NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631067 | 6e86 | 30502 | cing | 1-original | 6 | MR format | nomenclature mapping |
Start of MODEL 1 1 H1 GLY 811 H1 GLY 1 -7.753 29.946 1.297 2 H2 GLY 811 H2 GLY 1 -6.878 29.601 2.635 3 H3 GLY 811 H3 GLY 1 -7.919 28.489 2.036 4 HA2 GLY 811 HA2 GLY 1 -6.612 28.266 0.005 5 HA3 GLY 811 HA3 GLY 1 -5.483 29.462 0.669 6 HA PRO 812 HA PRO 2 -3.833 25.255 1.699 7 HB2 PRO 812 HB2 PRO 2 -1.297 26.786 1.137 8 HB3 PRO 812 HB3 PRO 2 -1.722 25.090 0.734 9 HG2 PRO 812 HG2 PRO 2 -1.839 27.017 -1.175 10 HG3 PRO 812 HG3 PRO 2 -3.196 25.847 -1.035 11 HD2 PRO 812 HD2 PRO 2 -3.014 28.651 0.127 12 HD3 PRO 812 HD3 PRO 2 -4.324 27.917 -0.853 13 H LEU 813 H LEU 3 -1.817 24.738 3.048 14 HA LEU 813 HA LEU 3 -0.852 24.486 5.030 15 HB2 LEU 813 HB2 LEU 3 -1.259 27.377 5.719 16 HB3 LEU 813 HB3 LEU 3 -0.107 26.251 6.405 17 HG LEU 813 HG LEU 3 -0.065 27.452 3.597 18 HD11 LEU 813 HD11 LEU 3 2.005 28.508 4.417 19 HD12 LEU 813 HD12 LEU 3 1.799 27.705 5.994 20 HD13 LEU 813 HD13 LEU 3 0.630 28.931 5.457 21 HD21 LEU 813 HD21 LEU 3 1.876 25.470 4.862 22 HD22 LEU 813 HD22 LEU 3 2.128 26.333 3.331 23 HD23 LEU 813 HD23 LEU 3 0.810 25.170 3.459 24 H GLY 814 H GLY 4 -1.669 23.308 6.517 25 HA2 GLY 814 HA2 GLY 4 -2.949 22.573 8.311 26 HA3 GLY 814 HA3 GLY 4 -3.643 24.189 8.464 27 H SER 815 H SER 5 -4.035 23.035 5.307 28 HA SER 815 HA SER 5 -6.779 22.029 5.744 29 HB2 SER 815 HB2 SER 5 -7.461 23.603 3.958 30 HB3 SER 815 HB3 SER 5 -6.677 24.455 5.307 31 HG SER 815 HG SER 5 -5.836 25.150 3.298 32 H VAL 816 H VAL 6 -3.895 21.033 4.489 33 HA VAL 816 HA VAL 6 -4.471 20.464 1.754 34 HB VAL 816 HB VAL 6 -2.358 19.446 3.694 35 HG11 VAL 816 HG11 VAL 6 -0.936 19.033 1.794 36 HG12 VAL 816 HG12 VAL 6 -2.268 19.451 0.687 37 HG13 VAL 816 HG13 VAL 6 -2.399 18.034 1.775 38 HG21 VAL 816 HG21 VAL 6 -0.924 21.177 2.922 39 HG22 VAL 816 HG22 VAL 6 -2.395 21.977 3.413 40 HG23 VAL 816 HG23 VAL 6 -2.102 21.716 1.681 41 H GLN 817 H GLN 7 -5.399 18.765 0.824 42 HA GLN 817 HA GLN 7 -6.175 16.439 2.540 43 HB2 GLN 817 HB2 GLN 7 -7.915 16.103 0.828 44 HB3 GLN 817 HB3 GLN 7 -8.079 17.584 1.768 45 HG2 GLN 817 HG2 GLN 7 -8.146 18.875 -0.027 46 HG3 GLN 817 HG3 GLN 7 -6.619 18.273 -0.604 47 HE21 GLN 817 HE21 GLN 7 -6.617 16.186 -1.786 48 HE22 GLN 817 HE22 GLN 7 -7.989 15.861 -2.862 49 H HIS 818 H HIS 8 -5.063 14.591 2.267 50 HA HIS 818 HA HIS 8 -3.813 14.102 -0.409 51 HB2 HIS 818 HB2 HIS 8 -2.764 13.910 2.330 52 HB3 HIS 818 HB3 HIS 8 -2.440 12.521 1.315 53 HD2 HIS 818 HD2 HIS 8 -1.310 16.034 1.836 54 HE1 HIS 818 HE1 HIS 8 0.173 15.041 -2.028 55 HE2 HIS 818 HE2 HIS 8 0.168 16.810 -0.227 56 H VAL 819 H VAL 9 -5.963 13.506 -0.972 57 HA VAL 819 HA VAL 9 -7.133 10.962 -0.414 58 HB VAL 819 HB VAL 9 -7.173 12.701 -2.881 59 HG11 VAL 819 HG11 VAL 9 -8.920 10.313 -2.136 60 HG12 VAL 819 HG12 VAL 9 -7.774 10.378 -3.503 61 HG13 VAL 819 HG13 VAL 9 -9.197 11.428 -3.492 62 HG21 VAL 819 HG21 VAL 9 -9.435 13.275 -1.993 63 HG22 VAL 819 HG22 VAL 9 -8.172 13.731 -0.849 64 HG23 VAL 819 HG23 VAL 9 -9.127 12.258 -0.564 65 H GLY 820 H GLY 10 -6.234 9.045 -0.572 66 HA2 GLY 820 HA2 GLY 10 -5.065 7.313 -1.741 67 HA3 GLY 820 HA3 GLY 10 -4.054 8.513 -2.542 68 H PHE 821 H PHE 11 -4.173 9.457 0.723 69 HA PHE 821 HA PHE 11 -1.964 7.590 1.521 70 HB2 PHE 821 HB2 PHE 11 -1.899 10.564 1.954 71 HB3 PHE 821 HB3 PHE 11 -0.654 9.396 2.319 72 HD1 PHE 821 HD1 PHE 11 1.107 9.083 0.783 73 HD2 PHE 821 HD2 PHE 11 -2.520 11.014 -0.474 74 HE1 PHE 821 HE1 PHE 11 2.194 9.746 -1.366 75 HE2 PHE 821 HE2 PHE 11 -1.421 11.765 -2.551 76 HZ PHE 821 HZ PHE 11 0.942 11.209 -2.962 77 H LYS 822 H LYS 12 -3.378 6.484 2.844 78 HA LYS 822 HA LYS 12 -4.699 7.874 5.140 79 HB2 LYS 822 HB2 LYS 12 -6.052 6.227 4.149 80 HB3 LYS 822 HB3 LYS 12 -4.780 5.132 3.905 81 HG2 LYS 822 HG2 LYS 12 -5.123 5.421 6.804 82 HG3 LYS 822 HG3 LYS 12 -6.691 5.387 6.085 83 HD2 LYS 822 HD2 LYS 12 -6.198 3.194 6.715 84 HD3 LYS 822 HD3 LYS 12 -6.167 3.237 4.948 85 HE2 LYS 822 HE2 LYS 12 -3.681 3.300 5.006 86 HE3 LYS 822 HE3 LYS 12 -3.715 3.359 6.776 87 HZ1 LYS 822 HZ1 LYS 12 -4.773 1.144 6.774 88 HZ2 LYS 822 HZ2 LYS 12 -3.346 1.066 5.992 89 HZ3 LYS 822 HZ3 LYS 12 -4.746 1.076 5.145 90 H CYS 823 H CYS 13 -3.963 7.689 7.240 91 HA CYS 823 HA CYS 13 -1.137 7.581 7.606 92 HB2 CYS 823 HB2 CYS 13 -2.696 9.070 8.791 93 HB3 CYS 823 HB3 CYS 13 -3.462 7.672 9.518 94 H ASP 824 H ASP 14 0.051 6.335 8.924 95 HA ASP 824 HA ASP 14 -0.654 3.427 9.161 96 HB2 ASP 824 HB2 ASP 14 1.986 4.937 9.155 97 HB3 ASP 824 HB3 ASP 14 1.839 3.245 9.605 98 H ASN 825 H ASN 15 0.195 6.254 11.082 99 HA ASN 825 HA ASN 15 0.686 4.849 13.552 100 HB2 ASN 825 HB2 ASN 15 1.397 7.168 13.081 101 HB3 ASN 825 HB3 ASN 15 -0.294 7.699 13.153 102 HD21 ASN 825 HD21 ASN 15 -0.033 9.051 14.957 103 HD22 ASN 825 HD22 ASN 15 0.344 8.385 16.556 104 H CYS 826 H CYS 16 -2.234 6.736 12.564 105 HA CYS 826 HA CYS 16 -3.775 5.307 14.640 106 HB2 CYS 826 HB2 CYS 16 -4.984 7.274 14.945 107 HB3 CYS 826 HB3 CYS 16 -3.307 7.801 14.807 108 H GLY 827 H GLY 17 -3.556 5.516 11.230 109 HA2 GLY 827 HA2 GLY 17 -4.527 4.063 9.756 110 HA3 GLY 827 HA3 GLY 17 -5.712 3.583 10.944 111 H ILE 828 H ILE 18 -5.534 6.997 10.742 112 HA ILE 828 HA ILE 18 -8.127 7.237 9.725 113 HB ILE 828 HB ILE 18 -7.142 8.870 11.218 114 HG12 ILE 828 HG12 ILE 18 -7.799 10.278 8.605 115 HG13 ILE 828 HG13 ILE 18 -9.021 9.467 9.542 116 HG21 ILE 828 HG21 ILE 18 -4.812 8.928 10.278 117 HG22 ILE 828 HG22 ILE 18 -5.527 10.511 10.480 118 HG23 ILE 828 HG23 ILE 18 -5.403 9.796 8.868 119 HD11 ILE 828 HD11 ILE 18 -7.353 11.828 10.483 120 HD12 ILE 828 HD12 ILE 18 -8.496 10.925 11.502 121 HD13 ILE 828 HD13 ILE 18 -9.078 11.814 10.081 122 H GLU 829 H GLU 19 -8.952 7.792 7.838 123 HA GLU 829 HA GLU 19 -7.789 7.066 5.377 124 HB2 GLU 829 HB2 GLU 19 -9.727 8.708 4.602 125 HB3 GLU 829 HB3 GLU 19 -10.014 7.050 5.029 126 HG2 GLU 829 HG2 GLU 19 -10.832 7.751 7.255 127 HG3 GLU 829 HG3 GLU 19 -10.327 9.416 6.937 128 HA PRO 830 HA PRO 20 -5.525 9.959 3.060 129 HB2 PRO 830 HB2 PRO 20 -8.270 11.203 2.761 130 HB3 PRO 830 HB3 PRO 20 -6.935 11.041 1.576 131 HG2 PRO 830 HG2 PRO 20 -9.073 9.294 2.016 132 HG3 PRO 830 HG3 PRO 20 -7.650 8.940 0.991 133 HD2 PRO 830 HD2 PRO 20 -8.162 7.562 3.304 134 HD3 PRO 830 HD3 PRO 20 -6.535 7.834 2.637 135 H ILE 831 H ILE 21 -4.225 10.859 4.529 136 HA ILE 831 HA ILE 21 -4.808 12.353 6.747 137 HB ILE 831 HB ILE 21 -2.366 12.401 4.960 138 HG12 ILE 831 HG12 ILE 21 -2.672 11.084 7.693 139 HG13 ILE 831 HG13 ILE 21 -3.219 10.256 6.256 140 HG21 ILE 831 HG21 ILE 21 -2.231 14.482 6.231 141 HG22 ILE 831 HG22 ILE 21 -1.107 13.333 6.952 142 HG23 ILE 831 HG23 ILE 21 -2.662 13.638 7.730 143 HD11 ILE 831 HD11 ILE 21 -1.033 10.339 5.236 144 HD12 ILE 831 HD12 ILE 21 -0.926 9.611 6.854 145 HD13 ILE 831 HD13 ILE 21 -0.378 11.268 6.599 146 H GLN 832 H GLN 22 -5.100 14.346 7.420 147 HA GLN 832 HA GLN 22 -5.578 16.418 5.325 148 HB2 GLN 832 HB2 GLN 22 -6.981 16.097 7.993 149 HB3 GLN 832 HB3 GLN 22 -7.293 17.323 6.759 150 HG2 GLN 832 HG2 GLN 22 -7.681 14.332 6.294 151 HG3 GLN 832 HG3 GLN 22 -8.936 15.418 6.829 152 HE21 GLN 832 HE21 GLN 22 -7.951 13.906 4.105 153 HE22 GLN 832 HE22 GLN 22 -8.617 15.066 2.950 154 H GLY 833 H GLY 23 -4.717 18.377 5.541 155 HA2 GLY 833 HA2 GLY 23 -4.167 20.294 6.982 156 HA3 GLY 833 HA3 GLY 23 -3.376 19.214 8.079 157 H VAL 834 H VAL 24 -1.704 17.828 7.062 158 HA VAL 834 HA VAL 24 -0.017 18.803 4.918 159 HB VAL 834 HB VAL 24 0.509 20.127 6.977 160 HG11 VAL 834 HG11 VAL 24 1.603 19.202 8.876 161 HG12 VAL 834 HG12 VAL 24 1.504 17.561 8.186 162 HG13 VAL 834 HG13 VAL 24 0.014 18.437 8.651 163 HG21 VAL 834 HG21 VAL 24 2.313 19.819 5.352 164 HG22 VAL 834 HG22 VAL 24 2.749 18.255 6.099 165 HG23 VAL 834 HG23 VAL 24 2.976 19.772 6.983 166 H ARG 835 H ARG 25 1.056 16.922 4.059 167 HA ARG 835 HA ARG 25 0.458 14.341 5.478 168 HB2 ARG 835 HB2 ARG 25 -0.083 14.423 3.119 169 HB3 ARG 835 HB3 ARG 25 1.587 14.819 2.695 170 HG2 ARG 835 HG2 ARG 25 2.340 12.619 3.491 171 HG3 ARG 835 HG3 ARG 25 0.715 12.265 4.113 172 HD2 ARG 835 HD2 ARG 25 0.948 11.112 2.062 173 HD3 ARG 835 HD3 ARG 25 -0.161 12.428 1.779 174 HE ARG 835 HE ARG 25 1.333 13.391 0.291 175 HH11 ARG 835 HH11 ARG 25 2.892 10.634 1.836 176 HH12 ARG 835 HH12 ARG 25 4.253 10.688 0.750 177 HH21 ARG 835 HH21 ARG 25 3.145 13.373 -1.078 178 HH22 ARG 835 HH22 ARG 25 4.365 12.160 -0.857 179 H TRP 836 H TRP 26 2.226 12.827 5.850 180 HA TRP 836 HA TRP 26 4.897 14.146 6.092 181 HB2 TRP 836 HB2 TRP 26 3.604 12.522 8.297 182 HB3 TRP 836 HB3 TRP 26 5.290 12.811 8.142 183 HD1 TRP 836 HD1 TRP 26 2.150 14.879 8.916 184 HE1 TRP 836 HE1 TRP 26 2.953 17.077 10.043 185 HE3 TRP 836 HE3 TRP 26 7.121 14.598 7.875 186 HZ2 TRP 836 HZ2 TRP 26 5.453 18.265 10.785 187 HZ3 TRP 836 HZ3 TRP 26 8.737 16.143 8.939 188 HH2 TRP 836 HH2 TRP 26 7.933 17.946 10.438 189 H HIS 837 H HIS 27 5.832 13.271 4.472 190 HA HIS 837 HA HIS 27 5.396 10.454 3.644 191 HB2 HIS 837 HB2 HIS 27 5.439 12.371 2.012 192 HB3 HIS 837 HB3 HIS 27 7.083 12.719 2.480 193 HD2 HIS 837 HD2 HIS 27 9.029 11.258 1.470 194 HE1 HIS 837 HE1 HIS 27 6.648 8.574 -0.846 195 HE2 HIS 837 HE2 HIS 27 9.028 9.338 -0.347 196 H CYS 838 H CYS 28 6.547 8.942 4.727 197 HA CYS 838 HA CYS 28 8.940 9.328 6.161 198 HB2 CYS 838 HB2 CYS 28 7.445 7.055 4.934 199 HB3 CYS 838 HB3 CYS 28 9.147 6.796 5.362 200 H GLN 839 H GLN 29 11.008 9.705 5.601 201 HA GLN 839 HA GLN 29 11.628 10.032 2.783 202 HB2 GLN 839 HB2 GLN 29 13.318 10.460 5.266 203 HB3 GLN 839 HB3 GLN 29 13.778 10.910 3.634 204 HG2 GLN 839 HG2 GLN 29 11.410 12.176 3.654 205 HG3 GLN 839 HG3 GLN 29 11.642 12.127 5.391 206 HE21 GLN 839 HE21 GLN 29 11.928 14.427 5.681 207 HE22 GLN 839 HE22 GLN 29 13.187 15.299 4.833 208 H ASP 840 H ASP 30 12.519 7.677 5.268 209 HA ASP 840 HA ASP 30 14.600 6.511 3.457 210 HB2 ASP 840 HB2 ASP 30 15.234 7.290 5.715 211 HB3 ASP 840 HB3 ASP 30 14.093 6.143 6.408 212 H CYS 841 H CYS 31 11.561 5.676 5.115 213 HA CYS 841 HA CYS 31 11.676 2.886 4.593 214 HB2 CYS 841 HB2 CYS 31 9.188 4.602 4.943 215 HB3 CYS 841 HB3 CYS 31 9.315 2.861 5.056 216 HA PRO 842 HA PRO 32 11.544 2.836 0.299 217 HB2 PRO 842 HB2 PRO 32 10.660 0.345 -0.392 218 HB3 PRO 842 HB3 PRO 32 12.179 0.631 0.515 219 HG2 PRO 842 HG2 PRO 32 9.448 -0.083 1.635 220 HG3 PRO 842 HG3 PRO 32 11.024 -0.853 1.994 221 HD2 PRO 842 HD2 PRO 32 9.956 1.082 3.602 222 HD3 PRO 842 HD3 PRO 32 11.707 0.944 3.335 223 HA PRO 843 HA PRO 33 7.708 4.160 -1.588 224 HB2 PRO 843 HB2 PRO 33 8.722 2.608 -3.988 225 HB3 PRO 843 HB3 PRO 33 7.985 4.238 -3.939 226 HG2 PRO 843 HG2 PRO 33 10.661 4.007 -4.107 227 HG3 PRO 843 HG3 PRO 33 9.967 5.162 -2.922 228 HD2 PRO 843 HD2 PRO 33 11.011 2.361 -2.430 229 HD3 PRO 843 HD3 PRO 33 11.302 3.869 -1.506 230 H GLU 844 H GLU 34 8.571 0.726 -1.994 231 HA GLU 844 HA GLU 34 6.045 -0.346 -2.642 232 HB2 GLU 844 HB2 GLU 34 8.168 -1.565 -2.701 233 HB3 GLU 844 HB3 GLU 34 8.271 -1.534 -0.937 234 HG2 GLU 844 HG2 GLU 34 6.242 -2.910 -0.746 235 HG3 GLU 844 HG3 GLU 34 6.013 -2.866 -2.495 236 H MET 845 H MET 35 7.340 0.554 0.529 237 HA MET 845 HA MET 35 4.854 -0.192 1.962 238 HB2 MET 845 HB2 MET 35 7.445 1.101 2.870 239 HB3 MET 845 HB3 MET 35 6.044 0.875 3.919 240 HG2 MET 845 HG2 MET 35 7.433 -1.395 2.461 241 HG3 MET 845 HG3 MET 35 7.802 -0.904 4.112 242 HE1 MET 845 HE1 MET 35 5.013 -0.369 5.569 243 HE2 MET 845 HE2 MET 35 6.358 -1.346 6.216 244 HE3 MET 845 HE3 MET 35 4.707 -1.996 6.189 245 H SER 846 H SER 36 6.610 2.762 1.084 246 HA SER 846 HA SER 36 6.252 4.957 1.492 247 HB2 SER 846 HB2 SER 36 5.477 4.551 -0.782 248 HB3 SER 846 HB3 SER 36 3.814 4.382 -0.190 249 HG SER 846 HG SER 36 4.388 6.551 -0.938 250 H LEU 847 H LEU 37 6.085 4.965 3.650 251 HA LEU 847 HA LEU 37 3.526 4.641 5.019 252 HB2 LEU 847 HB2 LEU 37 6.406 5.007 5.856 253 HB3 LEU 847 HB3 LEU 37 5.142 5.250 6.997 254 HG LEU 847 HG LEU 37 4.762 2.715 5.437 255 HD11 LEU 847 HD11 LEU 37 7.414 3.121 6.756 256 HD12 LEU 847 HD12 LEU 37 7.053 2.755 5.058 257 HD13 LEU 847 HD13 LEU 37 6.738 1.527 6.296 258 HD21 LEU 847 HD21 LEU 37 5.318 1.993 8.074 259 HD22 LEU 847 HD22 LEU 37 3.778 2.101 7.250 260 HD23 LEU 847 HD23 LEU 37 4.339 3.506 8.150 261 H ASP 848 H ASP 38 2.605 6.221 6.511 262 HA ASP 848 HA ASP 38 3.357 9.000 6.010 263 HB2 ASP 848 HB2 ASP 38 0.555 8.077 5.363 264 HB3 ASP 848 HB3 ASP 38 1.170 9.728 5.368 265 H PHE 849 H PHE 39 2.619 10.484 7.460 266 HA PHE 849 HA PHE 39 0.878 9.546 9.689 267 HB2 PHE 849 HB2 PHE 39 3.409 11.189 10.154 268 HB3 PHE 849 HB3 PHE 39 2.256 10.608 11.308 269 HD1 PHE 849 HD1 PHE 39 2.702 8.720 12.500 270 HD2 PHE 849 HD2 PHE 39 4.705 9.227 8.713 271 HE1 PHE 849 HE1 PHE 39 3.842 6.551 12.821 272 HE2 PHE 849 HE2 PHE 39 5.879 7.169 9.069 273 HZ PHE 849 HZ PHE 39 5.426 5.687 11.092 274 H CYS 850 H CYS 40 -0.527 11.047 10.611 275 HA CYS 850 HA CYS 40 -1.120 13.486 9.320 276 HB2 CYS 850 HB2 CYS 40 -1.711 12.631 12.180 277 HB3 CYS 850 HB3 CYS 40 -2.617 13.811 11.242 278 H ASP 851 H ASP 41 -1.290 15.605 10.600 279 HA ASP 851 HA ASP 41 1.203 16.773 11.087 280 HB2 ASP 851 HB2 ASP 41 0.013 18.697 11.695 281 HB3 ASP 851 HB3 ASP 41 -0.991 17.899 10.508 282 H SER 852 H SER 42 -0.935 15.177 13.389 283 HA SER 852 HA SER 42 0.746 15.833 15.702 284 HB2 SER 852 HB2 SER 42 -1.706 15.811 15.913 285 HB3 SER 852 HB3 SER 42 -1.726 14.090 15.470 286 HG SER 852 HG SER 42 -1.769 14.448 17.770 287 H CYS 853 H CYS 43 -0.009 12.995 13.659 288 HA CYS 853 HA CYS 43 1.161 11.026 15.343 289 HB2 CYS 853 HB2 CYS 43 0.354 11.156 12.443 290 HB3 CYS 853 HB3 CYS 43 0.868 9.690 13.249 291 H SER 854 H SER 44 2.410 13.101 12.811 292 HA SER 854 HA SER 44 4.776 11.710 12.043 293 HB2 SER 854 HB2 SER 44 5.456 13.879 11.208 294 HB3 SER 854 HB3 SER 44 3.726 13.668 10.942 295 HG SER 854 HG SER 44 4.226 15.744 11.841 296 H ASP 855 H ASP 45 4.013 13.399 14.981 297 HA ASP 855 HA ASP 45 6.789 13.629 15.878 298 HB2 ASP 855 HB2 ASP 45 4.963 15.327 16.381 299 HB3 ASP 855 HB3 ASP 45 4.236 14.123 17.448 300 H CYS 856 H CYS 46 4.542 11.113 15.695 301 HA CYS 856 HA CYS 46 4.877 10.010 18.338 302 HB2 CYS 856 HB2 CYS 46 2.852 9.863 16.674 303 HB3 CYS 856 HB3 CYS 46 3.752 8.548 15.915 304 HG CYS 856 HG CYS 46 4.064 7.116 18.117 305 H LEU 857 H LEU 47 6.706 9.734 15.483 306 HA LEU 857 HA LEU 47 8.500 8.540 14.851 307 HB2 LEU 857 HB2 LEU 47 9.222 9.988 16.731 308 HB3 LEU 857 HB3 LEU 47 9.086 8.636 17.837 309 HG LEU 857 HG LEU 47 10.905 7.446 16.828 310 HD11 LEU 857 HD11 LEU 47 10.693 9.455 14.546 311 HD12 LEU 857 HD12 LEU 47 10.543 7.671 14.477 312 HD13 LEU 857 HD13 LEU 47 12.114 8.434 14.791 313 HD21 LEU 857 HD21 LEU 47 11.632 10.402 16.836 314 HD22 LEU 857 HD22 LEU 47 12.754 9.031 17.017 315 HD23 LEU 857 HD23 LEU 47 11.542 9.347 18.267 316 H HIS 858 H HIS 48 7.153 6.789 14.177 317 HA HIS 858 HA HIS 48 6.986 4.457 15.959 318 HB2 HIS 858 HB2 HIS 48 4.916 5.498 14.967 319 HB3 HIS 858 HB3 HIS 48 5.526 5.047 13.369 320 HD2 HIS 858 HD2 HIS 48 4.847 2.725 12.488 321 HE1 HIS 858 HE1 HIS 48 3.531 0.924 16.132 322 HE2 HIS 858 HE2 HIS 48 3.691 0.623 13.611 323 H GLU 859 H GLU 49 7.148 2.320 15.166 324 HA GLU 859 HA GLU 49 8.955 1.937 12.884 325 HB2 GLU 859 HB2 GLU 49 9.599 0.545 15.491 326 HB3 GLU 859 HB3 GLU 49 10.563 0.709 14.070 327 HG2 GLU 859 HG2 GLU 49 10.736 3.200 14.529 328 HG3 GLU 859 HG3 GLU 49 9.863 2.937 16.022 329 H THR 860 H THR 50 8.779 -0.016 11.845 330 HA THR 860 HA THR 50 6.842 -2.042 12.938 331 HB THR 860 HB THR 50 5.777 -2.381 10.899 332 HG1 THR 860 HG1 THR 50 6.413 -1.442 8.980 333 HG21 THR 860 HG21 THR 50 4.789 -0.434 11.921 334 HG22 THR 860 HG22 THR 50 4.865 -0.160 10.171 335 HG23 THR 860 HG23 THR 50 6.004 0.658 11.256 336 H ASP 861 H ASP 51 7.401 -3.609 10.391 337 HA ASP 861 HA ASP 51 9.846 -4.980 11.184 338 HB2 ASP 861 HB2 ASP 51 7.990 -5.323 8.870 339 HB3 ASP 861 HB3 ASP 51 9.351 -6.372 9.222 340 H ILE 862 H ILE 52 8.820 -2.583 8.865 341 HA ILE 862 HA ILE 52 11.516 -2.450 7.667 342 HB ILE 862 HB ILE 52 8.844 -1.768 6.471 343 HG12 ILE 862 HG12 ILE 52 11.053 -3.826 5.929 344 HG13 ILE 862 HG13 ILE 52 9.451 -4.181 6.585 345 HG21 ILE 862 HG21 ILE 52 11.686 -1.274 5.498 346 HG22 ILE 862 HG22 ILE 52 10.435 -0.045 5.798 347 HG23 ILE 862 HG23 ILE 52 10.243 -1.165 4.460 348 HD11 ILE 862 HD11 ILE 52 8.451 -3.351 4.461 349 HD12 ILE 862 HD12 ILE 52 9.447 -4.821 4.325 350 HD13 ILE 862 HD13 ILE 52 10.114 -3.268 3.793 351 H HIS 863 H HIS 53 8.820 -0.614 9.069 352 HA HIS 863 HA HIS 53 10.073 1.963 8.711 353 HB2 HIS 863 HB2 HIS 53 7.920 2.070 8.527 354 HB3 HIS 863 HB3 HIS 53 7.412 0.937 9.581 355 HD1 HIS 863 HD1 HIS 53 5.612 2.974 9.945 356 HD2 HIS 863 HD2 HIS 53 9.524 3.871 10.910 357 HE1 HIS 863 HE1 HIS 53 6.232 5.032 8.615 358 H LYS 864 H LYS 54 11.408 3.055 10.046 359 HA LYS 864 HA LYS 54 11.811 2.096 12.830 360 HB2 LYS 864 HB2 LYS 54 14.107 2.482 10.878 361 HB3 LYS 864 HB3 LYS 54 14.203 2.050 12.555 362 HG2 LYS 864 HG2 LYS 54 12.890 0.327 10.379 363 HG3 LYS 864 HG3 LYS 54 14.485 0.082 10.987 364 HD2 LYS 864 HD2 LYS 54 13.799 -0.714 13.076 365 HD3 LYS 864 HD3 LYS 54 12.192 -0.105 12.932 366 HE2 LYS 864 HE2 LYS 54 11.589 -1.671 11.219 367 HE3 LYS 864 HE3 LYS 54 13.261 -2.129 10.940 368 HZ1 LYS 864 HZ1 LYS 54 12.256 -3.830 12.269 369 HZ2 LYS 864 HZ2 LYS 54 11.605 -2.772 13.325 370 HZ3 LYS 864 HZ3 LYS 54 13.238 -3.028 13.300 371 H GLU 865 H GLU 55 12.934 3.572 14.232 372 HA GLU 865 HA GLU 55 12.461 6.353 13.649 373 HB2 GLU 865 HB2 GLU 55 13.137 6.739 15.905 374 HB3 GLU 865 HB3 GLU 55 12.119 5.312 15.872 375 HG2 GLU 865 HG2 GLU 55 14.272 3.935 15.963 376 HG3 GLU 865 HG3 GLU 55 15.172 5.432 16.099 377 H ASP 866 H ASP 56 14.814 4.576 12.395 378 HA ASP 866 HA ASP 56 17.239 5.894 13.065 379 HB2 ASP 866 HB2 ASP 56 16.830 3.562 12.122 380 HB3 ASP 866 HB3 ASP 56 16.652 4.367 10.571 381 H HIS 867 H HIS 57 14.626 6.851 11.128 382 HA HIS 867 HA HIS 57 16.202 8.391 9.157 383 HB2 HIS 867 HB2 HIS 57 14.299 8.114 7.803 384 HB3 HIS 867 HB3 HIS 57 14.809 6.596 8.456 385 HD1 HIS 867 HD1 HIS 57 12.271 8.979 10.333 386 HD2 HIS 867 HD2 HIS 57 12.691 5.406 8.194 387 HE1 HIS 867 HE1 HIS 57 9.903 8.127 9.946 388 H GLN 868 H GLN 58 13.974 9.799 8.277 389 HA GLN 868 HA GLN 58 12.885 11.599 10.271 390 HB2 GLN 868 HB2 GLN 58 13.540 13.648 9.109 391 HB3 GLN 868 HB3 GLN 58 14.951 12.802 9.720 392 HG2 GLN 868 HG2 GLN 58 14.034 12.594 6.813 393 HG3 GLN 868 HG3 GLN 58 15.142 13.832 7.387 394 HE21 GLN 868 HE21 GLN 58 17.209 12.938 8.532 395 HE22 GLN 868 HE22 GLN 58 17.835 11.451 7.829 396 H LEU 869 H LEU 59 11.113 12.916 9.356 397 HA LEU 869 HA LEU 59 9.760 11.621 7.013 398 HB2 LEU 869 HB2 LEU 59 8.621 13.375 9.227 399 HB3 LEU 869 HB3 LEU 59 7.731 12.530 7.959 400 HG LEU 869 HG LEU 59 7.330 11.530 10.029 401 HD11 LEU 869 HD11 LEU 59 9.140 9.696 8.439 402 HD12 LEU 869 HD12 LEU 59 7.438 10.066 8.050 403 HD13 LEU 869 HD13 LEU 59 7.827 9.198 9.527 404 HD21 LEU 869 HD21 LEU 59 8.800 10.462 11.503 405 HD22 LEU 869 HD22 LEU 59 9.416 12.101 11.254 406 HD23 LEU 869 HD23 LEU 59 10.198 10.709 10.455 407 H GLU 870 H GLU 60 8.677 12.981 5.508 408 HA GLU 870 HA GLU 60 9.734 15.788 5.355 409 HB2 GLU 870 HB2 GLU 60 10.322 14.200 3.508 