL 675 -11.554 -11.639 -25.052 190 H GLN 676 HN GLN 676 -7.591 -14.949 -24.425 191 HA GLN 676 HA GLN 676 -7.223 -13.824 -21.763 192 HB2 GLN 676 HB2 GLN 676 -5.532 -15.798 -23.391 193 HB3 GLN 676 HB1 GLN 676 -5.094 -15.241 -21.781 194 HG2 GLN 676 HG2 GLN 676 -6.089 -17.453 -21.671 195 HG3 GLN 676 HG1 GLN 676 -7.123 -16.286 -20.849 196 HE21 GLN 676 HE21 GLN 676 -9.101 -15.691 -21.817 197 HE22 GLN 676 HE22 GLN 676 -9.821 -16.630 -23.071 198 H CYS 677 HN CYS 677 -6.916 -11.644 -22.174 199 HA CYS 677 HA CYS 677 -5.126 -10.562 -24.080 200 HB2 CYS 677 HB2 CYS 677 -6.920 -9.213 -23.060 201 HB3 CYS 677 HB1 CYS 677 -6.109 -9.298 -21.495 202 H LEU 678 HN LEU 678 -3.221 -11.703 -23.933 203 HA LEU 678 HA LEU 678 -1.754 -12.300 -21.611 204 HB2 LEU 678 HB2 LEU 678 0.105 -12.830 -23.238 205 HB3 LEU 678 HB1 LEU 678 -1.436 -13.593 -23.568 206 HG LEU 678 HG LEU 678 -1.767 -11.548 -25.248 207 HD11 LEU 678 HD11 LEU 678 0.287 -10.817 -26.347 208 HD12 LEU 678 HD12 LEU 678 1.256 -11.672 -25.144 209 HD13 LEU 678 HD13 LEU 678 0.246 -10.305 -24.660 210 HD21 LEU 678 HD21 LEU 678 -1.737 -13.903 -25.925 211 HD22 LEU 678 HD22 LEU 678 0.029 -13.894 -25.937 212 HD23 LEU 678 HD23 LEU 678 -0.869 -12.896 -27.084 213 H LYS 679 HN LYS 679 -1.902 -9.392 -23.426 214 HA LYS 679 HA LYS 679 0.547 -8.177 -22.730 215 HB2 LYS 679 HB2 LYS 679 -0.831 -7.492 -24.652 216 HB3 LYS 679 HB1 LYS 679 -2.110 -6.958 -23.571 217 HG2 LYS 679 HG2 LYS 679 -0.834 -5.101 -22.799 218 HG3 LYS 679 HG1 LYS 679 0.655 -5.728 -23.508 219 HD2 LYS 679 HD2 LYS 679 -1.760 -4.815 -25.130 220 HD3 LYS 679 HD1 LYS 679 -0.366 -3.791 -24.766 221 HE2 LYS 679 HE2 LYS 679 1.079 -5.549 -25.917 222 HE3 LYS 679 HE1 LYS 679 -0.417 -6.326 -26.438 223 HZ1 LYS 679 HZ1 LYS 679 0.377 -3.544 -27.079 224 HZ2 LYS 679 HZ2 LYS 679 -0.997 -4.350 -27.658 225 HZ3 LYS 679 HZ3 LYS 679 0.549 -4.867 -28.113 226 H CYS 680 HN CYS 680 -2.384 -8.637 -20.851 227 HA CYS 680 HA CYS 680 -1.053 -7.410 -18.556 228 HB2 CYS 680 HB2 CYS 680 -2.872 -5.945 -17.918 229 HB3 CYS 680 HB1 CYS 680 -2.456 -5.568 -19.587 230 H HIS 681 HN HIS 681 -2.128 -10.113 -19.598 231 HA HIS 681 HA HIS 681 -3.121 -12.023 -18.885 232 HB2 HIS 681 HB2 HIS 681 -2.243 -10.895 -16.193 233 HB3 HIS 681 HB1 HIS 681 -2.790 -12.553 -16.435 234 HD1 HIS 681 HD1 HIS 681 -0.942 -14.171 -16.805 235 HD2 HIS 681 HD2 HIS 681 0.132 -10.335 -17.995 236 HE1 HIS 681 HE1 HIS 681 1.470 -14.327 -17.489 237 HE2 HIS 681 HE2 HIS 681 2.143 -11.961 -18.020 238 H LEU 682 HN LEU 682 -5.043 -10.259 -19.518 239 HA LEU 682 HA LEU 682 -7.015 -10.101 -17.315 240 HB2 LEU 682 HB2 LEU 682 -6.141 -8.065 -18.809 241 HB3 LEU 682 HB1 LEU 682 -7.308 -8.651 -19.966 242 HG LEU 682 HG LEU 682 -8.208 -6.785 -18.662 243 HD11 LEU 682 HD11 LEU 682 -9.812 -8.465 -19.417 244 HD12 LEU 682 HD12 LEU 682 -10.311 -7.737 -17.894 245 HD13 LEU 682 HD13 LEU 682 -9.610 -9.358 -17.906 246 HD21 LEU 682 HD21 LEU 682 -7.803 -8.505 -16.203 247 HD22 LEU 682 HD22 LEU 682 -8.582 -6.919 -16.253 248 HD23 LEU 682 HD23 LEU 682 -6.869 -7.071 -16.634 249 H TRP 683 HN TRP 683 -8.725 -11.453 -17.386 250 HA TRP 683 HA TRP 683 -9.062 -13.233 -19.699 251 HB2 TRP 683 HB2 TRP 683 -10.514 -13.521 -17.044 252 HB3 TRP 683 HB1 TRP 683 -10.169 -14.762 -18.240 253 HD1 TRP 683 HD1 TRP 683 -9.365 -14.472 -14.969 254 HE1 TRP 683 HE1 TRP 683 -6.970 -15.074 -14.317 255 HE3 TRP 683 HE3 TRP 683 -7.121 -14.157 -19.577 256 HZ2 TRP 683 HZ2 TRP 683 -4.470 -15.376 -15.542 257 HZ3 TRP 683 HZ3 TRP 683 -4.710 -14.627 -19.736 258 HH2 TRP 683 HH2 TRP 683 -3.410 -15.225 -17.755 259 H GLN 684 HN GLN 684 -10.202 -12.073 -21.178 260 HA GLN 684 HA GLN 684 -12.865 -11.031 -20.388 261 HB2 GLN 684 HB2 GLN 684 -10.821 -9.482 -21.299 262 HB3 GLN 684 HB1 GLN 684 -11.490 -9.949 -22.851 263 HG2 GLN 684 HG2 GLN 684 -13.217 -8.503 -22.654 264 HG3 GLN 684 HG1 GLN 684 -13.616 -9.060 -21.036 265 HE21 GLN 684 HE21 GLN 684 -12.443 -8.098 -19.244 266 HE22 GLN 684 HE22 GLN 684 -11.804 -6.510 -19.374 267 H HIS 685 HN HIS 685 -14.159 -10.750 -22.722 268 HA HIS 685 HA HIS 685 -14.125 -13.428 -23.965 269 HB2 HIS 685 HB2 HIS 685 -16.390 -11.490 -23.525 270 HB3 HIS 685 HB1 HIS 685 -16.526 -12.779 -24.710 271 HD2 HIS 685 HD2 HIS 685 -15.801 -15.429 -23.214 272 HE1 HIS 685 HE1 HIS 685 -18.195 -13.943 -20.058 273 HE2 HIS 685 HE2 HIS 685 -17.111 -16.018 -21.048 274 H ALA 686 HN ALA 686 -14.446 -13.649 -26.196 275 HA ALA 686 HA ALA 686 -13.153 -11.832 -27.888 276 HB1 ALA 686 HB1 ALA 686 -13.952 -13.265 -29.724 277 HB2 ALA 686 HB2 ALA 686 -15.091 -14.046 -28.626 278 HB3 ALA 686 HB3 ALA 686 -13.355 -14.240 -28.376 279 H LYS 687 HN LYS 687 -16.664 -12.660 -27.851 280 HA LYS 687 HA LYS 687 -17.391 -10.635 -29.702 281 HB2 LYS 687 HB2 LYS 687 -18.897 -12.611 -28.023 282 HB3 LYS 687 HB1 LYS 687 -19.805 -11.223 -28.589 283 HG2 LYS 687 HG2 LYS 687 -20.121 -13.048 -30.136 284 HG3 LYS 687 HG1 LYS 687 -19.215 -11.757 -30.925 285 HD2 LYS 687 HD2 LYS 687 -17.108 -13.041 -30.560 286 HD3 LYS 687 HD1 LYS 687 -18.046 -14.344 -29.821 287 HE2 LYS 687 HE2 LYS 687 -18.219 -13.382 -32.701 288 HE3 LYS 687 HE1 LYS 687 -17.543 -14.911 -32.139 289 HZ1 LYS 687 HZ1 LYS 687 -19.737 -15.577 -31.396 290 HZ2 LYS 687 HZ2 LYS 687 -19.779 -15.177 -33.040 291 HZ3 LYS 687 HZ3 LYS 687 -20.395 -14.101 -31.888 292 H CYS 688 HN CYS 688 -16.995 -10.521 -26.247 293 HA CYS 688 HA CYS 688 -18.535 -8.169 -25.723 294 HB2 CYS 688 HB2 CYS 688 -16.257 -9.408 -24.161 295 HB3 CYS 688 HB1 CYS 688 -17.226 -8.051 -23.586 296 H VAL 689 HN VAL 689 -15.346 -8.705 -27.028 297 HA VAL 689 HA VAL 689 -14.687 -5.812 -26.872 298 HB VAL 689 HB VAL 689 -12.334 -6.349 -26.957 299 HG11 VAL 689 HG11 VAL 689 -13.671 -8.248 -24.984 300 HG12 VAL 689 HG12 VAL 689 -13.375 -6.528 -24.730 301 HG13 VAL 689 HG13 VAL 689 -12.014 -7.640 -24.870 302 HG21 VAL 689 HG21 VAL 689 -12.339 -8.236 -28.539 303 HG22 VAL 689 HG22 VAL 689 -13.060 -9.288 -27.320 304 HG23 VAL 689 HG23 VAL 689 -11.425 -8.658 -27.087 305 H ASN 690 HN ASN 690 -16.281 -7.560 -28.874 306 HA ASN 690 HA ASN 690 -16.823 -7.594 -31.049 307 HB2 ASN 690 HB2 ASN 690 -15.016 -5.151 -31.146 308 HB3 ASN 690 HB1 ASN 690 -15.925 -5.712 -32.549 309 HD21 ASN 690 HD21 ASN 690 -16.130 -3.213 -30.980 310 HD22 ASN 690 HD22 ASN 690 -17.781 -3.104 -30.490 311 H TYR 691 HN TYR 691 -14.394 -8.996 -30.055 312 HA TYR 691 HA TYR 691 -13.014 -9.709 -32.559 313 HB2 TYR 691 HB2 TYR 691 -11.816 -9.247 -30.334 314 HB3 TYR 691 HB1 TYR 691 -12.547 -10.711 -29.701 315 HD1 TYR 691 HD1 TYR 691 -10.142 -9.401 -32.250 316 HD2 TYR 691 HD2 TYR 691 -11.527 -12.842 -30.132 317 HE1 TYR 691 HE1 TYR 691 -8.198 -10.679 -33.042 318 HE2 TYR 691 HE2 TYR 691 -9.587 -14.103 -30.913 319 HH TYR 691 HH TYR 691 -6.891 -12.716 -32.272 320 H ASP 692 HN ASP 692 -12.853 -12.223 -32.942 321 HA ASP 692 HA ASP 692 -15.322 -13.616 -32.032 322 HB2 ASP 692 HB2 ASP 692 -15.699 -14.563 -34.255 323 HB3 ASP 692 HB1 ASP 692 -15.691 -12.804 -34.348 324 H GLU 693 HN GLU 693 -15.160 -16.095 -32.767 325 HA GLU 693 HA GLU 693 -12.785 -16.961 -31.324 326 HB2 GLU 693 HB2 GLU 693 -13.904 -18.994 -30.768 327 HB3 GLU 693 HB1 GLU 693 -14.955 -17.639 -30.453 328 HG2 GLU 693 HG2 GLU 693 -16.542 -18.903 -31.402 329 HG3 GLU 693 HG1 GLU 693 -15.844 -18.346 -32.933 330 H LYS 694 HN LYS 694 -14.006 -17.118 -34.548 331 HA LYS 694 HA LYS 694 -12.641 -19.391 -35.518 332 HB2 LYS 694 HB2 LYS 694 -13.665 -16.874 -36.860 333 HB3 LYS 694 HB1 LYS 694 -12.690 -18.004 -37.784 334 HG2 LYS 694 HG2 LYS 694 -15.082 -18.383 -38.166 335 HG3 LYS 694 HG1 LYS 694 -14.323 -19.789 -37.413 336 HD2 LYS 694 HD2 LYS 694 -15.215 -19.052 -35.210 337 HD3 LYS 694 HD1 LYS 694 -16.013 -17.692 -36.000 338 HE2 LYS 694 HE2 LYS 694 -17.496 -19.172 -37.199 339 HE3 LYS 694 HE1 LYS 694 -16.577 -20.594 -36.694 340 HZ1 LYS 694 HZ1 LYS 694 -18.588 -20.318 -35.385 341 HZ2 LYS 694 HZ2 LYS 694 -18.082 -18.796 -34.869 342 HZ3 LYS 694 HZ3 LYS 694 -17.214 -20.178 -34.417 343 H ASN 695 HN ASN 695 -11.561 -16.029 -35.066 344 HA ASN 695 HA ASN 695 -8.813 -16.817 -35.798 345 HB2 ASN 695 HB2 ASN 695 -8.301 -14.344 -35.730 346 HB3 ASN 695 HB1 ASN 695 -9.408 -14.863 -36.983 347 HD21 ASN 695 HD21 ASN 695 -10.578 -14.392 -33.660 348 HD22 ASN 695 HD22 ASN 695 -11.446 -12.951 -34.024 349 H LEU 696 HN LEU 696 -10.644 -16.647 -33.010 350 HA LEU 696 HA LEU 696 -8.716 -15.798 -31.075 351 HB2 LEU 696 HB2 LEU 696 -11.190 -16.151 -30.736 352 HB3 LEU 696 HB1 LEU 696 -10.930 -17.876 -30.772 353 HG LEU 696 HG LEU 696 -9.690 -16.097 -28.634 354 HD11 LEU 696 HD11 LEU 696 -11.598 -16.669 -27.185 355 HD12 LEU 696 HD12 LEU 696 -12.389 -17.496 -28.527 356 HD13 LEU 696 HD13 LEU 696 -12.119 -15.749 -28.596 357 HD21 LEU 696 HD21 LEU 696 -8.709 -18.359 -28.780 358 HD22 LEU 696 HD22 LEU 696 -10.314 -19.081 -28.628 359 HD23 LEU 696 HD23 LEU 696 -9.624 -18.164 -27.285 360 H LYS 697 HN LYS 697 -9.442 -18.872 -32.651 361 HA LYS 697 HA LYS 697 -7.317 -20.345 -31.341 362 HB2 LYS 697 HB2 LYS 697 -9.465 -20.989 -33.347 363 HB3 LYS 697 HB1 LYS 697 -8.064 -22.051 -33.302 364 HG2 LYS 697 HG2 LYS 697 -9.693 -23.049 -31.906 365 HG3 LYS 697 HG1 LYS 697 -8.487 -22.359 -30.823 366 HD2 LYS 697 HD2 LYS 697 -10.546 -21.797 -29.806 367 HD3 LYS 697 HD1 LYS 697 -10.086 -20.319 -30.658 368 HE2 LYS 697 HE2 LYS 697 -12.424 -20.672 -31.064 369 HE3 LYS 697 HE1 LYS 697 -11.571 -21.050 -32.558 370 HZ1 LYS 697 HZ1 LYS 697 -12.595 -23.031 -30.604 371 HZ2 LYS 697 HZ2 LYS 697 -11.754 -23.390 -32.026 372 HZ3 LYS 697 HZ3 LYS 697 -13.274 -22.661 -32.108 373 H ILE 698 HN ILE 698 -6.974 -17.950 -33.523 374 HA ILE 698 HA ILE 698 -4.601 -19.198 -34.820 375 HB ILE 698 HB ILE 698 -6.305 -17.027 -36.151 376 HG12 ILE 698 HG12 ILE 698 -6.402 -20.010 -36.798 377 HG13 ILE 698 HG11 ILE 698 -7.642 -19.109 -35.925 378 HG21 ILE 698 HG21 ILE 698 -5.038 -17.595 -38.194 379 HG22 ILE 698 HG22 ILE 698 -4.113 -18.803 -37.300 380 HG23 ILE 698 HG23 ILE 698 -3.963 -17.093 -36.888 381 HD11 ILE 698 HD11 ILE 698 -8.271 -19.459 -38.240 382 HD12 ILE 698 HD12 ILE 698 -6.808 -18.638 -38.785 383 HD13 ILE 698 HD13 ILE 698 -8.052 -17.737 -37.909 384 H LYS 699 HN LYS 699 -6.056 -15.995 -34.647 385 HA LYS 699 HA LYS 699 -3.493 -14.663 -34.597 386 HB2 LYS 699 HB2 LYS 699 -6.388 -13.766 -34.871 387 HB3 LYS 699 HB1 LYS 699 -5.063 -12.609 -34.829 388 HG2 LYS 699 HG2 LYS 699 -4.284 -13.184 -36.930 389 HG3 LYS 699 HG1 LYS 699 -4.877 -14.835 -36.828 390 HD2 LYS 699 HD2 LYS 699 -6.068 -13.432 -38.536 391 HD3 LYS 699 HD1 LYS 699 -7.141 -14.135 -37.329 392 HE2 LYS 699 HE2 LYS 699 -7.124 -11.932 -36.116 393 HE3 LYS 699 HE1 LYS 699 -6.164 -11.266 -37.436 394 HZ1 LYS 699 HZ1 LYS 699 -7.982 -11.727 -38.946 395 HZ2 LYS 699 HZ2 LYS 699 -8.513 -10.764 -37.664 396 HZ3 LYS 699 HZ3 LYS 699 -8.893 -12.408 -37.691 397 HA PRO 700 HA PRO 700 -3.313 -13.369 -30.224 398 HB2 PRO 700 HB2 PRO 700 -2.421 -10.744 -30.562 399 HB3 PRO 700 HB1 PRO 700 -1.381 -12.175 -30.617 400 HG2 PRO 700 HG2 PRO 700 -2.684 -10.696 -32.910 401 HG3 PRO 700 HG1 PRO 700 -0.990 -11.219 -32.743 402 HD2 PRO 700 HD2 PRO 700 -2.662 -12.646 -34.215 403 HD3 PRO 700 HD1 PRO 700 -1.548 -13.493 -33.115 404 H PHE 701 HN PHE 701 -4.376 -12.069 -28.696 405 HA PHE 701 HA PHE 701 -6.580 -10.351 -29.558 406 HB2 PHE 701 HB2 PHE 701 -8.015 -11.717 -27.798 407 HB3 PHE 701 HB1 PHE 701 -7.892 -12.259 -29.462 408 HD1 PHE 701 HD2 PHE 701 -5.974 -12.737 -26.236 409 HD2 PHE 701 HD1 PHE 701 -7.662 -14.563 -29.715 410 HE1 PHE 701 HE2 PHE 701 -5.246 -14.952 -25.446 411 HE2 PHE 701 HE1 PHE 701 -6.931 -16.763 -28.902 412 HZ PHE 701 HZ PHE 701 -5.723 -16.963 -26.776 413 H TYR 702 HN TYR 702 -7.234 -8.851 -28.032 414 HA TYR 702 HA TYR 702 -5.892 -8.766 -25.415 415 HB2 TYR 702 HB2 TYR 702 -5.806 -6.371 -27.310 416 HB3 TYR 702 HB1 TYR 702 -5.042 -6.503 -25.732 417 HD1 TYR 702 HD1 TYR 702 -3.146 -8.311 -25.488 418 HD2 TYR 702 HD2 TYR 702 -4.571 -6.900 -29.265 419 HE1 TYR 702 HE1 TYR 702 -1.098 -9.132 -26.573 420 HE2 TYR 702 HE2 TYR 702 -2.522 -7.718 -30.341 421 HH TYR 702 HH TYR 702 -0.289 -9.783 -28.741 422 H CYS 703 HN CYS 703 -6.780 -7.003 -24.051 423 HA CYS 703 HA CYS 703 -9.679 -6.683 -24.309 424 HB2 CYS 703 HB2 CYS 703 -9.668 -6.074 -21.996 425 HB3 CYS 703 HB1 CYS 703 -8.465 -7.354 -22.127 426 HA PRO 704 HA PRO 704 -9.631 -2.743 -26.232 427 HB2 PRO 704 HB2 PRO 704 -11.680 -1.342 -24.968 428 HB3 PRO 704 HB1 PRO 704 -11.935 -2.631 -26.150 429 HG2 PRO 704 HG2 PRO 704 -11.940 -2.792 -23.135 430 HG3 PRO 704 HG1 PRO 704 -13.106 -3.478 -24.289 431 HD2 PRO 704 HD2 PRO 704 -11.227 -5.020 -23.211 432 HD3 PRO 704 HD1 PRO 704 -11.646 -5.203 -24.929 433 H HIS 705 HN HIS 705 -9.258 -2.604 -22.738 434 HA HIS 705 HA HIS 705 -8.534 0.114 -22.428 435 HB2 HIS 705 HB2 HIS 705 -9.101 -1.442 -20.539 436 HB3 HIS 705 HB1 HIS 705 -7.561 -2.255 -20.781 437 HD1 HIS 705 HD1 HIS 705 -9.000 1.045 -19.640 438 HD2 HIS 705 HD2 HIS 705 -5.390 -1.019 -19.529 439 HE1 HIS 705 HE1 HIS 705 -7.534 2.340 -18.058 440 HE2 HIS 705 HE2 HIS 705 -5.300 1.185 -18.167 441 H CYS 706 HN CYS 706 -6.603 -2.787 -23.106 442 HA CYS 706 HA CYS 706 -4.070 -1.519 -23.325 443 HB2 CYS 706 HB2 CYS 706 -5.120 -4.140 -24.436 444 HB3 CYS 706 HB1 CYS 706 -3.453 -3.612 -24.666 445 H LEU 707 HN LEU 707 -6.633 -2.206 -25.719 446 HA LEU 707 HA LEU 707 -5.254 -1.540 -28.069 447 HB2 LEU 707 HB2 LEU 707 -8.193 -1.566 -27.364 448 HB3 LEU 707 HB1 LEU 707 -7.694 -0.896 -28.906 449 HG LEU 707 HG LEU 707 -6.661 -3.072 -29.526 450 HD11 LEU 707 HD11 LEU 707 -7.079 -5.090 -28.238 451 HD12 LEU 707 HD12 LEU 707 -7.863 -4.147 -26.967 452 HD13 LEU 707 HD13 LEU 707 -6.142 -3.935 -27.293 453 HD21 LEU 707 HD21 LEU 707 -9.587 -3.308 -28.743 454 HD22 LEU 707 HD22 LEU 707 -8.744 -4.297 -29.940 455 HD23 LEU 707 HD23 LEU 707 -8.971 -2.573 -30.226 456 H VAL 708 HN VAL 708 -7.261 0.555 -25.982 457 HA VAL 708 HA VAL 708 -6.952 2.975 -27.409 458 HB VAL 708 HB VAL 708 -7.524 2.520 -24.435 459 HG11 VAL 708 HG11 VAL 708 -8.417 4.842 -24.392 460 HG12 VAL 708 HG12 VAL 708 -7.850 5.085 -26.044 461 HG13 VAL 708 HG13 VAL 708 -6.689 4.813 -24.747 462 HG21 VAL 708 HG21 VAL 708 -9.429 3.087 -26.746 463 HG22 VAL 708 HG22 VAL 708 -9.892 2.917 -25.050 464 HG23 VAL 708 HG23 VAL 708 -9.230 1.537 -25.927 465 H ALA 709 HN ALA 709 -5.051 1.484 -24.815 466 HA ALA 709 HA ALA 709 -3.268 3.669 -24.344 467 HB1 ALA 709 HB1 ALA 709 -2.936 0.720 -23.679 468 HB2 ALA 709 HB2 ALA 709 -3.723 1.928 -22.662 469 HB3 ALA 709 HB3 ALA 709 -1.997 2.054 -22.993 470 H MET 710 HN MET 710 -3.345 1.118 -26.698 471 HA MET 710 HA MET 710 -0.553 1.223 -27.478 472 HB2 MET 710 HB2 MET 710 -3.013 -0.125 -28.666 473 HB3 MET 710 HB1 MET 710 -1.427 -0.231 -29.421 474 HG2 MET 710 HG2 MET 710 -0.538 -1.485 -27.608 475 HG3 MET 710 HG1 MET 710 -1.903 -1.099 -26.567 476 HE1 MET 710 HE1 MET 710 -0.883 -3.068 -29.893 477 HE2 MET 710 HE2 MET 710 -2.280 -2.099 -30.362 478 HE3 MET 710 HE3 MET 710 -2.418 -3.854 -30.262 479 H GLU 711 HN GLU 711 -3.507 2.843 -28.362 480 HA GLU 711 HA GLU 711 -2.590 3.898 -30.891 481 HB2 GLU 711 HB2 GLU 711 -5.002 4.628 -29.160 482 HB3 GLU 711 HB1 GLU 711 -4.720 5.219 -30.798 483 HG2 GLU 711 HG2 GLU 711 -4.885 2.930 -31.665 484 HG3 GLU 711 HG1 GLU 711 -5.120 2.313 -30.032 485 HA PRO 712 HA PRO 712 -0.735 7.632 -29.034 486 HB2 PRO 712 HB2 PRO 712 -0.299 9.107 -31.255 487 HB3 PRO 712 HB1 PRO 712 0.606 7.617 -30.949 488 HG2 PRO 712 HG2 PRO 712 -1.764 8.057 -32.756 489 HG3 PRO 712 HG1 PRO 712 -0.277 7.135 -33.063 490 HD2 PRO 712 HD2 PRO 712 -2.672 5.979 -32.262 491 HD3 PRO 712 HD1 PRO 712 -1.076 5.254 -31.981 492 H VAL 713 HN VAL 713 -1.517 9.553 -28.193 493 HA VAL 713 HA VAL 713 -4.251 10.326 -28.684 494 HB VAL 713 HB VAL 713 -3.944 12.062 -26.962 495 HG11 VAL 713 HG11 VAL 713 -2.674 9.432 -26.115 496 HG12 VAL 713 HG12 VAL 713 -4.404 9.766 -26.206 497 HG13 VAL 713 HG13 VAL 713 -3.403 10.622 -25.033 498 HG21 VAL 713 HG21 VAL 713 -1.664 12.844 -27.475 499 HG22 VAL 713 HG22 VAL 713 -0.985 11.309 -26.932 500 HG23 VAL 713 HG23 VAL 713 -1.772 12.384 -25.773 501 H SER 714 HN SER 714 -5.020 12.051 -29.839 502 HA SER 714 HA SER 714 -3.296 13.175 -31.877 503 HB2 SER 714 HB2 SER 714 -5.588 12.345 -32.412 504 HB3 SER 714 HB1 SER 714 -6.283 13.603 -31.391 505 HG SER 714 HG SER 714 -6.319 14.531 -33.343 506 H THR 715 HN THR 715 -2.664 15.275 -32.087 507 HA THR 715 HA THR 715 -2.753 17.086 -29.832 508 HB THR 715 HB THR 715 -1.714 17.612 -32.663 509 HG1 THR 715 HG1 THR 715 -0.460 16.392 -30.412 510 HG21 THR 715 HG21 THR 715 -1.877 19.662 -31.272 511 HG22 THR 715 HG22 THR 715 -0.194 19.229 -31.578 512 HG23 THR 715 HG23 THR 715 -0.920 18.880 -30.008 513 H ARG 716 HN ARG 716 -3.797 19.191 -29.817 514 HA ARG 716 HA ARG 716 -6.354 19.307 -31.117 515 HB2 ARG 716 HB2 ARG 716 -4.982 21.436 -29.428 516 HB3 ARG 716 HB1 ARG 716 -6.679 21.419 -29.908 517 HG2 ARG 716 HG2 ARG 716 -6.727 19.082 -28.682 518 HG3 ARG 716 HG1 ARG 716 -5.249 19.663 -27.907 519 HD2 ARG 716 HD2 ARG 716 -6.480 21.653 -27.100 520 HD3 ARG 716 HD1 ARG 716 -7.950 21.037 -27.873 521 HE ARG 716 HE ARG 716 -6.592 19.371 -25.862 522 HH11 ARG 716 HH11 ARG 716 -9.432 21.291 -26.671 523 HH12 ARG 716 HH12 ARG 716 -10.329 20.744 -25.295 524 HH21 ARG 716 HH21 ARG 716 -7.776 18.670 -24.096 525 HH22 ARG 716 HH22 ARG 716 -9.386 19.246 -23.828 Start of MODEL 12 1 H PHE 652 HT1 PHE 652 -4.942 -12.171 4.905 2 HA PHE 652 HA PHE 652 -2.486 -11.063 6.132 3 HB2 PHE 652 HB2 PHE 652 -2.792 -13.141 3.915 4 HB3 PHE 652 HB1 PHE 652 -1.270 -12.539 4.563 5 HD1 PHE 652 HD1 PHE 652 -0.897 -12.900 7.151 6 HD2 PHE 652 HD2 PHE 652 -3.699 -15.137 4.821 7 HE1 PHE 652 HE1 PHE 652 -0.883 -14.686 8.844 8 HE2 PHE 652 HE2 PHE 652 -3.676 -16.919 6.523 9 HZ PHE 652 HZ PHE 652 -2.268 -16.696 8.533 10 H ASN 653 HN ASN 653 -1.184 -9.802 4.630 11 HA ASN 653 HA ASN 653 -2.754 -8.105 2.882 12 HB2 ASN 653 HB2 ASN 653 0.221 -8.093 3.552 13 HB3 ASN 653 HB1 ASN 653 -0.607 -6.845 2.624 14 HD21 ASN 653 HD21 ASN 653 -2.123 -5.508 3.678 15 HD22 ASN 653 HD22 ASN 653 -2.096 -5.288 5.394 16 H THR 654 HN THR 654 -3.400 -9.602 1.320 17 HA THR 654 HA THR 654 -1.422 -10.352 -0.733 18 HB THR 654 HB THR 654 -2.719 -12.539 -0.999 19 HG1 THR 654 HG1 THR 654 -4.183 -13.129 0.513 20 HG21 THR 654 HG21 THR 654 -0.529 -12.571 0.138 21 HG22 THR 654 HG22 THR 654 -1.637 -13.730 0.877 22 HG23 THR 654 HG23 THR 654 -1.314 -12.190 1.675 23 H SER 655 HN SER 655 -2.065 -9.353 -2.574 24 HA SER 655 HA SER 655 -4.887 -9.413 -3.406 25 HB2 SER 655 HB2 SER 655 -4.806 -7.016 -4.087 26 HB3 SER 655 HB1 SER 655 -4.589 -7.194 -2.345 27 HG SER 655 HG SER 655 -2.559 -6.767 -4.288 28 H ASP 656 HN ASP 656 -5.185 -9.356 -5.656 29 HA ASP 656 HA ASP 656 -2.803 -9.467 -7.419 30 HB2 ASP 656 HB2 ASP 656 -5.275 -11.267 -7.532 31 HB3 ASP 656 HB1 ASP 656 -4.066 -11.184 -8.809 32 H TYR 657 HN TYR 657 -3.557 -9.278 -9.768 33 HA TYR 657 HA TYR 657 -5.335 -7.057 -10.193 34 HB2 TYR 657 HB2 TYR 657 -4.074 -8.994 -12.195 35 HB3 TYR 657 HB1 TYR 657 -4.932 -7.513 -12.619 36 HD1 TYR 657 HD1 TYR 657 -3.916 -5.281 -12.113 37 HD2 TYR 657 HD2 TYR 657 -1.772 -8.899 -11.335 38 HE1 TYR 657 HE1 TYR 657 -1.834 -4.003 -11.884 39 HE2 TYR 657 HE2 TYR 657 0.305 -7.603 -11.117 40 HH TYR 657 HH TYR 657 1.179 -5.379 -11.935 41 H ARG 658 HN ARG 658 -7.467 -7.132 -10.780 42 HA ARG 658 HA ARG 658 -8.938 -9.589 -10.395 43 HB2 ARG 658 HB2 ARG 658 -9.866 -6.774 -11.126 44 HB3 ARG 658 HB1 ARG 658 -10.961 -8.126 -10.906 45 HG2 ARG 658 HG2 ARG 658 -11.035 -6.841 -8.900 46 HG3 ARG 658 HG1 ARG 658 -10.147 -8.316 -8.523 47 HD2 ARG 658 HD2 ARG 658 -8.022 -7.087 -8.661 48 HD3 ARG 658 HD1 ARG 658 -8.890 -5.618 -9.117 49 HE ARG 658 HE ARG 658 -10.024 -6.236 -6.746 50 HH11 ARG 658 HH11 ARG 658 -6.638 -5.963 -7.646 51 HH12 ARG 658 HH12 ARG 658 -6.159 -5.347 -6.102 52 HH21 ARG 658 HH21 ARG 658 -9.370 -5.450 -4.726 53 HH22 ARG 658 HH22 ARG 658 -7.705 -5.055 -4.450 54 H PHE 659 HN PHE 659 -8.051 -10.840 -12.135 55 HA PHE 659 HA PHE 659 -8.392 -10.054 -14.876 56 HB2 PHE 659 HB2 PHE 659 -7.821 -12.671 -15.200 57 HB3 PHE 659 HB1 PHE 659 -6.595 -11.455 -14.899 58 HD1 PHE 659 HD2 PHE 659 -8.696 -14.032 -13.168 59 HD2 PHE 659 HD1 PHE 659 -5.131 -11.680 -13.070 60 HE1 PHE 659 HE2 PHE 659 -7.898 -15.302 -11.220 61 HE2 PHE 659 HE1 PHE 659 -4.344 -12.950 -11.117 62 HZ PHE 659 HZ PHE 659 -5.725 -14.760 -10.187 63 H GLU 660 HN GLU 660 -10.570 -9.504 -14.862 64 HA GLU 660 HA GLU 660 -12.523 -11.724 -15.095 65 HB2 GLU 660 HB2 GLU 660 -13.027 -9.060 -13.681 66 HB3 GLU 660 HB1 GLU 660 -14.203 -10.356 -13.906 67 HG2 GLU 660 HG2 GLU 660 -12.924 -11.810 -12.419 68 HG3 GLU 660 HG1 GLU 660 -11.673 -10.576 -12.242 69 H CYS 661 HN CYS 661 -14.414 -11.121 -16.401 70 HA CYS 661 HA CYS 661 -13.704 -9.378 -18.612 71 HB2 CYS 661 HB2 CYS 661 -14.809 -11.633 -18.931 72 HB3 CYS 661 HB1 CYS 661 -16.299 -10.917 -18.301 73 H ILE 662 HN ILE 662 -14.892 -7.539 -19.313 74 HA ILE 662 HA ILE 662 -15.731 -5.798 -17.256 75 HB ILE 662 HB ILE 662 -16.459 -4.235 -19.106 76 HG12 ILE 662 HG12 ILE 662 -15.512 -6.469 -20.976 77 HG13 ILE 662 HG11 ILE 662 -17.193 -6.000 -20.749 78 HG21 ILE 662 HG21 ILE 662 -14.187 -3.819 -19.961 79 HG22 ILE 662 HG22 ILE 662 -13.676 -5.421 -19.422 80 HG23 ILE 662 HG23 ILE 662 -14.160 -4.204 -18.239 81 HD11 ILE 662 HD11 ILE 662 -15.015 -4.257 -21.899 82 HD12 ILE 662 HD12 ILE 662 -16.709 -3.797 -21.699 83 HD13 ILE 662 HD13 ILE 662 -16.270 -5.101 -22.802 84 H CYS 663 HN CYS 663 -17.673 -7.966 -19.236 85 HA CYS 663 HA CYS 663 -20.217 -6.769 -18.500 86 HB2 CYS 663 HB2 CYS 663 -21.263 -8.633 -19.670 87 HB3 CYS 663 HB1 CYS 663 -19.918 -8.043 -20.640 88 H GLY 664 HN GLY 664 -18.033 -8.972 -17.002 89 HA2 GLY 664 HA2 GLY 664 -18.080 -10.120 -15.014 90 HA3 GLY 664 HA1 GLY 664 -19.642 -9.384 -14.667 91 H GLU 665 HN GLU 665 -18.190 -11.813 -16.841 92 HA GLU 665 HA GLU 665 -20.301 -13.764 -16.356 93 HB2 GLU 665 HB2 GLU 665 -20.865 -11.970 -18.286 94 HB3 GLU 665 HB1 GLU 665 -19.820 -12.988 -19.250 95 HG2 GLU 665 HG2 GLU 665 -22.340 -13.904 -17.842 96 HG3 GLU 665 HG1 GLU 665 -22.240 -13.401 -19.521 97 H LEU 666 HN LEU 666 -19.762 -15.855 -17.393 98 HA LEU 666 HA LEU 666 -17.398 -16.931 -16.637 99 HB2 LEU 666 HB2 LEU 666 -19.092 -17.868 -18.980 100 HB3 LEU 666 HB1 LEU 666 -17.916 -18.864 -18.134 101 HG LEU 666 HG LEU 666 -20.443 -17.714 -16.869 102 HD11 LEU 666 HD11 LEU 666 -21.338 -19.995 -16.970 103 HD12 LEU 666 HD12 LEU 666 -19.904 -20.538 -17.844 104 HD13 LEU 666 HD13 LEU 666 -21.002 -19.367 -18.582 105 HD21 LEU 666 HD21 LEU 666 -18.667 -18.088 -15.209 106 HD22 LEU 666 HD22 LEU 666 -18.478 -19.754 -15.760 107 HD23 LEU 666 HD23 LEU 666 -19.986 -19.239 -14.997 108 H ASP 667 HN ASP 667 -15.345 -16.981 -17.299 109 HA ASP 667 HA ASP 667 -14.513 -15.731 -19.829 110 HB2 ASP 667 HB2 ASP 667 -12.246 -15.748 -18.789 111 HB3 ASP 667 HB1 ASP 667 -13.437 -14.966 -17.762 112 H GLN 668 HN GLN 668 -15.761 -18.236 -20.181 113 HA GLN 668 HA GLN 668 -13.575 -19.983 -21.139 114 HB2 GLN 668 HB2 GLN 668 -14.889 -21.969 -20.373 115 HB3 GLN 668 HB1 GLN 668 -14.326 -20.954 -19.048 116 HG2 GLN 668 HG2 GLN 668 -16.633 -19.895 -19.002 117 HG3 GLN 668 HG1 GLN 668 -17.144 -21.135 -20.151 118 HE21 GLN 668 HE21 GLN 668 -16.202 -20.475 -16.858 119 HE22 GLN 668 HE22 GLN 668 -16.695 -21.994 -16.194 120 H ILE 669 HN ILE 669 -14.088 -21.288 -22.976 121 HA ILE 669 HA ILE 669 -15.822 -20.014 -24.896 122 HB ILE 669 HB ILE 669 -14.381 -22.672 -25.342 123 HG12 ILE 669 HG12 ILE 669 -13.172 -19.884 -25.669 124 HG13 ILE 669 HG11 ILE 669 -12.738 -21.038 -24.417 125 HG21 ILE 669 HG21 ILE 669 -14.296 -21.959 -27.710 126 HG22 ILE 669 HG22 ILE 669 -15.112 -20.449 -27.299 127 HG23 ILE 669 HG23 ILE 669 -15.959 -21.986 -27.123 128 HD11 ILE 669 HD11 ILE 669 -12.271 -21.354 -27.381 129 HD12 ILE 669 HD12 ILE 669 -11.863 -22.554 -26.152 130 HD13 ILE 669 HD13 ILE 669 -11.067 -20.981 -26.149 131 H ASP 670 HN ASP 670 -16.336 -22.373 -22.574 132 HA ASP 670 HA ASP 670 -17.947 -24.364 -23.514 133 HB2 ASP 670 HB2 ASP 670 -17.179 -24.163 -21.174 134 HB3 ASP 670 HB1 ASP 670 -18.257 -22.796 -20.916 135 H ARG 671 HN ARG 671 -18.962 -21.034 -22.823 136 HA ARG 671 HA ARG 671 -21.542 -21.562 -24.188 137 HB2 ARG 671 HB2 ARG 671 -21.875 -20.840 -21.850 138 HB3 ARG 671 HB1 ARG 671 -20.884 -19.414 -22.126 139 HG2 ARG 671 HG2 ARG 671 -23.264 -18.840 -22.126 140 HG3 ARG 671 HG1 ARG 671 -22.542 -18.527 -23.702 141 HD2 ARG 671 HD2 ARG 671 -23.487 -20.741 -24.478 142 HD3 ARG 671 HD1 ARG 671 -24.344 -20.848 -22.937 143 HE ARG 671 HE ARG 671 -25.032 -18.394 -23.966 144 HH11 ARG 671 HH11 ARG 671 -25.398 -21.718 -25.099 145 HH12 ARG 671 HH12 ARG 671 -26.811 -21.358 -26.036 146 HH21 ARG 671 HH21 ARG 671 -26.858 -17.949 -25.204 147 HH22 ARG 671 HH22 ARG 671 -27.641 -19.215 -26.092 148 H LYS 672 HN LYS 672 -19.097 -18.965 -23.673 149 HA LYS 672 HA LYS 672 -19.737 -17.895 -26.372 150 HB2 LYS 672 HB2 LYS 672 -19.086 -16.305 -23.848 151 HB3 LYS 672 HB1 LYS 672 -19.294 -15.609 -25.451 152 HG2 LYS 672 HG2 LYS 672 -21.420 -16.997 -23.797 153 HG3 LYS 672 HG1 LYS 672 -21.275 -15.261 -24.075 154 HD2 LYS 672 HD2 LYS 672 -21.858 -17.369 -26.197 155 HD3 LYS 672 HD1 LYS 672 -23.044 -16.282 -25.472 156 HE2 LYS 672 HE2 LYS 672 -21.758 -14.339 -26.418 157 HE3 LYS 672 HE1 LYS 672 -20.686 -15.494 -27.219 158 HZ1 LYS 672 HZ1 LYS 672 -22.454 -14.654 -28.666 159 HZ2 LYS 672 HZ2 LYS 672 -23.619 -15.338 -27.644 160 HZ3 LYS 672 HZ3 LYS 672 -22.527 -16.334 -28.473 161 HA PRO 673 HA PRO 673 -15.281 -17.962 -27.366 162 HB2 PRO 673 HB2 PRO 673 -15.959 -15.290 -28.628 163 HB3 PRO 673 HB1 PRO 673 -15.052 -16.653 -29.305 164 HG2 PRO 673 HG2 PRO 673 -17.564 -16.234 -30.064 165 HG3 PRO 673 HG1 PRO 673 -17.002 -17.891 -29.752 166 HD2 PRO 673 HD2 PRO 673 -18.704 -16.106 -28.028 167 HD3 PRO 673 HD1 PRO 673 -18.828 -17.856 -28.321 168 H ARG 674 HN ARG 674 -13.490 -17.183 -26.296 169 HA ARG 674 HA ARG 674 -13.690 -14.723 -24.684 170 HB2 ARG 674 HB2 ARG 674 -12.788 -15.954 -22.702 171 HB3 ARG 674 HB1 ARG 674 -14.392 -16.476 -23.179 172 HG2 ARG 674 HG2 ARG 674 -13.425 -18.516 -22.780 173 HG3 ARG 674 HG1 ARG 674 -13.076 -18.360 -24.495 174 HD2 ARG 674 HD2 ARG 674 -10.796 -17.501 -23.869 175 HD3 ARG 674 HD1 ARG 674 -11.188 -17.840 -22.179 176 HE ARG 674 HE ARG 674 -10.731 -19.801 -24.325 177 HH11 ARG 674 HH11 ARG 674 -11.367 -19.269 -20.901 178 HH12 ARG 674 HH12 ARG 674 -10.890 -20.876 -20.455 179 HH21 ARG 674 HH21 ARG 674 -10.119 -21.876 -23.716 180 HH22 ARG 674 HH22 ARG 674 -10.148 -22.336 -22.045 181 H VAL 675 HN VAL 675 -11.624 -13.929 -23.924 182 HA VAL 675 HA VAL 675 -9.299 -14.817 -25.501 183 HB VAL 675 HB VAL 675 -8.672 -12.449 -25.935 184 HG11 VAL 675 HG11 VAL 675 -10.351 -11.973 -27.697 185 HG12 VAL 675 HG12 VAL 675 -11.429 -13.178 -26.987 186 HG13 VAL 675 HG13 VAL 675 -9.883 -13.676 -27.676 187 HG21 VAL 675 HG21 VAL 675 -10.299 -10.603 -25.640 188 HG22 VAL 675 HG22 VAL 675 -9.853 -11.310 -24.085 189 HG23 VAL 675 HG23 VAL 675 -11.407 -11.706 -24.819 190 H GLN 676 HN GLN 676 -7.563 -15.132 -24.339 191 HA GLN 676 HA GLN 676 -7.226 -14.132 -21.615 192 HB2 GLN 676 HB2 GLN 676 -5.693 -16.104 -23.365 193 HB3 GLN 676 HB1 GLN 676 -4.942 -15.443 -21.923 194 HG2 GLN 676 HG2 GLN 676 -5.934 -17.678 -21.575 195 HG3 GLN 676 HG1 GLN 676 -6.596 -16.454 -20.497 196 HE21 GLN 676 HE21 GLN 676 -8.751 -15.823 -20.741 197 HE22 GLN 676 HE22 GLN 676 -9.877 -16.727 -21.668 198 H CYS 677 HN CYS 677 -6.963 -11.914 -21.900 199 HA CYS 677 HA CYS 677 -5.273 -10.690 -23.820 200 HB2 CYS 677 HB2 CYS 677 -7.085 -9.448 -22.668 201 HB3 CYS 677 HB1 CYS 677 -6.177 -9.519 -21.160 202 H LEU 678 HN LEU 678 -3.319 -11.672 -23.820 203 HA LEU 678 HA LEU 678 -1.699 -12.383 -21.660 204 HB2 LEU 678 HB2 LEU 678 0.100 -12.609 -23.427 205 HB3 LEU 678 HB1 LEU 678 -1.406 -13.433 -23.768 206 HG LEU 678 HG LEU 678 -1.951 -11.246 -25.196 207 HD11 LEU 678 HD11 LEU 678 1.073 -11.173 -25.234 208 HD12 LEU 678 HD12 LEU 678 0.005 -9.937 -24.560 209 HD13 LEU 678 HD13 LEU 678 -0.006 -10.260 -26.291 210 HD21 LEU 678 HD21 LEU 678 -1.057 -12.304 -27.220 211 HD22 LEU 678 HD22 LEU 678 -1.800 -13.500 -26.158 212 HD23 LEU 678 HD23 LEU 678 -0.041 -13.366 -26.236 213 H LYS 679 HN LYS 679 -2.098 -9.327 -23.188 214 HA LYS 679 HA LYS 679 0.409 -8.162 -22.580 215 HB2 LYS 679 HB2 LYS 679 -1.037 -7.489 -24.463 216 HB3 LYS 679 HB1 LYS 679 -2.229 -6.866 -23.336 217 HG2 LYS 679 HG2 LYS 679 -1.010 -4.959 -22.860 218 HG3 LYS 679 HG1 LYS 679 0.545 -5.731 -23.168 219 HD2 LYS 679 HD2 LYS 679 -1.458 -5.027 -25.350 220 HD3 LYS 679 HD1 LYS 679 -0.125 -3.976 -24.863 221 HE2 LYS 679 HE2 LYS 679 1.487 -5.781 -25.476 222 HE3 LYS 679 HE1 LYS 679 0.136 -6.786 -26.006 223 HZ1 LYS 679 HZ1 LYS 679 -0.354 -5.146 -27.713 224 HZ2 LYS 679 HZ2 LYS 679 1.244 -5.675 -27.837 225 HZ3 LYS 679 HZ3 LYS 679 0.912 -4.165 -27.164 226 H CYS 680 HN CYS 680 -2.482 -8.575 -20.641 227 HA CYS 680 HA CYS 680 -1.131 -7.179 -18.432 228 HB2 CYS 680 HB2 CYS 680 -2.967 -5.745 -17.871 229 HB3 CYS 680 HB1 CYS 680 -2.679 -5.518 -19.595 230 H HIS 681 HN HIS 681 -2.135 -9.994 -19.311 231 HA HIS 681 HA HIS 681 -3.080 -11.881 -18.466 232 HB2 HIS 681 HB2 HIS 681 -2.074 -10.646 -15.862 233 HB3 HIS 681 HB1 HIS 681 -2.592 -12.319 -16.029 234 HD1 HIS 681 HD1 HIS 681 -0.435 -13.550 -15.700 235 HD2 HIS 681 HD2 HIS 681 -0.051 -10.458 -18.455 236 HE1 HIS 681 HE1 HIS 681 1.902 -13.746 -16.613 237 HE2 HIS 681 HE2 HIS 681 2.030 -11.991 -18.410 238 H LEU 682 HN LEU 682 -5.172 -11.025 -19.160 239 HA LEU 682 HA LEU 682 -7.093 -10.471 -16.969 240 HB2 LEU 682 HB2 LEU 682 -6.149 -8.322 -18.010 241 HB3 LEU 682 HB1 LEU 682 -6.858 -8.804 -19.532 242 HG LEU 682 HG LEU 682 -8.136 -7.023 -18.381 243 HD11 LEU 682 HD11 LEU 682 -10.377 -7.919 -18.601 244 HD12 LEU 682 HD12 LEU 682 -9.755 -9.571 -18.546 245 HD13 LEU 682 HD13 LEU 682 -9.343 -8.516 -19.898 246 HD21 LEU 682 HD21 LEU 682 -7.639 -7.698 -16.055 247 HD22 LEU 682 HD22 LEU 682 -8.770 -9.041 -16.229 248 HD23 LEU 682 HD23 LEU 682 -9.350 -7.378 -16.335 249 H TRP 683 HN TRP 683 -8.777 -11.856 -17.226 250 HA TRP 683 HA TRP 683 -9.122 -13.298 -19.754 251 HB2 TRP 683 HB2 TRP 683 -10.773 -13.812 -17.255 252 HB3 TRP 683 HB1 TRP 683 -10.367 -14.924 -18.554 253 HD1 TRP 683 HD1 TRP 683 -9.916 -15.210 -15.278 254 HE1 TRP 683 HE1 TRP 683 -7.614 -15.944 -14.453 255 HE3 TRP 683 HE3 TRP 683 -7.108 -14.134 -19.442 256 HZ2 TRP 683 HZ2 TRP 683 -4.985 -16.082 -15.377 257 HZ3 TRP 683 HZ3 TRP 683 -4.706 -14.608 -19.370 258 HH2 TRP 683 HH2 TRP 683 -3.658 -15.563 -17.383 259 H GLN 684 HN GLN 684 -10.744 -12.857 -21.148 260 HA GLN 684 HA GLN 684 -13.046 -11.206 -20.330 261 HB2 GLN 684 HB2 GLN 684 -11.013 -9.769 -21.148 262 HB3 GLN 684 HB1 GLN 684 -11.327 -10.443 -22.736 263 HG2 GLN 684 HG2 GLN 684 -12.621 -8.616 -23.025 264 HG3 GLN 684 HG1 GLN 684 -13.820 -9.482 -22.089 265 HE21 GLN 684 HE21 GLN 684 -12.177 -9.076 -19.568 266 HE22 GLN 684 HE22 GLN 684 -12.428 -7.421 -19.148 267 H HIS 685 HN HIS 685 -14.594 -11.005 -22.364 268 HA HIS 685 HA HIS 685 -14.611 -13.467 -23.946 269 HB2 HIS 685 HB2 HIS 685 -16.628 -11.231 -23.658 270 HB3 HIS 685 HB1 HIS 685 -16.790 -12.461 -24.898 271 HD2 HIS 685 HD2 HIS 685 -16.880 -15.198 -23.658 272 HE1 HIS 685 HE1 HIS 685 -18.894 -13.521 -20.344 273 HE2 HIS 685 HE2 HIS 685 -18.231 -15.679 -21.489 274 H ALA 686 HN ALA 686 -14.492 -13.512 -26.154 275 HA ALA 686 HA ALA 686 -12.996 -11.613 -27.599 276 HB1 ALA 686 HB1 ALA 686 -14.820 -13.810 -28.633 277 HB2 ALA 686 HB2 ALA 686 -13.131 -14.011 -28.175 278 HB3 ALA 686 HB3 ALA 686 -13.552 -12.999 -29.556 279 H LYS 687 HN LYS 687 -16.493 -12.325 -27.550 280 HA LYS 687 HA LYS 687 -17.333 -10.321 -29.382 281 HB2 LYS 687 HB2 LYS 687 -18.693 -12.143 -27.418 282 HB3 LYS 687 HB1 LYS 687 -19.610 -10.743 -27.935 283 HG2 LYS 687 HG2 LYS 687 -20.144 -12.740 -29.282 284 HG3 LYS 687 HG1 LYS 687 -19.495 -11.423 -30.260 285 HD2 LYS 687 HD2 LYS 687 -17.272 -12.573 -30.287 286 HD3 LYS 687 HD1 LYS 687 -17.972 -13.906 -29.359 287 HE2 LYS 687 HE2 LYS 687 -17.845 -14.402 -31.793 288 HE3 LYS 687 HE1 LYS 687 -19.507 -14.414 -31.202 289 HZ1 LYS 687 HZ1 LYS 687 -19.872 -12.254 -32.133 290 HZ2 LYS 687 HZ2 LYS 687 -19.226 -13.245 -33.339 291 HZ3 LYS 687 HZ3 LYS 687 -18.246 -12.100 -32.575 292 H CYS 688 HN CYS 688 -16.374 -10.075 -26.077 293 HA CYS 688 HA CYS 688 -17.743 -7.542 -25.569 294 HB2 CYS 688 HB2 CYS 688 -15.843 -9.182 -23.868 295 HB3 CYS 688 HB1 CYS 688 -16.542 -7.646 -23.350 296 H