410 HB3 GLU 870 HB3 GLU 60 8.626 14.011 3.197 411 HG2 GLU 870 HG2 GLU 60 9.321 15.441 1.607 412 HG3 GLU 870 HG3 GLU 60 8.531 16.528 2.746 413 HA PRO 871 HA PRO 61 5.348 16.838 6.023 414 HB2 PRO 871 HB2 PRO 61 5.581 19.527 6.345 415 HB3 PRO 871 HB3 PRO 61 6.035 18.371 7.620 416 HG2 PRO 871 HG2 PRO 61 7.847 19.798 5.669 417 HG3 PRO 871 HG3 PRO 61 8.092 19.512 7.418 418 HD2 PRO 871 HD2 PRO 61 9.193 17.964 5.385 419 HD3 PRO 871 HD3 PRO 61 8.879 17.349 7.025 420 H ILE 872 H ILE 62 3.780 17.366 4.482 421 HA ILE 872 HA ILE 62 4.708 18.711 1.979 422 HB ILE 872 HB ILE 62 2.584 16.622 1.994 423 HG12 ILE 872 HG12 ILE 62 4.588 15.443 2.897 424 HG13 ILE 872 HG13 ILE 62 4.088 14.850 1.339 425 HG21 ILE 872 HG21 ILE 62 3.099 16.532 -0.411 426 HG22 ILE 872 HG22 ILE 62 4.428 17.689 -0.194 427 HG23 ILE 872 HG23 ILE 62 2.770 18.196 0.092 428 HD11 ILE 872 HD11 ILE 62 5.881 15.944 0.196 429 HD12 ILE 872 HD12 ILE 62 6.567 15.112 1.604 430 HD13 ILE 872 HD13 ILE 62 6.316 16.870 1.646 431 H TYR 873 H TYR 63 3.783 20.528 1.786 432 HA TYR 873 HA TYR 63 1.452 21.297 3.380 433 HB2 TYR 873 HB2 TYR 63 3.634 22.851 1.954 434 HB3 TYR 873 HB3 TYR 63 2.309 23.600 2.811 435 HD1 TYR 873 HD1 TYR 63 5.611 22.240 3.166 436 HD2 TYR 873 HD2 TYR 63 1.928 22.941 5.310 437 HE1 TYR 873 HE1 TYR 63 6.828 22.061 5.336 438 HE2 TYR 873 HE2 TYR 63 3.139 22.758 7.462 439 HH TYR 873 HH TYR 63 5.193 22.500 8.496 440 H ARG 874 H ARG 64 1.464 19.850 0.683 441 HA ARG 874 HA ARG 64 -0.720 21.254 -0.651 442 HB2 ARG 874 HB2 ARG 64 0.527 21.494 -2.781 443 HB3 ARG 874 HB3 ARG 64 1.178 22.501 -1.485 444 HG2 ARG 874 HG2 ARG 64 2.950 20.677 -1.118 445 HG3 ARG 874 HG3 ARG 64 2.362 19.920 -2.605 446 HD2 ARG 874 HD2 ARG 64 3.319 22.775 -2.324 447 HD3 ARG 874 HD3 ARG 64 4.347 21.422 -2.852 448 HE ARG 874 HE ARG 64 2.156 21.383 -4.577 449 HH11 ARG 874 HH11 ARG 64 4.694 23.710 -3.912 450 HH12 ARG 874 HH12 ARG 64 4.607 24.393 -5.510 451 HH21 ARG 874 HH21 ARG 64 2.084 22.322 -6.583 452 HH22 ARG 874 HH22 ARG 64 3.167 23.628 -6.979 453 H1 ALA 1 H1 ALA 65 1.072 6.104 3.950 454 H2 ALA 1 H2 ALA 65 0.980 5.030 5.198 455 H3 ALA 1 H3 ALA 65 -0.379 5.776 4.649 456 HA ALA 1 HA ALA 65 1.266 3.875 3.158 457 HB1 ALA 1 HB1 ALA 65 -0.699 2.376 3.259 458 HB2 ALA 1 HB2 ALA 65 -1.491 3.517 4.381 459 HB3 ALA 1 HB3 ALA 65 0.025 2.689 4.834 460 H ARG 2 H ARG 66 1.316 4.319 1.137 461 HA ARG 2 HA ARG 66 -0.481 5.879 -0.391 462 HB2 ARG 2 HB2 ARG 66 0.765 5.258 -2.272 463 HB3 ARG 2 HB3 ARG 66 1.874 5.394 -0.932 464 HG2 ARG 2 HG2 ARG 66 1.047 2.955 -2.495 465 HG3 ARG 2 HG3 ARG 66 2.652 3.556 -2.162 466 HD2 ARG 2 HD2 ARG 66 2.532 2.779 0.162 467 HD3 ARG 2 HD3 ARG 66 0.865 2.279 -0.030 468 HE ARG 2 HE ARG 66 3.207 0.787 -0.780 469 HH11 ARG 2 HH11 ARG 66 -0.197 1.191 -1.687 470 HH12 ARG 2 HH12 ARG 66 -0.284 -0.451 -2.275 471 HH21 ARG 2 HH21 ARG 66 2.993 -1.214 -1.474 472 HH22 ARG 2 HH22 ARG 66 1.495 -1.799 -2.174 473 H THR 3 H THR 67 -2.610 5.304 0.018 474 HA THR 3 HA THR 67 -3.702 2.776 -1.117 475 HB THR 3 HB THR 67 -5.898 3.843 -0.544 476 HG1 THR 3 HG1 THR 67 -5.877 5.742 0.614 477 HG21 THR 3 HG21 THR 67 -5.678 3.670 1.883 478 HG22 THR 3 HG22 THR 67 -3.907 3.832 1.771 479 HG23 THR 3 HG23 THR 67 -4.716 2.391 1.107 480 HH31 ALY 4 H26 ALY 68 -1.264 8.739 -10.502 481 HH32 ALY 4 H27 ALY 68 -2.690 9.801 -10.416 482 HH33 ALY 4 H28 ALY 68 -2.805 8.113 -9.872 483 HZ ALY 4 HZ1 ALY 68 -3.707 9.646 -8.089 484 HE3 ALY 4 HE3 ALY 68 -1.610 10.577 -6.171 485 HE2 ALY 4 HE2 ALY 68 -3.320 11.016 -6.177 486 HD3 ALY 4 HD3 ALY 68 -2.874 9.532 -4.334 487 HD2 ALY 4 HD2 ALY 68 -3.932 8.710 -5.496 488 HG3 ALY 4 HG3 ALY 68 -2.038 7.382 -6.331 489 HG2 ALY 4 HG2 ALY 68 -0.904 8.341 -5.374 490 HB3 ALY 4 HB3 ALY 68 -1.180 6.290 -4.220 491 HB2 ALY 4 HB2 ALY 68 -1.960 7.548 -3.284 492 HCA ALY 4 HA ALY 68 -4.190 6.786 -4.231 493 H ALY 4 H ALY 68 -2.768 5.860 -2.160 494 H GLN 5 H GLN 69 -5.334 5.674 -5.714 495 HA GLN 5 HA GLN 69 -4.340 3.281 -7.071 496 HB2 GLN 5 HB2 GLN 69 -6.811 4.992 -7.569 497 HB3 GLN 5 HB3 GLN 69 -6.478 3.437 -8.321 498 HG2 GLN 5 HG2 GLN 69 -6.930 3.909 -5.335 499 HG3 GLN 5 HG3 GLN 69 -8.075 3.213 -6.466 500 HE21 GLN 5 HE21 GLN 69 -5.536 2.463 -4.267 501 HE22 GLN 5 HE22 GLN 69 -5.372 0.770 -4.747 502 H THR 6 H THR 70 -4.079 3.059 -9.365 503 HA THR 6 HA THR 70 -3.785 5.385 -11.081 504 HB THR 6 HB THR 70 -1.618 5.383 -9.837 505 HG1 THR 6 HG1 THR 70 -1.528 6.257 -11.841 506 HG21 THR 6 HG21 THR 70 -1.319 2.930 -9.538 507 HG22 THR 6 HG22 THR 70 0.074 3.708 -10.299 508 HG23 THR 6 HG23 THR 70 -1.056 2.761 -11.288 509 H ALA 7 H ALA 71 -3.195 4.732 -13.349 510 HA ALA 7 HA ALA 71 -4.840 2.515 -14.171 511 HB1 ALA 7 HB1 ALA 71 -2.929 4.284 -15.748 512 HB2 ALA 7 HB2 ALA 71 -4.654 4.603 -15.452 513 HB3 ALA 7 HB3 ALA 71 -4.161 3.212 -16.438 514 H ARG 8 H ARG 72 -4.280 0.677 -15.365 515 HA ARG 8 HA ARG 72 -1.949 -0.813 -14.515 516 HB2 ARG 8 HB2 ARG 72 -4.187 -1.813 -14.950 517 HB3 ARG 8 HB3 ARG 72 -4.005 -1.458 -16.673 518 HG2 ARG 8 HG2 ARG 72 -2.034 -2.950 -16.785 519 HG3 ARG 8 HG3 ARG 72 -2.154 -3.248 -15.036 520 HD2 ARG 8 HD2 ARG 72 -4.398 -4.237 -15.365 521 HD3 ARG 8 HD3 ARG 72 -4.277 -3.941 -17.113 522 HE ARG 8 HE ARG 72 -2.006 -5.439 -16.347 523 HH11 ARG 8 HH11 ARG 72 -5.462 -5.972 -16.564 524 HH12 ARG 8 HH12 ARG 72 -5.278 -7.688 -16.825 525 HH21 ARG 8 HH21 ARG 72 -1.841 -7.633 -16.649 526 HH22 ARG 8 HH22 ARG 72 -3.270 -8.598 -16.866 Start of MODEL 2 1 H1 GLY 811 H1 GLY 1 -3.781 24.474 -4.725 2 H2 GLY 811 H2 GLY 1 -5.008 25.470 -4.284 3 H3 GLY 811 H3 GLY 1 -5.326 24.064 -5.060 4 HA2 GLY 811 HA2 GLY 1 -5.859 23.818 -2.709 5 HA3 GLY 811 HA3 GLY 1 -4.552 22.747 -3.211 6 HA PRO 812 HA PRO 2 -3.022 26.453 -0.385 7 HB2 PRO 812 HB2 PRO 2 -4.838 25.622 1.880 8 HB3 PRO 812 HB3 PRO 2 -4.206 27.246 1.472 9 HG2 PRO 812 HG2 PRO 2 -6.739 26.586 0.815 10 HG3 PRO 812 HG3 PRO 2 -5.709 27.449 -0.374 11 HD2 PRO 812 HD2 PRO 2 -6.322 24.484 -0.226 12 HD3 PRO 812 HD3 PRO 2 -6.349 25.582 -1.640 13 H LEU 813 H LEU 3 -1.343 26.237 1.072 14 HA LEU 813 HA LEU 3 -0.069 23.735 1.330 15 HB2 LEU 813 HB2 LEU 3 0.381 26.457 2.614 16 HB3 LEU 813 HB3 LEU 3 1.395 25.081 2.998 17 HG LEU 813 HG LEU 3 2.095 24.849 0.651 18 HD11 LEU 813 HD11 LEU 3 0.261 25.848 -0.610 19 HD12 LEU 813 HD12 LEU 3 1.740 26.744 -0.925 20 HD13 LEU 813 HD13 LEU 3 0.530 27.426 0.184 21 HD21 LEU 813 HD21 LEU 3 3.534 26.835 0.636 22 HD22 LEU 813 HD22 LEU 3 3.393 26.175 2.272 23 HD23 LEU 813 HD23 LEU 3 2.478 27.629 1.825 24 H GLY 814 H GLY 4 -2.348 25.200 3.545 25 HA2 GLY 814 HA2 GLY 4 -1.805 23.194 5.678 26 HA3 GLY 814 HA3 GLY 4 -2.856 24.600 5.792 27 H SER 815 H SER 5 -3.408 22.892 2.891 28 HA SER 815 HA SER 5 -5.713 21.375 3.932 29 HB2 SER 815 HB2 SER 5 -5.884 23.452 1.728 30 HB3 SER 815 HB3 SER 5 -7.222 22.476 2.349 31 HG SER 815 HG SER 5 -7.073 23.576 4.330 32 H VAL 816 H VAL 6 -3.058 20.742 2.591 33 HA VAL 816 HA VAL 6 -3.330 20.063 -0.126 34 HB VAL 816 HB VAL 6 -1.537 19.006 2.108 35 HG11 VAL 816 HG11 VAL 6 0.121 18.556 0.450 36 HG12 VAL 816 HG12 VAL 6 -1.000 19.048 -0.849 37 HG13 VAL 816 HG13 VAL 6 -1.350 17.613 0.168 38 HG21 VAL 816 HG21 VAL 6 -0.931 21.263 0.150 39 HG22 VAL 816 HG22 VAL 6 0.032 20.707 1.554 40 HG23 VAL 816 HG23 VAL 6 -1.476 21.529 1.816 41 H GLN 817 H GLN 7 -4.140 18.384 -1.183 42 HA GLN 817 HA GLN 7 -5.200 16.077 0.388 43 HB2 GLN 817 HB2 GLN 7 -6.524 15.660 -1.631 44 HB3 GLN 817 HB3 GLN 7 -6.879 17.185 -0.824 45 HG2 GLN 817 HG2 GLN 7 -6.580 18.372 -2.659 46 HG3 GLN 817 HG3 GLN 7 -4.951 17.765 -2.865 47 HE21 GLN 817 HE21 GLN 7 -4.728 15.594 -3.898 48 HE22 GLN 817 HE22 GLN 7 -5.836 15.224 -5.233 49 H HIS 818 H HIS 8 -3.944 14.320 0.492 50 HA HIS 818 HA HIS 8 -2.166 13.671 -1.832 51 HB2 HIS 818 HB2 HIS 8 -1.798 13.554 1.091 52 HB3 HIS 818 HB3 HIS 8 -1.311 12.108 0.238 53 HD2 HIS 818 HD2 HIS 8 -0.267 15.696 0.710 54 HE1 HIS 818 HE1 HIS 8 2.186 14.258 -2.455 55 HE2 HIS 818 HE2 HIS 8 1.713 16.238 -0.963 56 H VAL 819 H VAL 9 -4.205 13.058 -2.861 57 HA VAL 819 HA VAL 9 -5.518 10.583 -2.295 58 HB VAL 819 HB VAL 9 -5.170 12.080 -4.876 59 HG11 VAL 819 HG11 VAL 9 -7.068 10.720 -5.711 60 HG12 VAL 819 HG12 VAL 9 -6.975 9.697 -4.261 61 HG13 VAL 819 HG13 VAL 9 -5.634 9.731 -5.436 62 HG21 VAL 819 HG21 VAL 9 -7.484 11.766 -2.895 63 HG22 VAL 819 HG22 VAL 9 -7.552 12.672 -4.424 64 HG23 VAL 819 HG23 VAL 9 -6.510 13.235 -3.116 65 H GLY 820 H GLY 10 -4.891 8.563 -2.425 66 HA2 GLY 820 HA2 GLY 10 -3.622 6.726 -3.230 67 HA3 GLY 820 HA3 GLY 10 -2.376 7.818 -3.821 68 H PHE 821 H PHE 11 -2.908 9.040 -0.773 69 HA PHE 821 HA PHE 11 -1.002 7.113 0.535 70 HB2 PHE 821 HB2 PHE 11 -1.004 10.107 0.862 71 HB3 PHE 821 HB3 PHE 11 0.155 8.953 1.482 72 HD1 PHE 821 HD1 PHE 11 2.200 8.795 0.385 73 HD2 PHE 821 HD2 PHE 11 -1.196 10.361 -1.734 74 HE1 PHE 821 HE1 PHE 11 3.663 9.430 -1.549 75 HE2 PHE 821 HE2 PHE 11 0.249 11.078 -3.581 76 HZ PHE 821 HZ PHE 11 2.683 10.682 -3.469 77 H LYS 822 H LYS 12 -2.509 6.067 1.682 78 HA LYS 822 HA LYS 12 -4.347 7.419 3.626 79 HB2 LYS 822 HB2 LYS 12 -5.454 5.766 2.647 80 HB3 LYS 822 HB3 LYS 12 -4.113 4.826 2.248 81 HG2 LYS 822 HG2 LYS 12 -4.940 4.927 5.205 82 HG3 LYS 822 HG3 LYS 12 -5.952 4.122 4.049 83 HD2 LYS 822 HD2 LYS 12 -4.042 2.728 3.263 84 HD3 LYS 822 HD3 LYS 12 -2.967 3.654 4.320 85 HE2 LYS 822 HE2 LYS 12 -3.320 1.546 5.272 86 HE3 LYS 822 HE3 LYS 12 -4.040 2.794 6.296 87 HZ1 LYS 822 HZ1 LYS 12 -5.581 1.042 4.411 88 HZ2 LYS 822 HZ2 LYS 12 -6.253 2.141 5.432 89 HZ3 LYS 822 HZ3 LYS 12 -5.509 0.816 6.023 90 H CYS 823 H CYS 13 -3.925 7.345 5.839 91 HA CYS 823 HA CYS 13 -1.167 7.269 6.679 92 HB2 CYS 823 HB2 CYS 13 -2.635 8.938 7.538 93 HB3 CYS 823 HB3 CYS 13 -3.837 7.739 7.973 94 H ASP 824 H ASP 14 -0.332 6.120 8.408 95 HA ASP 824 HA ASP 14 -1.147 3.255 8.674 96 HB2 ASP 824 HB2 ASP 14 1.507 4.678 9.060 97 HB3 ASP 824 HB3 ASP 14 1.215 2.990 9.441 98 H ASN 825 H ASN 15 -0.583 6.200 10.594 99 HA ASN 825 HA ASN 15 -0.637 4.868 13.193 100 HB2 ASN 825 HB2 ASN 15 0.245 7.149 12.872 101 HB3 ASN 825 HB3 ASN 15 -1.367 7.714 12.402 102 HD21 ASN 825 HD21 ASN 15 -2.895 8.087 14.007 103 HD22 ASN 825 HD22 ASN 15 -2.464 8.033 15.722 104 H CYS 826 H CYS 16 -3.104 6.672 11.306 105 HA CYS 826 HA CYS 16 -5.233 5.806 13.088 106 HB2 CYS 826 HB2 CYS 16 -5.313 7.634 10.675 107 HB3 CYS 826 HB3 CYS 16 -6.461 7.595 12.007 108 H GLY 827 H GLY 17 -4.227 5.288 9.754 109 HA2 GLY 827 HA2 GLY 17 -4.889 3.727 8.286 110 HA3 GLY 827 HA3 GLY 17 -6.204 3.196 9.303 111 H ILE 828 H ILE 18 -6.111 6.639 9.046 112 HA ILE 828 HA ILE 18 -8.535 6.811 7.604 113 HB ILE 828 HB ILE 18 -7.884 8.528 9.152 114 HG12 ILE 828 HG12 ILE 18 -7.842 9.768 6.354 115 HG13 ILE 828 HG13 ILE 18 -9.284 9.104 7.054 116 HG21 ILE 828 HG21 ILE 18 -6.112 10.131 8.706 117 HG22 ILE 828 HG22 ILE 18 -5.599 9.247 7.262 118 HG23 ILE 828 HG23 ILE 18 -5.438 8.534 8.873 119 HD11 ILE 828 HD11 ILE 18 -7.761 11.501 8.109 120 HD12 ILE 828 HD12 ILE 18 -9.113 10.708 8.968 121 HD13 ILE 828 HD13 ILE 18 -9.368 11.452 7.374 122 H GLU 829 H GLU 19 -8.928 7.250 5.562 123 HA GLU 829 HA GLU 19 -7.269 6.334 3.457 124 HB2 GLU 829 HB2 GLU 19 -9.446 8.209 2.856 125 HB3 GLU 829 HB3 GLU 19 -9.049 6.664 2.122 126 HG2 GLU 829 HG2 GLU 19 -11.081 6.175 3.001 127 HG3 GLU 829 HG3 GLU 19 -9.985 5.522 4.207 128 HA PRO 830 HA PRO 20 -4.900 9.390 1.499 129 HB2 PRO 830 HB2 PRO 20 -7.317 10.818 0.375 130 HB3 PRO 830 HB3 PRO 20 -5.654 10.766 -0.276 131 HG2 PRO 830 HG2 PRO 20 -7.450 9.011 -1.157 132 HG3 PRO 830 HG3 PRO 20 -5.813 8.421 -0.709 133 HD2 PRO 830 HD2 PRO 20 -8.389 8.253 0.816 134 HD3 PRO 830 HD3 PRO 20 -7.021 7.097 0.786 135 H ILE 831 H ILE 21 -3.799 10.588 2.813 136 HA ILE 831 HA ILE 21 -4.818 12.092 4.929 137 HB ILE 831 HB ILE 21 -2.094 12.068 3.593 138 HG12 ILE 831 HG12 ILE 21 -2.903 10.878 6.286 139 HG13 ILE 831 HG13 ILE 21 -3.099 9.974 4.811 140 HG21 ILE 831 HG21 ILE 21 -2.184 14.212 4.747 141 HG22 ILE 831 HG22 ILE 21 -1.212 13.121 5.719 142 HG23 ILE 831 HG23 ILE 21 -2.878 13.453 6.193 143 HD11 ILE 831 HD11 ILE 21 -0.735 10.128 4.273 144 HD12 ILE 831 HD12 ILE 21 -0.994 9.389 5.870 145 HD13 ILE 831 HD13 ILE 21 -0.434 11.056 5.758 146 H GLN 832 H GLN 22 -5.221 14.127 5.418 147 HA GLN 832 HA GLN 22 -5.207 16.103 3.184 148 HB2 GLN 832 HB2 GLN 22 -7.082 15.987 5.568 149 HB3 GLN 832 HB3 GLN 22 -7.139 17.111 4.211 150 HG2 GLN 832 HG2 GLN 22 -7.576 14.100 4.009 151 HG3 GLN 832 HG3 GLN 22 -8.833 15.312 4.052 152 HE21 GLN 832 HE21 GLN 22 -7.443 13.324 1.903 153 HE22 GLN 832 HE22 GLN 22 -7.651 14.327 0.463 154 H GLY 833 H GLY 23 -4.427 18.092 3.484 155 HA2 GLY 833 HA2 GLY 23 -4.083 20.061 4.900 156 HA3 GLY 833 HA3 GLY 23 -3.550 19.022 6.178 157 H VAL 834 H VAL 24 -1.747 17.548 5.591 158 HA VAL 834 HA VAL 24 0.385 18.420 3.839 159 HB VAL 834 HB VAL 24 0.466 19.857 5.891 160 HG11 VAL 834 HG11 VAL 24 1.162 17.347 7.404 161 HG12 VAL 834 HG12 VAL 24 -0.391 18.231 7.489 162 HG13 VAL 834 HG13 VAL 24 1.108 19.016 8.026 163 HG21 VAL 834 HG21 VAL 24 2.814 17.936 5.589 164 HG22 VAL 834 HG22 VAL 24 2.867 19.476 6.462 165 HG23 VAL 834 HG23 VAL 24 2.573 19.480 4.722 166 H ARG 835 H ARG 25 1.612 16.512 3.343 167 HA ARG 835 HA ARG 25 0.748 14.024 4.801 168 HB2 ARG 835 HB2 ARG 25 0.675 13.945 2.352 169 HB3 ARG 835 HB3 ARG 25 2.418 14.258 2.271 170 HG2 ARG 835 HG2 ARG 25 2.889 12.119 3.373 171 HG3 ARG 835 HG3 ARG 25 1.162 11.878 3.711 172 HD2 ARG 835 HD2 ARG 25 1.775 10.513 1.858 173 HD3 ARG 835 HD3 ARG 25 0.735 11.790 1.266 174 HE ARG 835 HE ARG 25 2.454 12.637 -0.012 175 HH11 ARG 835 HH11 ARG 25 3.773 10.022 1.957 176 HH12 ARG 835 HH12 ARG 25 5.336 10.133 1.170 177 HH21 ARG 835 HH21 ARG 25 4.496 12.717 -0.930 178 HH22 ARG 835 HH22 ARG 25 5.713 11.587 -0.440 179 H TRP 836 H TRP 26 2.423 12.549 5.520 180 HA TRP 836 HA TRP 26 4.995 13.889 6.220 181 HB2 TRP 836 HB2 TRP 26 3.237 12.366 8.158 182 HB3 TRP 836 HB3 TRP 26 4.921 12.615 8.381 183 HD1 TRP 836 HD1 TRP 26 1.736 14.714 8.367 184 HE1 TRP 836 HE1 TRP 26 2.280 16.964 9.549 185 HE3 TRP 836 HE3 TRP 26 6.798 14.378 8.473 186 HZ2 TRP 836 HZ2 TRP 26 4.584 18.232 10.688 187 HZ3 TRP 836 HZ3 TRP 26 8.166 16.001 9.737 188 HH2 TRP 836 HH2 TRP 26 7.075 17.904 10.903 189 H HIS 837 H HIS 27 6.273 12.908 4.906 190 HA HIS 837 HA HIS 27 5.903 10.043 4.129 191 HB2 HIS 837 HB2 HIS 27 6.286 11.828 2.405 192 HB3 HIS 837 HB3 HIS 27 7.769 12.271 3.188 193 HD2 HIS 837 HD2 HIS 27 9.940 11.005 2.584 194 HE1 HIS 837 HE1 HIS 27 8.296 7.973 0.101 195 HE2 HIS 837 HE2 HIS 27 10.439 9.027 0.924 196 H CYS 838 H CYS 28 6.813 8.583 5.447 197 HA CYS 838 HA CYS 28 8.955 9.023 7.241 198 HB2 CYS 838 HB2 CYS 28 7.601 6.708 5.933 199 HB3 CYS 838 HB3 CYS 28 9.207 6.448 6.659 200 H GLN 839 H GLN 29 11.080 9.360 6.981 201 HA GLN 839 HA GLN 29 12.145 9.509 4.288 202 HB2 GLN 839 HB2 GLN 29 13.369 10.008 7.010 203 HB3 GLN 839 HB3 GLN 29 14.231 10.297 5.513 204 HG2 GLN 839 HG2 GLN 29 11.532 11.634 5.916 205 HG3 GLN 839 HG3 GLN 29 12.964 12.289 6.686 206 HE21 GLN 839 HE21 GLN 29 13.773 14.006 5.466 207 HE22 GLN 839 HE22 GLN 29 13.816 14.010 3.713 208 H ASP 840 H ASP 30 12.558 7.262 6.980 209 HA ASP 840 HA ASP 30 14.840 5.935 5.567 210 HB2 ASP 840 HB2 ASP 30 15.152 6.985 7.805 211 HB3 ASP 840 HB3 ASP 30 13.996 5.834 8.458 212 H CYS 841 H CYS 31 11.595 5.269 6.841 213 HA CYS 841 HA CYS 31 11.789 2.442 6.772 214 HB2 CYS 841 HB2 CYS 31 9.277 4.123 6.397 215 HB3 CYS 841 HB3 CYS 31 9.381 2.412 6.725 216 HA PRO 842 HA PRO 32 12.472 1.706 2.600 217 HB2 PRO 842 HB2 PRO 32 11.836 -0.903 2.199 218 HB3 PRO 842 HB3 PRO 32 13.090 -0.389 3.370 219 HG2 PRO 842 HG2 PRO 32 10.183 -1.057 3.928 220 HG3 PRO 842 HG3 PRO 32 11.634 -1.672 4.777 221 HD2 PRO 842 HD2 PRO 32 10.147 0.478 5.671 222 HD3 PRO 842 HD3 PRO 32 11.899 0.332 5.962 223 HA PRO 843 HA PRO 33 9.162 2.485 -0.235 224 HB2 PRO 843 HB2 PRO 33 10.500 0.418 -2.000 225 HB3 PRO 843 HB3 PRO 33 9.852 2.029 -2.442 226 HG2 PRO 843 HG2 PRO 33 12.500 1.733 -2.050 227 HG3 PRO 843 HG3 PRO 33 11.661 3.138 -1.309 228 HD2 PRO 843 HD2 PRO 33 12.445 0.512 -0.012 229 HD3 PRO 843 HD3 PRO 33 12.650 2.184 0.588 230 H GLU 844 H GLU 34 9.906 -0.962 0.264 231 HA GLU 844 HA GLU 34 7.496 -2.111 -0.647 232 HB2 GLU 844 HB2 GLU 34 9.554 -3.325 -0.090 233 HB3 GLU 844 HB3 GLU 34 9.329 -2.966 1.627 234 HG2 GLU 844 HG2 GLU 34 7.357 -4.369 1.735 235 HG3 GLU 844 HG3 GLU 34 7.289 -4.497 -0.026 236 H MET 845 H MET 35 8.163 -0.507 2.417 237 HA MET 845 HA MET 35 5.474 -1.148 3.499 238 HB2 MET 845 HB2 MET 35 8.020 -0.769 4.676 239 HB3 MET 845 HB3 MET 35 7.099 0.656 5.127 240 HG2 MET 845 HG2 MET 35 6.197 -2.231 5.462 241 HG3 MET 845 HG3 MET 35 6.938 -1.248 6.719 242 HE1 MET 845 HE1 MET 35 4.917 -2.019 8.281 243 HE2 MET 845 HE2 MET 35 4.125 -2.881 6.944 244 HE3 MET 845 HE3 MET 35 3.208 -1.707 7.909 245 H SER 846 H SER 36 7.429 1.697 2.628 246 HA SER 846 HA SER 36 6.994 3.916 2.429 247 HB2 SER 846 HB2 SER 36 4.863 2.613 0.706 248 HB3 SER 846 HB3 SER 36 5.166 4.359 0.715 249 HG SER 846 HG SER 36 6.824 2.290 -0.187 250 H LEU 847 H LEU 37 6.540 4.510 4.553 251 HA LEU 847 HA LEU 37 3.770 4.327 5.492 252 HB2 LEU 847 HB2 LEU 37 6.419 4.775 6.857 253 HB3 LEU 847 HB3 LEU 37 4.949 5.126 7.680 254 HG LEU 847 HG LEU 37 4.841 2.448 6.335 255 HD11 LEU 847 HD11 LEU 37 7.174 3.025 8.112 256 HD12 LEU 847 HD12 LEU 37 7.158 2.531 6.410 257 HD13 LEU 847 HD13 LEU 37 6.611 1.384 7.650 258 HD21 LEU 847 HD21 LEU 37 4.812 1.911 9.026 259 HD22 LEU 847 HD22 LEU 37 3.443 2.137 7.962 260 HD23 LEU 847 HD23 LEU 37 3.998 3.515 8.897 261 H ASP 848 H ASP 38 2.643 5.970 6.601 262 HA ASP 848 HA ASP 38 3.432 8.731 6.040 263 HB2 ASP 848 HB2 ASP 38 0.746 7.714 5.113 264 HB3 ASP 848 HB3 ASP 38 1.416 9.328 4.929 265 H PHE 849 H PHE 39 2.408 10.311 7.241 266 HA PHE 849 HA PHE 39 0.369 9.524 9.246 267 HB2 PHE 849 HB2 PHE 39 2.792 11.232 10.024 268 HB3 PHE 849 HB3 PHE 39 1.453 10.788 10.986 269 HD1 PHE 849 HD1 PHE 39 1.494 8.893 12.316 270 HD2 PHE 849 HD2 PHE 39 4.349 9.206 9.079 271 HE1 PHE 849 HE1 PHE 39 2.610 6.815 13.086 272 HE2 PHE 849 HE2 PHE 39 5.461 7.236 9.882 273 HZ PHE 849 HZ PHE 39 4.582 5.917 11.861 274 H CYS 850 H CYS 40 -1.200 11.032 9.705 275 HA CYS 850 HA CYS 40 -1.651 13.229 8.002 276 HB2 CYS 850 HB2 CYS 40 -2.808 12.730 10.766 277 HB3 CYS 850 HB3 CYS 40 -3.585 13.592 9.441 278 H ASP 851 H ASP 41 -2.293 15.420 8.901 279 HA ASP 851 HA ASP 41 -0.159 16.941 9.932 280 HB2 ASP 851 HB2 ASP 41 -1.675 18.725 10.006 281 HB3 ASP 851 HB3 ASP 41 -2.167 17.748 8.630 282 H SER 852 H SER 42 -2.737 15.236 11.662 283 HA SER 852 HA SER 42 -2.079 16.420 14.244 284 HB2 SER 852 HB2 SER 42 -4.412 16.022 13.574 285 HB3 SER 852 HB3 SER 42 -4.084 14.283 13.463 286 HG SER 852 HG SER 42 -4.111 15.936 15.787 287 H CYS 853 H CYS 43 -1.851 13.140 12.748 288 HA CYS 853 HA CYS 43 -0.946 11.997 15.223 289 HB2 CYS 853 HB2 CYS 43 -1.352 9.962 14.213 290 HB3 CYS 853 HB3 CYS 43 -2.616 11.054 13.625 291 H SER 854 H SER 44 0.619 13.188 12.397 292 HA SER 854 HA SER 44 3.179 11.935 12.534 293 HB2 SER 854 HB2 SER 44 4.002 14.022 11.506 294 HB3 SER 854 HB3 SER 44 2.514 13.470 10.729 295 HG SER 854 HG SER 44 1.457 15.127 11.522 296 H ASP 855 H ASP 45 1.623 13.750 14.946 297 HA ASP 855 HA ASP 45 3.948 14.911 16.240 298 HB2 ASP 855 HB2 ASP 45 1.559 15.676 16.563 299 HB3 ASP 855 HB3 ASP 45 1.233 14.154 17.396 300 H CYS 856 H CYS 46 2.901 11.711 15.735 301 HA CYS 856 HA CYS 46 3.862 10.672 18.307 302 HB2 CYS 856 HB2 CYS 46 1.705 9.865 17.459 303 HB3 CYS 856 HB3 CYS 46 2.514 9.231 16.008 304 HG CYS 856 HG CYS 46 1.933 7.258 17.661 305 H LEU 857 H LEU 47 5.648 9.567 18.528 306 HA LEU 857 HA LEU 47 7.482 9.133 16.219 307 HB2 LEU 857 HB2 LEU 47 8.357 10.432 18.060 308 HB3 LEU 857 HB3 LEU 47 8.001 9.148 19.217 309 HG LEU 857 HG LEU 47 9.659 7.687 18.245 310 HD11 LEU 857 HD11 LEU 47 11.127 8.564 16.329 311 HD12 LEU 857 HD12 LEU 47 9.887 9.794 16.055 312 HD13 LEU 857 HD13 LEU 47 9.486 8.062 15.877 313 HD21 LEU 857 HD21 LEU 47 10.456 9.429 19.803 314 HD22 LEU 857 HD22 LEU 47 10.763 10.529 18.440 315 HD23 LEU 857 HD23 LEU 47 11.698 9.029 18.611 316 H HIS 858 H HIS 48 6.405 7.448 15.308 317 HA HIS 858 HA HIS 48 5.588 5.159 16.962 318 HB2 HIS 858 HB2 HIS 48 3.935 6.413 15.555 319 HB3 HIS 858 HB3 HIS 48 4.828 5.893 14.129 320 HD2 HIS 858 HD2 HIS 48 3.643 3.912 12.989 321 HE1 HIS 858 HE1 HIS 48 1.955 1.967 16.388 322 HE2 HIS 858 HE2 HIS 48 2.160 1.905 13.849 323 H GLU 859 H GLU 49 5.730 3.039 16.370 324 HA GLU 859 HA GLU 49 7.783 2.268 14.425 325 HB2 GLU 859 HB2 GLU 49 7.921 1.036 17.184 326 HB3 GLU 859 HB3 GLU 49 9.082 1.016 15.909 327 HG2 GLU 859 HG2 GLU 49 9.423 3.507 16.253 328 HG3 GLU 859 HG3 GLU 49 8.348 3.407 17.634 329 H THR 860 H THR 50 7.559 0.238 13.573 330 HA THR 860 HA THR 50 5.405 -1.558 14.637 331 HB THR 860 HB THR 50 4.568 -2.098 12.536 332 HG1 THR 860 HG1 THR 50 5.460 -1.362 10.618 333 HG21 THR 860 HG21 THR 50 3.786 0.031 11.519 334 HG22 THR 860 HG22 THR 50 4.900 0.945 12.556 335 HG23 THR 860 HG23 THR 50 3.602 -0.001 13.283 336 H ASP 861 H ASP 51 6.185 -3.435 12.354 337 HA ASP 861 HA ASP 51 8.447 -4.778 13.618 338 HB2 ASP 861 HB2 ASP 51 6.509 -5.977 12.535 339 HB3 ASP 861 HB3 ASP 51 7.027 -5.325 10.985 340 H ILE 862 H ILE 52 7.817 -2.689 10.894 341 HA ILE 862 HA ILE 52 10.632 -2.753 10.019 342 HB ILE 862 HB ILE 52 8.133 -2.020 8.504 343 HG12 ILE 862 HG12 ILE 52 10.190 -4.297 8.418 344 HG13 ILE 862 HG13 ILE 52 8.488 -4.438 8.863 345 HG21 ILE 862 HG21 ILE 52 11.070 -1.843 7.755 346 HG22 ILE 862 HG22 ILE 52 9.921 -0.492 7.861 347 HG23 ILE 862 HG23 ILE 52 9.713 -1.699 6.599 348 HD11 ILE 862 HD11 ILE 52 9.614 -3.884 6.131 349 HD12 ILE 862 HD12 ILE 52 7.876 -3.749 6.543 350 HD13 ILE 862 HD13 ILE 52 8.722 -5.308 6.697 351 H HIS 863 H HIS 53 7.893 -0.640 10.884 352 HA HIS 863 HA HIS 53 9.354 1.814 10.448 353 HB2 HIS 863 HB2 HIS 53 7.255 1.998 9.971 354 HB3 HIS 863 HB3 HIS 53 6.547 1.004 11.053 355 HD1 HIS 863 HD1 HIS 53 4.845 3.114 10.902 356 HD2 HIS 863 HD2 HIS 53 8.642 3.949 12.332 357 HE1 HIS 863 HE1 HIS 53 5.732 5.045 9.534 358 H LYS 864 H LYS 54 10.581 2.973 11.863 359 HA LYS 864 HA LYS 54 10.583 2.213 14.735 360 HB2 LYS 864 HB2 LYS 54 13.108 2.305 13.050 361 HB3 LYS 864 HB3 LYS 54 12.986 2.042 14.760 362 HG2 LYS 864 HG2 LYS 54 11.814 0.148 12.642 363 HG3 LYS 864 HG3 LYS 54 13.328 -0.095 13.450 364 HD2 LYS 864 HD2 LYS 54 12.323 -0.627 15.526 365 HD3 LYS 864 HD3 LYS 54 10.819 0.072 15.086 366 HE2 LYS 864 HE2 LYS 54 10.514 -2.258 14.942 367 HE3 LYS 864 HE3 LYS 54 10.490 -1.626 13.304 368 HZ1 LYS 864 HZ1 LYS 54 12.866 -2.396 13.110 369 HZ2 LYS 864 HZ2 LYS 54 11.821 -3.621 13.373 370 HZ3 LYS 864 HZ3 LYS 54 12.759 -3.074 14.598 371 H GLU 865 H GLU 55 11.639 3.654 16.163 372 HA GLU 865 HA GLU 55 11.388 6.421 15.442 373 HB2 GLU 865 HB2 GLU 55 11.839 6.852 17.746 374 HB3 GLU 865 HB3 GLU 55 10.782 5.453 17.657 375 HG2 GLU 865 HG2 GLU 55 12.910 4.034 17.975 376 HG3 GLU 865 HG3 GLU 55 13.794 5.523 18.208 377 H ASP 866 H ASP 56 13.759 4.500 14.495 378 HA ASP 866 HA ASP 56 16.200 5.735 15.285 379 HB2 ASP 866 HB2 ASP 56 15.443 3.967 13.005 380 HB3 ASP 866 HB3 ASP 56 17.092 4.461 13.331 381 H HIS 867 H HIS 57 13.748 6.741 13.118 382 HA HIS 867 HA HIS 57 15.580 8.194 11.311 383 HB2 HIS 867 HB2 HIS 57 13.890 7.858 9.737 384 HB3 HIS 867 HB3 HIS 57 14.251 6.367 10.553 385 HD1 HIS 867 HD1 HIS 57 11.539 8.936 11.850 386 HD2 HIS 867 HD2 HIS 57 12.173 5.203 10.075 387 HE1 HIS 867 HE1 HIS 57 9.232 8.096 11.174 388 H GLN 868 H GLN 58 13.569 9.587 10.081 389 HA GLN 868 HA GLN 58 12.238 11.503 11.806 390 HB2 GLN 868 HB2 GLN 58 13.164 13.488 10.677 391 HB3 GLN 868 HB3 GLN 58 14.360 12.636 11.632 392 HG2 GLN 868 HG2 GLN 58 14.129 12.296 8.607 393 HG3 GLN 868 HG3 GLN 58 15.107 13.541 9.365 394 HE21 GLN 868 HE21 GLN 58 16.838 12.679 10.991 395 HE22 GLN 868 HE22 GLN 58 17.582 11.162 10.504 396 H LEU 869 H LEU 59 10.680 12.860 10.560 397 HA LEU 869 HA LEU 59 9.666 11.486 8.098 398 HB2 LEU 869 HB2 LEU 59 8.203 13.278 10.077 399 HB3 LEU 869 HB3 LEU 59 7.514 12.390 8.719 400 HG LEU 869 HG LEU 59 6.815 11.467 10.742 401 HD11 LEU 869 HD11 LEU 59 7.317 9.128 10.364 402 HD12 LEU 869 HD12 LEU 59 8.785 9.566 9.455 403 HD13 LEU 869 HD13 LEU 59 7.160 9.972 8.831 404 HD21 LEU 869 HD21 LEU 59 8.704 12.048 12.237 405 HD22 LEU 869 HD22 LEU 59 9.601 10.658 11.572 406 HD23 LEU 869 HD23 LEU 59 8.076 10.403 12.422 407 H GLU 870 H GLU 60 9.009 12.659 6.356 408 HA GLU 870 HA GLU 60 9.956 15.499 6.225 409 HB2 GLU 870 HB2 GLU 60 10.804 13.811 4.606 410 HB3 GLU 870 HB3 GLU 60 9.180 13.584 4.038 411 HG2 GLU 870 HG2 GLU 60 10.032 14.958 2.478 412 HG3 GLU 870 HG3 GLU 60 9.199 16.129 3.497 413 HA PRO 871 HA PRO 61 5.483 16.529 6.120 414 HB2 PRO 871 HB2 PRO 61 5.682 19.230 6.345 415 HB3 PRO 871 HB3 PRO 61 5.863 18.129 7.736 416 HG2 PRO 871 HG2 PRO 61 8.035 19.459 6.107 417 HG3 PRO 871 HG3 PRO 61 7.943 19.272 7.884 418 HD2 PRO 871 HD2 PRO 61 9.400 17.620 6.204 419 HD3 PRO 871 HD3 PRO 61 8.742 17.075 7.766 420 H ILE 872 H ILE 62 4.216 17.051 4.302 421 HA ILE 872 HA ILE 62 5.619 18.230 1.939 422 HB ILE 872 HB ILE 62 3.499 16.144 1.697 423 HG12 ILE 872 HG12 ILE 62 5.296 15.015 3.007 424 HG13 ILE 872 HG13 ILE 62 5.047 14.319 1.434 425 HG21 ILE 872 HG21 ILE 62 5.721 17.074 -0.178 426 HG22 ILE 872 HG22 ILE 62 4.054 17.615 -0.234 427 HG23 ILE 872 HG23 ILE 62 4.430 15.917 -0.571 428 HD11 ILE 872 HD11 ILE 62 7.261 16.308 1.988 429 HD12 ILE 872 HD12 ILE 62 7.043 15.307 0.540 430 HD13 ILE 872 HD13 ILE 62 7.440 14.545 2.093 431 H TYR 873 H TYR 63 4.788 20.051 1.543 432 HA TYR 873 HA TYR 63 2.139 20.825 2.513 433 HB2 TYR 873 HB2 TYR 63 4.521 22.476 1.594 434 HB3 TYR 873 HB3 TYR 63 3.009 23.128 2.194 435 HD1 TYR 873 HD1 TYR 63 6.268 21.917 3.158 436 HD2 TYR 873 HD2 TYR 63 2.220 22.457 4.557 437 HE1 TYR 873 HE1 TYR 63 7.062 21.818 5.510 438 HE2 TYR 873 HE2 TYR 63 3.013 22.344 6.908 439 HH TYR 873 HH TYR 63 6.482 22.049 7.749 440 H ARG 874 H ARG 64 2.800 19.315 -0.052 441 HA ARG 874 HA ARG 64 0.970 20.691 -1.860 442 HB2 ARG 874 HB2 ARG 64 2.584 20.733 -3.733 443 HB3 ARG 874 HB3 ARG 64 2.990 21.844 -2.419 444 HG2 ARG 874 HG2 ARG 64 4.779 20.385 -1.646 445 HG3 ARG 874 HG3 ARG 64 4.312 19.125 -2.808 446 HD2 ARG 874 HD2 ARG 64 4.768 20.658 -4.665 447 HD3 ARG 874 HD3 ARG 64 5.234 21.928 -3.507 448 HE ARG 874 HE ARG 64 6.797 19.576 -3.028 449 HH11 ARG 874 HH11 ARG 64 6.580 22.127 -5.419 450 HH12 ARG 874 HH12 ARG 64 8.256 21.971 -5.874 451 HH21 ARG 874 HH21 ARG 64 8.924 19.424 -3.665 452 HH22 ARG 874 HH22 ARG 64 9.543 20.480 -4.901 453 H1 ALA 1 H1 ALA 65 -0.110 4.818 4.084 454 H2 ALA 1 H2 ALA 65 1.444 5.040 3.642 455 H3 ALA 1 H3 ALA 65 1.090 3.991 4.854 456 HA ALA 1 HA ALA 65 1.644 2.834 2.808 457 HB1 ALA 1 HB1 ALA 65 -1.276 2.484 3.606 458 HB2 ALA 1 HB2 ALA 65 0.126 1.722 4.409 459 HB3 ALA 1 HB3 ALA 65 -0.271 1.304 2.741 460 H ARG 2 H ARG 66 1.049 2.293 0.599 461 HA ARG 2 HA ARG 66 -0.078 4.740 -0.734 462 HB2 ARG 2 HB2 ARG 66 1.981 2.810 -1.850 463 HB3 ARG 2 HB3 ARG 66 1.493 4.380 -2.504 464 HG2 ARG 2 HG2 ARG 66 3.001 3.844 0.079 465 HG3 ARG 2 HG3 ARG 66 3.655 4.549 -1.396 466 HD2 ARG 2 HD2 ARG 66 2.316 6.584 -1.066 467 HD3 ARG 2 HD3 ARG 66 1.442 5.839 0.274 468 HE ARG 2 HE ARG 66 3.055 6.338 1.734 469 HH11 ARG 2 HH11 ARG 66 4.688 6.661 -1.370 470 HH12 ARG 2 HH12 ARG 66 6.068 7.417 -0.639 471 HH21 ARG 2 HH21 ARG 66 4.633 7.462 2.524 472 HH22 ARG 2 HH22 ARG 66 6.100 7.770 1.614 473 H THR 3 H THR 67 -2.122 4.374 -1.090 474 HA THR 3 HA THR 67 -3.098 2.041 -2.639 475 HB THR 3 HB THR 67 -5.243 3.329 -2.591 476 HG1 THR 3 HG1 THR 67 -5.300 5.212 -1.355 477 HG21 THR 3 HG21 THR 67 -3.943 3.125 0.174 478 HG22 THR 3 HG22 THR 67 -4.666 1.763 -0.713 479 HG23 THR 3 HG23 THR 67 -5.676 3.124 -0.194 480 HH31 ALY 4 H26 ALY 68 2.139 6.455 -10.057 481 HH32 ALY 4 H27 ALY 68 3.079 7.734 -10.867 482 HH33 ALY 4 H28 ALY 68 1.334 7.580 -11.179 483 HZ ALY 4 HZ1 ALY 68 -0.019 7.602 -9.134 484 HE3 ALY 4 HE3 ALY 68 0.982 9.510 -7.048 485 HE2 ALY 4 HE2 ALY 68 -0.563 9.807 -7.862 486 HD3 ALY 4 HD3 ALY 68 -0.860 8.669 -5.702 487 HD2 ALY 4 HD2 ALY 68 -1.432 7.664 -7.048 488 HG3 ALY 4 HG3 ALY 68 0.626 6.297 -6.939 489 HG2 ALY 4 HG2 ALY 68 1.315 7.385 -5.735 490 HB3 ALY 4 HB3 ALY 68 0.521 5.345 -4.690 491 HB2 ALY 4 HB2 ALY 68 -0.355 6.747 -4.095 492 HCA ALY 4 HA ALY 68 -2.298 6.150 -5.525 493 H ALY 4 H ALY 68 -1.549 5.002 -3.217 494 H GLN 5 H GLN 69 -2.963 5.429 -7.419 495 HA GLN 5 HA GLN 69 -1.889 2.989 -8.686 496 HB2 GLN 5 HB2 GLN 69 -4.006 4.980 -9.608 497 HB3 GLN 5 HB3 GLN 69 -3.611 3.452 -10.401 498 HG2 GLN 5 HG2 GLN 69 -4.813 3.774 -7.611 499 HG3 GLN 5 HG3 GLN 69 -5.645 3.232 -9.060 500 HE21 GLN 5 HE21 GLN 69 -4.006 2.130 -6.283 501 HE22 GLN 5 HE22 GLN 69 -3.766 0.474 -6.833 502 H THR 6 H THR 70 -1.163 3.015 -10.944 503 HA THR 6 HA THR 70 0.926 4.969 -11.419 504 HB THR 6 HB THR 70 1.286 3.671 -13.507 505 HG1 THR 6 HG1 THR 70 0.024 1.832 -13.848 506 HG21 THR 6 HG21 THR 70 2.010 1.596 -12.455 507 HG22 THR 6 HG22 THR 70 0.971 1.900 -11.045 508 HG23 THR 6 HG23 THR 70 2.355 2.963 -11.380 509 H ALA 7 H ALA 71 -2.392 4.729 -12.470 510 HA ALA 7 HA ALA 71 -2.200 7.286 -13.900 511 HB1 ALA 7 HB1 ALA 71 -3.279 6.373 -15.938 512 HB2 ALA 7 HB2 ALA 71 -3.194 4.741 -15.257 513 HB3 ALA 7 HB3 ALA 71 -1.699 5.620 -15.655 514 H ARG 8 H ARG 72 -4.299 8.197 -14.400 515 HA ARG 8 HA ARG 72 -6.259 7.902 -12.290 516 HB2 ARG 8 HB2 ARG 72 -5.694 10.045 -13.282 517 HB3 ARG 8 HB3 ARG 72 -6.277 9.536 -14.860 518 HG2 ARG 8 HG2 ARG 72 -8.111 9.548 -12.430 519 HG3 ARG 8 HG3 ARG 72 -7.752 11.042 -13.280 520 HD2 ARG 8 HD2 ARG 72 -9.023 8.617 -14.621 521 HD3 ARG 8 HD3 ARG 72 -9.894 9.985 -13.958 522 HE ARG 8 HE ARG 72 -9.077 11.414 -15.630 523 HH11 ARG 8 HH11 ARG 72 -8.745 11.753 -17.771 524 HH12 ARG 8 HH12 ARG 72 -8.097 10.493 -18.776 525 HH21 ARG 8 HH21 ARG 72 -7.822 8.173 -16.250 526 HH22 ARG 8 HH22 ARG 72 -7.640 8.510 -17.953 Start of MODEL 3 1 H1 GLY 811 H1 GLY 1 -6.832 26.740 4.441 2 H2 GLY 811 H2 GLY 1 -7.580 25.380 3.918 3 H3 GLY 811 H3 GLY 1 -8.426 26.781 4.068 4 HA2 GLY 811 HA2 GLY 1 -7.988 26.402 1.736 5 HA3 GLY 811 HA3 GLY 1 -7.110 27.831 2.313 6 HA PRO 812 HA PRO 2 -4.314 24.875 0.002 7 HB2 PRO 812 HB2 PRO 2 -3.193 27.538 -0.869 8 HB3 PRO 812 HB3 PRO 2 -3.348 25.997 -1.782 9 HG2 PRO 812 HG2 PRO 2 -5.155 27.987 -2.158 10 HG3 PRO 812 HG3 PRO 2 -5.721 26.293 -1.999 11 HD2 PRO 812 HD2 PRO 2 -5.664 28.461 0.117 12 HD3 PRO 812 HD3 PRO 2 -6.979 27.318 -0.291 13 H LEU 813 H LEU 3 -2.115 24.365 0.297 14 HA LEU 813 HA LEU 3 -0.347 23.835 1.576 15 HB2 LEU 813 HB2 LEU 3 -0.323 26.635 2.705 16 HB3 LEU 813 HB3 LEU 3 1.005 25.496 2.645 17 HG LEU 813 HG LEU 3 -0.284 26.775 0.183 18 HD11 LEU 813 HD11 LEU 3 1.743 28.157 0.115 19 HD12 LEU 813 HD12 LEU 3 2.303 27.436 1.642 20 HD13 LEU 813 HD13 LEU 3 0.827 28.430 1.609 21 HD21 LEU 813 HD21 LEU 3 2.317 25.214 0.489 22 HD22 LEU 813 HD22 LEU 3 1.711 25.968 -0.999 23 HD23 LEU 813 HD23 LEU 3 0.841 24.602 -0.298 24 H GLY 814 H GLY 4 -3.100 25.155 3.291 25 HA2 GLY 814 HA2 GLY 4 -2.405 23.662 5.777 26 HA3 GLY 814 HA3 GLY 4 -3.660 24.878 5.567 27 H SER 815 H SER 5 -4.292 23.169 2.937 28 HA SER 815 HA SER 5 -5.946 21.082 4.226 29 HB2 SER 815 HB2 SER 5 -6.967 23.136 2.246 30 HB3 SER 815 HB3 SER 5 -7.919 21.873 3.036 31 HG SER 815 HG SER 5 -7.567 22.893 5.038 32 H VAL 816 H VAL 6 -3.516 20.861 2.428 33 HA VAL 816 HA VAL 6 -4.211 20.072 -0.214 34 HB VAL 816 HB VAL 6 -1.960 19.288 1.675 35 HG11 VAL 816 HG11 VAL 6 -0.581 18.765 -0.146 36 HG12 VAL 816 HG12 VAL 6 -1.889 19.140 -1.318 37 HG13 VAL 816 HG13 VAL 6 -2.033 17.768 -0.185 38 HG21 VAL 816 HG21 VAL 6 -0.635 21.057 0.705 39 HG22 VAL 816 HG22 VAL 6 -2.122 21.782 1.275 40 HG23 VAL 816 HG23 VAL 6 -1.920 21.464 -0.464 41 H GLN 817 H GLN 7 -5.023 18.244 -1.049 42 HA GLN 817 HA GLN 7 -5.659 16.011 0.777 43 HB2 GLN 817 HB2 GLN 7 -6.959 15.206 -1.144 44 HB3 GLN 817 HB3 GLN 7 -7.448 16.781 -0.540 45 HG2 GLN 817 HG2 GLN 7 -7.357 17.660 -2.562 46 HG3 GLN 817 HG3 GLN 7 -5.640 17.351 -2.658 47 HE21 GLN 817 HE21 GLN 7 -4.989 15.126 -3.366 48 HE22 GLN 817 HE22 GLN 7 -5.953 14.400 -4.665 49 H HIS 818 H HIS 8 -4.439 14.232 0.997 50 HA HIS 818 HA HIS 8 -2.545 13.491 -1.178 51 HB2 HIS 818 HB2 HIS 8 -2.442 12.296 1.567 52 HB3 HIS 818 HB3 HIS 8 -1.156 12.575 0.399 53 HD2 HIS 818 HD2 HIS 8 -0.738 15.418 -0.051 54 HE1 HIS 818 HE1 HIS 8 -1.959 16.411 3.892 55 HE2 HIS 818 HE2 HIS 8 -0.833 17.306 1.763 56 H VAL 819 H VAL 9 -4.847 12.834 -2.148 57 HA VAL 819 HA VAL 9 -5.967 10.289 -1.512 58 HB VAL 819 HB VAL 9 -5.821 11.718 -4.134 59 HG11 VAL 819 HG11 VAL 9 -6.171 9.333 -4.609 60 HG12 VAL 819 HG12 VAL 9 -7.672 10.228 -4.834 61 HG13 VAL 819 HG13 VAL 9 -7.446 9.259 -3.361 62 HG21 VAL 819 HG21 VAL 9 -8.048 11.340 -2.076 63 HG22 VAL 819 HG22 VAL 9 -8.198 12.224 -3.612 64 HG23 VAL 819 HG23 VAL 9 -7.144 12.847 -2.337 65 H GLY 820 H GLY 10 -5.271 8.299 -1.644 66 HA2 GLY 820 HA2 GLY 10 -3.920 6.505 -2.419 67 HA3 GLY 820 HA3 GLY 10 -2.792 7.650 -3.132 68 H PHE 821 H PHE 11 -3.410 8.817 0.001 69 HA PHE 821 HA PHE 11 -1.413 7.023 1.320 70 HB2 PHE 821 HB2 PHE 11 -1.321 10.047 1.442 71 HB3 PHE 821 HB3 PHE 11 -0.157 8.894 2.070 72 HD1 PHE 821 HD1 PHE 11 -1.265 10.796 -0.797 73 HD2 PHE 821 HD2 PHE 11 1.435 7.746 0.537 74 HE1 PHE 821 HE1 PHE 11 0.084 11.142 -2.836 75 HE2 PHE 821 HE2 PHE 11 2.724 7.971 -1.589 76 HZ PHE 821 HZ PHE 11 2.082 9.753 -3.231 77 H LYS 822 H LYS 12 -3.018 6.068 2.553 78 HA LYS 822 HA LYS 12 -4.628 7.659 4.508 79 HB2 LYS 822 HB2 LYS 12 -5.823 5.870 3.573 80 HB3 LYS 822 HB3 LYS 12 -4.507 4.795 3.605 81 HG2 LYS 822 HG2 LYS 12 -5.170 5.365 6.401 82 HG3 LYS 822 HG3 LYS 12 -6.641 5.219 5.541 83 HD2 LYS 822 HD2 LYS 12 -6.226 3.156 6.469 84 HD3 LYS 822 HD3 LYS 12 -5.967 2.963 4.723 85 HE2 LYS 822 HE2 LYS 12 -3.505 3.109 5.108 86 HE3 LYS 822 HE3 LYS 12 -3.794 3.360 6.841 87 HZ1 LYS 822 HZ1 LYS 12 -3.296 1.006 6.376 88 HZ2 LYS 822 HZ2 LYS 12 -4.561 0.886 5.342 89 HZ3 LYS 822 HZ3 LYS 12 -4.821 1.138 6.933 90 H CYS 823 H CYS 13 -4.074 7.766 6.687 91 HA CYS 823 HA CYS 13 -1.297 7.635 7.374 92 HB2 CYS 823 HB2 CYS 13 -2.925 9.296 8.192 93 HB3 CYS 823 HB3 CYS 13 -3.815 8.011 8.978 94 H ASP 824 H ASP 14 -0.312 6.496 8.987 95 HA ASP 824 HA ASP 14 -1.243 3.698 9.505 96 HB2 ASP 824 HB2 ASP 14 1.486 5.027 9.694 97 HB3 ASP 824 HB3 ASP 14 1.146 3.365 10.154 98 H ASN 825 H ASN 15 -0.363 6.706 11.114 99 HA ASN 825 HA ASN 15 -0.155 5.636 13.779 100 HB2 ASN 825 HB2 ASN 15 0.684 7.854 13.054 101 HB3 ASN 825 HB3 ASN 15 -0.988 8.433 12.913 102 HD21 ASN 825 HD21 ASN 15 -0.903 9.980 14.551 103 HD22 ASN 825 HD22 ASN 15 -0.650 9.534 16.249 104 H CYS 826 H CYS 16 -2.914 7.419 12.281 105 HA CYS 826 HA CYS 16 -4.684 6.315 14.372 106 HB2 CYS 826 HB2 CYS 16 -5.877 8.302 14.292 107 HB3 CYS 826 HB3 CYS 16 -4.187 8.804 14.248 108 H GLY 827 H GLY 17 -4.156 6.130 10.969 109 HA2 GLY 827 HA2 GLY 17 -4.994 4.580 9.565 110 HA3 GLY 827 HA3 GLY 17 -6.215 4.106 10.712 111 H ILE 828 H ILE 18 -6.086 7.537 10.208 112 HA ILE 828 HA ILE 18 -8.553 7.703 8.893 113 HB ILE 828 HB ILE 18 -7.596 9.579 10.114 114 HG12 ILE 828 HG12 ILE 18 -7.871 10.391 7.186 115 HG13 ILE 828 HG13 ILE 18 -9.237 9.936 8.164 116 HG21 ILE 828 HG21 ILE 18 -5.805 10.947 9.205 117 HG22 ILE 828 HG22 ILE 18 -5.540 9.840 7.852 118 HG23 ILE 828 HG23 ILE 18 -5.205 9.340 9.510 119 HD11 ILE 828 HD11 ILE 18 -8.718 11.780 9.762 120 HD12 ILE 828 HD12 ILE 18 -9.139 12.309 8.126 121 HD13 ILE 828 HD13 ILE 18 -7.449 12.336 8.638 122 H GLU 829 H GLU 19 -9.093 7.866 6.830 123 HA GLU 829 HA GLU 19 -7.774 6.643 4.634 124 HB2 GLU 829 HB2 GLU 19 -9.676 8.779 4.116 125 HB3 GLU 829 HB3 GLU 19 -9.659 7.135 3.496 126 HG2 GLU 829 HG2 GLU 19 -10.818 8.059 6.129 127 HG3 GLU 829 HG3 GLU 19 -11.693 7.503 4.714 128 HA PRO 830 HA PRO 20 -5.196 9.355 2.384 129 HB2 PRO 830 HB2 PRO 20 -7.560 10.746 1.120 130 HB3 PRO 830 HB3 PRO 20 -5.910 10.476 0.477 131 HG2 PRO 830 HG2 PRO 20 -7.920 8.787 -0.135 132 HG3 PRO 830 HG3 PRO 20 -6.283 8.164 0.234 133 HD2 PRO 830 HD2 PRO 20 -8.755 8.250 1.940 134 HD3 PRO 830 HD3 PRO 20 -7.423 7.052 1.981 135 H ILE 831 H ILE 21 -4.075 10.656 3.554 136 HA ILE 831 HA ILE 21 -5.016 12.317 5.571 137 HB ILE 831 HB ILE 21 -2.337 12.240 4.152 138 HG12 ILE 831 HG12 ILE 21 -2.926 11.114 6.912 139 HG13 ILE 831 HG13 ILE 21 -3.349 10.175 5.507 140 HG21 ILE 831 HG21 ILE 21 -1.325 13.269 6.187 141 HG22 ILE 831 HG22 ILE 21 -2.949 13.541 6.849 142 HG23 ILE 831 HG23 ILE 21 -2.399 14.392 5.394 143 HD11 ILE 831 HD11 ILE 21 -1.056 10.250 4.659 144 HD12 ILE 831 HD12 ILE 21 -1.141 9.537 6.285 145 HD13 ILE 831 HD13 ILE 21 -0.547 11.187 6.074 146 H GLN 832 H GLN 22 -4.923 14.550 5.984 147 HA GLN 832 HA GLN 22 -5.050 16.245 3.531 148 HB2 GLN 832 HB2 GLN 22 -6.880 16.500 5.948 149 HB3 GLN 832 HB3 GLN 22 -6.971 17.419 4.452 150 HG2 GLN 832 HG2 GLN 22 -7.442 14.399 4.628 151 HG3 GLN 832 HG3 GLN 22 -8.687 15.596 4.777 152 HE21 GLN 832 HE21 GLN 22 -7.633 13.465 2.586 153 HE22 GLN 832 HE22 GLN 22 -8.089 14.356 1.132 154 H GLY 833 H GLY 23 -4.072 18.113 3.552 155 HA2 GLY 833 HA2 GLY 23 -3.685 20.270 4.742 156 HA3 GLY 833 HA3 GLY 23 -3.061 19.369 6.078 157 H VAL 834 H VAL 24 -1.261 17.862 5.525 158 HA VAL 834 HA VAL 24 0.606 18.581 3.420 159 HB VAL 834 HB VAL 24 0.958 20.107 5.358 160 HG11 VAL 834 HG11 VAL 24 1.773 17.673 6.907 161 HG12 VAL 834 HG12 VAL 24 0.257 18.599 7.126 162 HG13 VAL 834 HG13 VAL 24 1.827 19.372 7.449 163 HG21 VAL 834 HG21 VAL 24 3.407 19.734 5.645 164 HG22 VAL 834 HG22 VAL 24 2.914 19.594 3.957 165 HG23 VAL 834 HG23 VAL 24 3.242 18.128 4.919 166 H ARG 835 H ARG 25 1.756 16.658 2.809 167 HA ARG 835 HA ARG 25 0.829 14.161 4.111 168 HB2 ARG 835 HB2 ARG 25 1.207 14.436 1.553 169 HB3 ARG 835 HB3 ARG 25 2.921 14.410 1.949 170 HG2 ARG 835 HG2 ARG 25 2.663 12.168 2.965 171 HG3 ARG 835 HG3 ARG 25 0.964 12.151 2.460 172 HD2 ARG 835 HD2 ARG 25 1.563 12.026 0.157 173 HD3 ARG 835 HD3 ARG 25 3.197 12.643 0.462 174 HE ARG 835 HE ARG 25 2.491 10.067 1.747 175 HH11 ARG 835 HH11 ARG 25 4.282 11.385 -1.005 176 HH12 ARG 835 HH12 ARG 25 5.364 10.023 -0.974 177 HH21 ARG 835 HH21 ARG 25 3.763 8.540 1.701 178 HH22 ARG 835 HH22 ARG 25 5.201 8.498 0.681 179 H TRP 836 H TRP 26 2.379 12.648 5.085 180 HA TRP 836 HA TRP 26 5.085 13.792 5.624 181 HB2 TRP 836 HB2 TRP 26 3.430 12.514 7.808 182 HB3 TRP 836 HB3 TRP 26 5.131 12.721 7.827 183 HD1 TRP 836 HD1 TRP 26 2.056 14.971 