VAL 689 HN VAL 689 -14.884 -8.466 -27.122 297 HA VAL 689 HA VAL 689 -13.649 -5.794 -26.710 298 HB VAL 689 HB VAL 689 -11.444 -6.710 -26.999 299 HG11 VAL 689 HG11 VAL 689 -12.354 -6.891 -24.723 300 HG12 VAL 689 HG12 VAL 689 -11.237 -8.213 -25.049 301 HG13 VAL 689 HG13 VAL 689 -12.978 -8.501 -25.076 302 HG21 VAL 689 HG21 VAL 689 -11.885 -8.434 -28.704 303 HG22 VAL 689 HG22 VAL 689 -12.676 -9.449 -27.499 304 HG23 VAL 689 HG23 VAL 689 -10.947 -9.108 -27.369 305 H ASN 690 HN ASN 690 -15.526 -7.335 -28.779 306 HA ASN 690 HA ASN 690 -16.031 -7.353 -30.967 307 HB2 ASN 690 HB2 ASN 690 -13.939 -5.152 -31.303 308 HB3 ASN 690 HB1 ASN 690 -15.143 -5.602 -32.505 309 HD21 ASN 690 HD21 ASN 690 -14.708 -3.024 -31.285 310 HD22 ASN 690 HD22 ASN 690 -16.181 -2.581 -30.503 311 H TYR 691 HN TYR 691 -15.210 -9.494 -30.962 312 HA TYR 691 HA TYR 691 -13.098 -10.170 -32.776 313 HB2 TYR 691 HB2 TYR 691 -11.880 -9.365 -30.656 314 HB3 TYR 691 HB1 TYR 691 -12.596 -10.712 -29.802 315 HD1 TYR 691 HD1 TYR 691 -10.156 -9.780 -32.462 316 HD2 TYR 691 HD2 TYR 691 -11.566 -12.892 -29.902 317 HE1 TYR 691 HE1 TYR 691 -8.154 -11.107 -32.965 318 HE2 TYR 691 HE2 TYR 691 -9.567 -14.211 -30.409 319 HH TYR 691 HH TYR 691 -6.846 -12.926 -31.916 320 H ASP 692 HN ASP 692 -12.759 -12.731 -32.557 321 HA ASP 692 HA ASP 692 -15.172 -14.110 -31.565 322 HB2 ASP 692 HB2 ASP 692 -15.526 -15.218 -33.767 323 HB3 ASP 692 HB1 ASP 692 -15.759 -13.472 -33.856 324 H GLU 693 HN GLU 693 -14.956 -16.576 -31.942 325 HA GLU 693 HA GLU 693 -12.445 -17.370 -30.769 326 HB2 GLU 693 HB2 GLU 693 -13.415 -19.658 -30.636 327 HB3 GLU 693 HB1 GLU 693 -14.416 -18.426 -29.880 328 HG2 GLU 693 HG2 GLU 693 -15.931 -18.439 -31.811 329 HG3 GLU 693 HG1 GLU 693 -14.902 -19.607 -32.626 330 H LYS 694 HN LYS 694 -13.802 -17.534 -33.996 331 HA LYS 694 HA LYS 694 -12.290 -19.686 -35.035 332 HB2 LYS 694 HB2 LYS 694 -13.677 -17.341 -36.374 333 HB3 LYS 694 HB1 LYS 694 -12.721 -18.468 -37.322 334 HG2 LYS 694 HG2 LYS 694 -15.057 -19.090 -37.461 335 HG3 LYS 694 HG1 LYS 694 -14.166 -20.338 -36.587 336 HD2 LYS 694 HD2 LYS 694 -15.014 -19.377 -34.440 337 HD3 LYS 694 HD1 LYS 694 -15.964 -18.204 -35.360 338 HE2 LYS 694 HE2 LYS 694 -17.243 -20.050 -36.393 339 HE3 LYS 694 HE1 LYS 694 -16.268 -21.233 -35.515 340 HZ1 LYS 694 HZ1 LYS 694 -18.069 -19.207 -34.291 341 HZ2 LYS 694 HZ2 LYS 694 -17.116 -20.316 -33.439 342 HZ3 LYS 694 HZ3 LYS 694 -18.375 -20.865 -34.421 343 H ASN 695 HN ASN 695 -11.575 -16.186 -34.906 344 HA ASN 695 HA ASN 695 -8.853 -16.697 -35.881 345 HB2 ASN 695 HB2 ASN 695 -8.581 -14.408 -36.302 346 HB3 ASN 695 HB1 ASN 695 -10.233 -14.741 -36.771 347 HD21 ASN 695 HD21 ASN 695 -11.127 -14.631 -33.893 348 HD22 ASN 695 HD22 ASN 695 -11.158 -12.960 -33.526 349 H LEU 696 HN LEU 696 -10.379 -16.684 -32.886 350 HA LEU 696 HA LEU 696 -8.303 -15.801 -31.153 351 HB2 LEU 696 HB2 LEU 696 -10.523 -16.285 -30.273 352 HB3 LEU 696 HB1 LEU 696 -10.430 -17.941 -30.816 353 HG LEU 696 HG LEU 696 -8.529 -18.265 -29.104 354 HD11 LEU 696 HD11 LEU 696 -9.604 -15.652 -28.008 355 HD12 LEU 696 HD12 LEU 696 -7.999 -15.907 -28.703 356 HD13 LEU 696 HD13 LEU 696 -8.454 -16.730 -27.215 357 HD21 LEU 696 HD21 LEU 696 -10.103 -18.649 -27.254 358 HD22 LEU 696 HD22 LEU 696 -10.780 -19.195 -28.787 359 HD23 LEU 696 HD23 LEU 696 -11.327 -17.674 -28.074 360 H LYS 697 HN LYS 697 -8.847 -18.826 -32.911 361 HA LYS 697 HA LYS 697 -6.530 -20.183 -31.833 362 HB2 LYS 697 HB2 LYS 697 -8.433 -20.821 -34.106 363 HB3 LYS 697 HB1 LYS 697 -6.950 -21.744 -33.926 364 HG2 LYS 697 HG2 LYS 697 -8.532 -23.060 -32.824 365 HG3 LYS 697 HG1 LYS 697 -7.736 -22.206 -31.503 366 HD2 LYS 697 HD2 LYS 697 -10.054 -22.115 -30.986 367 HD3 LYS 697 HD1 LYS 697 -9.680 -20.515 -31.640 368 HE2 LYS 697 HE2 LYS 697 -11.754 -21.213 -32.634 369 HE3 LYS 697 HE1 LYS 697 -10.518 -21.338 -33.885 370 HZ1 LYS 697 HZ1 LYS 697 -10.399 -23.711 -33.467 371 HZ2 LYS 697 HZ2 LYS 697 -11.961 -23.240 -33.907 372 HZ3 LYS 697 HZ3 LYS 697 -11.607 -23.590 -32.291 373 H ILE 698 HN ILE 698 -6.589 -17.532 -33.874 374 HA ILE 698 HA ILE 698 -4.174 -18.379 -35.415 375 HB ILE 698 HB ILE 698 -6.152 -16.270 -36.424 376 HG12 ILE 698 HG12 ILE 698 -6.219 -19.214 -37.259 377 HG13 ILE 698 HG11 ILE 698 -7.359 -18.466 -36.139 378 HG21 ILE 698 HG21 ILE 698 -5.110 -16.719 -38.623 379 HG22 ILE 698 HG22 ILE 698 -4.050 -17.921 -37.887 380 HG23 ILE 698 HG23 ILE 698 -3.908 -16.222 -37.430 381 HD11 ILE 698 HD11 ILE 698 -8.089 -16.930 -37.920 382 HD12 ILE 698 HD12 ILE 698 -8.328 -18.628 -38.338 383 HD13 ILE 698 HD13 ILE 698 -6.983 -17.733 -39.042 384 H LYS 699 HN LYS 699 -5.933 -15.406 -34.777 385 HA LYS 699 HA LYS 699 -3.589 -13.740 -34.912 386 HB2 LYS 699 HB2 LYS 699 -6.587 -13.308 -34.754 387 HB3 LYS 699 HB1 LYS 699 -5.481 -11.954 -34.786 388 HG2 LYS 699 HG2 LYS 699 -4.678 -12.536 -36.975 389 HG3 LYS 699 HG1 LYS 699 -5.472 -14.104 -36.910 390 HD2 LYS 699 HD2 LYS 699 -6.703 -12.575 -38.379 391 HD3 LYS 699 HD1 LYS 699 -7.670 -13.021 -36.968 392 HE2 LYS 699 HE2 LYS 699 -7.106 -10.869 -35.904 393 HE3 LYS 699 HE1 LYS 699 -6.117 -10.447 -37.303 394 HZ1 LYS 699 HZ1 LYS 699 -8.077 -10.436 -38.674 395 HZ2 LYS 699 HZ2 LYS 699 -8.310 -9.418 -37.343 396 HZ3 LYS 699 HZ3 LYS 699 -9.037 -10.941 -37.374 397 HA PRO 700 HA PRO 700 -3.110 -12.494 -30.505 398 HB2 PRO 700 HB2 PRO 700 -2.911 -9.724 -30.811 399 HB3 PRO 700 HB1 PRO 700 -1.576 -10.855 -31.075 400 HG2 PRO 700 HG2 PRO 700 -3.499 -9.692 -33.105 401 HG3 PRO 700 HG1 PRO 700 -1.720 -9.775 -33.173 402 HD2 PRO 700 HD2 PRO 700 -3.159 -11.552 -34.507 403 HD3 PRO 700 HD1 PRO 700 -1.743 -12.118 -33.587 404 H PHE 701 HN PHE 701 -4.273 -11.477 -28.794 405 HA PHE 701 HA PHE 701 -6.907 -10.346 -29.328 406 HB2 PHE 701 HB2 PHE 701 -7.895 -12.145 -27.713 407 HB3 PHE 701 HB1 PHE 701 -7.632 -12.568 -29.391 408 HD1 PHE 701 HD2 PHE 701 -6.470 -13.131 -25.920 409 HD2 PHE 701 HD1 PHE 701 -5.970 -14.218 -30.029 410 HE1 PHE 701 HE2 PHE 701 -5.158 -15.117 -25.257 411 HE2 PHE 701 HE1 PHE 701 -4.662 -16.183 -29.352 412 HZ PHE 701 HZ PHE 701 -4.249 -16.633 -26.969 413 H TYR 702 HN TYR 702 -7.573 -8.974 -27.764 414 HA TYR 702 HA TYR 702 -6.119 -8.761 -25.209 415 HB2 TYR 702 HB2 TYR 702 -6.352 -6.426 -27.174 416 HB3 TYR 702 HB1 TYR 702 -5.608 -6.367 -25.579 417 HD1 TYR 702 HD2 TYR 702 -3.562 -8.005 -25.209 418 HD2 TYR 702 HD1 TYR 702 -4.973 -6.806 -29.060 419 HE1 TYR 702 HE2 TYR 702 -1.397 -8.612 -26.194 420 HE2 TYR 702 HE1 TYR 702 -2.805 -7.419 -30.041 421 HH TYR 702 HH TYR 702 -0.446 -9.217 -28.348 422 H CYS 703 HN CYS 703 -7.174 -7.370 -23.673 423 HA CYS 703 HA CYS 703 -10.053 -7.097 -23.880 424 HB2 CYS 703 HB2 CYS 703 -10.005 -6.471 -21.569 425 HB3 CYS 703 HB1 CYS 703 -8.751 -7.694 -21.739 426 HA PRO 704 HA PRO 704 -10.617 -3.369 -25.864 427 HB2 PRO 704 HB2 PRO 704 -12.221 -2.072 -23.674 428 HB3 PRO 704 HB1 PRO 704 -12.678 -2.442 -25.344 429 HG2 PRO 704 HG2 PRO 704 -13.613 -3.925 -23.351 430 HG3 PRO 704 HG1 PRO 704 -13.091 -4.706 -24.863 431 HD2 PRO 704 HD2 PRO 704 -11.595 -4.455 -22.242 432 HD3 PRO 704 HD1 PRO 704 -11.808 -5.885 -23.278 433 H HIS 705 HN HIS 705 -9.699 -2.500 -22.512 434 HA HIS 705 HA HIS 705 -8.951 0.177 -23.107 435 HB2 HIS 705 HB2 HIS 705 -9.327 -0.528 -20.763 436 HB3 HIS 705 HB1 HIS 705 -7.900 -1.559 -20.829 437 HD1 HIS 705 HD1 HIS 705 -5.649 -0.443 -20.395 438 HD2 HIS 705 HD2 HIS 705 -8.731 2.310 -20.831 439 HE1 HIS 705 HE1 HIS 705 -4.643 1.783 -19.820 440 HE2 HIS 705 HE2 HIS 705 -6.463 3.449 -20.312 441 H CYS 706 HN CYS 706 -7.033 -2.840 -22.987 442 HA CYS 706 HA CYS 706 -4.514 -1.770 -23.666 443 HB2 CYS 706 HB2 CYS 706 -5.672 -4.516 -24.231 444 HB3 CYS 706 HB1 CYS 706 -3.991 -4.094 -24.557 445 H LEU 707 HN LEU 707 -7.256 -2.676 -25.711 446 HA LEU 707 HA LEU 707 -5.979 -2.525 -28.236 447 HB2 LEU 707 HB2 LEU 707 -8.249 -3.554 -27.675 448 HB3 LEU 707 HB1 LEU 707 -8.907 -1.938 -27.622 449 HG LEU 707 HG LEU 707 -9.402 -3.262 -29.721 450 HD11 LEU 707 HD11 LEU 707 -9.108 -1.450 -31.307 451 HD12 LEU 707 HD12 LEU 707 -7.959 -0.656 -30.228 452 HD13 LEU 707 HD13 LEU 707 -9.646 -0.841 -29.744 453 HD21 LEU 707 HD21 LEU 707 -7.690 -3.513 -31.442 454 HD22 LEU 707 HD22 LEU 707 -7.249 -4.392 -29.980 455 HD23 LEU 707 HD23 LEU 707 -6.466 -2.853 -30.352 456 H VAL 708 HN VAL 708 -7.817 -0.124 -26.350 457 HA VAL 708 HA VAL 708 -7.333 2.057 -28.199 458 HB VAL 708 HB VAL 708 -8.594 2.158 -25.408 459 HG11 VAL 708 HG11 VAL 708 -8.010 4.401 -26.251 460 HG12 VAL 708 HG12 VAL 708 -9.759 4.188 -26.209 461 HG13 VAL 708 HG13 VAL 708 -8.898 4.087 -27.746 462 HG21 VAL 708 HG21 VAL 708 -9.779 0.506 -26.822 463 HG22 VAL 708 HG22 VAL 708 -10.009 1.732 -28.072 464 HG23 VAL 708 HG23 VAL 708 -10.788 1.918 -26.499 465 H ALA 709 HN ALA 709 -5.420 0.638 -25.810 466 HA ALA 709 HA ALA 709 -4.028 3.108 -25.002 467 HB1 ALA 709 HB1 ALA 709 -4.569 1.494 -23.226 468 HB2 ALA 709 HB2 ALA 709 -2.826 1.712 -23.384 469 HB3 ALA 709 HB3 ALA 709 -3.598 0.259 -24.031 470 H MET 710 HN MET 710 -3.571 0.235 -27.003 471 HA MET 710 HA MET 710 -0.761 0.655 -27.553 472 HB2 MET 710 HB2 MET 710 -2.864 -1.049 -28.959 473 HB3 MET 710 HB1 MET 710 -1.174 -1.008 -29.446 474 HG2 MET 710 HG2 MET 710 -0.501 -1.921 -27.285 475 HG3 MET 710 HG1 MET 710 -2.175 -1.899 -26.730 476 HE1 MET 710 HE1 MET 710 -3.672 -2.878 -29.453 477 HE2 MET 710 HE2 MET 710 -4.107 -3.479 -27.854 478 HE3 MET 710 HE3 MET 710 -3.773 -4.613 -29.165 479 H GLU 711 HN GLU 711 -3.652 2.081 -28.627 480 HA GLU 711 HA GLU 711 -2.300 3.507 -30.852 481 HB2 GLU 711 HB2 GLU 711 -4.492 3.603 -31.990 482 HB3 GLU 711 HB1 GLU 711 -4.018 1.932 -31.703 483 HG2 GLU 711 HG2 GLU 711 -5.523 1.909 -29.688 484 HG3 GLU 711 HG1 GLU 711 -6.073 3.529 -30.128 485 HA PRO 712 HA PRO 712 -3.817 7.178 -28.571 486 HB2 PRO 712 HB2 PRO 712 -4.018 9.065 -30.492 487 HB3 PRO 712 HB1 PRO 712 -2.443 8.416 -30.009 488 HG2 PRO 712 HG2 PRO 712 -4.153 7.660 -32.382 489 HG3 PRO 712 HG1 PRO 712 -2.412 8.015 -32.329 490 HD2 PRO 712 HD2 PRO 712 -3.400 5.457 -32.304 491 HD3 PRO 712 HD1 PRO 712 -1.872 5.903 -31.511 492 H VAL 713 HN VAL 713 -5.715 8.527 -28.291 493 HA VAL 713 HA VAL 713 -8.215 7.401 -29.184 494 HB VAL 713 HB VAL 713 -9.288 9.231 -27.868 495 HG11 VAL 713 HG11 VAL 713 -8.643 7.142 -26.719 496 HG12 VAL 713 HG12 VAL 713 -8.492 8.523 -25.633 497 HG13 VAL 713 HG13 VAL 713 -7.048 7.812 -26.361 498 HG21 VAL 713 HG21 VAL 713 -7.664 11.045 -28.284 499 HG22 VAL 713 HG22 VAL 713 -6.445 10.196 -27.329 500 HG23 VAL 713 HG23 VAL 713 -7.904 10.816 -26.549 501 H SER 714 HN SER 714 -9.943 8.795 -30.153 502 HA SER 714 HA SER 714 -8.969 9.934 -32.632 503 HB2 SER 714 HB2 SER 714 -11.821 9.558 -31.622 504 HB3 SER 714 HB1 SER 714 -11.358 9.996 -33.269 505 HG SER 714 HG SER 714 -10.940 7.557 -31.898 506 H THR 715 HN THR 715 -7.883 11.771 -31.812 507 HA THR 715 HA THR 715 -9.172 13.897 -30.380 508 HB THR 715 HB THR 715 -6.519 13.847 -31.901 509 HG1 THR 715 HG1 THR 715 -5.647 13.123 -30.057 510 HG21 THR 715 HG21 THR 715 -7.479 15.823 -29.790 511 HG22 THR 715 HG22 THR 715 -7.270 16.182 -31.504 512 HG23 THR 715 HG23 THR 715 -5.867 15.785 -30.512 513 H ARG 716 HN ARG 716 -10.230 15.633 -31.172 514 HA ARG 716 HA ARG 716 -11.007 15.719 -33.938 515 HB2 ARG 716 HB2 ARG 716 -11.703 17.549 -31.611 516 HB3 ARG 716 HB1 ARG 716 -12.405 17.682 -33.224 517 HG2 ARG 716 HG2 ARG 716 -12.653 15.295 -31.375 518 HG3 ARG 716 HG1 ARG 716 -13.911 16.496 -31.680 519 HD2 ARG 716 HD2 ARG 716 -12.739 14.512 -33.668 520 HD3 ARG 716 HD1 ARG 716 -14.361 14.472 -32.971 521 HE ARG 716 HE ARG 716 -14.073 16.919 -34.296 522 HH11 ARG 716 HH11 ARG 716 -14.233 13.511 -35.156 523 HH12 ARG 716 HH12 ARG 716 -14.827 13.830 -36.752 524 HH21 ARG 716 HH21 ARG 716 -14.827 17.311 -36.375 525 HH22 ARG 716 HH22 ARG 716 -15.149 15.987 -37.450 Start of MODEL 13 1 H PHE 652 HT1 PHE 652 -7.148 6.346 -7.662 2 HA PHE 652 HA PHE 652 -6.509 7.282 -5.573 3 HB2 PHE 652 HB2 PHE 652 -9.136 6.118 -4.534 4 HB3 PHE 652 HB1 PHE 652 -7.905 6.898 -3.550 5 HD1 PHE 652 HD2 PHE 652 -10.617 7.458 -5.998 6 HD2 PHE 652 HD1 PHE 652 -7.660 9.350 -3.556 7 HE1 PHE 652 HE2 PHE 652 -11.704 9.636 -6.359 8 HE2 PHE 652 HE1 PHE 652 -8.757 11.524 -3.921 9 HZ PHE 652 HZ PHE 652 -10.781 11.670 -5.322 10 H ASN 653 HN ASN 653 -8.461 4.275 -5.325 11 HA ASN 653 HA ASN 653 -5.996 2.679 -4.887 12 HB2 ASN 653 HB2 ASN 653 -8.641 2.629 -3.390 13 HB3 ASN 653 HB1 ASN 653 -7.685 1.162 -3.496 14 HD21 ASN 653 HD21 ASN 653 -6.162 4.344 -3.152 15 HD22 ASN 653 HD22 ASN 653 -5.615 4.092 -1.543 16 H THR 654 HN THR 654 -5.724 1.537 -6.748 17 HA THR 654 HA THR 654 -7.739 -0.344 -7.641 18 HB THR 654 HB THR 654 -8.486 1.746 -8.787 19 HG1 THR 654 HG1 THR 654 -8.882 -0.226 -9.840 20 HG21 THR 654 HG21 THR 654 -5.817 1.637 -10.242 21 HG22 THR 654 HG22 THR 654 -6.304 2.864 -9.071 22 HG23 THR 654 HG23 THR 654 -7.157 2.724 -10.607 23 H SER 655 HN SER 655 -4.818 -0.124 -6.721 24 HA SER 655 HA SER 655 -3.133 -1.075 -8.821 25 HB2 SER 655 HB2 SER 655 -2.861 -1.345 -5.801 26 HB3 SER 655 HB1 SER 655 -1.598 -1.775 -6.951 27 HG SER 655 HG SER 655 -1.442 0.345 -7.558 28 H ASP 656 HN ASP 656 -5.610 -2.638 -7.026 29 HA ASP 656 HA ASP 656 -4.662 -5.343 -7.288 30 HB2 ASP 656 HB2 ASP 656 -6.288 -4.643 -5.526 31 HB3 ASP 656 HB1 ASP 656 -7.492 -4.344 -6.774 32 H TYR 657 HN TYR 657 -4.753 -6.553 -9.033 33 HA TYR 657 HA TYR 657 -5.817 -5.503 -11.537 34 HB2 TYR 657 HB2 TYR 657 -4.087 -7.931 -10.903 35 HB3 TYR 657 HB1 TYR 657 -4.682 -7.577 -12.522 36 HD1 TYR 657 HD1 TYR 657 -2.539 -6.214 -9.775 37 HD2 TYR 657 HD2 TYR 657 -3.545 -5.991 -13.922 38 HE1 TYR 657 HE1 TYR 657 -0.618 -4.724 -10.158 39 HE2 TYR 657 HE2 TYR 657 -1.618 -4.510 -14.308 40 HH TYR 657 HH TYR 657 -0.226 -2.902 -12.954 41 H ARG 658 HN ARG 658 -7.993 -5.672 -11.400 42 HA ARG 658 HA ARG 658 -9.359 -8.121 -10.705 43 HB2 ARG 658 HB2 ARG 658 -10.553 -5.645 -12.012 44 HB3 ARG 658 HB1 ARG 658 -11.422 -6.917 -11.153 45 HG2 ARG 658 HG2 ARG 658 -9.441 -5.000 -9.922 46 HG3 ARG 658 HG1 ARG 658 -11.196 -4.864 -9.806 47 HD2 ARG 658 HD2 ARG 658 -9.497 -7.122 -8.704 48 HD3 ARG 658 HD1 ARG 658 -10.194 -5.804 -7.763 49 HE ARG 658 HE ARG 658 -12.149 -7.334 -9.225 50 HH11 ARG 658 HH11 ARG 658 -10.309 -7.223 -6.223 51 HH12 ARG 658 HH12 ARG 658 -11.436 -8.233 -5.369 52 HH21 ARG 658 HH21 ARG 658 -13.600 -8.637 -8.091 53 HH22 ARG 658 HH22 ARG 658 -13.309 -9.024 -6.424 54 H PHE 659 HN PHE 659 -8.255 -9.511 -12.278 55 HA PHE 659 HA PHE 659 -8.676 -9.083 -15.093 56 HB2 PHE 659 HB2 PHE 659 -7.783 -11.565 -15.212 57 HB3 PHE 659 HB1 PHE 659 -6.705 -10.229 -14.875 58 HD1 PHE 659 HD1 PHE 659 -8.759 -12.804 -13.025 59 HD2 PHE 659 HD2 PHE 659 -5.188 -10.455 -13.122 60 HE1 PHE 659 HE1 PHE 659 -7.919 -13.988 -11.043 61 HE2 PHE 659 HE2 PHE 659 -4.358 -11.652 -11.138 62 HZ PHE 659 HZ PHE 659 -5.718 -13.414 -10.094 63 H GLU 660 HN GLU 660 -10.851 -8.750 -15.055 64 HA GLU 660 HA GLU 660 -12.579 -11.126 -15.190 65 HB2 GLU 660 HB2 GLU 660 -13.248 -8.549 -13.673 66 HB3 GLU 660 HB1 GLU 660 -14.378 -9.868 -13.978 67 HG2 GLU 660 HG2 GLU 660 -13.051 -11.373 -12.573 68 HG3 GLU 660 HG1 GLU 660 -11.849 -10.110 -12.310 69 H CYS 661 HN CYS 661 -14.397 -10.793 -16.577 70 HA CYS 661 HA CYS 661 -13.969 -8.851 -18.712 71 HB2 CYS 661 HB2 CYS 661 -14.607 -11.218 -19.179 72 HB3 CYS 661 HB1 CYS 661 -16.168 -10.928 -18.419 73 H ILE 662 HN ILE 662 -15.546 -7.287 -19.357 74 HA ILE 662 HA ILE 662 -16.586 -5.735 -17.267 75 HB ILE 662 HB ILE 662 -17.644 -4.320 -19.066 76 HG12 ILE 662 HG12 ILE 662 -16.523 -6.468 -20.953 77 HG13 ILE 662 HG11 ILE 662 -18.228 -6.129 -20.680 78 HG21 ILE 662 HG21 ILE 662 -14.732 -5.078 -19.548 79 HG22 ILE 662 HG22 ILE 662 -15.323 -3.932 -18.342 80 HG23 ILE 662 HG23 ILE 662 -15.510 -3.575 -20.057 81 HD11 ILE 662 HD11 ILE 662 -17.458 -5.226 -22.791 82 HD12 ILE 662 HD12 ILE 662 -16.244 -4.255 -21.964 83 HD13 ILE 662 HD13 ILE 662 -17.960 -3.928 -21.709 84 H CYS 663 HN CYS 663 -18.199 -8.173 -19.269 85 HA CYS 663 HA CYS 663 -20.892 -7.444 -18.450 86 HB2 CYS 663 HB2 CYS 663 -21.625 -9.528 -19.500 87 HB3 CYS 663 HB1 CYS 663 -20.446 -8.733 -20.546 88 H GLY 664 HN GLY 664 -18.370 -9.411 -17.059 89 HA2 GLY 664 HA2 GLY 664 -18.164 -10.493 -15.045 90 HA3 GLY 664 HA1 GLY 664 -19.706 -9.804 -14.566 91 H GLU 665 HN GLU 665 -18.302 -12.390 -16.596 92 HA GLU 665 HA GLU 665 -20.507 -14.229 -15.866 93 HB2 GLU 665 HB2 GLU 665 -19.459 -13.744 -18.691 94 HB3 GLU 665 HB1 GLU 665 -20.478 -15.108 -18.242 95 HG2 GLU 665 HG2 GLU 665 -22.275 -13.497 -17.613 96 HG3 GLU 665 HG1 GLU 665 -21.257 -12.181 -18.204 97 H LEU 666 HN LEU 666 -19.887 -16.462 -17.013 98 HA LEU 666 HA LEU 666 -17.545 -17.607 -15.976 99 HB2 LEU 666 HB2 LEU 666 -19.312 -18.503 -18.289 100 HB3 LEU 666 HB1 LEU 666 -18.131 -19.530 -17.482 101 HG LEU 666 HG LEU 666 -20.559 -18.308 -16.091 102 HD11 LEU 666 HD11 LEU 666 -20.232 -21.137 -17.128 103 HD12 LEU 666 HD12 LEU 666 -21.293 -19.899 -17.804 104 HD13 LEU 666 HD13 LEU 666 -21.592 -20.521 -16.183 105 HD21 LEU 666 HD21 LEU 666 -20.061 -19.905 -14.282 106 HD22 LEU 666 HD22 LEU 666 -18.717 -18.796 -14.539 107 HD23 LEU 666 HD23 LEU 666 -18.620 -20.452 -15.144 108 H ASP 667 HN ASP 667 -15.807 -18.707 -17.327 109 HA ASP 667 HA ASP 667 -14.868 -16.969 -19.557 110 HB2 ASP 667 HB2 ASP 667 -12.599 -17.284 -18.811 111 HB3 ASP 667 HB1 ASP 667 -13.537 -16.847 -17.392 112 H GLN 668 HN GLN 668 -16.519 -19.528 -19.567 113 HA GLN 668 HA GLN 668 -14.712 -21.402 -20.932 114 HB2 GLN 668 HB2 GLN 668 -17.570 -21.707 -19.940 115 HB3 GLN 668 HB1 GLN 668 -16.781 -22.912 -20.951 116 HG2 GLN 668 HG2 GLN 668 -16.645 -23.628 -18.651 117 HG3 GLN 668 HG1 GLN 668 -15.029 -23.216 -19.216 118 HE21 GLN 668 HE21 GLN 668 -14.225 -22.878 -17.154 119 HE22 GLN 668 HE22 GLN 668 -14.669 -21.552 -16.154 120 H ILE 669 HN ILE 669 -14.932 -22.051 -23.026 121 HA ILE 669 HA ILE 669 -15.860 -20.135 -24.946 122 HB ILE 669 HB ILE 669 -14.750 -22.963 -25.298 123 HG12 ILE 669 HG12 ILE 669 -13.143 -21.301 -24.344 124 HG13 ILE 669 HG11 ILE 669 -12.636 -21.863 -25.930 125 HG21 ILE 669 HG21 ILE 669 -14.367 -22.426 -27.687 126 HG22 ILE 669 HG22 ILE 669 -15.250 -20.909 -27.487 127 HG23 ILE 669 HG23 ILE 669 -16.082 -22.452 -27.282 128 HD11 ILE 669 HD11 ILE 669 -12.250 -19.491 -25.663 129 HD12 ILE 669 HD12 ILE 669 -13.959 -19.214 -25.330 130 HD13 ILE 669 HD13 ILE 669 -13.445 -19.774 -26.927 131 H ASP 670 HN ASP 670 -17.134 -23.110 -23.632 132 HA ASP 670 HA ASP 670 -19.168 -23.837 -25.368 133 HB2 ASP 670 HB2 ASP 670 -18.517 -25.163 -23.385 134 HB3 ASP 670 HB1 ASP 670 -19.165 -23.928 -22.317 135 H ARG 671 HN ARG 671 -19.143 -21.318 -22.914 136 HA ARG 671 HA ARG 671 -21.927 -20.574 -23.293 137 HB2 ARG 671 HB2 ARG 671 -19.703 -19.237 -21.676 138 HB3 ARG 671 HB1 ARG 671 -21.415 -18.826 -21.599 139 HG2 ARG 671 HG2 ARG 671 -20.222 -21.512 -20.804 140 HG3 ARG 671 HG1 ARG 671 -20.687 -20.226 -19.683 141 HD2 ARG 671 HD2 ARG 671 -22.584 -21.696 -21.561 142 HD3 ARG 671 HD1 ARG 671 -22.413 -22.002 -19.830 143 HE ARG 671 HE ARG 671 -23.006 -19.344 -19.958 144 HH11 ARG 671 HH11 ARG 671 -24.634 -22.208 -21.215 145 HH12 ARG 671 HH12 ARG 671 -26.212 -21.504 -21.085 146 HH21 ARG 671 HH21 ARG 671 -25.089 -18.453 -19.784 147 HH22 ARG 671 HH22 ARG 671 -26.467 -19.379 -20.290 148 H LYS 672 HN LYS 672 -18.876 -18.719 -23.515 149 HA LYS 672 HA LYS 672 -19.699 -17.503 -26.073 150 HB2 LYS 672 HB2 LYS 672 -18.660 -15.937 -23.664 151 HB3 LYS 672 HB1 LYS 672 -18.967 -15.254 -25.255 152 HG2 LYS 672 HG2 LYS 672 -21.083 -16.396 -23.395 153 HG3 LYS 672 HG1 LYS 672 -20.700 -14.682 -23.559 154 HD2 LYS 672 HD2 LYS 672 -21.763 -16.461 -25.795 155 HD3 LYS 672 HD1 LYS 672 -22.745 -15.368 -24.818 156 HE2 LYS 672 HE2 LYS 672 -21.379 -13.451 -25.674 157 HE3 LYS 672 HE1 LYS 672 -20.505 -14.580 -26.711 158 HZ1 LYS 672 HZ1 LYS 672 -22.580 -15.113 -27.820 159 HZ2 LYS 672 HZ2 LYS 672 -22.271 -13.453 -27.905 160 HZ3 LYS 672 HZ3 LYS 672 -23.419 -14.040 -26.817 161 HA PRO 673 HA PRO 673 -15.190 -18.130 -26.985 162 HB2 PRO 673 HB2 PRO 673 -15.556 -15.634 -28.638 163 HB3 PRO 673 HB1 PRO 673 -14.843 -17.185 -29.096 164 HG2 PRO 673 HG2 PRO 673 -17.292 -16.477 -29.947 165 HG3 PRO 673 HG1 PRO 673 -16.918 -18.160 -29.538 166 HD2 PRO 673 HD2 PRO 673 -18.455 -16.109 -27.962 167 HD3 PRO 673 HD1 PRO 673 -18.742 -17.841 -28.104 168 H ARG 674 HN ARG 674 -13.310 -17.187 -26.025 169 HA ARG 674 HA ARG 674 -13.575 -14.543 -24.788 170 HB2 ARG 674 HB2 ARG 674 -12.718 -15.475 -22.572 171 HB3 ARG 674 HB1 ARG 674 -14.386 -15.795 -22.990 172 HG2 ARG 674 HG2 ARG 674 -13.589 -17.784 -22.013 173 HG3 ARG 674 HG1 ARG 674 -13.653 -18.118 -23.740 174 HD2 ARG 674 HD2 ARG 674 -11.291 -18.027 -23.947 175 HD3 ARG 674 HD1 ARG 674 -11.103 -17.220 -22.391 176 HE ARG 674 HE ARG 674 -12.250 -19.778 -22.003 177 HH11 ARG 674 HH11 ARG 674 -9.156 -18.434 -23.006 178 HH12 ARG 674 HH12 ARG 674 -8.228 -19.636 -22.168 179 HH21 ARG 674 HH21 ARG 674 -11.003 -21.336 -20.904 180 HH22 ARG 674 HH22 ARG 674 -9.272 -21.274 -20.978 181 H VAL 675 HN VAL 675 -11.703 -13.462 -24.190 182 HA VAL 675 HA VAL 675 -9.222 -14.439 -25.477 183 HB VAL 675 HB VAL 675 -8.686 -12.045 -26.023 184 HG11 VAL 675 HG11 VAL 675 -11.257 -13.093 -27.240 185 HG12 VAL 675 HG12 VAL 675 -9.617 -13.499 -27.745 186 HG13 VAL 675 HG13 VAL 675 -10.221 -11.855 -27.953 187 HG21 VAL 675 HG21 VAL 675 -10.124 -10.873 -24.384 188 HG22 VAL 675 HG22 VAL 675 -11.565 -11.458 -25.215 189 HG23 VAL 675 HG23 VAL 675 -10.476 -10.330 -26.028 190 H GLN 676 HN GLN 676 -7.608 -14.693 -24.156 191 HA GLN 676 HA GLN 676 -7.489 -13.359 -21.529 192 HB2 GLN 676 HB2 GLN 676 -6.273 -15.916 -22.647 193 HB3 GLN 676 HB1 GLN 676 -5.520 -15.130 -21.263 194 HG2 GLN 676 HG2 GLN 676 -7.067 -16.940 -20.594 195 HG3 GLN 676 HG1 GLN 676 -7.528 -15.372 -19.938 196 HE21 GLN 676 HE21 GLN 676 -9.685 -15.737 -19.654 197 HE22 GLN 676 HE22 GLN 676 -10.789 -16.079 -20.935 198 H CYS 677 HN CYS 677 -6.677 -11.389 -21.924 199 HA CYS 677 HA CYS 677 -4.821 -10.678 -23.921 200 HB2 CYS 677 HB2 CYS 677 -6.369 -9.064 -22.932 201 HB3 CYS 677 HB1 CYS 677 -5.575 -9.217 -21.372 202 H LEU 678 HN LEU 678 -3.056 -11.931 -23.818 203 HA LEU 678 HA LEU 678 -1.416 -12.689 -21.745 204 HB2 LEU 678 HB2 LEU 678 0.377 -12.951 -23.510 205 HB3 LEU 678 HB1 LEU 678 -1.134 -13.771 -23.828 206 HG LEU 678 HG LEU 678 -0.820 -11.047 -25.080 207 HD11 LEU 678 HD11 LEU 678 0.681 -13.449 -26.180 208 HD12 LEU 678 HD12 LEU 678 1.409 -11.993 -25.498 209 HD13 LEU 678 HD13 LEU 678 0.476 -11.891 -26.989 210 HD21 LEU 678 HD21 LEU 678 -1.987 -13.669 -26.091 211 HD22 LEU 678 HD22 LEU 678 -1.968 -12.157 -26.999 212 HD23 LEU 678 HD23 LEU 678 -2.887 -12.267 -25.504 213 H LYS 679 HN LYS 679 -1.413 -9.593 -23.432 214 HA LYS 679 HA LYS 679 1.145 -8.681 -22.783 215 HB2 LYS 679 HB2 LYS 679 -0.220 -7.680 -24.551 216 HB3 LYS 679 HB1 LYS 679 -1.389 -7.102 -23.370 217 HG2 LYS 679 HG2 LYS 679 0.153 -5.480 -22.485 218 HG3 LYS 679 HG1 LYS 679 1.515 -6.195 -23.351 219 HD2 LYS 679 HD2 LYS 679 -0.860 -4.826 -24.694 220 HD3 LYS 679 HD1 LYS 679 0.695 -4.050 -24.375 221 HE2 LYS 679 HE2 LYS 679 0.243 -6.473 -26.152 222 HE3 LYS 679 HE1 LYS 679 0.565 -4.835 -26.703 223 HZ1 LYS 679 HZ1 LYS 679 2.748 -4.963 -25.620 224 HZ2 LYS 679 HZ2 LYS 679 2.558 -6.172 -26.786 225 HZ3 LYS 679 HZ3 LYS 679 2.427 -6.553 -25.146 226 H CYS 680 HN CYS 680 -1.829 -8.620 -20.811 227 HA CYS 680 HA CYS 680 -0.328 -7.338 -18.602 228 HB2 CYS 680 HB2 CYS 680 -1.946 -5.621 -18.212 229 HB3 CYS 680 HB1 CYS 680 -1.646 -5.578 -19.948 230 H HIS 681 HN HIS 681 -1.804 -10.002 -19.395 231 HA HIS 681 HA HIS 681 -3.017 -11.679 -18.464 232 HB2 HIS 681 HB2 HIS 681 -2.016 -10.427 -15.868 233 HB3 HIS 681 HB1 HIS 681 -2.679 -12.052 -16.009 234 HD1 HIS 681 HD1 HIS 681 0.384 -10.821 -15.353 235 HD2 HIS 681 HD2 HIS 681 -0.930 -13.197 -18.499 236 HE1 HIS 681 HE1 HIS 681 2.418 -12.040 -16.166 237 HE2 HIS 681 HE2 HIS 681 1.638 -13.288 -18.208 238 H LEU 682 HN LEU 682 -4.781 -9.964 -19.326 239 HA LEU 682 HA LEU 682 -6.771 -9.489 -17.159 240 HB2 LEU 682 HB2 LEU 682 -5.730 -7.462 -18.451 241 HB3 LEU 682 HB1 LEU 682 -6.681 -7.991 -19.820 242 HG LEU 682 HG LEU 682 -7.705 -6.086 -18.573 243 HD11 LEU 682 HD11 LEU 682 -9.434 -8.566 -18.405 244 HD12 LEU 682 HD12 LEU 682 -9.201 -7.565 -19.838 245 HD13 LEU 682 HD13 LEU 682 -9.995 -6.890 -18.417 246 HD21 LEU 682 HD21 LEU 682 -8.677 -6.420 -16.349 247 HD22 LEU 682 HD22 LEU 682 -6.925 -6.608 -16.332 248 HD23 LEU 682 HD23 LEU 682 -7.965 -8.033 -16.280 249 H TRP 683 HN TRP 683 -8.453 -10.871 -17.290 250 HA TRP 683 HA TRP 683 -8.866 -12.467 -19.709 251 HB2 TRP 683 HB2 TRP 683 -10.478 -12.780 -17.151 252 HB3 TRP 683 HB1 TRP 683 -10.126 -13.987 -18.379 253 HD1 TRP 683 HD1 TRP 683 -9.627 -14.092 -15.120 254 HE1 TRP 683 HE1 TRP 683 -7.339 -14.815 -14.268 255 HE3 TRP 683 HE3 TRP 683 -6.822 -13.270 -19.344 256 HZ2 TRP 683 HZ2 TRP 683 -4.718 -15.059 -15.202 257 HZ3 TRP 683 HZ3 TRP 683 -4.426 -13.787 -19.270 258 HH2 TRP 683 HH2 TRP 683 -3.388 -14.666 -17.235 259 H GLN 684 HN GLN 684 -10.533 -12.187 -21.062 260 HA GLN 684 HA GLN 684 -12.941 -10.659 -20.341 261 HB2 GLN 684 HB2 GLN 684 -11.004 -9.203 -21.436 262 HB3 GLN 684 HB1 GLN 684 -11.470 -10.003 -22.920 263 HG2 GLN 684 HG2 GLN 684 -12.711 -8.025 -23.048 264 HG3 GLN 684 HG1 GLN 684 -13.896 -9.140 -22.336 265 HE21 GLN 684 HE21 GLN 684 -11.303 -7.820 -20.360 266 HE22 GLN 684 HE22 GLN 684 -12.308 -6.766 -19.442 267 H HIS 685 HN HIS 685 -14.554 -10.809 -22.282 268 HA HIS 685 HA HIS 685 -14.313 -13.362 -23.714 269 HB2 HIS 685 HB2 HIS 685 -16.611 -11.411 -23.451 270 HB3 HIS 685 HB1 HIS 685 -16.651 -12.730 -24.617 271 HD2 HIS 685 HD2 HIS 685 -16.082 -15.344 -23.089 272 HE1 HIS 685 HE1 HIS 685 -18.571 -13.844 -20.025 273 HE2 HIS 685 HE2 HIS 685 -17.327 -15.877 -20.875 274 H ALA 686 HN ALA 686 -14.367 -13.504 -25.923 275 HA ALA 686 HA ALA 686 -13.107 -11.515 -27.482 276 HB1 ALA 686 HB1 ALA 686 -13.513 -13.074 -29.350 277 HB2 ALA 686 HB2 ALA 686 -14.601 -14.024 -28.331 278 HB3 ALA 686 HB3 ALA 686 -12.884 -13.919 -27.934 279 H LYS 687 HN LYS 687 -16.465 -12.697 -27.285 280 HA LYS 687 HA LYS 687 -17.436 -11.073 -29.416 281 HB2 LYS 687 HB2 LYS 687 -19.038 -12.514 -27.271 282 HB3 LYS 687 HB1 LYS 687 -19.623 -11.995 -28.843 283 HG2 LYS 687 HG2 LYS 687 -17.532 -14.143 -28.346 284 HG3 LYS 687 HG1 LYS 687 -19.218 -14.420 -28.794 285 HD2 LYS 687 HD2 LYS 687 -17.291 -12.842 -30.536 286 HD3 LYS 687 HD1 LYS 687 -17.486 -14.585 -30.682 287 HE2 LYS 687 HE2 LYS 687 -19.970 -12.930 -30.803 288 HE3 LYS 687 HE1 LYS 687 -18.871 -12.845 -32.174 289 HZ1 LYS 687 HZ1 LYS 687 -19.932 -15.371 -31.084 290 HZ2 LYS 687 HZ2 LYS 687 -19.068 -15.140 -32.521 291 HZ3 LYS 687 HZ3 LYS 687 -20.630 -14.519 -32.362 292 H CYS 688 HN CYS 688 -17.043 -10.552 -26.000 293 HA CYS 688 HA CYS 688 -18.807 -8.302 -25.734 294 HB2 CYS 688 HB2 CYS 688 -16.498 -9.286 -24.029 295 HB3 CYS 688 HB1 CYS 688 -17.453 -7.864 -23.605 296 H VAL 689 HN VAL 689 -15.700 -8.738 -27.150 297 HA VAL 689 HA VAL 689 -15.346 -5.806 -27.462 298 HB VAL 689 HB VAL 689 -12.916 -6.118 -27.567 299 HG11 VAL 689 HG11 VAL 689 -13.876 -5.676 -25.339 300 HG12 VAL 689 HG12 VAL 689 -12.474 -6.730 -25.185 301 HG13 VAL 689 HG13 VAL 689 -14.099 -7.406 -25.059 302 HG21 VAL 689 HG21 VAL 689 -12.791 -8.399 -28.506 303 HG22 VAL 689 HG22 VAL 689 -13.388 -9.074 -26.991 304 HG23 VAL 689 HG23 VAL 689 -11.810 -8.282 -27.043 305 H ASN 690 HN ASN 690 -16.726 -8.065 -29.035 306 HA ASN 690 HA ASN 690 -17.420 -8.383 -31.142 307 HB2 ASN 690 HB2 ASN 690 -15.602 -6.054 -31.858 308 HB3 ASN 690 HB1 ASN 690 -16.695 -6.826 -33.005 309 HD21 ASN 690 HD21 ASN 690 -18.942 -6.544 -32.765 310 HD22 ASN 690 HD22 ASN 690 -19.608 -5.294 -31.773 311 H TYR 691 HN TYR 691 -14.491 -9.213 -30.178 312 HA TYR 691 HA TYR 691 -13.237 -10.214 -32.585 313 HB2 TYR 691 HB2 TYR 691 -12.088 -9.397 -30.439 314 HB3 TYR 691 HB1 TYR 691 -12.689 -10.835 -29.641 315 HD1 TYR 691 HD1 TYR 691 -11.693 -13.075 -30.215 316 HD2 TYR 691 HD2 TYR 691 -10.120 -9.460 -31.868 317 HE1 TYR 691 HE1 TYR 691 -9.609 -14.229 -30.766 318 HE2 TYR 691 HE2 TYR 691 -8.028 -10.639 -32.423 319 HH TYR 691 HH TYR 691 -6.778 -12.640 -31.695 320 H ASP 692 HN ASP 692 -12.988 -12.643 -32.942 321 HA ASP 692 HA ASP 692 -15.135 -14.259 -31.658 322 HB2 ASP 692 HB2 ASP 692 -14.538 -14.080 -34.630 323 HB3 ASP 692 HB1 ASP 692 -15.264 -15.532 -33.940 324 H GLU 693 HN GLU 693 -14.912 -16.576 -32.020 325 HA GLU 693 HA GLU 693 -12.415 -17.475 -31.026 326 HB2 GLU 693 HB2 GLU 693 -13.515 -19.791 -31.152 327 HB3 GLU 693 HB1 GLU 693 -14.297 -18.583 -30.153 328 HG2 GLU 693 HG2 GLU 693 -16.128 -19.498 -31.211 329 HG3 GLU 693 HG1 GLU 693 -15.772 -18.129 -32.263 330 H LYS 694 HN LYS 694 -13.811 -17.522 -34.238 331 HA LYS 694 HA LYS 694 -12.407 -19.536 -35.523 332 HB2 LYS 694 HB2 LYS 694 -13.085 -16.825 -36.748 333 HB3 LYS 694 HB1 LYS 694 -12.596 -18.243 -37.657 334 HG2 LYS 694 HG2 LYS 694 -14.906 -18.194 -37.951 335 HG3 LYS 694 HG1 LYS 694 -14.706 -19.388 -36.665 336 HD2 LYS 694 HD2 LYS 694 -15.389 -17.763 -34.988 337 HD3 LYS 694 HD1 LYS 694 -15.391 -16.462 -36.178 338 HE2 LYS 694 HE2 LYS 694 -17.258 -17.591 -37.376 339 HE3 LYS 694 HE1 LYS 694 -17.274 -18.851 -36.137 340 HZ1 LYS 694 HZ1 LYS 694 -17.702 -15.962 -35.572 341 HZ2 LYS 694 HZ2 LYS 694 -17.911 -17.263 -34.508 342 HZ3 LYS 694 HZ3 LYS 694 -18.952 -17.079 -35.822 343 H ASN 695 HN ASN 695 -11.353 -16.212 -34.938 344 HA ASN 695 HA ASN 695 -8.628 -16.801 -35.902 345 HB2 ASN 695 HB2 ASN 695 -8.367 -14.295 -35.950 346 HB3 ASN 695 HB1 ASN 695 -9.608 -14.910 -37.036 347 HD21 ASN 695 HD21 ASN 695 -9.066 -13.290 -33.974 348 HD22 ASN 695 HD22 ASN 695 -10.624 -12.546 -33.887 349 H LEU 696 HN LEU 696 -10.301 -16.681 -33.003 350 HA LEU 696 HA LEU 696 -8.258 -15.807 -31.197 351 HB2 LEU 696 HB2 LEU 696 -10.576 -16.085 -30.499 352 HB3 LEU 696 HB1 LEU 696 -10.558 -17.774 -30.950 353 HG LEU 696 HG LEU 696 -8.986 -18.228 -29.040 354 HD11 LEU 696 HD11 LEU 696 -7.977 -16.023 -28.763 355 HD12 LEU 696 HD12 LEU 696 -8.735 -16.553 -27.266 356 HD13 LEU 696 HD13 LEU 696 -9.536 -15.345 -28.272 357 HD21 LEU 696 HD21 LEU 696 -10.725 -18.105 -27.309 358 HD22 LEU 696 HD22 LEU 696 -11.413 -18.619 -28.845 359 HD23 LEU 696 HD23 LEU 696 -11.646 -16.960 -28.285 360 H LYS 697 HN LYS 697 -8.909 -18.756 -32.957 361 HA LYS 697 HA LYS 697 -6.646 -20.227 -31.836 362 HB2 LYS 697 HB2 LYS 697 -8.891 -20.909 -33.755 363 HB3 LYS 697 HB1 LYS 697 -7.467 -21.934 -33.691 364 HG2 LYS 697 HG2 LYS 697 -8.896 -23.018 -32.207 365 HG3 LYS 697 HG1 LYS 697 -7.932 -22.035 -31.112 366 HD2 LYS 697 HD2 LYS 697 -10.123 -21.730 -30.308 367 HD3 LYS 697 HD1 LYS 697 -9.884 -20.298 -31.313 368 HE2 LYS 697 HE2 LYS 697 -12.079 -21.196 -31.799 369 HE3 LYS 697 HE1 LYS 697 -11.045 -21.510 -33.193 370 HZ1 LYS 697 HZ1 LYS 697 -10.735 -23.778 -32.379 371 HZ2 LYS 697 HZ2 LYS 697 -12.362 -23.435 -32.677 372 HZ3 LYS 697 HZ3 LYS 697 -11.782 -23.466 -31.089 373 H ILE 698 HN ILE 698 -6.437 -17.689 -33.721 374 HA ILE 698 HA ILE 698 -4.275 -18.807 -35.434 375 HB ILE 698 HB ILE 698 -6.086 -16.555 -36.447 376 HG12 ILE 698 HG12 ILE 698 -6.334 -19.488 -37.277 377 HG13 ILE 698 HG11 ILE 698 -7.444 -18.648 -36.192 378 HG21 ILE 698 HG21 ILE 698 -5.059 -17.042 -38.642 379 HG22 ILE 698 HG22 ILE 698 -4.090 -18.327 -37.915 380 HG23 ILE 698 HG23 ILE 698 -3.836 -16.647 -37.435 381 HD11 ILE 698 HD11 ILE 698 -6.961 -17.998 -39.097 382 HD12 ILE 698 HD12 ILE 698 -8.014 -17.090 -38.005 383 HD13 ILE 698 HD13 ILE 698 -8.382 -18.774 -38.394 384 H LYS 699 HN LYS 699 -5.803 -15.696 -34.772 385 HA LYS 699 HA LYS 699 -3.276 -14.280 -34.863 386 HB2 LYS 699 HB2 LYS 699 -6.169 -13.356 -34.696 387 HB3 LYS 699 HB1 LYS 699 -4.796 -12.265 -34.893 388 HG2 LYS 699 HG2 LYS 699 -4.330 -13.043 -37.078 389 HG3 LYS 699 HG1 LYS 699 -5.288 -14.501 -36.864 390 HD2 LYS 699 HD2 LYS 699 -6.444 -12.937 -38.355 391 HD3 LYS 699 HD1 LYS 699 -7.354 -13.155 -36.859 392 HE2 LYS 699 HE2 LYS 699 -6.477 -11.012 -36.013 393 HE3 LYS 699 HE1 LYS 699 -5.538 -10.817 -37.493 394 HZ1 LYS 699 HZ1 LYS 699 -7.573 -10.696 -38.751 395 HZ2 LYS 699 HZ2 LYS 699 -7.598 -9.544 -37.513 396 HZ3 LYS 699 HZ3 LYS 699 -8.497 -10.966 -37.359 397 HA PRO 700 HA PRO 700 -2.833 -13.266 -30.409 398 HB2 PRO 700 HB2 PRO 700 -2.118 -10.565 -30.719 399 HB3 PRO 700 HB1 PRO 700 -0.996 -11.926 -30.859 400 HG2 PRO 700 HG2 PRO 700 -2.514 -10.498 -33.063 401 HG3 PRO 700 HG1 PRO 700 -0.778 -10.901 -32.979 402 HD2 PRO 700 HD2 PRO 700 -2.390 -12.432 -34.398 403 HD3 PRO 700 HD1 PRO 700 -1.208 -13.221 -33.323 404 H PHE 701 HN PHE 701 -3.915 -12.065 -28.771 405 HA PHE 701 HA PHE 701 -6.362 -10.609 -29.495 406 HB2 PHE 701 HB2 PHE 701 -7.615 -12.147 -27.820 407 HB3 PHE 701 HB1 PHE 701 -7.296 -12.768 -29.429 408 HD1 PHE 701 HD1 PHE 701 -5.656 -14.577 -29.782 409 HD2 PHE 701 HD2 PHE 701 -6.526 -13.134 -25.844 410 HE1 PHE 701 HE1 PHE 701 -4.608 -16.579 -28.815 411 HE2 PHE 701 HE2 PHE 701 -5.474 -15.151 -24.894 412 HZ PHE 701 HZ PHE 701 -4.511 -16.866 -26.372 413 H TYR 702 HN TYR 702 -6.885 -9.025 -28.066 414 HA TYR 702 HA TYR 702 -5.480 -8.861 -25.475 415 HB2 TYR 702 HB2 TYR 702 -5.455 -6.604 -27.540 416 HB3 TYR 702 HB1 TYR 702 -4.740 -6.543 -25.930 417 HD1 TYR 702 HD2 TYR 702 -2.807 -8.196 -25.410 418 HD2 TYR 702 HD1 TYR 702 -4.178 -7.431 -29.384 419 HE1 TYR 702 HE2 TYR 702 -0.738 -9.167 -26.314 420 HE2 TYR 702 HE1 TYR 702 -2.116 -8.416 -30.282 421 HH TYR 702 HH TYR 702 0.178 -8.860 -29.593 422 H CYS 703 HN CYS 703 -6.314 -7.201 -24.079 423 HA CYS 703 HA CYS 703 -9.211 -7.085 -24.055 424 HB2 CYS 703 HB2 CYS 703 -8.993 -6.430 -21.774 425 HB3 CYS 703 HB1 CYS 703 -7.690 -7.583 -22.035 426 HA PRO 704 HA PRO 704 -9.964 -3.135 -25.824 427 HB2 PRO 704 HB2 PRO 704 -11.634 -1.796 -24.012 428 HB3 PRO 704 HB1 PRO 704 -12.163 -3.062 -25.131 429 HG2 PRO 704 HG2 PRO 704 -11.380 -3.310 -22.224 430 HG3 PRO 704 HG1 PRO 704 -12.780 -4.012 -23.070 431 HD2 PRO 704 HD2 PRO 704 -10.639 -5.512 -22.548 432 HD3 PRO 704 HD1 PRO 704 -11.464 -5.666 -24.113 433 H HIS 705 HN HIS 705 -8.963 -2.776 -22.395 434 HA HIS 705 HA HIS 705 -8.263 -0.038 -22.512 435 HB2 HIS 705 HB2 HIS 705 -7.501 -2.271 -20.621 436 HB3 HIS 705 HB1 HIS 705 -6.716 -0.707 -20.473 437 HD1 HIS 705 HD1 HIS 705 -7.903 1.021 -19.132 438 HD2 HIS 705 HD2 HIS 705 -10.439 -2.073 -20.279 439 HE1 HIS 705 HE1 HIS 705 -10.071 1.449 -17.943 440 HE2 HIS 705 HE2 HIS 705 -11.522 -0.529 -18.518 441 H CYS 706 HN CYS 706 -6.317 -2.932 -23.241 442 HA CYS 706 HA CYS 706 -3.837 -1.552 -23.605 443 HB2 CYS 706 HB2 CYS 706 -4.777 -4.282 -24.522 444 HB3 CYS 706 HB1 CYS 706 -3.174 -3.663 -24.908 445 H LEU 707 HN LEU 707 -6.543 -2.310 -25.737 446 HA LEU 707 HA LEU 707 -5.342 -1.602 -28.212 447 HB2 LEU 707 HB2 LEU 707 -8.285 -1.440 -27.450 448 HB3 LEU 707 HB1 LEU 707 -7.640 -1.479 -29.086 449 HG LEU 707 HG LEU 707 -7.490 -3.767 -27.072 450 HD11 LEU 707 HD11 LEU 707 -9.100 -4.929 -28.525 451 HD12 LEU 707 HD12 LEU 707 -9.219 -3.498 -29.553 452 HD13 LEU 707 HD13 LEU 707 -9.775 -3.433 -27.879 453 HD21 LEU 707 HD21 LEU 707 -5.545 -3.813 -28.563 454 HD22 LEU 707 HD22 LEU 707 -6.596 -3.719 -29.976 455 HD23 LEU 707 HD23 LEU 707 -6.637 -5.143 -28.933 456 H VAL 708 HN VAL 708 -7.309 0.199 -25.873 457 HA VAL 708 HA VAL 708 -7.326 2.717 -27.193 458 HB VAL 708 HB VAL 708 -7.807 2.043 -24.251 459 HG11 VAL 708 HG11 VAL 708 -8.506 4.608 -25.740 460 HG12 VAL 708 HG12 VAL 708 -7.296 4.439 -24.467 461 HG13 VAL 708 HG13 VAL 708 -9.003 4.213 -24.088 462 HG21 VAL 708 HG21 VAL 708 -9.809 2.441 -26.514 463 HG22 VAL 708 HG22 VAL 708 -10.214 2.136 -24.823 464 HG23 VAL 708 HG23 VAL 708 -9.384 0.899 -25.766 465 H ALA 709 HN ALA 709 -5.104 1.197 -24.933 466 HA ALA 709 HA ALA 709 -3.569 3.484 -24.218 467 HB1 ALA 709 HB1 ALA 709 -1.901 1.871 -23.399 468 HB2 ALA 709 HB2 ALA 709 -2.739 0.562 -24.238 469 HB3 ALA 709 HB3 ALA 709 -3.530 1.403 -22.903 470 H MET 710 HN MET 710 -3.424 1.216 -26.924 471 HA MET 710 HA MET 710 -0.977 2.286 -28.045 472 HB2 MET 710 HB2 MET 710 -3.054 0.397 -29.218 473 HB3 MET 710 HB1 MET 710 -1.541 0.821 -30.012 474 HG2 MET 710 HG2 MET 710 -0.295 -0.186 -28.110 475 HG3 MET 710 HG1 MET 710 -1.830 -0.662 -27.383 476 HE1 MET 710 HE1 MET 710 -3.526 -2.456 -28.545 477 HE2 MET 710 HE2 MET 710 -3.168 -3.251 -30.081 478 HE3 MET 710 HE3 MET 710 -3.505 -1.522 -30.040 479 H GLU 711 HN GLU 711 -4.316 3.178 -28.188 480 HA GLU 711 HA GLU 711 -4.319 4.512 -30.717 481 HB2 GLU 711 HB2 GLU 711 -6.154 4.770 -28.302 482 HB3 GLU 711 HB1 GLU 711 -6.436 5.609 -29.826 483 HG2 GLU 711 HG2 GLU 711 -6.321 2.597 -29.484 484 HG3 GLU 711 HG1 GLU 711 -7.797 3.555 -29.581 485 HA PRO 712 HA PRO 712 -2.263 8.356 -29.542 486 HB2 PRO 712 HB2 PRO 712 -3.051 9.978 -31.580 487 HB3 PRO 712 HB1 PRO 712 -1.947 8.619 -31.837 488 HG2 PRO 712 HG2 PRO 712 -4.922 8.751 -32.310 489 HG3 PRO 712 HG1 PRO 712 -3.650 8.129 -33.385 490 HD2 PRO 712 HD2 PRO 712 -5.167 6.490 -31.821 491 HD3 PRO 712 HD1 PRO 712 -3.476 6.113 -32.219 492 H VAL 713 HN VAL 713 -2.642 10.591 -29.128 493 HA VAL 713 HA VAL 713 -5.094 11.015 -27.548 494 HB VAL 713 HB VAL 713 -2.385 12.415 -27.252 495 HG11 VAL 713 HG11 VAL 713 -4.648 12.093 -25.258 496 HG12 VAL 713 HG12 VAL 713 -4.247 13.568 -26.136 497 HG13 VAL 713 HG13 VAL 713 -3.111 12.913 -24.958 498 HG21 VAL 713 HG21 VAL 713 -2.030 9.981 -26.988 499 HG22 VAL 713 HG22 VAL 713 -3.293 9.917 -25.759 500 HG23 VAL 713 HG23 VAL 713 -1.809 10.823 -25.454 501 H SER 714 HN SER 714 -5.706 13.449 -27.333 502 HA SER 714 HA SER 714 -6.392 14.685 -29.704 503 HB2 SER 714 HB2 SER 714 -5.920 15.958 -26.979 504 HB3 SER 714 HB1 SER 714 -6.760 16.751 -28.312 505 HG SER 714 HG SER 714 -8.475 15.624 -27.880 506 H THR 715 HN THR 715 -5.238 15.628 -31.247 507 HA THR 715 HA THR 715 -2.520 16.701 -30.715 508 HB THR 715 HB THR 715 -3.580 15.281 -33.209 509 HG1 THR 715 HG1 THR 715 -3.226 13.793 -31.620 510 HG21 THR 715 HG21 THR 715 -0.749 16.240 -32.615 511 HG22 THR 715 HG22 THR 715 -1.844 16.940 -33.810 512 HG23 THR 715 HG23 THR 715 -1.253 15.292 -34.017 513 H ARG 716 HN ARG 716 -2.148 18.776 -31.357 514 HA ARG 716 HA ARG 716 -4.229 20.355 -32.640 515 HB2 ARG 716 HB2 ARG 716 -1.459 21.115 -31.589 516 HB3 ARG 716 HB1 ARG 716 -2.529 22.253 -32.386 517 HG2 ARG 716 HG2 ARG 716 -2.803 22.669 -30.077 518 HG3 ARG 716 HG1 ARG 716 -4.239 21.764 -30.549 519 HD2 ARG 716 HD2 ARG 716 -3.241 19.706 -29.613 520 HD3 ARG 716 HD1 ARG 716 -1.801 20.620 -29.138 521 HE ARG 716 HE ARG 716 -4.491 21.296 -28.112 522 HH11 ARG 716 HH11 ARG 716 -1.139 20.492 -27.421 523 HH12 ARG 716 HH12 ARG 716 -1.307 20.778 -25.720 524 HH21 ARG 716 HH21 ARG 716 -4.699 21.630 -25.870 525 HH22 ARG 716 HH22 ARG 716 -3.313 21.418 -24.846 Start of MODEL 14 1 H PHE 652 HT1 PHE 652 2.434 -13.396 5.042 2 HA PHE 652 HA PHE 652 1.024 -14.534 3.542 3 HB2 PHE 652 HB2 PHE 652 -1.104 -14.244 5.705 4 HB3 PHE 652 HB1 PHE 652 -1.407 -14.835 4.072 5 HD1 PHE 652 HD1 PHE 652 0.232 -16.847 3.341 6 HD2 PHE 652 HD2 PHE 652 -0.819 -15.888 7.374 7 HE1 PHE 652 HE1 PHE 652 0.780 -19.143 4.032 8 HE2 PHE 652 HE2 PHE 652 -0.269 -18.189 8.056 9 HZ PHE 652 HZ PHE 652 0.529 -19.820 6.388 10 H ASN 653 HN ASN 653 1.417 -12.787 2.282 11 HA ASN 653 HA ASN 653 -0.301 -10.377 2.527 12 HB2 ASN 653 HB2 ASN 653 2.581 -10.514 1.470 13 HB3 ASN 653 HB1 ASN 653 1.578 -9.068 1.561 14 HD21 ASN 653 HD21 ASN 653 1.057 -8.216 3.639 15 HD22 ASN 653 HD22 ASN 653 2.053 -8.559 5.007 16 H THR 654 HN THR 654 -1.649 -10.214 0.794 17 HA THR 654 HA THR 654 -0.793 -11.214 -1.859 18 HB THR 654 HB THR 654 -3.242 -12.027 -2.174 19 HG1 THR 654 HG1 THR 654 -3.787 -11.006 0.001 20 HG21 THR 654 HG21 THR 654 -2.821 -14.252 -1.191 21 HG22 THR 654 HG22 THR 654 -1.482 -13.591 -0.249 22 HG23 THR 654 HG23 THR 654 -1.381 -13.639 -2.010 23 H SER 655 HN SER 655 -0.586 -9.273 -2.850 24 HA SER 655 HA SER 655 -2.811 -7.353 -2.884 25 HB2 SER 655 HB2 SER 655 -0.140 -7.255 -4.361 26 HB3 SER 655 HB1 SER 655 -1.322 -5.949 -4.235 27 HG SER 655 HG SER 655 0.154 -7.128 -2.122 28 H ASP 656 HN ASP 656 -4.348 -8.739 -3.808 29 HA ASP 656 HA ASP 656 -3.864 -10.316 -6.132 30 HB2 ASP 656 HB2 ASP 656 -5.549 -10.988 -4.490 31 HB3 ASP 656 HB1 ASP 656 -6.464 -9.511 -4.775 32 H TYR 657 HN TYR 657 -4.299 -9.959 -8.192 33 HA TYR 657 HA TYR 657 -4.661 -7.199 -9.082 34 HB2 TYR 657 HB2 TYR 657 -3.848 -9.711 -10.614 35 HB3 TYR 657 HB1 TYR 657 -3.940 -8.097 -11.319 36 HD1 TYR 657 HD1 TYR 657 -2.392 -6.273 -10.449 37 HD2 TYR 657 HD2 TYR 657 -1.889 -10.372 -9.340 38 HE1 TYR 657 HE1 TYR 657 -0.099 -5.790 -9.717 39 HE2 TYR 657 HE2 TYR 657 0.413 -9.880 -8.618 40 HH TYR 657 HH TYR 657 2.174 -8.209 -9.072 41 H ARG 658 HN ARG 658 -6.235 -6.540 -10.583 42 HA ARG 658 HA ARG 658 -8.754 -8.006 -10.435 43 HB2 ARG 658 HB2 ARG 658 -8.022 -5.266 -11.523 44 HB3 ARG 658 HB1 ARG 658 -9.634 -5.935 -11.690 45 HG2 ARG 658 HG2 ARG 658 -9.719 -4.443 -9.845 46 HG3 ARG 658 HG1 ARG 658 -9.749 -6.067 -9.155 47 HD2 ARG 658 HD2 ARG 658 -7.333 -5.873 -8.647 48 HD3 ARG 658 HD1 ARG 658 -7.334 -4.246 -9.331 49 HE ARG 658 HE ARG 658 -9.255 -4.043 -7.462 50 HH11 ARG 658 HH11 ARG 658 -5.981 -5.266 -7.224 51 HH12 ARG 658 HH12 ARG 658 -5.802 -4.804 -5.568 52 HH21 ARG 658 HH21 ARG 658 -8.979 -3.421 -5.273 53 HH22 ARG 658 HH22 ARG 658 -7.486 -3.773 -4.459 54 H PHE 659 HN PHE 659 -9.050 -9.603 -11.875 55 HA PHE 659 HA PHE 659 -8.726 -9.044 -14.741 56 HB2 PHE 659 HB2 PHE 659 -8.081 -11.585 -14.976 57 HB3 PHE 659 HB1 PHE 659 -6.853 -10.407 -14.556 58 HD1 PHE 659 HD1 PHE 659 -9.090 -13.021 -13.061 59 HD2 PHE 659 HD2 PHE 659 -5.546 -10.672 -12.595 60 HE1 PHE 659 HE1 PHE 659 -8.452 -14.358 -11.098 61 HE2 PHE 659 HE2 PHE 659 -4.921 -12.018 -10.633 62 HZ PHE 659 HZ PHE 659 -6.373 -13.853 -9.884 63 H GLU 660 HN GLU 660 -10.765 -8.867 -15.345 64 HA GLU 660 HA GLU 660 -12.673 -11.047 -15.015 65 HB2 GLU 660 HB2 GLU 660 -13.064 -9.801 -12.953 66 HB3 GLU 660 HB1 GLU 660 -13.116 -8.274 -13.811 67 HG2 GLU 660 HG2 GLU 660 -15.341 -8.875 -13.158 68 HG3 GLU 660 HG1 GLU 660 -15.227 -8.980 -14.913 69 H CYS 661 HN CYS 661 -14.216 -11.066 -16.628 70 HA CYS 661 HA CYS 661 -13.937 -9.260 -18.856 71 HB2 CYS 661 HB2 CYS 661 -14.538 -11.651 -19.214 72 HB3 CYS 661 HB1 CYS 661 -16.083 -11.365 -18.417 73 H ILE 662 HN ILE 662 -15.201 -7.584 -19.386 74 HA ILE 662 HA ILE 662 -16.294 -5.946 -17.498 75 HB ILE 662 HB ILE 662 -17.333 -4.665 -19.459 76 HG12 ILE 662 HG12 ILE 662 -15.999 -6.879 -21.104 77 HG13 ILE 662 HG11 ILE 662 -17.741 -6.696 -20.909 78 HG21 ILE 662 HG21 ILE 662 -14.390 -5.414 -19.658 79 HG22 ILE 662 HG22 ILE 662 -15.076 -4.163 -18.621 80 HG23 ILE 662 HG23 ILE 662 -15.135 -3.980 -20.377 81 HD11 ILE 662 HD11 ILE 662 -15.878 -4.763 -22.265 82 HD12 ILE 662 HD12 ILE 662 -17.619 -4.537 -22.052 83 HD13 ILE 662 HD13 ILE 662 -17.012 -5.869 -23.037 84 H CYS 663 HN CYS 663 -18.078 -8.530 -19.105 85 HA CYS 663 HA CYS 663 -20.699 -7.485 -18.403 86 HB2 CYS 663 HB2 CYS 663 -21.589 -9.570 -19.305 87 HB3 CYS 663 HB1 CYS 663 -20.394 -8.893 -20.406 88 H GLY 664 HN GLY 664 -18.429 -9.778 -17.025 89 HA2 GLY 664 HA2 GLY 664 -18.263 -10.629 -14.904 90 HA3 GLY 664 HA1 GLY 664 -19.633 -9.640 -14.427 91 H GLU 665 HN GLU 665 -19.567 -12.164 -16.928 92 HA GLU 665 HA GLU 665 -21.641 -13.717 -15.492 93 HB2 GLU 665 HB2 GLU 665 -20.878 -13.840 -18.442 94 HB3 GLU 665 HB1 GLU 665 -22.251 -14.634 -17.672 95 HG2 GLU 665 HG2 GLU 665 -23.330 -12.500 -17.259 96 HG3 GLU 665 HG1 GLU 665 -21.907 -11.625 -17.840 97 H LEU 666 HN LEU 666 -19.235 -14.646 -17.989 98 HA LEU 666 HA LEU 666 -18.059 -16.760 -16.274 99 HB2 LEU 666 HB2 LEU 666 -19.143 -17.156 -19.111 100 HB3 LEU 666 HB1 LEU 666 -18.187 -18.345 -18.239 101 HG LEU 666 HG LEU 666 -20.980 -17.421 -17.435 102 HD11 LEU 666 HD11 LEU 666 -21.038 -18.732 -19.510 103 HD12 LEU 666 HD12 LEU 666 -21.746 -19.634 -18.176 104 HD13 LEU 666 HD13 LEU 666 -20.120 -20.033 -18.743 105 HD21 LEU 666 HD21 LEU 666 -19.235 -19.628 -16.265 106 HD22 LEU 666 HD22 LEU 666 -20.913 -19.294 -15.826 107 HD23 LEU 666 HD23 LEU 666 -19.665 -18.103 -15.481 108 H ASP 667 HN ASP 667 -16.089 -17.753 -17.670 109 HA ASP 667 HA ASP 667 -15.275 -16.385 -20.009 110 HB2 ASP 667 HB2 ASP 667 -14.509 -14.843 -17.918 111 HB3 ASP 667 HB1 ASP 667 -13.147 -15.959 -17.898 112 H GLN 668 HN GLN 668 -15.714 -18.790 -20.112 113 HA GLN 668 HA GLN 668 -13.090 -20.147 -20.332 114 HB2 GLN 668 HB2 GLN 668 -15.469 -21.913 -19.663 115 HB3 GLN 668 HB1 GLN 668 -13.756 -22.185 -19.394 116 HG2 GLN 668 HG2 GLN 668 -14.723 -22.019 -17.252 117 HG3 GLN 668 HG1 GLN 668 -13.910 -20.480 -17.524 118 HE21 GLN 668 HE21 GLN 668 -17.019 -21.270 -19.007 119 HE22 GLN 668 HE22 GLN 668 -17.946 -20.150 -18.076 120 H ILE 669 HN ILE 669 -13.184 -21.842 -22.083 121 HA ILE 669 HA ILE 669 -14.735 -20.855 -24.331 122 HB ILE 669 HB ILE 669 -12.804 -23.227 -24.255 123 HG12 ILE 669 HG12 ILE 669 -12.341 -20.334 -25.138 124 HG13 ILE 669 HG11 ILE 669 -11.696 -21.068 -23.673 125 HG21 ILE 669 HG21 ILE 669 -14.374 -23.374 -26.163 126 HG22 ILE 669 HG22 ILE 669 -12.749 -23.002 -26.729 127 HG23 ILE 669 HG23 ILE 669 -13.963 -21.724 -26.649 128 HD11 ILE 669 HD11 ILE 669 -10.990 -21.814 -26.508 129 HD12 ILE 669 HD12 ILE 669 -10.350 -22.585 -25.052 130 HD13 ILE 669 HD13 ILE 669 -10.009 -20.886 -25.375 131 H ASP 670 HN ASP 670 -16.731 -21.258 -23.366 132 HA ASP 670 HA ASP 670 -18.170 -23.398 -24.478 133 HB2 ASP 670 HB2 ASP 670 -18.949 -24.627 -22.590 134 HB3 ASP 670 HB1 ASP 670 -17.214 -24.546 -22.355 135 H ARG 671 HN ARG 671 -20.455 -22.927 -24.295 136 HA ARG 671 HA ARG 671 -22.200 -21.523 -24.536 137 HB2 ARG 671 HB2 ARG 671 -21.015 -19.976 -22.184 138 HB3 ARG 671 HB1 ARG 671 -22.613 -19.710 -22.870 139 HG2 ARG 671 HG2 ARG 671 -21.697 -22.262 -21.504 140 HG3 ARG 671 HG1 ARG 671 -22.671 -20.994 -20.760 141 HD2 ARG 671 HD2 ARG 671 -24.368 -21.431 -22.676 142 HD3 ARG 671 HD1 ARG 671 -23.466 -22.930 -22.958 143 HE ARG 671 HE ARG 671 -24.915 -22.203 -20.468 144 HH11 ARG 671 HH11 ARG 671 -23.518 -24.730 -22.469 145 HH12 ARG 671 HH12 ARG 671 -24.252 -26.008 -21.553 146 HH21 ARG 671 HH21 ARG 671 -25.895 -23.888 -19.316 147 HH22 ARG 671 HH22 ARG 671 -25.579 -25.535 -19.767 148 H LYS 672 HN LYS 672 -19.656 -19.211 -23.556 149 HA LYS 672 HA LYS 672 -19.895 -17.784 -26.136 150 HB2 LYS 672 HB2 LYS 672 -19.186 -16.594 -23.418 151 HB3 LYS 672 HB1 LYS 672 -19.473 -15.702 -24.917 152 HG2 LYS 672 HG2 LYS 672 -21.566 -17.368 -23.462 153 HG3 LYS 672 HG1 LYS 672 -21.360 -15.630 -23.235 154 HD2 LYS 672 HD2 LYS 672 -21.777 -16.600 -26.068 155 HD3 LYS 672 HD1 LYS 672 -23.160 -16.695 -24.977 156 HE2 LYS 672 HE2 LYS 672 -21.565 -14.158 -25.472 157 HE3 LYS 672 HE1 LYS 672 -23.065 -14.565 -26.312 158 HZ1 LYS 672 HZ1 LYS 672 -24.204 -14.579 -24.192 159 HZ2 LYS 672 HZ2 LYS 672 -23.447 -13.092 -24.433 160 HZ3 LYS 672 HZ3 LYS 672 -22.768 -14.221 -23.374 161 HA PRO 673 HA PRO 673 -15.427 -18.561 -26.334 162 HB2 PRO 673 HB2 PRO 673 -14.727 -16.722 -28.265 163 HB3 PRO 673 HB1 PRO 673 -15.529 -18.248 -28.618 164 HG2 PRO 673 HG2 PRO 673 -16.687 -15.496 -28.442 165 HG3 PRO 673 HG1 PRO 673 -17.085 -16.815 -29.564 166 HD2 PRO 673 HD2 PRO 673 -18.598 -16.165 -27.336 167 HD3 PRO 673 HD1 PRO 673 -18.588 -17.774 -28.080 168 H ARG 674 HN ARG 674 -13.409 -17.532 -25.761 169 HA ARG 674 HA ARG 674 -13.541 -14.894 -24.506 170 HB2 ARG 674 HB2 ARG 674 -12.569 -15.828 -22.359 171 HB3 ARG 674 HB1 ARG 674 -14.240 -16.273 -22.673 172 HG2 ARG 674 HG2 ARG 674 -13.450 -18.308 -22.021 173 HG3 ARG 674 HG1 ARG 674 -13.147 -18.441 -23.741 174 HD2 ARG 674 HD2 ARG 674 -11.117 -19.172 -23.000 175 HD3 ARG 674 HD1 ARG 674 -10.747 -17.450 -22.963 176 HE ARG 674 HE ARG 674 -11.580 -17.675 -20.505 177 HH11 ARG 674 HH11 ARG 674 -9.557 -19.951 -22.248 178 HH12 ARG 674 HH12 ARG 674 -8.907 -20.656 -20.803 179 HH21 ARG 674 HH21 ARG 674 -10.709 -18.607 -18.636 180 HH22 ARG 674 HH22 ARG 674 -9.533 -19.878 -18.764 181 H VAL 675 HN VAL 675 -11.646 -13.901 -24.281 182 HA VAL 675 HA VAL 675 -9.235 -15.067 -25.480 183 HB VAL 675 HB VAL 675 -8.709 -12.823 -26.416 184 HG11 VAL 675 HG11 VAL 675 -9.797 -14.496 -27.828 185 HG12 VAL 675 HG12 VAL 675 -10.359 -12.881 -28.260 186 HG13 VAL 675 HG13 VAL 675 -11.388 -13.944 -27.297 187 HG21 VAL 675 HG21 VAL 675 -10.441 -11.048 -26.571 188 HG22 VAL 675 HG22 VAL 675 -9.984 -11.356 -24.893 189 HG23 VAL 675 HG23 VAL 675 -11.501 -12.000 -25.521 190 H GLN 676 HN GLN 676 -7.597 -15.134 -24.174 191 HA GLN 676 HA GLN 676 -7.549 -13.731 -21.611 192 HB2 GLN 676 HB2 GLN 676 -5.602 -15.832 -22.692 193 HB3 GLN 676 HB1 GLN 676 -5.751 -15.288 -21.019 194 HG2 GLN 676 HG2 GLN 676 -7.830 -16.854 -22.594 195 HG3 GLN 676 HG1 GLN 676 -6.776 -17.494 -21.330 196 HE21 GLN 676 HE21 GLN 676 -9.557 -15.458 -22.003 197 HE22 GLN 676 HE22 GLN 676 -10.164 -15.421 -20.392 198 H CYS 677 HN CYS 677 -6.814 -11.666 -21.815 199 HA CYS 677 HA CYS 677 -5.097 -10.824 -23.960 200 HB2 CYS 677 HB2 CYS 677 -6.822 -9.321 -23.048 201 HB3 CYS 677 HB1 CYS 677 -6.030 -9.326 -21.480 202 H LEU 678 HN LEU 678 -3.199 -11.936 -23.785 203 HA LEU 678 HA LEU 678 -1.713 -12.484 -21.485 204 HB2 LEU 678 HB2 LEU 678 0.126 -13.082 -23.055 205 HB3 LEU 678 HB1 LEU 678 -1.430 -13.759 -23.489 206 HG LEU 678 HG LEU 678 -1.543 -11.602 -25.099 207 HD11 LEU 678 HD11 LEU 678 1.452 -12.030 -24.919 208 HD12 LEU 678 HD12 LEU 678 0.574 -10.586 -24.405 209 HD13 LEU 678 HD13 LEU 678 0.607 -11.035 -26.107 210 HD21 LEU 678 HD21 LEU 678 0.023 -14.101 -25.806 211 HD22 LEU 678 HD22 LEU 678 -0.712 -12.976 -26.953 212 HD23 LEU 678 HD23 LEU 678 -1.732 -13.913 -25.866 213 H LYS 679 HN LYS 679 -1.761 -9.604 -23.412 214 HA LYS 679 HA LYS 679 0.638 -8.369 -22.761 215 HB2 LYS 679 HB2 LYS 679 -0.813 -7.612 -24.556 216 HB3 LYS 679 HB1 LYS 679 -2.086 -7.205 -23.419 217 HG2 LYS 679 HG2 LYS 679 -0.897 -5.304 -22.594 218 HG3 LYS 679 HG1 LYS 679 0.605 -5.811 -23.370 219 HD2 LYS 679 HD2 LYS 679 -1.908 -4.974 -24.899 220 HD3 LYS 679 HD1 LYS 679 -0.559 -3.891 -24.538 221 HE2 LYS 679 HE2 LYS 679 -0.398 -6.433 -26.196 222 HE3 LYS 679 HE1 LYS 679 -0.400 -4.787 -26.830 223 HZ1 LYS 679 HZ1 LYS 679 1.694 -4.374 -25.731 224 HZ2 LYS 679 HZ2 LYS 679 1.832 -5.774 -26.672 225 HZ3 LYS 679 HZ3 LYS 679 1.662 -5.897 -24.998 226 H CYS 680 HN CYS 680 -2.316 -8.670 -20.799 227 HA CYS 680 HA CYS 680 -0.953 -7.321 -18.563 228 HB2 CYS 680 HB2 CYS 680 -2.737 -5.761 -18.120 229 HB3 CYS 680 HB1 CYS 680 -2.325 -5.584 -19.821 230 H HIS 681 HN HIS 681 -2.236 -10.062 -19.442 231 HA HIS 681 HA HIS 681 -3.302 -11.855 -18.530 232 HB2 HIS 681 HB2 HIS 681 -2.443 -10.472 -15.955 233 HB3 HIS 681 HB1 HIS 681 -3.057 -12.119 -16.022 234 HD1 HIS 681 HD1 HIS 681 0.027 -10.182 -16.317 235 HD2 HIS 681 HD2 HIS 681 -1.325 -13.906 -17.574 236 HE1 HIS 681 HE1 HIS 681 2.092 -11.477 -16.924 237 HE2 HIS 681 HE2 HIS 681 1.237 -13.673 -17.818 238 H LEU 682 HN LEU 682 -5.061 -9.778 -19.306 239 HA LEU 682 HA LEU 682 -7.148 -9.637 -17.198 240 HB2 LEU 682 HB2 LEU 682 -6.206 -7.501 -18.281 241 HB3 LEU 682 HB1 LEU 682 -6.986 -7.992 -19.765 242 HG LEU 682 HG LEU 682 -8.211 -6.208 -18.515 243 HD11 LEU 682 HD11 LEU 682 -10.460 -7.109 -18.670 244 HD12 LEU 682 HD12 LEU 682 -9.825 -8.755 -18.705 245 HD13 LEU 682 HD13 LEU 682 -9.479 -7.650 -20.034 246 HD21 LEU 682 HD21 LEU 682 -9.385 -6.690 -16.438 247 HD22 LEU 682 HD22 LEU 682 -7.642 -6.873 -16.237 248 HD23 LEU 682 HD23 LEU 682 -8.668 -8.302 -16.389 249 H TRP 683 HN TRP 683 -8.793 -11.007 -17.439 250 HA TRP 683 HA TRP 683 -9.089 -12.573 -19.886 251 HB2 TRP 683 HB2 TRP 683 -10.786 -12.908 -17.390 252 HB3 TRP 683 HB1 TRP 683 -10.349 -14.116 -18.592 253 HD1 TRP 683 HD1 TRP 683 -9.905 -14.002 -15.250 254 HE1 TRP 683 HE1 TRP 683 -7.623 -14.747 -14.370 255 HE3 TRP 683 HE3 TRP 683 -7.112 -13.517 -19.547 256 HZ2 TRP 683 HZ2 TRP 683 -5.013 -15.096 -15.313 257 HZ3 TRP 683 HZ3 TRP 683 -4.725 -14.086 -19.454 258 HH2 TRP 683 HH2 TRP 683 -3.692 -14.860 -17.376 259 H GLN 684 HN GLN 684 -10.632 -12.084 -21.411 260 HA GLN 684 HA GLN 684 -13.186 -10.939 -20.608 261 HB2 GLN 684 HB2 GLN 684 -11.240 -9.172 -21.397 262 HB3 GLN 684 HB1 GLN 684 -11.948 -9.560 -22.947 263 HG2 GLN 684 HG2 GLN 684 -13.796 -8.293 -22.571 264 HG3 GLN 684 HG1 GLN 684 -14.006 -8.948 -20.955 265 HE21 GLN 684 HE21 GLN 684 -12.799 -8.024 -19.229 266 HE22 GLN 684 HE22 GLN 684 -12.240 -6.407 -19.313 267 H HIS 685 HN HIS 685 -14.860 -11.493 -22.016 268 HA HIS 685 HA HIS 685 -14.540 -13.715 -23.711 269 HB2 HIS 685 HB2 HIS 685 -16.835 -11.769 -23.415 270 HB3 HIS 685 HB1 HIS 685 -16.912 -13.098 -24.555 271 HD2 HIS 685 HD2 HIS 685 -16.174 -15.668 -22.878 272 HE1 HIS 685 HE1 HIS 685 -18.952 -14.185 -20.049 273 HE2 HIS 685 HE2 HIS 685 -17.526 -16.175 -20.726 274 H ALA 686 HN ALA 686 -14.562 -13.928 -25.963 275 HA ALA 686 HA ALA 686 -13.230 -11.997 -27.498 276 HB1 ALA 686 HB1 ALA 686 -13.228 -14.396 -28.051 277 HB2 ALA 686 HB2 ALA 686 -13.777 -13.433 -29.426 278 HB3 ALA 686 HB3 ALA 686 -14.948 -14.317 -28.443 279 H LYS 687 HN LYS 687 -16.689 -12.938 -27.470 280 HA LYS 687 HA LYS 687 -17.504 -11.056 -29.429 281 HB2 LYS 687 HB2 LYS 687 -19.178 -12.535 -27.368 282 HB3 LYS 687 HB1 LYS 687 -19.805 -11.695 -28.780 283 HG2 LYS 687 HG2 LYS 687 -18.014 -14.139 -28.797 284 HG3 LYS 687 HG1 LYS 687 -19.741 -14.094 -29.167 285 HD2 LYS 687 HD2 LYS 687 -19.217 -12.595 -31.122 286 HD3 LYS 687 HD1 LYS 687 -17.498 -12.805 -30.771 287 HE2 LYS 687 HE2 LYS 687 -18.223 -14.304 -32.575 288 HE3 LYS 687 HE1 LYS 687 -17.707 -15.225 -31.160 289 HZ1 LYS 687 HZ1 LYS 687 -20.514 -14.629 -31.933 290 HZ2 LYS 687 HZ2 LYS 687 -20.050 -15.478 -30.545 291 HZ3 LYS 687 HZ3 LYS 687 -19.735 -16.123 -32.076 292 H CYS 688 HN CYS 688 -17.171 -10.813 -25.932 293 HA CYS 688 HA CYS 688 -18.790 -8.488 -25.562 294 HB2 CYS 688 HB2 CYS 688 -16.573 -9.664 -23.866 295 HB3 CYS 688 HB1 CYS 688 -17.460 -8.218 -23.396 296 H VAL 689 HN VAL 689 -15.636 -8.953 -26.902 297 HA VAL 689 HA VAL 689 -15.117 -6.030 -26.892 298 HB VAL 689 HB VAL 689 -12.739 -6.462 -27.051 299 HG11 VAL 689 HG11 VAL 689 -13.938 -8.198 -24.852 300 HG12 VAL 689 HG12 VAL 689 -13.682 -6.453 -24.775 301 HG13 VAL 689 HG13 VAL 689 -12.298 -7.541 -24.866 302 HG21 VAL 689 HG21 VAL 689 -13.351 -9.449 -27.091 303 HG22 VAL 689 HG22 VAL 689 -11.738 -8.733 -27.011 304 HG23 VAL 689 HG23 VAL 689 -12.735 -8.501 -28.446 305 H ASN 690 HN ASN 690 -16.579 -8.124 -28.749 306 HA ASN 690 HA ASN 690 -17.187 -8.273 -30.904 307 HB2 ASN 690 HB2 ASN 690 -15.609 -5.692 -31.215 308 HB3 ASN 690 HB1 ASN 690 -16.605 -6.379 -32.489 309 HD21 ASN 690 HD21 ASN 690 -18.865 -6.313 -32.298 310 HD22 ASN 690 HD22 ASN 690 -19.653 -5.296 -31.147 311 H TYR 691 HN TYR 691 -14.493 -9.284 -29.924 312 HA TYR 691 HA TYR 691 -13.173 -10.020 -32.439 313 HB2 TYR 691 HB2 TYR 691 -11.989 -9.479 -30.200 314 HB3 TYR 691 HB1 TYR 691 -12.636 -10.986 -29.584 315 HD1 TYR 691 HD2 TYR 691 -10.227 -9.487 -31.991 316 HD2 TYR 691 HD1 TYR 691 -11.562 -13.106 -30.156 317 HE1 TYR 691 HE2 TYR 691 -8.208 -10.646 -32.795 318 HE2 TYR 691 HE1 TYR 691 -9.546 -14.250 -30.958 319 HH TYR 691 HH TYR 691 -6.853 -12.661 -32.134 320 H ASP 692 HN ASP 692 -12.878 -12.549 -32.700 321 HA ASP 692 HA ASP 692 -15.242 -14.068 -31.745 322 HB2 ASP 692 HB2 ASP 692 -15.591 -14.997 -34.015 323 HB3 ASP 692 HB1 ASP 692 -15.774 -13.247 -34.015 324 H GLU 693 HN GLU 693 -14.969 -16.481 -32.258 325 HA GLU 693 HA GLU 693 -12.429 -17.250 -31.135 326 HB2 GLU 693 HB2 GLU 693 -13.389 -19.538 -31.023 327 HB3 GLU 693 HB1 GLU 693 -14.359 -18.330 -30.213 328 HG2 GLU 693 HG2 GLU 693 -16.145 -19.123 -31.303 329 HG3 GLU 693 HG1 GLU 693 -15.478 -18.443 -32.784 330 H LYS 694 HN LYS 694 -13.875 -17.382 -34.338 331 HA LYS 694 HA LYS 694 -12.345 -19.471 -35.461 332 HB2 LYS 694 HB2 LYS 694 -13.743 -17.108 -36.756 333 HB3 LYS 694 HB1 LYS 694 -12.832 -18.257 -37.717 334 HG2 LYS 694 HG2 LYS 694 -15.131 -18.888 -37.847 335 HG3 LYS 694 HG1 LYS 694 -14.305 -20.096 -36.855 336 HD2 LYS 694 HD2 LYS 694 -15.166 -18.901 -34.808 337 HD3 LYS 694 HD1 LYS 694 -16.088 -17.829 -35.866 338 HE2 LYS 694 HE2 LYS 694 -17.526 -19.607 -34.991 339 HE3 LYS 694 HE1 LYS 694 -17.335 -19.793 -36.736 340 HZ1 LYS 694 HZ1 LYS 694 -15.813 -21.312 -34.681 341 HZ2 LYS 694 HZ2 LYS 694 -15.717 -21.529 -36.353 342 HZ3 LYS 694 HZ3 LYS 694 -17.150 -21.897 -35.542 343 H ASN 695 HN ASN 695 -11.643 -15.999 -35.182 344 HA ASN 695 HA ASN 695 -9.002 -16.373 -36.402 345 HB2 ASN 695 HB2 ASN 695 -8.817 -14.042 -36.647 346 HB3 ASN 695 HB1 ASN 695 -10.490 -14.374 -37.012 347 HD21 ASN 695 HD21 ASN 695 -11.075 -14.576 -34.028 348 HD22 ASN 695 HD22 ASN 695 -11.145 -12.943 -33.522 349 H LEU 696 HN LEU 696 -10.285 -16.695 -33.343 350 HA LEU 696 HA LEU 696 -8.145 -15.757 -31.696 351 HB2 LEU 696 HB2 LEU 696 -10.470 -16.345 -30.938 352 HB3 LEU 696 HB1 LEU 696 -10.106 -18.030 -31.208 353 HG LEU 696 HG LEU 696 -8.659 -16.338 -29.136 354 HD11 LEU 696 HD11 LEU 696 -10.165 -17.317 -27.448 355 HD12 LEU 696 HD12 LEU 696 -11.094 -18.113 -28.722 356 HD13 LEU 696 HD13 LEU 696 -11.057 -16.350 -28.619 357 HD21 LEU 696 HD21 LEU 696 -8.886 -19.360 -29.419 358 HD22 LEU 696 HD22 LEU 696 -8.096 -18.517 -28.085 359 HD23 LEU 696 HD23 LEU 696 -7.440 -18.393 -29.714 360 H LYS 697 HN LYS 697 -8.894 -18.822 -33.324 361 HA LYS 697 HA LYS 697 -6.670 -20.341 -32.501 362 HB2 LYS 697 HB2 LYS 697 -8.581 -20.537 -34.812 363 HB3 LYS 697 HB1 LYS 697 -7.121 -21.506 -34.891 364 HG2 LYS 697 HG2 LYS 697 -8.802 -22.921 -34.004 365 HG3 LYS 697 HG1 LYS 697 -7.748 -22.500 -32.653 366 HD2 LYS 697 HD2 LYS 697 -9.953 -22.337 -31.777 367 HD3 LYS 697 HD1 LYS 697 -9.464 -20.665 -32.083 368 HE2 LYS 697 HE2 LYS 697 -11.686 -20.824 -32.905 369 HE3 LYS 697 HE1 LYS 697 -10.656 -20.863 -34.331 370 HZ1 LYS 697 HZ1 LYS 697 -11.788 -23.271 -33.048 371 HZ2 LYS 697 HZ2 LYS 697 -10.972 -23.185 -34.530 372 HZ3 LYS 697 HZ3 LYS 697 -12.487 -22.458 -34.355 373 H ILE 698 HN ILE 698 -6.808 -17.708 -34.744 374 HA ILE 698 HA ILE 698 -4.193 -18.394 -35.979 375 HB ILE 698 HB ILE 698 -5.991 -16.101 -36.877 376 HG12 ILE 698 HG12 ILE 698 -6.185 -18.926 -38.030 377 HG13 ILE 698 HG11 ILE 698 -7.346 -18.249 -36.884 378 HG21 ILE 698 HG21 ILE 698 -3.915 -17.739 -38.378 379 HG22 ILE 698 HG22 ILE 698 -3.691 -16.110 -37.739 380 HG23 ILE 698 HG23 ILE 698 -4.842 -16.392 -39.046 381 HD11 ILE 698 HD11 ILE 698 -6.750 -17.208 -39.657 382 HD12 ILE 698 HD12 ILE 698 -7.859 -16.458 -38.502 383 HD13 ILE 698 HD13 ILE 698 -8.195 -18.073 -39.134 384 H LYS 699 HN LYS 699 -5.927 -15.464 -35.140 385 HA LYS 699 HA LYS 699 -3.588 -13.855 -35.032 386 HB2 LYS 699 HB2 LYS 699 -6.555 -13.378 -34.725 387 HB3 LYS 699 HB1 LYS 699 -5.417 -12.058 -34.580 388 HG2 LYS 699 HG2 LYS 699 -4.715 -12.281 -36.854 389 HG3 LYS 699 HG1 LYS 699 -5.524 -13.834 -37.027 390 HD2 LYS 699 HD2 LYS 699 -6.793 -12.055 -38.159 391 HD3 LYS 699 HD1 LYS 699 -7.703 -12.745 -36.817 392 HE2 LYS 699 HE2 LYS 699 -6.989 -10.797 -35.401 393 HE3 LYS 699 HE1 LYS 699 -6.229 -10.109 -36.839 394 HZ1 LYS 699 HZ1 LYS 699 -8.403 -9.174 -36.490 395 HZ2 LYS 699 HZ2 LYS 699 -9.114 -10.710 -36.497 396 HZ3 LYS 699 HZ3 LYS 699 -8.411 -10.096 -37.907 397 HA PRO 700 HA PRO 700 -3.122 -13.290 -30.485 398 HB2 PRO 700 HB2 PRO 700 -2.322 -10.626 -30.541 399 HB3 PRO 700 HB1 PRO 700 -1.236 -11.984 -30.887 400 HG2 PRO 700 HG2 PRO 700 -2.803 -10.264 -32.834 401 HG3 PRO 700 HG1 PRO 700 -1.074 -10.692 -32.867 402 HD2 PRO 700 HD2 PRO 700 -2.808 -12.005 -34.396 403 HD3 PRO 700 HD1 PRO 700 -1.528 -12.915 -33.549 404 H PHE 701 HN PHE 701 -4.166 -12.059 -28.784 405 HA PHE 701 HA PHE 701 -6.577 -10.555 -29.516 406 HB2 PHE 701 HB2 PHE 701 -7.814 -12.102 -27.781 407 HB3 PHE 701 HB1 PHE 701 -7.618 -12.633 -29.442 408 HD1 PHE 701 HD2 PHE 701 -6.273 -13.070 -25.975 409 HD2 PHE 701 HD1 PHE 701 -6.456 -14.652 -29.952 410 HE1 PHE 701 HE2 PHE 701 -5.236 -15.170 -25.202 411 HE2 PHE 701 HE1 PHE 701 -5.419 -16.737 -29.166 412 HZ PHE 701 HZ PHE 701 -4.802 -17.000 -26.796 413 H TYR 702 HN TYR 702 -7.042 -8.957 -28.138 414 HA TYR 702 HA TYR 702 -5.815 -8.848 -25.459 415 HB2 TYR 702 HB2 TYR 702 -5.600 -6.570 -27.487 416 HB3 TYR 702 HB1 TYR 702 -4.972 -6.561 -25.841 417 HD1 TYR 702 HD2 TYR 702 -3.199 -8.456 -25.287 418 HD2 TYR 702 HD1 TYR 702 -4.143 -7.174 -29.252 419 HE1 TYR 702 HE2 TYR 702 -1.084 -9.399 -26.099 420 HE2 TYR 702 HE1 TYR 702 -2.029 -8.131 -30.061 421 HH TYR 702 HH TYR 702 0.146 -8.767 -29.238 422 H CYS 703 HN CYS 703 -6.763 -7.236 -24.076 423 HA CYS 703 HA CYS 703 -9.611 -6.859 -24.421 424 HB2 CYS 703 HB2 CYS 703 -9.621 -6.141 -22.129 425 HB3 CYS 703 HB1 CYS 703 -8.449 -7.448 -22.209 426 HA PRO 704 HA PRO 704 -9.757 -3.047 -26.518 427 HB2 PRO 704 HB2 PRO 704 -11.608 -1.500 -25.069 428 HB3 PRO 704 HB1 PRO 704 -12.023 -2.785 -26.209 429 HG2 PRO 704 HG2 PRO 704 -11.782 -2.918 -23.205 430 HG3 PRO 704 HG1 PRO 704 -13.035 -3.615 -24.258 431 HD2 PRO 704 HD2 PRO 704 -11.099 -5.146 -23.268 432 HD3 PRO 704 HD1 PRO 704 -11.644 -5.376 -24.944 433 H HIS 705 HN HIS 705 -9.323 -2.444 -23.018 434 HA HIS 705 HA HIS 705 -8.442 0.226 -23.189 435 HB2 HIS 705 HB2 HIS 705 -9.144 -0.834 -21.059 436 HB3 HIS 705 HB1 HIS 705 -7.696 -1.835 -21.080 437 HD1 HIS 705 HD1 HIS 705 -6.183 -0.946 -19.308 438 HD2 HIS 705 HD2 HIS 705 -7.994 2.133 -21.423 439 HE1 HIS 705 HE1 HIS 705 -5.217 1.173 -18.371 440 HE2 HIS 705 HE2 HIS 705 -6.174 2.999 -19.807 441 H CYS 706 HN CYS 706 -6.663 -2.801 -23.606 442 HA CYS 706 HA CYS 706 -4.033 -1.693 -23.573 443 HB2 CYS 706 HB2 CYS 706 -5.157 -4.299 -24.585 444 HB3 CYS 706 HB1 CYS 706 -3.483 -3.869 -24.915 445 H LEU 707 HN LEU 707 -6.444 -2.092 -26.100 446 HA LEU 707 HA LEU 707 -4.777 -1.351 -28.304 447 HB2 LEU 707 HB2 LEU 707 -7.792 -1.345 -27.926 448 HB3 LEU 707 HB1 LEU 707 -7.042 -0.792 -29.410 449 HG LEU 707 HG LEU 707 -6.077 -3.064 -29.766 450 HD11 LEU 707 HD11 LEU 707 -7.696 -3.909 -27.346 451 HD12 LEU 707 HD12 LEU 707 -5.935 -3.864 -27.459 452 HD13 LEU 707 HD13 LEU 707 -6.849 -4.991 -28.459 453 HD21 LEU 707 HD21 LEU 707 -8.206 -2.460 -30.838 454 HD22 LEU 707 HD22 LEU 707 -9.098 -3.042 -29.429 455 HD23 LEU 707 HD23 LEU 707 -8.176 -4.173 -30.422 456 H VAL 708 HN VAL 708 -6.872 0.398 -26.053 457 HA VAL 708 HA VAL 708 -6.443 3.013 -27.175 458 HB VAL 708 HB VAL 708 -7.530 2.261 -24.423 459 HG11 VAL 708 HG11 VAL 708 -6.916 4.635 -24.541 460 HG12 VAL 708 HG12 VAL 708 -8.671 4.464 -24.470 461 HG13 VAL 708 HG13 VAL 708 -7.882 4.835 -26.006 462 HG21 VAL 708 HG21 VAL 708 -9.087 2.694 -27.008 463 HG22 VAL 708 HG22 VAL 708 -9.797 2.412 -25.416 464 HG23 VAL 708 HG23 VAL 708 -8.842 1.149 -26.190 465 H ALA 709 HN ALA 709 -4.609 0.963 -25.097 466 HA ALA 709 HA ALA 709 -3.055 3.107 -23.842 467 HB1 ALA 709 HB1 ALA 709 -3.569 1.093 -22.524 468 HB2 ALA 709 HB2 ALA 709 -1.829 1.296 -22.721 469 HB3 ALA 709 HB3 ALA 709 -2.689 0.092 -23.684 470 H MET 710 HN MET 710 -2.795 0.832 -26.510 471 HA MET 710 HA MET 710 -0.016 1.387 -27.066 472 HB2 MET 710 HB2 MET 710 -2.145 -0.130 -28.626 473 HB3 MET 710 HB1 MET 710 -0.511 0.101 -29.238 474 HG2 MET 710 HG2 MET 710 0.389 -1.077 -27.256 475 HG3 MET 710 HG1 MET 710 -1.251 -1.349 -26.673 476 HE1 MET 710 HE1 MET 710 -2.664 -3.897 -29.281 477 HE2 MET 710 HE2 MET 710 -2.884 -2.151 -29.257 478 HE3 MET 710 HE3 MET 710 -2.956 -3.066 -27.750 479 H GLU 711 HN GLU 711 -3.077 2.098 -28.773 480 HA GLU 711 HA GLU 711 -3.851 3.787 -30.013 481 HB2 GLU 711 HB2 GLU 711 -1.588 5.386 -28.756 482 HB3 GLU 711 HB1 GLU 711 -2.866 6.099 -29.742 483 HG2 GLU 711 HG2 GLU 711 -4.548 5.326 -28.107 484 HG3 GLU 711 HG1 GLU 711 -3.266 4.628 -27.115 485 HA PRO 712 HA PRO 712 -1.384 3.684 -33.803 486 HB2 PRO 712 HB2 PRO 712 -3.080 4.966 -35.480 487 HB3 PRO 712 HB1 PRO 712 -3.405 3.329 -34.897 488 HG2 PRO 712 HG2 PRO 712 -4.562 5.945 -33.966 489 HG3 PRO 712 HG1 PRO 712 -5.380 4.387 -34.212 490 HD2 PRO 712 HD2 PRO 712 -4.544 5.331 -31.745 491 HD3 PRO 712 HD1 PRO 712 -4.773 3.612 -32.122 492 H VAL 713 HN VAL 713 0.372 4.921 -33.608 493 HA VAL 713 HA VAL 713 0.387 7.651 -32.769 494 HB VAL 713 HB VAL 713 2.861 7.555 -33.057 495 HG11 VAL 713 HG11 VAL 713 1.887 6.743 -30.954 496 HG12 VAL 713 HG12 VAL 713 3.312 5.787 -31.365 497 HG13 VAL 713 HG13 VAL 713 1.698 5.125 -31.635 498 HG21 VAL 713 HG21 VAL 713 3.981 5.455 -33.782 499 HG22 VAL 713 HG22 VAL 713 3.008 6.139 -35.084 500 HG23 VAL 713 HG23 VAL 713 2.410 4.749 -34.175 501 H SER 714 HN SER 714 0.720 9.500 -33.899 502 HA SER 714 HA SER 714 0.233 9.509 -36.753 503 HB2 SER 714 HB2 SER 714 -0.834 11.171 -35.209 504 HB3 SER 714 HB1 SER 714 0.755 11.857 -34.873 505 HG SER 714 HG SER 714 -0.363 11.674 -37.481 506 H THR 715 HN THR 715 1.986 8.723 -37.789 507 HA THR 715 HA THR 715 4.462 10.320 -37.816 508 HB THR 715 HB THR 715 4.425 7.256 -37.749 509 HG1 THR 715 HG1 THR 715 4.698 9.178 -35.742 510 HG21 THR 715 HG21 THR 715 6.886 7.426 -37.560 511 HG22 THR 715 HG22 THR 715 6.788 