8.016 184 HE1 TRP 836 HE1 TRP 26 2.841 17.267 8.970 185 HE3 TRP 836 HE3 TRP 26 7.085 14.430 7.487 186 HZ2 TRP 836 HZ2 TRP 26 5.316 18.470 9.772 187 HZ3 TRP 836 HZ3 TRP 26 8.662 16.059 8.475 188 HH2 TRP 836 HH2 TRP 26 7.797 18.060 9.663 189 H HIS 837 H HIS 27 6.070 12.692 4.179 190 HA HIS 837 HA HIS 27 5.617 9.786 3.745 191 HB2 HIS 837 HB2 HIS 27 5.836 11.161 1.785 192 HB3 HIS 837 HB3 HIS 27 7.278 11.948 2.387 193 HD2 HIS 837 HD2 HIS 27 9.573 10.943 1.727 194 HE1 HIS 837 HE1 HIS 27 8.289 7.183 0.181 195 HE2 HIS 837 HE2 HIS 27 10.285 8.727 0.487 196 H CYS 838 H CYS 28 6.627 8.402 5.082 197 HA CYS 838 HA CYS 28 8.885 8.937 6.693 198 HB2 CYS 838 HB2 CYS 28 7.438 6.554 5.634 199 HB3 CYS 838 HB3 CYS 28 9.074 6.319 6.276 200 H GLN 839 H GLN 29 11.004 9.197 6.280 201 HA GLN 839 HA GLN 29 11.910 9.098 3.526 202 HB2 GLN 839 HB2 GLN 29 13.361 9.840 6.087 203 HB3 GLN 839 HB3 GLN 29 14.004 10.034 4.463 204 HG2 GLN 839 HG2 GLN 29 11.692 11.334 4.059 205 HG3 GLN 839 HG3 GLN 29 11.744 11.539 5.797 206 HE21 GLN 839 HE21 GLN 29 12.099 13.843 5.802 207 HE22 GLN 839 HE22 GLN 29 13.458 14.559 4.967 208 H ASP 840 H ASP 30 12.485 7.113 6.398 209 HA ASP 840 HA ASP 30 14.691 5.663 4.977 210 HB2 ASP 840 HB2 ASP 30 15.129 6.730 7.164 211 HB3 ASP 840 HB3 ASP 30 13.892 5.711 7.889 212 H CYS 841 H CYS 31 11.486 5.126 6.410 213 HA CYS 841 HA CYS 31 11.553 2.287 6.283 214 HB2 CYS 841 HB2 CYS 31 9.111 4.096 6.140 215 HB3 CYS 841 HB3 CYS 31 9.159 2.384 6.506 216 HA PRO 842 HA PRO 32 11.886 1.695 2.036 217 HB2 PRO 842 HB2 PRO 32 11.010 -0.854 1.572 218 HB3 PRO 842 HB3 PRO 32 12.427 -0.471 2.593 219 HG2 PRO 842 HG2 PRO 32 9.574 -0.996 3.503 220 HG3 PRO 842 HG3 PRO 32 11.088 -1.740 4.118 221 HD2 PRO 842 HD2 PRO 32 9.919 0.403 5.350 222 HD3 PRO 842 HD3 PRO 32 11.683 0.209 5.278 223 HA PRO 843 HA PRO 33 8.337 2.831 -0.410 224 HB2 PRO 843 HB2 PRO 33 9.496 0.932 -2.469 225 HB3 PRO 843 HB3 PRO 33 8.841 2.586 -2.701 226 HG2 PRO 843 HG2 PRO 33 11.508 2.228 -2.566 227 HG3 PRO 843 HG3 PRO 33 10.764 3.560 -1.622 228 HD2 PRO 843 HD2 PRO 33 11.597 0.804 -0.660 229 HD3 PRO 843 HD3 PRO 33 11.890 2.406 0.083 230 H GLU 844 H GLU 34 9.059 -0.656 -0.270 231 HA GLU 844 HA GLU 34 6.554 -1.721 -1.019 232 HB2 GLU 844 HB2 GLU 34 8.588 -3.029 -0.719 233 HB3 GLU 844 HB3 GLU 34 8.581 -2.719 1.025 234 HG2 GLU 844 HG2 GLU 34 6.573 -4.047 1.321 235 HG3 GLU 844 HG3 GLU 34 6.290 -4.106 -0.420 236 H MET 845 H MET 35 7.593 -0.433 2.112 237 HA MET 845 HA MET 35 4.964 -0.922 3.389 238 HB2 MET 845 HB2 MET 35 7.518 0.398 4.369 239 HB3 MET 845 HB3 MET 35 6.021 0.354 5.300 240 HG2 MET 845 HG2 MET 35 7.439 -2.128 4.278 241 HG3 MET 845 HG3 MET 35 7.666 -1.443 5.884 242 HE1 MET 845 HE1 MET 35 5.998 -1.538 7.848 243 HE2 MET 845 HE2 MET 35 4.342 -2.160 7.749 244 HE3 MET 845 HE3 MET 35 4.746 -0.634 6.956 245 H SER 846 H SER 36 6.894 1.834 2.256 246 HA SER 846 HA SER 36 6.582 4.083 2.402 247 HB2 SER 846 HB2 SER 36 6.119 3.460 0.129 248 HB3 SER 846 HB3 SER 36 4.396 3.314 0.480 249 HG SER 846 HG SER 36 5.101 5.409 -0.404 250 H LEU 847 H LEU 37 6.148 4.357 4.501 251 HA LEU 847 HA LEU 37 3.442 4.302 5.587 252 HB2 LEU 847 HB2 LEU 37 6.223 4.739 6.693 253 HB3 LEU 847 HB3 LEU 37 4.852 5.128 7.645 254 HG LEU 847 HG LEU 37 4.607 2.414 6.374 255 HD11 LEU 847 HD11 LEU 37 6.920 2.404 6.272 256 HD12 LEU 847 HD12 LEU 37 6.452 1.351 7.614 257 HD13 LEU 847 HD13 LEU 37 7.093 2.992 7.936 258 HD21 LEU 847 HD21 LEU 37 3.311 2.193 8.108 259 HD22 LEU 847 HD22 LEU 37 4.001 3.547 8.982 260 HD23 LEU 847 HD23 LEU 37 4.757 1.909 9.058 261 H ASP 848 H ASP 38 2.478 6.077 6.829 262 HA ASP 848 HA ASP 38 3.197 8.770 5.915 263 HB2 ASP 848 HB2 ASP 38 0.464 7.620 5.311 264 HB3 ASP 848 HB3 ASP 38 1.019 9.277 5.049 265 H PHE 849 H PHE 39 2.421 10.430 7.140 266 HA PHE 849 HA PHE 39 0.492 9.821 9.331 267 HB2 PHE 849 HB2 PHE 39 3.034 11.439 9.823 268 HB3 PHE 849 HB3 PHE 39 1.755 11.045 10.918 269 HD1 PHE 849 HD1 PHE 39 4.370 9.258 8.766 270 HD2 PHE 849 HD2 PHE 39 2.046 9.346 12.400 271 HE1 PHE 849 HE1 PHE 39 5.443 7.256 9.507 272 HE2 PHE 849 HE2 PHE 39 3.090 7.231 13.129 273 HZ PHE 849 HZ PHE 39 4.775 6.090 11.684 274 H CYS 850 H CYS 40 -0.912 11.458 9.951 275 HA CYS 850 HA CYS 40 -1.324 13.744 8.359 276 HB2 CYS 850 HB2 CYS 40 -2.131 13.203 11.235 277 HB3 CYS 850 HB3 CYS 40 -2.925 14.329 10.139 278 H ASP 851 H ASP 41 -1.423 16.033 9.249 279 HA ASP 851 HA ASP 41 1.056 17.120 9.966 280 HB2 ASP 851 HB2 ASP 41 -0.073 19.162 10.212 281 HB3 ASP 851 HB3 ASP 41 -0.912 18.298 8.937 282 H SER 852 H SER 42 -1.456 15.891 12.093 283 HA SER 852 HA SER 42 -0.105 16.781 14.541 284 HB2 SER 852 HB2 SER 42 -2.563 16.791 14.394 285 HB3 SER 852 HB3 SER 42 -2.553 15.034 14.138 286 HG SER 852 HG SER 42 -2.930 15.664 16.356 287 H CYS 853 H CYS 43 -0.645 13.721 12.759 288 HA CYS 853 HA CYS 43 0.289 11.969 14.801 289 HB2 CYS 853 HB2 CYS 43 -0.241 11.736 11.843 290 HB3 CYS 853 HB3 CYS 43 0.165 10.382 12.872 291 H SER 854 H SER 44 1.842 13.662 12.141 292 HA SER 854 HA SER 44 4.193 12.083 11.810 293 HB2 SER 854 HB2 SER 44 5.041 14.061 10.695 294 HB3 SER 854 HB3 SER 44 3.325 13.890 10.327 295 HG SER 854 HG SER 44 3.883 16.051 10.938 296 H ASP 855 H ASP 45 3.270 14.236 14.350 297 HA ASP 855 HA ASP 45 5.949 14.534 15.479 298 HB2 ASP 855 HB2 ASP 45 4.126 16.316 15.565 299 HB3 ASP 855 HB3 ASP 45 3.267 15.279 16.703 300 H CYS 856 H CYS 46 3.644 12.055 15.431 301 HA CYS 856 HA CYS 46 3.707 11.347 18.226 302 HB2 CYS 856 HB2 CYS 46 1.820 11.008 16.435 303 HB3 CYS 856 HB3 CYS 46 2.731 9.576 15.950 304 HG CYS 856 HG CYS 46 2.812 8.469 18.349 305 H LEU 857 H LEU 47 5.756 10.628 15.614 306 HA LEU 857 HA LEU 47 7.565 9.327 15.314 307 HB2 LEU 857 HB2 LEU 47 8.160 10.994 17.044 308 HB3 LEU 857 HB3 LEU 47 7.864 9.814 18.301 309 HG LEU 857 HG LEU 47 9.723 8.446 17.648 310 HD11 LEU 857 HD11 LEU 47 9.600 8.376 15.264 311 HD12 LEU 857 HD12 LEU 47 11.165 9.131 15.640 312 HD13 LEU 857 HD13 LEU 47 9.815 10.147 15.121 313 HD21 LEU 857 HD21 LEU 47 10.277 10.506 18.888 314 HD22 LEU 857 HD22 LEU 47 10.567 11.356 17.351 315 HD23 LEU 857 HD23 LEU 47 11.602 9.990 17.834 316 H HIS 858 H HIS 48 6.213 7.535 14.739 317 HA HIS 858 HA HIS 48 5.806 5.462 16.780 318 HB2 HIS 858 HB2 HIS 48 3.883 6.395 15.449 319 HB3 HIS 858 HB3 HIS 48 4.635 5.726 13.999 320 HD2 HIS 858 HD2 HIS 48 3.957 3.318 13.366 321 HE1 HIS 858 HE1 HIS 48 2.255 2.046 17.069 322 HE2 HIS 858 HE2 HIS 48 2.639 1.405 14.641 323 H GLU 859 H GLU 49 5.970 3.226 16.289 324 HA GLU 859 HA GLU 49 7.985 2.513 14.275 325 HB2 GLU 859 HB2 GLU 49 8.319 1.470 17.100 326 HB3 GLU 859 HB3 GLU 49 9.418 1.419 15.773 327 HG2 GLU 859 HG2 GLU 49 9.627 3.942 15.913 328 HG3 GLU 859 HG3 GLU 49 8.606 3.903 17.335 329 H THR 860 H THR 50 7.831 0.451 13.483 330 HA THR 860 HA THR 50 5.726 -1.375 14.619 331 HB THR 860 HB THR 50 4.864 -1.950 12.538 332 HG1 THR 860 HG1 THR 50 5.728 -1.301 10.602 333 HG21 THR 860 HG21 THR 50 3.855 0.130 13.201 334 HG22 THR 860 HG22 THR 50 4.106 0.165 11.448 335 HG23 THR 860 HG23 THR 50 5.161 1.098 12.525 336 H ASP 861 H ASP 51 6.499 -3.274 12.368 337 HA ASP 861 HA ASP 51 8.797 -4.566 13.617 338 HB2 ASP 861 HB2 ASP 51 6.836 -5.805 12.646 339 HB3 ASP 861 HB3 ASP 51 7.291 -5.208 11.051 340 H ILE 862 H ILE 52 8.104 -2.502 10.888 341 HA ILE 862 HA ILE 52 10.911 -2.566 9.975 342 HB ILE 862 HB ILE 52 8.390 -2.009 8.429 343 HG12 ILE 862 HG12 ILE 52 10.570 -4.168 8.408 344 HG13 ILE 862 HG13 ILE 52 8.896 -4.393 8.933 345 HG21 ILE 862 HG21 ILE 52 10.008 -1.723 6.507 346 HG22 ILE 862 HG22 ILE 52 11.331 -1.707 7.699 347 HG23 ILE 862 HG23 ILE 52 10.095 -0.429 7.694 348 HD11 ILE 862 HD11 ILE 52 9.872 -3.892 6.129 349 HD12 ILE 862 HD12 ILE 52 8.148 -3.854 6.628 350 HD13 ILE 862 HD13 ILE 52 9.105 -5.346 6.788 351 H HIS 863 H HIS 53 8.141 -0.513 10.836 352 HA HIS 863 HA HIS 53 9.510 1.967 10.272 353 HB2 HIS 863 HB2 HIS 53 7.393 2.097 9.841 354 HB3 HIS 863 HB3 HIS 53 6.732 1.128 10.976 355 HD1 HIS 863 HD1 HIS 53 4.978 3.225 10.868 356 HD2 HIS 863 HD2 HIS 53 8.800 4.158 12.138 357 HE1 HIS 863 HE1 HIS 53 5.807 5.088 9.375 358 H LYS 864 H LYS 54 10.731 3.202 11.583 359 HA LYS 864 HA LYS 54 10.825 2.618 14.490 360 HB2 LYS 864 HB2 LYS 54 13.319 2.702 12.754 361 HB3 LYS 864 HB3 LYS 54 13.224 2.481 14.474 362 HG2 LYS 864 HG2 LYS 54 12.095 0.517 12.409 363 HG3 LYS 864 HG3 LYS 54 13.605 0.321 13.220 364 HD2 LYS 864 HD2 LYS 54 12.687 -0.181 15.294 365 HD3 LYS 864 HD3 LYS 54 11.122 0.445 14.920 366 HE2 LYS 864 HE2 LYS 54 10.648 -1.318 13.344 367 HE3 LYS 864 HE3 LYS 54 12.320 -1.851 13.329 368 HZ1 LYS 864 HZ1 LYS 54 11.978 -2.428 15.774 369 HZ2 LYS 864 HZ2 LYS 54 11.115 -3.336 14.728 370 HZ3 LYS 864 HZ3 LYS 54 10.364 -2.143 15.542 371 H GLU 865 H GLU 55 11.857 4.232 15.793 372 HA GLU 865 HA GLU 55 11.526 6.918 14.818 373 HB2 GLU 865 HB2 GLU 55 12.002 7.583 17.064 374 HB3 GLU 865 HB3 GLU 55 10.953 6.181 17.113 375 HG2 GLU 865 HG2 GLU 55 13.064 4.797 17.572 376 HG3 GLU 865 HG3 GLU 55 13.973 6.296 17.610 377 H ASP 866 H ASP 56 13.957 4.948 14.064 378 HA ASP 866 HA ASP 56 16.330 6.311 14.798 379 HB2 ASP 866 HB2 ASP 56 15.958 3.885 14.145 380 HB3 ASP 866 HB3 ASP 56 15.951 4.469 12.486 381 H HIS 867 H HIS 57 13.966 7.045 12.492 382 HA HIS 867 HA HIS 57 15.774 8.274 10.508 383 HB2 HIS 867 HB2 HIS 57 14.009 7.845 9.016 384 HB3 HIS 867 HB3 HIS 57 14.399 6.425 9.920 385 HD1 HIS 867 HD1 HIS 57 11.774 9.084 11.217 386 HD2 HIS 867 HD2 HIS 57 12.268 5.266 9.578 387 HE1 HIS 867 HE1 HIS 57 9.425 8.248 10.689 388 H GLN 868 H GLN 58 13.691 9.587 9.220 389 HA GLN 868 HA GLN 58 12.468 11.666 10.825 390 HB2 GLN 868 HB2 GLN 58 13.306 13.527 9.488 391 HB3 GLN 868 HB3 GLN 58 14.617 12.745 10.347 392 HG2 GLN 868 HG2 GLN 58 13.986 12.182 7.406 393 HG3 GLN 868 HG3 GLN 58 15.080 13.449 7.938 394 HE21 GLN 868 HE21 GLN 58 16.983 12.663 9.390 395 HE22 GLN 868 HE22 GLN 58 17.630 11.093 8.939 396 H LEU 869 H LEU 59 10.849 12.885 9.551 397 HA LEU 869 HA LEU 59 9.684 11.292 7.287 398 HB2 LEU 869 HB2 LEU 59 8.409 13.367 9.114 399 HB3 LEU 869 HB3 LEU 59 7.608 12.374 7.895 400 HG LEU 869 HG LEU 59 6.970 11.688 10.033 401 HD11 LEU 869 HD11 LEU 59 7.426 9.305 9.925 402 HD12 LEU 869 HD12 LEU 59 8.857 9.603 8.912 403 HD13 LEU 869 HD13 LEU 59 7.213 9.949 8.302 404 HD21 LEU 869 HD21 LEU 59 8.266 10.795 11.774 405 HD22 LEU 869 HD22 LEU 59 8.955 12.376 11.372 406 HD23 LEU 869 HD23 LEU 59 9.762 10.876 10.844 407 H GLU 870 H GLU 60 8.745 12.485 5.520 408 HA GLU 870 HA GLU 60 10.024 15.159 5.056 409 HB2 GLU 870 HB2 GLU 60 10.629 13.259 3.537 410 HB3 GLU 870 HB3 GLU 60 8.957 13.161 3.071 411 HG2 GLU 870 HG2 GLU 60 9.928 14.297 1.382 412 HG3 GLU 870 HG3 GLU 60 9.177 15.608 2.288 413 HA PRO 871 HA PRO 61 5.697 16.566 5.191 414 HB2 PRO 871 HB2 PRO 61 6.112 19.260 5.233 415 HB3 PRO 871 HB3 PRO 61 6.326 18.225 6.663 416 HG2 PRO 871 HG2 PRO 61 8.438 19.303 4.796 417 HG3 PRO 871 HG3 PRO 61 8.495 19.172 6.576 418 HD2 PRO 871 HD2 PRO 61 9.648 17.360 4.803 419 HD3 PRO 871 HD3 PRO 61 9.155 16.931 6.460 420 H ILE 872 H ILE 62 4.314 16.982 3.429 421 HA ILE 872 HA ILE 62 5.517 18.207 0.974 422 HB ILE 872 HB ILE 62 3.416 16.102 0.806 423 HG12 ILE 872 HG12 ILE 62 5.261 14.971 2.080 424 HG13 ILE 872 HG13 ILE 62 4.818 14.257 0.559 425 HG21 ILE 872 HG21 ILE 62 4.341 15.799 -1.467 426 HG22 ILE 872 HG22 ILE 62 5.580 17.029 -1.128 427 HG23 ILE 872 HG23 ILE 62 3.873 17.474 -1.167 428 HD11 ILE 872 HD11 ILE 62 7.197 16.123 0.854 429 HD12 ILE 872 HD12 ILE 62 6.798 15.095 -0.537 430 HD13 ILE 872 HD13 ILE 62 7.286 14.347 1.000 431 H TYR 873 H TYR 63 4.496 19.944 0.363 432 HA TYR 873 HA TYR 63 1.914 20.604 1.590 433 HB2 TYR 873 HB2 TYR 63 4.126 22.300 0.399 434 HB3 TYR 873 HB3 TYR 63 2.594 22.931 0.977 435 HD1 TYR 873 HD1 TYR 63 1.960 22.836 3.370 436 HD2 TYR 873 HD2 TYR 63 5.857 21.562 2.013 437 HE1 TYR 873 HE1 TYR 63 2.801 22.945 5.701 438 HE2 TYR 873 HE2 TYR 63 6.697 21.659 4.355 439 HH TYR 873 HH TYR 63 4.634 22.717 7.094 440 H ARG 874 H ARG 64 2.387 18.919 -0.852 441 HA ARG 874 HA ARG 64 0.204 19.912 -2.483 442 HB2 ARG 874 HB2 ARG 64 1.468 19.888 -4.616 443 HB3 ARG 874 HB3 ARG 64 1.965 21.182 -3.534 444 HG2 ARG 874 HG2 ARG 64 3.996 19.979 -2.901 445 HG3 ARG 874 HG3 ARG 64 3.470 18.545 -3.802 446 HD2 ARG 874 HD2 ARG 64 3.532 19.847 -5.901 447 HD3 ARG 874 HD3 ARG 64 4.042 21.285 -4.989 448 HE ARG 874 HE ARG 64 5.849 19.135 -4.447 449 HH11 ARG 874 HH11 ARG 64 7.869 19.042 -5.357 450 HH12 ARG 874 HH12 ARG 64 8.215 19.926 -6.813 451 HH21 ARG 874 HH21 ARG 64 5.079 21.276 -7.115 452 HH22 ARG 874 HH22 ARG 64 6.686 21.170 -7.782 453 H1 ALA 1 H1 ALA 65 0.877 4.529 5.703 454 H2 ALA 1 H2 ALA 65 -0.404 5.229 4.942 455 H3 ALA 1 H3 ALA 65 1.116 5.551 4.427 456 HA ALA 1 HA ALA 65 1.447 3.300 3.777 457 HB1 ALA 1 HB1 ALA 65 0.010 2.067 5.223 458 HB2 ALA 1 HB2 ALA 65 -0.630 1.850 3.602 459 HB3 ALA 1 HB3 ALA 65 -1.430 2.999 4.707 460 H ARG 2 H ARG 66 1.732 3.581 1.758 461 HA ARG 2 HA ARG 66 0.193 4.996 -0.105 462 HB2 ARG 2 HB2 ARG 66 1.516 4.008 -1.784 463 HB3 ARG 2 HB3 ARG 66 2.533 4.211 -0.380 464 HG2 ARG 2 HG2 ARG 66 1.412 1.628 -1.534 465 HG3 ARG 2 HG3 ARG 66 3.089 2.120 -1.423 466 HD2 ARG 2 HD2 ARG 66 3.049 1.872 1.020 467 HD3 ARG 2 HD3 ARG 66 1.348 1.437 1.001 468 HE ARG 2 HE ARG 66 3.584 -0.292 0.420 469 HH11 ARG 2 HH11 ARG 66 0.120 0.078 -0.222 470 HH12 ARG 2 HH12 ARG 66 -0.069 -1.641 -0.441 471 HH21 ARG 2 HH21 ARG 66 3.250 -2.374 0.215 472 HH22 ARG 2 HH22 ARG 66 1.678 -3.027 -0.214 473 H THR 3 H THR 67 -1.694 4.759 -0.892 474 HA THR 3 HA THR 67 -2.804 2.110 -1.714 475 HB THR 3 HB THR 67 -5.066 3.050 -1.317 476 HG1 THR 3 HG1 THR 67 -5.265 4.951 -0.153 477 HG21 THR 3 HG21 THR 67 -3.942 1.679 0.466 478 HG22 THR 3 HG22 THR 67 -5.107 2.857 1.097 479 HG23 THR 3 HG23 THR 67 -3.371 3.192 1.217 480 HH31 ALY 4 H26 ALY 68 2.170 13.046 -6.183 481 HH32 ALY 4 H27 ALY 68 3.707 12.231 -5.802 482 HH33 ALY 4 H28 ALY 68 2.421 12.311 -4.580 483 HZ ALY 4 HZ1 ALY 68 0.239 11.504 -5.553 484 HE3 ALY 4 HE3 ALY 68 -1.025 9.865 -6.636 485 HE2 ALY 4 HE2 ALY 68 0.445 9.138 -7.302 486 HD3 ALY 4 HD3 ALY 68 1.007 8.188 -5.103 487 HD2 ALY 4 HD2 ALY 68 -0.417 8.970 -4.383 488 HG3 ALY 4 HG3 ALY 68 -1.915 7.654 -5.766 489 HG2 ALY 4 HG2 ALY 68 -0.539 6.898 -6.605 490 HB3 ALY 4 HB3 ALY 68 0.192 5.797 -4.562 491 HB2 ALY 4 HB2 ALY 68 -0.932 6.720 -3.583 492 HCA ALY 4 HA ALY 68 -2.833 5.654 -4.913 493 H ALY 4 H ALY 68 -1.100 4.300 -2.992 494 H GLN 5 H GLN 69 -3.599 4.083 -6.334 495 HA GLN 5 HA GLN 69 -1.997 2.097 -7.638 496 HB2 GLN 5 HB2 GLN 69 -4.654 3.339 -8.443 497 HB3 GLN 5 HB3 GLN 69 -3.915 1.922 -9.207 498 HG2 GLN 5 HG2 GLN 69 -3.949 0.722 -7.023 499 HG3 GLN 5 HG3 GLN 69 -4.784 2.094 -6.287 500 HE21 GLN 5 HE21 GLN 69 -6.133 -0.167 -5.973 501 HE22 GLN 5 HE22 GLN 69 -7.460 -0.287 -7.124 502 H THR 6 H THR 70 -1.046 1.997 -9.656 503 HA THR 6 HA THR 70 -0.050 4.485 -10.785 504 HB THR 6 HB THR 70 1.287 2.384 -10.595 505 HG1 THR 6 HG1 THR 70 2.103 3.913 -11.920 506 HG21 THR 6 HG21 THR 70 1.149 0.686 -12.317 507 HG22 THR 6 HG22 THR 70 -0.223 1.495 -13.094 508 HG23 THR 6 HG23 THR 70 -0.417 0.759 -11.485 509 H ALA 7 H ALA 71 -0.210 5.146 -13.036 510 HA ALA 7 HA ALA 71 -2.934 5.172 -14.023 511 HB1 ALA 7 HB1 ALA 71 -0.343 6.198 -15.254 512 HB2 ALA 7 HB2 ALA 71 -1.437 7.121 -14.197 513 HB3 ALA 7 HB3 ALA 71 -1.989 6.594 -15.799 514 H ARG 8 H ARG 72 -3.731 4.378 -15.976 515 HA ARG 8 HA ARG 72 -2.234 2.322 -17.507 516 HB2 ARG 8 HB2 ARG 72 -4.924 1.835 -16.158 517 HB3 ARG 8 HB3 ARG 72 -4.212 0.808 -17.403 518 HG2 ARG 8 HG2 ARG 72 -2.231 0.402 -15.892 519 HG3 ARG 8 HG3 ARG 72 -3.043 1.348 -14.638 520 HD2 ARG 8 HD2 ARG 72 -3.443 -0.960 -14.164 521 HD3 ARG 8 HD3 ARG 72 -4.964 -0.245 -14.723 522 HE ARG 8 HE ARG 72 -3.505 -1.426 -16.919 523 HH11 ARG 8 HH11 ARG 72 -5.484 -2.418 -14.198 524 HH12 ARG 8 HH12 ARG 72 -5.956 -3.904 -14.979 525 HH21 ARG 8 HH21 ARG 72 -4.169 -3.315 -17.856 526 HH22 ARG 8 HH22 ARG 72 -5.225 -4.395 -16.996 Start of MODEL 4 1 H1 GLY 811 H1 GLY 1 -2.629 31.504 1.066 2 H2 GLY 811 H2 GLY 1 -2.745 30.528 2.378 3 H3 GLY 811 H3 GLY 1 -3.859 30.434 1.180 4 HA2 GLY 811 HA2 GLY 1 -2.228 29.623 -0.392 5 HA3 GLY 811 HA3 GLY 1 -0.991 29.748 0.871 6 HA PRO 812 HA PRO 2 -3.451 25.671 0.827 7 HB2 PRO 812 HB2 PRO 2 -2.000 23.963 -0.726 8 HB3 PRO 812 HB3 PRO 2 -3.085 25.202 -1.420 9 HG2 PRO 812 HG2 PRO 2 -0.089 25.424 -0.954 10 HG3 PRO 812 HG3 PRO 2 -0.988 25.717 -2.481 11 HD2 PRO 812 HD2 PRO 2 -0.335 27.762 -0.813 12 HD3 PRO 812 HD3 PRO 2 -1.909 27.728 -1.662 13 H LEU 813 H LEU 3 -0.305 26.442 1.814 14 HA LEU 813 HA LEU 3 0.921 24.074 2.530 15 HB2 LEU 813 HB2 LEU 3 1.965 26.255 2.461 16 HB3 LEU 813 HB3 LEU 3 1.042 26.827 3.840 17 HG LEU 813 HG LEU 3 2.766 24.397 4.269 18 HD11 LEU 813 HD11 LEU 3 4.765 25.794 4.631 19 HD12 LEU 813 HD12 LEU 3 3.891 27.207 3.991 20 HD13 LEU 813 HD13 LEU 3 4.244 25.817 2.940 21 HD21 LEU 813 HD21 LEU 3 2.324 26.941 5.914 22 HD22 LEU 813 HD22 LEU 3 3.205 25.492 6.437 23 HD23 LEU 813 HD23 LEU 3 1.461 25.416 6.166 24 H GLY 814 H GLY 4 -1.627 25.645 4.387 25 HA2 GLY 814 HA2 GLY 4 -1.311 23.836 6.712 26 HA3 GLY 814 HA3 GLY 4 -2.451 25.162 6.542 27 H SER 815 H SER 5 -2.788 23.366 3.732 28 HA SER 815 HA SER 5 -4.903 21.601 4.790 29 HB2 SER 815 HB2 SER 5 -5.400 23.782 2.733 30 HB3 SER 815 HB3 SER 5 -6.599 22.639 3.345 31 HG SER 815 HG SER 5 -6.448 23.603 5.388 32 H VAL 816 H VAL 6 -2.289 21.170 3.197 33 HA VAL 816 HA VAL 6 -2.825 20.531 0.516 34 HB VAL 816 HB VAL 6 -0.874 19.287 2.501 35 HG11 VAL 816 HG11 VAL 6 -0.748 19.407 -0.488 36 HG12 VAL 816 HG12 VAL 6 -0.922 17.964 0.567 37 HG13 VAL 816 HG13 VAL 6 0.575 18.900 0.610 38 HG21 VAL 816 HG21 VAL 6 -0.385 21.637 0.620 39 HG22 VAL 816 HG22 VAL 6 0.728 20.919 1.820 40 HG23 VAL 816 HG23 VAL 6 -0.661 21.795 2.374 41 H GLN 817 H GLN 7 -3.910 18.978 -0.462 42 HA GLN 817 HA GLN 7 -4.844 16.644 1.110 43 HB2 GLN 817 HB2 GLN 7 -6.372 16.319 -0.765 44 HB3 GLN 817 HB3 GLN 7 -6.546 17.900 -0.007 45 HG2 GLN 817 HG2 GLN 7 -6.354 18.915 -1.960 46 HG3 GLN 817 HG3 GLN 7 -4.725 18.342 -2.137 47 HE21 GLN 817 HE21 GLN 7 -7.997 16.673 -2.490 48 HE22 GLN 817 HE22 GLN 7 -7.602 16.107 -4.098 49 H HIS 818 H HIS 8 -3.930 14.683 0.938 50 HA HIS 818 HA HIS 8 -2.547 13.998 -1.626 51 HB2 HIS 818 HB2 HIS 8 -1.693 13.603 1.187 52 HB3 HIS 818 HB3 HIS 8 -1.380 12.301 0.037 53 HD2 HIS 818 HD2 HIS 8 0.064 15.537 1.085 54 HE1 HIS 818 HE1 HIS 8 1.477 15.070 -2.913 55 HE2 HIS 818 HE2 HIS 8 1.691 16.456 -0.823 56 H VAL 819 H VAL 9 -4.595 13.559 -2.394 57 HA VAL 819 HA VAL 9 -6.024 11.127 -1.862 58 HB VAL 819 HB VAL 9 -5.731 12.743 -4.402 59 HG11 VAL 819 HG11 VAL 9 -6.552 10.460 -4.894 60 HG12 VAL 819 HG12 VAL 9 -7.858 11.654 -5.024 61 HG13 VAL 819 HG13 VAL 9 -7.756 10.611 -3.590 62 HG21 VAL 819 HG21 VAL 9 -7.843 12.675 -2.188 63 HG22 VAL 819 HG22 VAL 9 -7.970 13.598 -3.701 64 HG23 VAL 819 HG23 VAL 9 -6.734 14.016 -2.517 65 H GLY 820 H GLY 10 -4.991 9.274 -1.653 66 HA2 GLY 820 HA2 GLY 10 -3.866 7.419 -2.923 67 HA3 GLY 820 HA3 GLY 10 -2.678 8.601 -3.432 68 H PHE 821 H PHE 11 -3.106 9.579 -0.309 69 HA PHE 821 HA PHE 11 -1.390 7.411 0.890 70 HB2 PHE 821 HB2 PHE 11 -0.950 10.353 1.383 71 HB3 PHE 821 HB3 PHE 