9.184 -37.673 512 HG23 THR 715 HG23 THR 715 6.333 8.186 -39.055 513 H ARG 716 HN ARG 716 4.998 10.793 -39.918 514 HA ARG 716 HA ARG 716 3.362 9.963 -42.091 515 HB2 ARG 716 HB2 ARG 716 5.989 11.485 -42.034 516 HB3 ARG 716 HB1 ARG 716 5.070 11.190 -43.514 517 HG2 ARG 716 HG2 ARG 716 4.034 12.682 -41.083 518 HG3 ARG 716 HG1 ARG 716 4.677 13.450 -42.542 519 HD2 ARG 716 HD2 ARG 716 2.192 11.702 -42.344 520 HD3 ARG 716 HD1 ARG 716 2.228 13.450 -42.585 521 HE ARG 716 HE ARG 716 3.682 12.372 -44.675 522 HH11 ARG 716 HH11 ARG 716 0.353 12.166 -43.576 523 HH12 ARG 716 HH12 ARG 716 -0.260 11.808 -45.156 524 HH21 ARG 716 HH21 ARG 716 2.837 11.888 -46.722 525 HH22 ARG 716 HH22 ARG 716 1.132 11.649 -46.915 Start of MODEL 15 1 H PHE 652 HT1 PHE 652 -12.011 3.485 -5.290 2 HA PHE 652 HA PHE 652 -11.439 1.664 -3.027 3 HB2 PHE 652 HB2 PHE 652 -12.280 1.009 -5.889 4 HB3 PHE 652 HB1 PHE 652 -11.993 -0.150 -4.598 5 HD1 PHE 652 HD1 PHE 652 -13.574 -0.137 -2.573 6 HD2 PHE 652 HD2 PHE 652 -14.442 1.965 -6.196 7 HE1 PHE 652 HE1 PHE 652 -15.956 -0.053 -1.959 8 HE2 PHE 652 HE2 PHE 652 -16.824 2.041 -5.573 9 HZ PHE 652 HZ PHE 652 -17.582 1.032 -3.456 10 H ASN 653 HN ASN 653 -9.232 1.834 -2.791 11 HA ASN 653 HA ASN 653 -7.440 2.317 -5.014 12 HB2 ASN 653 HB2 ASN 653 -6.821 1.622 -2.104 13 HB3 ASN 653 HB1 ASN 653 -5.630 2.118 -3.299 14 HD21 ASN 653 HD21 ASN 653 -7.354 4.204 -4.493 15 HD22 ASN 653 HD22 ASN 653 -7.396 5.486 -3.343 16 H THR 654 HN THR 654 -7.912 0.557 -6.370 17 HA THR 654 HA THR 654 -7.671 -2.187 -5.541 18 HB THR 654 HB THR 654 -7.865 -2.655 -8.051 19 HG1 THR 654 HG1 THR 654 -7.022 -0.575 -8.712 20 HG21 THR 654 HG21 THR 654 -10.042 -0.903 -6.842 21 HG22 THR 654 HG22 THR 654 -9.871 -2.644 -6.599 22 HG23 THR 654 HG23 THR 654 -10.235 -2.010 -8.204 23 H SER 655 HN SER 655 -5.576 -2.166 -4.627 24 HA SER 655 HA SER 655 -3.186 -1.686 -6.164 25 HB2 SER 655 HB2 SER 655 -3.529 -3.215 -3.540 26 HB3 SER 655 HB1 SER 655 -2.021 -2.547 -4.176 27 HG SER 655 HG SER 655 -4.319 -1.094 -3.313 28 H ASP 656 HN ASP 656 -5.300 -4.377 -5.541 29 HA ASP 656 HA ASP 656 -3.625 -6.390 -6.816 30 HB2 ASP 656 HB2 ASP 656 -6.540 -6.544 -5.927 31 HB3 ASP 656 HB1 ASP 656 -5.543 -7.906 -6.434 32 H TYR 657 HN TYR 657 -4.568 -7.682 -8.588 33 HA TYR 657 HA TYR 657 -5.775 -5.957 -10.665 34 HB2 TYR 657 HB2 TYR 657 -4.243 -8.582 -11.024 35 HB3 TYR 657 HB1 TYR 657 -4.758 -7.480 -12.297 36 HD1 TYR 657 HD2 TYR 657 -2.391 -7.950 -9.497 37 HD2 TYR 657 HD1 TYR 657 -3.435 -5.488 -12.829 38 HE1 TYR 657 HE2 TYR 657 -0.240 -6.784 -9.313 39 HE2 TYR 657 HE1 TYR 657 -1.277 -4.321 -12.640 40 HH TYR 657 HH TYR 657 1.270 -5.502 -10.709 41 H ARG 658 HN ARG 658 -7.938 -6.242 -10.600 42 HA ARG 658 HA ARG 658 -9.178 -8.839 -10.101 43 HB2 ARG 658 HB2 ARG 658 -10.282 -6.038 -10.586 44 HB3 ARG 658 HB1 ARG 658 -11.335 -7.443 -10.566 45 HG2 ARG 658 HG2 ARG 658 -11.387 -6.264 -8.416 46 HG3 ARG 658 HG1 ARG 658 -10.755 -7.895 -8.224 47 HD2 ARG 658 HD2 ARG 658 -8.466 -7.016 -8.055 48 HD3 ARG 658 HD1 ARG 658 -9.050 -5.383 -8.370 49 HE ARG 658 HE ARG 658 -9.939 -5.262 -6.214 50 HH11 ARG 658 HH11 ARG 658 -8.546 -8.458 -6.683 51 HH12 ARG 658 HH12 ARG 658 -8.428 -8.769 -4.984 52 HH21 ARG 658 HH21 ARG 658 -9.762 -5.699 -4.004 53 HH22 ARG 658 HH22 ARG 658 -9.126 -7.222 -3.469 54 H PHE 659 HN PHE 659 -7.944 -9.719 -11.965 55 HA PHE 659 HA PHE 659 -8.534 -8.811 -14.624 56 HB2 PHE 659 HB2 PHE 659 -7.147 -10.895 -15.305 57 HB3 PHE 659 HB1 PHE 659 -6.338 -9.572 -14.488 58 HD1 PHE 659 HD2 PHE 659 -7.671 -13.023 -13.994 59 HD2 PHE 659 HD1 PHE 659 -5.187 -9.925 -12.418 60 HE1 PHE 659 HE2 PHE 659 -6.759 -14.591 -12.340 61 HE2 PHE 659 HE1 PHE 659 -4.277 -11.506 -10.766 62 HZ PHE 659 HZ PHE 659 -5.065 -13.836 -10.726 63 H GLU 660 HN GLU 660 -10.600 -9.025 -15.136 64 HA GLU 660 HA GLU 660 -11.571 -11.583 -15.984 65 HB2 GLU 660 HB2 GLU 660 -12.173 -11.360 -13.437 66 HB3 GLU 660 HB1 GLU 660 -13.354 -10.161 -13.955 67 HG2 GLU 660 HG2 GLU 660 -14.339 -11.927 -15.470 68 HG3 GLU 660 HG1 GLU 660 -13.241 -13.091 -14.738 69 H CYS 661 HN CYS 661 -13.820 -11.280 -17.052 70 HA CYS 661 HA CYS 661 -13.619 -9.121 -18.867 71 HB2 CYS 661 HB2 CYS 661 -14.578 -11.283 -19.525 72 HB3 CYS 661 HB1 CYS 661 -15.959 -10.995 -18.469 73 H ILE 662 HN ILE 662 -14.889 -7.394 -19.229 74 HA ILE 662 HA ILE 662 -15.607 -5.729 -17.161 75 HB ILE 662 HB ILE 662 -16.736 -4.332 -18.970 76 HG12 ILE 662 HG12 ILE 662 -15.908 -6.666 -20.779 77 HG13 ILE 662 HG11 ILE 662 -17.567 -6.237 -20.383 78 HG21 ILE 662 HG21 ILE 662 -14.332 -4.077 -18.470 79 HG22 ILE 662 HG22 ILE 662 -14.641 -3.843 -20.190 80 HG23 ILE 662 HG23 ILE 662 -13.941 -5.359 -19.623 81 HD11 ILE 662 HD11 ILE 662 -15.625 -4.563 -21.967 82 HD12 ILE 662 HD12 ILE 662 -17.285 -4.108 -21.564 83 HD13 ILE 662 HD13 ILE 662 -16.975 -5.501 -22.600 84 H CYS 663 HN CYS 663 -17.675 -8.177 -18.626 85 HA CYS 663 HA CYS 663 -20.164 -6.915 -17.751 86 HB2 CYS 663 HB2 CYS 663 -21.326 -8.739 -18.878 87 HB3 CYS 663 HB1 CYS 663 -20.077 -8.100 -19.941 88 H GLY 664 HN GLY 664 -17.979 -9.374 -16.548 89 HA2 GLY 664 HA2 GLY 664 -18.032 -10.703 -14.652 90 HA3 GLY 664 HA1 GLY 664 -19.440 -9.796 -14.109 91 H GLU 665 HN GLU 665 -18.446 -12.321 -16.383 92 HA GLU 665 HA GLU 665 -20.781 -13.992 -15.955 93 HB2 GLU 665 HB2 GLU 665 -21.209 -12.122 -17.779 94 HB3 GLU 665 HB1 GLU 665 -20.120 -13.052 -18.788 95 HG2 GLU 665 HG2 GLU 665 -22.697 -14.119 -17.613 96 HG3 GLU 665 HG1 GLU 665 -22.569 -13.377 -19.196 97 H LEU 666 HN LEU 666 -20.393 -16.169 -16.960 98 HA LEU 666 HA LEU 666 -17.855 -17.214 -16.467 99 HB2 LEU 666 HB2 LEU 666 -20.090 -18.383 -18.164 100 HB3 LEU 666 HB1 LEU 666 -18.631 -19.269 -17.731 101 HG LEU 666 HG LEU 666 -20.731 -18.245 -15.778 102 HD11 LEU 666 HD11 LEU 666 -21.534 -20.134 -17.132 103 HD12 LEU 666 HD12 LEU 666 -21.299 -20.609 -15.452 104 HD13 LEU 666 HD13 LEU 666 -20.114 -21.081 -16.673 105 HD21 LEU 666 HD21 LEU 666 -19.496 -19.527 -14.056 106 HD22 LEU 666 HD22 LEU 666 -18.510 -18.230 -14.722 107 HD23 LEU 666 HD23 LEU 666 -18.230 -19.896 -15.233 108 H ASP 667 HN ASP 667 -16.043 -16.744 -17.533 109 HA ASP 667 HA ASP 667 -15.980 -16.207 -20.406 110 HB2 ASP 667 HB2 ASP 667 -13.856 -16.013 -18.232 111 HB3 ASP 667 HB1 ASP 667 -13.489 -15.771 -19.935 112 H GLN 668 HN GLN 668 -16.752 -18.457 -20.664 113 HA GLN 668 HA GLN 668 -14.458 -20.251 -21.194 114 HB2 GLN 668 HB2 GLN 668 -16.007 -22.183 -20.739 115 HB3 GLN 668 HB1 GLN 668 -15.572 -21.247 -19.313 116 HG2 GLN 668 HG2 GLN 668 -17.802 -20.031 -19.550 117 HG3 GLN 668 HG1 GLN 668 -18.227 -21.207 -20.793 118 HE21 GLN 668 HE21 GLN 668 -16.443 -21.933 -17.823 119 HE22 GLN 668 HE22 GLN 668 -17.668 -22.915 -17.107 120 H ILE 669 HN ILE 669 -14.435 -21.121 -23.176 121 HA ILE 669 HA ILE 669 -15.876 -19.734 -25.235 122 HB ILE 669 HB ILE 669 -13.994 -22.124 -25.558 123 HG12 ILE 669 HG12 ILE 669 -13.334 -19.137 -25.650 124 HG13 ILE 669 HG11 ILE 669 -12.893 -20.236 -24.347 125 HG21 ILE 669 HG21 ILE 669 -13.651 -21.303 -27.876 126 HG22 ILE 669 HG22 ILE 669 -14.833 -20.022 -27.603 127 HG23 ILE 669 HG23 ILE 669 -15.341 -21.712 -27.587 128 HD11 ILE 669 HD11 ILE 669 -11.011 -19.766 -25.792 129 HD12 ILE 669 HD12 ILE 669 -11.894 -20.368 -27.192 130 HD13 ILE 669 HD13 ILE 669 -11.443 -21.472 -25.889 131 H ASP 670 HN ASP 670 -16.156 -22.815 -23.683 132 HA ASP 670 HA ASP 670 -17.722 -24.334 -25.411 133 HB2 ASP 670 HB2 ASP 670 -17.930 -24.284 -22.368 134 HB3 ASP 670 HB1 ASP 670 -18.396 -25.613 -23.423 135 H ARG 671 HN ARG 671 -18.627 -21.710 -23.256 136 HA ARG 671 HA ARG 671 -21.465 -21.921 -24.056 137 HB2 ARG 671 HB2 ARG 671 -20.187 -21.239 -21.539 138 HB3 ARG 671 HB1 ARG 671 -21.097 -19.842 -22.088 139 HG2 ARG 671 HG2 ARG 671 -22.490 -21.188 -20.634 140 HG3 ARG 671 HG1 ARG 671 -23.132 -21.257 -22.277 141 HD2 ARG 671 HD2 ARG 671 -23.216 -23.470 -21.298 142 HD3 ARG 671 HD1 ARG 671 -22.007 -23.469 -22.589 143 HE ARG 671 HE ARG 671 -21.090 -23.018 -19.835 144 HH11 ARG 671 HH11 ARG 671 -21.283 -25.237 -22.555 145 HH12 ARG 671 HH12 ARG 671 -20.116 -26.335 -21.884 146 HH21 ARG 671 HH21 ARG 671 -19.598 -24.457 -18.970 147 HH22 ARG 671 HH22 ARG 671 -19.168 -25.898 -19.839 148 H LYS 672 HN LYS 672 -19.130 -19.268 -23.390 149 HA LYS 672 HA LYS 672 -20.003 -17.904 -25.874 150 HB2 LYS 672 HB2 LYS 672 -19.332 -16.569 -23.219 151 HB3 LYS 672 HB1 LYS 672 -19.683 -15.729 -24.728 152 HG2 LYS 672 HG2 LYS 672 -21.615 -17.484 -23.170 153 HG3 LYS 672 HG1 LYS 672 -21.603 -15.720 -23.172 154 HD2 LYS 672 HD2 LYS 672 -22.105 -17.453 -25.631 155 HD3 LYS 672 HD1 LYS 672 -23.373 -16.726 -24.640 156 HE2 LYS 672 HE2 LYS 672 -21.246 -15.189 -26.176 157 HE3 LYS 672 HE1 LYS 672 -22.924 -15.398 -26.677 158 HZ1 LYS 672 HZ1 LYS 672 -22.017 -14.006 -24.212 159 HZ2 LYS 672 HZ2 LYS 672 -23.623 -14.216 -24.691 160 HZ3 LYS 672 HZ3 LYS 672 -22.583 -13.262 -25.622 161 HA PRO 673 HA PRO 673 -15.560 -18.183 -26.891 162 HB2 PRO 673 HB2 PRO 673 -16.391 -15.826 -28.597 163 HB3 PRO 673 HB1 PRO 673 -15.382 -17.217 -29.028 164 HG2 PRO 673 HG2 PRO 673 -17.938 -17.107 -29.804 165 HG3 PRO 673 HG1 PRO 673 -17.221 -18.641 -29.270 166 HD2 PRO 673 HD2 PRO 673 -19.128 -16.822 -27.827 167 HD3 PRO 673 HD1 PRO 673 -19.001 -18.590 -27.762 168 H ARG 674 HN ARG 674 -13.840 -17.245 -25.917 169 HA ARG 674 HA ARG 674 -14.052 -14.529 -24.800 170 HB2 ARG 674 HB2 ARG 674 -13.217 -15.317 -22.623 171 HB3 ARG 674 HB1 ARG 674 -14.749 -16.064 -23.033 172 HG2 ARG 674 HG2 ARG 674 -13.656 -17.913 -22.221 173 HG3 ARG 674 HG1 ARG 674 -13.182 -18.041 -23.908 174 HD2 ARG 674 HD2 ARG 674 -11.051 -16.814 -23.305 175 HD3 ARG 674 HD1 ARG 674 -11.539 -16.935 -21.612 176 HE ARG 674 HE ARG 674 -10.862 -19.202 -23.394 177 HH11 ARG 674 HH11 ARG 674 -11.329 -18.012 -20.118 178 HH12 ARG 674 HH12 ARG 674 -10.480 -19.337 -19.396 179 HH21 ARG 674 HH21 ARG 674 -9.744 -20.927 -22.427 180 HH22 ARG 674 HH22 ARG 674 -9.606 -20.995 -20.698 181 H VAL 675 HN VAL 675 -12.204 -13.357 -24.788 182 HA VAL 675 HA VAL 675 -9.789 -14.532 -26.000 183 HB VAL 675 HB VAL 675 -9.026 -12.188 -26.338 184 HG11 VAL 675 HG11 VAL 675 -11.798 -12.727 -27.446 185 HG12 VAL 675 HG12 VAL 675 -10.269 -13.293 -28.120 186 HG13 VAL 675 HG13 VAL 675 -10.637 -11.569 -28.098 187 HG21 VAL 675 HG21 VAL 675 -11.733 -11.341 -25.217 188 HG22 VAL 675 HG22 VAL 675 -10.555 -10.269 -25.981 189 HG23 VAL 675 HG23 VAL 675 -10.167 -11.065 -24.455 190 H GLN 676 HN GLN 676 -7.786 -14.290 -25.028 191 HA GLN 676 HA GLN 676 -7.699 -13.479 -22.185 192 HB2 GLN 676 HB2 GLN 676 -5.556 -14.892 -23.851 193 HB3 GLN 676 HB1 GLN 676 -5.535 -14.645 -22.109 194 HG2 GLN 676 HG2 GLN 676 -7.529 -16.379 -23.609 195 HG3 GLN 676 HG1 GLN 676 -6.105 -16.968 -22.752 196 HE21 GLN 676 HE21 GLN 676 -9.293 -15.516 -22.360 197 HE22 GLN 676 HE22 GLN 676 -9.481 -15.944 -20.702 198 H CYS 677 HN CYS 677 -5.641 -12.130 -21.630 199 HA CYS 677 HA CYS 677 -4.472 -10.712 -23.933 200 HB2 CYS 677 HB2 CYS 677 -6.213 -9.213 -23.019 201 HB3 CYS 677 HB1 CYS 677 -5.489 -9.332 -21.420 202 H LEU 678 HN LEU 678 -2.656 -11.889 -23.726 203 HA LEU 678 HA LEU 678 -1.176 -12.603 -21.513 204 HB2 LEU 678 HB2 LEU 678 0.773 -12.737 -23.080 205 HB3 LEU 678 HB1 LEU 678 -0.660 -13.552 -23.664 206 HG LEU 678 HG LEU 678 -0.242 -10.732 -24.624 207 HD11 LEU 678 HD11 LEU 678 1.297 -11.400 -26.423 208 HD12 LEU 678 HD12 LEU 678 1.421 -13.022 -25.737 209 HD13 LEU 678 HD13 LEU 678 2.040 -11.632 -24.842 210 HD21 LEU 678 HD21 LEU 678 -2.213 -11.919 -25.400 211 HD22 LEU 678 HD22 LEU 678 -1.224 -13.247 -26.008 212 HD23 LEU 678 HD23 LEU 678 -1.118 -11.650 -26.752 213 H LYS 679 HN LYS 679 -1.211 -9.554 -23.242 214 HA LYS 679 HA LYS 679 1.141 -8.345 -22.494 215 HB2 LYS 679 HB2 LYS 679 -0.353 -7.499 -24.241 216 HB3 LYS 679 HB1 LYS 679 -1.575 -7.089 -23.046 217 HG2 LYS 679 HG2 LYS 679 -0.262 -5.289 -22.166 218 HG3 LYS 679 HG1 LYS 679 1.178 -5.813 -23.042 219 HD2 LYS 679 HD2 LYS 679 -1.368 -4.733 -24.335 220 HD3 LYS 679 HD1 LYS 679 0.109 -3.803 -24.072 221 HE2 LYS 679 HE2 LYS 679 -0.211 -6.231 -25.868 222 HE3 LYS 679 HE1 LYS 679 0.025 -4.563 -26.384 223 HZ1 LYS 679 HZ1 LYS 679 2.218 -4.634 -25.266 224 HZ2 LYS 679 HZ2 LYS 679 2.088 -5.736 -26.537 225 HZ3 LYS 679 HZ3 LYS 679 1.983 -6.276 -24.940 226 H CYS 680 HN CYS 680 -1.969 -8.274 -20.710 227 HA CYS 680 HA CYS 680 -0.578 -7.131 -18.351 228 HB2 CYS 680 HB2 CYS 680 -2.383 -5.593 -17.916 229 HB3 CYS 680 HB1 CYS 680 -1.926 -5.373 -19.603 230 H HIS 681 HN HIS 681 -1.815 -9.817 -19.382 231 HA HIS 681 HA HIS 681 -2.830 -11.674 -18.606 232 HB2 HIS 681 HB2 HIS 681 -2.094 -10.503 -15.892 233 HB3 HIS 681 HB1 HIS 681 -2.491 -12.192 -16.200 234 HD1 HIS 681 HD1 HIS 681 0.328 -9.933 -16.024 235 HD2 HIS 681 HD2 HIS 681 -0.535 -13.439 -18.084 236 HE1 HIS 681 HE1 HIS 681 2.541 -10.798 -16.839 237 HE2 HIS 681 HE2 HIS 681 2.009 -12.983 -17.964 238 H LEU 682 HN LEU 682 -4.619 -9.670 -19.277 239 HA LEU 682 HA LEU 682 -6.798 -9.682 -17.260 240 HB2 LEU 682 HB2 LEU 682 -5.889 -7.488 -18.276 241 HB3 LEU 682 HB1 LEU 682 -6.591 -7.989 -19.797 242 HG LEU 682 HG LEU 682 -7.928 -6.269 -18.575 243 HD11 LEU 682 HD11 LEU 682 -9.455 -8.854 -18.895 244 HD12 LEU 682 HD12 LEU 682 -9.089 -7.696 -20.172 245 HD13 LEU 682 HD13 LEU 682 -10.140 -7.226 -18.840 246 HD21 LEU 682 HD21 LEU 682 -7.448 -6.948 -16.285 247 HD22 LEU 682 HD22 LEU 682 -8.416 -8.409 -16.500 248 HD23 LEU 682 HD23 LEU 682 -9.182 -6.822 -16.564 249 H TRP 683 HN TRP 683 -8.565 -10.935 -17.673 250 HA TRP 683 HA TRP 683 -8.752 -12.336 -20.278 251 HB2 TRP 683 HB2 TRP 683 -10.301 -13.142 -17.790 252 HB3 TRP 683 HB1 TRP 683 -9.786 -14.142 -19.145 253 HD1 TRP 683 HD1 TRP 683 -9.130 -14.096 -15.720 254 HE1 TRP 683 HE1 TRP 683 -6.731 -14.728 -15.070 255 HE3 TRP 683 HE3 TRP 683 -6.803 -13.458 -20.259 256 HZ2 TRP 683 HZ2 TRP 683 -4.213 -14.914 -16.269 257 HZ3 TRP 683 HZ3 TRP 683 -4.387 -13.879 -20.407 258 HH2 TRP 683 HH2 TRP 683 -3.113 -14.595 -18.445 259 H GLN 684 HN GLN 684 -10.607 -12.141 -21.549 260 HA GLN 684 HA GLN 684 -12.994 -10.819 -20.511 261 HB2 GLN 684 HB2 GLN 684 -11.133 -9.208 -21.683 262 HB3 GLN 684 HB1 GLN 684 -11.994 -9.708 -23.127 263 HG2 GLN 684 HG2 GLN 684 -13.671 -8.250 -22.707 264 HG3 GLN 684 HG1 GLN 684 -13.924 -8.912 -21.097 265 HE21 GLN 684 HE21 GLN 684 -12.436 -8.102 -19.391 266 HE22 GLN 684 HE22 GLN 684 -11.950 -6.460 -19.458 267 H HIS 685 HN HIS 685 -14.818 -10.844 -22.198 268 HA HIS 685 HA HIS 685 -14.808 -13.301 -23.758 269 HB2 HIS 685 HB2 HIS 685 -16.959 -11.214 -23.317 270 HB3 HIS 685 HB1 HIS 685 -17.156 -12.513 -24.485 271 HD2 HIS 685 HD2 HIS 685 -16.926 -15.181 -23.176 272 HE1 HIS 685 HE1 HIS 685 -18.669 -13.548 -19.679 273 HE2 HIS 685 HE2 HIS 685 -18.355 -15.638 -21.065 274 H ALA 686 HN ALA 686 -14.862 -13.448 -25.945 275 HA ALA 686 HA ALA 686 -13.688 -11.464 -27.588 276 HB1 ALA 686 HB1 ALA 686 -15.224 -13.978 -28.350 277 HB2 ALA 686 HB2 ALA 686 -13.495 -13.889 -28.012 278 HB3 ALA 686 HB3 ALA 686 -14.161 -13.054 -29.414 279 H LYS 687 HN LYS 687 -17.031 -12.611 -27.138 280 HA LYS 687 HA LYS 687 -18.165 -10.722 -29.032 281 HB2 LYS 687 HB2 LYS 687 -19.245 -12.992 -27.368 282 HB3 LYS 687 HB1 LYS 687 -20.377 -11.797 -27.973 283 HG2 LYS 687 HG2 LYS 687 -20.365 -13.618 -29.535 284 HG3 LYS 687 HG1 LYS 687 -19.565 -12.250 -30.301 285 HD2 LYS 687 HD2 LYS 687 -17.347 -13.288 -29.735 286 HD3 LYS 687 HD1 LYS 687 -18.210 -14.692 -29.094 287 HE2 LYS 687 HE2 LYS 687 -18.246 -13.699 -31.964 288 HE3 LYS 687 HE1 LYS 687 -17.420 -15.133 -31.361 289 HZ1 LYS 687 HZ1 LYS 687 -20.360 -14.711 -31.408 290 HZ2 LYS 687 HZ2 LYS 687 -19.580 -16.076 -30.789 291 HZ3 LYS 687 HZ3 LYS 687 -19.477 -15.720 -32.440 292 H CYS 688 HN CYS 688 -16.991 -10.118 -26.077 293 HA CYS 688 HA CYS 688 -18.999 -8.016 -25.482 294 HB2 CYS 688 HB2 CYS 688 -16.695 -9.087 -23.806 295 HB3 CYS 688 HB1 CYS 688 -17.621 -7.648 -23.374 296 H VAL 689 HN VAL 689 -16.187 -8.455 -27.275 297 HA VAL 689 HA VAL 689 -15.294 -5.638 -26.968 298 HB VAL 689 HB VAL 689 -12.952 -6.275 -27.088 299 HG11 VAL 689 HG11 VAL 689 -12.666 -7.526 -24.964 300 HG12 VAL 689 HG12 VAL 689 -14.366 -7.999 -25.018 301 HG13 VAL 689 HG13 VAL 689 -13.929 -6.299 -24.837 302 HG21 VAL 689 HG21 VAL 689 -12.185 -8.652 -27.137 303 HG22 VAL 689 HG22 VAL 689 -13.075 -8.212 -28.595 304 HG23 VAL 689 HG23 VAL 689 -13.862 -9.172 -27.344 305 H ASN 690 HN ASN 690 -16.803 -7.564 -29.034 306 HA ASN 690 HA ASN 690 -16.943 -8.080 -31.216 307 HB2 ASN 690 HB2 ASN 690 -15.425 -5.464 -31.597 308 HB3 ASN 690 HB1 ASN 690 -16.098 -6.400 -32.930 309 HD21 ASN 690 HD21 ASN 690 -18.372 -6.549 -33.156 310 HD22 ASN 690 HD22 ASN 690 -19.431 -5.417 -32.394 311 H TYR 691 HN TYR 691 -15.801 -9.943 -30.939 312 HA TYR 691 HA TYR 691 -13.590 -10.385 -32.694 313 HB2 TYR 691 HB2 TYR 691 -12.556 -9.470 -30.447 314 HB3 TYR 691 HB1 TYR 691 -13.028 -11.006 -29.745 315 HD1 TYR 691 HD1 TYR 691 -10.701 -9.339 -32.111 316 HD2 TYR 691 HD2 TYR 691 -11.764 -13.056 -30.293 317 HE1 TYR 691 HE1 TYR 691 -8.553 -10.313 -32.816 318 HE2 TYR 691 HE2 TYR 691 -9.620 -14.009 -30.985 319 HH TYR 691 HH TYR 691 -7.046 -12.176 -32.168 320 H ASP 692 HN ASP 692 -13.014 -12.906 -32.391 321 HA ASP 692 HA ASP 692 -15.221 -14.494 -31.302 322 HB2 ASP 692 HB2 ASP 692 -15.487 -15.728 -33.526 323 HB3 ASP 692 HB1 ASP 692 -16.130 -14.086 -33.476 324 H GLU 693 HN GLU 693 -14.815 -16.858 -31.574 325 HA GLU 693 HA GLU 693 -12.171 -17.442 -30.637 326 HB2 GLU 693 HB2 GLU 693 -12.999 -19.701 -30.226 327 HB3 GLU 693 HB1 GLU 693 -14.122 -18.504 -29.620 328 HG2 GLU 693 HG2 GLU 693 -15.646 -19.905 -30.576 329 HG3 GLU 693 HG1 GLU 693 -15.295 -18.926 -31.997 330 H LYS 694 HN LYS 694 -13.696 -17.525 -33.720 331 HA LYS 694 HA LYS 694 -12.443 -19.691 -34.990 332 HB2 LYS 694 HB2 LYS 694 -13.475 -17.093 -36.211 333 HB3 LYS 694 HB1 LYS 694 -12.906 -18.450 -37.169 334 HG2 LYS 694 HG2 LYS 694 -15.274 -18.566 -37.168 335 HG3 LYS 694 HG1 LYS 694 -14.708 -19.864 -36.117 336 HD2 LYS 694 HD2 LYS 694 -15.213 -18.401 -34.136 337 HD3 LYS 694 HD1 LYS 694 -15.881 -17.193 -35.242 338 HE2 LYS 694 HE2 LYS 694 -17.654 -18.580 -34.226 339 HE3 LYS 694 HE1 LYS 694 -17.599 -18.809 -35.974 340 HZ1 LYS 694 HZ1 LYS 694 -17.840 -20.901 -34.790 341 HZ2 LYS 694 HZ2 LYS 694 -16.394 -20.629 -33.957 342 HZ3 LYS 694 HZ3 LYS 694 -16.375 -20.856 -35.633 343 H ASN 695 HN ASN 695 -11.538 -16.233 -35.066 344 HA ASN 695 HA ASN 695 -8.898 -16.860 -36.144 345 HB2 ASN 695 HB2 ASN 695 -8.602 -14.534 -36.524 346 HB3 ASN 695 HB1 ASN 695 -10.269 -14.862 -36.935 347 HD21 ASN 695 HD21 ASN 695 -11.090 -14.843 -34.055 348 HD22 ASN 695 HD22 ASN 695 -11.117 -13.190 -33.613 349 H LEU 696 HN LEU 696 -10.191 -16.831 -33.073 350 HA LEU 696 HA LEU 696 -8.076 -15.710 -31.520 351 HB2 LEU 696 HB2 LEU 696 -10.364 -16.141 -30.653 352 HB3 LEU 696 HB1 LEU 696 -10.096 -17.862 -30.814 353 HG LEU 696 HG LEU 696 -8.201 -17.586 -29.087 354 HD11 LEU 696 HD11 LEU 696 -8.324 -15.653 -27.601 355 HD12 LEU 696 HD12 LEU 696 -9.563 -14.919 -28.620 356 HD13 LEU 696 HD13 LEU 696 -7.927 -15.156 -29.243 357 HD21 LEU 696 HD21 LEU 696 -10.364 -18.637 -28.551 358 HD22 LEU 696 HD22 LEU 696 -11.053 -17.053 -28.185 359 HD23 LEU 696 HD23 LEU 696 -9.749 -17.703 -27.189 360 H LYS 697 HN LYS 697 -8.758 -18.966 -32.784 361 HA LYS 697 HA LYS 697 -6.538 -20.318 -31.627 362 HB2 LYS 697 HB2 LYS 697 -8.359 -20.958 -33.955 363 HB3 LYS 697 HB1 LYS 697 -6.926 -21.939 -33.699 364 HG2 LYS 697 HG2 LYS 697 -8.514 -23.177 -32.554 365 HG3 LYS 697 HG1 LYS 697 -7.853 -22.202 -31.244 366 HD2 LYS 697 HD2 LYS 697 -10.203 -22.127 -30.928 367 HD3 LYS 697 HD1 LYS 697 -9.822 -20.581 -31.694 368 HE2 LYS 697 HE2 LYS 697 -11.788 -21.446 -32.787 369 HE3 LYS 697 HE1 LYS 697 -10.443 -21.638 -33.914 370 HZ1 LYS 697 HZ1 LYS 697 -11.614 -23.761 -32.209 371 HZ2 LYS 697 HZ2 LYS 697 -10.270 -23.957 -33.214 372 HZ3 LYS 697 HZ3 LYS 697 -11.780 -23.608 -33.885 373 H ILE 698 HN ILE 698 -6.578 -17.994 -34.143 374 HA ILE 698 HA ILE 698 -3.984 -18.913 -35.285 375 HB ILE 698 HB ILE 698 -5.736 -16.739 -36.520 376 HG12 ILE 698 HG12 ILE 698 -6.009 -19.689 -37.273 377 HG13 ILE 698 HG11 ILE 698 -7.123 -18.864 -36.181 378 HG21 ILE 698 HG21 ILE 698 -4.605 -17.383 -38.619 379 HG22 ILE 698 HG22 ILE 698 -3.706 -18.638 -37.764 380 HG23 ILE 698 HG23 ILE 698 -3.438 -16.937 -37.373 381 HD11 ILE 698 HD11 ILE 698 -7.655 -17.261 -37.993 382 HD12 ILE 698 HD12 ILE 698 -8.075 -18.936 -38.366 383 HD13 ILE 698 HD13 ILE 698 -6.636 -18.212 -39.084 384 H LYS 699 HN LYS 699 -5.693 -15.885 -34.892 385 HA LYS 699 HA LYS 699 -3.381 -14.238 -34.787 386 HB2 LYS 699 HB2 LYS 699 -6.380 -13.819 -34.710 387 HB3 LYS 699 HB1 LYS 699 -5.298 -12.452 -34.538 388 HG2 LYS 699 HG2 LYS 699 -4.415 -12.733 -36.743 389 HG3 LYS 699 HG1 LYS 699 -5.097 -14.349 -36.890 390 HD2 LYS 699 HD2 LYS 699 -6.382 -12.751 -38.238 391 HD3 LYS 699 HD1 LYS 699 -7.370 -13.397 -36.927 392 HE2 LYS 699 HE2 LYS 699 -6.916 -11.318 -35.615 393 HE3 LYS 699 HE1 LYS 699 -6.015 -10.698 -36.997 394 HZ1 LYS 699 HZ1 LYS 699 -8.896 -11.402 -36.988 395 HZ2 LYS 699 HZ2 LYS 699 -8.037 -10.797 -38.310 396 HZ3 LYS 699 HZ3 LYS 699 -8.259 -9.837 -36.940 397 HA PRO 700 HA PRO 700 -2.844 -13.553 -30.325 398 HB2 PRO 700 HB2 PRO 700 -2.214 -10.832 -30.410 399 HB3 PRO 700 HB1 PRO 700 -1.071 -12.135 -30.751 400 HG2 PRO 700 HG2 PRO 700 -2.739 -10.528 -32.695 401 HG3 PRO 700 HG1 PRO 700 -0.995 -10.891 -32.756 402 HD2 PRO 700 HD2 PRO 700 -2.685 -12.300 -34.233 403 HD3 PRO 700 HD1 PRO 700 -1.391 -13.156 -33.361 404 H PHE 701 HN PHE 701 -3.657 -12.223 -28.562 405 HA PHE 701 HA PHE 701 -6.368 -11.136 -28.959 406 HB2 PHE 701 HB2 PHE 701 -6.876 -12.608 -26.769 407 HB3 PHE 701 HB1 PHE 701 -7.038 -13.286 -28.381 408 HD1 PHE 701 HD2 PHE 701 -4.722 -13.109 -25.446 409 HD2 PHE 701 HD1 PHE 701 -5.730 -15.188 -29.047 410 HE1 PHE 701 HE2 PHE 701 -3.130 -14.895 -24.873 411 HE2 PHE 701 HE1 PHE 701 -4.125 -16.961 -28.465 412 HZ PHE 701 HZ PHE 701 -2.827 -16.816 -26.381 413 H TYR 702 HN TYR 702 -6.511 -9.239 -27.977 414 HA TYR 702 HA TYR 702 -5.114 -8.728 -25.428 415 HB2 TYR 702 HB2 TYR 702 -5.138 -6.737 -27.755 416 HB3 TYR 702 HB1 TYR 702 -4.431 -6.465 -26.164 417 HD1 TYR 702 HD2 TYR 702 -2.414 -7.919 -25.470 418 HD2 TYR 702 HD1 TYR 702 -3.861 -7.777 -29.486 419 HE1 TYR 702 HE2 TYR 702 -0.295 -8.881 -26.265 420 HE2 TYR 702 HE1 TYR 702 -1.749 -8.740 -30.276 421 HH TYR 702 HH TYR 702 0.590 -8.911 -29.558 422 H CYS 703 HN CYS 703 -6.325 -7.605 -23.991 423 HA CYS 703 HA CYS 703 -9.096 -7.215 -24.332 424 HB2 CYS 703 HB2 CYS 703 -9.103 -6.397 -22.083 425 HB3 CYS 703 HB1 CYS 703 -7.822 -7.603 -22.137 426 HA PRO 704 HA PRO 704 -9.440 -3.366 -26.496 427 HB2 PRO 704 HB2 PRO 704 -11.624 -2.152 -25.248 428 HB3 PRO 704 HB1 PRO 704 -11.755 -3.496 -26.389 429 HG2 PRO 704 HG2 PRO 704 -11.691 -3.590 -23.373 430 HG3 PRO 704 HG1 PRO 704 -12.810 -4.404 -24.495 431 HD2 PRO 704 HD2 PRO 704 -10.781 -5.757 -23.444 432 HD3 PRO 704 HD1 PRO 704 -11.186 -5.983 -25.160 433 H HIS 705 HN HIS 705 -9.196 -3.129 -22.973 434 HA HIS 705 HA HIS 705 -8.710 -0.362 -22.752 435 HB2 HIS 705 HB2 HIS 705 -9.189 -1.790 -20.778 436 HB3 HIS 705 HB1 HIS 705 -7.628 -2.583 -20.967 437 HD1 HIS 705 HD1 HIS 705 -8.967 0.953 -20.384 438 HD2 HIS 705 HD2 HIS 705 -5.647 -1.384 -19.473 439 HE1 HIS 705 HE1 HIS 705 -7.544 2.363 -18.862 440 HE2 HIS 705 HE2 HIS 705 -5.591 0.896 -18.262 441 H CYS 706 HN CYS 706 -6.443 -3.085 -23.275 442 HA CYS 706 HA CYS 706 -4.047 -1.563 -23.378 443 HB2 CYS 706 HB2 CYS 706 -4.774 -4.274 -24.520 444 HB3 CYS 706 HB1 CYS 706 -3.200 -3.554 -24.843 445 H LEU 707 HN LEU 707 -6.357 -2.536 -25.895 446 HA LEU 707 HA LEU 707 -4.887 -1.776 -28.168 447 HB2 LEU 707 HB2 LEU 707 -7.903 -1.893 -27.774 448 HB3 LEU 707 HB1 LEU 707 -7.101 -1.802 -29.336 449 HG LEU 707 HG LEU 707 -6.845 -4.119 -27.367 450 HD11 LEU 707 HD11 LEU 707 -9.074 -4.062 -28.367 451 HD12 LEU 707 HD12 LEU 707 -8.148 -5.424 -28.991 452 HD13 LEU 707 HD13 LEU 707 -8.371 -3.983 -29.987 453 HD21 LEU 707 HD21 LEU 707 -5.705 -3.824 -30.171 454 HD22 LEU 707 HD22 LEU 707 -5.664 -5.297 -29.197 455 HD23 LEU 707 HD23 LEU 707 -4.787 -3.867 -28.662 456 H VAL 708 HN VAL 708 -7.407 -0.024 -26.396 457 HA VAL 708 HA VAL 708 -7.247 2.416 -27.852 458 HB VAL 708 HB VAL 708 -8.476 1.820 -25.116 459 HG11 VAL 708 HG11 VAL 708 -8.912 4.249 -26.904 460 HG12 VAL 708 HG12 VAL 708 -8.089 4.240 -25.344 461 HG13 VAL 708 HG13 VAL 708 -9.812 3.888 -25.427 462 HG21 VAL 708 HG21 VAL 708 -10.629 1.695 -26.344 463 HG22 VAL 708 HG22 VAL 708 -9.486 0.485 -26.926 464 HG23 VAL 708 HG23 VAL 708 -9.776 1.945 -27.871 465 H ALA 709 HN ALA 709 -5.659 1.214 -24.918 466 HA ALA 709 HA ALA 709 -4.530 3.688 -24.052 467 HB1 ALA 709 HB1 ALA 709 -3.070 2.334 -22.614 468 HB2 ALA 709 HB2 ALA 709 -3.546 0.871 -23.479 469 HB3 ALA 709 HB3 ALA 709 -4.738 1.760 -22.532 470 H MET 710 HN MET 710 -3.534 1.301 -26.441 471 HA MET 710 HA MET 710 -0.875 2.478 -26.756 472 HB2 MET 710 HB2 MET 710 -2.252 0.182 -28.211 473 HB3 MET 710 HB1 MET 710 -0.612 0.719 -28.559 474 HG2 MET 710 HG2 MET 710 0.068 0.133 -26.259 475 HG3 MET 710 HG1 MET 710 -1.573 -0.403 -25.903 476 HE1 MET 710 HE1 MET 710 -1.884 -3.563 -28.276 477 HE2 MET 710 HE2 MET 710 -2.334 -1.914 -28.703 478 HE3 MET 710 HE3 MET 710 -2.724 -2.548 -27.103 479 H GLU 711 HN GLU 711 -3.274 1.628 -29.312 480 HA GLU 711 HA GLU 711 -3.859 2.585 -31.276 481 HB2 GLU 711 HB2 GLU 711 -3.852 5.062 -29.519 482 HB3 GLU 711 HB1 GLU 711 -4.482 5.056 -31.163 483 HG2 GLU 711 HG2 GLU 711 -5.512 3.379 -28.861 484 HG3 GLU 711 HG1 GLU 711 -6.267 4.841 -29.493 485 HA PRO 712 HA PRO 712 -0.331 4.487 -33.516 486 HB2 PRO 712 HB2 PRO 712 -1.648 5.733 -35.602 487 HB3 PRO 712 HB1 PRO 712 -1.368 3.988 -35.552 488 HG2 PRO 712 HG2 PRO 712 -3.846 5.533 -34.795 489 HG3 PRO 712 HG1 PRO 712 -3.709 4.053 -35.769 490 HD2 PRO 712 HD2 PRO 712 -4.425 3.982 -33.156 491 HD3 PRO 712 HD1 PRO 712 -3.442 2.688 -33.883 492 H VAL 713 HN VAL 713 0.739 6.422 -33.163 493 HA VAL 713 HA VAL 713 -0.496 8.468 -31.588 494 HB VAL 713 HB VAL 713 1.683 9.663 -31.679 495 HG11 VAL 713 HG11 VAL 713 1.990 6.682 -31.135 496 HG12 VAL 713 HG12 VAL 713 1.373 7.885 -30.003 497 HG13 VAL 713 HG13 VAL 713 3.055 7.955 -30.526 498 HG21 VAL 713 HG21 VAL 713 2.356 9.160 -34.004 499 HG22 VAL 713 HG22 VAL 713 2.588 7.461 -33.587 500 HG23 VAL 713 HG23 VAL 713 3.631 8.695 -32.876 501 H SER 714 HN SER 714 -1.120 10.524 -32.117 502 HA SER 714 HA SER 714 -2.088 10.992 -34.754 503 HB2 SER 714 HB2 SER 714 -3.289 11.809 -32.749 504 HB3 SER 714 HB1 SER 714 -1.948 12.887 -32.364 505 HG SER 714 HG SER 714 -2.718 14.266 -33.737 506 H THR 715 HN THR 715 -0.906 11.683 -36.409 507 HA THR 715 HA THR 715 1.688 13.013 -35.973 508 HB THR 715 HB THR 715 0.599 11.792 -38.553 509 HG1 THR 715 HG1 THR 715 0.869 10.370 -36.569 510 HG21 THR 715 HG21 THR 715 3.470 12.360 -37.695 511 HG22 THR 715 HG22 THR 715 2.547 13.319 -38.857 512 HG23 THR 715 HG23 THR 715 2.962 11.643 -39.225 513 H ARG 716 HN ARG 716 2.221 14.941 -37.057 514 HA ARG 716 HA ARG 716 -0.033 16.729 -37.543 515 HB2 ARG 716 HB2 ARG 716 2.941 17.441 -37.469 516 HB3 ARG 716 HB1 ARG 716 1.591 18.560 -37.414 517 HG2 ARG 716 HG2 ARG 716 2.327 18.508 -35.188 518 HG3 ARG 716 HG1 ARG 716 0.962 17.391 -35.168 519 HD2 ARG 716 HD2 ARG 716 2.553 15.490 -35.364 520 HD3 ARG 716 HD1 ARG 716 3.898 16.634 -35.330 521 HE ARG 716 HE ARG 716 2.102 16.765 -33.049 522 HH11 ARG 716 HH11 ARG 716 5.106 15.422 -34.294 523 HH12 ARG 716 HH12 ARG 716 5.674 14.943 -32.727 524 HH21 ARG 716 HH21 ARG 716 2.876 16.132 -30.999 525 HH22 ARG 716 HH22 ARG 716 4.406 15.325 -30.864 Start of MODEL 16 1 H PHE 652 HT1 PHE 652 -2.482 -5.392 1.965 2 HA PHE 652 HA PHE 652 -2.845 -7.872 0.396 3 HB2 PHE 652 HB2 PHE 652 -2.767 -4.963 -0.535 4 HB3 PHE 652 HB1 PHE 652 -2.850 -6.363 -1.599 5 HD1 PHE 652 HD1 PHE 652 -4.732 -4.298 0.831 6 HD2 PHE 652 HD2 PHE 652 -4.955 -7.568 -1.919 7 HE1 PHE 652 HE1 PHE 652 -7.187 -4.243 0.958 8 HE2 PHE 652 HE2 PHE 652 -7.412 -7.504 -1.788 9 HZ PHE 652 HZ PHE 652 -8.530 -5.846 -0.347 10 H ASN 653 HN ASN 653 -0.908 -4.874 0.591 11 HA ASN 653 HA ASN 653 1.298 -4.376 0.529 12 HB2 ASN 653 HB2 ASN 653 1.667 -7.239 1.529 13 HB3 ASN 653 HB1 ASN 653 2.898 -5.980 1.581 14 HD21 ASN 653 HD21 ASN 653 2.574 -4.188 2.997 15 HD22 ASN 653 HD22 ASN 653 1.513 -4.309 4.358 16 H THR 654 HN THR 654 -0.044 -5.485 -1.825 17 HA THR 654 HA THR 654 2.083 -5.609 -3.675 18 HB THR 654 HB THR 654 2.326 -7.965 -2.832 19 HG1 THR 654 HG1 THR 654 1.424 -8.661 -5.275 20 HG21 THR 654 HG21 THR 654 -0.485 -8.396 -3.909 21 HG22 THR 654 HG22 THR 654 -0.026 -8.422 -2.206 22 HG23 THR 654 HG23 THR 654 0.595 -9.656 -3.304 23 H SER 655 HN SER 655 1.129 -6.212 -5.944 24 HA SER 655 HA SER 655 -1.538 -4.957 -6.215 25 HB2 SER 655 HB2 SER 655 0.601 -5.515 -8.326 26 HB3 SER 655 HB1 SER 655 -0.878 -4.582 -8.557 27 HG SER 655 HG SER 655 0.896 -3.831 -6.513 28 H ASP 656 HN ASP 656 -3.282 -6.172 -6.819 29 HA ASP 656 HA ASP 656 -2.858 -9.006 -7.554 30 HB2 ASP 656 HB2 ASP 656 -5.038 -9.486 -6.643 31 HB3 ASP 656 HB1 ASP 656 -4.161 -8.537 -5.454 32 H TYR 657 HN TYR 657 -3.377 -9.689 -9.547 33 HA TYR 657 HA TYR 657 -4.403 -7.825 -11.532 34 HB2 TYR 657 HB2 TYR 657 -3.409 -10.697 -11.789 35 HB3 TYR 657 HB1 TYR 657 -3.901 -9.693 -13.148 36 HD1 TYR 657 HD2 TYR 657 -2.534 -7.676 -13.783 37 HD2 TYR 657 HD1 TYR 657 -1.218 -10.370 -10.737 38 HE1 TYR 657 HE2 TYR 657 -0.268 -6.739 -13.934 39 HE2 TYR 657 HE1 TYR 657 1.046 -9.421 -10.888 40 HH TYR 657 HH TYR 657 2.447 -8.206 -12.428 41 H ARG 658 HN ARG 658 -6.510 -7.538 -11.608 42 HA ARG 658 HA ARG 658 -8.485 -9.564 -10.985 43 HB2 ARG 658 HB2 ARG 658 -8.732 -6.694 -11.991 44 HB3 ARG 658 HB1 ARG 658 -10.099 -7.693 -11.507 45 HG2 ARG 658 HG2 ARG 658 -9.457 -7.658 -9.208 46 HG3 ARG 658 HG1 ARG 658 -7.835 -7.069 -9.581 47 HD2 ARG 658 HD2 ARG 658 -8.706 -4.887 -10.204 48 HD3 ARG 658 HD1 ARG 658 -10.370 -5.459 -10.058 49 HE ARG 658 HE ARG 658 -10.265 -5.199 -7.788 50 HH11 ARG 658 HH11 ARG 658 -6.954 -4.975 -8.985 51 HH12 ARG 658 HH12 ARG 658 -6.331 -4.390 -7.482 52 HH21 ARG 658 HH21 ARG 658 -9.432 -4.422 -5.844 53 HH22 ARG 658 HH22 ARG 658 -7.743 -4.061 -5.691 54 H PHE 659 HN PHE 659 -7.490 -10.954 -12.802 55 HA PHE 659 HA PHE 659 -8.204 -10.221 -15.508 56 HB2 PHE 659 HB2 PHE 659 -7.340 -12.663 -15.985 57 HB3 PHE 659 HB1 PHE 659 -6.220 -11.362 -15.640 58 HD1 PHE 659 HD1 PHE 659 -8.070 -14.130 -13.859 59 HD2 PHE 659 HD2 PHE 659 -4.515 -11.764 -14.088 60 HE1 PHE 659 HE1 PHE 659 -7.034 -15.495 -12.092 61 HE2 PHE 659 HE2 PHE 659 -3.486 -13.142 -12.335 62 HZ PHE 659 HZ PHE 659 -4.740 -15.005 -11.336 63 H GLU 660 HN GLU 660 -10.385 -9.958 -15.327 64 HA GLU 660 HA GLU 660 -11.962 -12.337 -15.911 65 HB2 GLU 660 HB2 GLU 660 -12.210 -12.092 -13.431 66 HB3 GLU 660 HB1 GLU 660 -12.752 -10.434 -13.650 67 HG2 GLU 660 HG2 GLU 660 -14.735 -11.314 -14.921 68 HG3 GLU 660 HG1 GLU 660 -14.196 -12.948 -14.546 69 H CYS 661 HN CYS 661 -14.015 -11.742 -16.952 70 HA CYS 661 HA CYS 661 -13.648 -9.555 -18.745 71 HB2 CYS 661 HB2 CYS 661 -14.657 -11.735 -19.409 72 HB3 CYS 661 HB1 CYS 661 -16.099 -11.312 -18.484 73 H ILE 662 HN ILE 662 -14.679 -7.643 -18.961 74 HA ILE 662 HA ILE 662 -15.361 -6.091 -16.796 75 HB ILE 662 HB ILE 662 -16.383 -4.477 -18.479 76 HG12 ILE 662 HG12 ILE 662 -15.710 -6.682 -20.500 77 HG13 ILE 662 HG11 ILE 662 -17.338 -6.191 -20.049 78 HG21 ILE 662 HG21 ILE 662 -14.002 -4.363 -17.968 79 HG22 ILE 662 HG22 ILE 662 -14.256 -4.035 -19.684 80 HG23 ILE 662 HG23 ILE 662 -13.650 -5.610 -19.167 81 HD11 ILE 662 HD11 ILE 662 -15.297 -4.496 -21.486 82 HD12 ILE 662 HD12 ILE 662 -16.926 -3.978 -21.042 83 HD13 ILE 662 HD13 ILE 662 -16.700 -5.284 -22.205 84 H CYS 663 HN CYS 663 -17.610 -8.037 -18.700 85 HA CYS 663 HA CYS 663 -20.011 -6.661 -17.900 86 HB2 CYS 663 HB2 CYS 663 -21.178 -8.444 -19.132 87 HB3 CYS 663 HB1 CYS 663 -19.779 -7.895 -20.056 88 H GLY 664 HN GLY 664 -18.275 -9.512 -16.737 89 HA2 GLY 664 HA2 GLY 664 -18.497 -10.748 -14.800 90 HA3 GLY 664 HA1 GLY 664 -19.772 -9.661 -14.280 91 H GLU 665 HN GLU 665 -20.241 -11.121 -17.378 92 HA GLU 665 HA GLU 665 -22.479 -12.738 -16.630 93 HB2 GLU 665 HB2 GLU 665 -20.795 -12.902 -19.177 94 HB3 GLU 665 HB1 GLU 665 -22.397 -13.600 -18.966 95 HG2 GLU 665 HG2 GLU 665 -23.426 -11.438 -18.926 96 HG3 GLU 665 HG1 GLU 665 -21.867 -10.627 -18.789 97 H LEU 666 HN LEU 666 -19.422 -13.731 -18.092 98 HA LEU 666 HA LEU 666 -18.891 -15.988 -16.342 99 HB2 LEU 666 HB2 LEU 666 -19.518 -16.324 -19.322 100 HB3 LEU 666 HB1 LEU 666 -18.715 -17.555 -18.357 101 HG LEU 666 HG LEU 666 -21.553 -16.571 -17.853 102 HD11 LEU 666 HD11 LEU 666 -22.301 -18.708 -18.822 103 HD12 LEU 666 HD12 LEU 666 -20.638 -19.106 -19.261 104 HD13 LEU 666 HD13 LEU 666 -21.445 -17.724 -20.007 105 HD21 LEU 666 HD21 LEU 666 -21.735 -18.548 -16.380 106 HD22 LEU 666 HD22 LEU 666 -20.484 -17.437 -15.826 107 HD23 LEU 666 HD23 LEU 666 -20.031 -18.922 -16.668 108 H ASP 667 HN ASP 667 -16.799 -17.129 -17.441 109 HA ASP 667 HA ASP 667 -15.609 -15.662 -19.618 110 HB2 ASP 667 HB2 ASP 667 -14.686 -14.626 -17.349 111 HB3 ASP 667 HB1 ASP 667 -13.714 -16.096 -17.271 112 H GLN 668 HN GLN 668 -16.238 -17.575 -20.596 113 HA GLN 668 HA GLN 668 -14.382 -19.850 -20.398 114 HB2 GLN 668 HB2 GLN 668 -16.307 -21.442 -20.646 115 HB3 GLN 668 HB1 GLN 668 -16.320 -20.593 -19.103 116 HG2 GLN 668 HG2 GLN 668 -18.087 -19.120 -19.854 117 HG3 GLN 668 HG1 GLN 668 -17.995 -19.776 -21.491 118 HE21 GLN 668 HE21 GLN 668 -18.977 -20.428 -18.186 119 HE22 GLN 668 HE22 GLN 668 -20.012 -21.763 -18.553 120 H ILE 669 HN ILE 669 -14.659 -21.284 -22.423 121 HA ILE 669 HA ILE 669 -15.289 -19.618 -24.804 122 HB ILE 669 HB ILE 669 -13.448 -22.052 -24.632 123 HG12 ILE 669 HG12 ILE 669 -12.738 -19.096 -24.910 124 HG13 ILE 669 HG11 ILE 669 -12.512 -20.063 -23.459 125 HG21 ILE 669 HG21 ILE 669 -12.738 -21.468 -26.938 126 HG22 ILE 669 HG22 ILE 669 -13.937 -20.173 -26.982 127 HG23 ILE 669 HG23 ILE 669 -14.459 -21.856 -26.873 128 HD11 ILE 669 HD11 ILE 669 -11.081 -20.443 -26.089 129 HD12 ILE 669 HD12 ILE 669 -10.852 -21.432 -24.643 130 HD13 ILE 669 HD13 ILE 669 -10.423 -19.721 -24.620 131 H ASP 670 HN ASP 670 -16.272 -22.374 -23.023 132 HA ASP 670 HA ASP 670 -17.239 -24.174 -24.908 133 HB2 ASP 670 HB2 ASP 670 -17.065 -24.809 -22.586 134 HB3 ASP 670 HB1 ASP 670 -18.206 -23.573 -22.082 135 H ARG 671 HN ARG 671 -19.389 -21.930 -23.083 136 HA ARG 671 HA ARG 671 -21.531 -22.350 -24.997 137 HB2 ARG 671 HB2 ARG 671 -21.814 -22.136 -22.443 138 HB3 ARG 671 HB1 ARG 671 -21.539 -20.416 -22.650 139 HG2 ARG 671 HG2 ARG 671 -23.889 -20.659 -22.541 140 HG3 ARG 671 HG1 ARG 671 -23.539 -20.414 -24.252 141 HD2 ARG 671 HD2 ARG 671 -24.034 -23.131 -22.949 142 HD3 ARG 671 HD1 ARG 671 -25.248 -22.200 -23.820 143 HE ARG 671 HE ARG 671 -23.855 -22.476 -25.845 144 HH11 ARG 671 HH11 ARG 671 -23.355 -24.762 -23.227 145 HH12 ARG 671 HH12 ARG 671 -22.799 -26.024 -24.276 146 HH21 ARG 671 HH21 ARG 671 -23.118 -24.138 -27.206 147 HH22 ARG 671 HH22 ARG 671 -22.643 -25.661 -26.520 148 H LYS 672 HN LYS 672 -20.125 -19.343 -23.641 149 HA LYS 672 HA LYS 672 -20.210 -18.067 -26.312 150 HB2 LYS 672 HB2 LYS 672 -19.788 -16.811 -23.550 151 HB3 LYS 672 HB1 LYS 672 -19.891 -15.929 -25.073 152 HG2 LYS 672 HG2 LYS 672 -22.106 -17.473 -23.689 153 HG3 LYS 672 HG1 LYS 672 -21.981 -15.722 -23.863 154 HD2 LYS 672 HD2 LYS 672 -22.376 -17.719 -26.131 155 HD3 LYS 672 HD1 LYS 672 -23.637 -16.707 -25.428 156 HE2 LYS 672 HE2 LYS 672 -21.172 -15.630 -26.851 157 HE3 LYS 672 HE1 LYS 672 -22.750 -15.844 -27.604 158 HZ1 LYS 672 HZ1 LYS 672 -23.672 -14.286 -25.979 159 HZ2 LYS 672 HZ2 LYS 672 -22.458 -13.572 -26.912 160 HZ3 LYS 672 HZ3 LYS 672 -22.137 -14.044 -25.321 161 HA PRO 673 HA PRO 673 -15.691 -18.510 -26.244 162 HB2 PRO 673 HB2 PRO 673 -14.921 -16.668 -28.102 163 HB3 PRO 673 HB1 PRO 673 -15.734 -18.168 -28.527 164 HG2 PRO 673 HG2 PRO 673 -16.870 -15.402 -28.294 165 HG3 PRO 673 HG1 PRO 673 -17.199 -16.647 -29.515 166 HD2 PRO 673 HD2 PRO 673 -18.853 -16.117 -27.359 167 HD3 PRO 673 HD1 PRO 673 -18.791 -17.686 -28.194 168 H ARG 674 HN ARG 674 -13.819 -17.564 -25.321 169 HA ARG 674 HA ARG 674 -13.901 -14.710 -24.632 170 HB2 ARG 674 HB2 ARG 674 -12.989 -15.081 -22.382 171 HB3 ARG 674 HB1 ARG 674 -14.545 -15.857 -22.578 172 HG2 ARG 674 HG2 ARG 674 -13.462 -17.500 -21.427 173 HG3 ARG 674 HG1 ARG 674 -13.069 -17.999 -23.063 174 HD2 ARG 674 HD2 ARG 674 -10.876 -16.704 -22.759 175 HD3 ARG 674 HD1 ARG 674 -11.285 -16.626 -21.039 176 HE ARG 674 HE ARG 674 -11.429 -19.292 -22.105 177 HH11 ARG 674 HH11 ARG 674 -9.248 -16.957 -20.639 178 HH12 ARG 674 HH12 ARG 674 -8.024 -18.137 -20.315 179 HH21 ARG 674 HH21 ARG 674 -9.827 -20.810 -21.677 180 HH22 ARG 674 HH22 ARG 674 -8.352 -20.324 -20.910 181 H VAL 675 HN VAL 675 -12.123 -13.609 -25.003 182 HA VAL 675 HA VAL 675 -9.700 -14.999 -25.961 183 HB VAL 675 HB VAL 675 -9.173 -12.958 -27.226 184 HG11 VAL 675 HG11 VAL 675 -12.018 -13.935 -27.681 185 HG12 VAL 675 HG12 VAL 675 -10.546 -14.610 -28.374 186 HG13 VAL 675 HG13 VAL 675 -11.082 -13.002 -28.847 187 HG21 VAL 675 HG21 VAL 675 -11.767 -11.783 -26.125 188 HG22 VAL 675 HG22 VAL 675 -10.757 -11.045 -27.372 189 HG23 VAL 675 HG23 VAL 675 -10.132 -11.236 -25.734 190 H GLN 676 HN GLN 676 -7.742 -14.504 -25.076 191 HA GLN 676 HA GLN 676 -7.776 -13.308 -22.412 192 HB2 GLN 676 HB2 GLN 676 -5.591 -14.808 -23.929 193 HB3 GLN 676 HB1 GLN 676 -5.410 -14.204 -22.294 194 HG2 GLN 676 HG2 GLN 676 -5.840 -16.541 -22.166 195 HG3 GLN 676 HG1 GLN 676 -7.283 -15.713 -21.585 196 HE21 GLN 676 HE21 GLN 676 -9.146 -15.701 -22.898 197 HE22 GLN 676 HE22 GLN 676 -9.390 -16.898 -24.135 198 H CYS 677 HN CYS 677 -5.522 -12.128 -21.947 199 HA CYS 677 HA CYS 677 -4.413 -10.644 -24.189 200 HB2 CYS 677 HB2 CYS 677 -6.238 -9.187 -23.299 201 HB3 CYS 677 HB1 CYS 677 -5.480 -9.224 -21.710 202 H LEU 678 HN LEU 678 -2.603 -11.846 -23.878 203 HA LEU 678 HA LEU 678 -1.271 -12.425 -21.476 204 HB2 LEU 678 HB2 LEU 678 0.694 -12.932 -23.007 205 HB3 LEU 678 HB1 LEU 678 -0.811 -13.741 -23.393 206 HG LEU 678 HG LEU 678 -1.129 -11.785 -25.146 207 HD11 LEU 678 HD11 LEU 678 1.880 -11.694 -24.864 208 HD12 LEU 678 HD12 LEU 678 0.753 -10.392 -24.468 209 HD13 LEU 678 HD13 LEU 678 0.921 -10.931 -26.136 210 HD21 LEU 678 HD21 LEU 678 -0.856 -14.154 -25.763 211 HD22 LEU 678 HD22 LEU 678 0.898 -13.976 -25.692 212 HD23 LEU 678 HD23 LEU 678 -0.037 -13.079 -26.896 213 H LYS 679 HN LYS 679 -1.329 -9.525 -23.358 214 HA LYS 679 HA LYS 679 1.125 -8.324 -22.738 215 HB2 LYS 679 HB2 LYS 679 -0.500 -7.654 -24.559 216 HB3 LYS 679 HB1 LYS 679 -1.515 -6.917 -23.324 217 HG2 LYS 679 HG2 LYS 679 0.372 -5.372 -22.757 218 HG3 LYS 679 HG1 LYS 679 1.310 -6.079 -24.076 219 HD2 LYS 679 HD2 LYS 679 -1.348 -4.609 -24.392 220 HD3 LYS 679 HD1 LYS 679 0.243 -3.914 -24.705 221 HE2 LYS 679 HE2 LYS 679 -0.933 -6.292 -26.192 222 HE3 LYS 679 HE1 LYS 679 -0.932 -4.632 -26.785 223 HZ1 LYS 679 HZ1 LYS 679 0.874 -5.945 -27.726 224 HZ2 LYS 679 HZ2 LYS 679 1.496 -6.236 -26.181 225 HZ3 LYS 679 HZ3 LYS 679 1.469 -4.664 -26.797 226 H CYS 680 HN CYS 680 -1.969 -8.290 -20.920 227 HA CYS 680 HA CYS 680 -0.616 -6.846 -18.702 228 HB2 CYS 680 HB2 CYS 680 -2.609 -5.518 -18.251 229 HB3 CYS 680 HB1 CYS 680 -2.151 -5.280 -19.929 230 H HIS 681 HN HIS 681 -1.720 -9.739 -19.474 231 HA HIS 681 HA HIS 681 -2.694 -11.537 -18.505 232 HB2 HIS 681 HB2 HIS 681 -1.877 -10.161 -15.911 233 HB3 HIS 681 HB1 HIS 681 -2.340 -11.851 -16.054 234 HD1 HIS 681 HD1 HIS 681 -0.565 -13.499 -16.852 235 HD2 HIS 681 HD2 HIS 681 0.696 -9.545 -17.044 236 HE1 HIS 681 HE1 HIS 681 1.903 -13.599 -17.325 237 HE2 HIS 681 HE2 HIS 681 2.671 -11.206 -17.220 238 H LEU 682 HN LEU 682 -4.716 -10.846 -19.371 239 HA LEU 682 HA LEU 682 -6.827 -10.300 -17.415 240 HB2 LEU 682 HB2 LEU 682 -5.933 -8.047 -18.195 241 HB3 LEU 682 HB1 LEU 682 -6.396 -8.471 -19.828 242 HG LEU 682 HG LEU 682 -7.926 -6.857 -18.633 243 HD11 LEU 682 HD11 LEU 682 -9.347 -9.361 -19.536 244 HD12 LEU 682 HD12 LEU 682 -8.696 -8.112 -20.596 245 HD13 LEU 682 HD13 LEU 682 -9.993 -7.716 -19.477 246 HD21 LEU 682 HD21 LEU 682 -9.517 -7.654 -16.983 247 HD22 LEU 682 HD22 LEU 682 -7.866 -7.866 -16.405 248 HD23 LEU 682 HD23 LEU 682 -8.773 -9.257 -17.004 249 H TRP 683 HN TRP 683 -8.290 -11.833 -17.892 250 HA TRP 683 HA TRP 683 -8.563 -12.829 -20.647 251 HB2 TRP 683 HB2 TRP 683 -9.997 -14.238 -18.401 252 HB3 TRP 683 HB1 TRP 683 -9.171 -14.905 -19.798 253 HD1 TRP 683 HD1 TRP 683 -8.934 -15.293 -16.334 254 HE1 TRP 683 HE1 TRP 683 -6.568 -15.695 -15.456 255 HE3 TRP 683 HE3 TRP 683 -6.207 -13.650 -20.380 256 HZ2 TRP 683 HZ2 TRP 683 -3.924 -15.339 -16.287 257 HZ3 TRP 683 HZ3 TRP 683 -3.753 -13.708 -20.226 258 HH2 TRP 683 HH2 TRP 683 -2.637 -14.538 -18.219 259 H GLN 684 HN GLN 684 -10.473 -12.568 -21.734 260 HA GLN 684 HA GLN 684 -12.759 -11.185 -20.481 261 HB2 GLN 684 HB2 GLN 684 -10.893 -9.611 -21.519 262 HB3 GLN 684 HB1 GLN 684 -11.523 -10.153 -23.063 263 HG2 GLN 684 HG2 GLN 684 -12.880 -8.352 -22.898 264 HG3 GLN 684 HG1 GLN 684 -13.855 -9.369 -21.851 265 HE21 GLN 684 HE21 GLN 684 -11.984 -9.214 -19.587 266 HE22 GLN 684 HE22 GLN 684 -12.126 -7.609 -18.968 267 H HIS 685 HN HIS 685 -14.718 -11.267 -21.939 268 HA HIS 685 HA HIS 685 -14.897 -13.578 -23.618 269 HB2 HIS 685 HB2 HIS 685 -16.804 -11.267 -23.170 270 HB3 HIS 685 HB1 HIS 685 -17.148 -12.497 -24.375 271 HD2 HIS 685 HD2 HIS 685 -16.670 -15.227 -22.723 272 HE1 HIS 685 HE1 HIS 685 -19.278 -13.419 -19.917 273 HE2 HIS 685 HE2 HIS 685 -18.434 -15.628 -20.853 274 H ALA 686 HN ALA 686 -15.029 -13.753 -25.842 275 HA ALA 686 HA ALA 686 -13.601 -11.941 -27.467 276 HB1 ALA 686 HB1 ALA 686 -15.586 -14.094 -28.269 277 HB2 ALA 686 HB2 ALA 686 -13.863 -14.337 -27.976 278 HB3 ALA 686 HB3 ALA 686 -14.392 -13.336 -29.328 279 H LYS 687 HN LYS 687 -17.110 -12.542 -27.122 280 HA LYS 687 HA LYS 687 -17.910 -10.657 -29.109 281 HB2 LYS 687 HB2 LYS 687 -19.313 -12.486 -27.183 282 HB3 LYS 687 HB1 LYS 687 -20.245 -11.106 -27.739 283 HG2 LYS 687 HG2 LYS 687 -20.620 -13.156 -29.103 284 HG3 LYS 687 HG1 LYS 687 -20.050 -11.771 -30.040 285 HD2 LYS 687 HD2 LYS 687 -17.716 -12.757 -29.962 286 HD3 LYS 687 HD1 LYS 687 -18.394 -14.184 -29.168 287 HE2 LYS 687 HE2 LYS 687 -18.110 -14.595 -31.560 288 HE3 LYS 687 HE1 LYS 687 -19.831 -14.568 -31.169 289 HZ1 LYS 687 HZ1 LYS 687 -19.989 -12.342 -32.016 290 HZ2 LYS 687 HZ2 LYS 687 -19.278 -13.318 -33.195 291 HZ3 LYS 687 HZ3 LYS 687 -18.323 -12.258 -32.287 292 H CYS 688 HN CYS 688 -17.201 -10.278 -25.719 293 HA CYS 688 HA CYS 688 -18.600 -7.770 -25.383 294 HB2 CYS 688 HB2 CYS 688 -16.480 -9.129 -23.701 295 HB3 CYS 688 HB1 CYS 688 -17.207 -7.586 -23.261 296 H VAL 689 HN VAL 689 -15.625 -8.692 -26.843 297 HA VAL 689 HA VAL 689 -14.640 -5.886 -26.870 298 HB VAL 689 HB VAL 689 -12.372 -6.667 -27.012 299 HG11 VAL 689 HG11 VAL 689 -13.815 -8.367 -24.936 300 HG12 VAL 689 HG12 VAL 689 -13.310 -6.689 -24.736 301 HG13 VAL 689 HG13 VAL 689 -12.095 -7.953 -24.914 302 HG21 VAL 689 HG21 VAL 689 -12.667 -8.575 -28.535 303 HG22 VAL 689 HG22 VAL 689 -13.411 -9.518 -27.246 304 HG23 VAL 689 HG23 VAL 689 -11.711 -9.050 -27.129 305 H ASN 690 HN ASN 690 -16.361 -7.912 -28.695 306 HA ASN 690 HA ASN 690 -17.018 -8.003 -30.847 307 HB2 ASN 690 HB2 ASN 690 -15.185 -5.598 -31.259 308 HB3 ASN 690 HB1 ASN 690 -16.377 -6.175 -32.423 309 HD21 ASN 690 HD21 ASN 690 -16.130 -3.594 -30.979 310 HD22 ASN 690 HD22 ASN 690 -17.654 -3.359 -30.199 311 H TYR 691 HN TYR 691 -14.599 -9.387 -29.890 312 HA TYR 691 HA TYR 691 -13.206 -10.104 -32.413 313 HB2 TYR 691 HB2 TYR 691 -12.050 -9.451 -30.078 314 HB3 TYR 691 HB1 TYR 691 -12.420 -11.104 -29.635 315 HD1 TYR 691 HD2 TYR 691 -10.299 -8.917 -31.739 316 HD2 TYR 691 HD1 TYR 691 -11.136 -12.963 -30.662 317 HE1 TYR 691 HE2 TYR 691 -8.148 -9.627 -32.698 318 HE2 TYR 691 HE1 TYR 691 -8.993 -13.670 -31.603 319 HH TYR 691 HH TYR 691 -6.530 -11.534 -32.382 320 H ASP 692 HN ASP 692 -12.633 -12.764 -32.014 321 HA ASP 692 HA ASP 692 -14.986 -14.245 -31.130 322 HB2 ASP 692 HB2 ASP 692 -15.409 -15.263 -33.334 323 HB3 ASP 692 HB1 ASP 692 -15.627 -13.519 -33.392 324 H GLU 693 HN GLU 693 -14.722 -16.651 -31.575 325 HA GLU 693 HA GLU 693 -12.118 -17.468 -30.629 326 HB2 GLU 693 HB2 GLU 693 -13.112 -19.753 -30.457 327 HB3 GLU 693 HB1 GLU 693 -14.008 -18.516 -29.586 328 HG2 GLU 693 HG2 GLU 693 -15.726 -18.458 -31.277 329 HG3 GLU 693 HG1 GLU 693 -14.803 -19.525 -32.334 330 H LYS 694 HN LYS 694 -13.719 -17.490 -33.740 331 HA LYS 694 HA LYS 694 -12.487 -19.742 -34.927 332 HB2 LYS 694 HB2 LYS 694 -13.878 -17.300 -36.051 333 HB3 LYS 694 HB1 LYS 694 -12.996 -18.341 -37.157 334 HG2 LYS 694 HG2 LYS 694 -15.393 -18.888 -37.113 335 HG3 LYS 694 HG1 LYS 694 -14.397 -20.246 -36.578 336 HD2 LYS 694 HD2 LYS 694 -14.927 -19.606 -34.197 337 HD3 LYS 694 HD1 LYS 694 -16.034 -18.375 -34.812 338 HE2 LYS 694 HE2 LYS 694 -17.440 -20.087 -35.824 339 HE3 LYS 694 HE1 LYS 694 -16.272 -21.346 -35.417 340 HZ1 LYS 694 HZ1 LYS 694 -18.151 -21.283 -33.889 341 HZ2 LYS 694 HZ2 LYS 694 -17.755 -19.702 -33.440 342 HZ3 LYS 694 HZ3 LYS 694 -16.692 -20.974 -33.093 343 H ASN 695 HN ASN 695 -11.533 -16.313 -34.915 344 HA ASN 695 HA ASN 695 -8.938 -16.966 -36.139 345 HB2 ASN 695 HB2 ASN 695 -8.596 -14.629 -36.436 346 HB3 ASN 695 HB1 ASN 695 -10.256 -14.937 -36.886 347 HD21 ASN 695 HD21 ASN 695 -10.920 -15.011 -33.860 348 HD22 ASN 695 HD22 ASN 695 -11.038 -13.354 -33.465 349 H LEU 696 HN LEU 696 -10.142 -17.070 -33.071 350 HA LEU 696 HA LEU 696 -7.960 -16.003 -31.537 351 HB2 LEU 696 HB2 LEU 696 -10.214 -16.264 -30.601 352 HB3 LEU 696 HB1 LEU 696 -10.141 -17.996 -30.840 353 HG LEU 696 HG LEU 696 -8.383 -18.172 -29.094 354 HD11 LEU 696 HD11 LEU 696 -8.802 -15.191 -28.761 355 HD12 LEU 696 HD12 LEU 696 -7.326 -16.006 -29.286 356 HD13 LEU 696 HD13 LEU 696 -7.914 -16.227 -27.642 357 HD21 LEU 696 HD21 LEU 696 -9.842 -17.718 -27.157 358 HD22 LEU 696 HD22 LEU 696 -10.738 -18.478 -28.468 359 HD23 LEU 696 HD23 LEU 696 -10.907 -16.745 -28.175 360 H LYS 697 HN LYS 697 -8.706 -19.160 -32.983 361 HA LYS 697 HA LYS 697 -6.474 -20.596 -31.915 362 HB2 LYS 697 HB2 LYS 697 -8.143 -20.992 -34.420 363 HB3 LYS 697 HB1 LYS 697 -6.721 -21.986 -34.154 364 HG2 LYS 697 HG2 LYS 697 -8.481 -23.298 -33.354 365 HG3 LYS 697 HG1 LYS 697 -7.778 -22.613 -31.887 366 HD2 LYS 697 HD2 LYS 697 -10.150 -22.445 -31.624 367 HD3 LYS 697 HD1 LYS 697 -9.593 -20.813 -32.017 368 HE2 LYS 697 HE2 LYS 697 -11.565 -21.212 -33.315 369 HE3 LYS 697 HE1 LYS 697 -10.194 -21.284 -34.419 370 HZ1 LYS 697 HZ1 LYS 697 -10.281 -23.677 -34.337 371 HZ2 LYS 697 HZ2 LYS 697 -11.764 -23.048 -34.842 372 HZ3 LYS 697 HZ3 LYS 697 -11.586 -23.635 -33.263 373 H ILE 698 HN ILE 698 -6.569 -18.067 -34.283 374 HA ILE 698 HA ILE 698 -3.926 -18.795 -35.430 375 HB ILE 698 HB ILE 698 -5.769 -16.600 -36.500 376 HG12 ILE 698 HG12 ILE 698 -5.866 -19.483 -37.491 377 HG13 ILE 698 HG11 ILE 698 -7.042 -18.788 -36.376 378 HG21 ILE 698 HG21 ILE 698 -3.455 -16.585 -37.327 379 HG22 ILE 698 HG22 ILE 698 -4.576 -16.978 -38.629 380 HG23 ILE 698 HG23 ILE 698 -3.616 -18.256 -37.879 381 HD11 ILE 698 HD11 ILE 698 -7.628 -17.097 -38.080 382 HD12 ILE 698 HD12 ILE 698 -7.923 -18.761 -38.603 383 HD13 ILE 698 HD13 ILE 698 -6.513 -17.889 -39.204 384 H LYS 699 HN LYS 699 -5.702 -15.822 -34.882 385 HA LYS 699 HA LYS 699 -3.411 -14.158 -34.837 386 HB2 LYS 699 HB2 LYS 699 -6.404 -13.731 -34.549 387 HB3 LYS 699 HB1 LYS 699 -5.287 -12.387 -34.514 388 HG2 LYS 699 HG2 LYS 699 -4.597 -12.776 -36.783 389 HG3 LYS 699 HG1 LYS 699 -5.414 -14.335 -36.820 390 HD2 LYS 699 HD2 LYS 699 -6.706 -12.648 -38.058 391 HD3 LYS 699 HD1 LYS 699 -7.589 -13.230 -36.646 392 HE2 LYS 699 HE2 LYS 699 -6.839 -11.183 -35.399 393 HE3 LYS 699 HE1 LYS 699 -6.105 -10.604 -36.895 394 HZ1 LYS 699 HZ1 LYS 699 -8.984 -11.167 -36.475 395 HZ2 LYS 699 HZ2 LYS 699 -8.297 -10.605 -37.915 396 HZ3 LYS 699 HZ3 LYS 699 -8.270 -9.637 -36.527 397 HA PRO 700 HA PRO 700 -2.606 -13.523 -30.401 398 HB2 PRO 700 HB2 PRO 700 -2.065 -10.768 -30.579 399 HB3 PRO 700 HB1 PRO 700 -0.894 -12.061 -30.871 400 HG2 PRO 700 HG2 PRO 700 -2.624 -10.579 -32.862 401 HG3 PRO 700 HG1 PRO 700 -0.880 -10.930 -32.949 402 HD2 PRO 700 HD2 PRO 700 -2.551 -12.416 -34.330 403 HD3 PRO 700 HD1 PRO 700 -1.271 -13.240 -33.399 404 H PHE 701 HN PHE 701 -3.817 -13.072 -28.683 405 HA PHE 701 HA PHE 701 -6.421 -11.748 -29.024 406 HB2 PHE 701 HB2 PHE 701 -6.790 -12.955 -26.688 407 HB3 PHE 701 HB1 PHE 701 -6.871 -13.869 -28.183 408 HD1 PHE 701 HD1 PHE 701 -4.356 -12.944 -25.519 409 HD2 PHE 701 HD2 PHE 701 -5.672 -15.904 -28.300 410 HE1 PHE 701 HE1 PHE 701 -2.700 -14.527 -24.643 411 HE2 PHE 701 HE2 PHE 701 -4.021 -17.482 -27.405 412 HZ PHE 701 HZ PHE 701 -2.535 -16.796 -25.578 413 H TYR 702 HN TYR 702 -6.764 -9.754 -28.163 414 HA TYR 702 HA TYR 702 -5.303 -8.914 -25.748 415 HB2 TYR 702 HB2 TYR 702 -5.383 -7.256 -28.313 416 HB3 TYR 702 HB1 TYR 702 -4.825 -6.653 -26.757 417 HD1 TYR 702 HD2 TYR 702 -2.994 -8.407 -25.618 418 HD2 TYR 702 HD1 TYR 702 -3.626 -7.805 -29.805 419 HE1 TYR 702 HE2 TYR 702 -0.742 -9.281 -26.087 420 HE2 TYR 702 HE1 TYR 702 -1.376 -8.674 -30.265 421 HH TYR 702 HH TYR 702 0.727 -9.019 -29.197 422 H CYS 703 HN CYS 703 -6.391 -7.604 -24.398 423 HA CYS 703 HA CYS 703 -9.239 -7.298 -24.616 424 HB2 CYS 703 HB2 CYS 703 -9.168 -6.619 -22.346 425 HB3 CYS 703 HB1 CYS 703 -7.797 -7.715 -22.481 426 HA PRO 704 HA PRO 704 -9.683 -3.349 -26.491 427 HB2 PRO 704 HB2 PRO 704 -11.747 -2.113 -25.199 428 HB3 PRO 704 HB1 PRO 704 -11.988 -3.585 -26.146 429 HG2 PRO 704 HG2 PRO 704 -11.608 -3.307 -23.163 430 HG3 PRO 704 HG1 PRO 704 -12.850 -4.224 -24.046 431 HD2 PRO 704 HD2 PRO 704 -10.654 -5.436 -23.058 432 HD3 PRO 704 HD1 PRO 704 -11.362 -5.944 -24.601 433 H HIS 705 HN HIS 705 -9.190 -3.155 -23.005 434 HA HIS 705 HA HIS 705 -8.784 -0.374 -22.730 435 HB2 HIS 705 HB2 HIS 705 -7.898 -2.731 -21.036 436 HB3 HIS 705 HB1 HIS 705 -7.449 -1.084 -20.608 437 HD1 HIS 705 HD1 HIS 705 -9.791 -3.440 -19.625 438 HD2 HIS 705 HD2 HIS 705 -10.079 0.574 -20.645 439 HE1 HIS 705 HE1 HIS 705 -11.929 -2.638 -18.568 440 HE2 HIS 705 HE2 HIS 705 -12.164 -0.259 -19.358 441 H CYS 706 HN CYS 706 -6.507 -2.992 -23.516 442 HA CYS 706 HA CYS 706 -4.144 -1.375 -23.490 443 HB2 CYS 706 HB2 CYS 706 -4.744 -4.058 -24.763 444 HB3 CYS 706 HB1 CYS 706 -3.167 -3.289 -24.905 445 H LEU 707 HN LEU 707 -6.490 -2.250 -26.013 446 HA LEU 707 HA LEU 707 -5.177 -1.177 -28.273 447 HB2 LEU 707 HB2 LEU 707 -8.142 -1.539 -27.688 448 HB3 LEU 707 HB1 LEU 707 -7.519 -1.073 -29.267 449 HG LEU 707 HG LEU 707 -6.870 -3.706 -27.860 450 HD11 LEU 707 HD11 LEU 707 -8.336 -4.768 -29.535 451 HD12 LEU 707 HD12 LEU 707 -8.816 -3.176 -30.131 452 HD13 LEU 707 HD13 LEU 707 -9.223 -3.665 -28.484 453 HD21 LEU 707 HD21 LEU 707 -5.915 -4.383 -30.039 454 HD22 LEU 707 HD22 LEU 707 -5.067 -2.993 -29.363 455 HD23 LEU 707 HD23 LEU 707 -6.222 -2.765 -30.682 456 H VAL 708 HN VAL 708 -7.542 0.274 -26.047 457 HA VAL 708 HA VAL 708 -7.716 2.839 -27.277 458 HB VAL 708 HB VAL 708 -8.447 1.930 -24.447 459 HG11 VAL 708 HG11 VAL 708 -8.154 4.375 -24.447 460 HG12 VAL 708 HG12 VAL 708 -9.866 3.969 -24.305 461 HG13 VAL 708 HG13 VAL 708 -9.217 4.522 -25.851 462 HG21 VAL 708 HG21 VAL 708 -10.770 1.849 -25.299 463 HG22 VAL 708 HG22 VAL 708 -9.724 0.761 -26.214 464 HG23 VAL 708 HG23 VAL 708 -10.205 2.313 -26.907 465 H ALA 709 HN ALA 709 -5.745 1.512 -24.652 466 HA ALA 709 HA ALA 709 -4.606 3.901 -23.675 467 HB1 ALA 709 HB1 ALA 709 -4.520 1.779 -22.425 468 HB2 ALA 709 HB2 ALA 709 -2.905 2.464 -22.616 469 HB3 ALA 709 HB3 ALA 709 -3.415 1.099 -23.621 470 H MET 710 HN MET 710 -3.646 1.767 -26.337 471 HA MET 710 HA MET 710 -1.153 3.256 -26.791 472 HB2 MET 710 HB2 MET 710 -2.182 0.715 -28.140 473 HB3 MET 710 HB1 MET 710 -0.600 1.450 -28.394 474 HG2 MET 710 HG2 MET 710 -0.085 1.082 -25.979 475 HG3 MET 710 HG1 MET 710 -1.628 0.245 -25.812 476 HE1 MET 710 HE1 MET 710 -1.824 -1.429 -28.554 477 HE2 MET 710 HE2 MET 710 -2.204 -2.075 -26.956 478 HE3 MET 710 HE3 MET 710 -1.095 -2.942 -28.018 479 H GLU 711 HN GLU 711 -3.545 1.908 -29.131 480 HA GLU 711 HA GLU 711 -4.348 2.605 -31.115 481 HB2 GLU 711 HB2 GLU 711 -4.288 5.381 -29.846 482 HB3 GLU 711 HB1 GLU 711 -5.157 4.954 -31.318 483 HG2 GLU 711 HG2 GLU 711 -6.488 3.306 -29.950 484 HG3 GLU 711 HG1 GLU 711 -5.721 3.969 -28.509 485 HA PRO 712 HA PRO 712 -1.103 4.226 -33.942 486 HB2 PRO 712 HB2 PRO 712 -3.381 5.484 -35.471 487 HB3 PRO 712 HB1 PRO 712 -2.085 4.426 -36.048 488 HG2 PRO 712 HG2 PRO 712 -4.572 3.491 -35.753 489 HG3 PRO 712 HG1 PRO 712 -3.173 2.479 -35.329 490 HD2 PRO 712 HD2 PRO 712 -5.031 4.010 -33.504 491 HD3 PRO 712 HD1 PRO 712 -4.327 2.390 -33.299 492 H VAL 713 HN VAL 713 0.073 6.066 -33.947 493 HA VAL 713 HA VAL 713 -0.933 8.262 -32.263 494 HB VAL 713 HB VAL 713 1.233 6.815 -31.815 495 HG11 VAL 713 HG11 VAL 713 2.445 8.837 -33.722 496 HG12 VAL 713 HG12 VAL 713 2.316 7.098 -33.996 497 HG13 VAL 713 HG13 VAL 713 3.342 7.711 -32.697 498 HG21 VAL 713 HG21 VAL 713 0.552 8.660 -30.384 499 HG22 VAL 713 HG22 VAL 713 1.293 9.828 -31.482 500 HG23 VAL 713 HG23 VAL 713 2.303 8.677 -30.603 501 H SER 714 HN SER 714 0.214 10.479 -32.805 502 HA SER 714 HA SER 714 -0.767 11.486 -35.223 503 HB2 SER 714 HB2 SER 714 1.389 12.714 -33.457 504 HB3 SER 714 HB1 SER 714 0.345 13.575 -34.590 505 HG SER 714 HG SER 714 -1.403 13.143 -33.299 506 H THR 715 HN THR 715 -0.031 10.518 -37.071 507 HA THR 715 HA THR 715 2.749 10.973 -37.925 508 HB THR 715 HB THR 715 1.328 8.261 -38.160 509 HG1 THR 715 HG1 THR 715 3.123 9.326 -36.326 510 HG21 THR 715 HG21 THR 715 2.814 8.671 -40.102 511 HG22 THR 715 HG22 THR 715 3.479 7.420 -39.050 512 HG23 THR 715 HG23 THR 715 4.149 9.052 -39.006 513 H ARG 716 HN ARG 716 2.970 11.195 -40.162 514 HA ARG 716 HA ARG 716 2.538 11.904 -42.243 515 HB2 ARG 716 HB2 ARG 716 -0.006 10.316 -41.913 516 HB3 ARG 716 HB1 ARG 716 0.472 11.085 -43.427 517 HG2 ARG 716 HG2 ARG 716 2.607 9.699 -43.323 518 HG3 ARG 716 HG1 ARG 716 1.888 8.826 -41.963 519 HD2 ARG 716 HD2 ARG 716 0.009 8.168 -43.391 520 HD3 ARG 716 HD1 ARG 716 0.716 9.057 -44.741 521 HE ARG 716 HE ARG 716 2.630 7.214 -43.894 522 HH11 ARG 716 HH11 ARG 716 -0.612 7.067 -45.259 523 HH12 ARG 716 HH12 ARG 716 -0.327 5.561 -46.071 524 HH21 ARG 716 HH21 ARG 716 2.978 5.248 -44.956 525 HH22 ARG 716 HH22 ARG 716 1.708 4.537 -45.897 Start of MODEL 17 1 H PHE 652 HT1 PHE 652 -8.856 2.680 -0.300 2 HA PHE 652 HA PHE 652 -9.425 1.392 -2.224 3 HB2 PHE 652 HB2 PHE 652 -7.062 2.827 -3.520 4 HB3 PHE 652 HB1 PHE 652 -7.942 1.481 -4.238 5 HD1 PHE 652 HD1 PHE 652 -10.269 1.789 -5.056 6 HD2 PHE 652 HD2 PHE 652 -8.031 5.085 -3.501 7 HE1 PHE 652 HE1 PHE 652 -11.889 3.360 -6.030 8 HE2 PHE 652 HE2 PHE 652 -9.657 6.650 -4.492 9 HZ PHE 652 HZ PHE 652 -11.588 5.786 -5.757 10 H ASN 653 HN ASN 653 -8.951 -0.093 -0.609 11 HA ASN 653 HA ASN 653 -6.242 -0.869 0.071 12 HB2 ASN 653 HB2 ASN 653 -8.971 -2.013 0.809 13 HB3 ASN 653 HB1 ASN 653 -7.464 -2.735 1.349 14 HD21 ASN 653 HD21 ASN 653 -7.832 0.774 1.201 15 HD22 ASN 653 HD22 ASN 653 -7.895 1.019 2.904 16 H THR 654 HN THR 654 -5.470 -3.052 -0.263 17 HA THR 654 HA THR 654 -4.749 -4.755 -1.480 18 HB THR 654 HB THR 654 -6.350 -6.395 -2.397 19 HG1 THR 654 HG1 THR 654 -7.894 -4.409 -2.948 20 HG21 THR 654 HG21 THR 654 -7.338 -5.197 0.213 21 HG22 THR 654 HG22 THR 654 -6.018 -6.359 0.044 22 HG23 THR 654 HG23 THR 654 -7.666 -6.836 -0.361 23 H SER 655 HN SER 655 -3.430 -3.788 -2.952 24 HA SER 655 HA SER 655 -4.429 -2.765 -5.514 25 HB2 SER 655 HB2 SER 655 -1.607 -2.895 -4.353 26 HB3 SER 655 HB1 SER 655 -2.060 -2.065 -5.844 27 HG SER 655 HG SER 655 -3.334 -1.467 -3.387 28 H ASP 656 HN ASP 656 -4.777 -5.553 -4.991 29 HA ASP 656 HA ASP 656 -2.824 -7.097 -6.482 30 HB2 ASP 656 HB2 ASP 656 -3.843 -8.005 -4.417 31 HB3 ASP 656 HB1 ASP 656 -5.450 -7.855 -5.118 32 H TYR 657 HN TYR 657 -3.318 -8.251 -8.409 33 HA TYR 657 HA TYR 657 -5.074 -6.803 -10.230 34 HB2 TYR 657 HB2 TYR 657 -3.148 -9.117 -10.743 35 HB3 TYR 657 HB1 TYR 657 -4.040 -8.263 -12.002 36 HD1 TYR 657 HD2 TYR 657 -3.623 -5.693 -12.210 37 HD2 TYR 657 HD1 TYR 657 -1.009 -8.302 -10.059 38 HE1 TYR 657 HE2 TYR 657 -1.822 -4.031 -12.377 39 HE2 TYR 657 HE1 TYR 657 0.788 -6.630 -10.222 40 HH TYR 657 HH TYR 657 1.408 -4.716 -11.725 41 H ARG 658 HN ARG 658 -7.168 -7.333 -9.624 42 HA ARG 658 HA ARG 658 -8.104 -10.103 -9.816 43 HB2 ARG 658 HB2 ARG 658 -9.569 -7.494 -9.195 44 HB3 ARG 658 HB1 ARG 658 -10.407 -9.025 -9.421 45 HG2 ARG 658 HG2 ARG 658 -10.215 -8.786 -7.087 46 HG3 ARG 658 HG1 ARG 658 -8.965 -9.951 -7.518 47 HD2 ARG 658 HD2 ARG 658 -7.345 -7.970 -7.543 48 HD3 ARG 658 HD1 ARG 658 -8.628 -7.034 -6.772 49 HE ARG 658 HE ARG 658 -7.121 -9.287 -5.636 50 HH11 ARG 658 HH11 ARG 658 -9.669 -6.906 -5.101 51 HH12 ARG 658 HH12 ARG 658 -9.569 -7.028 -3.373 52 HH21 ARG 658 HH21 ARG 658 -6.987 -9.413 -3.385 53 HH22 ARG 658 HH22 ARG 658 -8.053 -8.458 -2.398 54 H PHE 659 HN PHE 659 -8.075 -10.826 -11.850 55 HA PHE 659 HA PHE 659 -8.944 -9.083 -14.069 56 HB2 PHE 659 HB2 PHE 659 -7.771 -10.995 -15.466 57 HB3 PHE 659 HB1 PHE 659 -6.833 -9.731 -14.700 58 HD1 PHE 659 HD2 PHE 659 -8.085 -13.206 -13.934 59 HD2 PHE 659 HD1 PHE 659 -4.903 -10.370 -13.565 60 HE1 PHE 659 HE2 PHE 659 -6.679 -14.904 -12.849 61 HE2 PHE 659 HE1 PHE 659 -3.503 -12.084 -12.493 62 HZ PHE 659 HZ PHE 659 -4.392 -14.350 -12.127 63 H GLU 660 HN GLU 660 -10.775 -9.388 -14.953 64 HA GLU 660 HA GLU 660 -11.891 -11.907 -15.721 65 HB2 GLU 660 HB2 GLU 660 -12.628 -11.607 -13.251 66 HB3 GLU 660 HB1 GLU 660 -13.586 -10.240 -13.796 67 HG2 GLU 660 HG2 GLU 660 -14.889 -11.762 -15.268 68 HG3 GLU 660 HG1 GLU 660 -13.936 -13.126 -14.686 69 H CYS 661 HN CYS 661 -14.039 -11.414 -16.989 70 HA CYS 661 HA CYS 661 -13.519 -9.385 -18.859 71 HB2 CYS 661 HB2 CYS 661 -14.861 -11.335 -19.441 72 HB3 CYS 661 HB1 CYS 661 -16.149 -10.800 -18.363 73 H ILE 662 HN ILE 662 -14.620 -7.455 -19.396 74 HA ILE 662 HA ILE 662 -15.265 -5.677 -17.364 75 HB ILE 662 HB ILE 662 -16.350 -4.249 -19.208 76 HG12 ILE 662 HG12 ILE 662 -15.321 -6.456 -21.061 77 HG13 ILE 662 HG11 ILE 662 -17.015 -6.251 -20.641 78 HG21 ILE 662 HG21 ILE 662 -13.515 -5.252 -19.680 79 HG22 ILE 662 HG22 ILE 662 -13.998 -3.950 -18.592 80 HG23 ILE 662 HG23 ILE 662 -14.191 -3.756 -20.334 81 HD11 ILE 662 HD11 ILE 662 -16.481 -5.325 -22.821 82 HD12 ILE 662 HD12 ILE 662 -15.330 -4.213 -22.083 83 HD13 ILE 662 HD13 ILE 662 -17.054 -4.085 -21.708 84 H CYS 663 HN CYS 663 -17.509 -7.817 -19.189 85 HA CYS 663 HA CYS 663 -19.731 -6.945 -17.490 86 HB2 CYS 663 HB2 CYS 663 -21.197 -8.347 -18.731 87 HB3 CYS 663 HB1 CYS 663 -20.112 -7.651 -19.923 88 H GLY 664 HN GLY 664 -17.909 -9.948 -18.079 89 HA2 GLY 664 HA2 GLY 664 -17.157 -11.597 -16.681 90 HA3 GLY 664 HA1 GLY 664 -17.719 -10.656 -15.312 91 H GLU 665 HN GLU 665 -18.979 -12.671 -18.002 92 HA GLU 665 HA GLU 665 -21.191 -13.620 -16.284 93 HB2 GLU 665 HB2 GLU 665 -20.729 -14.262 -19.231 94 HB3 GLU 665 HB1 GLU 665 -22.193 -14.532 -18.294 95 HG2 GLU 665 HG2 GLU 665 -21.045 -11.862 -19.133 96 HG3 GLU 665 HG1 GLU 665 -22.465 -12.649 -19.808 97 H LEU 666 HN LEU 666 -19.439 -15.438 -18.814 98 HA LEU 666 HA LEU 666 -17.861 -16.991 -16.916 99 HB2 LEU 666 HB2 LEU 666 -19.778 -18.283 -18.915 100 HB3 LEU 666 HB1 LEU 666 -18.446 -19.137 -18.152 101 HG LEU 666 HG LEU 666 -20.808 -17.943 -16.656 102 HD11 LEU 666 HD11 LEU 666 -21.551 -19.812 -18.069 103 HD12 LEU 666 HD12 LEU 666 -21.595 -20.263 -16.368 104 HD13 LEU 666 HD13 LEU 666 -20.287 -20.849 -17.398 105 HD21 LEU 666 HD21 LEU 666 -18.582 -19.773 -15.680 106 HD22 LEU 666 HD22 LEU 666 -19.981 -19.260 -14.736 107 HD23 LEU 666 HD23 LEU 666 -18.792 -18.070 -15.257 108 H ASP 667 HN ASP 667 -15.873 -16.584 -17.722 109 HA ASP 667 HA ASP 667 -15.443 -16.126 -20.589 110 HB2 ASP 667 HB2 ASP 667 -13.551 -15.821 -18.217 111 HB3 ASP 667 HB1 ASP 667 -13.110 -15.470 -19.886 112 H GLN 668 HN GLN 668 -16.159 -18.416 -20.747 113 HA GLN 668 HA GLN 668 -13.861 -20.234 -21.060 114 HB2 GLN 668 HB2 GLN 668 -16.573 -21.066 -19.913 115 HB3 GLN 668 HB1 GLN 668 -15.216 -22.136 -20.262 116 HG2 GLN 668 HG2 GLN 668 -13.946 -21.279 -18.435 117 HG3 GLN 668 HG1 GLN 668 -15.027 -19.904 -18.223 118 HE21 GLN 668 HE21 GLN 668 -17.036 -20.218 -17.194 119 HE22 GLN 668 HE22 GLN 668 -17.390 -21.638 -16.280 120 H ILE 669 HN ILE 669 -14.047 -21.464 -22.961 121 HA ILE 669 HA ILE 669 -15.864 -20.600 -25.018 122 HB ILE 669 HB ILE 669 -14.040 -23.069 -25.008 123 HG12 ILE 669 HG12 ILE 669 -12.844 -20.847 -24.760 124 HG13 ILE 669 HG11 ILE 669 -12.395 -21.742 -26.205 125 HG21 ILE 669 HG21 ILE 669 -14.237 -23.026 -27.490 126 HG22 ILE 669 HG22 ILE 669 -15.417 -21.716 -27.371 127 HG23 ILE 669 HG23 ILE 669 -15.794 -23.309 -26.712 128 HD11 ILE 669 HD11 ILE 669 -14.321 -19.414 -26.120 129 HD12 ILE 669 HD12 ILE 669 -13.795 -20.282 -27.566 130 HD13 ILE 669 HD13 ILE 669 -12.634 -19.348 -26.625 131 H ASP 670 HN ASP 670 -15.849 -23.082 -22.628 132 HA ASP 670 HA ASP 670 -17.767 -24.920 -23.250 133 HB2 ASP 670 HB2 ASP 670 -17.443 -23.474 -20.578 134 HB3 ASP 670 HB1 ASP 670 -18.218 -25.038 -20.804 135 H ARG 671 HN ARG 671 -18.247 -21.566 -22.256 136 HA ARG 671 HA ARG 671 -21.161 -21.754 -22.737 137 HB2 ARG 671 HB2 ARG 671 -20.465 -20.935 -20.468 138 HB3 ARG 671 HB1 ARG 671 -19.616 -19.597 -21.233 139 HG2 ARG 671 HG2 ARG 671 -21.760 -18.831 -20.363 140 HG3 ARG 671 HG1 ARG 671 -21.765 -18.745 -22.124 141 HD2 ARG 671 HD2 ARG 671 -23.004 -20.936 -22.171 142 HD3 ARG 671 HD1 ARG 671 -23.096 -20.869 -20.407 143 HE ARG 671 HE ARG 671 -24.174 -18.600 -21.917 144 HH11 ARG 671 HH11 ARG 671 -24.885 -21.496 -20.040 145 HH12 ARG 671 HH12 ARG 671 -26.572 -21.112 -19.878 146 HH21 ARG 671 HH21 ARG 671 -26.382 -18.124 -21.701 147 HH22 ARG 671 HH22 ARG 671 -27.422 -19.212 -20.838 148 H LYS 672 HN LYS 672 -18.607 -19.219 -23.102 149 HA LYS 672 HA LYS 672 -19.701 -18.493 -25.763 150 HB2 LYS 672 HB2 LYS 672 -19.094 -16.559 -23.478 151 HB3 LYS 672 HB1 LYS 672 -19.463 -16.061 -25.124 152 HG2 LYS 672 HG2 LYS 672 -21.340 -17.510 -23.232 153 HG3 LYS 672 HG1 LYS 672 -21.401 -15.798 -23.646 154 HD2 LYS 672 HD2 LYS 672 -21.828 -18.097 -25.605 155 HD3 LYS 672 HD1 LYS 672 -23.112 -17.150 -24.852 156 HE2 LYS 672 HE2 LYS 672 -20.985 -16.040 -26.721 157 HE3 LYS 672 HE1 LYS 672 -22.651 -16.411 -27.169 158 HZ1 LYS 672 HZ1 LYS 672 -23.400 -14.760 -25.568 159 HZ2 LYS 672 HZ2 LYS 672 -22.387 -14.075 -26.728 160 HZ3 LYS 672 HZ3 LYS 672 -21.801 -14.383 -25.173 161 HA PRO 673 HA PRO 673 -15.345 -18.090 -27.135 162 HB2 PRO 673 HB2 PRO 673 -16.361 -15.585 -28.502 163 HB3 PRO 673 HB1 PRO 673 -15.372 -16.901 -29.158 164 HG2 PRO 673 HG2 PRO 673 -17.964 -16.779 -29.750 165 HG3 PRO 673 HG1 PRO 673 -17.217 -18.347 -29.375 166 HD2 PRO 673 HD2 PRO 673 -18.962 -16.603 -27.632 167 HD3 PRO 673 HD1 PRO 673 -18.958 -18.371 -27.806 168 H ARG 674 HN ARG 674 -13.526 -16.987 -26.379 169 HA ARG 674 HA ARG 674 -13.837 -14.571 -24.760 170 HB2 ARG 674 HB2 ARG 674 -12.717 -15.926 -22.775 171 HB3 ARG 674 HB1 ARG 674 -14.453 -15.979 -23.023 172 HG2 ARG 674 HG2 ARG 674 -14.037 -18.210 -22.687 173 HG3 ARG 674 HG1 ARG 674 -13.930 -18.132 -24.436 174 HD2 ARG 674 HD2 ARG 674 -12.076 -19.408 -23.936 175 HD3 ARG 674 HD1 ARG 674 -11.340 -17.809 -23.954 176 HE ARG 674 HE ARG 674 -12.163 -18.265 -21.348 177 HH11 ARG 674 HH11 ARG 674 -9.854 -19.717 -23.555 178 HH12 ARG 674 HH12 ARG 674 -8.854 -20.336 -22.272 179 HH21 ARG 674 HH21 ARG 674 -10.829 -19.039 -19.699 180 HH22 ARG 674 HH22 ARG 674 -9.389 -19.935 -20.093 181 H VAL 675 HN VAL 675 -12.054 -13.377 -24.607 182 HA VAL 675 HA VAL 675 -9.544 -14.339 -25.826 183 HB VAL 675 HB VAL 675 -9.038 -11.932 -26.313 184 HG11 VAL 675 HG11 VAL 675 -11.625 -12.981 -27.508 185 HG12 VAL 675 HG12 VAL 675 -9.989 -13.355 -28.050 186 HG13 VAL 675 HG13 VAL 675 -10.612 -11.715 -28.208 187 HG21 VAL 675 HG21 VAL 675 -10.460 -10.828 -24.622 188 HG22 VAL 675 HG22 VAL 675 -11.911 -11.405 -25.441 189 HG23 VAL 675 HG23 VAL 675 -10.846 -10.246 -26.241 190 H GLN 676 HN GLN 676 -8.041 -14.748 -24.447 191 HA GLN 676 HA GLN 676 -7.921 -13.489 -21.802 192 HB2 GLN 676 HB2 GLN 676 -6.754 -16.005 -23.035 193 HB3 GLN 676 HB1 GLN 676 -5.991 -15.314 -21.607 194 HG2 GLN 676 HG2 GLN 676 -7.617 -17.108 -21.058 195 HG3 GLN 676 HG1 GLN 676 -8.008 -15.568 -20.300 196 HE21 GLN 676 HE21 GLN 676 -10.184 -15.857 -20.040 197 HE22 GLN 676 HE22 GLN 676 -11.300 -16.060 -21.340 198 H CYS 677 HN CYS 677 -7.026 -11.514 -21.971 199 HA CYS 677 HA CYS 677 -5.198 -10.805 -24.081 200 HB2 CYS 677 HB2 CYS 677 -6.908 -9.217 -23.326 201 HB3 CYS 677 HB1 CYS 677 -6.232 -9.213 -21.703 202 H LEU 678 HN LEU 678 -3.438 -12.075 -23.734 203 HA LEU 678 HA LEU 678 -2.051 -12.627 -21.399 204 