11 0.040 9.021 1.938 72 HD1 PHE 821 HD1 PHE 11 0.521 7.525 -0.672 73 HD2 PHE 821 HD2 PHE 11 0.647 11.688 0.384 74 HE1 PHE 821 HE1 PHE 11 1.931 7.990 -2.655 75 HE2 PHE 821 HE2 PHE 11 1.970 12.167 -1.644 76 HZ PHE 821 HZ PHE 11 2.596 10.364 -3.172 77 H LYS 822 H LYS 12 -3.068 6.507 2.063 78 HA LYS 822 HA LYS 12 -4.617 8.196 4.010 79 HB2 LYS 822 HB2 LYS 12 -5.978 6.613 2.909 80 HB3 LYS 822 HB3 LYS 12 -4.803 5.386 2.954 81 HG2 LYS 822 HG2 LYS 12 -5.542 5.888 5.734 82 HG3 LYS 822 HG3 LYS 12 -6.981 6.046 4.803 83 HD2 LYS 822 HD2 LYS 12 -6.951 3.854 5.557 84 HD3 LYS 822 HD3 LYS 12 -6.637 3.784 3.817 85 HE2 LYS 822 HE2 LYS 12 -4.218 3.471 4.268 86 HE3 LYS 822 HE3 LYS 12 -4.497 3.649 6.009 87 HZ1 LYS 822 HZ1 LYS 12 -5.624 1.448 4.327 88 HZ2 LYS 822 HZ2 LYS 12 -5.889 1.626 5.929 89 HZ3 LYS 822 HZ3 LYS 12 -4.392 1.284 5.387 90 H CYS 823 H CYS 13 -4.210 8.128 6.220 91 HA CYS 823 HA CYS 13 -1.527 7.698 7.048 92 HB2 CYS 823 HB2 CYS 13 -3.069 9.400 7.936 93 HB3 CYS 823 HB3 CYS 13 -4.093 8.112 8.556 94 H ASP 824 H ASP 14 -0.644 6.339 8.467 95 HA ASP 824 HA ASP 14 -1.820 3.608 8.819 96 HB2 ASP 824 HB2 ASP 14 1.002 4.675 9.174 97 HB3 ASP 824 HB3 ASP 14 0.506 3.005 9.396 98 H ASN 825 H ASN 15 -0.751 6.372 10.724 99 HA ASN 825 HA ASN 15 -0.834 5.038 13.308 100 HB2 ASN 825 HB2 ASN 15 0.225 7.246 13.066 101 HB3 ASN 825 HB3 ASN 15 -1.364 7.954 12.645 102 HD21 ASN 825 HD21 ASN 15 -1.418 9.385 14.394 103 HD22 ASN 825 HD22 ASN 15 -1.540 8.811 16.068 104 H CYS 826 H CYS 16 -3.340 7.158 11.771 105 HA CYS 826 HA CYS 16 -5.312 6.022 13.664 106 HB2 CYS 826 HB2 CYS 16 -6.285 8.110 13.805 107 HB3 CYS 826 HB3 CYS 16 -4.560 8.445 13.834 108 H GLY 827 H GLY 17 -4.610 5.997 10.328 109 HA2 GLY 827 HA2 GLY 17 -5.566 4.586 8.796 110 HA3 GLY 827 HA3 GLY 17 -6.952 4.352 9.829 111 H ILE 828 H ILE 18 -6.328 7.689 9.540 112 HA ILE 828 HA ILE 18 -8.701 8.171 8.152 113 HB ILE 828 HB ILE 18 -7.772 9.750 9.718 114 HG12 ILE 828 HG12 ILE 18 -7.860 11.075 6.984 115 HG13 ILE 828 HG13 ILE 18 -9.290 10.464 7.761 116 HG21 ILE 828 HG21 ILE 18 -5.595 10.334 7.638 117 HG22 ILE 828 HG22 ILE 18 -5.342 9.515 9.175 118 HG23 ILE 828 HG23 ILE 18 -5.881 11.173 9.177 119 HD11 ILE 828 HD11 ILE 18 -8.866 11.963 9.719 120 HD12 ILE 828 HD12 ILE 18 -9.153 12.820 8.194 121 HD13 ILE 828 HD13 ILE 18 -7.504 12.685 8.830 122 H GLU 829 H GLU 19 -9.203 8.693 6.177 123 HA GLU 829 HA GLU 19 -7.831 7.720 3.914 124 HB2 GLU 829 HB2 GLU 19 -9.442 9.493 2.813 125 HB3 GLU 829 HB3 GLU 19 -9.987 7.917 3.268 126 HG2 GLU 829 HG2 GLU 19 -10.253 10.362 5.089 127 HG3 GLU 829 HG3 GLU 19 -11.441 9.981 3.854 128 HA PRO 830 HA PRO 20 -4.948 10.201 1.828 129 HB2 PRO 830 HB2 PRO 20 -7.466 11.708 1.118 130 HB3 PRO 830 HB3 PRO 20 -6.035 11.330 0.124 131 HG2 PRO 830 HG2 PRO 20 -8.400 9.838 0.391 132 HG3 PRO 830 HG3 PRO 20 -6.917 9.293 -0.456 133 HD2 PRO 830 HD2 PRO 20 -7.815 8.093 1.831 134 HD3 PRO 830 HD3 PRO 20 -6.099 8.177 1.369 135 H ILE 831 H ILE 21 -3.751 11.030 3.428 136 HA ILE 831 HA ILE 21 -4.426 12.681 5.497 137 HB ILE 831 HB ILE 21 -1.792 12.414 4.028 138 HG12 ILE 831 HG12 ILE 21 -2.511 11.217 6.729 139 HG13 ILE 831 HG13 ILE 21 -3.019 10.407 5.272 140 HG21 ILE 831 HG21 ILE 21 -0.707 13.246 6.163 141 HG22 ILE 831 HG22 ILE 21 -2.311 13.736 6.725 142 HG23 ILE 831 HG23 ILE 21 -1.589 14.489 5.289 143 HD11 ILE 831 HD11 ILE 21 -0.128 11.106 5.874 144 HD12 ILE 831 HD12 ILE 21 -0.747 10.263 4.437 145 HD13 ILE 831 HD13 ILE 21 -0.883 9.516 6.043 146 H GLN 832 H GLN 22 -4.554 14.725 6.057 147 HA GLN 832 HA GLN 22 -4.564 16.748 3.871 148 HB2 GLN 832 HB2 GLN 22 -6.256 16.685 6.379 149 HB3 GLN 832 HB3 GLN 22 -6.312 17.893 5.093 150 HG2 GLN 832 HG2 GLN 22 -6.984 14.947 4.682 151 HG3 GLN 832 HG3 GLN 22 -8.158 16.194 5.041 152 HE21 GLN 832 HE21 GLN 22 -7.055 14.461 2.487 153 HE22 GLN 832 HE22 GLN 22 -7.489 15.631 1.236 154 H GLY 833 H GLY 23 -3.446 18.574 4.117 155 HA2 GLY 833 HA2 GLY 23 -2.736 20.480 5.536 156 HA3 GLY 833 HA3 GLY 23 -2.318 19.353 6.778 157 H VAL 834 H VAL 24 -0.718 17.646 6.116 158 HA VAL 834 HA VAL 24 1.277 18.320 4.109 159 HB VAL 834 HB VAL 24 1.768 19.657 6.155 160 HG11 VAL 834 HG11 VAL 24 2.501 18.682 8.200 161 HG12 VAL 834 HG12 VAL 24 2.334 17.041 7.529 162 HG13 VAL 834 HG13 VAL 24 0.884 18.060 7.811 163 HG21 VAL 834 HG21 VAL 24 4.150 18.933 6.505 164 HG22 VAL 834 HG22 VAL 24 3.713 19.081 4.810 165 HG23 VAL 834 HG23 VAL 24 3.815 17.468 5.566 166 H ARG 835 H ARG 25 2.220 16.395 3.352 167 HA ARG 835 HA ARG 25 1.321 13.824 4.589 168 HB2 ARG 835 HB2 ARG 25 1.459 14.006 2.113 169 HB3 ARG 835 HB3 ARG 25 3.170 14.393 2.236 170 HG2 ARG 835 HG2 ARG 25 3.257 12.000 3.490 171 HG3 ARG 835 HG3 ARG 25 1.741 11.764 2.624 172 HD2 ARG 835 HD2 ARG 25 3.006 12.410 0.496 173 HD3 ARG 835 HD3 ARG 25 4.485 12.430 1.473 174 HE ARG 835 HE ARG 25 3.174 9.928 1.914 175 HH11 ARG 835 HH11 ARG 25 4.944 11.394 -0.763 176 HH12 ARG 835 HH12 ARG 25 5.431 9.828 -1.342 177 HH21 ARG 835 HH21 ARG 25 3.746 8.152 1.178 178 HH22 ARG 835 HH22 ARG 25 4.766 7.963 -0.251 179 H TRP 836 H TRP 26 2.559 12.748 6.114 180 HA TRP 836 HA TRP 26 5.452 13.479 6.322 181 HB2 TRP 836 HB2 TRP 26 3.677 12.145 8.389 182 HB3 TRP 836 HB3 TRP 26 5.392 12.228 8.445 183 HD1 TRP 836 HD1 TRP 26 2.475 14.649 8.784 184 HE1 TRP 836 HE1 TRP 26 3.396 16.829 9.885 185 HE3 TRP 836 HE3 TRP 26 7.457 13.831 8.231 186 HZ2 TRP 836 HZ2 TRP 26 5.931 17.800 10.801 187 HZ3 TRP 836 HZ3 TRP 26 9.123 15.268 9.366 188 HH2 TRP 836 HH2 TRP 26 8.380 17.226 10.690 189 H HIS 837 H HIS 27 6.397 12.369 4.821 190 HA HIS 837 HA HIS 27 5.731 9.518 4.234 191 HB2 HIS 837 HB2 HIS 27 6.062 10.955 2.311 192 HB3 HIS 837 HB3 HIS 27 7.597 11.547 2.949 193 HD2 HIS 837 HD2 HIS 27 9.657 10.433 1.892 194 HE1 HIS 837 HE1 HIS 27 8.017 6.629 0.848 195 HE2 HIS 837 HE2 HIS 27 10.106 8.091 0.764 196 H CYS 838 H CYS 28 6.739 7.942 5.322 197 HA CYS 838 HA CYS 28 8.887 8.334 7.131 198 HB2 CYS 838 HB2 CYS 28 7.415 6.094 5.866 199 HB3 CYS 838 HB3 CYS 28 9.041 5.732 6.495 200 H GLN 839 H GLN 29 11.065 8.450 6.929 201 HA GLN 839 HA GLN 29 12.165 8.579 4.241 202 HB2 GLN 839 HB2 GLN 29 13.473 8.962 6.960 203 HB3 GLN 839 HB3 GLN 29 14.247 9.250 5.413 204 HG2 GLN 839 HG2 GLN 29 12.097 10.778 4.968 205 HG3 GLN 839 HG3 GLN 29 12.008 10.803 6.719 206 HE21 GLN 839 HE21 GLN 29 12.536 13.063 6.988 207 HE22 GLN 839 HE22 GLN 29 14.026 13.730 6.356 208 H ASP 840 H ASP 30 12.445 6.308 6.968 209 HA ASP 840 HA ASP 30 14.680 4.889 5.578 210 HB2 ASP 840 HB2 ASP 30 14.967 5.687 7.888 211 HB3 ASP 840 HB3 ASP 30 13.627 4.668 8.397 212 H CYS 841 H CYS 31 11.338 4.375 6.651 213 HA CYS 841 HA CYS 31 11.261 1.577 6.208 214 HB2 CYS 841 HB2 CYS 31 8.983 3.577 6.060 215 HB3 CYS 841 HB3 CYS 31 8.849 1.837 6.165 216 HA PRO 842 HA PRO 32 12.137 1.506 1.969 217 HB2 PRO 842 HB2 PRO 32 11.332 -0.975 1.144 218 HB3 PRO 842 HB3 PRO 32 12.638 -0.720 2.340 219 HG2 PRO 842 HG2 PRO 32 9.710 -1.324 2.870 220 HG3 PRO 842 HG3 PRO 32 11.142 -2.136 3.569 221 HD2 PRO 842 HD2 PRO 32 9.829 -0.132 4.888 222 HD3 PRO 842 HD3 PRO 32 11.589 -0.337 5.004 223 HA PRO 843 HA PRO 33 8.970 2.933 -0.733 224 HB2 PRO 843 HB2 PRO 33 10.032 1.012 -2.822 225 HB3 PRO 843 HB3 PRO 33 9.601 2.742 -2.997 226 HG2 PRO 843 HG2 PRO 33 12.183 2.046 -2.716 227 HG3 PRO 843 HG3 PRO 33 11.541 3.421 -1.758 228 HD2 PRO 843 HD2 PRO 33 11.997 0.563 -0.869 229 HD3 PRO 843 HD3 PRO 33 12.403 2.096 -0.035 230 H GLU 844 H GLU 34 9.305 -0.624 -0.816 231 HA GLU 844 HA GLU 34 6.737 -1.375 -1.722 232 HB2 GLU 844 HB2 GLU 34 8.673 -2.860 -1.464 233 HB3 GLU 844 HB3 GLU 34 8.609 -2.693 0.298 234 HG2 GLU 844 HG2 GLU 34 6.507 -3.885 0.410 235 HG3 GLU 844 HG3 GLU 34 6.301 -3.802 -1.343 236 H MET 845 H MET 35 7.744 -0.198 1.409 237 HA MET 845 HA MET 35 4.997 -0.334 2.532 238 HB2 MET 845 HB2 MET 35 7.635 -0.935 3.906 239 HB3 MET 845 HB3 MET 35 6.201 -0.458 4.813 240 HG2 MET 845 HG2 MET 35 6.293 -2.828 2.935 241 HG3 MET 845 HG3 MET 35 6.562 -2.924 4.669 242 HE1 MET 845 HE1 MET 35 4.387 -1.078 6.073 243 HE2 MET 845 HE2 MET 35 4.804 -2.749 6.520 244 HE3 MET 845 HE3 MET 35 3.109 -2.283 6.278 245 H SER 846 H SER 36 5.679 1.693 0.921 246 HA SER 846 HA SER 36 6.698 3.982 2.307 247 HB2 SER 846 HB2 SER 36 4.616 3.830 0.092 248 HB3 SER 846 HB3 SER 36 5.319 5.326 0.731 249 HG SER 846 HG SER 36 6.631 3.226 -0.654 250 H LEU 847 H LEU 37 6.062 4.184 4.287 251 HA LEU 847 HA LEU 37 3.288 4.094 5.242 252 HB2 LEU 847 HB2 LEU 37 6.063 4.180 6.442 253 HB3 LEU 847 HB3 LEU 37 4.715 4.650 7.411 254 HG LEU 847 HG LEU 37 4.449 2.021 5.866 255 HD11 LEU 847 HD11 LEU 37 6.593 2.436 7.870 256 HD12 LEU 847 HD12 LEU 37 6.654 1.724 6.276 257 HD13 LEU 847 HD13 LEU 37 5.859 0.814 7.535 258 HD21 LEU 847 HD21 LEU 37 2.697 2.160 7.271 259 HD22 LEU 847 HD22 LEU 37 3.568 3.009 8.550 260 HD23 LEU 847 HD23 LEU 37 3.791 1.244 8.274 261 H ASP 848 H ASP 38 2.300 5.824 6.496 262 HA ASP 848 HA ASP 38 3.229 8.532 5.808 263 HB2 ASP 848 HB2 ASP 38 0.492 7.568 4.964 264 HB3 ASP 848 HB3 ASP 38 1.233 9.138 4.689 265 H PHE 849 H PHE 39 2.467 10.099 7.147 266 HA PHE 849 HA PHE 39 0.260 9.460 9.029 267 HB2 PHE 849 HB2 PHE 39 2.900 10.643 9.994 268 HB3 PHE 849 HB3 PHE 39 1.505 10.200 10.913 269 HD1 PHE 849 HD1 PHE 39 4.567 8.842 9.262 270 HD2 PHE 849 HD2 PHE 39 0.824 7.854 11.141 271 HE1 PHE 849 HE1 PHE 39 5.450 6.703 9.876 272 HE2 PHE 849 HE2 PHE 39 1.721 5.597 11.744 273 HZ PHE 849 HZ PHE 39 4.047 4.982 11.154 274 H CYS 850 H CYS 40 -0.931 11.160 9.851 275 HA CYS 850 HA CYS 40 -1.026 13.642 8.505 276 HB2 CYS 850 HB2 CYS 40 -2.073 12.901 11.265 277 HB3 CYS 850 HB3 CYS 40 -2.701 14.171 10.221 278 H ASP 851 H ASP 41 -1.075 15.748 9.756 279 HA ASP 851 HA ASP 41 1.499 16.578 10.503 280 HB2 ASP 851 HB2 ASP 41 0.552 18.674 10.893 281 HB3 ASP 851 HB3 ASP 41 -0.398 17.973 9.602 282 H SER 852 H SER 42 -1.100 15.391 12.551 283 HA SER 852 HA SER 42 0.368 15.882 15.044 284 HB2 SER 852 HB2 SER 42 -2.085 16.216 14.939 285 HB3 SER 852 HB3 SER 42 -2.281 14.504 14.519 286 HG SER 852 HG SER 42 -1.371 15.631 16.980 287 H CYS 853 H CYS 43 -0.546 13.125 12.955 288 HA CYS 853 HA CYS 43 0.072 11.060 14.803 289 HB2 CYS 853 HB2 CYS 43 -0.326 11.225 11.817 290 HB3 CYS 853 HB3 CYS 43 -0.159 9.725 12.703 291 H SER 854 H SER 44 1.943 12.791 12.404 292 HA SER 854 HA SER 44 4.173 11.022 12.075 293 HB2 SER 854 HB2 SER 44 5.264 13.022 11.242 294 HB3 SER 854 HB3 SER 44 3.574 13.018 10.737 295 HG SER 854 HG SER 44 4.135 15.061 11.558 296 H ASP 855 H ASP 45 3.202 13.038 14.749 297 HA ASP 855 HA ASP 45 5.794 12.879 16.105 298 HB2 ASP 855 HB2 ASP 45 4.274 14.932 16.154 299 HB3 ASP 855 HB3 ASP 45 3.190 13.996 17.183 300 H CYS 856 H CYS 46 3.221 10.764 15.656 301 HA CYS 856 HA CYS 46 2.952 9.749 18.344 302 HB2 CYS 856 HB2 CYS 46 1.245 9.642 16.383 303 HB3 CYS 856 HB3 CYS 46 2.226 8.316 15.752 304 HG CYS 856 HG CYS 46 0.227 7.179 16.915 305 H LEU 857 H LEU 47 5.214 9.209 15.837 306 HA LEU 857 HA LEU 47 7.034 7.928 15.591 307 HB2 LEU 857 HB2 LEU 47 7.510 9.324 17.573 308 HB3 LEU 857 HB3 LEU 47 7.047 8.011 18.633 309 HG LEU 857 HG LEU 47 8.900 6.649 18.004 310 HD11 LEU 857 HD11 LEU 47 10.555 7.464 16.230 311 HD12 LEU 857 HD12 LEU 47 9.316 8.607 15.713 312 HD13 LEU 857 HD13 LEU 47 9.002 6.846 15.631 313 HD21 LEU 857 HD21 LEU 47 9.422 8.516 19.526 314 HD22 LEU 857 HD22 LEU 47 9.880 9.527 18.134 315 HD23 LEU 857 HD23 LEU 47 10.816 8.065 18.536 316 H HIS 858 H HIS 48 5.611 6.336 14.679 317 HA HIS 858 HA HIS 48 4.873 4.055 16.347 318 HB2 HIS 858 HB2 HIS 48 3.174 5.257 14.966 319 HB3 HIS 858 HB3 HIS 48 4.074 4.810 13.517 320 HD2 HIS 858 HD2 HIS 48 3.293 2.637 12.365 321 HE1 HIS 858 HE1 HIS 48 1.230 0.781 15.609 322 HE2 HIS 858 HE2 HIS 48 1.777 0.606 13.133 323 H GLU 859 H GLU 49 4.951 1.887 15.600 324 HA GLU 859 HA GLU 49 7.186 1.216 13.827 325 HB2 GLU 859 HB2 GLU 49 7.095 -0.081 16.558 326 HB3 GLU 859 HB3 GLU 49 8.361 -0.079 15.393 327 HG2 GLU 859 HG2 GLU 49 8.669 2.409 15.796 328 HG3 GLU 859 HG3 GLU 49 7.470 2.294 17.064 329 H THR 860 H THR 50 7.050 -0.755 12.867 330 HA THR 860 HA THR 50 4.839 -2.633 13.621 331 HB THR 860 HB THR 50 4.219 -3.066 11.414 332 HG1 THR 860 HG1 THR 50 5.281 -2.249 9.633 333 HG21 THR 860 HG21 THR 50 3.121 -1.043 12.125 334 HG22 THR 860 HG22 THR 50 3.544 -0.879 10.415 335 HG23 THR 860 HG23 THR 50 4.478 -0.017 11.660 336 H ASP 861 H ASP 51 5.870 -4.378 11.331 337 HA ASP 861 HA ASP 51 8.064 -5.724 12.699 338 HB2 ASP 861 HB2 ASP 51 6.703 -6.234 10.089 339 HB3 ASP 861 HB3 ASP 51 7.934 -7.263 10.786 340 H ILE 862 H ILE 52 7.577 -3.543 10.014 341 HA ILE 862 HA ILE 52 10.460 -3.536 9.370 342 HB ILE 862 HB ILE 52 8.082 -2.702 7.717 343 HG12 ILE 862 HG12 ILE 52 10.183 -4.932 7.641 344 HG13 ILE 862 HG13 ILE 52 8.446 -5.129 7.888 345 HG21 ILE 862 HG21 ILE 52 9.842 -2.196 5.993 346 HG22 ILE 862 HG22 ILE 52 11.073 -2.374 7.276 347 HG23 ILE 862 HG23 ILE 52 9.858 -1.081 7.357 348 HD11 ILE 862 HD11 ILE 52 8.941 -5.813 5.681 349 HD12 ILE 862 HD12 ILE 52 9.851 -4.325 5.346 350 HD13 ILE 862 HD13 ILE 52 8.073 -4.260 5.585 351 H HIS 863 H HIS 53 7.644 -1.510 10.185 352 HA HIS 863 HA HIS 53 9.134 0.953 10.066 353 HB2 HIS 863 HB2 HIS 53 7.114 1.190 9.432 354 HB3 HIS 863 HB3 HIS 53 6.278 0.138 10.367 355 HD1 HIS 863 HD1 HIS 53 4.630 2.249 10.199 356 HD2 HIS 863 HD2 HIS 53 8.318 2.969 11.950 357 HE1 HIS 863 HE1 HIS 53 5.544 4.362 9.177 358 H LYS 864 H LYS 54 10.251 1.979 11.606 359 HA LYS 864 HA LYS 54 9.990 1.131 14.435 360 HB2 LYS 864 HB2 LYS 54 12.651 1.205 12.973 361 HB3 LYS 864 HB3 LYS 54 12.375 0.898 14.658 362 HG2 LYS 864 HG2 LYS 54 11.362 -0.914 12.380 363 HG3 LYS 864 HG3 LYS 54 12.796 -1.195 13.305 364 HD2 LYS 864 HD2 LYS 54 11.581 -1.701 15.312 365 HD3 LYS 864 HD3 LYS 54 10.113 -1.090 14.678 366 HE2 LYS 864 HE2 LYS 54 9.918 -3.420 14.497 367 HE3 LYS 864 HE3 LYS 54 10.136 -2.817 12.866 368 HZ1 LYS 864 HZ1 LYS 54 12.516 -3.511 13.029 369 HZ2 LYS 864 HZ2 LYS 54 11.519 -4.780 13.272 370 HZ3 LYS 864 HZ3 LYS 54 12.261 -4.081 14.549 371 H GLU 865 H GLU 55 10.963 2.556 15.978 372 HA GLU 865 HA GLU 55 10.837 5.331 15.258 373 HB2 GLU 865 HB2 GLU 55 11.164 5.737 17.602 374 HB3 GLU 865 HB3 GLU 55 10.064 4.386 17.414 375 HG2 GLU 865 HG2 GLU 55 12.091 2.867 17.850 376 HG3 GLU 865 HG3 GLU 55 13.033 4.312 18.166 377 H ASP 866 H ASP 56 13.234 3.346 14.489 378 HA ASP 866 HA ASP 56 15.603 4.524 15.515 379 HB2 ASP 866 HB2 ASP 56 15.175 2.186 14.606 380 HB3 ASP 866 HB3 ASP 56 15.311 2.926 13.016 381 H HIS 867 H HIS 57 13.441 5.567 13.116 382 HA HIS 867 HA HIS 57 15.459 6.877 11.404 383 HB2 HIS 867 HB2 HIS 57 13.813 6.680 9.740 384 HB3 HIS 867 HB3 HIS 57 14.071 5.167 10.524 385 HD1 HIS 867 HD1 HIS 57 11.457 7.841 11.797 386 HD2 HIS 867 HD2 HIS 57 11.934 4.115 9.954 387 HE1 HIS 867 HE1 HIS 57 9.134 7.161 11.001 388 H GLN 868 H GLN 58 13.534 8.404 10.082 389 HA GLN 868 HA GLN 58 12.321 10.420 11.773 390 HB2 GLN 868 HB2 GLN 58 13.392 12.324 10.659 391 HB3 GLN 868 HB3 GLN 58 14.560 11.379 11.559 392 HG2 GLN 868 HG2 GLN 58 14.172 11.093 8.544 393 HG3 GLN 868 HG3 GLN 58 15.289 12.239 9.274 394 HE21 GLN 868 HE21 GLN 58 16.981 11.185 10.830 395 HE22 GLN 868 HE22 GLN 58 17.573 9.616 10.291 396 H LEU 869 H LEU 59 10.893 11.865 10.477 397 HA LEU 869 HA LEU 59 9.806 10.531 8.024 398 HB2 LEU 869 HB2 LEU 59 8.527 12.546 9.908 399 HB3 LEU 869 HB3 LEU 59 7.759 11.706 8.565 400 HG LEU 869 HG LEU 59 6.922 10.890 10.572 401 HD11 LEU 869 HD11 LEU 59 7.283 8.487 10.318 402 HD12 LEU 869 HD12 LEU 59 8.796 8.797 9.438 403 HD13 LEU 869 HD13 LEU 59 7.224 9.264 8.745 404 HD21 LEU 869 HD21 LEU 59 9.587 9.868 11.550 405 HD22 LEU 869 HD22 LEU 59 8.016 9.827 12.352 406 HD23 LEU 869 HD23 LEU 59 8.823 11.382 12.106 407 H GLU 870 H GLU 60 9.060 11.901 6.311 408 HA GLU 870 HA GLU 60 10.458 14.546 6.095 409 HB2 GLU 870 HB2 GLU 60 11.317 12.866 4.576 410 HB3 GLU 870 HB3 GLU 60 9.706 12.508 3.990 411 HG2 GLU 870 HG2 GLU 60 10.901 13.774 2.399 412 HG3 GLU 870 HG3 GLU 60 9.538 14.732 2.980 413 HA PRO 871 HA PRO 61 6.144 15.977 5.817 414 HB2 PRO 871 HB2 PRO 61 6.541 18.633 6.171 415 HB3 PRO 871 HB3 PRO 61 6.665 17.454 7.504 416 HG2 PRO 871 HG2 PRO 61 8.888 18.737 5.904 417 HG3 PRO 871 HG3 PRO 61 8.816 18.437 7.666 418 HD2 PRO 871 HD2 PRO 61 10.108 16.795 5.806 419 HD3 PRO 871 HD3 PRO 61 9.536 16.241 7.391 420 H ILE 872 H ILE 62 4.938 16.609 3.967 421 HA ILE 872 HA ILE 62 6.370 18.126 1.831 422 HB ILE 872 HB ILE 62 4.194 16.216 1.181 423 HG12 ILE 872 HG12 ILE 62 7.037 15.485 1.891 424 HG13 ILE 872 HG13 ILE 62 5.497 14.675 2.277 425 HG21 ILE 872 HG21 ILE 62 5.250 16.372 -1.025 426 HG22 ILE 872 HG22 ILE 62 6.654 17.219 -0.337 427 HG23 ILE 872 HG23 ILE 62 5.069 18.005 -0.408 428 HD11 ILE 872 HD11 ILE 62 5.318 14.092 -0.137 429 HD12 ILE 872 HD12 ILE 62 6.721 13.362 0.711 430 HD13 ILE 872 HD13 ILE 62 6.962 14.773 -0.348 431 H TYR 873 H TYR 63 5.474 20.039 1.410 432 HA TYR 873 HA TYR 63 2.921 20.701 2.698 433 HB2 TYR 873 HB2 TYR 63 5.261 22.433 1.857 434 HB3 TYR 873 HB3 TYR 63 3.783 23.014 2.602 435 HD1 TYR 873 HD1 TYR 63 7.050 21.615 3.243 436 HD2 TYR 873 HD2 TYR 63 3.109 22.165 4.925 437 HE1 TYR 873 HE1 TYR 63 7.964 21.226 5.527 438 HE2 TYR 873 HE2 TYR 63 4.031 21.796 7.202 439 HH TYR 873 HH TYR 63 5.932 21.424 8.473 440 H ARG 874 H ARG 64 3.343 19.427 0.046 441 HA ARG 874 HA ARG 64 1.321 20.823 -1.494 442 HB2 ARG 874 HB2 ARG 64 4.099 20.277 -2.651 443 HB3 ARG 874 HB3 ARG 64 2.690 20.704 -3.612 444 HG2 ARG 874 HG2 ARG 64 4.050 22.498 -1.560 445 HG3 ARG 874 HG3 ARG 64 4.182 22.573 -3.305 446 HD2 ARG 874 HD2 ARG 64 1.745 23.000 -3.523 447 HD3 ARG 874 HD3 ARG 64 1.595 23.074 -1.773 448 HE ARG 874 HE ARG 64 2.698 25.085 -3.579 449 HH11 ARG 874 HH11 ARG 64 2.744 24.090 -0.202 450 HH12 ARG 874 HH12 ARG 64 3.320 25.658 0.317 451 HH21 ARG 874 HH21 ARG 64 3.373 27.033 -2.832 452 HH22 ARG 874 HH22 ARG 64 3.627 27.295 -1.133 453 H1 ALA 1 H1 ALA 65 -0.866 5.170 4.417 454 H2 ALA 1 H2 ALA 65 0.738 5.316 4.100 455 H3 ALA 1 H3 ALA 65 0.212 4.236 5.230 456 HA ALA 1 HA ALA 65 0.830 3.085 3.269 457 HB1 ALA 1 HB1 ALA 65 -0.965 2.000 4.453 458 HB2 ALA 1 HB2 ALA 65 -1.370 1.955 2.740 459 HB3 ALA 1 HB3 ALA 65 -2.161 3.144 3.796 460 H ARG 2 H ARG 66 1.481 3.630 1.364 461 HA ARG 2 HA ARG 66 0.257 5.342 -0.512 462 HB2 ARG 2 HB2 ARG 66 1.843 4.552 -2.084 463 HB3 ARG 2 HB3 ARG 66 2.626 4.608 -0.526 464 HG2 ARG 2 HG2 ARG 66 1.762 2.155 -2.109 465 HG3 ARG 2 HG3 ARG 66 3.389 2.662 -1.724 466 HD2 ARG 2 HD2 ARG 66 3.066 2.115 0.651 467 HD3 ARG 2 HD3 ARG 66 1.384 1.671 0.360 468 HE ARG 2 HE ARG 66 3.721 0.034 -0.136 469 HH11 ARG 2 HH11 ARG 66 3.473 -1.998 -0.662 470 HH12 ARG 2 HH12 ARG 66 1.989 -2.600 -1.373 471 HH21 ARG 2 HH21 ARG 66 0.253 -1.209 -1.658 472 HH22 ARG 2 HH22 ARG 66 0.371 0.471 -1.208 473 H THR 3 H THR 67 -1.527 5.234 -1.529 474 HA THR 3 HA THR 67 -2.452 2.766 -2.924 475 HB THR 3 HB THR 67 -4.761 3.302 -2.490 476 HG1 THR 3 HG1 THR 67 -4.911 5.442 -2.328 477 HG21 THR 3 HG21 THR 67 -4.976 2.929 -0.135 478 HG22 THR 3 HG22 THR 67 -3.356 3.569 0.192 479 HG23 THR 3 HG23 THR 67 -3.544 2.030 -0.686 480 HH31 ALY 4 H26 ALY 68 -3.252 13.803 -5.481 481 HH32 ALY 4 H27 ALY 68 -2.030 15.056 -5.167 482 HH33 ALY 4 H28 ALY 68 -2.340 13.791 -3.958 483 HZ ALY 4 HZ1 ALY 68 -2.308 11.512 -5.121 484 HE3 ALY 4 HE3 ALY 68 -0.662 10.640 -7.122 485 HE2 ALY 4 HE2 ALY 68 0.486 11.083 -5.839 486 HD3 ALY 4 HD3 ALY 68 -0.783 9.666 -4.235 487 HD2 ALY 4 HD2 ALY 68 -1.857 9.162 -5.563 488 HG3 ALY 4 HG3 ALY 68 0.097 8.178 -6.745 489 HG2 ALY 4 HG2 ALY 68 1.152 8.727 -5.442 490 HB3 ALY 4 HB3 ALY 68 0.784 6.447 -4.980 491 HB2 ALY 4 HB2 ALY 68 -0.185 7.350 -3.825 492 HCA ALY 4 HA ALY 68 -2.212 6.918 -5.268 493 H ALY 4 H ALY 68 -0.705 4.966 -3.725 494 H GLN 5 H GLN 69 -3.224 5.123 -6.557 495 HA GLN 5 HA GLN 69 -1.775 3.610 -8.470 496 HB2 GLN 5 HB2 GLN 69 -4.022 3.066 -7.607 497 HB3 GLN 5 HB3 GLN 69 -4.690 4.485 -8.402 498 HG2 GLN 5 HG2 GLN 69 -5.258 2.502 -9.657 499 HG3 GLN 5 HG3 GLN 69 -4.202 3.515 -10.620 500 HE21 GLN 5 HE21 GLN 69 -3.948 1.409 -11.867 501 HE22 GLN 5 HE22 GLN 69 -2.738 0.277 -11.283 502 H THR 6 H THR 70 -3.031 6.892 -8.725 503 HA THR 6 HA THR 70 -3.050 8.468 -10.363 504 HB THR 6 HB THR 70 -0.509 7.212 -11.425 505 HG1 THR 6 HG1 THR 70 -0.290 7.383 -9.213 506 HG21 THR 6 HG21 THR 70 0.150 9.574 -11.759 507 HG22 THR 6 HG22 THR 70 -1.433 10.115 -11.166 508 HG23 THR 6 HG23 THR 70 -1.304 9.212 -12.689 509 H ALA 7 H ALA 71 -4.901 6.710 -10.917 510 HA ALA 7 HA ALA 71 -4.762 5.449 -13.500 511 HB1 ALA 7 HB1 ALA 71 -7.174 5.085 -13.147 512 HB2 ALA 7 HB2 ALA 71 -7.160 6.220 -11.779 513 HB3 ALA 7 HB3 ALA 71 -6.253 4.693 -11.683 514 H ARG 8 H ARG 72 -5.961 5.961 -15.391 515 HA ARG 8 HA ARG 72 -5.842 8.701 -16.298 516 HB2 ARG 8 HB2 ARG 72 -5.419 6.717 -17.732 517 HB3 ARG 8 HB3 ARG 72 -7.122 6.256 -17.586 518 HG2 ARG 8 HG2 ARG 72 -7.798 8.359 -18.707 519 HG3 ARG 8 HG3 ARG 72 -6.096 8.871 -18.787 520 HD2 ARG 8 HD2 ARG 72 -5.576 6.921 -20.201 521 HD3 ARG 8 HD3 ARG 72 -7.271 6.397 -20.121 522 HE ARG 8 HE ARG 72 -7.199 9.082 -21.063 523 HH11 ARG 8 HH11 ARG 72 -6.325 5.900 -22.244 524 HH12 ARG 8 HH12 ARG 72 -6.573 6.347 -23.910 525 HH21 ARG 8 HH21 ARG 72 -7.465 9.596 -23.200 526 HH22 ARG 8 HH22 ARG 72 -7.182 8.398 -24.435 Start of MODEL 5 1 H1 GLY 811 H1 GLY 1 -1.851 30.843 1.589 2 H2 GLY 811 H2 GLY 1 -0.452 31.654 1.336 3 H3 GLY 811 H3 GLY 1 -0.665 30.806 2.719 4 HA2 GLY 811 HA2 GLY 1 -0.466 29.660 -0.002 5 HA3 GLY 811 HA3 GLY 1 0.815 29.606 1.223 6 HA PRO 812 HA PRO 2 -1.903 25.806 1.197 7 HB2 PRO 812 HB2 PRO 2 0.798 24.454 1.108 8 HB3 PRO 812 HB3 PRO 2 -0.718 23.985 0.284 9 HG2 PRO 812 HG2 PRO 2 1.218 25.259 -1.106 10 HG3 PRO 812 HG3 PRO 2 -0.480 25.811 -1.288 11 HD2 PRO 812 HD2 PRO 2 1.682 26.959 0.510 12 HD3 PRO 812 HD3 PRO 2 0.621 27.811 -0.644 13 H LEU 813 H LEU 3 0.682 26.668 3.286 14 HA LEU 813 HA LEU 3 0.992 24.594 5.047 15 HB2 LEU 813 HB2 LEU 3 2.379 26.559 5.079 16 HB3 LEU 813 HB3 LEU 3 1.014 27.583 5.518 17 HG LEU 813 HG LEU 3 0.905 26.537 7.761 18 HD11 LEU 813 HD11 LEU 3 3.414 25.045 6.875 19 HD12 LEU 813 HD12 LEU 3 1.845 24.307 7.279 20 HD13 LEU 813 HD13 LEU 3 2.785 25.118 8.529 21 HD21 LEU 813 HD21 LEU 3 3.676 27.548 7.003 22 HD22 LEU 813 HD22 LEU 3 2.970 27.529 8.634 23 HD23 LEU 813 HD23 LEU 3 2.264 28.562 7.375 24 H GLY 814 H GLY 4 -0.304 23.424 6.276 25 HA2 GLY 814 HA2 GLY 4 -1.757 22.991 8.069 26 HA3 GLY 814 HA3 GLY 4 -2.388 24.636 7.998 27 H SER 815 H SER 5 -2.484 23.693 4.863 28 HA SER 815 HA SER 5 -5.080 22.289 4.929 29 HB2 SER 815 HB2 SER 5 -4.406 24.783 3.325 30 HB3 SER 815 HB3 SER 5 -5.921 23.869 3.225 31 HG SER 815 HG SER 5 -6.110 25.694 4.611 32 H VAL 816 H VAL 6 -2.132 21.624 4.122 33 HA VAL 816 HA VAL 6 -1.909 21.421 1.318 34 HB VAL 816 HB VAL 6 -0.597 19.823 3.561 35 HG11 VAL 816 HG11 VAL 6 0.425 20.419 0.797 36 HG12 VAL 816 HG12 VAL 6 -0.139 18.843 1.430 37 HG13 VAL 816 HG13 VAL 6 1.313 19.604 2.106 38 HG21 VAL 816 HG21 VAL 6 -0.330 22.329 3.857 39 HG22 VAL 816 HG22 VAL 6 0.434 22.362 2.256 40 HG23 VAL 816 HG23 VAL 6 1.148 21.444 3.616 41 H GLN 817 H GLN 7 -2.675 20.020 -0.113 42 HA GLN 817 HA GLN 7 -4.062 17.563 0.875 43 HB2 GLN 817 HB2 GLN 7 -5.181 17.655 -1.321 44 HB3 GLN 817 HB3 GLN 7 -5.548 18.998 -0.239 45 HG2 GLN 817 HG2 GLN 7 -4.979 20.523 -1.733 46 HG3 GLN 817 HG3 GLN 7 -3.374 19.863 -1.892 47 HE21 GLN 817 HE21 GLN 7 -3.119 17.950 -3.350 48 HE22 GLN 817 HE22 GLN 7 -4.081 17.950 -4.843 49 H HIS 818 H HIS 8 -3.017 15.663 0.660 50 HA HIS 818 HA HIS 8 -1.008 15.423 -1.552 51 HB2 HIS 818 HB2 HIS 8 -0.896 14.727 1.306 52 HB3 HIS 818 HB3 HIS 8 -0.340 13.479 0.210 53 HD2 HIS 818 HD2 HIS 8 0.748 16.735 1.648 54 HE1 HIS 818 HE1 HIS 8 3.300 16.214 -1.711 55 HE2 HIS 818 HE2 HIS 8 2.806 17.693 0.270 56 H VAL 819 H VAL 9 -2.880 15.152 -2.848 57 HA VAL 819 HA VAL 9 -4.324 12.702 -3.072 58 HB VAL 819 HB VAL 9 -3.491 14.736 -5.148 59 HG11 VAL 819 HG11 VAL 9 -4.028 12.574 -6.257 60 HG12 VAL 819 HG12 VAL 9 -5.300 13.774 -6.520 61 HG13 VAL 819 HG13 VAL 9 -5.545 12.482 -5.328 62 HG21 VAL 819 HG21 VAL 9 -5.886 15.422 -4.893 63 HG22 VAL 819 HG22 VAL 9 -5.011 15.601 -3.375 64 HG23 VAL 819 HG23 VAL 9 -6.086 14.211 -3.607 65 H GLY 820 H GLY 10 -3.612 10.720 -3.347 66 HA2 GLY 820 HA2 GLY 10 -2.257 9.026 -4.302 67 HA3 GLY 820 HA3 GLY 10 -0.993 10.207 -4.641 68 H PHE 821 H PHE 11 -1.960 10.767 -1.422 69 HA PHE 821 HA PHE 11 -0.219 8.592 -0.324 70 HB2 PHE 821 HB2 PHE 11 -0.064 11.436 0.620 71 HB3 PHE 821 HB3 PHE 11 0.951 10.080 1.061 72 HD1 PHE 821 HD1 PHE 11 0.035 12.338 -1.763 73 HD2 PHE 821 HD2 PHE 11 3.041 9.859 0.045 74 HE1 PHE 821 HE1 PHE 11 1.712 13.288 -3.301 75 HE2 PHE 821 HE2 PHE 11 4.701 10.678 -1.642 76 HZ PHE 821 HZ PHE 11 4.059 12.548 -3.167 77 H LYS 822 H LYS 12 -1.957 7.480 0.396 78 HA LYS 822 HA LYS 12 -3.880 8.629 2.366 79 HB2 LYS 822 HB2 LYS 12 -5.022 7.276 1.083 80 HB3 LYS 822 HB3 LYS 12 -3.720 6.269 0.635 81 HG2 LYS 822 HG2 LYS 12 -4.928 6.051 3.457 82 HG3 LYS 822 HG3 LYS 12 -5.736 5.424 2.074 83 HD2 LYS 822 HD2 LYS 12 -3.621 4.100 1.468 84 HD3 LYS 822 HD3 LYS 12 -2.952 4.621 3.031 85 HE2 LYS 822 HE2 LYS 12 -4.859 3.552 4.196 86 HE3 LYS 822 HE3 LYS 12 -5.543 3.063 2.634 87 HZ1 LYS 822 HZ1 LYS 12 -4.323 1.231 3.646 88 HZ2 LYS 822 HZ2 LYS 12 -2.943 2.095 3.729 89 HZ3 LYS 822 HZ3 LYS 12 -3.572 1.658 2.269 90 H CYS 823 H CYS 13 -3.892 8.131 4.520 91 HA CYS 823 HA CYS 13 -1.347 7.802 5.804 92 HB2 CYS 823 HB2 CYS 13 -3.172 9.250 6.602 93 HB3 CYS 823 HB3 CYS 13 -4.181 7.829 6.813 94 H ASP 824 H ASP 14 -0.662 6.304 7.165 95 HA ASP 824 HA ASP 14 -1.595 3.467 6.855 96 HB2 ASP 824 HB2 ASP 14 1.005 4.731 7.787 97 HB3 ASP 824 HB3 ASP 14 0.642 3.027 7.973 98 H ASN 825 H ASN 15 -1.335 6.019 9.243 99 HA ASN 825 HA ASN 15 -1.573 4.278 11.570 100 HB2 ASN 825 HB2 ASN 15 -0.663 6.590 11.726 101 HB3 ASN 825 HB3 ASN 15 -2.278 7.215 11.298 102 HD21 ASN 825 HD21 ASN 15 -2.616 8.289 13.266 103 HD22 ASN 825 HD22 ASN 15 -2.822 7.393 14.784 104 H CYS 826 H CYS 16 -3.979 6.462 9.973 105 HA CYS 826 HA CYS 16 -6.140 4.885 11.229 106 HB2 CYS 826 HB2 CYS 16 -7.352 6.848 11.431 107 HB3 CYS 826 HB3 CYS 16 -5.716 7.297 11.901 108 H GLY 827 H GLY 17 -4.842 5.512 8.100 109 HA2 GLY 827 HA2 GLY 17 -5.352 4.267 6.244 110 HA3 GLY 827 HA3 GLY 17 -6.880 3.789 6.934 111 H ILE 828 H ILE 18 -6.529 7.150 7.265 112 HA ILE 828 HA ILE 18 -8.632 7.731 5.515 113 HB ILE 828 HB ILE 18 -8.110 9.082 7.457 114 HG12 ILE 828 HG12 ILE 18 -7.827 10.851 5.010 115 HG13 ILE 828 HG13 ILE 18 -9.317 10.044 5.386 116 HG21 ILE 828 HG21 ILE 18 -5.626 9.068 7.360 117 HG22 ILE 828 HG22 ILE 18 -6.281 10.681 7.466 118 HG23 ILE 828 HG23 ILE 18 -5.651 10.085 5.919 119 HD11 ILE 828 HD11 ILE 18 -9.459 12.287 6.229 120 HD12 ILE 828 HD12 ILE 18 -7.947 12.124 7.134 121 HD13 ILE 828 HD13 ILE 18 -9.383 11.187 7.612 122 H GLU 829 H GLU 19 -8.781 8.596 3.586 123 HA GLU 829 HA GLU 19 -6.920 8.061 1.528 124 HB2 GLU 829 HB2 GLU 19 -8.439 9.942 0.426 125 HB3 GLU 829 HB3 GLU 19 -8.926 8.291 0.484 126 HG2 GLU 829 HG2 GLU 19 -9.748 10.353 2.588 127 HG3 GLU 829 HG3 GLU 19 -10.635 10.118 1.090 128 HA PRO 830 HA PRO 20 -3.977 11.126 0.461 129 HB2 PRO 830 HB2 PRO 20 -6.495 12.609 -0.385 130 HB3 PRO 830 HB3 PRO 20 -4.873 12.588 -1.136 131 HG2 PRO 830 HG2 PRO 20 -7.009 10.898 -1.706 132 HG3 PRO 830 HG3 PRO 20 -5.325 10.630 -2.248 133 HD2 PRO 830 HD2 PRO 20 -6.615 8.941 -0.489 134 HD3 PRO 830 HD3 PRO 20 -4.851 9.150 -0.575 135 H ILE 831 H ILE 21 -3.125 11.675 2.354 136 HA ILE 831 HA ILE 21 -4.289 12.871 4.536 137 HB ILE 831 HB ILE 21 -1.422 12.948 3.555 138 HG12 ILE 831 HG12 ILE 21 -2.536 11.295 5.855 139 HG13 ILE 831 HG13 ILE 21 -2.710 10.718 4.218 140 HG21 ILE 831 HG21 ILE 21 -2.495 13.814 6.270 141 HG22 ILE 831 HG22 ILE 21 -1.570 14.796 5.119 142 HG23 ILE 831 HG23 ILE 21 -0.792 13.464 5.959 143 HD11 ILE 831 HD11 ILE 21 -0.695 9.796 5.253 144 HD12 ILE 831 HD12 ILE 21 -0.035 11.422 5.463 145 HD13 ILE 831 HD13 ILE 21 -0.310 10.787 3.828 146 H GLN 832 H GLN 22 -4.687 14.771 5.388 147 HA GLN 832 HA GLN 22 -4.391 17.150 3.628 148 HB2 GLN 832 HB2 GLN 22 -6.537 16.617 5.685 149 HB3 GLN 832 HB3 GLN 22 -6.400 18.021 4.620 150 HG2 GLN 832 HG2 GLN 22 -6.804 15.171 3.609 151 HG3 GLN 832 HG3 GLN 22 -8.096 16.312 3.907 152 HE21 GLN 832 HE21 GLN 22 -6.429 15.053 1.401 153 HE22 GLN 832 HE22 GLN 22 -6.637 16.413 0.288 154 H GLY 833 H GLY 23 -3.520 18.961 4.401 155 HA2 GLY 833 HA2 GLY 23 -3.263 20.602 6.199 156 HA3 GLY 833 HA3 GLY 23 -2.972 19.307 7.317 157 H VAL 834 H VAL 24 -1.153 17.826 6.598 158 HA VAL 834 HA VAL 24 1.153 18.891 5.215 159 HB VAL 834 HB VAL 24 1.162 19.884 7.498 160 HG11 VAL 834 HG11 VAL 24 1.556 18.619 9.479 161 HG12 VAL 834 HG12 VAL 24 1.559 17.098 8.550 162 HG13 VAL 834 HG13 VAL 24 0.060 18.066 8.698 163 HG21 VAL 834 HG21 VAL 24 3.410 17.884 7.053 164 HG22 VAL 834 HG22 VAL 24 3.462 19.256 8.174 165 HG23 VAL 834 HG23 VAL 24 3.339 19.564 6.444 166 H ARG 835 H ARG 25 2.353 17.078 4.410 167 HA ARG 835 HA ARG 25 1.281 14.356 5.103 168 HB2 ARG 835 HB2 ARG 25 1.499 14.521 2.802 169 HB3 ARG 835 HB3 ARG 25 2.990 15.448 2.880 170 HG2 ARG 835 HG2 ARG 25 4.227 13.418 3.596 171 HG3 ARG 835 HG3 ARG 25 2.729 12.472 3.458 172 HD2 ARG 835 HD2 ARG 25 2.639 12.867 1.075 173 HD3 ARG 835 HD3 ARG 25 3.914 14.087 1.176 174 HE ARG 835 HE ARG 25 4.439 11.234 1.957 175 HH11 ARG 835 HH11 ARG 25 5.193 13.831 -0.301 176 HH12 ARG 835 HH12 ARG 25 6.646 13.050 -0.849 177 HH21 ARG 835 HH21 ARG 25 6.301 10.301 1.198 178 HH22 ARG 835 HH22 ARG 25 7.207 11.060 -0.073 179 H TRP 836 H TRP 26 2.751 12.677 5.811 180 HA TRP 836 HA TRP 26 5.223 13.684 7.160 181 HB2 TRP 836 HB2 TRP 26 3.083 12.099 8.587 182 HB3 TRP 836 HB3 TRP 26 4.735 12.109 9.050 183 HD1 TRP 836 HD1 TRP 26 1.786 14.381 9.153 184 HE1 TRP 836 HE1 TRP 26 2.357 16.379 10.753 185 HE3 TRP 836 HE3 TRP 26 6.800 13.753 9.457 186 HZ2 TRP 836 HZ2 TRP 26 4.630 17.190 12.312 187 HZ3 TRP 836 HZ3 TRP 26 8.152 14.980 11.120 188 HH2 TRP 836 HH2 TRP 26 7.076 16.664 12.600 189 H HIS 837 H HIS 27 6.527 12.823 5.682 190 HA HIS 837 HA HIS 27 6.192 9.979 4.800 191 HB2 HIS 837 HB2 HIS 27 6.723 11.730 3.146 192 HB3 HIS 837 HB3 HIS 27 8.171 12.168 4.035 193 HD2 HIS 837 HD2 HIS 27 10.335 11.109 3.130 194 HE1 HIS 837 HE1 HIS 27 8.755 7.590 1.321 195 HE2 HIS 837 HE2 HIS 27 10.872 8.938 1.740 196 H CYS 838 H CYS 28 7.380 8.261 5.791 197 HA CYS 838 HA CYS 28 9.266 8.965 7.891 198 HB2 CYS 838 HB2 CYS 28 7.758 7.096 7.968 199 HB3 CYS 838 HB3 CYS 28 8.705 6.350 6.656 200 H GLN 839 H GLN 29 11.304 9.182 7.883 201 HA GLN 839 HA GLN 29 12.613 9.732 5.368 202 HB2 GLN 839 HB2 GLN 29 13.652 9.769 8.221 203 HB3 GLN 839 HB3 GLN 29 14.522 10.383 6.810 204 HG2 GLN 839 HG2 GLN 29 12.421 11.827 6.350 205 HG3 GLN 839 HG3 GLN 29 11.924 11.455 7.992 206 HE21 GLN 839 HE21 GLN 29 12.112 13.609 8.846 207 HE22 GLN 839 HE22 GLN 29 13.586 14.538 8.683 208 H ASP 840 H ASP 30 12.877 7.084 7.747 209 HA ASP 840 HA ASP 30 15.167 5.926 6.226 210 HB2 ASP 840 HB2 ASP 30 15.168 6.285 8.748 211 HB3 ASP 840 HB3 ASP 30 13.849 5.193 8.780 212 H CYS 841 H CYS 31 11.700 5.288 6.830 213 HA CYS 841 HA CYS 31 11.683 2.555 6.007 214 HB2 CYS 841 HB2 CYS 31 9.539 4.690 5.922 215 HB3 CYS 841 HB3 CYS 31 9.298 3.106 5.264 216 HA PRO 842 HA PRO 32 12.747 2.961 1.783 217 HB2 PRO 842 HB2 PRO 32 11.987 0.594 0.676 218 HB3 PRO 842 HB3 PRO 32 13.209 0.695 1.981 219 HG2 PRO 842 HG2 PRO 32 10.239 0.094 2.263 220 HG3 PRO 842 HG3 PRO 32 11.624 -0.819 2.945 221 HD2 PRO 842 HD2 PRO 32 10.244 1.082 4.375 222 HD3 PRO 842 HD3 PRO 32 11.987 0.791 4.603 223 HA PRO 843 HA PRO 33 9.438 4.671 -0.702 224 HB2 PRO 843 HB2 PRO 33 10.842 3.308 -3.019 225 HB3 PRO 843 HB3 PRO 33 10.192 4.971 -2.922 226 HG2 PRO 843 HG2 PRO 33 12.839 4.565 -2.598 227 HG3 PRO 843 HG3 PRO 33 11.976 5.640 -1.442 228 HD2 PRO 843 HD2 PRO 33 12.740 2.727 -1.079 229 HD3 PRO 843 HD3 PRO 33 12.939 4.112 0.041 230 H GLU 844 H GLU 34 10.223 1.253 -1.289 231 HA GLU 844 HA GLU 34 7.871 0.413 -2.603 232 HB2 GLU 844 HB2 GLU 34 9.917 -0.913 -2.367 233 HB3 GLU 844 HB3 GLU 34 9.646 -1.076 -0.621 234 HG2 GLU 844 HG2 GLU 34 7.678 -2.444 -0.989 235 HG3 GLU 844 HG3 GLU 34 7.653 -2.048 -2.709 236 H MET 845 H MET 35 8.427 0.954 0.838 237 HA MET 845 HA MET 35 5.654 0.142 1.563 238 HB2 MET 845 HB2 MET 35 8.009 1.109 3.208 239 HB3 MET 845 HB3 MET 35 6.382 0.897 3.857 240 HG2 MET 845 HG2 MET 35 7.967 -1.313 2.510 241 HG3 MET 845 HG3 MET 35 7.912 -1.037 4.247 242 HE1 MET 845 HE1 MET 35 5.891 -1.529 5.836 243 HE2 MET 845 HE2 MET 35 4.295 -2.079 5.294 244 HE3 MET 845 HE3 MET 35 4.811 -0.416 4.961 245 H SER 846 H SER 36 7.714 3.073 1.552 246 HA SER 846 HA SER 36 7.239 5.265 2.038 247 HB2 SER 846 HB2 SER 36 5.587 6.225 0.295 248 HB3 SER 846 HB3 SER 36 7.085 5.466 -0.239 249 HG SER 846 HG SER 36 6.036 3.810 -1.028 250 H LEU 847 H LEU 37 6.470 4.501 4.154 251 HA LEU 847 HA LEU 37 3.633 4.570 4.720 252 HB2 LEU 847 HB2 LEU 37 6.106 4.576 6.434 253 HB3 LEU 847 HB3 LEU 37 4.517 4.731 7.147 254 HG LEU 847 HG LEU 37 4.563 2.444 5.270 255 HD11 LEU 847 HD11 LEU 37 6.178 1.037 6.496 256 HD12 LEU 847 HD12 LEU 37 6.769 2.535 7.270 257 HD13 LEU 847 HD13 LEU 37 6.882 2.354 5.532 258 HD21 LEU 847 HD21 LEU 37 4.239 2.028 8.199 259 HD22 LEU 847 HD22 LEU 37 3.583 1.181 6.823 260 HD23 LEU 847 HD23 LEU 37 2.982 2.788 7.210 261 H ASP 848 H ASP 38 2.400 6.188 5.664 262 HA ASP 848 HA ASP 38 3.572 8.874 5.902 263 HB2 ASP 848 HB2 ASP 38 1.181 8.362 4.134 264 HB3 ASP 848 HB3 ASP 38 1.813 9.920 4.615 265 H PHE 849 H PHE 39 2.418 10.284 7.250 266 HA PHE 849 HA PHE 39 -0.147 9.279 8.386 267 HB2 PHE 849 HB2 PHE 39 1.985 10.562 10.120 268 HB3 PHE 849 HB3 PHE 39 0.500 9.788 10.597 269 HD1 PHE 849 HD1 PHE 39 3.955 9.331 10.468 270 HD2 PHE 849 HD2 PHE 39 0.265 7.242 9.728 271 HE1 PHE 849 HE1 PHE 39 5.040 7.191 11.053 272 HE2 PHE 849 HE2 PHE 39 1.363 5.081 10.298 273 HZ PHE 849 HZ PHE 39 3.755 5.051 10.996 274 H CYS 850 H CYS 40 -1.618 10.781 9.231 275 HA CYS 850 HA CYS 40 -1.669 13.419 8.229 276 HB2 CYS 850 HB2 CYS 40 -3.112 12.193 10.620 277 HB3 CYS 850 HB3 CYS 40 -3.650 13.602 9.708 278 H ASP 851 H ASP 41 -2.111 15.334 9.718 279 HA ASP 851 HA ASP 41 0.181 16.182 11.116 280 HB2 ASP 851 HB2 ASP 41 -1.029 18.125 11.611 281 HB3 ASP 851 HB3 ASP 41 -1.601 17.598 10.041 282 H SER 852 H SER 42 -2.680 14.544 12.368 283 HA SER 852 HA SER 42 -1.813 14.735 15.163 284 HB2 SER 852 HB2 SER 42 -4.200 14.921 14.583 285 HB3 SER 852 HB3 SER 42 -4.155 13.288 13.880 286 HG SER 852 HG SER 42 -4.938 13.333 16.077 287 H CYS 853 H CYS 43 -1.996 12.280 12.570 288 HA CYS 853 HA CYS 43 -1.549 10.003 14.220 289 HB2 CYS 853 HB2 CYS 43 -1.409 10.604 11.273 290 HB3 CYS 853 HB3 CYS 43 -1.221 9.005 11.948 291 H SER 854 H SER 44 0.565 12.228 12.508 292 HA SER 854 HA SER 44 2.987 10.699 12.429 293 HB2 SER 854 HB2 SER 44 4.019 12.872 12.133 294 HB3 SER 854 HB3 SER 44 2.489 12.826 11.259 295 HG SER 854 HG SER 44 2.768 14.763 12.530 296 H ASP 855 H ASP 45 1.301 12.271 15.065 297 HA ASP 855 HA ASP 45 3.560 12.176 16.909 298 HB2 ASP 855 HB2 ASP 45 1.695 13.924 16.951 299 HB3 ASP 855 HB3 ASP 45 0.638 12.654 17.577 300 H CYS 856 H CYS 46 1.409 9.896 15.656 301 HA CYS 856 HA CYS 46 1.050 8.263 18.015 302 HB2 CYS 856 HB2 CYS 46 -0.415 8.507 15.818 303 HB3 CYS 856 HB3 CYS 46 0.678 7.296 15.162 304 HG CYS 856 HG CYS 46 0.388 5.548 17.111 305 H LEU 857 H LEU 47 3.655 8.754 15.974 306 HA LEU 857 HA LEU 47 5.723 7.864 15.725 307 HB2 LEU 857 HB2 LEU 47 5.608 7.929 18.178 308 HB3 LEU 857 HB3 LEU 47 5.023 6.278 18.199 309 HG LEU 857 HG LEU 47 7.126 5.454 17.210 310 HD11 LEU 857 HD11 LEU 47 7.927 7.425 15.989 311 HD12 LEU 857 HD12 LEU 47 9.115 6.985 17.213 312 HD13 LEU 857 HD13 LEU 47 8.033 8.356 17.505 313 HD21 LEU 857 HD21 LEU 47 7.364 7.178 19.716 314 HD22 LEU 857 HD22 LEU 47 8.477 5.876 19.273 315 HD23 LEU 857 HD23 LEU 47 6.793 5.493 19.627 316 H HIS 858 H HIS 48 3.970 5.088 16.710 317 HA HIS 858 HA HIS 48 3.785 3.033 16.128 318 HB2 HIS 858 HB2 HIS 48 1.993 4.271 15.210 319 HB3 HIS 858 HB3 HIS 48 2.942 4.737 13.829 320 HD2 HIS 858 HD2 HIS 48 2.550 3.221 11.676 321 HE1 HIS 858 HE1 HIS 48 0.546 -0.068 13.504 322 HE2 HIS 858 HE2 HIS 48 1.222 0.976 11.286 323 H GLU 859 H GLU 49 3.979 1.118 14.988 324 HA GLU 859 HA GLU 49 6.332 0.907 13.240 325 HB2 GLU 859 HB2 GLU 49 6.088 -0.986 15.589 326 HB3 GLU 859 HB3 GLU 49 7.437 -0.670 14.571 327 HG2 GLU 859 HG2 GLU 49 7.572 1.673 15.620 328 HG3 GLU 859 HG3 GLU 49 6.323 1.141 16.735 329 H THR 860 H THR 50 6.376 -0.847 11.905 330 HA THR 860 HA THR 50 4.111 -2.825 11.996 331 HB THR 860 HB THR 50 3.803 -2.744 9.637 332 HG1 THR 860 HG1 THR 50 4.967 -1.358 8.323 333 HG21 THR 860 HG21 THR 50 2.414 -1.110 10.652 334 HG22 THR 860 HG22 THR 50 3.117 -0.358 9.200 335 HG23 THR 860 HG23 THR 50 3.725 0.064 10.821 336 H ASP 861 H ASP 51 5.386 -3.942 9.431 337 HA ASP 861 HA ASP 51 7.396 -5.661 10.626 338 HB2 ASP 861 HB2 ASP 51 6.429 -5.323 7.820 339 HB3 ASP 861 HB3 ASP 51 7.574 -6.544 8.337 340 H ILE 862 H ILE 52 7.258 -2.714 8.712 341 HA ILE 862 HA ILE 52 10.209 -2.610 8.572 342 HB ILE 862 HB ILE 52 8.221 -1.727 6.493 343 HG12 ILE 862 HG12 ILE 52 10.371 -3.913 6.710 344 HG13 ILE 862 HG13 ILE 52 8.628 -4.186 6.650 345 HG21 ILE 862 HG21 ILE 52 11.244 -1.404 6.660 346 HG22 ILE 862 HG22 ILE 52 10.035 -0.097 6.597 347 HG23 ILE 862 HG23 ILE 52 10.272 -1.133 5.196 348 HD11 ILE 862 HD11 ILE 52 9.519 -4.748 4.559 349 HD12 ILE 862 HD12 ILE 52 10.357 -3.188 4.413 350 HD13 ILE 862 HD13 ILE 52 8.562 -3.260 4.388 351 H HIS 863 H HIS 53 7.221 -0.892 9.213 352 HA HIS 863 HA HIS 53 8.469 1.707 9.693 353 HB2 HIS 863 HB2 HIS 53 6.181 1.409 8.917 354 HB3 HIS 863 HB3 HIS 53 5.644 0.713 10.300 355 HD1 HIS 863 HD1 HIS 53 4.717 3.599 8.967 356 HD2 HIS 863 HD2 HIS 53 7.566 3.110 11.905 357 HE1 HIS 863 HE1 HIS 53 6.456 5.366 8.507 358 H LYS 864 H LYS 54 9.521 2.275 11.502 359 HA LYS 864 HA LYS 54 9.036 0.831 14.044 360 HB2 LYS 864 HB2 LYS 54 11.795 1.343 12.880 361 HB3 LYS 864 HB3 LYS 54 11.427 0.668 14.454 362 HG2 LYS 864 HG2 LYS 54 10.777 -0.605 11.743 363 HG3 LYS 864 HG3 LYS 54 12.102 -1.063 12.766 364 HD2 LYS 864 HD2 LYS 54 10.767 -2.138 14.352 365 HD3 LYS 864 HD3 LYS 54 9.306 -1.362 13.850 366 HE2 LYS 864 HE2 LYS 54 9.216 -2.559 11.768 367 HE3 LYS 864 HE3 LYS 54 10.865 -3.129 11.938 368 HZ1 LYS 864 HZ1 LYS 54 10.017 -4.391 13.981 369 HZ2 LYS 864 HZ2 LYS 54 9.433 -4.924 12.552 370 