HB2 LEU 678 HB2 LEU 678 -0.162 -13.280 -22.971 205 HB3 LEU 678 HB1 LEU 678 -1.725 -13.994 -23.298 206 HG LEU 678 HG LEU 678 -1.944 -11.972 -25.041 207 HD11 LEU 678 HD11 LEU 678 0.140 -10.835 -24.457 208 HD12 LEU 678 HD12 LEU 678 0.154 -11.372 -26.133 209 HD13 LEU 678 HD13 LEU 678 1.068 -12.267 -24.916 210 HD21 LEU 678 HD21 LEU 678 -2.036 -14.342 -25.666 211 HD22 LEU 678 HD22 LEU 678 -0.273 -14.432 -25.658 212 HD23 LEU 678 HD23 LEU 678 -1.103 -13.411 -26.837 213 H LYS 679 HN LYS 679 -1.902 -9.737 -23.293 214 HA LYS 679 HA LYS 679 0.629 -8.734 -22.620 215 HB2 LYS 679 HB2 LYS 679 -0.765 -7.941 -24.512 216 HB3 LYS 679 HB1 LYS 679 -1.906 -7.230 -23.379 217 HG2 LYS 679 HG2 LYS 679 -0.306 -5.574 -22.663 218 HG3 LYS 679 HG1 LYS 679 1.007 -6.386 -23.518 219 HD2 LYS 679 HD2 LYS 679 -1.386 -5.036 -24.846 220 HD3 LYS 679 HD1 LYS 679 0.230 -4.338 -24.706 221 HE2 LYS 679 HE2 LYS 679 -0.534 -6.840 -26.247 222 HE3 LYS 679 HE1 LYS 679 -0.070 -5.289 -26.935 223 HZ1 LYS 679 HZ1 LYS 679 1.679 -7.125 -25.375 224 HZ2 LYS 679 HZ2 LYS 679 2.142 -5.594 -25.920 225 HZ3 LYS 679 HZ3 LYS 679 1.772 -6.809 -27.035 226 H CYS 680 HN CYS 680 -2.524 -8.392 -20.955 227 HA CYS 680 HA CYS 680 -1.110 -7.196 -18.623 228 HB2 CYS 680 HB2 CYS 680 -2.984 -5.722 -18.169 229 HB3 CYS 680 HB1 CYS 680 -2.506 -5.478 -19.845 230 H HIS 681 HN HIS 681 -2.296 -9.928 -19.593 231 HA HIS 681 HA HIS 681 -3.274 -11.793 -18.781 232 HB2 HIS 681 HB2 HIS 681 -2.483 -10.586 -16.100 233 HB3 HIS 681 HB1 HIS 681 -2.898 -12.276 -16.362 234 HD1 HIS 681 HD1 HIS 681 -0.075 -9.967 -16.411 235 HD2 HIS 681 HD2 HIS 681 -0.988 -13.633 -18.146 236 HE1 HIS 681 HE1 HIS 681 2.111 -10.890 -17.228 237 HE2 HIS 681 HE2 HIS 681 1.540 -13.115 -18.263 238 H LEU 682 HN LEU 682 -5.124 -9.730 -19.366 239 HA LEU 682 HA LEU 682 -7.148 -9.794 -17.194 240 HB2 LEU 682 HB2 LEU 682 -6.234 -7.559 -18.057 241 HB3 LEU 682 HB1 LEU 682 -6.989 -7.913 -19.595 242 HG LEU 682 HG LEU 682 -8.211 -6.253 -18.120 243 HD11 LEU 682 HD11 LEU 682 -9.387 -7.367 -19.945 244 HD12 LEU 682 HD12 LEU 682 -10.457 -7.060 -18.580 245 HD13 LEU 682 HD13 LEU 682 -9.838 -8.690 -18.866 246 HD21 LEU 682 HD21 LEU 682 -7.825 -7.312 -15.950 247 HD22 LEU 682 HD22 LEU 682 -8.861 -8.667 -16.411 248 HD23 LEU 682 HD23 LEU 682 -9.544 -7.048 -16.239 249 H TRP 683 HN TRP 683 -8.783 -11.169 -17.540 250 HA TRP 683 HA TRP 683 -9.046 -12.506 -20.120 251 HB2 TRP 683 HB2 TRP 683 -10.734 -13.071 -17.649 252 HB3 TRP 683 HB1 TRP 683 -10.357 -14.155 -18.983 253 HD1 TRP 683 HD1 TRP 683 -9.839 -14.548 -15.709 254 HE1 TRP 683 HE1 TRP 683 -7.547 -15.385 -14.978 255 HE3 TRP 683 HE3 TRP 683 -7.069 -13.291 -19.864 256 HZ2 TRP 683 HZ2 TRP 683 -4.931 -15.491 -15.946 257 HZ3 TRP 683 HZ3 TRP 683 -4.667 -13.799 -19.856 258 HH2 TRP 683 HH2 TRP 683 -3.615 -14.879 -17.931 259 H GLN 684 HN GLN 684 -10.791 -12.275 -21.466 260 HA GLN 684 HA GLN 684 -13.177 -10.823 -20.629 261 HB2 GLN 684 HB2 GLN 684 -11.182 -9.357 -21.805 262 HB3 GLN 684 HB1 GLN 684 -12.009 -9.910 -23.248 263 HG2 GLN 684 HG2 GLN 684 -13.599 -8.324 -22.998 264 HG3 GLN 684 HG1 GLN 684 -14.001 -8.912 -21.393 265 HE21 GLN 684 HE21 GLN 684 -12.713 -8.081 -19.595 266 HE22 GLN 684 HE22 GLN 684 -12.046 -6.506 -19.685 267 H HIS 685 HN HIS 685 -14.866 -10.898 -22.383 268 HA HIS 685 HA HIS 685 -14.871 -13.409 -23.866 269 HB2 HIS 685 HB2 HIS 685 -16.925 -11.196 -23.555 270 HB3 HIS 685 HB1 HIS 685 -17.174 -12.555 -24.635 271 HD2 HIS 685 HD2 HIS 685 -17.150 -15.133 -23.171 272 HE1 HIS 685 HE1 HIS 685 -18.696 -13.209 -19.727 273 HE2 HIS 685 HE2 HIS 685 -18.485 -15.399 -20.977 274 H ALA 686 HN ALA 686 -14.802 -13.581 -26.086 275 HA ALA 686 HA ALA 686 -13.395 -11.711 -27.644 276 HB1 ALA 686 HB1 ALA 686 -15.147 -14.022 -28.550 277 HB2 ALA 686 HB2 ALA 686 -13.442 -14.132 -28.111 278 HB3 ALA 686 HB3 ALA 686 -13.927 -13.202 -29.531 279 H LYS 687 HN LYS 687 -16.861 -12.463 -27.417 280 HA LYS 687 HA LYS 687 -17.697 -10.489 -29.346 281 HB2 LYS 687 HB2 LYS 687 -19.103 -12.435 -27.506 282 HB3 LYS 687 HB1 LYS 687 -20.035 -11.120 -28.196 283 HG2 LYS 687 HG2 LYS 687 -20.309 -13.115 -29.547 284 HG3 LYS 687 HG1 LYS 687 -19.464 -11.875 -30.471 285 HD2 LYS 687 HD2 LYS 687 -17.296 -13.046 -29.954 286 HD3 LYS 687 HD1 LYS 687 -18.223 -14.327 -29.163 287 HE2 LYS 687 HE2 LYS 687 -17.616 -14.967 -31.450 288 HE3 LYS 687 HE1 LYS 687 -19.366 -14.805 -31.307 289 HZ1 LYS 687 HZ1 LYS 687 -17.558 -12.715 -32.411 290 HZ2 LYS 687 HZ2 LYS 687 -19.251 -12.668 -32.372 291 HZ3 LYS 687 HZ3 LYS 687 -18.460 -13.805 -33.340 292 H CYS 688 HN CYS 688 -16.528 -10.075 -26.270 293 HA CYS 688 HA CYS 688 -18.149 -7.669 -25.705 294 HB2 CYS 688 HB2 CYS 688 -16.159 -9.182 -23.983 295 HB3 CYS 688 HB1 CYS 688 -16.879 -7.646 -23.514 296 H VAL 689 HN VAL 689 -15.350 -8.510 -27.363 297 HA VAL 689 HA VAL 689 -14.162 -5.806 -27.046 298 HB VAL 689 HB VAL 689 -11.926 -6.670 -27.316 299 HG11 VAL 689 HG11 VAL 689 -13.369 -8.440 -25.308 300 HG12 VAL 689 HG12 VAL 689 -12.795 -6.799 -25.018 301 HG13 VAL 689 HG13 VAL 689 -11.636 -8.094 -25.323 302 HG21 VAL 689 HG21 VAL 689 -11.395 -9.078 -27.612 303 HG22 VAL 689 HG22 VAL 689 -12.333 -8.442 -28.963 304 HG23 VAL 689 HG23 VAL 689 -13.121 -9.438 -27.739 305 H ASN 690 HN ASN 690 -16.054 -7.398 -29.018 306 HA ASN 690 HA ASN 690 -16.510 -7.719 -31.188 307 HB2 ASN 690 HB2 ASN 690 -16.309 -5.229 -31.298 308 HB3 ASN 690 HB1 ASN 690 -14.615 -5.389 -31.738 309 HD21 ASN 690 HD21 ASN 690 -17.415 -7.282 -32.890 310 HD22 ASN 690 HD22 ASN 690 -17.277 -6.819 -34.542 311 H TYR 691 HN TYR 691 -15.604 -9.750 -31.169 312 HA TYR 691 HA TYR 691 -13.483 -10.435 -32.944 313 HB2 TYR 691 HB2 TYR 691 -12.298 -9.478 -30.821 314 HB3 TYR 691 HB1 TYR 691 -12.886 -10.896 -29.977 315 HD1 TYR 691 HD1 TYR 691 -10.521 -9.672 -32.583 316 HD2 TYR 691 HD2 TYR 691 -11.743 -13.029 -30.249 317 HE1 TYR 691 HE1 TYR 691 -8.430 -10.836 -33.152 318 HE2 TYR 691 HE2 TYR 691 -9.664 -14.175 -30.810 319 HH TYR 691 HH TYR 691 -7.008 -12.653 -32.201 320 H ASP 692 HN ASP 692 -13.049 -12.974 -32.507 321 HA ASP 692 HA ASP 692 -15.390 -14.367 -31.468 322 HB2 ASP 692 HB2 ASP 692 -15.790 -15.533 -33.682 323 HB3 ASP 692 HB1 ASP 692 -16.231 -13.827 -33.651 324 H GLU 693 HN GLU 693 -15.176 -16.830 -32.017 325 HA GLU 693 HA GLU 693 -12.701 -17.622 -30.775 326 HB2 GLU 693 HB2 GLU 693 -13.683 -19.823 -30.542 327 HB3 GLU 693 HB1 GLU 693 -14.871 -18.611 -30.116 328 HG2 GLU 693 HG2 GLU 693 -16.213 -20.000 -31.337 329 HG3 GLU 693 HG1 GLU 693 -15.648 -18.954 -32.642 330 H LYS 694 HN LYS 694 -13.783 -17.458 -34.037 331 HA LYS 694 HA LYS 694 -12.320 -19.593 -35.200 332 HB2 LYS 694 HB2 LYS 694 -13.169 -16.981 -36.523 333 HB3 LYS 694 HB1 LYS 694 -12.572 -18.393 -37.372 334 HG2 LYS 694 HG2 LYS 694 -14.908 -18.407 -37.688 335 HG3 LYS 694 HG1 LYS 694 -14.598 -19.655 -36.485 336 HD2 LYS 694 HD2 LYS 694 -15.412 -18.228 -34.698 337 HD3 LYS 694 HD1 LYS 694 -15.497 -16.838 -35.785 338 HE2 LYS 694 HE2 LYS 694 -17.205 -19.342 -36.008 339 HE3 LYS 694 HE1 LYS 694 -17.731 -17.796 -35.339 340 HZ1 LYS 694 HZ1 LYS 694 -16.799 -18.209 -38.127 341 HZ2 LYS 694 HZ2 LYS 694 -17.403 -16.770 -37.473 342 HZ3 LYS 694 HZ3 LYS 694 -18.418 -18.112 -37.648 343 H ASN 695 HN ASN 695 -11.613 -16.067 -35.298 344 HA ASN 695 HA ASN 695 -8.862 -16.501 -36.001 345 HB2 ASN 695 HB2 ASN 695 -8.676 -13.942 -35.680 346 HB3 ASN 695 HB1 ASN 695 -9.703 -14.548 -36.967 347 HD21 ASN 695 HD21 ASN 695 -10.599 -14.361 -33.526 348 HD22 ASN 695 HD22 ASN 695 -11.850 -13.203 -33.768 349 H LEU 696 HN LEU 696 -10.494 -16.469 -33.018 350 HA LEU 696 HA LEU 696 -8.438 -15.762 -31.208 351 HB2 LEU 696 HB2 LEU 696 -10.771 -16.137 -30.522 352 HB3 LEU 696 HB1 LEU 696 -10.659 -17.816 -30.996 353 HG LEU 696 HG LEU 696 -8.880 -18.071 -29.140 354 HD11 LEU 696 HD11 LEU 696 -8.978 -16.463 -27.301 355 HD12 LEU 696 HD12 LEU 696 -10.053 -15.426 -28.243 356 HD13 LEU 696 HD13 LEU 696 -8.396 -15.707 -28.780 357 HD21 LEU 696 HD21 LEU 696 -11.748 -17.456 -28.346 358 HD22 LEU 696 HD22 LEU 696 -10.588 -18.391 -27.400 359 HD23 LEU 696 HD23 LEU 696 -11.144 -19.001 -28.955 360 H LYS 697 HN LYS 697 -9.240 -18.782 -32.867 361 HA LYS 697 HA LYS 697 -7.248 -20.386 -31.542 362 HB2 LYS 697 HB2 LYS 697 -9.587 -20.850 -33.205 363 HB3 LYS 697 HB1 LYS 697 -8.244 -21.773 -33.861 364 HG2 LYS 697 HG2 LYS 697 -9.448 -23.188 -32.346 365 HG3 LYS 697 HG1 LYS 697 -7.913 -22.785 -31.576 366 HD2 LYS 697 HD2 LYS 697 -9.484 -22.566 -29.823 367 HD3 LYS 697 HD1 LYS 697 -9.256 -20.904 -30.373 368 HE2 LYS 697 HE2 LYS 697 -11.634 -21.297 -30.042 369 HE3 LYS 697 HE1 LYS 697 -11.311 -21.117 -31.764 370 HZ1 LYS 697 HZ1 LYS 697 -12.836 -22.931 -31.311 371 HZ2 LYS 697 HZ2 LYS 697 -11.664 -23.711 -30.371 372 HZ3 LYS 697 HZ3 LYS 697 -11.413 -23.494 -32.029 373 H ILE 698 HN ILE 698 -6.711 -18.065 -33.811 374 HA ILE 698 HA ILE 698 -4.248 -19.415 -34.733 375 HB ILE 698 HB ILE 698 -4.531 -18.101 -37.005 376 HG12 ILE 698 HG12 ILE 698 -7.437 -18.348 -36.119 377 HG13 ILE 698 HG11 ILE 698 -6.569 -16.847 -36.398 378 HG21 ILE 698 HG21 ILE 698 -5.594 -20.071 -38.063 379 HG22 ILE 698 HG22 ILE 698 -6.126 -20.637 -36.479 380 HG23 ILE 698 HG23 ILE 698 -4.406 -20.552 -36.851 381 HD11 ILE 698 HD11 ILE 698 -8.076 -17.308 -38.213 382 HD12 ILE 698 HD12 ILE 698 -7.337 -18.884 -38.483 383 HD13 ILE 698 HD13 ILE 698 -6.413 -17.411 -38.794 384 H LYS 699 HN LYS 699 -5.868 -16.202 -34.749 385 HA LYS 699 HA LYS 699 -3.333 -14.790 -34.725 386 HB2 LYS 699 HB2 LYS 699 -6.225 -13.854 -34.746 387 HB3 LYS 699 HB1 LYS 699 -4.849 -12.765 -34.859 388 HG2 LYS 699 HG2 LYS 699 -4.201 -13.642 -36.989 389 HG3 LYS 699 HG1 LYS 699 -5.265 -15.029 -36.815 390 HD2 LYS 699 HD2 LYS 699 -6.215 -13.446 -38.415 391 HD3 LYS 699 HD1 LYS 699 -7.235 -13.556 -36.976 392 HE2 LYS 699 HE2 LYS 699 -6.381 -11.447 -36.147 393 HE3 LYS 699 HE1 LYS 699 -5.177 -11.370 -37.436 394 HZ1 LYS 699 HZ1 LYS 699 -7.025 -11.234 -39.041 395 HZ2 LYS 699 HZ2 LYS 699 -6.992 -9.935 -37.957 396 HZ3 LYS 699 HZ3 LYS 699 -8.126 -11.170 -37.750 397 HA PRO 700 HA PRO 700 -3.167 -13.624 -30.261 398 HB2 PRO 700 HB2 PRO 700 -2.227 -11.006 -30.659 399 HB3 PRO 700 HB1 PRO 700 -1.208 -12.448 -30.592 400 HG2 PRO 700 HG2 PRO 700 -2.355 -11.058 -33.024 401 HG3 PRO 700 HG1 PRO 700 -0.685 -11.615 -32.733 402 HD2 PRO 700 HD2 PRO 700 -2.316 -13.066 -34.234 403 HD3 PRO 700 HD1 PRO 700 -1.296 -13.890 -33.028 404 H PHE 701 HN PHE 701 -4.115 -11.989 -28.811 405 HA PHE 701 HA PHE 701 -6.484 -10.562 -29.742 406 HB2 PHE 701 HB2 PHE 701 -7.867 -12.001 -28.005 407 HB3 PHE 701 HB1 PHE 701 -7.611 -12.608 -29.634 408 HD1 PHE 701 HD1 PHE 701 -6.124 -14.516 -30.046 409 HD2 PHE 701 HD2 PHE 701 -6.783 -13.083 -26.065 410 HE1 PHE 701 HE1 PHE 701 -5.167 -16.594 -29.145 411 HE2 PHE 701 HE2 PHE 701 -5.827 -15.176 -25.172 412 HZ PHE 701 HZ PHE 701 -5.011 -16.924 -26.707 413 H TYR 702 HN TYR 702 -6.959 -8.860 -28.430 414 HA TYR 702 HA TYR 702 -5.822 -8.719 -25.701 415 HB2 TYR 702 HB2 TYR 702 -5.417 -6.505 -27.772 416 HB3 TYR 702 HB1 TYR 702 -4.807 -6.520 -26.119 417 HD1 TYR 702 HD2 TYR 702 -3.130 -8.457 -25.507 418 HD2 TYR 702 HD1 TYR 702 -4.047 -7.344 -29.532 419 HE1 TYR 702 HE2 TYR 702 -1.115 -9.625 -26.293 420 HE2 TYR 702 HE1 TYR 702 -2.033 -8.523 -30.312 421 HH TYR 702 HH TYR 702 0.085 -9.305 -29.505 422 H CYS 703 HN CYS 703 -6.782 -7.126 -24.353 423 HA CYS 703 HA CYS 703 -9.608 -6.691 -24.772 424 HB2 CYS 703 HB2 CYS 703 -9.670 -6.049 -22.458 425 HB3 CYS 703 HB1 CYS 703 -8.493 -7.351 -22.553 426 HA PRO 704 HA PRO 704 -9.626 -2.643 -26.561 427 HB2 PRO 704 HB2 PRO 704 -11.716 -1.343 -25.259 428 HB3 PRO 704 HB1 PRO 704 -11.925 -2.564 -26.519 429 HG2 PRO 704 HG2 PRO 704 -11.992 -2.918 -23.523 430 HG3 PRO 704 HG1 PRO 704 -13.118 -3.546 -24.752 431 HD2 PRO 704 HD2 PRO 704 -11.229 -5.126 -23.722 432 HD3 PRO 704 HD1 PRO 704 -11.609 -5.205 -25.456 433 H HIS 705 HN HIS 705 -9.442 -2.592 -22.993 434 HA HIS 705 HA HIS 705 -8.737 0.132 -22.688 435 HB2 HIS 705 HB2 HIS 705 -9.416 -1.295 -20.763 436 HB3 HIS 705 HB1 HIS 705 -7.902 -2.186 -20.890 437 HD1 HIS 705 HD1 HIS 705 -5.835 -1.121 -19.798 438 HD2 HIS 705 HD2 HIS 705 -9.120 1.436 -19.836 439 HE1 HIS 705 HE1 HIS 705 -5.175 0.840 -18.376 440 HE2 HIS 705 HE2 HIS 705 -7.208 2.325 -18.341 441 H CYS 706 HN CYS 706 -6.752 -2.742 -23.350 442 HA CYS 706 HA CYS 706 -4.208 -1.485 -23.284 443 HB2 CYS 706 HB2 CYS 706 -5.212 -4.000 -24.638 444 HB3 CYS 706 HB1 CYS 706 -3.567 -3.430 -24.911 445 H LEU 707 HN LEU 707 -6.606 -1.886 -25.866 446 HA LEU 707 HA LEU 707 -5.040 -1.009 -28.040 447 HB2 LEU 707 HB2 LEU 707 -8.055 -0.801 -27.731 448 HB3 LEU 707 HB1 LEU 707 -7.164 -0.748 -29.246 449 HG LEU 707 HG LEU 707 -7.393 -3.167 -27.403 450 HD11 LEU 707 HD11 LEU 707 -9.493 -2.718 -28.570 451 HD12 LEU 707 HD12 LEU 707 -8.740 -4.187 -29.185 452 HD13 LEU 707 HD13 LEU 707 -8.651 -2.693 -30.123 453 HD21 LEU 707 HD21 LEU 707 -5.222 -3.187 -28.523 454 HD22 LEU 707 HD22 LEU 707 -5.996 -2.950 -30.091 455 HD23 LEU 707 HD23 LEU 707 -6.262 -4.444 -29.189 456 H VAL 708 HN VAL 708 -7.248 0.739 -25.878 457 HA VAL 708 HA VAL 708 -6.909 3.326 -27.022 458 HB VAL 708 HB VAL 708 -7.786 2.630 -24.175 459 HG11 VAL 708 HG11 VAL 708 -8.908 4.846 -24.183 460 HG12 VAL 708 HG12 VAL 708 -8.224 5.189 -25.775 461 HG13 VAL 708 HG13 VAL 708 -7.163 5.001 -24.377 462 HG21 VAL 708 HG21 VAL 708 -10.107 2.801 -25.016 463 HG22 VAL 708 HG22 VAL 708 -9.224 1.520 -25.842 464 HG23 VAL 708 HG23 VAL 708 -9.505 3.059 -26.657 465 H ALA 709 HN ALA 709 -5.213 1.545 -24.469 466 HA ALA 709 HA ALA 709 -3.614 3.756 -23.550 467 HB1 ALA 709 HB1 ALA 709 -2.429 2.082 -22.194 468 HB2 ALA 709 HB2 ALA 709 -3.246 0.781 -23.064 469 HB3 ALA 709 HB3 ALA 709 -4.180 1.889 -22.059 470 H MET 710 HN MET 710 -3.372 1.680 -26.278 471 HA MET 710 HA MET 710 -0.510 2.127 -26.699 472 HB2 MET 710 HB2 MET 710 -2.587 0.760 -28.450 473 HB3 MET 710 HB1 MET 710 -0.889 0.917 -28.878 474 HG2 MET 710 HG2 MET 710 -0.328 -0.408 -26.813 475 HG3 MET 710 HG1 MET 710 -2.053 -0.689 -26.597 476 HE1 MET 710 HE1 MET 710 -2.799 -2.617 -30.061 477 HE2 MET 710 HE2 MET 710 -2.728 -0.860 -29.933 478 HE3 MET 710 HE3 MET 710 -3.559 -1.802 -28.694 479 H GLU 711 HN GLU 711 -3.417 3.798 -27.355 480 HA GLU 711 HA GLU 711 -2.606 5.190 -29.719 481 HB2 GLU 711 HB2 GLU 711 -4.814 5.734 -27.696 482 HB3 GLU 711 HB1 GLU 711 -4.593 6.664 -29.173 483 HG2 GLU 711 HG2 GLU 711 -4.966 4.596 -30.507 484 HG3 GLU 711 HG1 GLU 711 -5.236 3.702 -29.011 485 HA PRO 712 HA PRO 712 0.066 8.302 -27.979 486 HB2 PRO 712 HB2 PRO 712 -1.162 10.349 -29.774 487 HB3 PRO 712 HB1 PRO 712 0.502 9.757 -29.717 488 HG2 PRO 712 HG2 PRO 712 -1.201 9.089 -31.716 489 HG3 PRO 712 HG1 PRO 712 0.061 7.984 -31.134 490 HD2 PRO 712 HD2 PRO 712 -2.899 7.944 -30.556 491 HD3 PRO 712 HD1 PRO 712 -1.776 6.596 -30.820 492 H VAL 713 HN VAL 713 0.116 9.991 -26.535 493 HA VAL 713 HA VAL 713 -0.493 11.153 -24.717 494 HB VAL 713 HB VAL 713 -1.753 13.194 -25.069 495 HG11 VAL 713 HG11 VAL 713 -0.494 14.143 -26.979 496 HG12 VAL 713 HG12 VAL 713 -0.081 12.514 -27.517 497 HG13 VAL 713 HG13 VAL 713 0.521 13.111 -25.971 498 HG21 VAL 713 HG21 VAL 713 -2.970 13.723 -27.155 499 HG22 VAL 713 HG22 VAL 713 -3.708 12.352 -26.323 500 HG23 VAL 713 HG23 VAL 713 -2.697 12.081 -27.742 501 H SER 714 HN SER 714 -2.032 8.662 -25.054 502 HA SER 714 HA SER 714 -4.596 9.198 -23.751 503 HB2 SER 714 HB2 SER 714 -4.375 7.438 -25.542 504 HB3 SER 714 HB1 SER 714 -3.323 6.516 -24.471 505 HG SER 714 HG SER 714 -5.651 5.966 -24.502 506 H THR 715 HN THR 715 -3.309 10.263 -22.039 507 HA THR 715 HA THR 715 -2.995 8.646 -19.703 508 HB THR 715 HB THR 715 -0.775 8.243 -20.805 509 HG1 THR 715 HG1 THR 715 0.195 8.321 -18.910 510 HG21 THR 715 HG21 THR 715 -0.524 10.383 -22.012 511 HG22 THR 715 HG22 THR 715 0.878 10.056 -20.991 512 HG23 THR 715 HG23 THR 715 -0.330 11.232 -20.475 513 H ARG 716 HN ARG 716 -1.814 10.339 -17.987 514 HA ARG 716 HA ARG 716 -2.071 12.143 -16.678 515 HB2 ARG 716 HB2 ARG 716 -2.377 13.613 -19.324 516 HB3 ARG 716 HB1 ARG 716 -2.087 14.376 -17.762 517 HG2 ARG 716 HG2 ARG 716 0.046 12.910 -17.651 518 HG3 ARG 716 HG1 ARG 716 -0.220 12.620 -19.370 519 HD2 ARG 716 HD2 ARG 716 0.116 15.323 -18.074 520 HD3 ARG 716 HD1 ARG 716 1.375 14.454 -18.950 521 HE ARG 716 HE ARG 716 -0.870 14.774 -20.634 522 HH11 ARG 716 HH11 ARG 716 1.719 16.706 -19.226 523 HH12 ARG 716 HH12 ARG 716 1.638 17.921 -20.464 524 HH21 ARG 716 HH21 ARG 716 -0.946 16.379 -22.248 525 HH22 ARG 716 HH22 ARG 716 0.131 17.737 -22.170 Start of MODEL 18 1 H PHE 652 HT1 PHE 652 -6.960 -2.181 0.034 2 HA PHE 652 HA PHE 652 -6.526 -0.784 -2.534 3 HB2 PHE 652 HB2 PHE 652 -5.611 -0.056 0.292 4 HB3 PHE 652 HB1 PHE 652 -5.206 0.837 -1.171 5 HD1 PHE 652 HD1 PHE 652 -7.018 2.042 -2.433 6 HD2 PHE 652 HD2 PHE 652 -7.740 0.282 1.392 7 HE1 PHE 652 HE1 PHE 652 -9.083 3.362 -2.209 8 HE2 PHE 652 HE2 PHE 652 -9.804 1.603 1.609 9 HZ PHE 652 HZ PHE 652 -10.480 3.141 -0.191 10 H ASN 653 HN ASN 653 -4.937 -2.302 0.282 11 HA ASN 653 HA ASN 653 -2.482 -2.876 -1.092 12 HB2 ASN 653 HB2 ASN 653 -3.554 -3.982 1.544 13 HB3 ASN 653 HB1 ASN 653 -1.906 -4.174 0.955 14 HD21 ASN 653 HD21 ASN 653 -0.570 -2.311 0.802 15 HD22 ASN 653 HD22 ASN 653 -0.866 -0.925 1.792 16 H THR 654 HN THR 654 -2.810 -4.161 -2.878 17 HA THR 654 HA THR 654 -2.927 -6.973 -2.436 18 HB THR 654 HB THR 654 -5.360 -6.661 -2.487 19 HG1 THR 654 HG1 THR 654 -5.780 -8.075 -4.326 20 HG21 THR 654 HG21 THR 654 -5.008 -5.461 -5.261 21 HG22 THR 654 HG22 THR 654 -5.513 -4.582 -3.817 22 HG23 THR 654 HG23 THR 654 -6.552 -5.843 -4.485 23 H SER 655 HN SER 655 -1.841 -8.049 -4.002 24 HA SER 655 HA SER 655 -0.687 -6.647 -6.261 25 HB2 SER 655 HB2 SER 655 0.653 -8.325 -5.015 26 HB3 SER 655 HB1 SER 655 -0.510 -9.583 -5.419 27 HG SER 655 HG SER 655 0.148 -9.529 -7.516 28 H ASP 656 HN ASP 656 -3.341 -8.789 -5.595 29 HA ASP 656 HA ASP 656 -3.756 -9.730 -8.286 30 HB2 ASP 656 HB2 ASP 656 -5.494 -9.974 -5.790 31 HB3 ASP 656 HB1 ASP 656 -5.827 -10.777 -7.326 32 H TYR 657 HN TYR 657 -4.783 -8.719 -9.814 33 HA TYR 657 HA TYR 657 -6.403 -6.320 -9.312 34 HB2 TYR 657 HB2 TYR 657 -5.423 -7.487 -11.964 35 HB3 TYR 657 HB1 TYR 657 -6.109 -5.884 -11.707 36 HD1 TYR 657 HD2 TYR 657 -4.805 -4.316 -10.031 37 HD2 TYR 657 HD1 TYR 657 -3.042 -7.743 -11.889 38 HE1 TYR 657 HE2 TYR 657 -2.567 -3.418 -9.568 39 HE2 TYR 657 HE1 TYR 657 -0.805 -6.835 -11.409 40 HH TYR 657 HH TYR 657 0.243 -4.655 -10.982 41 H ARG 658 HN ARG 658 -8.346 -6.159 -10.974 42 HA ARG 658 HA ARG 658 -10.013 -8.552 -10.558 43 HB2 ARG 658 HB2 ARG 658 -10.848 -5.768 -11.500 44 HB3 ARG 658 HB1 ARG 658 -11.941 -7.108 -11.178 45 HG2 ARG 658 HG2 ARG 658 -12.090 -5.730 -9.256 46 HG3 ARG 658 HG1 ARG 658 -11.064 -7.079 -8.765 47 HD2 ARG 658 HD2 ARG 658 -9.080 -5.552 -9.382 48 HD3 ARG 658 HD1 ARG 658 -10.258 -4.240 -9.418 49 HE ARG 658 HE ARG 658 -10.498 -5.593 -6.970 50 HH11 ARG 658 HH11 ARG 658 -8.242 -3.476 -8.639 51 HH12 ARG 658 HH12 ARG 658 -7.473 -2.937 -7.182 52 HH21 ARG 658 HH21 ARG 658 -9.444 -4.937 -5.083 53 HH22 ARG 658 HH22 ARG 658 -8.154 -3.782 -5.153 54 H PHE 659 HN PHE 659 -8.422 -9.461 -12.139 55 HA PHE 659 HA PHE 659 -8.880 -9.008 -14.935 56 HB2 PHE 659 HB2 PHE 659 -7.633 -11.417 -14.980 57 HB3 PHE 659 HB1 PHE 659 -6.771 -9.902 -14.791 58 HD1 PHE 659 HD1 PHE 659 -8.399 -12.561 -12.665 59 HD2 PHE 659 HD2 PHE 659 -5.189 -9.757 -13.057 60 HE1 PHE 659 HE1 PHE 659 -7.421 -13.366 -10.548 61 HE2 PHE 659 HE2 PHE 659 -4.217 -10.577 -10.947 62 HZ PHE 659 HZ PHE 659 -5.332 -12.372 -9.690 63 H GLU 660 HN GLU 660 -11.054 -9.098 -15.111 64 HA GLU 660 HA GLU 660 -12.190 -11.705 -15.627 65 HB2 GLU 660 HB2 GLU 660 -12.685 -10.830 -13.085 66 HB3 GLU 660 HB1 GLU 660 -13.938 -9.915 -13.902 67 HG2 GLU 660 HG2 GLU 660 -13.641 -12.934 -13.932 68 HG3 GLU 660 HG1 GLU 660 -14.748 -12.028 -12.907 69 H CYS 661 HN CYS 661 -14.034 -11.480 -16.999 70 HA CYS 661 HA CYS 661 -13.800 -9.469 -18.929 71 HB2 CYS 661 HB2 CYS 661 -14.704 -11.758 -19.336 72 HB3 CYS 661 HB1 CYS 661 -16.194 -11.276 -18.512 73 H ILE 662 HN ILE 662 -15.030 -7.678 -19.458 74 HA ILE 662 HA ILE 662 -15.837 -6.064 -17.294 75 HB ILE 662 HB ILE 662 -16.472 -4.373 -19.049 76 HG12 ILE 662 HG12 ILE 662 -15.702 -6.587 -21.022 77 HG13 ILE 662 HG11 ILE 662 -17.338 -5.995 -20.758 78 HG21 ILE 662 HG21 ILE 662 -14.181 -4.069 -19.949 79 HG22 ILE 662 HG22 ILE 662 -13.761 -5.710 -19.452 80 HG23 ILE 662 HG23 ILE 662 -14.154 -4.492 -18.235 81 HD11 ILE 662 HD11 ILE 662 -16.703 -3.821 -21.638 82 HD12 ILE 662 HD12 ILE 662 -16.359 -5.113 -22.787 83 HD13 ILE 662 HD13 ILE 662 -15.045 -4.389 -21.863 84 H CYS 663 HN CYS 663 -17.804 -8.275 -19.136 85 HA CYS 663 HA CYS 663 -20.328 -6.929 -18.563 86 HB2 CYS 663 HB2 CYS 663 -21.412 -8.858 -19.608 87 HB3 CYS 663 HB1 CYS 663 -20.071 -8.316 -20.613 88 H GLY 664 HN GLY 664 -18.239 -9.104 -16.915 89 HA2 GLY 664 HA2 GLY 664 -18.300 -9.921 -14.771 90 HA3 GLY 664 HA1 GLY 664 -19.848 -9.134 -14.538 91 H GLU 665 HN GLU 665 -19.554 -11.357 -17.189 92 HA GLU 665 HA GLU 665 -21.534 -13.133 -15.972 93 HB2 GLU 665 HB2 GLU 665 -20.401 -13.079 -18.803 94 HB3 GLU 665 HB1 GLU 665 -21.704 -14.129 -18.250 95 HG2 GLU 665 HG2 GLU 665 -21.812 -11.097 -18.339 96 HG3 GLU 665 HG1 GLU 665 -22.498 -12.179 -19.550 97 H LEU 666 HN LEU 666 -18.702 -13.840 -18.034 98 HA LEU 666 HA LEU 666 -17.777 -16.057 -16.364 99 HB2 LEU 666 HB2 LEU 666 -18.900 -16.409 -19.190 100 HB3 LEU 666 HB1 LEU 666 -17.898 -17.624 -18.409 101 HG LEU 666 HG LEU 666 -20.639 -16.724 -17.409 102 HD11 LEU 666 HD11 LEU 666 -20.851 -17.899 -19.555 103 HD12 LEU 666 HD12 LEU 666 -21.489 -18.877 -18.239 104 HD13 LEU 666 HD13 LEU 666 -19.909 -19.257 -18.930 105 HD21 LEU 666 HD21 LEU 666 -19.209 -17.555 -15.592 106 HD22 LEU 666 HD22 LEU 666 -18.900 -19.042 -16.492 107 HD23 LEU 666 HD23 LEU 666 -20.529 -18.677 -15.917 108 H ASP 667 HN ASP 667 -15.880 -17.128 -17.512 109 HA ASP 667 HA ASP 667 -14.806 -15.840 -19.880 110 HB2 ASP 667 HB2 ASP 667 -13.551 -14.618 -18.145 111 HB3 ASP 667 HB1 ASP 667 -13.134 -16.130 -17.331 112 H GLN 668 HN GLN 668 -15.310 -17.627 -20.966 113 HA GLN 668 HA GLN 668 -13.563 -19.913 -20.827 114 HB2 GLN 668 HB2 GLN 668 -15.682 -21.498 -20.916 115 HB3 GLN 668 HB1 GLN 668 -15.080 -20.958 -19.364 116 HG2 GLN 668 HG2 GLN 668 -17.542 -20.935 -19.500 117 HG3 GLN 668 HG1 GLN 668 -16.878 -19.347 -19.140 118 HE21 GLN 668 HE21 GLN 668 -17.131 -17.693 -20.648 119 HE22 GLN 668 HE22 GLN 668 -18.175 -17.810 -22.019 120 H ILE 669 HN ILE 669 -14.571 -21.559 -22.691 121 HA ILE 669 HA ILE 669 -15.214 -19.847 -25.037 122 HB ILE 669 HB ILE 669 -13.971 -22.638 -25.164 123 HG12 ILE 669 HG12 ILE 669 -12.502 -19.965 -25.272 124 HG13 ILE 669 HG11 ILE 669 -12.413 -21.122 -23.950 125 HG21 ILE 669 HG21 ILE 669 -14.159 -20.430 -27.262 126 HG22 ILE 669 HG22 ILE 669 -15.100 -21.923 -27.234 127 HG23 ILE 669 HG23 ILE 669 -13.358 -21.992 -27.476 128 HD11 ILE 669 HD11 ILE 669 -11.413 -21.553 -26.767 129 HD12 ILE 669 HD12 ILE 669 -11.337 -22.739 -25.462 130 HD13 ILE 669 HD13 ILE 669 -10.438 -21.228 -25.335 131 H ASP 670 HN ASP 670 -16.231 -22.488 -23.044 132 HA ASP 670 HA ASP 670 -17.437 -24.249 -24.810 133 HB2 ASP 670 HB2 ASP 670 -16.906 -24.715 -22.412 134 HB3 ASP 670 HB1 ASP 670 -18.279 -23.733 -21.932 135 H ARG 671 HN ARG 671 -19.209 -21.829 -22.819 136 HA ARG 671 HA ARG 671 -21.607 -22.133 -24.458 137 HB2 ARG 671 HB2 ARG 671 -21.720 -21.856 -21.936 138 HB3 ARG 671 HB1 ARG 671 -21.150 -20.205 -22.131 139 HG2 ARG 671 HG2 ARG 671 -23.595 -20.295 -21.835 140 HG3 ARG 671 HG1 ARG 671 -23.160 -19.623 -23.411 141 HD2 ARG 671 HD2 ARG 671 -23.624 -21.801 -24.474 142 HD3 ARG 671 HD1 ARG 671 -24.027 -22.495 -22.901 143 HE ARG 671 HE ARG 671 -25.818 -20.599 -22.929 144 HH11 ARG 671 HH11 ARG 671 -24.831 -22.457 -25.743 145 HH12 ARG 671 HH12 ARG 671 -26.412 -22.444 -26.451 146 HH21 ARG 671 HH21 ARG 671 -27.886 -20.590 -23.873 147 HH22 ARG 671 HH22 ARG 671 -28.141 -21.381 -25.392 148 H LYS 672 HN LYS 672 -19.729 -19.297 -23.360 149 HA LYS 672 HA LYS 672 -20.049 -18.046 -26.028 150 HB2 LYS 672 HB2 LYS 672 -19.754 -16.651 -23.341 151 HB3 LYS 672 HB1 LYS 672 -19.763 -15.865 -24.922 152 HG2 LYS 672 HG2 LYS 672 -22.116 -17.515 -23.969 153 HG3 LYS 672 HG1 LYS 672 -21.938 -15.817 -23.537 154 HD2 LYS 672 HD2 LYS 672 -23.355 -15.798 -25.443 155 HD3 LYS 672 HD1 LYS 672 -21.770 -15.342 -26.056 156 HE2 LYS 672 HE2 LYS 672 -21.419 -17.475 -27.015 157 HE3 LYS 672 HE1 LYS 672 -22.828 -18.167 -26.209 158 HZ1 LYS 672 HZ1 LYS 672 -24.242 -16.725 -27.547 159 HZ2 LYS 672 HZ2 LYS 672 -23.283 -17.704 -28.536 160 HZ3 LYS 672 HZ3 LYS 672 -22.889 -16.073 -28.323 161 HA PRO 673 HA PRO 673 -15.625 -18.602 -26.298 162 HB2 PRO 673 HB2 PRO 673 -15.016 -16.698 -28.215 163 HB3 PRO 673 HB1 PRO 673 -15.745 -18.262 -28.568 164 HG2 PRO 673 HG2 PRO 673 -17.067 -15.579 -28.258 165 HG3 PRO 673 HG1 PRO 673 -17.353 -16.833 -29.487 166 HD2 PRO 673 HD2 PRO 673 -19.006 -16.526 -27.363 167 HD3 PRO 673 HD1 PRO 673 -18.660 -18.133 -28.039 168 H ARG 674 HN ARG 674 -13.669 -17.728 -25.580 169 HA ARG 674 HA ARG 674 -13.768 -15.108 -24.218 170 HB2 ARG 674 HB2 ARG 674 -11.812 -15.888 -22.893 171 HB3 ARG 674 HB1 ARG 674 -13.217 -16.919 -22.672 172 HG2 ARG 674 HG2 ARG 674 -12.275 -18.703 -23.846 173 HG3 ARG 674 HG1 ARG 674 -11.134 -17.684 -24.707 174 HD2 ARG 674 HD2 ARG 674 -9.999 -19.100 -23.056 175 HD3 ARG 674 HD1 ARG 674 -9.805 -17.394 -22.673 176 HE ARG 674 HE ARG 674 -11.590 -17.715 -20.968 177 HH11 ARG 674 HH11 ARG 674 -9.814 -20.555 -22.026 178 HH12 ARG 674 HH12 ARG 674 -9.912 -21.333 -20.482 179 HH21 ARG 674 HH21 ARG 674 -11.701 -18.760 -18.945 180 HH22 ARG 674 HH22 ARG 674 -10.986 -20.328 -18.753 181 H VAL 675 HN VAL 675 -12.061 -13.632 -24.470 182 HA VAL 675 HA VAL 675 -9.698 -14.501 -26.017 183 HB VAL 675 HB VAL 675 -9.196 -12.106 -26.585 184 HG11 VAL 675 HG11 VAL 675 -10.164 -13.498 -28.304 185 HG12 VAL 675 HG12 VAL 675 -10.833 -11.874 -28.437 186 HG13 VAL 675 HG13 VAL 675 -11.793 -13.169 -27.722 187 HG21 VAL 675 HG21 VAL 675 -10.958 -10.385 -26.484 188 HG22 VAL 675 HG22 VAL 675 -10.550 -10.967 -24.869 189 HG23 VAL 675 HG23 VAL 675 -12.030 -11.516 -25.654 190 H GLN 676 HN GLN 676 -7.868 -14.307 -24.932 191 HA GLN 676 HA GLN 676 -7.915 -13.236 -22.191 192 HB2 GLN 676 HB2 GLN 676 -5.793 -14.889 -23.635 193 HB3 GLN 676 HB1 GLN 676 -5.839 -14.524 -21.912 194 HG2 GLN 676 HG2 GLN 676 -7.966 -16.139 -23.362 195 HG3 GLN 676 HG1 GLN 676 -6.588 -16.846 -22.519 196 HE21 GLN 676 HE21 GLN 676 -9.600 -15.057 -22.106 197 HE22 GLN 676 HE22 GLN 676 -9.810 -15.424 -20.431 198 H CYS 677 HN CYS 677 -5.587 -12.217 -21.663 199 HA CYS 677 HA CYS 677 -4.465 -10.658 -23.873 200 HB2 CYS 677 HB2 CYS 677 -6.311 -9.261 -22.985 201 HB3 CYS 677 HB1 CYS 677 -5.574 -9.308 -21.386 202 H LEU 678 HN LEU 678 -2.685 -11.901 -23.536 203 HA LEU 678 HA LEU 678 -1.327 -12.539 -21.227 204 HB2 LEU 678 HB2 LEU 678 0.655 -12.914 -22.723 205 HB3 LEU 678 HB1 LEU 678 -0.813 -13.710 -23.248 206 HG LEU 678 HG LEU 678 -0.189 -11.029 -24.491 207 HD11 LEU 678 HD11 LEU 678 1.271 -13.568 -25.320 208 HD12 LEU 678 HD12 LEU 678 2.005 -12.136 -24.595 209 HD13 LEU 678 HD13 LEU 678 1.284 -12.035 -26.198 210 HD21 LEU 678 HD21 LEU 678 -1.379 -13.588 -25.619 211 HD22 LEU 678 HD22 LEU 678 -1.151 -12.086 -26.516 212 HD23 LEU 678 HD23 LEU 678 -2.262 -12.131 -25.156 213 H LYS 679 HN LYS 679 -1.265 -9.540 -23.015 214 HA LYS 679 HA LYS 679 1.269 -8.599 -22.163 215 HB2 LYS 679 HB2 LYS 679 0.024 -7.944 -24.272 216 HB3 LYS 679 HB1 LYS 679 -1.029 -6.946 -23.275 217 HG2 LYS 679 HG2 LYS 679 0.863 -5.543 -22.614 218 HG3 LYS 679 HG1 LYS 679 1.983 -6.598 -23.477 219 HD2 LYS 679 HD2 LYS 679 -0.217 -4.921 -24.764 220 HD3 LYS 679 HD1 LYS 679 1.503 -4.519 -24.742 221 HE2 LYS 679 HE2 LYS 679 0.234 -6.919 -26.111 222 HE3 LYS 679 HE1 LYS 679 0.879 -5.483 -26.904 223 HZ1 LYS 679 HZ1 LYS 679 2.453 -7.288 -27.024 224 HZ2 LYS 679 HZ2 LYS 679 2.450 -7.472 -25.344 225 HZ3 LYS 679 HZ3 LYS 679 3.081 -6.066 -26.039 226 H CYS 680 HN CYS 680 -1.896 -8.450 -20.622 227 HA CYS 680 HA CYS 680 -0.633 -7.038 -18.348 228 HB2 CYS 680 HB2 CYS 680 -2.499 -5.568 -17.967 229 HB3 CYS 680 HB1 CYS 680 -2.083 -5.400 -19.668 230 H HIS 681 HN HIS 681 -1.693 -9.859 -19.212 231 HA HIS 681 HA HIS 681 -2.746 -11.690 -18.378 232 HB2 HIS 681 HB2 HIS 681 -2.053 -10.439 -15.684 233 HB3 HIS 681 HB1 HIS 681 -2.382 -12.142 -15.982 234 HD1 HIS 681 HD1 HIS 681 0.298 -9.598 -16.126 235 HD2 HIS 681 HD2 HIS 681 -0.255 -13.522 -17.363 236 HE1 HIS 681 HE1 HIS 681 2.590 -10.442 -16.714 237 HE2 HIS 681 HE2 HIS 681 2.200 -12.752 -17.636 238 H LEU 682 HN LEU 682 -4.716 -10.597 -19.298 239 HA LEU 682 HA LEU 682 -6.791 -9.992 -17.255 240 HB2 LEU 682 HB2 LEU 682 -5.839 -7.959 -18.547 241 HB3 LEU 682 HB1 LEU 682 -6.570 -8.627 -19.986 242 HG LEU 682 HG LEU 682 -7.856 -6.742 -18.981 243 HD11 LEU 682 HD11 LEU 682 -9.060 -8.378 -20.354 244 HD12 LEU 682 HD12 LEU 682 -10.083 -7.669 -19.110 245 HD13 LEU 682 HD13 LEU 682 -9.453 -9.308 -18.908 246 HD21 LEU 682 HD21 LEU 682 -7.348 -7.136 -16.632 247 HD22 LEU 682 HD22 LEU 682 -8.340 -8.597 -16.643 248 HD23 LEU 682 HD23 LEU 682 -9.087 -7.016 -16.891 249 H TRP 683 HN TRP 683 -8.573 -11.228 -17.480 250 HA TRP 683 HA TRP 683 -8.811 -13.034 -19.810 251 HB2 TRP 683 HB2 TRP 683 -10.404 -13.473 -17.276 252 HB3 TRP 683 HB1 TRP 683 -9.697 -14.655 -18.365 253 HD1 TRP 683 HD1 TRP 683 -9.380 -13.684 -14.974 254 HE1 TRP 683 HE1 TRP 683 -7.069 -14.109 -13.969 255 HE3 TRP 683 HE3 TRP 683 -6.704 -14.367 -19.284 256 HZ2 TRP 683 HZ2 TRP 683 -4.475 -14.664 -14.837 257 HZ3 TRP 683 HZ3 TRP 683 -4.304 -14.857 -19.092 258 HH2 TRP 683 HH2 TRP 683 -3.208 -14.999 -16.917 259 H GLN 684 HN GLN 684 -10.631 -12.875 -21.150 260 HA GLN 684 HA GLN 684 -12.954 -11.237 -20.382 261 HB2 GLN 684 HB2 GLN 684 -10.987 -9.769 -21.328 262 HB3 GLN 684 HB1 GLN 684 -11.372 -10.489 -22.879 263 HG2 GLN 684 HG2 GLN 684 -12.770 -8.738 -23.159 264 HG3 GLN 684 HG1 GLN 684 -13.854 -9.556 -22.046 265 HE21 GLN 684 HE21 GLN 684 -12.152 -9.012 -19.682 266 HE22 GLN 684 HE22 GLN 684 -12.333 -7.329 -19.355 267 H HIS 685 HN HIS 685 -14.629 -11.198 -22.309 268 HA HIS 685 HA HIS 685 -14.652 -13.758 -23.755 269 HB2 HIS 685 HB2 HIS 685 -16.774 -11.633 -23.400 270 HB3 HIS 685 HB1 HIS 685 -16.975 -12.933 -24.557 271 HD2 HIS 685 HD2 HIS 685 -16.492 -15.599 -22.905 272 HE1 HIS 685 HE1 HIS 685 -19.030 -13.808 -20.019 273 HE2 HIS 685 HE2 HIS 685 -18.265 -15.999 -21.041 274 H ALA 686 HN ALA 686 -14.918 -13.908 -26.018 275 HA ALA 686 HA ALA 686 -13.408 -12.140 -27.608 276 HB1 ALA 686 HB1 ALA 686 -14.134 -13.544 -29.495 277 HB2 ALA 686 HB2 ALA 686 -15.382 -14.275 -28.480 278 HB3 ALA 686 HB3 ALA 686 -13.678 -14.538 -28.108 279 H LYS 687 HN LYS 687 -16.945 -12.727 -27.549 280 HA LYS 687 HA LYS 687 -17.626 -10.747 -29.459 281 HB2 LYS 687 HB2 LYS 687 -19.175 -12.463 -27.542 282 HB3 LYS 687 HB1 LYS 687 -19.997 -11.050 -28.177 283 HG2 LYS 687 HG2 LYS 687 -20.525 -13.019 -29.518 284 HG3 LYS 687 HG1 LYS 687 -19.650 -11.822 -30.477 285 HD2 LYS 687 HD2 LYS 687 -17.541 -13.157 -30.101 286 HD3 LYS 687 HD1 LYS 687 -18.517 -14.388 -29.292 287 HE2 LYS 687 HE2 LYS 687 -18.766 -13.504 -32.189 288 HE3 LYS 687 HE1 LYS 687 -18.080 -15.024 -31.613 289 HZ1 LYS 687 HZ1 LYS 687 -20.274 -15.559 -30.678 290 HZ2 LYS 687 HZ2 LYS 687 -20.306 -15.388 -32.356 291 HZ3 LYS 687 HZ3 LYS 687 -20.908 -14.154 -31.369 292 H CYS 688 HN CYS 688 -16.919 -10.521 -26.099 293 HA CYS 688 HA CYS 688 -18.327 -8.073 -25.560 294 HB2 CYS 688 HB2 CYS 688 -16.256 -9.608 -23.982 295 HB3 CYS 688 HB1 CYS 688 -16.986 -8.105 -23.407 296 H VAL 689 HN VAL 689 -15.392 -8.765 -27.168 297 HA VAL 689 HA VAL 689 -14.394 -5.987 -26.786 298 HB VAL 689 HB VAL 689 -12.155 -6.690 -27.099 299 HG11 VAL 689 HG11 VAL 689 -13.006 -7.256 -24.862 300 HG12 VAL 689 HG12 VAL 689 -11.759 -8.398 -25.360 301 HG13 VAL 689 HG13 VAL 689 -13.460 -8.867 -25.423 302 HG21 VAL 689 HG21 VAL 689 -12.403 -8.205 -29.019 303 HG22 VAL 689 HG22 VAL 689 -13.107 -9.446 -27.984 304 HG23 VAL 689 HG23 VAL 689 -11.421 -8.971 -27.769 305 H ASN 690 HN ASN 690 -16.250 -7.609 -28.822 306 HA ASN 690 HA ASN 690 -16.753 -7.785 -31.009 307 HB2 ASN 690 HB2 ASN 690 -16.572 -5.287 -31.045 308 HB3 ASN 690 HB1 ASN 690 -14.857 -5.409 -31.412 309 HD21 ASN 690 HD21 ASN 690 -18.085 -5.575 -32.665 310 HD22 ASN 690 HD22 ASN 690 -17.665 -5.720 -34.338 311 H TYR 691 HN TYR 