HZ3 LYS 864 HZ3 LYS 54 8.489 -3.994 13.496 371 H GLU 865 H GLU 55 10.028 1.963 15.944 372 HA GLU 865 HA GLU 55 9.912 4.861 15.699 373 HB2 GLU 865 HB2 GLU 55 10.030 4.887 18.050 374 HB3 GLU 865 HB3 GLU 55 8.870 3.674 17.531 375 HG2 GLU 865 HG2 GLU 55 10.633 1.915 18.023 376 HG3 GLU 865 HG3 GLU 55 11.730 3.189 18.524 377 H ASP 866 H ASP 56 12.346 2.868 14.802 378 HA ASP 866 HA ASP 56 14.600 3.750 16.316 379 HB2 ASP 866 HB2 ASP 56 14.269 1.581 15.045 380 HB3 ASP 866 HB3 ASP 56 14.561 2.526 13.596 381 H HIS 867 H HIS 57 12.797 5.150 13.787 382 HA HIS 867 HA HIS 57 14.905 7.030 12.885 383 HB2 HIS 867 HB2 HIS 57 13.532 6.654 10.687 384 HB3 HIS 867 HB3 HIS 57 14.749 5.534 11.160 385 HD1 HIS 867 HD1 HIS 57 13.900 3.487 10.016 386 HD2 HIS 867 HD2 HIS 57 10.969 5.772 11.924 387 HE1 HIS 867 HE1 HIS 57 11.706 3.272 8.745 388 H GLN 868 H GLN 58 13.165 8.367 11.177 389 HA GLN 868 HA GLN 58 11.319 9.815 12.927 390 HB2 GLN 868 HB2 GLN 58 12.436 11.952 12.584 391 HB3 GLN 868 HB3 GLN 58 13.483 10.827 13.436 392 HG2 GLN 868 HG2 GLN 58 13.695 11.365 10.431 393 HG3 GLN 868 HG3 GLN 58 14.574 12.271 11.648 394 HE21 GLN 868 HE21 GLN 58 16.080 10.958 13.117 395 HE22 GLN 868 HE22 GLN 58 16.813 9.545 12.371 396 H LEU 869 H LEU 59 10.018 11.398 11.860 397 HA LEU 869 HA LEU 59 9.467 10.731 9.012 398 HB2 LEU 869 HB2 LEU 59 7.752 12.233 11.032 399 HB3 LEU 869 HB3 LEU 59 7.280 11.652 9.440 400 HG LEU 869 HG LEU 59 6.196 10.363 10.997 401 HD11 LEU 869 HD11 LEU 59 6.891 8.093 10.425 402 HD12 LEU 869 HD12 LEU 59 8.478 8.697 9.961 403 HD13 LEU 869 HD13 LEU 59 7.004 9.197 9.041 404 HD21 LEU 869 HD21 LEU 59 7.695 10.676 12.987 405 HD22 LEU 869 HD22 LEU 59 8.724 9.364 12.332 406 HD23 LEU 869 HD23 LEU 59 7.045 9.046 12.761 407 H GLU 870 H GLU 60 8.815 12.421 7.571 408 HA GLU 870 HA GLU 60 10.099 15.074 8.080 409 HB2 GLU 870 HB2 GLU 60 11.085 13.572 6.291 410 HB3 GLU 870 HB3 GLU 60 9.568 13.702 5.434 411 HG2 GLU 870 HG2 GLU 60 10.937 15.214 4.418 412 HG3 GLU 870 HG3 GLU 60 9.947 16.251 5.452 413 HA PRO 871 HA PRO 61 5.785 16.361 7.500 414 HB2 PRO 871 HB2 PRO 61 5.978 18.953 8.316 415 HB3 PRO 871 HB3 PRO 61 5.954 17.587 9.459 416 HG2 PRO 871 HG2 PRO 61 8.330 19.160 8.468 417 HG3 PRO 871 HG3 PRO 61 8.008 18.546 10.116 418 HD2 PRO 871 HD2 PRO 61 9.644 17.316 8.214 419 HD3 PRO 871 HD3 PRO 61 8.889 16.460 9.582 420 H ILE 872 H ILE 62 4.823 17.209 5.647 421 HA ILE 872 HA ILE 62 6.545 18.861 3.835 422 HB ILE 872 HB ILE 62 4.452 16.999 2.829 423 HG12 ILE 872 HG12 ILE 62 5.999 15.515 4.078 424 HG13 ILE 872 HG13 ILE 62 6.030 15.214 2.362 425 HG21 ILE 872 HG21 ILE 62 5.289 18.813 1.365 426 HG22 ILE 872 HG22 ILE 62 5.712 17.224 0.720 427 HG23 ILE 872 HG23 ILE 62 6.930 18.221 1.540 428 HD11 ILE 872 HD11 ILE 62 8.143 16.340 2.092 429 HD12 ILE 872 HD12 ILE 62 8.280 15.205 3.454 430 HD13 ILE 872 HD13 ILE 62 8.093 16.948 3.750 431 H TYR 873 H TYR 63 5.826 20.761 3.713 432 HA TYR 873 HA TYR 63 3.158 21.486 4.640 433 HB2 TYR 873 HB2 TYR 63 5.657 23.132 4.148 434 HB3 TYR 873 HB3 TYR 63 4.172 23.742 4.833 435 HD1 TYR 873 HD1 TYR 63 3.242 22.347 6.941 436 HD2 TYR 873 HD2 TYR 63 7.358 22.445 5.645 437 HE1 TYR 873 HE1 TYR 63 3.975 21.761 9.238 438 HE2 TYR 873 HE2 TYR 63 8.092 21.859 7.945 439 HH TYR 873 HH TYR 63 7.431 21.568 10.161 440 H ARG 874 H ARG 64 3.928 20.488 1.862 441 HA ARG 874 HA ARG 64 2.276 22.270 0.236 442 HB2 ARG 874 HB2 ARG 64 4.093 22.651 -1.426 443 HB3 ARG 874 HB3 ARG 64 4.394 23.427 0.136 444 HG2 ARG 874 HG2 ARG 64 5.913 21.499 0.746 445 HG3 ARG 874 HG3 ARG 64 5.679 20.848 -0.875 446 HD2 ARG 874 HD2 ARG 64 6.742 23.592 -0.186 447 HD3 ARG 874 HD3 ARG 64 7.766 22.200 -0.537 448 HE ARG 874 HE ARG 64 6.255 23.855 -2.441 449 HH11 ARG 874 HH11 ARG 64 6.525 23.565 -4.615 450 HH12 ARG 874 HH12 ARG 64 7.356 22.160 -5.217 451 HH21 ARG 874 HH21 ARG 64 7.983 20.811 -2.128 452 HH22 ARG 874 HH22 ARG 64 8.161 20.641 -3.852 453 H1 ALA 1 H1 ALA 65 0.381 6.439 2.864 454 H2 ALA 1 H2 ALA 65 2.015 6.568 2.647 455 H3 ALA 1 H3 ALA 65 1.401 5.507 3.753 456 HA ALA 1 HA ALA 65 2.165 4.374 1.799 457 HB1 ALA 1 HB1 ALA 65 0.362 3.304 3.027 458 HB2 ALA 1 HB2 ALA 65 0.105 3.098 1.294 459 HB3 ALA 1 HB3 ALA 65 -0.849 4.302 2.188 460 H ARG 2 H ARG 66 2.691 4.697 -0.206 461 HA ARG 2 HA ARG 66 1.672 6.537 -2.035 462 HB2 ARG 2 HB2 ARG 66 2.864 5.297 -3.712 463 HB3 ARG 2 HB3 ARG 66 3.796 5.388 -2.246 464 HG2 ARG 2 HG2 ARG 66 2.523 2.989 -3.562 465 HG3 ARG 2 HG3 ARG 66 4.182 3.243 -3.063 466 HD2 ARG 2 HD2 ARG 66 3.362 3.037 -0.633 467 HD3 ARG 2 HD3 ARG 66 1.829 2.478 -1.267 468 HE ARG 2 HE ARG 66 4.404 1.069 -1.191 469 HH11 ARG 2 HH11 ARG 66 4.569 -0.964 -1.742 470 HH12 ARG 2 HH12 ARG 66 3.290 -1.812 -2.595 471 HH21 ARG 2 HH21 ARG 66 1.241 0.976 -2.745 472 HH22 ARG 2 HH22 ARG 66 1.416 -0.710 -3.146 473 H THR 3 H THR 67 -0.160 6.799 -2.954 474 HA THR 3 HA THR 67 -1.561 4.568 -4.337 475 HB THR 3 HB THR 67 -3.736 5.622 -3.830 476 HG1 THR 3 HG1 THR 67 -3.885 7.240 -2.337 477 HG21 THR 3 HG21 THR 67 -2.881 3.776 -2.357 478 HG22 THR 3 HG22 THR 67 -4.008 4.882 -1.554 479 HG23 THR 3 HG23 THR 67 -2.268 5.017 -1.234 480 HH31 ALY 4 H26 ALY 68 -1.620 15.141 -8.221 481 HH32 ALY 4 H27 ALY 68 -1.350 15.116 -6.464 482 HH33 ALY 4 H28 ALY 68 -1.995 13.675 -7.280 483 HZ ALY 4 HZ1 ALY 68 0.009 13.129 -5.781 484 HE3 ALY 4 HE3 ALY 68 2.304 12.610 -7.627 485 HE2 ALY 4 HE2 ALY 68 2.619 13.317 -6.038 486 HD3 ALY 4 HD3 ALY 68 2.933 10.913 -5.931 487 HD2 ALY 4 HD2 ALY 68 1.521 11.367 -4.966 488 HG3 ALY 4 HG3 ALY 68 0.027 10.674 -6.834 489 HG2 ALY 4 HG2 ALY 68 1.453 10.163 -7.765 490 HB3 ALY 4 HB3 ALY 68 2.004 8.457 -6.115 491 HB2 ALY 4 HB2 ALY 68 0.853 9.124 -4.965 492 HCA ALY 4 HA ALY 68 -0.983 8.603 -6.697 493 H ALY 4 H ALY 68 0.472 6.596 -5.095 494 H GLN 5 H GLN 69 -1.709 6.901 -8.179 495 HA GLN 5 HA GLN 69 0.046 6.792 -10.536 496 HB2 GLN 5 HB2 GLN 69 -0.003 4.486 -10.887 497 HB3 GLN 5 HB3 GLN 69 0.492 4.676 -9.221 498 HG2 GLN 5 HG2 GLN 69 -2.282 3.861 -10.213 499 HG3 GLN 5 HG3 GLN 69 -1.067 2.789 -9.557 500 HE21 GLN 5 HE21 GLN 69 -3.931 3.973 -8.722 501 HE22 GLN 5 HE22 GLN 69 -3.690 4.194 -6.991 502 H THR 6 H THR 70 -1.091 6.231 -12.542 503 HA THR 6 HA THR 70 -3.699 7.514 -12.663 504 HB THR 6 HB THR 70 -3.563 6.988 -15.091 505 HG1 THR 6 HG1 THR 70 -2.390 5.126 -15.218 506 HG21 THR 6 HG21 THR 70 -0.987 8.178 -13.969 507 HG22 THR 6 HG22 THR 70 -2.519 9.049 -14.182 508 HG23 THR 6 HG23 THR 70 -1.655 8.418 -15.594 509 H ALA 7 H ALA 71 -2.678 4.136 -12.559 510 HA ALA 7 HA ALA 71 -5.185 2.997 -13.423 511 HB1 ALA 7 HB1 ALA 71 -3.056 1.775 -13.517 512 HB2 ALA 7 HB2 ALA 71 -4.240 0.905 -12.528 513 HB3 ALA 7 HB3 ALA 71 -2.932 1.813 -11.737 514 H ARG 8 H ARG 72 -6.837 2.047 -12.216 515 HA ARG 8 HA ARG 72 -7.563 3.301 -9.670 516 HB2 ARG 8 HB2 ARG 72 -8.905 1.136 -11.335 517 HB3 ARG 8 HB3 ARG 72 -9.565 1.812 -9.843 518 HG2 ARG 8 HG2 ARG 72 -9.599 4.084 -10.877 519 HG3 ARG 8 HG3 ARG 72 -8.962 3.399 -12.378 520 HD2 ARG 8 HD2 ARG 72 -11.316 3.665 -12.644 521 HD3 ARG 8 HD3 ARG 72 -10.972 1.931 -12.538 522 HE ARG 8 HE ARG 72 -11.616 3.010 -9.943 523 HH11 ARG 8 HH11 ARG 72 -13.231 2.114 -12.919 524 HH12 ARG 8 HH12 ARG 72 -14.745 1.799 -12.115 525 HH21 ARG 8 HH21 ARG 72 -13.575 2.574 -8.973 526 HH22 ARG 8 HH22 ARG 72 -14.925 2.055 -9.937 Start of MODEL 6 1 H1 GLY 811 H1 GLY 1 -5.043 24.732 -3.584 2 H2 GLY 811 H2 GLY 1 -3.634 24.460 -2.799 3 H3 GLY 811 H3 GLY 1 -4.157 25.996 -3.038 4 HA2 GLY 811 HA2 GLY 1 -6.070 25.645 -1.608 5 HA3 GLY 811 HA3 GLY 1 -5.522 23.981 -1.347 6 HA PRO 812 HA PRO 2 -3.747 27.257 1.666 7 HB2 PRO 812 HB2 PRO 2 -5.550 25.900 3.663 8 HB3 PRO 812 HB3 PRO 2 -5.103 27.626 3.531 9 HG2 PRO 812 HG2 PRO 2 -7.518 26.780 2.652 10 HG3 PRO 812 HG3 PRO 2 -6.566 27.942 1.666 11 HD2 PRO 812 HD2 PRO 2 -6.789 24.931 1.334 12 HD3 PRO 812 HD3 PRO 2 -6.939 26.222 0.107 13 H LEU 813 H LEU 3 -2.045 26.930 3.035 14 HA LEU 813 HA LEU 3 -0.618 24.519 3.055 15 HB2 LEU 813 HB2 LEU 3 -0.359 26.822 5.029 16 HB3 LEU 813 HB3 LEU 3 0.880 25.634 4.643 17 HG LEU 813 HG LEU 3 -0.197 27.768 2.749 18 HD11 LEU 813 HD11 LEU 3 2.493 27.477 4.146 19 HD12 LEU 813 HD12 LEU 3 1.217 28.646 4.565 20 HD13 LEU 813 HD13 LEU 3 2.036 28.756 3.001 21 HD21 LEU 813 HD21 LEU 3 1.660 27.108 1.257 22 HD22 LEU 813 HD22 LEU 3 0.507 25.785 1.472 23 HD23 LEU 813 HD23 LEU 3 2.055 25.757 2.344 24 H GLY 814 H GLY 4 -3.071 25.521 5.343 25 HA2 GLY 814 HA2 GLY 4 -2.428 23.349 7.271 26 HA3 GLY 814 HA3 GLY 4 -3.615 24.635 7.473 27 H SER 815 H SER 5 -3.990 23.278 4.393 28 HA SER 815 HA SER 5 -6.102 21.390 5.212 29 HB2 SER 815 HB2 SER 5 -6.545 23.736 3.339 30 HB3 SER 815 HB3 SER 5 -7.747 22.514 3.801 31 HG SER 815 HG SER 5 -8.020 24.381 5.068 32 H VAL 816 H VAL 6 -3.436 21.167 3.817 33 HA VAL 816 HA VAL 6 -3.624 20.847 1.038 34 HB VAL 816 HB VAL 6 -1.814 19.609 3.147 35 HG11 VAL 816 HG11 VAL 6 -1.422 18.473 1.119 36 HG12 VAL 816 HG12 VAL 6 -0.067 19.533 1.527 37 HG13 VAL 816 HG13 VAL 6 -1.210 20.038 0.249 38 HG21 VAL 816 HG21 VAL 6 -0.371 21.480 2.891 39 HG22 VAL 816 HG22 VAL 6 -1.936 22.158 3.191 40 HG23 VAL 816 HG23 VAL 6 -1.332 22.138 1.525 41 H GLN 817 H GLN 7 -4.259 19.248 -0.277 42 HA GLN 817 HA GLN 7 -5.313 16.754 0.992 43 HB2 GLN 817 HB2 GLN 7 -6.716 16.627 -1.019 44 HB3 GLN 817 HB3 GLN 7 -7.036 18.028 0.013 45 HG2 GLN 817 HG2 GLN 7 -6.754 19.473 -1.631 46 HG3 GLN 817 HG3 GLN 7 -5.160 18.856 -1.996 47 HE21 GLN 817 HE21 GLN 7 -5.107 16.771 -3.327 48 HE22 GLN 817 HE22 GLN 7 -6.289 16.670 -4.642 49 H HIS 818 H HIS 8 -4.092 15.000 0.803 50 HA HIS 818 HA HIS 8 -2.467 14.657 -1.693 51 HB2 HIS 818 HB2 HIS 8 -1.954 14.053 1.182 52 HB3 HIS 818 HB3 HIS 8 -1.349 12.945 -0.044 53 HD2 HIS 818 HD2 HIS 8 -0.359 16.131 1.562 54 HE1 HIS 818 HE1 HIS 8 1.606 16.250 -2.210 55 HE2 HIS 818 HE2 HIS 8 1.393 17.397 0.004 56 H VAL 819 H VAL 9 -4.396 14.068 -2.733 57 HA VAL 819 HA VAL 9 -5.672 11.513 -2.365 58 HB VAL 819 HB VAL 9 -5.490 13.303 -4.778 59 HG11 VAL 819 HG11 VAL 9 -6.077 11.002 -5.455 60 HG12 VAL 819 HG12 VAL 9 -7.482 12.069 -5.560 61 HG13 VAL 819 HG13 VAL 9 -7.333 10.946 -4.191 62 HG21 VAL 819 HG21 VAL 9 -7.649 12.907 -2.643 63 HG22 VAL 819 HG22 VAL 9 -7.809 13.929 -4.088 64 HG23 VAL 819 HG23 VAL 9 -6.643 14.358 -2.835 65 H GLY 820 H GLY 10 -4.500 9.764 -2.223 66 HA2 GLY 820 HA2 GLY 10 -3.237 8.058 -3.573 67 HA3 GLY 820 HA3 GLY 10 -2.135 9.357 -4.005 68 H PHE 821 H PHE 11 -2.735 10.127 -0.834 69 HA PHE 821 HA PHE 11 -0.928 8.013 0.308 70 HB2 PHE 821 HB2 PHE 11 -0.862 10.910 1.155 71 HB3 PHE 821 HB3 PHE 11 0.217 9.616 1.636 72 HD1 PHE 821 HD1 PHE 11 1.027 8.505 -1.080 73 HD2 PHE 821 HD2 PHE 11 0.689 12.494 0.453 74 HE1 PHE 821 HE1 PHE 11 2.619 9.311 -2.806 75 HE2 PHE 821 HE2 PHE 11 2.205 13.317 -1.300 76 HZ PHE 821 HZ PHE 11 3.172 11.769 -2.926 77 H LYS 822 H LYS 12 -2.605 6.827 1.123 78 HA LYS 822 HA LYS 12 -4.500 7.983 3.164 79 HB2 LYS 822 HB2 LYS 12 -5.638 6.449 2.043 80 HB3 LYS 822 HB3 LYS 12 -4.282 5.495 1.590 81 HG2 LYS 822 HG2 LYS 12 -5.102 5.389 4.527 82 HG3 LYS 822 HG3 LYS 12 -6.197 4.763 3.360 83 HD2 LYS 822 HD2 LYS 12 -4.366 3.312 2.387 84 HD3 LYS 822 HD3 LYS 12 -3.266 3.979 3.602 85 HE2 LYS 822 HE2 LYS 12 -3.951 1.801 4.278 86 HE3 LYS 822 HE3 LYS 12 -4.591 3.010 5.401 87 HZ1 LYS 822 HZ1 LYS 12 -6.252 1.284 4.791 88 HZ2 LYS 822 HZ2 LYS 12 -6.192 1.712 3.224 89 HZ3 LYS 822 HZ3 LYS 12 -6.787 2.756 4.346 90 H CYS 823 H CYS 13 -4.119 7.716 5.394 91 HA CYS 823 HA CYS 13 -1.448 7.467 6.388 92 HB2 CYS 823 HB2 CYS 13 -3.322 8.757 7.386 93 HB3 CYS 823 HB3 CYS 13 -4.150 7.224 7.699 94 H ASP 824 H ASP 14 -0.477 5.874 7.544 95 HA ASP 824 HA ASP 14 -1.373 3.038 7.183 96 HB2 ASP 824 HB2 ASP 14 1.266 4.333 7.992 97 HB3 ASP 824 HB3 ASP 14 0.981 2.613 8.025 98 H ASN 825 H ASN 15 -0.777 5.464 9.649 99 HA ASN 825 HA ASN 15 -0.584 3.649 11.850 100 HB2 ASN 825 HB2 ASN 15 0.318 5.967 11.680 101 HB3 ASN 825 HB3 ASN 15 -1.323 6.591 11.847 102 HD21 ASN 825 HD21 ASN 15 -1.433 7.412 13.897 103 HD22 ASN 825 HD22 ASN 15 -0.915 6.543 15.354 104 H CYS 826 H CYS 16 -3.347 5.837 10.984 105 HA CYS 826 HA CYS 16 -5.143 4.033 12.497 106 HB2 CYS 826 HB2 CYS 16 -6.599 5.827 12.805 107 HB3 CYS 826 HB3 CYS 16 -4.998 6.486 13.113 108 H GLY 827 H GLY 17 -4.414 4.926 9.206 109 HA2 GLY 827 HA2 GLY 17 -5.051 3.679 7.402 110 HA3 GLY 827 HA3 GLY 17 -6.429 3.039 8.255 111 H ILE 828 H ILE 18 -6.277 6.456 8.703 112 HA ILE 828 HA ILE 18 -8.605 6.976 7.275 113 HB ILE 828 HB ILE 18 -7.842 8.437 9.034 114 HG12 ILE 828 HG12 ILE 18 -7.938 9.993 6.412 115 HG13 ILE 828 HG13 ILE 18 -9.346 9.222 7.125 116 HG21 ILE 828 HG21 ILE 18 -6.025 10.102 8.726 117 HG22 ILE 828 HG22 ILE 18 -5.586 9.357 7.181 118 HG23 ILE 828 HG23 ILE 18 -5.404 8.479 8.710 119 HD11 ILE 828 HD11 ILE 18 -7.748 11.499 8.352 120 HD12 ILE 828 HD12 ILE 18 -9.055 10.618 9.184 121 HD13 ILE 828 HD13 ILE 18 -9.396 11.545 7.712 122 H GLU 829 H GLU 19 -9.061 7.658 5.305 123 HA GLU 829 HA GLU 19 -7.529 6.970 3.043 124 HB2 GLU 829 HB2 GLU 19 -9.601 9.026 2.752 125 HB3 GLU 829 HB3 GLU 19 -9.406 7.525 1.866 126 HG2 GLU 829 HG2 GLU 19 -10.769 7.858 4.545 127 HG3 GLU 829 HG3 GLU 19 -11.521 7.499 2.999 128 HA PRO 830 HA PRO 20 -5.046 10.085 1.356 129 HB2 PRO 830 HB2 PRO 20 -7.437 11.654 0.331 130 HB3 PRO 830 HB3 PRO 20 -5.798 11.595 -0.337 131 HG2 PRO 830 HG2 PRO 20 -7.670 9.930 -1.292 132 HG3 PRO 830 HG3 PRO 20 -6.027 9.291 -0.934 133 HD2 PRO 830 HD2 PRO 20 -8.569 9.054 0.632 134 HD3 PRO 830 HD3 PRO 20 -7.212 7.887 0.509 135 H ILE 831 H ILE 21 -3.954 11.097 2.851 136 HA ILE 831 HA ILE 21 -5.043 12.392 5.053 137 HB ILE 831 HB ILE 21 -2.236 12.566 3.915 138 HG12 ILE 831 HG12 ILE 21 -3.201 10.949 6.320 139 HG13 ILE 831 HG13 ILE 21 -3.259 10.275 4.705 140 HG21 ILE 831 HG21 ILE 21 -1.525 13.259 6.212 141 HG22 ILE 831 HG22 ILE 21 -3.220 13.363 6.700 142 HG23 ILE 831 HG23 ILE 21 -2.554 14.464 5.464 143 HD11 ILE 831 HD11 ILE 21 -0.870 10.548 4.389 144 HD12 ILE 831 HD12 ILE 21 -1.227 9.591 5.849 145 HD13 ILE 831 HD13 ILE 21 -0.705 11.268 6.002 146 H GLN 832 H GLN 22 -5.501 14.332 5.719 147 HA GLN 832 HA GLN 22 -5.438 16.565 3.760 148 HB2 GLN 832 HB2 GLN 22 -7.307 16.160 6.116 149 HB3 GLN 832 HB3 GLN 22 -7.364 17.459 4.925 150 HG2 GLN 832 HG2 GLN 22 -7.834 14.504 4.327 151 HG3 GLN 832 HG3 GLN 22 -9.081 15.711 4.551 152 HE21 GLN 832 HE21 GLN 22 -7.566 14.049 2.145 153 HE22 GLN 832 HE22 GLN 22 -7.853 15.223 0.854 154 H GLY 833 H GLY 23 -4.584 18.481 4.339 155 HA2 GLY 833 HA2 GLY 23 -4.148 20.240 6.002 156 HA3 GLY 833 HA3 GLY 23 -3.783 19.019 7.164 157 H VAL 834 H VAL 24 -2.015 17.461 6.405 158 HA VAL 834 HA VAL 24 0.177 18.551 4.860 159 HB VAL 834 HB VAL 24 0.177 19.639 7.134 160 HG11 VAL 834 HG11 VAL 24 -0.618 17.792 8.450 161 HG12 VAL 834 HG12 VAL 24 0.873 18.508 9.090 162 HG13 VAL 834 HG13 VAL 24 0.960 16.958 8.209 163 HG21 VAL 834 HG21 VAL 24 2.593 17.880 6.536 164 HG22 VAL 834 HG22 VAL 24 2.587 19.268 7.640 165 HG23 VAL 834 HG23 VAL 24 2.304 19.536 5.924 166 H ARG 835 H ARG 25 1.427 16.811 4.072 167 HA ARG 835 HA ARG 25 0.665 14.051 4.959 168 HB2 ARG 835 HB2 ARG 25 1.006 14.508 2.525 169 HB3 ARG 835 HB3 ARG 25 2.675 14.970 2.855 170 HG2 ARG 835 HG2 ARG 25 2.717 12.454 3.916 171 HG3 ARG 835 HG3 ARG 25 1.377 12.257 2.794 172 HD2 ARG 835 HD2 ARG 25 2.945 13.123 0.971 173 HD3 ARG 835 HD3 ARG 25 4.228 13.162 2.180 174 HE ARG 835 HE ARG 25 3.017 10.575 2.256 175 HH11 ARG 835 HH11 ARG 25 5.127 12.208 -0.067 176 HH12 ARG 835 HH12 ARG 25 5.819 10.680 -0.527 177 HH21 ARG 835 HH21 ARG 25 3.813 8.876 1.642 178 HH22 ARG 835 HH22 ARG 25 5.119 8.745 0.471 179 H TRP 836 H TRP 26 1.957 12.845 6.397 180 HA TRP 836 HA TRP 26 4.697 13.900 6.968 181 HB2 TRP 836 HB2 TRP 26 2.996 12.082 8.698 182 HB3 TRP 836 HB3 TRP 26 4.677 12.424 8.913 183 HD1 TRP 836 HD1 TRP 26 1.368 14.353 9.114 184 HE1 TRP 836 HE1 TRP 26 1.796 16.452 10.583 185 HE3 TRP 836 HE3 TRP 26 6.448 14.266 9.216 186 HZ2 TRP 836 HZ2 TRP 26 4.032 17.693 11.883 187 HZ3 TRP 836 HZ3 TRP 26 7.729 15.800 10.677 188 HH2 TRP 836 HH2 TRP 26 6.538 17.480 12.058 189 H HIS 837 H HIS 27 5.925 13.155 5.549 190 HA HIS 837 HA HIS 27 5.778 10.374 4.469 191 HB2 HIS 837 HB2 HIS 27 5.984 12.031 2.774 192 HB3 HIS 837 HB3 HIS 27 7.210 12.928 3.672 193 HD2 HIS 837 HD2 HIS 27 9.630 12.548 2.951 194 HE1 HIS 837 HE1 HIS 27 9.266 8.790 0.978 195 HE2 HIS 837 HE2 HIS 27 10.855 10.694 1.543 196 H CYS 838 H CYS 28 6.901 8.861 5.503 197 HA CYS 838 HA CYS 28 8.892 9.301 7.470 198 HB2 CYS 838 HB2 CYS 28 7.869 7.050 5.806 199 HB3 CYS 838 HB3 CYS 28 9.472 6.865 6.564 200 H GLN 839 H GLN 29 11.023 9.790 7.403 201 HA GLN 839 HA GLN 29 12.206 10.424 4.829 202 HB2 GLN 839 HB2 GLN 29 13.348 10.585 7.639 203 HB3 GLN 839 HB3 GLN 29 14.131 11.183 6.184 204 HG2 GLN 839 HG2 GLN 29 11.832 12.477 5.823 205 HG3 GLN 839 HG3 GLN 29 11.645 12.230 7.552 206 HE21 GLN 839 HE21 GLN 29 11.822 14.483 8.135 207 HE22 GLN 839 HE22 GLN 29 13.246 15.419 7.734 208 H ASP 840 H ASP 30 12.715 7.862 7.232 209 HA ASP 840 HA ASP 30 15.150 6.926 5.776 210 HB2 ASP 840 HB2 ASP 30 15.240 7.414 8.184 211 HB3 ASP 840 HB3 ASP 30 14.013 6.194 8.475 212 H CYS 841 H CYS 31 11.859 5.855 6.582 213 HA CYS 841 HA CYS 31 12.182 3.155 5.773 214 HB2 CYS 841 HB2 CYS 31 9.639 4.818 5.799 215 HB3 CYS 841 HB3 CYS 31 9.760 3.083 5.677 216 HA PRO 842 HA PRO 32 13.111 3.781 1.578 217 HB2 PRO 842 HB2 PRO 32 12.724 1.331 0.427 218 HB3 PRO 842 HB3 PRO 32 13.943 1.617 1.702 219 HG2 PRO 842 HG2 PRO 32 11.118 0.542 2.038 220 HG3 PRO 842 HG3 PRO 32 12.643 -0.162 2.662 221 HD2 PRO 842 HD2 PRO 32 11.049 1.454 4.199 222 HD3 PRO 842 HD3 PRO 32 12.826 1.482 4.337 223 HA PRO 843 HA PRO 33 9.757 4.991 -1.033 224 HB2 PRO 843 HB2 PRO 33 11.166 3.545 -3.298 225 HB3 PRO 843 HB3 PRO 33 10.445 5.181 -3.284 226 HG2 PRO 843 HG2 PRO 33 13.107 4.915 -2.999 227 HG3 PRO 843 HG3 PRO 33 12.228 6.022 -1.895 228 HD2 PRO 843 HD2 PRO 33 13.138 3.181 -1.373 229 HD3 PRO 843 HD3 PRO 33 13.294 4.632 -0.338 230 H GLU 844 H GLU 34 10.649 1.569 -1.485 231 HA GLU 844 HA GLU 34 8.224 0.558 -2.557 232 HB2 GLU 844 HB2 GLU 34 10.359 -0.657 -2.415 233 HB3 GLU 844 HB3 GLU 34 10.240 -0.722 -0.649 234 HG2 GLU 844 HG2 GLU 34 8.236 -2.129 -0.789 235 HG3 GLU 844 HG3 GLU 34 8.212 -1.978 -2.548 236 H MET 845 H MET 35 9.053 1.484 0.709 237 HA MET 845 HA MET 35 6.317 0.926 1.728 238 HB2 MET 845 HB2 MET 35 8.983 0.500 3.112 239 HB3 MET 845 HB3 MET 35 7.479 0.695 4.010 240 HG2 MET 845 HG2 MET 35 7.910 -1.427 1.883 241 HG3 MET 845 HG3 MET 35 8.146 -1.678 3.610 242 HE1 MET 845 HE1 MET 35 6.310 -1.931 5.406 243 HE2 MET 845 HE2 MET 35 4.580 -1.630 5.131 244 HE3 MET 845 HE3 MET 35 5.722 -0.273 5.113 245 H SER 846 H SER 36 6.758 3.164 0.347 246 HA SER 846 HA SER 36 7.548 5.413 1.951 247 HB2 SER 846 HB2 SER 36 7.315 5.553 -0.496 248 HB3 SER 846 HB3 SER 36 5.567 5.338 -0.339 249 HG SER 846 HG SER 36 7.172 7.521 0.536 250 H LEU 847 H LEU 37 6.806 5.269 3.925 251 HA LEU 847 HA LEU 37 4.066 4.666 4.655 252 HB2 LEU 847 HB2 LEU 37 6.727 4.976 6.032 253 HB3 LEU 847 HB3 LEU 37 5.302 5.168 6.997 254 HG LEU 847 HG LEU 37 5.422 2.723 5.163 255 HD11 LEU 847 HD11 LEU 37 6.823 1.530 6.867 256 HD12 LEU 847 HD12 LEU 37 7.356 3.182 7.360 257 HD13 LEU 847 HD13 LEU 