691 -15.753 -9.862 -30.974 312 HA TYR 691 HA TYR 691 -13.711 -10.399 -32.906 313 HB2 TYR 691 HB2 TYR 691 -12.449 -9.508 -30.796 314 HB3 TYR 691 HB1 TYR 691 -12.925 -10.998 -30.009 315 HD1 TYR 691 HD1 TYR 691 -10.799 -9.545 -32.713 316 HD2 TYR 691 HD2 TYR 691 -11.707 -13.042 -30.441 317 HE1 TYR 691 HE1 TYR 691 -8.702 -10.596 -33.469 318 HE2 TYR 691 HE2 TYR 691 -9.621 -14.073 -31.184 319 HH TYR 691 HH TYR 691 -7.135 -12.404 -32.625 320 H ASP 692 HN ASP 692 -13.142 -12.942 -32.648 321 HA ASP 692 HA ASP 692 -15.357 -14.474 -31.455 322 HB2 ASP 692 HB2 ASP 692 -15.861 -15.653 -33.547 323 HB3 ASP 692 HB1 ASP 692 -16.115 -13.922 -33.748 324 H GLU 693 HN GLU 693 -14.947 -16.944 -31.895 325 HA GLU 693 HA GLU 693 -12.299 -17.443 -30.818 326 HB2 GLU 693 HB2 GLU 693 -13.123 -19.684 -30.277 327 HB3 GLU 693 HB1 GLU 693 -14.160 -18.423 -29.653 328 HG2 GLU 693 HG2 GLU 693 -15.924 -19.464 -30.563 329 HG3 GLU 693 HG1 GLU 693 -15.288 -19.076 -32.155 330 H LYS 694 HN LYS 694 -13.782 -17.758 -33.910 331 HA LYS 694 HA LYS 694 -12.275 -19.995 -34.893 332 HB2 LYS 694 HB2 LYS 694 -13.779 -17.787 -36.366 333 HB3 LYS 694 HB1 LYS 694 -12.935 -19.080 -37.201 334 HG2 LYS 694 HG2 LYS 694 -15.236 -19.680 -37.147 335 HG3 LYS 694 HG1 LYS 694 -14.404 -20.740 -36.010 336 HD2 LYS 694 HD2 LYS 694 -15.214 -19.335 -34.127 337 HD3 LYS 694 HD1 LYS 694 -16.041 -18.275 -35.273 338 HE2 LYS 694 HE2 LYS 694 -17.608 -19.867 -34.225 339 HE3 LYS 694 HE1 LYS 694 -17.496 -20.145 -35.964 340 HZ1 LYS 694 HZ1 LYS 694 -16.002 -21.999 -35.530 341 HZ2 LYS 694 HZ2 LYS 694 -17.465 -22.218 -34.719 342 HZ3 LYS 694 HZ3 LYS 694 -16.093 -21.722 -33.866 343 H ASN 695 HN ASN 695 -11.906 -16.423 -35.321 344 HA ASN 695 HA ASN 695 -9.219 -16.739 -36.382 345 HB2 ASN 695 HB2 ASN 695 -9.118 -14.378 -36.674 346 HB3 ASN 695 HB1 ASN 695 -10.722 -14.862 -37.142 347 HD21 ASN 695 HD21 ASN 695 -11.318 -14.948 -34.056 348 HD22 ASN 695 HD22 ASN 695 -11.636 -13.300 -33.720 349 H LEU 696 HN LEU 696 -10.442 -16.891 -33.284 350 HA LEU 696 HA LEU 696 -8.284 -15.789 -31.755 351 HB2 LEU 696 HB2 LEU 696 -10.544 -16.358 -30.824 352 HB3 LEU 696 HB1 LEU 696 -10.194 -18.053 -31.071 353 HG LEU 696 HG LEU 696 -8.256 -17.766 -29.407 354 HD11 LEU 696 HD11 LEU 696 -9.710 -15.180 -28.804 355 HD12 LEU 696 HD12 LEU 696 -8.082 -15.330 -29.475 356 HD13 LEU 696 HD13 LEU 696 -8.417 -15.895 -27.842 357 HD21 LEU 696 HD21 LEU 696 -11.095 -17.389 -28.383 358 HD22 LEU 696 HD22 LEU 696 -9.728 -18.005 -27.449 359 HD23 LEU 696 HD23 LEU 696 -10.342 -18.929 -28.818 360 H LYS 697 HN LYS 697 -8.981 -18.983 -33.186 361 HA LYS 697 HA LYS 697 -6.715 -20.401 -32.289 362 HB2 LYS 697 HB2 LYS 697 -8.720 -20.778 -34.448 363 HB3 LYS 697 HB1 LYS 697 -7.162 -21.479 -34.851 364 HG2 LYS 697 HG2 LYS 697 -8.348 -23.241 -33.863 365 HG3 LYS 697 HG1 LYS 697 -7.269 -22.682 -32.586 366 HD2 LYS 697 HD2 LYS 697 -9.350 -23.025 -31.522 367 HD3 LYS 697 HD1 LYS 697 -9.239 -21.275 -31.735 368 HE2 LYS 697 HE2 LYS 697 -10.689 -21.427 -33.733 369 HE3 LYS 697 HE1 LYS 697 -10.809 -23.179 -33.524 370 HZ1 LYS 697 HZ1 LYS 697 -11.766 -21.104 -31.624 371 HZ2 LYS 697 HZ2 LYS 697 -11.857 -22.770 -31.360 372 HZ3 LYS 697 HZ3 LYS 697 -12.730 -22.067 -32.623 373 H ILE 698 HN ILE 698 -6.930 -17.944 -34.767 374 HA ILE 698 HA ILE 698 -4.331 -18.651 -35.985 375 HB ILE 698 HB ILE 698 -6.126 -16.340 -36.883 376 HG12 ILE 698 HG12 ILE 698 -6.455 -19.214 -37.881 377 HG13 ILE 698 HG11 ILE 698 -7.540 -18.434 -36.731 378 HG21 ILE 698 HG21 ILE 698 -5.101 -16.721 -39.088 379 HG22 ILE 698 HG22 ILE 698 -4.191 -18.092 -38.453 380 HG23 ILE 698 HG23 ILE 698 -3.860 -16.464 -37.859 381 HD11 ILE 698 HD11 ILE 698 -8.499 -18.382 -38.939 382 HD12 ILE 698 HD12 ILE 698 -7.065 -17.595 -39.593 383 HD13 ILE 698 HD13 ILE 698 -8.095 -16.737 -38.441 384 H LYS 699 HN LYS 699 -6.024 -15.774 -34.927 385 HA LYS 699 HA LYS 699 -3.695 -14.078 -35.016 386 HB2 LYS 699 HB2 LYS 699 -6.691 -13.739 -34.801 387 HB3 LYS 699 HB1 LYS 699 -5.656 -12.354 -34.600 388 HG2 LYS 699 HG2 LYS 699 -4.860 -12.472 -36.836 389 HG3 LYS 699 HG1 LYS 699 -5.488 -14.104 -37.052 390 HD2 LYS 699 HD2 LYS 699 -6.855 -12.373 -38.215 391 HD3 LYS 699 HD1 LYS 699 -7.765 -13.307 -37.021 392 HE2 LYS 699 HE2 LYS 699 -7.595 -11.448 -35.411 393 HE3 LYS 699 HE1 LYS 699 -6.617 -10.532 -36.558 394 HZ1 LYS 699 HZ1 LYS 699 -8.491 -10.463 -38.055 395 HZ2 LYS 699 HZ2 LYS 699 -8.916 -9.819 -36.551 396 HZ3 LYS 699 HZ3 LYS 699 -9.426 -11.376 -36.980 397 HA PRO 700 HA PRO 700 -3.087 -13.357 -30.551 398 HB2 PRO 700 HB2 PRO 700 -2.710 -10.593 -30.573 399 HB3 PRO 700 HB1 PRO 700 -1.460 -11.779 -30.970 400 HG2 PRO 700 HG2 PRO 700 -3.296 -10.264 -32.829 401 HG3 PRO 700 HG1 PRO 700 -1.533 -10.498 -32.940 402 HD2 PRO 700 HD2 PRO 700 -3.174 -11.986 -34.419 403 HD3 PRO 700 HD1 PRO 700 -1.769 -12.753 -33.638 404 H PHE 701 HN PHE 701 -4.012 -12.305 -28.743 405 HA PHE 701 HA PHE 701 -6.707 -11.166 -29.068 406 HB2 PHE 701 HB2 PHE 701 -7.255 -12.698 -26.966 407 HB3 PHE 701 HB1 PHE 701 -7.360 -13.356 -28.589 408 HD1 PHE 701 HD1 PHE 701 -5.258 -13.289 -25.512 409 HD2 PHE 701 HD2 PHE 701 -5.931 -15.179 -29.287 410 HE1 PHE 701 HE1 PHE 701 -3.712 -15.096 -24.893 411 HE2 PHE 701 HE2 PHE 701 -4.389 -16.990 -28.650 412 HZ PHE 701 HZ PHE 701 -3.280 -16.946 -26.456 413 H TYR 702 HN TYR 702 -6.842 -9.322 -27.989 414 HA TYR 702 HA TYR 702 -5.390 -8.925 -25.451 415 HB2 TYR 702 HB2 TYR 702 -5.486 -6.832 -27.685 416 HB3 TYR 702 HB1 TYR 702 -4.752 -6.616 -26.100 417 HD1 TYR 702 HD2 TYR 702 -2.883 -8.495 -25.513 418 HD2 TYR 702 HD1 TYR 702 -4.023 -7.331 -29.468 419 HE1 TYR 702 HE2 TYR 702 -0.758 -9.372 -26.382 420 HE2 TYR 702 HE1 TYR 702 -1.900 -8.212 -30.335 421 HH TYR 702 HH TYR 702 0.080 -10.275 -28.622 422 H CYS 703 HN CYS 703 -6.488 -7.690 -23.957 423 HA CYS 703 HA CYS 703 -9.303 -7.313 -24.167 424 HB2 CYS 703 HB2 CYS 703 -9.215 -6.482 -21.938 425 HB3 CYS 703 HB1 CYS 703 -7.910 -7.661 -22.014 426 HA PRO 704 HA PRO 704 -9.709 -3.521 -26.399 427 HB2 PRO 704 HB2 PRO 704 -11.613 -2.490 -24.294 428 HB3 PRO 704 HB1 PRO 704 -11.857 -2.674 -26.035 429 HG2 PRO 704 HG2 PRO 704 -12.976 -4.381 -24.332 430 HG3 PRO 704 HG1 PRO 704 -12.290 -4.965 -25.864 431 HD2 PRO 704 HD2 PRO 704 -11.131 -5.107 -23.085 432 HD3 PRO 704 HD1 PRO 704 -11.121 -6.333 -24.369 433 H HIS 705 HN HIS 705 -9.333 -3.136 -22.926 434 HA HIS 705 HA HIS 705 -8.764 -0.420 -22.737 435 HB2 HIS 705 HB2 HIS 705 -9.303 -1.923 -20.799 436 HB3 HIS 705 HB1 HIS 705 -7.692 -2.625 -20.927 437 HD1 HIS 705 HD1 HIS 705 -9.490 0.475 -19.839 438 HD2 HIS 705 HD2 HIS 705 -5.603 -0.991 -19.915 439 HE1 HIS 705 HE1 HIS 705 -8.137 2.096 -18.483 440 HE2 HIS 705 HE2 HIS 705 -5.761 1.303 -18.723 441 H CYS 706 HN CYS 706 -6.566 -3.128 -23.439 442 HA CYS 706 HA CYS 706 -4.129 -1.628 -23.260 443 HB2 CYS 706 HB2 CYS 706 -4.819 -4.315 -24.451 444 HB3 CYS 706 HB1 CYS 706 -3.227 -3.613 -24.712 445 H LEU 707 HN LEU 707 -6.285 -2.464 -25.944 446 HA LEU 707 HA LEU 707 -4.702 -1.441 -28.066 447 HB2 LEU 707 HB2 LEU 707 -7.738 -1.683 -27.939 448 HB3 LEU 707 HB1 LEU 707 -6.768 -1.558 -29.404 449 HG LEU 707 HG LEU 707 -6.719 -3.910 -27.455 450 HD11 LEU 707 HD11 LEU 707 -7.838 -5.195 -29.226 451 HD12 LEU 707 HD12 LEU 707 -7.977 -3.737 -30.211 452 HD13 LEU 707 HD13 LEU 707 -8.830 -3.849 -28.669 453 HD21 LEU 707 HD21 LEU 707 -5.307 -3.606 -30.129 454 HD22 LEU 707 HD22 LEU 707 -5.338 -5.065 -29.134 455 HD23 LEU 707 HD23 LEU 707 -4.539 -3.613 -28.540 456 H VAL 708 HN VAL 708 -7.311 -0.075 -26.127 457 HA VAL 708 HA VAL 708 -7.438 2.513 -27.261 458 HB VAL 708 HB VAL 708 -8.385 1.412 -24.575 459 HG11 VAL 708 HG11 VAL 708 -8.172 3.845 -24.335 460 HG12 VAL 708 HG12 VAL 708 -9.874 3.386 -24.394 461 HG13 VAL 708 HG13 VAL 708 -9.102 4.095 -25.815 462 HG21 VAL 708 HG21 VAL 708 -9.454 0.360 -26.529 463 HG22 VAL 708 HG22 VAL 708 -9.905 1.945 -27.160 464 HG23 VAL 708 HG23 VAL 708 -10.619 1.359 -25.656 465 H ALA 709 HN ALA 709 -5.518 1.127 -24.628 466 HA ALA 709 HA ALA 709 -4.439 3.519 -23.550 467 HB1 ALA 709 HB1 ALA 709 -3.215 0.730 -23.579 468 HB2 ALA 709 HB2 ALA 709 -4.303 1.372 -22.346 469 HB3 ALA 709 HB3 ALA 709 -2.699 2.075 -22.552 470 H MET 710 HN MET 710 -3.352 1.336 -26.144 471 HA MET 710 HA MET 710 -0.938 2.756 -26.769 472 HB2 MET 710 HB2 MET 710 -2.500 0.748 -28.444 473 HB3 MET 710 HB1 MET 710 -0.886 1.331 -28.824 474 HG2 MET 710 HG2 MET 710 -0.119 0.334 -26.630 475 HG3 MET 710 HG1 MET 710 -1.713 -0.410 -26.496 476 HE1 MET 710 HE1 MET 710 -1.661 -2.711 -29.778 477 HE2 MET 710 HE2 MET 710 -2.145 -1.017 -29.788 478 HE3 MET 710 HE3 MET 710 -2.682 -2.079 -28.486 479 H GLU 711 HN GLU 711 -4.284 3.013 -27.822 480 HA GLU 711 HA GLU 711 -3.843 4.659 -30.125 481 HB2 GLU 711 HB2 GLU 711 -6.306 4.065 -28.439 482 HB3 GLU 711 HB1 GLU 711 -6.364 5.201 -29.786 483 HG2 GLU 711 HG2 GLU 711 -5.599 2.270 -29.984 484 HG3 GLU 711 HG1 GLU 711 -7.172 2.955 -30.399 485 HA PRO 712 HA PRO 712 -3.404 8.674 -28.064 486 HB2 PRO 712 HB2 PRO 712 -4.020 10.335 -30.132 487 HB3 PRO 712 HB1 PRO 712 -2.513 9.406 -30.096 488 HG2 PRO 712 HG2 PRO 712 -5.092 8.788 -31.541 489 HG3 PRO 712 HG1 PRO 712 -3.426 8.706 -32.152 490 HD2 PRO 712 HD2 PRO 712 -4.783 6.502 -31.296 491 HD3 PRO 712 HD1 PRO 712 -3.018 6.652 -31.138 492 H VAL 713 HN VAL 713 -4.692 10.444 -27.298 493 HA VAL 713 HA VAL 713 -7.586 9.835 -27.103 494 HB VAL 713 HB VAL 713 -7.543 11.174 -24.986 495 HG11 VAL 713 HG11 VAL 713 -5.482 8.930 -25.028 496 HG12 VAL 713 HG12 VAL 713 -7.228 8.731 -24.861 497 HG13 VAL 713 HG13 VAL 713 -6.312 9.545 -23.594 498 HG21 VAL 713 HG21 VAL 713 -5.678 12.703 -25.507 499 HG22 VAL 713 HG22 VAL 713 -4.534 11.361 -25.449 500 HG23 VAL 713 HG23 VAL 713 -5.376 11.867 -23.980 501 H SER 714 HN SER 714 -9.123 11.501 -27.159 502 HA SER 714 HA SER 714 -8.496 13.754 -28.917 503 HB2 SER 714 HB2 SER 714 -10.480 12.376 -29.445 504 HB3 SER 714 HB1 SER 714 -11.176 12.717 -27.863 505 HG SER 714 HG SER 714 -10.483 14.858 -29.554 506 H THR 715 HN THR 715 -8.053 15.701 -28.080 507 HA THR 715 HA THR 715 -8.369 16.308 -25.282 508 HB THR 715 HB THR 715 -7.536 18.216 -27.520 509 HG1 THR 715 HG1 THR 715 -6.113 16.530 -27.568 510 HG21 THR 715 HG21 THR 715 -6.960 18.296 -24.526 511 HG22 THR 715 HG22 THR 715 -8.076 19.360 -25.388 512 HG23 THR 715 HG23 THR 715 -6.344 19.429 -25.726 513 H ARG 716 HN ARG 716 -10.326 16.809 -24.481 514 HA ARG 716 HA ARG 716 -12.400 18.000 -26.183 515 HB2 ARG 716 HB2 ARG 716 -12.553 16.578 -23.494 516 HB3 ARG 716 HB1 ARG 716 -13.952 17.236 -24.346 517 HG2 ARG 716 HG2 ARG 716 -12.111 15.062 -25.392 518 HG3 ARG 716 HG1 ARG 716 -13.706 14.794 -24.678 519 HD2 ARG 716 HD2 ARG 716 -14.662 16.241 -26.528 520 HD3 ARG 716 HD1 ARG 716 -13.059 16.237 -27.273 521 HE ARG 716 HE ARG 716 -13.447 13.627 -27.088 522 HH11 ARG 716 HH11 ARG 716 -15.737 16.088 -28.149 523 HH12 ARG 716 HH12 ARG 716 -16.647 14.982 -29.126 524 HH21 ARG 716 HH21 ARG 716 -14.664 12.198 -28.385 525 HH22 ARG 716 HH22 ARG 716 -16.043 12.784 -29.257 Start of MODEL 19 1 H PHE 652 HT1 PHE 652 -4.970 7.281 -1.450 2 HA PHE 652 HA PHE 652 -6.613 4.950 -0.671 3 HB2 PHE 652 HB2 PHE 652 -5.766 5.936 -3.436 4 HB3 PHE 652 HB1 PHE 652 -6.529 4.379 -3.129 5 HD1 PHE 652 HD2 PHE 652 -7.073 8.056 -3.103 6 HD2 PHE 652 HD1 PHE 652 -8.920 4.214 -2.779 7 HE1 PHE 652 HE2 PHE 652 -9.291 9.102 -3.312 8 HE2 PHE 652 HE1 PHE 652 -11.136 5.270 -2.987 9 HZ PHE 652 HZ PHE 652 -11.326 7.711 -3.256 10 H ASN 653 HN ASN 653 -5.146 3.738 0.450 11 HA ASN 653 HA ASN 653 -2.521 3.116 -0.794 12 HB2 ASN 653 HB2 ASN 653 -3.480 2.689 2.075 13 HB3 ASN 653 HB1 ASN 653 -1.906 2.187 1.463 14 HD21 ASN 653 HD21 ASN 653 -0.429 3.858 0.754 15 HD22 ASN 653 HD22 ASN 653 -0.520 5.434 1.454 16 H THR 654 HN THR 654 -3.299 1.699 -2.336 17 HA THR 654 HA THR 654 -4.295 -0.919 -1.459 18 HB THR 654 HB THR 654 -6.381 0.238 -1.827 19 HG1 THR 654 HG1 THR 654 -6.126 -1.901 -2.795 20 HG21 THR 654 HG21 THR 654 -6.972 1.370 -3.940 21 HG22 THR 654 HG22 THR 654 -5.340 1.106 -4.549 22 HG23 THR 654 HG23 THR 654 -5.601 2.161 -3.158 23 H SER 655 HN SER 655 -3.860 -2.584 -2.906 24 HA SER 655 HA SER 655 -2.949 -2.151 -5.609 25 HB2 SER 655 HB2 SER 655 -0.826 -1.811 -4.323 26 HB3 SER 655 HB1 SER 655 -1.024 -3.399 -3.580 27 HG SER 655 HG SER 655 -0.300 -4.297 -5.346 28 H ASP 656 HN ASP 656 -4.536 -3.464 -6.356 29 HA ASP 656 HA ASP 656 -4.315 -6.328 -5.989 30 HB2 ASP 656 HB2 ASP 656 -5.806 -5.655 -4.087 31 HB3 ASP 656 HB1 ASP 656 -6.911 -4.910 -5.233 32 H TYR 657 HN TYR 657 -5.179 -7.462 -7.733 33 HA TYR 657 HA TYR 657 -5.972 -5.805 -10.072 34 HB2 TYR 657 HB2 TYR 657 -4.421 -8.437 -10.082 35 HB3 TYR 657 HB1 TYR 657 -4.800 -7.442 -11.487 36 HD1 TYR 657 HD1 TYR 657 -3.561 -5.332 -11.908 37 HD2 TYR 657 HD2 TYR 657 -2.633 -7.760 -8.515 38 HE1 TYR 657 HE1 TYR 657 -1.467 -4.082 -11.582 39 HE2 TYR 657 HE2 TYR 657 -0.535 -6.512 -8.199 40 HH TYR 657 HH TYR 657 0.122 -3.579 -9.742 41 H ARG 658 HN ARG 658 -8.045 -6.103 -10.616 42 HA ARG 658 HA ARG 658 -9.418 -8.641 -9.957 43 HB2 ARG 658 HB2 ARG 658 -10.637 -5.940 -10.707 44 HB3 ARG 658 HB1 ARG 658 -11.527 -7.371 -10.210 45 HG2 ARG 658 HG2 ARG 658 -11.534 -6.041 -8.282 46 HG3 ARG 658 HG1 ARG 658 -10.220 -7.172 -7.968 47 HD2 ARG 658 HD2 ARG 658 -8.609 -5.408 -8.773 48 HD3 ARG 658 HD1 ARG 658 -9.973 -4.291 -8.898 49 HE ARG 658 HE ARG 658 -9.522 -5.565 -6.306 50 HH11 ARG 658 HH11 ARG 658 -9.169 -2.640 -8.220 51 HH12 ARG 658 HH12 ARG 658 -8.772 -1.654 -6.853 52 HH21 ARG 658 HH21 ARG 658 -8.978 -4.255 -4.529 53 HH22 ARG 658 HH22 ARG 658 -8.678 -2.563 -4.769 54 H PHE 659 HN PHE 659 -8.570 -9.824 -11.699 55 HA PHE 659 HA PHE 659 -9.115 -8.941 -14.437 56 HB2 PHE 659 HB2 PHE 659 -7.829 -11.198 -14.961 57 HB3 PHE 659 HB1 PHE 659 -6.959 -9.758 -14.476 58 HD1 PHE 659 HD2 PHE 659 -8.098 -13.113 -13.343 59 HD2 PHE 659 HD1 PHE 659 -5.699 -9.693 -12.410 60 HE1 PHE 659 HE2 PHE 659 -6.997 -14.363 -11.527 61 HE2 PHE 659 HE1 PHE 659 -4.609 -10.952 -10.601 62 HZ PHE 659 HZ PHE 659 -5.259 -13.283 -10.149 63 H GLU 660 HN GLU 660 -11.314 -9.101 -14.555 64 HA GLU 660 HA GLU 660 -12.100 -11.603 -15.735 65 HB2 GLU 660 HB2 GLU 660 -12.923 -11.432 -13.108 66 HB3 GLU 660 HB1 GLU 660 -14.251 -10.577 -13.868 67 HG2 GLU 660 HG2 GLU 660 -13.390 -13.448 -14.378 68 HG3 GLU 660 HG1 GLU 660 -14.824 -12.911 -13.506 69 H CYS 661 HN CYS 661 -13.895 -11.268 -17.152 70 HA CYS 661 HA CYS 661 -13.684 -9.068 -18.759 71 HB2 CYS 661 HB2 CYS 661 -14.525 -11.262 -19.460 72 HB3 CYS 661 HB1 CYS 661 -16.018 -10.986 -18.567 73 H ILE 662 HN ILE 662 -15.044 -7.375 -19.389 74 HA ILE 662 HA ILE 662 -15.968 -5.707 -17.373 75 HB ILE 662 HB ILE 662 -16.944 -4.280 -19.216 76 HG12 ILE 662 HG12 ILE 662 -15.955 -6.471 -21.114 77 HG13 ILE 662 HG11 ILE 662 -17.652 -6.209 -20.721 78 HG21 ILE 662 HG21 ILE 662 -14.783 -3.775 -20.323 79 HG22 ILE 662 HG22 ILE 662 -14.119 -5.299 -19.727 80 HG23 ILE 662 HG23 ILE 662 -14.580 -4.031 -18.589 81 HD11 ILE 662 HD11 ILE 662 -17.083 -5.259 -22.865 82 HD12 ILE 662 HD12 ILE 662 -15.830 -4.258 -22.132 83 HD13 ILE 662 HD13 ILE 662 -17.529 -3.982 -21.734 84 H CYS 663 HN CYS 663 -17.857 -8.053 -19.267 85 HA CYS 663 HA CYS 663 -20.438 -7.074 -18.401 86 HB2 CYS 663 HB2 CYS 663 -21.394 -9.013 -19.520 87 HB3 CYS 663 HB1 CYS 663 -20.147 -8.320 -20.551 88 H GLY 664 HN GLY 664 -18.170 -9.511 -17.260 89 HA2 GLY 664 HA2 GLY 664 -18.103 -10.740 -15.315 90 HA3 GLY 664 HA1 GLY 664 -19.587 -9.957 -14.789 91 H GLU 665 HN GLU 665 -18.277 -12.537 -16.839 92 HA GLU 665 HA GLU 665 -20.726 -14.163 -16.484 93 HB2 GLU 665 HB2 GLU 665 -19.315 -13.660 -19.133 94 HB3 GLU 665 HB1 GLU 665 -20.435 -14.986 -18.889 95 HG2 GLU 665 HG2 GLU 665 -22.255 -13.373 -18.515 96 HG3 GLU 665 HG1 GLU 665 -21.123 -12.037 -18.747 97 H LEU 666 HN LEU 666 -20.149 -16.442 -17.589 98 HA LEU 666 HA LEU 666 -17.889 -17.599 -16.266 99 HB2 LEU 666 HB2 LEU 666 -19.783 -18.701 -18.375 100 HB3 LEU 666 HB1 LEU 666 -18.571 -19.665 -17.538 101 HG LEU 666 HG LEU 666 -20.916 -18.248 -16.185 102 HD11 LEU 666 HD11 LEU 666 -20.583 -21.200 -16.803 103 HD12 LEU 666 HD12 LEU 666 -21.716 -20.093 -17.577 104 HD13 LEU 666 HD13 LEU 666 -21.897 -20.474 -15.869 105 HD21 LEU 666 HD21 LEU 666 -18.973 -18.463 -14.687 106 HD22 LEU 666 HD22 LEU 666 -18.906 -20.199 -15.005 107 HD23 LEU 666 HD23 LEU 666 -20.296 -19.505 -14.170 108 H ASP 667 HN ASP 667 -15.876 -17.747 -16.984 109 HA ASP 667 HA ASP 667 -15.192 -16.794 -19.684 110 HB2 ASP 667 HB2 ASP 667 -14.330 -15.539 -17.727 111 HB3 ASP 667 HB1 ASP 667 -13.560 -17.000 -17.115 112 H GLN 668 HN GLN 668 -16.050 -19.151 -20.164 113 HA GLN 668 HA GLN 668 -13.578 -20.368 -21.142 114 HB2 GLN 668 HB2 GLN 668 -14.198 -22.678 -20.719 115 HB3 GLN 668 HB1 GLN 668 -14.146 -21.815 -19.191 116 HG2 GLN 668 HG2 GLN 668 -16.690 -22.493 -20.693 117 HG3 GLN 668 HG1 GLN 668 -16.009 -23.466 -19.394 118 HE21 GLN 668 HE21 GLN 668 -15.220 -21.150 -17.737 119 HE22 GLN 668 HE22 GLN 668 -16.686 -20.513 -17.082 120 H ILE 669 HN ILE 669 -13.797 -21.348 -23.203 121 HA ILE 669 HA ILE 669 -15.614 -19.923 -24.878 122 HB ILE 669 HB ILE 669 -13.655 -22.164 -25.581 123 HG12 ILE 669 HG12 ILE 669 -13.421 -19.124 -25.831 124 HG13 ILE 669 HG11 ILE 669 -12.573 -20.131 -24.669 125 HG21 ILE 669 HG21 ILE 669 -15.097 -20.301 -27.509 126 HG22 ILE 669 HG22 ILE 669 -15.373 -22.036 -27.344 127 HG23 ILE 669 HG23 ILE 669 -13.824 -21.445 -27.944 128 HD11 ILE 669 HD11 ILE 669 -11.118 -19.402 -26.451 129 HD12 ILE 669 HD12 ILE 669 -12.165 -20.148 -27.657 130 HD13 ILE 669 HD13 ILE 669 -11.302 -21.154 -26.489 131 H ASP 670 HN ASP 670 -15.760 -23.051 -23.420 132 HA ASP 670 HA ASP 670 -17.619 -24.427 -24.984 133 HB2 ASP 670 HB2 ASP 670 -16.330 -25.417 -23.109 134 HB3 ASP 670 HB1 ASP 670 -17.267 -24.472 -21.956 135 H ARG 671 HN ARG 671 -18.143 -21.931 -22.524 136 HA ARG 671 HA ARG 671 -21.048 -21.826 -23.057 137 HB2 ARG 671 HB2 ARG 671 -19.291 -20.862 -20.819 138 HB3 ARG 671 HB1 ARG 671 -20.666 -19.843 -21.206 139 HG2 ARG 671 HG2 ARG 671 -21.200 -21.358 -19.372 140 HG3 ARG 671 HG1 ARG 671 -22.212 -21.689 -20.773 141 HD2 ARG 671 HD2 ARG 671 -19.723 -23.330 -20.228 142 HD3 ARG 671 HD1 ARG 671 -21.251 -23.694 -19.425 143 HE ARG 671 HE ARG 671 -21.126 -23.587 -22.368 144 HH11 ARG 671 HH11 ARG 671 -21.679 -25.490 -19.481 145 HH12 ARG 671 HH12 ARG 671 -22.280 -26.859 -20.354 146 HH21 ARG 671 HH21 ARG 671 -21.856 -25.403 -23.505 147 HH22 ARG 671 HH22 ARG 671 -22.356 -26.814 -22.630 148 H LYS 672 HN LYS 672 -18.454 -19.380 -22.628 149 HA LYS 672 HA LYS 672 -19.499 -17.883 -24.962 150 HB2 LYS 672 HB2 LYS 672 -18.527 -16.747 -22.304 151 HB3 LYS 672 HB1 LYS 672 -18.823 -15.774 -23.742 152 HG2 LYS 672 HG2 LYS 672 -20.907 -17.425 -22.292 153 HG3 LYS 672 HG1 LYS 672 -20.683 -15.686 -22.092 154 HD2 LYS 672 HD2 LYS 672 -21.439 -17.070 -24.707 155 HD3 LYS 672 HD1 LYS 672 -22.582 -16.282 -23.618 156 HE2 LYS 672 HE2 LYS 672 -20.278 -14.871 -25.014 157 HE3 LYS 672 HE1 LYS 672 -21.950 -14.860 -25.571 158 HZ1 LYS 672 HZ1 LYS 672 -20.983 -13.777 -22.976 159 HZ2 LYS 672 HZ2 LYS 672 -22.588 -13.795 -23.495 160 HZ3 LYS 672 HZ3 LYS 672 -21.446 -12.871 -24.328 161 HA PRO 673 HA PRO 673 -15.200 -18.348 -26.331 162 HB2 PRO 673 HB2 PRO 673 -15.327 -16.324 -28.296 163 HB3 PRO 673 HB1 PRO 673 -15.684 -18.027 -28.545 164 HG2 PRO 673 HG2 PRO 673 -17.545 -15.735 -28.175 165 HG3 PRO 673 HG1 PRO 673 -17.764 -17.235 -29.111 166 HD2 PRO 673 HD2 PRO 673 -18.950 -16.760 -26.663 167 HD3 PRO 673 HD1 PRO 673 -18.583 -18.387 -27.253 168 H ARG 674 HN ARG 674 -13.331 -17.337 -25.633 169 HA ARG 674 HA ARG 674 -13.624 -14.744 -24.300 170 HB2 ARG 674 HB2 ARG 674 -12.453 -15.927 -22.242 171 HB3 ARG 674 HB1 ARG 674 -14.190 -15.988 -22.459 172 HG2 ARG 674 HG2 ARG 674 -13.834 -18.176 -21.985 173 HG3 ARG 674 HG1 ARG 674 -13.643 -18.248 -23.728 174 HD2 ARG 674 HD2 ARG 674 -11.822 -19.476 -23.017 175 HD3 ARG 674 HD1 ARG 674 -11.082 -17.886 -23.160 176 HE ARG 674 HE ARG 674 -11.871 -17.869 -20.595 177 HH11 ARG 674 HH11 ARG 674 -10.065 -20.288 -22.373 178 HH12 ARG 674 HH12 ARG 674 -9.214 -20.838 -20.969 179 HH21 ARG 674 HH21 ARG 674 -10.743 -18.570 -18.794 180 HH22 ARG 674 HH22 ARG 674 -9.600 -19.877 -18.936 181 H VAL 675 HN VAL 675 -12.000 -13.486 -24.425 182 HA VAL 675 HA VAL 675 -9.480 -14.377 -25.642 183 HB VAL 675 HB VAL 675 -9.136 -11.976 -26.270 184 HG11 VAL 675 HG11 VAL 675 -11.755 -13.173 -27.249 185 HG12 VAL 675 HG12 VAL 675 -10.144 -13.506 -27.887 186 HG13 VAL 675 HG13 VAL 675 -10.848 -11.900 -28.070 187 HG21 VAL 675 HG21 VAL 675 -11.959 -11.509 -25.218 188 HG22 VAL 675 HG22 VAL 675 -11.013 -10.351 -26.159 189 HG23 VAL 675 HG23 VAL 675 -10.475 -10.829 -24.549 190 H GLN 676 HN GLN 676 -8.155 -14.939 -24.072 191 HA GLN 676 HA GLN 676 -7.802 -13.464 -21.603 192 HB2 GLN 676 HB2 GLN 676 -6.486 -15.923 -22.825 193 HB3 GLN 676 HB1 GLN 676 -5.769 -15.137 -21.422 194 HG2 GLN 676 HG2 GLN 676 -7.214 -17.050 -20.799 195 HG3 GLN 676 HG1 GLN 676 -7.758 -15.527 -20.097 196 HE21 GLN 676 HE21 GLN 676 -9.901 -15.689 -19.958 197 HE22 GLN 676 HE22 GLN 676 -10.964 -16.150 -21.231 198 H CYS 677 HN CYS 677 -7.086 -11.456 -21.974 199 HA CYS 677 HA CYS 677 -5.268 -10.738 -24.058 200 HB2 CYS 677 HB2 CYS 677 -6.988 -9.183 -23.170 201 HB3 CYS 677 HB1 CYS 677 -6.131 -9.114 -21.637 202 H LEU 678 HN LEU 678 -3.491 -11.943 -23.786 203 HA LEU 678 HA LEU 678 -2.206 -12.701 -21.454 204 HB2 LEU 678 HB2 LEU 678 -0.339 -13.392 -22.997 205 HB3 LEU 678 HB1 LEU 678 -1.937 -13.947 -23.446 206 HG LEU 678 HG LEU 678 -1.808 -11.658 -24.963 207 HD11 LEU 678 HD11 LEU 678 0.370 -11.461 -26.039 208 HD12 LEU 678 HD12 LEU 678 1.047 -12.658 -24.933 209 HD13 LEU 678 HD13 LEU 678 0.480 -11.104 -24.317 210 HD21 LEU 678 HD21 LEU 678 -1.337 -13.077 -26.911 211 HD22 LEU 678 HD22 LEU 678 -2.484 -13.846 -25.817 212 HD23 LEU 678 HD23 LEU 678 -0.802 -14.381 -25.847 213 H LYS 679 HN LYS 679 -1.741 -9.765 -23.292 214 HA LYS 679 HA LYS 679 0.839 -9.105 -22.293 215 HB2 LYS 679 HB2 LYS 679 -0.149 -8.299 -24.467 216 HB3 LYS 679 HB1 LYS 679 -1.205 -7.235 -23.550 217 HG2 LYS 679 HG2 LYS 679 0.668 -5.937 -22.749 218 HG3 LYS 679 HG1 LYS 679 1.826 -7.092 -23.409 219 HD2 LYS 679 HD2 LYS 679 -0.071 -5.358 -25.050 220 HD3 LYS 679 HD1 LYS 679 1.646 -5.033 -24.794 221 HE2 LYS 679 HE2 LYS 679 2.133 -7.272 -25.885 222 HE3 LYS 679 HE1 LYS 679 0.421 -7.365 -26.306 223 HZ1 LYS 679 HZ1 LYS 679 1.727 -6.507 -28.126 224 HZ2 LYS 679 HZ2 LYS 679 2.328 -5.260 -27.163 225 HZ3 LYS 679 HZ3 LYS 679 0.686 -5.300 -27.564 226 H CYS 680 HN CYS 680 -2.396 -8.620 -20.964 227 HA CYS 680 HA CYS 680 -1.151 -7.252 -18.633 228 HB2 CYS 680 HB2 CYS 680 -2.963 -5.689 -18.390 229 HB3 CYS 680 HB1 CYS 680 -2.440 -5.583 -20.067 230 H HIS 681 HN HIS 681 -2.321 -10.065 -19.459 231 HA HIS 681 HA HIS 681 -3.297 -11.854 -18.448 232 HB2 HIS 681 HB2 HIS 681 -2.471 -10.272 -15.976 233 HB3 HIS 681 HB1 HIS 681 -3.116 -11.906 -15.883 234 HD1 HIS 681 HD1 HIS 681 -1.342 -13.610 -15.685 235 HD2 HIS 681 HD2 HIS 681 -0.033 -10.313 -17.856 236 HE1 HIS 681 HE1 HIS 681 1.063 -14.078 -16.233 237 HE2 HIS 681 HE2 HIS 681 1.765 -12.168 -17.712 238 H LEU 682 HN LEU 682 -5.170 -9.876 -19.305 239 HA LEU 682 HA LEU 682 -7.215 -9.732 -17.161 240 HB2 LEU 682 HB2 LEU 682 -6.282 -7.605 -18.324 241 HB3 LEU 682 HB1 LEU 682 -7.178 -8.106 -19.741 242 HG LEU 682 HG LEU 682 -8.310 -6.327 -18.402 243 HD11 LEU 682 HD11 LEU 682 -9.682 -7.777 -19.816 244 HD12 LEU 682 HD12 LEU 682 -10.557 -7.244 -18.384 245 HD13 LEU 682 HD13 LEU 682 -9.916 -8.888 -18.463 246 HD21 LEU 682 HD21 LEU 682 -7.561 -6.989 -16.176 247 HD22 LEU 682 HD22 LEU 682 -8.590 -8.423 -16.242 248 HD23 LEU 682 HD23 LEU 682 -9.314 -6.814 -16.240 249 H TRP 683 HN TRP 683 -8.901 -11.051 -17.358 250 HA TRP 683 HA TRP 683 -9.215 -12.727 -19.728 251 HB2 TRP 683 HB2 TRP 683 -10.911 -12.888 -17.201 252 HB3 TRP 683 HB1 TRP 683 -10.566 -14.160 -18.364 253 HD1 TRP 683 HD1 TRP 683 -10.099 -14.094 -15.066 254 HE1 TRP 683 HE1 TRP 683 -7.855 -14.903 -14.169 255 HE3 TRP 683 HE3 TRP 683 -7.232 -13.586 -19.306 256 HZ2 TRP 683 HZ2 TRP 683 -5.236 -15.253 -15.056 257 HZ3 TRP 683 HZ3 TRP 683 -4.854 -14.180 -19.170 258 HH2 TRP 683 HH2 TRP 683 -3.870 -15.002 -17.089 259 H GLN 684 HN GLN 684 -10.676 -12.215 -21.288 260 HA GLN 684 HA GLN 684 -13.144 -10.781 -20.607 261 HB2 GLN 684 HB2 GLN 684 -11.065 -9.324 -21.573 262 HB3 GLN 684 HB1 GLN 684 -11.730 -9.861 -23.103 263 HG2 GLN 684 HG2 GLN 684 -13.402 -8.333 -23.005 264 HG3 GLN 684 HG1 GLN 684 -13.863 -8.838 -21.384 265 HE21 GLN 684 HE21 GLN 684 -12.776 -7.885 -19.604 266 HE22 GLN 684 HE22 GLN 684 -12.038 -6.348 -19.722 267 H HIS 685 HN HIS 685 -14.469 -10.603 -22.889 268 HA HIS 685 HA HIS 685 -14.435 -13.313 -24.087 269 HB2 HIS 685 HB2 HIS 685 -16.768 -11.444 -23.642 270 HB3 HIS 685 HB1 HIS 685 -16.884 -12.879 -24.646 271 HD2 HIS 685 HD2 HIS 685 -15.782 -15.222 -22.892 272 HE1 HIS 685 HE1 HIS 685 -17.838 -13.526 -19.620 273 HE2 HIS 685 HE2 HIS 685 -16.565 -15.550 -20.443 274 H ALA 686 HN ALA 686 -14.697 -13.570 -26.269 275 HA ALA 686 HA ALA 686 -13.457 -11.796 -28.002 276 HB1 ALA 686 HB1 ALA 686 -15.378 -14.051 -28.676 277 HB2 ALA 686 HB2 ALA 686 -13.648 -14.228 -28.380 278 HB3 ALA 686 HB3 ALA 686 -14.215 -13.316 -29.781 279 H LYS 687 HN LYS 687 -16.971 -12.605 -27.923 280 HA LYS 687 HA LYS 687 -17.756 -10.589 -29.749 281 HB2 LYS 687 HB2 LYS 687 -19.267 -12.381 -27.839 282 HB3 LYS 687 HB1 LYS 687 -20.119 -11.065 -28.619 283 HG2 LYS 687 HG2 LYS 687 -20.479 -13.118 -29.860 284 HG3 LYS 687 HG1 LYS 687 -19.557 -11.977 -30.838 285 HD2 LYS 687 HD2 LYS 687 -17.489 -13.211 -30.417 286 HD3 LYS 687 HD1 LYS 687 -18.322 -14.293 -29.296 287 HE2 LYS 687 HE2 LYS 687 -17.955 -15.336 -31.505 288 HE3 LYS 687 HE1 LYS 687 -19.669 -15.195 -31.128 289 HZ1 LYS 687 HZ1 LYS 687 -19.803 -13.278 -32.561 290 HZ2 LYS 687 HZ2 LYS 687 -19.161 -14.587 -33.417 291 HZ3 LYS 687 HZ3 LYS 687 -18.145 -13.346 -32.877 292 H CYS 688 HN CYS 688 -17.091 -10.449 -26.344 293 HA CYS 688 HA CYS 688 -18.584 -8.091 -25.730 294 HB2 CYS 688 HB2 CYS 688 -16.287 -9.423 -24.281 295 HB3 CYS 688 HB1 CYS 688 -17.060 -7.956 -23.684 296 H VAL 689 HN VAL 689 -15.406 -8.693 -27.094 297 HA VAL 689 HA VAL 689 -14.677 -5.819 -26.967 298 HB VAL 689 HB VAL 689 -12.365 -6.447 -27.278 299 HG11 VAL 689 HG11 VAL 689 -11.923 -7.808 -25.261 300 HG12 VAL 689 HG12 VAL 689 -13.613 -8.317 -25.226 301 HG13 VAL 689 HG13 VAL 689 -13.198 -6.621 -24.973 302 HG21 VAL 689 HG21 VAL 689 -11.569 -8.782 -27.554 303 HG22 VAL 689 HG22 VAL 689 -12.598 -8.291 -28.899 304 HG23 VAL 689 HG23 VAL 689 -13.242 -9.345 -27.641 305 H ASN 690 HN ASN 690 -16.464 -7.448 -28.918 306 HA ASN 690 HA ASN 690 -16.977 -7.711 -31.086 307 HB2 ASN 690 HB2 ASN 690 -16.928 -5.243 -31.167 308 HB3 ASN 690 HB1 ASN 690 -15.206 -5.268 -31.520 309 HD21 ASN 690 HD21 ASN 690 -17.701 -7.400 -32.933 310 HD22 ASN 690 HD22 ASN 690 -17.523 -6.815 -34.548 311 H TYR 691 HN TYR 691 -16.032 -9.725 -31.248 312 HA TYR 691 HA TYR 691 -13.824 -10.196 -33.012 313 HB2 TYR 691 HB2 TYR 691 -12.775 -9.369 -30.761 314 HB3 TYR 691 HB1 TYR 691 -13.328 -10.878 -30.068 315 HD1 TYR 691 HD1 TYR 691 -11.091 -9.461 -32.718 316 HD2 TYR 691 HD2 TYR 691 -11.923 -12.794 -30.187 317 HE1 TYR 691 HE1 TYR 691 -8.908 -10.430 -33.277 318 HE2 TYR 691 HE2 TYR 691 -9.740 -13.766 -30.749 319 HH TYR 691 HH TYR 691 -8.033 -13.634 -32.494 320 H ASP 692 HN ASP 692 -13.320 -12.733 -32.871 321 HA ASP 692 HA ASP 692 -15.550 -14.313 -31.756 322 HB2 ASP 692 HB2 ASP 692 -15.755 -15.631 -33.885 323 HB3 ASP 692 HB1 ASP 692 -16.277 -13.959 -34.042 324 H GLU 693 HN GLU 693 -15.065 -16.730 -31.899 325 HA GLU 693 HA GLU 693 -12.435 -17.158 -30.806 326 HB2 GLU 693 HB2 GLU 693 -13.166 -19.400 -30.230 327 HB3 GLU 693 HB1 GLU 693 -14.386 -18.230 -29.780 328 HG2 GLU 693 HG2 GLU 693 -15.771 -19.816 -30.658 329 HG3 GLU 693 HG1 GLU 693 -15.425 -18.920 -32.140 330 H LYS 694 HN LYS 694 -13.841 -17.521 -33.928 331 HA LYS 694 HA LYS 694 -12.355 -19.681 -34.978 332 HB2 LYS 694 HB2 LYS 694 -13.517 -17.278 -36.455 333 HB3 LYS 694 HB1 LYS 694 -12.844 -18.690 -37.253 334 HG2 LYS 694 HG2 LYS 694 -15.182 -18.987 -37.326 335 HG3 LYS 694 HG1 LYS 694 -14.617 -20.077 -36.062 336 HD2 LYS 694 HD2 LYS 694 -15.328 -18.410 -34.344 337 HD3 LYS 694 HD1 LYS 694 -15.929 -17.361 -35.633 338 HE2 LYS 694 HE2 LYS 694 -17.766 -18.615 -34.601 339 HE3 LYS 694 HE1 LYS 694 -17.559 -19.109 -36.280 340 HZ1 LYS 694 HZ1 LYS 694 -16.455 -20.589 -33.953 341 HZ2 LYS 694 HZ2 LYS 694 -16.449 -21.085 -35.569 342 HZ3 LYS 694 HZ3 LYS 694 -17.908 -20.971 -34.729 343 H ASN 695 HN ASN 695 -11.709 -16.179 -34.955 344 HA ASN 695 HA ASN 695 -8.980 -16.609 -35.979 345 HB2 ASN 695 HB2 ASN 695 -8.899 -14.328 -36.562 346 HB3 ASN 695 HB1 ASN 695 -10.527 -14.808 -36.964 347 HD21 ASN 695 HD21 ASN 695 -11.347 -14.594 -34.046 348 HD22 ASN 695 HD22 ASN 695 -11.504 -12.906 -33.782 349 H LEU 696 HN LEU 696 -10.347 -16.747 -33.045 350 HA LEU 696 HA LEU 696 -8.413 -15.360 -31.411 351 HB2 LEU 696 HB2 LEU 696 -10.761 -15.950 -30.760 352 HB3 LEU 696 HB1 LEU 696 -10.316 -17.637 -30.740 353 HG LEU 696 HG LEU 696 -9.047 -15.627 -28.848 354 HD11 LEU 696 HD11 LEU 696 -11.486 -15.494 -28.558 355 HD12 LEU 696 HD12 LEU 696 -10.730 -16.268 -27.171 356 HD13 LEU 696 HD13 LEU 696 -11.578 -17.249 -28.369 357 HD21 LEU 696 HD21 LEU 696 -7.887 -17.798 -28.995 358 HD22 LEU 696 HD22 LEU 696 -9.395 -18.643 -28.638 359 HD23 LEU 696 HD23 LEU 696 -8.649 -17.601 -27.420 360 H LYS 697 HN LYS 697 -8.936 -18.666 -32.583 361 HA LYS 697 HA LYS 697 -6.534 -19.799 -31.461 362 HB2 LYS 697 HB2 LYS 697 -8.829 -20.743 -33.089 363 HB3 LYS 697 HB1 LYS 697 -7.337 -21.603 -33.420 364 HG2 LYS 697 HG2 LYS 697 -8.641 -22.812 -31.786 365 HG3 LYS 697 HG1 LYS 697 -7.183 -22.198 -31.002 366 HD2 LYS 697 HD2 LYS 697 -8.998 -21.848 -29.462 367 HD3 LYS 697 HD1 LYS 697 -8.605 -20.269 -30.153 368 HE2 LYS 697 HE2 LYS 697 -11.007 -20.466 -30.102 369 HE3 LYS 697 HE1 LYS 697 -10.471 -20.565 -31.775 370 HZ1 LYS 697 HZ1 LYS 697 -12.060 -22.209 -31.568 371 HZ2 LYS 697 HZ2 LYS 697 -11.498 -22.726 -30.073 372 HZ3 LYS 697 HZ3 LYS 697 -10.603 -23.055 -31.457 373 H ILE 698 HN ILE 698 -6.719 -17.553 -33.822 374 HA ILE 698 HA ILE 698 -4.399 -18.602 -35.376 375 HB ILE 698 HB ILE 698 -6.395 -16.499 -36.358 376 HG12 ILE 698 HG12 ILE 698 -6.420 -19.474 -37.069 377 HG13 ILE 698 HG11 ILE 698 -7.578 -18.654 -36.017 378 HG21 ILE 698 HG21 ILE 698 -4.290 -18.096 -37.876 379 HG22 ILE 698 HG22 ILE 698 -4.203 -16.386 -37.450 380 HG23 ILE 698 HG23 ILE 698 -5.423 -16.944 -38.594 381 HD11 ILE 698 HD11 ILE 698 -8.509 -18.996 -38.219 382 HD12 ILE 698 HD12 ILE 698 -7.170 -18.120 -38.960 383 HD13 ILE 698 HD13 ILE 698 -8.307 -17.268 -37.908 384 H LYS 699 HN LYS 699 -6.071 -15.634 -34.540 385 HA LYS 699 HA LYS 699 -3.668 -14.016 -34.814 386 HB2 LYS 699 HB2 LYS 699 -6.648 -13.541 -34.849 387 HB3 LYS 699 HB1 LYS 699 -5.566 -12.176 -34.713 388 HG2 LYS 699 HG2 LYS 699 -4.668 -12.493 -36.866 389 HG3 LYS 699 HG1 LYS 699 -5.166 -14.177 -36.930 390 HD2 LYS 699 HD2 LYS 699 -6.548 -12.808 -38.434 391 HD3 LYS 699 HD1 LYS 699 -7.518 -13.488 -37.124 392 HE2 LYS 699 HE2 LYS 699 -7.414 -11.332 -35.920 393 HE3 LYS 699 HE1 LYS 699 -6.423 -10.673 -37.218 394 HZ1 LYS 699 HZ1 LYS 699 -8.708 -9.999 -37.429 395 HZ2 LYS 699 HZ2 LYS 699 -9.223 -11.606 -37.479 396 HZ3 LYS 699 HZ3 LYS 699 -8.273 -10.982 -38.734 397 HA PRO 700 HA PRO 700 -3.100 -13.177 -30.394 398 HB2 PRO 700 HB2 PRO 700 -2.051 -10.611 -30.570 399 HB3 PRO 700 HB1 PRO 700 -1.129 -12.079 -30.929 400 HG2 PRO 700 HG2 PRO 700 -2.603 -10.258 -32.846 401 HG3 PRO 700 HG1 PRO 700 -0.933 -10.867 -32.954 402 HD2 PRO 700 HD2 PRO 700 -2.890 -12.010 -34.348 403 HD3 PRO 700 HD1 PRO 700 -1.662 -13.031 -33.560 404 H PHE 701 HN PHE 701 -4.647 -12.716 -28.979 405 HA PHE 701 HA PHE 701 -6.788 -10.798 -29.661 406 HB2 PHE 701 HB2 PHE 701 -8.068 -12.250 -27.899 407 HB3 PHE 701 HB1 PHE 701 -7.800 -12.905 -29.507 408 HD1 PHE 701 HD2 PHE 701 -6.192 -14.758 -29.854 409 HD2 PHE 701 HD1 PHE 701 -6.984 -13.234 -25.932 410 HE1 PHE 701 HE2 PHE 701 -5.154 -16.756 -28.867 411 HE2 PHE 701 HE1 PHE 701 -5.946 -15.246 -24.963 412 HZ PHE 701 HZ PHE 701 -5.029 -17.004 -26.422 413 H TYR 702 HN TYR 702 -7.130 -9.053 -28.408 414 HA TYR 702 HA TYR 702 -6.032 -8.931 -25.674 415 HB2 TYR 702 HB2 TYR 702 -5.547 -6.780 -27.790 416 HB3 TYR 702 HB1 TYR 702 -5.104 -6.649 -26.090 417 HD1 TYR 702 HD1 TYR 702 -3.438 -8.463 -25.171 418 HD2 TYR 702 HD2 TYR 702 -3.980 -7.681 -29.328 419 HE1 TYR 702 HE1 TYR 702 -1.298 -9.569 -25.658 420 HE2 TYR 702 HE2 TYR 702 -1.839 -8.785 -29.810 421 HH TYR 702 HH TYR 702 0.241 -9.354 -28.692 422 H CYS 703 HN CYS 703 -6.889 -7.216 -24.399 423 HA CYS 703 HA CYS 703 -9.703 -6.700 -24.702 424 HB2 CYS 703 HB2 CYS 703 -9.575 -5.795 -22.472 425 HB3 CYS 703 HB1 CYS 703 -8.458 -7.155 -22.502 426 HA PRO 704 HA PRO 704 -9.740 -2.700 -26.756 427 HB2 PRO 704 HB2 PRO 704 -11.501 -1.214 -25.145 428 HB3 PRO 704 HB1 PRO 704 -12.008 -2.399 -26.353 429 HG2 PRO 704 HG2 PRO 704 -11.630 -2.788 -23.385 430 HG3 PRO 704 HG1 PRO 704 -12.994 -3.292 -24.414 431 HD2 PRO 704 HD2 PRO 704 -11.166 -5.071 -23.732 432 HD3 PRO 704 HD1 PRO 704 -11.743 -5.035 -25.414 433 H HIS 705 HN HIS 705 -9.144 -2.668 -23.274 434 HA HIS 705 HA HIS 705 -8.246 -0.014 -22.970 435 HB2 HIS 705 HB2 HIS 705 -7.708 -2.508 -21.323 436 HB3 HIS 705 HB1 HIS 705 -7.118 -0.919 -20.852 437 HD1 HIS 705 HD1 HIS 705 -8.667 0.486 -19.508 438 HD2 HIS 705 HD2 HIS 705 -10.653 -2.595 -21.467 439 HE1 HIS 705 HE1 HIS 705 -11.033 0.564 -18.663 440 HE2 HIS 705 HE2 HIS 705 -12.210 -1.325 -19.844 441 H CYS 706 HN CYS 706 -6.471 -2.947 -23.908 442 HA CYS 706 HA CYS 706 -3.869 -1.709 -23.782 443 HB2 CYS 706 HB2 CYS 706 -4.821 -4.310 -25.001 444 HB3 CYS 706 HB1 CYS 706 -3.159 -3.753 -25.188 445 H LEU 707 HN LEU 707 -6.372 -1.994 -26.223 446 HA LEU 707 HA LEU 707 -4.796 -1.162 -28.470 447 HB2 LEU 707 HB2 LEU 707 -7.809 -0.901 -28.124 448 HB3 LEU 707 HB1 LEU 707 -6.920 -0.904 -29.642 449 HG LEU 707 HG LEU 707 -7.292 -3.279 -27.764 450 HD11 LEU 707 HD11 LEU 707 -9.309 -2.764 -29.046 451 HD12 LEU 707 HD12 LEU 707 -8.592 -4.277 -29.591 452 HD13 LEU 707 HD13 LEU 707 -8.389 -2.811 -30.554 453 HD21 LEU 707 HD21 LEU 707 -5.750 -3.184 -30.382 454 HD22 LEU 707 HD22 LEU 707 -6.123 -4.641 -29.456 455 HD23 LEU 707 HD23 LEU 707 -5.068 -3.412 -28.769 456 H VAL 708 HN VAL 708 -6.631 0.480 -25.959 457 HA VAL 708 HA VAL 708 -6.285 3.158 -27.015 458 HB VAL 708 HB VAL 708 -7.096 2.326 -24.184 459 HG11 VAL 708 HG11 VAL 708 -6.365 4.681 -24.330 460 HG12 VAL 708 HG12 VAL 708 -8.097 4.583 -24.019 461 HG13 VAL 708 HG13 VAL 708 -7.513 4.971 -25.640 462 HG21 VAL 708 HG21 VAL 708 -9.441 2.629 -24.898 463 HG22 VAL 708 HG22 VAL 708 -8.655 1.356 -25.831 464 HG23 VAL 708 HG23 VAL 708 -8.909 2.945 -26.552 465 H ALA 709 HN ALA 709 -4.627 1.034 -24.744 466 HA ALA 709 HA ALA 709 -2.918 2.916 -23.491 467 HB1 ALA 709 HB1 ALA 709 -3.333 0.669 -22.562 468 HB2 ALA 709 HB2 ALA 709 -1.607 0.977 -22.748 469 HB3 ALA 709 HB3 ALA 709 -2.448 -0.057 -23.906 470 H MET 710 HN MET 710 -2.698 1.156 -26.510 471 HA MET 710 HA MET 710 0.045 1.987 -27.061 472 HB2 MET 710 HB2 MET 710 -1.976 0.401 -28.709 473 HB3 MET 710 HB1 MET 710 -0.330 0.747 -29.230 474 HG2 MET 710 HG2 MET 710 0.554 -0.525 -27.307 475 HG3 MET 710 HG1 MET 710 -1.094 -0.868 -26.779 476 HE1 MET 710 HE1 MET 710 -2.397 -3.204 -29.669 477 HE2 MET 710 HE2 MET 710 -2.606 -1.461 -29.526 478 HE3 MET 710 HE3 MET 710 -2.784 -2.491 -28.103 479 H GLU 711 HN GLU 711 -3.246 2.650 -28.267 480 HA GLU 711 HA GLU 711 -4.189 4.155 -29.628 481 HB2 GLU 711 HB2 GLU 711 -1.760 5.862 -28.975 482 HB3 GLU 711 HB1 GLU 711 -3.112 6.433 -29.958 483 HG2 GLU 711 HG2 GLU 711 -3.415 5.462 -27.102 484 HG3 GLU 711 HG1 GLU 711 -3.112 7.145 -27.524 485 HA PRO 712 HA PRO 712 -2.450 3.371 -33.763 486 HB2 PRO 712 HB2 PRO 712 -4.481 5.360 -34.698 487 HB3 PRO 712 HB1 PRO 712 -4.267 3.670 -35.173 488 HG2 PRO 712 HG2 PRO 712 -6.330 4.437 -33.612 489 HG3 PRO 712 HG1 PRO 712 -5.527 2.868 -33.377 490 HD2 PRO 712 HD2 PRO 712 -5.171 5.434 -31.805 491 HD3 PRO 712 HD1 PRO 712 -5.313 3.759 -31.219 492 H VAL 713 HN VAL 713 -0.537 4.299 -34.097 493 HA VAL 713 HA VAL 713 0.177 6.901 -33.212 494 HB VAL 713 HB VAL 713 2.444 6.385 -34.235 495 HG11 VAL 713 HG11 VAL 713 2.986 4.577 -32.635 496 HG12 VAL 713 HG12 VAL 713 1.264 4.234 -32.435 497 HG13 VAL 713 HG13 VAL 713 1.923 5.784 -31.910 498 HG21 VAL 713 HG21 VAL 713 2.877 4.082 -35.087 499 HG22 VAL 713 HG22 VAL 713 1.757 4.956 -36.128 500 HG23 VAL 713 HG23 VAL 713 1.145 3.733 -35.016 501 H SER 714 HN SER 714 -0.714 8.600 -34.192 502 HA SER 714 HA SER 714 -0.109 9.150 -37.015 503 HB2 SER 714 HB2 SER 714 -2.430 8.104 -36.870 504 HB3 SER 714 HB1 SER 714 -2.934 9.478 -35.888 505 HG SER 714 HG SER 714 -3.366 10.329 -37.767 506 H THR 715 HN THR 715 0.005 11.380 -37.486 507 HA THR 715 HA THR 715 0.137 13.209 -35.150 508 HB THR 715 HB THR 715 2.413 12.390 -35.766 509 HG1 THR 715 HG1 THR 715 2.336 15.093 -36.577 510 HG21 THR 715 HG21 THR 715 3.468 13.110 -37.889 511 HG22 THR 715 HG22 THR 715 1.923 13.740 -38.453 512 HG23 THR 715 HG23 THR 715 2.121 12.006 -38.188 513 H ARG 716 HN ARG 716 0.291 15.544 -35.854 514 HA ARG 716 HA ARG 716 -1.691 16.223 -37.855 515 HB2 ARG 716 HB2 ARG 716 -0.027 17.862 -35.899 516 HB3 ARG 716 HB1 ARG 716 -1.100 18.614 -37.073 517 HG2 ARG 716 HG2 ARG 716 -2.025 16.607 -34.992 518 HG3 ARG 716 HG1 ARG 716 -2.074 18.360 -34.763 519 HD2 ARG 716 HD2 ARG 716 -3.567 16.763 -36.882 520 HD3 ARG 716 HD1 ARG 716 -4.274 17.550 -35.467 521 HE ARG 716 HE ARG 716 -2.990 19.560 -36.843 522 HH11 ARG 716 HH11 ARG 716 -5.645 17.362 -37.575 523 HH12 ARG 716 HH12 ARG 716 -6.326 18.412 -38.772 524 HH21 ARG 716 HH21 ARG 716 -3.902 20.910 -38.418 525 HH22 ARG 716 HH22 ARG 716 -5.341 20.414 -39.252 Start of MODEL 20 1 H PHE 652 HT1 PHE 652 -5.003 -6.452 3.713 2 HA PHE 652 HA PHE 652 -4.625 -6.171 1.357 3 HB2 PHE 652 HB2 PHE 652 -5.491 -3.588 2.741 4 HB3 PHE 652 HB1 PHE 652 -5.886 -4.053 1.088 5 HD1 PHE 652 HD2 PHE 652 -7.200 -6.307 0.791 6 HD2 PHE 652 HD1 PHE 652 -7.017 -4.141 4.471 7 HE1 PHE 652 HE2 PHE 652 -9.234 -7.459 1.574 8 HE2 PHE 652 HE1 PHE 652 -9.048 -5.302 5.246 9 HZ PHE 652 HZ PHE 652 -10.158 -6.957 3.799 10 H ASN 653 HN ASN 653 -2.902 -5.843 0.044 11 HA ASN 653 HA ASN 653 -0.990 -3.653 0.643 12 HB2 ASN 653 HB2 ASN 653 -0.522 -6.268 -0.841 13 HB3 ASN 653 HB1 ASN 653 0.695 -5.025 -0.570 14 HD21 ASN 653 HD21 ASN 653 1.389 -4.612 1.610 15 HD22 ASN 653 HD22 ASN 653 1.277 -5.849 2.811 16 H THR 654 HN THR 654 -3.533 -4.079 -1.222 17 HA THR 654 HA THR 654 -4.393 -3.254 -3.122 18 HB THR 654 HB THR 654 -3.698 -0.927 -3.740 19 HG1 THR 654 HG1 THR 654 -1.756 -1.181 -1.684 20 HG21 THR 654 HG21 THR 654 -3.968 -1.381 -0.749 21 HG22 THR 654 HG22 THR 654 -5.309 -1.263 -1.895 22 HG23 THR 654 HG23 THR 654 -4.269 0.133 -1.589 23 H SER 655 HN SER 655 -2.230 -5.183 -3.577 24 HA SER 655 HA SER 655 -1.236 -4.377 -6.263 25 HB2 SER 655 HB2 SER 655 -0.179 -6.559 -4.403 26 HB3 SER 655 HB1 SER 655 0.528 -6.066 -5.945 27 HG SER 655 HG SER 655 0.161 -4.214 -3.836 28 H ASP 656 HN ASP 656 -3.837 -5.757 -5.133 29 HA ASP 656 HA ASP 656 -3.723 -8.402 -6.385 30 HB2 ASP 656 HB2 ASP 656 -5.989 -7.178 -4.768 31 HB3 ASP 656 HB1 ASP 656 -5.769 -8.874 -5.198 32 H TYR 657 HN TYR 657 -3.679 -7.671 -8.509 33 HA TYR 657 HA TYR 657 -5.545 -5.857 -9.688 34 HB2 TYR 657 HB2 TYR 657 -3.667 -7.855 -11.041 35 HB3 TYR 657 HB1 TYR 657 -4.527 -6.551 -11.856 36 HD1 TYR 657 HD2 TYR 657 -4.048 -4.105 -10.976 37 HD2 TYR 657 HD1 TYR 657 -1.460 -7.424 -10.219 38 HE1 TYR 657 HE2 TYR 657 -2.191 -2.555 -10.536 39 HE2 TYR 657 HE1 TYR 657 0.396 -5.866 -9.772 40 HH TYR 657 HH TYR 657 -0.054 -2.523 -9.319 41 H ARG 658 HN ARG 658 -7.313 -6.260 -10.997 42 HA ARG 658 HA ARG 658 -8.654 -8.853 -10.616 43 HB2 ARG 658 HB2 ARG 658 -9.661 -6.105 -11.470 44 HB3 ARG 658 HB1 ARG 658 -10.667 -7.541 -11.576 45 HG2 ARG 658 HG2 ARG 658 -11.254 -6.322 -9.579 46 HG3 ARG 658 HG1 ARG 658 -10.463 -7.827 -9.102 47 HD2 ARG 658 HD2 ARG 658 -9.726 -5.884 -7.744 48 HD3 ARG 658 HD1 ARG 658 -8.397 -6.636 -8.627 49 HE ARG 658 HE ARG 658 -9.510 -4.470 -10.112 50 HH11 ARG 658 HH11 ARG 658 -7.370 -5.099 -7.386 51 HH12 ARG 658 HH12 ARG 658 -6.473 -3.633 -7.614 52 HH21 ARG 658 HH21 ARG 658 -8.318 -2.569 -10.378 53 HH22 ARG 658 HH22 ARG 658 -7.013 -2.200 -9.287 54 H PHE 659 HN PHE 659 -8.965 -10.232 -12.274 55 HA PHE 659 HA PHE 659 -8.562 -9.410 -15.061 56 HB2 PHE 659 HB2 PHE 659 -7.310 -11.727 -15.316 57 HB3 PHE 659 HB1 PHE 659 -6.435 -10.301 -14.785 58 HD1 PHE 659 HD1 PHE 659 -7.915 -13.519 -13.625 59 HD2 PHE 659 HD2 PHE 659 -5.440 -10.192 -12.590 60 HE1 PHE 659 HE1 PHE 659 -7.141 -14.707 -11.616 61 HE2 PHE 659 HE2 PHE 659 -4.660 -11.390 -10.597 62 HZ PHE 659 HZ PHE 659 -5.517 -13.646 -10.097 63 H GLU 660 HN GLU 660 -10.869 -9.429 -14.914 64 HA GLU 660 HA GLU 660 -11.970 -11.998 -15.818 65 HB2 GLU 660 HB2 GLU 660 -13.270 -10.259 -13.660 66 HB3 GLU 660 HB1 GLU 660 -14.106 -11.554 -14.516 67 HG2 GLU 660 HG2 GLU 660 -12.557 -13.203 -13.577 68 HG3 GLU 660 HG1 GLU 660 -11.659 -11.929 -12.759 69 H CYS 661 HN CYS 661 -14.118 -11.618 -16.959 70 HA CYS 661 HA CYS 661 -13.764 -9.611 -18.907 71 HB2 CYS 661 HB2 CYS 661 -14.977 -11.739 -19.351 72 HB3 CYS 661 HB1 CYS 661 -16.342 -11.126 -18.401 73 H ILE 662 HN ILE 662 -15.047 -7.763 -19.452 74 HA ILE 662 HA ILE 662 -15.651 -6.052 -17.277 75 HB ILE 662 HB ILE 662 -16.571 -4.460 -19.021 76 HG12 ILE 662 HG12 ILE 662 -15.742 -6.631 -21.009 77 HG13 ILE 662 HG11 ILE 662 -17.407 -6.226 -20.617 78 HG21 ILE 662 HG21 ILE 662 -14.199 -4.420 -18.366 79 HG22 ILE 662 HG22 ILE 662 -14.391 -4.007 -20.069 80 HG23 ILE 662 HG23 ILE 662 -13.817 -5.611 -19.612 81 HD11 ILE 662 HD11 ILE 662 -16.765 -5.250 -22.709 82 HD12 ILE 662 HD12 ILE 662 -15.397 -4.430 -21.960 83 HD13 ILE 662 HD13 ILE 662 -17.050 -3.970 -21.529 84 H CYS 663 HN CYS 663 -17.833 -8.107 -19.245 85 HA CYS 663 HA CYS 663 -20.220 -7.122 -17.910 86 HB2 CYS 663 HB2 CYS 663 -21.476 -8.798 -19.120 87 HB3 CYS 663 HB1 CYS 663 -20.295 -8.141 -20.236 88 H GLY 664 HN GLY 664 -17.741 -9.177 -17.011 89 HA2 GLY 664 HA2 GLY 664 -17.332 -10.612 -15.303 90 HA3 GLY 664 HA1 GLY 664 -18.977 -10.355 -14.713 91 H GLU 665 HN GLU 665 -20.623 -11.443 -15.680 92 HA GLU 665 HA GLU 665 -21.714 -13.430 -15.992 93 HB2 GLU 665 HB2 GLU 665 -21.895 -12.261 -18.105 94 HB3 GLU 665 HB1 GLU 665 -20.355 -12.897 -18.658 95 HG2 GLU 665 HG2 GLU 665 -22.242 -13.995 -19.760 96 HG3 GLU 665 HG1 GLU 665 -21.276 -15.133 -18.834 97 H LEU 666 HN LEU 666 -18.871 -14.191 -17.958 98 HA LEU 666 HA LEU 666 -18.101 -16.571 -16.468 99 HB2 LEU 666 HB2 LEU 666 -19.199 -16.637 -19.319 100 HB3 LEU 666 HB1 LEU 666 -18.227 -17.940 -18.661 101 HG LEU 666 HG LEU 666 -20.907 -17.091 -17.484 102 HD11 LEU 666 HD11 LEU 666 -21.267 -17.888 -19.778 103 HD12 LEU 666 HD12 LEU 666 -21.893 -19.049 -18.609 104 HD13 LEU 666 HD13 LEU 666 -20.360 -19.365 -19.430 105 HD21 LEU 666 HD21 LEU 666 -20.815 -19.287 -16.350 106 HD22 LEU 666 HD22 LEU 666 -19.455 -18.266 -15.891 107 HD23 LEU 666 HD23 LEU 666 -19.216 -19.585 -17.041 108 H ASP 667 HN ASP 667 -16.067 -17.488 -17.491 109 HA ASP 667 HA ASP 667 -15.031 -16.163 -19.872 110 HB2 ASP 667 HB2 ASP 667 -13.431 -16.227 -17.274 111 HB3 ASP 667 HB1 ASP 667 -12.616 -16.227 -18.831 112 H GLN 668 HN GLN 668 -15.739 -18.021 -20.799 113 HA GLN 668 HA GLN 668 -13.879 -20.274 -20.779 114 HB2 GLN 668 HB2 GLN 668 -16.000 -21.818 -21.104 115 HB3 GLN 668 HB1 GLN 668 -15.474 -21.399 -19.491 116 HG2 GLN 668 HG2 GLN 668 -17.929 -21.358 -19.741 117 HG3 GLN 668 HG1 GLN 668 -17.280 -19.806 -19.227 118 HE21 GLN 668 HE21 GLN 668 -17.511 -18.043 -20.567 119 HE22 GLN 668 HE22 GLN 668 -18.474 -18.045 -21.994 120 H ILE 669 HN ILE 669 -14.858 -21.789 -22.830 121 HA ILE 669 HA ILE 669 -15.455 -19.900 -25.056 122 HB ILE 669 HB ILE 669 -13.769 -22.448 -25.284 123 HG12 ILE 669 HG12 ILE 669 -12.857 -19.532 -25.315 124 HG13 ILE 669 HG11 ILE 669 -12.562 -20.679 -24.015 125 HG21 ILE 669 HG21 ILE 669 -14.951 -21.930 -27.394 126 HG22 ILE 669 HG22 ILE 669 -13.216 -21.678 -27.579 127 HG23 ILE 669 HG23 ILE 669 -14.292 -20.293 -27.377 128 HD11 ILE 669 HD11 ILE 669 -11.442 -20.837 -26.813 129 HD12 ILE 669 HD12 ILE 669 -11.145 -22.000 -25.517 130 HD13 ILE 669 HD13 ILE 669 -10.586 -20.337 -25.356 131 H ASP 670 HN ASP 670 -16.604 -22.420 -23.210 132 HA ASP 670 HA ASP 670 -17.712 -24.314 -24.928 133 HB2 ASP 670 HB2 ASP 670 -18.700 -23.375 -22.193 134 HB3 ASP 670 HB1 ASP 670 -19.268 -24.837 -23.000 135 H ARG 671 HN ARG 671 -19.097 -21.266 -23.828 136 HA ARG 671 HA ARG 671 -21.306 -21.501 -25.787 137 HB2 ARG 671 HB2 ARG 671 -22.128 -21.804 -23.433 138 HB3 ARG 671 HB1 ARG 671 -21.439 -20.245 -23.001 139 HG2 ARG 671 HG2 ARG 671 -23.825 -20.003 -23.324 140 HG3 ARG 671 HG1 ARG 671 -22.981 -19.132 -24.605 141 HD2 ARG 671 HD2 ARG 671 -24.900 -20.352 -25.501 142 HD3 ARG 671 HD1 ARG 671 -23.404 -21.002 -26.162 143 HE ARG 671 HE ARG 671 -23.873 -22.609 -24.031 144 HH11 ARG 671 HH11 ARG 671 -25.884 -21.701 -26.769 145 HH12 ARG 671 HH12 ARG 671 -26.741 -23.206 -26.776 146 HH21 ARG 671 HH21 ARG 671 -24.996 -24.567 -24.070 147 HH22 ARG 671 HH22 ARG 671 -26.247 -24.830 -25.239 148 H LYS 672 HN LYS 672 -19.695 -19.174 -23.629 149 HA LYS 672 HA LYS 672 -19.751 -17.103 -25.741 150 HB2 LYS 672 HB2 LYS 672 -19.469 -16.787 -22.722 151 HB3 LYS 672 HB1 LYS 672 -19.539 -15.481 -23.903 152 HG2 LYS 672 HG2 LYS 672 -21.770 -17.467 -23.324 153 HG3 LYS 672 HG1 LYS 672 -21.687 -15.821 -22.682 154 HD2 LYS 672 HD2 LYS 672 -21.899 -16.570 -25.634 155 HD3 LYS 672 HD1 LYS 672 -23.241 -16.030 -24.621 156 HE2 LYS 672 HE2 LYS 672 -22.081 -13.849 -24.292 157 HE3 LYS 672 HE1 LYS 672 -20.776 -14.400 -25.342 158 HZ1 LYS 672 HZ1 LYS 672 -22.326 -13.008 -26.536 159 HZ2 LYS 672 HZ2 LYS 672 -23.609 -14.031 -26.135 160 HZ3 LYS 672 HZ3 LYS 672 -22.379 -14.585 -27.153 161 HA PRO 673 HA PRO 673 -15.405 -18.312 -25.667 162 HB2 PRO 673 HB2 PRO 673 -14.513 -16.852 -27.809 163 HB3 PRO 673 HB1 PRO 673 -15.441 -18.342 -27.973 164 HG2 PRO 673 HG2 PRO 673 -16.381 -15.492 -28.146 165 HG3 PRO 673 HG1 PRO 673 -16.807 -16.875 -29.178 166 HD2 PRO 673 HD2 PRO 673 -18.425 -15.974 -27.151 167 HD3 PRO 673 HD1 PRO 673 -18.390 -17.679 -27.649 168 H ARG 674 HN ARG 674 -13.255 -17.302 -25.393 169 HA ARG 674 HA ARG 674 -13.417 -14.713 -23.963 170 HB2 ARG 674 HB2 ARG 674 -11.950 -15.697 -22.192 171 HB3 ARG 674 HB1 ARG 674 -13.533 -16.470 -22.291 172 HG2 ARG 674 HG2 ARG 674 -12.563 -18.352 -23.539 173 HG3 ARG 674 HG1 ARG 674 -10.972 -17.584 -23.490 174 HD2 ARG 674 HD2 ARG 674 -10.863 -17.823 -21.097 175 HD3 ARG 674 HD1 ARG 674 -12.539 -18.380 -21.026 176 HE ARG 674 HE ARG 674 -10.982 -20.074 -22.702 177 HH11 ARG 674 HH11 ARG 674 -11.472 -19.345 -19.299 178 HH12 ARG 674 HH12 ARG 674 -11.145 -20.969 -18.787 179 HH21 ARG 674 HH21 ARG 674 -10.526 -22.188 -22.016 180 HH22 ARG 674 HH22 ARG 674 -10.583 -22.573 -20.329 181 H VAL 675 HN VAL 675 -11.684 -13.368 -24.153 182 HA VAL 675 HA VAL 675 -9.321 -14.276 -25.681 183 HB VAL 675 HB VAL 675 -8.877 -11.861 -26.192 184 HG11 VAL 675 HG11 VAL 675 -10.667 -11.583 -27.888 185 HG12 VAL 675 HG12 VAL 675 -11.597 -12.862 -27.101 186 HG13 VAL 675 HG13 VAL 675 -10.041 -13.234 -27.843 187 HG21 VAL 675 HG21 VAL 675 -10.080 -10.769 -24.331 188 HG22 VAL 675 HG22 VAL 675 -11.621 -11.316 -24.995 189 HG23 VAL 675 HG23 VAL 675 -10.635 -10.154 -25.890 190 H GLN 676 HN GLN 676 -7.803 -14.895 -24.352 191 HA GLN 676 HA GLN 676 -7.247 -13.715 -21.767 192 HB2 GLN 676 HB2 GLN 676 -6.053 -15.976 -23.410 193 HB3 GLN 676 HB1 GLN 676 -5.081 -15.282 -22.120 194 HG2 GLN 676 HG2 GLN 676 -6.322 -17.334 -21.472 195 HG3 GLN 676 HG1 GLN 676 -6.649 -15.944 -20.445 196 HE21 GLN 676 HE21 GLN 676 -8.723 -15.040 -20.443 197 HE22 GLN 676 HE22 GLN 676 -10.083 -15.833 -21.148 198 H CYS 677 HN CYS 677 -6.717 -11.552 -22.116 199 HA CYS 677 HA CYS 677 -4.968 -10.672 -24.215 200 HB2 CYS 677 HB2 CYS 677 -6.708 -9.199 -23.300 201 HB3 CYS 677 HB1 CYS 677 -5.918 -9.199 -21.736 202 H LEU 678 HN LEU 678 -3.171 -11.874 -23.993 203 HA LEU 678 HA LEU 678 -1.927 -12.783 -21.721 204 HB2 LEU 678 HB2 LEU 678 -0.028 -13.402 -23.217 205 HB3 LEU 678 HB1 LEU 678 -1.596 -13.929 -23.788 206 HG LEU 678 HG LEU 678 -0.615 -11.304 -24.890 207 HD11 LEU 678 HD11 LEU 678 0.827 -12.349 -26.581 208 HD12 LEU 678 HD12 LEU 678 0.615 -13.925 -25.817 209 HD13 LEU 678 HD13 LEU 678 1.461 -12.635 -24.960 210 HD21 LEU 678 HD21 LEU 678 -1.640 -12.130 -26.974 211 HD22 LEU 678 HD22 LEU 678 -2.783 -12.203 -25.638 212 HD23 LEU 678 HD23 LEU 678 -1.993 -13.677 -26.203 213 H LYS 679 HN LYS 679 -1.362 -9.803 -23.422 214 HA LYS 679 HA LYS 679 1.265 -9.295 -22.484 215 HB2 LYS 679 HB2 LYS 679 0.252 -8.360 -24.570 216 HB3 LYS 679 HB1 LYS 679 -0.785 -7.342 -23.585 217 HG2 LYS 679 HG2 LYS 679 1.160 -6.139 -22.710 218 HG3 LYS 679 HG1 LYS 679 2.248 -7.185 -23.633 219 HD2 LYS 679 HD2 LYS 679 0.158 -5.281 -24.808 220 HD3 LYS 679 HD1 LYS 679 1.904 -4.984 -24.745 221 HE2 LYS 679 HE2 LYS 679 2.148 -7.150 -26.145 222 HE3 LYS 679 HE1 LYS 679 0.404 -7.031 -26.410 223 HZ1 LYS 679 HZ1 LYS 679 1.692 -6.027 -28.198 224 HZ2 LYS 679 HZ2 LYS 679 2.399 -4.958 -27.103 225 HZ3 LYS 679 HZ3 LYS 679 0.741 -4.869 -27.407 226 H CYS 680 HN CYS 680 -1.976 -8.250 -21.289 227 HA CYS 680 HA CYS 680 -0.643 -7.102 -18.868 228 HB2 CYS 680 HB2 CYS 680 -2.460 -5.601 -18.574 229 HB3 CYS 680 HB1 CYS 680 -2.161 -5.569 -20.307 230 H HIS 681 HN HIS 681 -2.017 -9.865 -19.841 231 HA HIS 681 HA HIS 681 -2.976 -11.685 -18.937 232 HB2 HIS 681 HB2 HIS 681 -2.012 -10.500 -16.290 233 HB3 HIS 681 HB1 HIS 681 -2.481 -12.176 -16.554 234 HD1 HIS 681 HD1 HIS 681 -0.581 -13.727 -17.056 235 HD2 HIS 681 HD2 HIS 681 0.352 -9.798 -18.039 236 HE1 HIS 681 HE1 HIS 681 1.825 -13.769 -17.787 237 HE2 HIS 681 HE2 HIS 681 2.365 -11.379 -18.369 238 H LEU 682 HN LEU 682 -4.825 -9.780 -19.562 239 HA LEU 682 HA LEU 682 -6.810 -9.691 -17.341 240 HB2 LEU 682 HB2 LEU 682 -5.974 -7.496 -18.386 241 HB3 LEU 682 HB1 LEU 682 -6.749 -7.977 -19.875 242 HG LEU 682 HG LEU 682 -8.016 -6.261 -18.585 243 HD11 LEU 682 HD11 LEU 682 -9.256 -7.701 -20.126 244 HD12 LEU 682 HD12 LEU 682 -10.238 -7.199 -18.753 245 HD13 LEU 682 HD13 LEU 682 -9.578 -8.838 -18.814 246 HD21 LEU 682 HD21 LEU 682 -8.394 -8.412 -16.499 247 HD22 LEU 682 HD22 LEU 682 -9.176 -6.829 -16.516 248 HD23 LEU 682 HD23 LEU 682 -7.428 -6.945 -16.327 249 H TRP 683 HN TRP 683 -8.415 -11.166 -17.574 250 HA TRP 683 HA TRP 683 -8.815 -12.540 -20.130 251 HB2 TRP 683 HB2 TRP 683 -10.358 -13.161 -17.579 252 HB3 TRP 683 HB1 TRP 683 -9.963 -14.237 -18.914 253 HD1 TRP 683 HD1 TRP 683 -9.340 -14.544 -15.654 254 HE1 TRP 683 HE1 TRP 683 -6.978 -15.217 -14.940 255 HE3 TRP 683 HE3 TRP 683 -6.754 -13.307 -19.924 256 HZ2 TRP 683 HZ2 TRP 683 -4.399 -15.257 -15.992 257 HZ3 TRP 683 HZ3 TRP 683 -4.332 -13.707 -19.972 258 HH2 TRP 683 HH2 TRP 683 -3.178 -14.665 -18.041 259 H GLN 684 HN GLN 684 -10.582 -12.220 -21.431 260 HA GLN 684 HA GLN 684 -12.958 -10.812 -20.447 261 HB2 GLN 684 HB2 GLN 684 -11.038 -9.306 -21.716 262 HB3 GLN 684 HB1 GLN 684 -11.931 -9.853 -23.117 263 HG2 GLN 684 HG2 GLN 684 -13.379 -8.160 -22.794 264 HG3 GLN 684 HG1 GLN 684 -13.922 -8.944 -21.315 265 HE21 GLN 684 HE21 GLN 684 -12.805 -8.333 -19.315 266 HE22 GLN 684 HE22 GLN 684 -12.142 -6.763 -19.160 267 H HIS 685 HN HIS 685 -14.587 -10.746 -22.520 268 HA HIS 685 HA HIS 685 -14.526 -13.403 -23.787 269 HB2 HIS 685 HB2 HIS 685 -16.738 -11.367 -23.479 270 HB3 HIS 685 HB1 HIS 685 -16.892 -12.721 -24.585 271 HD2 HIS 685 HD2 HIS 685 -15.978 -15.186 -22.693 272 HE1 HIS 685 HE1 HIS 685 -18.997 -13.673 -20.141 273 HE2 HIS 685 HE2 HIS 685 -17.404 -15.601 -20.570 274 H ALA 686 HN ALA 686 -14.694 -13.668 -26.042 275 HA ALA 686 HA ALA 686 -13.346 -11.822 -27.706 276 HB1 ALA 686 HB1 ALA 686 -13.867 -13.407 -29.522 277 HB2 ALA 686 HB2 ALA 686 -15.028 -14.234 -28.478 278 HB3 ALA 686 HB3 ALA 686 -13.310 -14.257 -28.081 279 H LYS 687 HN LYS 687 -16.806 -12.760 -27.549 280 HA LYS 687 HA LYS 687 -17.638 -10.747 -29.454 281 HB2 LYS 687 HB2 LYS 687 -19.044 -12.865 -27.844 282 HB3 LYS 687 HB1 LYS 687 -20.004 -11.549 -28.478 283 HG2 LYS 687 HG2 LYS 687 -20.172 -13.376 -30.009 284 HG3 LYS 687 HG1 LYS 687 -19.228 -12.103 -30.782 285 HD2 LYS 687 HD2 LYS 687 -17.160 -13.340 -30.444 286 HD3 LYS 687 HD1 LYS 687 -17.986 -14.539 -29.441 287 HE2 LYS 687 HE2 LYS 687 -18.433 -14.048 -32.402 288 HE3 LYS 687 HE1 LYS 687 -17.567 -15.408 -31.687 289 HZ1 LYS 687 HZ1 LYS 687 -19.613 -16.138 -30.654 290 HZ2 LYS 687 HZ2 LYS 687 -19.818 -16.006 -32.328 291 HZ3 LYS 687 HZ3 LYS 687 -20.455 -14.822 -31.304 292 H CYS 688 HN CYS 688 -16.576 -10.321 -26.406 293 HA CYS 688 HA CYS 688 -18.362 -8.031 -25.832 294 HB2 CYS 688 HB2 CYS 688 -16.318 -9.439 -24.081 295 HB3 CYS 688 HB1 CYS 688 -17.055 -7.900 -23.639 296 H VAL 689 HN VAL 689 -15.490 -8.747 -27.454 297 HA VAL 689 HA VAL 689 -14.425 -5.993 -27.132 298 HB VAL 689 HB VAL 689 -12.141 -6.774 -27.299 299 HG11 VAL 689 HG11 VAL 689 -13.616 -8.458 -25.234 300 HG12 VAL 689 HG12 VAL 689 -13.089 -6.789 -25.030 301 HG13 VAL 689 HG13 VAL 689 -11.892 -8.072 -25.198 302 HG21 VAL 689 HG21 VAL 689 -12.421 -8.670 -28.841 303 HG22 VAL 689 HG22 VAL 689 -13.210 -9.613 -27.578 304 HG23 VAL 689 HG23 VAL 689 -11.505 -9.179 -27.418 305 H ASN 690 HN ASN 690 -16.139 -7.676 -29.173 306 HA ASN 690 HA ASN 690 -16.535 -7.910 -31.378 307 HB2 ASN 690 HB2 ASN 690 -16.318 -5.402 -31.375 308 HB3 ASN 690 HB1 ASN 690 -14.614 -5.562 -31.785 309 HD21 ASN 690 HD21 ASN 690 -17.901 -5.891 -32.952 310 HD22 ASN 690 HD22 ASN 690 -17.506 -6.007 -34.629 311 H TYR 691 HN TYR 691 -15.593 -9.952 -31.376 312 HA TYR 691 HA TYR 691 -13.298 -10.523 -32.993 313 HB2 TYR 691 HB2 TYR 691 -12.307 -9.585 -30.802 314 HB3 TYR 691 HB1 TYR 691 -13.008 -10.959 -29.969 315 HD1 TYR 691 HD2 TYR 691 -10.328 -9.832 -32.236 316 HD2 TYR 691 HD1 TYR 691 -11.988 -13.189 -30.195 317 HE1 TYR 691 HE2 TYR 691 -8.258 -11.095 -32.610 318 HE2 TYR 691 HE1 TYR 691 -9.922 -14.425 -30.558 319 HH TYR 691 HH TYR 691 -7.054 -13.042 -31.569 320 H ASP 692 HN ASP 692 -13.171 -12.902 -33.292 321 HA ASP 692 HA ASP 692 -15.420 -14.425 -32.067 322 HB2 ASP 692 HB2 ASP 692 -14.385 -14.846 -34.906 323 HB3 ASP 692 HB1 ASP 692 -15.776 -15.620 -34.133 324 H GLU 693 HN GLU 693 -15.095 -16.749 -31.902 325 HA GLU 693 HA GLU 693 -12.502 -17.333 -30.892 326 HB2 GLU 693 HB2 GLU 693 -13.383 -19.537 -30.251 327 HB3 GLU 693 HB1 GLU 693 -14.384 -18.212 -29.705 328 HG2 GLU 693 HG2 GLU 693 -15.983 -19.712 -30.401 329 HG3 GLU 693 HG1 GLU 693 -15.796 -18.701 -31.842 330 H LYS 694 HN LYS 694 -14.071 -17.901 -33.895 331 HA LYS 694 HA LYS 694 -12.660 -19.991 -35.052 332 HB2 LYS 694 HB2 LYS 694 -13.623 -17.428 -36.400 333 HB3 LYS 694 HB1 LYS 694 -13.048 -18.838 -37.272 334 HG2 LYS 694 HG2 LYS 694 -15.368 -19.034 -37.406 335 HG3 LYS 694 HG1 LYS 694 -14.950 -20.139 -36.096 336 HD2 LYS 694 HD2 LYS 694 -15.648 -18.430 -34.440 337 HD3 LYS 694 HD1 LYS 694 -16.024 -17.304 -35.751 338 HE2 LYS 694 HE2 LYS 694 -18.069 -18.353 -34.911 339 HE3 LYS 694 HE1 LYS 694 -17.770 -18.875 -36.567 340 HZ1 LYS 694 HZ1 LYS 694 -18.429 -20.732 -35.231 341 HZ2 LYS 694 HZ2 LYS 694 -17.219 -20.419 -34.091 342 HZ3 LYS 694 HZ3 LYS 694 -16.802 -20.926 -35.645 343 H ASN 695 HN ASN 695 -11.728 -16.600 -34.704 344 HA ASN 695 HA ASN 695 -9.037 -17.124 -35.811 345 HB2 ASN 695 HB2 ASN 695 -8.880 -14.622 -35.981 346 HB3 ASN 695 HB1 ASN 695 -10.162 -15.318 -36.955 347 HD21 ASN 695 HD21 ASN 695 -9.412 -13.418 -34.148 348 HD22 ASN 695 HD22 ASN 695 -10.991 -12.744 -33.924 349 H LEU 696 HN LEU 696 -10.518 -17.075 -32.858 350 HA LEU 696 HA LEU 696 -8.616 -15.781 -31.153 351 HB2 LEU 696 HB2 LEU 696 -10.902 -16.335 -30.440 352 HB3 LEU 696 HB1 LEU 696 -10.586 -18.040 -30.663 353 HG LEU 696 HG LEU 696 -8.918 -17.902 -28.758 354 HD11 LEU 696 HD11 LEU 696 -9.076 -16.000 -27.226 355 HD12 LEU 696 HD12 LEU 696 -10.132 -15.155 -28.358 356 HD13 LEU 696 HD13 LEU 696 -8.461 -15.510 -28.802 357 HD21 LEU 696 HD21 LEU 696 -11.186 -18.818 -28.460 358 HD22 LEU 696 HD22 LEU 696 -11.807 -17.202 -28.113 359 HD23 LEU 696 HD23 LEU 696 -10.652 -17.960 -27.014 360 H LYS 697 HN LYS 697 -9.113 -19.090 -32.253 361 HA LYS 697 HA LYS 697 -6.846 -20.221 -30.895 362 HB2 LYS 697 HB2 LYS 697 -9.015 -21.182 -32.705 363 HB3 LYS 697 HB1 LYS 697 -7.534 -22.118 -32.785 364 HG2 LYS 697 HG2 LYS 697 -9.102 -23.122 -31.224 365 HG3 LYS 697 HG1 LYS 697 -7.674 -22.552 -30.358 366 HD2 LYS 697 HD2 LYS 697 -9.479 -21.903 -28.971 367 HD3 LYS 697 HD1 LYS 697 -9.069 -20.428 -29.851 368 HE2 LYS 697 HE2 LYS 697 -11.487 -20.667 -29.794 369 HE3 LYS 697 HE1 LYS 697 -10.911 -20.895 -31.441 370 HZ1 LYS 697 HZ1 LYS 697 -11.669 -23.070 -29.584 371 HZ2 LYS 697 HZ2 LYS 697 -11.098 -23.267 -31.163 372 HZ3 LYS 697 HZ3 LYS 697 -12.584 -22.507 -30.892 373 H ILE 698 HN ILE 698 -6.925 -18.206 -33.557 374 HA ILE 698 HA ILE 698 -4.535 -19.412 -34.859 375 HB ILE 698 HB ILE 698 -6.304 -17.245 -36.095 376 HG12 ILE 698 HG12 ILE 698 -6.639 -20.267 -36.404 377 HG13 ILE 698 HG11 ILE 698 -7.763 -19.144 -35.624 378 HG21 ILE 698 HG21 ILE 698 -4.361 -19.214 -37.378 379 HG22 ILE 698 HG22 ILE 698 -4.062 -17.500 -37.082 380 HG23 ILE 698 HG23 ILE 698 -5.311 -17.987 -38.224 381 HD11 ILE 698 HD11 ILE 698 -7.064 -19.225 -38.557 382 HD12 ILE 698 HD12 ILE 698 -8.130 -18.040 -37.793 383 HD13 ILE 698 HD13 ILE 698 -8.566 -19.751 -37.799 384 H LYS 699 HN LYS 699 -6.009 -16.236 -34.299 385 HA LYS 699 HA LYS 699 -3.437 -14.877 -34.650 386 HB2 LYS 699 HB2 LYS 699 -6.329 -13.933 -34.693 387 HB3 LYS 699 HB1 LYS 699 -4.956 -12.876 -35.003 388 HG2 LYS 699 HG2 LYS 699 -4.438 -13.927 -37.050 389 HG3 LYS 699 HG1 LYS 699 -5.361 -15.367 -36.653 390 HD2 LYS 699 HD2 LYS 699 -6.533 -14.082 -38.360 391 HD3 LYS 699 HD1 LYS 699 -7.459 -14.095 -36.858 392 HE2 LYS 699 HE2 LYS 699 -6.602 -11.824 -36.339 393 HE3 LYS 699 HE1 LYS 699 -5.720 -11.825 -37.868 394 HZ1 LYS 699 HZ1 LYS 699 -8.663 -11.948 -37.515 395 HZ2 LYS 699 HZ2 LYS 699 -7.870 -12.071 -39.006 396 HZ3 LYS 699 HZ3 LYS 699 -7.767 -10.642 -38.108 397 HA PRO 700 HA PRO 700 -3.060 -13.139 -30.410 398 HB2 PRO 700 HB2 PRO 700 -2.586 -10.452 -31.055 399 HB3 PRO 700 HB1 PRO 700 -1.355 -11.725 -31.074 400 HG2 PRO 700 HG2 PRO 700 -3.047 -10.694 -33.365 401 HG3 PRO 700 HG1 PRO 700 -1.281 -10.928 -33.306 402 HD2 PRO 700 HD2 PRO 700 -2.777 -12.742 -34.490 403 HD3 PRO 700 HD1 PRO 700 -1.500 -13.302 -33.381 404 H PHE 701 HN PHE 701 -4.144 -11.744 -28.899 405 HA PHE 701 HA PHE 701 -6.613 -10.406 -29.653 406 HB2 PHE 701 HB2 PHE 701 -7.839 -11.914 -27.845 407 HB3 PHE 701 HB1 PHE 701 -7.693 -12.466 -29.501 408 HD1 PHE 701 HD1 PHE 701 -6.443 -12.956 -26.043 409 HD2 PHE 701 HD2 PHE 701 -6.356 -14.386 -30.069 410 HE1 PHE 701 HE1 PHE 701 -5.360 -15.043 -25.301 411 HE2 PHE 701 HE2 PHE 701 -5.280 -16.452 -29.315 412 HZ PHE 701 HZ PHE 701 -4.774 -16.781 -26.935 413 H TYR 702 HN TYR 702 -7.123 -8.814 -28.254 414 HA TYR 702 HA TYR 702 -5.737 -8.616 -25.655 415 HB2 TYR 702 HB2 TYR 702 -5.708 -6.376 -27.739 416 HB3 TYR 702 HB1 TYR 702 -4.956 -6.329 -26.146 417 HD1 TYR 702 HD1 TYR 702 -3.157 -8.267 -25.709 418 HD2 TYR 702 HD2 TYR 702 -4.345 -6.928 -29.591 419 HE1 TYR 702 HE1 TYR 702 -1.101 -9.218 -26.654 420 HE2 TYR 702 HE2 TYR 702 -2.284 -7.867 -30.542 421 HH TYR 702 HH TYR 702 -0.273 -10.012 -28.843 422 H CYS 703 HN CYS 703 -6.683 -7.037 -24.230 423 HA CYS 703 HA CYS 703 -9.584 -6.840 -24.432 424 HB2 CYS 703 HB2 CYS 703 -9.537 -6.299 -22.096 425 HB3 CYS 703 HB1 CYS 703 -8.307 -7.539 -22.316 426 HA PRO 704 HA PRO 704 -9.966 -2.739 -26.081 427 HB2 PRO 704 HB2 PRO 704 -11.837 -2.094 -23.795 428 HB3 PRO 704 HB1 PRO 704 -12.077 -1.887 -25.538 429 HG2 PRO 704 HG2 PRO 704 -13.241 -3.903 -24.289 430 HG3 PRO 704 HG1 PRO 704 -12.482 -4.186 -25.873 431 HD2 PRO 704 HD2 PRO 704 -11.441 -4.846 -23.118 432 HD3 PRO 704 HD1 PRO 704 -11.384 -5.818 -24.603 433 H HIS 705 HN HIS 705 -9.414 -2.832 -22.583 434 HA HIS 705 HA HIS 705 -8.677 -0.167 -22.119 435 HB2 HIS 705 HB2 HIS 705 -9.085 -1.823 -20.313 436 HB3 HIS 705 HB1 HIS 705 -7.597 -2.661 -20.738 437 HD1 HIS 705 HD1 HIS 705 -8.901 0.280 -18.854 438 HD2 HIS 705 HD2 HIS 705 -5.202 -1.297 -19.917 439 HE1 HIS 705 HE1 HIS 705 -7.219 1.475 -17.417 440 HE2 HIS 705 HE2 HIS 705 -4.986 0.634 -18.215 441 H CYS 706 HN CYS 706 -6.714 -2.902 -23.279 442 HA CYS 706 HA CYS 706 -4.240 -1.447 -23.398 443 HB2 CYS 706 HB2 CYS 706 -5.063 -4.079 -24.658 444 HB3 CYS 706 HB1 CYS 706 -3.455 -3.385 -24.821 445 H LEU 707 HN LEU 707 -6.863 -2.045 -25.692 446 HA LEU 707 HA LEU 707 -5.551 -1.097 -28.017 447 HB2 LEU 707 HB2 LEU 707 -8.469 -1.429 -27.275 448 HB3 LEU 707 HB1 LEU 707 -8.040 -0.592 -28.755 449 HG LEU 707 HG LEU 707 -6.798 -2.637 -29.519 450 HD11 LEU 707 HD11 LEU 707 -8.055 -4.015 -27.134 451 HD12 LEU 707 HD12 LEU 707 -6.335 -3.679 -27.353 452 HD13 LEU 707 HD13 LEU 707 -7.159 -4.791 -28.445 453 HD21 LEU 707 HD21 LEU 707 -8.781 -3.932 -30.159 454 HD22 LEU 707 HD22 LEU 707 -9.086 -2.204 -30.315 455 HD23 LEU 707 HD23 LEU 707 -9.745 -3.095 -28.940 456 H VAL 708 HN VAL 708 -7.604 0.553 -25.623 457 HA VAL 708 HA VAL 708 -7.419 3.170 -26.737 458 HB VAL 708 HB VAL 708 -8.111 2.346 -23.874 459 HG11 VAL 708 HG11 VAL 708 -7.583 4.748 -24.008 460 HG12 VAL 708 HG12 VAL 708 -9.305 4.511 -23.712 461 HG13 VAL 708 HG13 VAL 708 -8.739 4.947 -25.328 462 HG21 VAL 708 HG21 VAL 708 -9.974 2.807 -26.239 463 HG22 VAL 708 HG22 VAL 708 -10.483 2.474 -24.581 464 HG23 VAL 708 HG23 VAL 708 -9.605 1.250 -25.496 465 H ALA 709 HN ALA 709 -5.472 1.348 -24.420 466 HA ALA 709 HA ALA 709 -3.825 3.508 -23.506 467 HB1 ALA 709 HB1 ALA 709 -2.395 1.764 -22.522 468 HB2 ALA 709 HB2 ALA 709 -3.258 0.521 -23.433 469 HB3 ALA 709 HB3 ALA 709 -4.098 1.443 -22.185 470 H MET 710 HN MET 710 -3.724 1.356 -26.271 471 HA MET 710 HA MET 710 -1.032 2.081 -27.079 472 HB2 MET 710 HB2 MET 710 -3.218 0.461 -28.447 473 HB3 MET 710 HB1 MET 710 -1.684 0.826 -29.228 474 HG2 MET 710 HG2 MET 710 -0.508 -0.320 -27.343 475 HG3 MET 710 HG1 MET 710 -2.079 -0.786 -26.695 476 HE1 MET 710 HE1 MET 710 -3.752 -1.538 -29.322 477 HE2 MET 710 HE2 MET 710 -3.710 -2.589 -27.904 478 HE3 MET 710 HE3 MET 710 -3.378 -3.250 -29.506 479 H GLU 711 HN GLU 711 -4.318 3.155 -27.755 480 HA GLU 711 HA GLU 711 -3.596 4.954 -29.882 481 HB2 GLU 711 HB2 GLU 711 -6.077 4.962 -28.099 482 HB3 GLU 711 HB1 GLU 711 -5.864 5.917 -29.564 483 HG2 GLU 711 HG2 GLU 711 -6.235 2.929 -29.306 484 HG3 GLU 711 HG1 GLU 711 -7.242 4.092 -30.161 485 HA PRO 712 HA PRO 712 -1.889 8.212 -27.270 486 HB2 PRO 712 HB2 PRO 712 -2.195 10.386 -28.918 487 HB3 PRO 712 HB1 PRO 712 -0.978 9.131 -29.197 488 HG2 PRO 712 HG2 PRO 712 -3.705 9.444 -30.458 489 HG3 PRO 712 HG1 PRO 712 -2.147 9.089 -31.238 490 HD2 PRO 712 HD2 PRO 712 -3.944 7.136 -30.685 491 HD3 PRO 712 HD1 PRO 712 -2.194 6.840 -30.596 492 H VAL 713 HN VAL 713 -2.518 10.237 -26.166 493 HA VAL 713 HA VAL 713 -5.232 10.001 -25.195 494 HB VAL 713 HB VAL 713 -4.592 11.692 -23.485 495 HG11 VAL 713 HG11 VAL 713 -2.516 9.482 -23.819 496 HG12 VAL 713 HG12 VAL 713 -4.103 9.308 -23.064 497 HG13 VAL 713 HG13 VAL 713 -2.883 10.339 -22.317 498 HG21 VAL 713 HG21 VAL 713 -3.081 13.104 -24.844 499 HG22 VAL 713 HG22 VAL 713 -1.895 11.800 -24.913 500 HG23 VAL 713 HG23 VAL 713 -2.270 12.570 -23.368 501 H SER 714 HN SER 714 -6.835 11.558 -25.172 502 HA SER 714 HA SER 714 -6.562 13.884 -26.991 503 HB2 SER 714 HB2 SER 714 -8.045 12.144 -27.981 504 HB3 SER 714 HB1 SER 714 -9.054 12.168 -26.538 505 HG SER 714 HG SER 714 -8.667 14.254 -28.424 506 H THR 715 HN THR 715 -6.100 15.367 -25.390 507 HA THR 715 HA THR 715 -7.666 15.728 -23.016 508 HB THR 715 HB THR 715 -5.895 17.781 -24.425 509 HG1 THR 715 HG1 THR 715 -4.232 16.768 -23.567 510 HG21 THR 715 HG21 THR 715 -7.418 18.746 -22.696 511 HG22 THR 715 HG22 THR 715 -5.725 18.825 -22.196 512 HG23 THR 715 HG23 THR 715 -6.785 17.590 -21.516 513 H ARG 716 HN ARG 716 -9.776 16.164 -23.216 514 HA ARG 716 HA ARG 716 -10.688 18.265 -25.099 515 HB2 ARG 716 HB2 ARG 716 -12.042 15.663 -24.318 516 HB3 ARG 716 HB1 ARG 716 -12.914 16.987 -25.092 517 HG2 ARG 716 HG2 ARG 716 -10.562 15.465 -26.263 518 HG3 ARG 716 HG1 ARG 716 -12.255 15.279 -26.735 519 HD2 ARG 716 HD2 ARG 716 -10.461 17.702 -27.144 520 HD3 ARG 716 HD1 ARG 716 -11.139 16.647 -28.392 521 HE ARG 716 HE ARG 716 -13.231 17.832 -26.883 522 HH11 ARG 716 HH11 ARG 716 -10.881 18.724 -29.340 523 HH12 ARG 716 HH12 ARG 716 -11.833 20.046 -29.928 524 HH21 ARG 716 HH21 ARG 716 -14.450 19.576 -27.670 525 HH22 ARG 716 HH22 ARG 716 -13.846 20.522 -28.993
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