37 7.605 2.605 5.729 258 HD21 LEU 847 HD21 LEU 37 3.535 2.699 6.486 259 HD22 LEU 847 HD22 LEU 37 4.353 3.278 7.932 260 HD23 LEU 847 HD23 LEU 37 4.612 1.610 7.322 261 H ASP 848 H ASP 38 2.682 5.873 5.915 262 HA ASP 848 HA ASP 38 2.999 8.830 5.777 263 HB2 ASP 848 HB2 ASP 38 0.567 7.237 4.945 264 HB3 ASP 848 HB3 ASP 38 0.764 8.985 4.922 265 H PHE 849 H PHE 39 2.153 9.995 7.408 266 HA PHE 849 HA PHE 39 0.153 8.749 9.208 267 HB2 PHE 849 HB2 PHE 39 2.405 10.508 10.243 268 HB3 PHE 849 HB3 PHE 39 1.125 9.779 11.145 269 HD1 PHE 849 HD1 PHE 39 1.533 7.800 12.303 270 HD2 PHE 849 HD2 PHE 39 4.068 8.705 8.909 271 HE1 PHE 849 HE1 PHE 39 2.781 5.701 12.659 272 HE2 PHE 849 HE2 PHE 39 5.285 6.692 9.289 273 HZ PHE 849 HZ PHE 39 4.634 5.035 11.125 274 H CYS 850 H CYS 40 -1.594 10.068 9.639 275 HA CYS 850 HA CYS 40 -1.819 12.512 8.204 276 HB2 CYS 850 HB2 CYS 40 -3.927 12.717 9.326 277 HB3 CYS 850 HB3 CYS 40 -3.805 11.157 8.528 278 H ASP 851 H ASP 41 -2.593 14.584 9.224 279 HA ASP 851 HA ASP 41 -0.794 15.746 11.035 280 HB2 ASP 851 HB2 ASP 41 -2.304 17.531 11.119 281 HB3 ASP 851 HB3 ASP 41 -2.361 16.916 9.472 282 H SER 852 H SER 42 -3.334 13.573 11.772 283 HA SER 852 HA SER 42 -3.489 14.318 14.617 284 HB2 SER 852 HB2 SER 42 -5.513 13.562 13.234 285 HB3 SER 852 HB3 SER 42 -4.832 11.932 13.348 286 HG SER 852 HG SER 42 -6.323 12.410 15.069 287 H CYS 853 H CYS 43 -2.398 11.572 12.610 288 HA CYS 853 HA CYS 43 -1.428 9.962 14.783 289 HB2 CYS 853 HB2 CYS 43 -1.472 9.890 11.781 290 HB3 CYS 853 HB3 CYS 43 -0.594 8.695 12.650 291 H SER 854 H SER 44 -0.003 12.403 12.704 292 HA SER 854 HA SER 44 2.678 11.540 12.646 293 HB2 SER 854 HB2 SER 44 3.210 13.791 12.068 294 HB3 SER 854 HB3 SER 44 1.660 13.364 11.372 295 HG SER 854 HG SER 44 2.176 15.126 13.546 296 H ASP 855 H ASP 45 0.973 12.636 15.435 297 HA ASP 855 HA ASP 45 3.259 13.379 17.051 298 HB2 ASP 855 HB2 ASP 45 0.871 14.108 17.421 299 HB3 ASP 855 HB3 ASP 45 0.481 12.451 17.878 300 H CYS 856 H CYS 46 2.107 10.403 15.831 301 HA CYS 856 HA CYS 46 2.767 8.658 18.022 302 HB2 CYS 856 HB2 CYS 46 1.053 8.288 16.045 303 HB3 CYS 856 HB3 CYS 46 2.481 7.905 15.090 304 HG CYS 856 HG CYS 46 1.343 6.461 17.867 305 H LEU 857 H LEU 47 4.402 7.077 17.961 306 HA LEU 857 HA LEU 47 6.715 7.479 16.143 307 HB2 LEU 857 HB2 LEU 47 7.277 8.548 18.261 308 HB3 LEU 857 HB3 LEU 47 6.919 7.071 19.151 309 HG LEU 857 HG LEU 47 8.801 5.913 18.121 310 HD11 LEU 857 HD11 LEU 47 9.024 8.425 16.413 311 HD12 LEU 857 HD12 LEU 47 8.900 6.725 15.883 312 HD13 LEU 857 HD13 LEU 47 10.385 7.320 16.637 313 HD21 LEU 857 HD21 LEU 47 9.589 8.731 19.004 314 HD22 LEU 857 HD22 LEU 47 10.643 7.299 19.015 315 HD23 LEU 857 HD23 LEU 47 9.238 7.363 20.085 316 H HIS 858 H HIS 48 6.127 5.836 14.859 317 HA HIS 858 HA HIS 48 5.401 3.218 16.058 318 HB2 HIS 858 HB2 HIS 48 3.672 4.486 14.791 319 HB3 HIS 858 HB3 HIS 48 4.701 4.375 13.361 320 HD2 HIS 858 HD2 HIS 48 3.922 2.503 11.784 321 HE1 HIS 858 HE1 HIS 48 2.342 -0.275 14.614 322 HE2 HIS 858 HE2 HIS 48 2.704 0.184 12.136 323 H GLU 859 H GLU 49 5.839 1.279 15.033 324 HA GLU 859 HA GLU 49 8.117 1.185 13.202 325 HB2 GLU 859 HB2 GLU 49 8.182 -0.592 15.655 326 HB3 GLU 859 HB3 GLU 49 9.434 -0.250 14.523 327 HG2 GLU 859 HG2 GLU 49 9.484 2.130 15.368 328 HG3 GLU 859 HG3 GLU 49 8.313 1.672 16.593 329 H THR 860 H THR 50 8.182 -0.600 11.908 330 HA THR 860 HA THR 50 6.178 -2.796 12.324 331 HB THR 860 HB THR 50 5.597 -2.943 10.075 332 HG1 THR 860 HG1 THR 50 6.581 -1.768 8.454 333 HG21 THR 860 HG21 THR 50 5.564 0.041 10.797 334 HG22 THR 860 HG22 THR 50 4.313 -1.166 11.068 335 HG23 THR 860 HG23 THR 50 4.725 -0.689 9.409 336 H ASP 861 H ASP 51 7.423 -4.043 9.803 337 HA ASP 861 HA ASP 51 9.728 -5.353 11.020 338 HB2 ASP 861 HB2 ASP 51 8.468 -5.564 8.322 339 HB3 ASP 861 HB3 ASP 51 9.808 -6.548 8.875 340 H ILE 862 H ILE 52 9.051 -2.841 8.687 341 HA ILE 862 HA ILE 52 11.925 -2.413 8.162 342 HB ILE 862 HB ILE 52 9.503 -1.703 6.515 343 HG12 ILE 862 HG12 ILE 52 11.918 -3.591 6.266 344 HG13 ILE 862 HG13 ILE 52 10.228 -4.073 6.448 345 HG21 ILE 862 HG21 ILE 52 11.057 0.166 6.413 346 HG22 ILE 862 HG22 ILE 52 11.197 -0.769 4.927 347 HG23 ILE 862 HG23 ILE 52 12.432 -0.942 6.211 348 HD11 ILE 862 HD11 ILE 52 9.743 -3.057 4.242 349 HD12 ILE 862 HD12 ILE 52 10.869 -4.433 4.201 350 HD13 ILE 862 HD13 ILE 52 11.500 -2.788 4.037 351 H HIS 863 H HIS 53 8.869 -0.874 9.158 352 HA HIS 863 HA HIS 53 10.042 1.746 9.431 353 HB2 HIS 863 HB2 HIS 53 8.026 1.855 8.797 354 HB3 HIS 863 HB3 HIS 53 7.324 0.549 9.481 355 HD1 HIS 863 HD1 HIS 53 5.364 2.331 9.662 356 HD2 HIS 863 HD2 HIS 53 8.896 3.351 11.579 357 HE1 HIS 863 HE1 HIS 53 6.008 4.625 8.848 358 H LYS 864 H LYS 54 10.983 2.691 11.142 359 HA LYS 864 HA LYS 54 10.872 1.366 13.789 360 HB2 LYS 864 HB2 LYS 54 13.491 2.039 12.399 361 HB3 LYS 864 HB3 LYS 54 13.270 1.408 14.002 362 HG2 LYS 864 HG2 LYS 54 12.502 -0.087 11.432 363 HG3 LYS 864 HG3 LYS 54 13.960 -0.347 12.333 364 HD2 LYS 864 HD2 LYS 54 12.865 -1.422 14.133 365 HD3 LYS 864 HD3 LYS 54 11.329 -0.791 13.705 366 HE2 LYS 864 HE2 LYS 54 11.315 -3.058 13.041 367 HE3 LYS 864 HE3 LYS 54 11.338 -2.080 11.585 368 HZ1 LYS 864 HZ1 LYS 54 12.898 -3.893 11.353 369 HZ2 LYS 864 HZ2 LYS 54 13.672 -3.533 12.755 370 HZ3 LYS 864 HZ3 LYS 54 13.793 -2.534 11.460 371 H GLU 865 H GLU 55 11.597 2.636 15.559 372 HA GLU 865 HA GLU 55 11.087 5.449 15.275 373 HB2 GLU 865 HB2 GLU 55 11.284 5.510 17.661 374 HB3 GLU 865 HB3 GLU 55 10.395 4.065 17.212 375 HG2 GLU 865 HG2 GLU 55 12.623 2.805 17.507 376 HG3 GLU 865 HG3 GLU 55 13.307 4.304 18.109 377 H ASP 866 H ASP 56 13.736 3.966 14.294 378 HA ASP 866 HA ASP 56 15.933 5.311 15.506 379 HB2 ASP 866 HB2 ASP 56 15.602 3.809 12.950 380 HB3 ASP 866 HB3 ASP 56 17.142 4.422 13.511 381 H HIS 867 H HIS 57 13.583 6.372 13.248 382 HA HIS 867 HA HIS 57 15.411 8.201 11.824 383 HB2 HIS 867 HB2 HIS 57 13.864 8.002 10.083 384 HB3 HIS 867 HB3 HIS 57 14.300 6.437 10.684 385 HD1 HIS 867 HD1 HIS 57 11.303 8.555 12.163 386 HD2 HIS 867 HD2 HIS 57 12.349 5.217 9.864 387 HE1 HIS 867 HE1 HIS 57 9.121 7.686 11.176 388 H GLN 868 H GLN 58 13.352 9.615 10.659 389 HA GLN 868 HA GLN 58 11.810 11.183 12.546 390 HB2 GLN 868 HB2 GLN 58 12.648 13.361 11.764 391 HB3 GLN 868 HB3 GLN 58 13.898 12.456 12.598 392 HG2 GLN 868 HG2 GLN 58 13.682 12.551 9.552 393 HG3 GLN 868 HG3 GLN 58 14.598 13.720 10.499 394 HE21 GLN 868 HE21 GLN 58 16.351 12.703 12.004 395 HE22 GLN 868 HE22 GLN 58 17.180 11.320 11.301 396 H LEU 869 H LEU 59 10.245 12.606 11.393 397 HA LEU 869 HA LEU 59 9.436 11.485 8.736 398 HB2 LEU 869 HB2 LEU 59 7.813 13.040 10.780 399 HB3 LEU 869 HB3 LEU 59 7.235 12.284 9.289 400 HG LEU 869 HG LEU 59 6.451 11.102 11.140 401 HD11 LEU 869 HD11 LEU 59 7.118 8.834 10.564 402 HD12 LEU 869 HD12 LEU 59 8.604 9.445 9.811 403 HD13 LEU 869 HD13 LEU 59 7.005 9.824 9.118 404 HD21 LEU 869 HD21 LEU 59 8.214 11.597 12.819 405 HD22 LEU 869 HD22 LEU 59 9.203 10.302 12.089 406 HD23 LEU 869 HD23 LEU 59 7.628 9.928 12.794 407 H GLU 870 H GLU 60 8.569 12.927 7.157 408 HA GLU 870 HA GLU 60 9.535 15.759 7.362 409 HB2 GLU 870 HB2 GLU 60 10.745 14.448 5.722 410 HB3 GLU 870 HB3 GLU 60 9.241 13.932 4.976 411 HG2 GLU 870 HG2 GLU 60 10.298 15.558 3.640 412 HG3 GLU 870 HG3 GLU 60 8.778 16.222 4.245 413 HA PRO 871 HA PRO 61 5.076 16.540 6.880 414 HB2 PRO 871 HB2 PRO 61 5.029 19.168 7.558 415 HB3 PRO 871 HB3 PRO 61 5.194 17.864 8.766 416 HG2 PRO 871 HG2 PRO 61 7.352 19.623 7.595 417 HG3 PRO 871 HG3 PRO 61 7.151 19.085 9.290 418 HD2 PRO 871 HD2 PRO 61 8.847 17.909 7.411 419 HD3 PRO 871 HD3 PRO 61 8.218 17.069 8.850 420 H ILE 872 H ILE 62 3.980 17.196 4.992 421 HA ILE 872 HA ILE 62 5.412 19.048 3.132 422 HB ILE 872 HB ILE 62 3.487 17.022 2.155 423 HG12 ILE 872 HG12 ILE 62 6.380 16.578 2.952 424 HG13 ILE 872 HG13 ILE 62 4.950 15.554 3.228 425 HG21 ILE 872 HG21 ILE 62 4.258 19.063 0.813 426 HG22 ILE 872 HG22 ILE 62 4.633 17.521 0.056 427 HG23 ILE 872 HG23 ILE 62 5.906 18.423 0.905 428 HD11 ILE 872 HD11 ILE 62 6.440 16.024 0.657 429 HD12 ILE 872 HD12 ILE 62 4.895 15.132 0.768 430 HD13 ILE 872 HD13 ILE 62 6.354 14.518 1.603 431 H TYR 873 H TYR 63 4.465 20.879 2.975 432 HA TYR 873 HA TYR 63 1.751 21.302 3.980 433 HB2 TYR 873 HB2 TYR 63 4.071 23.200 3.482 434 HB3 TYR 873 HB3 TYR 63 2.499 23.686 4.085 435 HD1 TYR 873 HD1 TYR 63 1.612 22.648 6.256 436 HD2 TYR 873 HD2 TYR 63 5.744 22.414 5.030 437 HE1 TYR 873 HE1 TYR 63 2.269 22.127 8.591 438 HE2 TYR 873 HE2 TYR 63 6.402 21.898 7.376 439 HH TYR 873 HH TYR 63 4.025 21.741 10.054 440 H ARG 874 H ARG 64 2.523 20.317 1.251 441 HA ARG 874 HA ARG 64 0.601 21.774 -0.343 442 HB2 ARG 874 HB2 ARG 64 2.191 22.307 -2.185 443 HB3 ARG 874 HB3 ARG 64 2.470 23.248 -0.720 444 HG2 ARG 874 HG2 ARG 64 4.347 21.734 -0.093 445 HG3 ARG 874 HG3 ARG 64 4.092 20.794 -1.571 446 HD2 ARG 874 HD2 ARG 64 4.648 23.768 -1.468 447 HD3 ARG 874 HD3 ARG 64 5.918 22.530 -1.642 448 HE ARG 874 HE ARG 64 4.079 22.019 -3.692 449 HH11 ARG 874 HH11 ARG 64 6.254 24.650 -2.896 450 HH12 ARG 874 HH12 ARG 64 6.404 25.150 -4.558 451 HH21 ARG 874 HH21 ARG 64 4.306 22.719 -5.789 452 HH22 ARG 874 HH22 ARG 64 5.340 24.069 -6.152 453 H1 ALA 1 H1 ALA 65 0.454 4.100 4.071 454 H2 ALA 1 H2 ALA 65 -0.681 5.062 3.364 455 H3 ALA 1 H3 ALA 65 0.905 5.446 3.240 456 HA ALA 1 HA ALA 65 1.334 3.424 2.020 457 HB1 ALA 1 HB1 ALA 65 -0.548 2.160 1.075 458 HB2 ALA 1 HB2 ALA 65 -1.704 3.152 1.990 459 HB3 ALA 1 HB3 ALA 65 -0.559 2.079 2.838 460 H ARG 2 H ARG 66 2.122 4.360 0.388 461 HA ARG 2 HA ARG 66 1.120 6.353 -1.312 462 HB2 ARG 2 HB2 ARG 66 3.050 5.891 -2.646 463 HB3 ARG 2 HB3 ARG 66 3.468 5.747 -0.961 464 HG2 ARG 2 HG2 ARG 66 3.283 3.572 -3.057 465 HG3 ARG 2 HG3 ARG 66 4.653 4.049 -2.091 466 HD2 ARG 2 HD2 ARG 66 3.572 3.040 -0.074 467 HD3 ARG 2 HD3 ARG 66 2.216 2.504 -1.071 468 HE ARG 2 HE ARG 66 4.864 1.299 -0.874 469 HH11 ARG 2 HH11 ARG 66 2.125 1.521 -3.104 470 HH12 ARG 2 HH12 ARG 66 2.550 0.009 -3.849 471 HH21 ARG 2 HH21 ARG 66 5.313 -0.534 -1.862 472 HH22 ARG 2 HH22 ARG 66 4.317 -1.146 -3.170 473 H THR 3 H THR 67 -1.167 5.366 -1.441 474 HA THR 3 HA THR 67 -1.711 3.383 -3.497 475 HB THR 3 HB THR 67 -4.006 4.284 -3.444 476 HG1 THR 3 HG1 THR 67 -4.481 5.965 -2.037 477 HG21 THR 3 HG21 THR 67 -4.557 3.731 -1.143 478 HG22 THR 3 HG22 THR 67 -2.878 3.997 -0.623 479 HG23 THR 3 HG23 THR 67 -3.277 2.636 -1.701 480 HH31 ALY 4 H26 ALY 68 1.926 15.034 -4.499 481 HH32 ALY 4 H27 ALY 68 0.246 15.546 -4.210 482 HH33 ALY 4 H28 ALY 68 1.014 15.861 -5.781 483 HZ ALY 4 HZ1 ALY 68 0.945 12.981 -3.686 484 HE3 ALY 4 HE3 ALY 68 -0.095 10.929 -3.950 485 HE2 ALY 4 HE2 ALY 68 -0.828 11.495 -5.459 486 HD3 ALY 4 HD3 ALY 68 1.467 11.279 -6.546 487 HD2 ALY 4 HD2 ALY 68 2.025 10.461 -5.087 488 HG3 ALY 4 HG3 ALY 68 -0.354 9.569 -6.777 489 HG2 ALY 4 HG2 ALY 68 1.287 8.964 -7.012 490 HB3 ALY 4 HB3 ALY 68 1.317 7.858 -4.892 491 HB2 ALY 4 HB2 ALY 68 -0.094 8.725 -4.325 492 HCA ALY 4 HA ALY 68 -1.450 7.580 -6.170 493 H ALY 4 H ALY 68 -0.748 6.700 -3.633 494 H GLN 5 H GLN 69 1.050 5.124 -5.408 495 HA GLN 5 HA GLN 69 2.297 5.130 -8.011 496 HB2 GLN 5 HB2 GLN 69 2.252 3.045 -5.793 497 HB3 GLN 5 HB3 GLN 69 3.198 2.905 -7.283 498 HG2 GLN 5 HG2 GLN 69 4.368 5.042 -6.743 499 HG3 GLN 5 HG3 GLN 69 3.488 5.136 -5.217 500 HE21 GLN 5 HE21 GLN 69 6.066 5.247 -4.768 501 HE22 GLN 5 HE22 GLN 69 6.712 3.697 -4.255 502 H THR 6 H THR 70 1.589 4.401 -9.870 503 HA THR 6 HA THR 70 0.259 3.579 -11.485 504 HB THR 6 HB THR 70 -0.064 1.039 -9.862 505 HG1 THR 6 HG1 THR 70 2.122 1.643 -9.853 506 HG21 THR 6 HG21 THR 70 0.232 -0.029 -12.102 507 HG22 THR 6 HG22 THR 70 0.230 1.577 -12.862 508 HG23 THR 6 HG23 THR 70 -1.223 0.962 -12.054 509 H ALA 7 H ALA 71 -1.082 5.285 -9.680 510 HA ALA 7 HA ALA 71 -3.774 4.338 -9.205 511 HB1 ALA 7 HB1 ALA 71 -2.655 7.162 -9.445 512 HB2 ALA 7 HB2 ALA 71 -2.812 6.201 -7.950 513 HB3 ALA 7 HB3 ALA 71 -4.260 6.731 -8.820 514 H ARG 8 H ARG 72 -5.702 5.003 -10.276 515 HA ARG 8 HA ARG 72 -5.629 6.098 -13.006 516 HB2 ARG 8 HB2 ARG 72 -5.246 3.669 -13.314 517 HB3 ARG 8 HB3 ARG 72 -6.743 3.319 -12.440 518 HG2 ARG 8 HG2 ARG 72 -8.043 4.530 -14.178 519 HG3 ARG 8 HG3 ARG 72 -6.550 4.920 -15.040 520 HD2 ARG 8 HD2 ARG 72 -7.598 2.107 -14.491 521 HD3 ARG 8 HD3 ARG 72 -7.818 2.978 -16.003 522 HE ARG 8 HE ARG 72 -5.385 1.669 -15.022 523 HH11 ARG 8 HH11 ARG 72 -6.575 3.932 -17.426 524 HH12 ARG 8 HH12 ARG 72 -5.159 3.744 -18.428 525 HH21 ARG 8 HH21 ARG 72 -3.630 1.469 -16.353 526 HH22 ARG 8 HH22 ARG 72 -3.549 2.372 -17.838 Start of MODEL 7 1 H1 GLY 811 H1 GLY 1 -4.484 30.605 6.471 2 H2 GLY 811 H2 GLY 1 -3.990 29.107 6.913 3 H3 GLY 811 H3 GLY 1 -5.342 29.291 6.004 4 HA2 GLY 811 HA2 GLY 1 -4.059 30.145 4.143 5 HA3 GLY 811 HA3 GLY 1 -2.594 29.967 5.123 6 HA PRO 812 HA PRO 2 -4.117 26.125 2.688 7 HB2 PRO 812 HB2 PRO 2 -2.473 26.067 0.471 8 HB3 PRO 812 HB3 PRO 2 -4.007 26.979 0.556 9 HG2 PRO 812 HG2 PRO 2 -1.203 28.026 1.072 10 HG3 PRO 812 HG3 PRO 2 -2.464 28.720 0.002 11 HD2 PRO 812 HD2 PRO 2 -2.112 29.666 2.499 12 HD3 PRO 812 HD3 PRO 2 -3.764 29.440 1.851 13 H LEU 813 H LEU 3 -0.931 27.115 3.555 14 HA LEU 813 HA LEU 3 0.468 24.620 3.452 15 HB2 LEU 813 HB2 LEU 3 0.894 26.933 5.387 16 HB3 LEU 813 HB3 LEU 3 2.056 25.672 4.993 17 HG LEU 813 HG LEU 3 1.059 27.828 3.082 18 HD11 LEU 813 HD11 LEU 3 2.589 28.647 4.842 19 HD12 LEU 813 HD12 LEU 3 3.351 28.681 3.249 20 HD13 LEU 813 HD13 LEU 3 3.770 27.399 4.404 21 HD21 LEU 813 HD21 LEU 3 3.165 25.663 2.655 22 HD22 LEU 813 HD22 LEU 3 2.827 27.019 1.556 23 HD23 LEU 813 HD23 LEU 3 1.596 25.780 1.825 24 H GLY 814 H GLY 4 -1.991 25.660 5.683 25 HA2 GLY 814 HA2 GLY 4 -1.469 23.370 7.536 26 HA3 GLY 814 HA3 GLY 4 -2.515 24.749 7.850 27 H SER 815 H SER 5 -2.897 23.491 4.667 28 HA SER 815 HA SER 5 -5.186 21.782 5.332 29 HB2 SER 815 HB2 SER 5 -5.935 24.173 5.288 30 HB3 SER 815 HB3 SER 5 -5.474 24.246 3.580 31 HG SER 815 HG SER 5 -7.025 22.628 3.148 32 H VAL 816 H VAL 6 -2.527 21.397 4.086 33 HA VAL 816 HA VAL 6 -2.589 21.189 1.269 34 HB VAL 816 HB VAL 6 -0.927 19.803 3.420 35 HG11 VAL 816 HG11 VAL 6 0.855 19.656 1.857 36 HG12 VAL 816 HG12 VAL 6 -0.145 20.391 0.579 37 HG13 VAL 816 HG13 VAL 6 -0.567 18.785 1.259 38 HG21 VAL 816 HG21 VAL 6 0.635 21.608 3.261 39 HG22 VAL 816 HG22 VAL 6 -0.907 22.331 3.603 40 HG23 VAL 816 HG23 VAL 6 -0.294 22.393 1.942 41 H GLN 817 H GLN 7 -3.306 19.687 -0.076 42 HA GLN 817 HA GLN 7 -4.435 17.169 1.048 43 HB2 GLN 817 HB2 GLN 7 -5.618 17.064 -1.109 44 HB3 GLN 817 HB3 GLN 7 -6.032 18.457 -0.115 45 HG2 GLN 817 HG2 GLN 7 -5.625 19.879 -1.750 46 HG3 GLN 817 HG3 GLN 7 -3.969 19.344 -1.878 47 HE21 GLN 817 HE21 GLN 7 -3.543 17.372 -3.180 48 HE22 GLN 817 HE22 GLN 7 -4.504 17.161 -4.658 49 H HIS 818 H HIS 8 -3.307 15.310 0.874 50 HA HIS 818 HA HIS 8 -1.353 15.056 -1.388 51 HB2 HIS 818 HB2 HIS 8 -1.103 14.506 1.490 52 HB3 HIS 818 HB3 HIS 8 -0.552 13.216 0.439 53 HD2 HIS 818 HD2 HIS 8 0.452 16.666 1.566 54 HE1 HIS 818 HE1 HIS 8 2.953 15.851 -1.775 55 HE2 HIS 818 HE2 HIS 8 2.476 17.498 0.058 56 H VAL 819 H VAL 9 -3.269 14.653 -2.591 57 HA VAL 819 HA VAL 9 -4.599 12.123 -2.666 58 HB VAL 819 HB VAL 9 -3.936 14.122 -4.832 59 HG11 VAL 819 HG11 VAL 9 -4.332 11.917 -5.879 60 HG12 VAL 819 HG12 VAL 9 -5.702 12.999 -6.138 61 HG13 VAL 819 HG13 VAL 9 -5.819 11.722 -4.914 62 HG21 VAL 819 HG21 VAL 9 -6.463 13.473 -3.222 63 HG22 VAL 819 HG22 VAL 9 -6.366 14.662 -4.541 64 HG23 VAL 819 HG23 VAL 9 -5.475 14.936 -3.045 65 H GLY 820 H GLY 10 -3.853 10.168 -2.967 66 HA2 GLY 820 HA2 GLY 10 -2.464 8.491 -3.890 67 HA3 GLY 820 HA3 GLY 10 -1.241 9.692 -4.285 68 H PHE 821 H PHE 11 -2.141 10.313 -1.055 69 HA PHE 821 HA PHE 11 -0.287 8.227 0.047 70 HB2 PHE 821 HB2 PHE 11 -0.218 11.126 0.835 71 HB3 PHE 821 HB3 PHE 11 0.856 9.839 1.338 72 HD1 PHE 821 HD1 PHE 11 2.946 9.651 0.288 73 HD2 PHE 821 HD2 PHE 11 -0.191 11.926 -1.568 74 HE1 PHE 821 HE1 PHE 11 4.567 10.551 -1.381 75 HE2 PHE 821 HE2 PHE 11 1.424 12.912 -3.143 76 HZ PHE 821 HZ PHE 11 3.814 12.298 -3.001 77 H LYS 822 H LYS 12 -1.947 7.081 0.896 78 HA LYS 822 HA LYS 12 -3.806 8.255 2.919 79 HB2 LYS 822 HB2 LYS 12 -4.947 6.822 1.628 80 HB3 LYS 822 HB3 LYS 12 -3.640 5.788 1.286 81 HG2 LYS 822 HG2 LYS 12 -4.699 5.728 4.139 82 HG3 LYS 822 HG3 LYS 12 -5.773 5.225 2.875 83 HD2 LYS 822 HD2 LYS 12 -4.115 3.558 2.053 84 HD3 LYS 822 HD3 LYS 12 -2.968 4.123 3.273 85 HE2 LYS 822 HE2 LYS 12 -3.979 2.036 3.955 86 HE3 LYS 822 HE3 LYS 12 -4.366 3.342 5.074 87 HZ1 LYS 822 HZ1 LYS 12 -6.303 1.877 4.487 88 HZ2 LYS 822 HZ2 LYS 12 -6.241 2.381 2.946 89 HZ3 LYS 822 HZ3 LYS 12 -6.611 3.446 4.153 90 H CYS 823 H CYS 13 -3.652 7.826 5.093 91 HA CYS 823 HA CYS 13 -1.032 7.581 6.202 92 HB2 CYS 823 HB2 CYS 13 -2.850 8.983 7.070 93 HB3 CYS 823 HB3 CYS 13 -3.789 7.540 7.401 94 H ASP 824 H ASP 14 -0.248 6.161 7.660 95 HA ASP 824 HA ASP 14 -0.956 3.267 7.377 96 HB2 ASP 824 HB2 ASP 14 1.514 4.746 8.346 97 HB3 ASP 824 HB3 ASP 14 1.261 3.041 8.658 98 H ASN 825 H ASN 15 -0.671 5.821 9.819 99 HA ASN 825 HA ASN 15 -1.017 4.120 12.123 100 HB2 ASN 825 HB2 ASN 15 -0.150 6.406 12.281 101 HB3 ASN 825 HB3 ASN 15 -1.731 7.057 11.765 102 HD21 ASN 825 HD21 ASN 15 -2.061 8.227 13.684 103 HD22 ASN 825 HD22 ASN 15 -2.329 7.414 15.236 104 H CYS 826 H CYS 16 -3.471 6.272 10.568 105 HA CYS 826 HA CYS 16 -5.572 4.724 11.956 106 HB2 CYS 826 HB2 CYS 16 -6.770 6.700 12.141 107 HB3 CYS 826 HB3 CYS 16 -5.110 7.155 12.516 108 H GLY 827 H GLY 17 -4.384 5.245 8.783 109 HA2 GLY 827 HA2 GLY 17 -4.909 3.925 6.992 110 HA3 GLY 827 HA3 GLY 17 -6.432 3.471 7.725 111 H ILE 828 H ILE 18 -6.182 6.812 7.961 112 HA ILE 828 HA ILE 18 -8.336 7.286 6.284 113 HB ILE 828 HB ILE 18 -7.774 8.700 8.164 114 HG12 ILE 828 HG12 ILE 18 -7.677 10.410 5.661 115 HG13 ILE 828 HG13 ILE 18 -9.118 9.559 6.141 116 HG21 ILE 828 HG21 ILE 18 -5.443 9.783 6.485 117 HG22 ILE 828 HG22 ILE 18 -5.281 8.758 7.908 118 HG23 ILE 828 HG23 ILE 18 -5.989 10.340 8.081 119 HD11 ILE 828 HD11 ILE 18 -9.279 11.832 6.921 120 HD12 ILE 828 HD12 ILE 18 -7.726 11.723 7.761 121 HD13 ILE 828 HD13 ILE 18 -9.116 10.767 8.329 122 H GLU 829 H GLU 19 -8.634 8.083 4.345 123 HA GLU 829 HA GLU 19 -6.860 7.560 2.209 124 HB2 GLU 829 HB2 GLU 19 -8.519 9.370 1.151 125 HB3 GLU 829 HB3 GLU 19 -8.897 7.687 1.228 126 HG2 GLU 829 HG2 GLU 19 -9.763 9.728 3.339 127 HG3 GLU 829 HG3 GLU 19 -10.706 9.385 1.899 128 HA PRO 830 HA PRO 20 -4.057 10.646 0.930 129 HB2 PRO 830 HB2 PRO 20 -6.628 12.031 0.077 130 HB3 PRO 830 HB3 PRO 20 -5.021 12.004 -0.710 131 HG2 PRO 830 HG2 PRO 20 -7.151 10.260 -1.142 132 HG3 PRO 830 HG3 PRO 20 -5.478 9.988 -1.722 133 HD2 PRO 830 HD2 PRO 20 -6.696 8.371 0.146 134 HD3 PRO 830 HD3 PRO 20 -4.938 8.601 -0.007 135 H ILE 831 H ILE 21 -3.168 11.319 2.755 136 HA ILE 831 HA ILE 21 -4.296 12.568 4.922 137 HB ILE 831 HB ILE 21 -1.477 12.694 3.823 138 HG12 ILE 831 HG12 ILE 21 -2.492 11.118 6.223 139 HG13 ILE 831 HG13 ILE 21 -2.661 10.467 4.608 140 HG21 ILE 831 HG21 ILE 21 -1.631 14.626 5.300 141 HG22 ILE 831 HG22 ILE 21 -0.764 13.363 6.165 142 HG23 ILE 831 HG23 ILE 21 -2.467 13.669 6.535 143 HD11 ILE 831 HD11 ILE 21 -0.285 10.613 4.188 144 HD12 ILE 831 HD12 ILE 21 -0.621 9.646 5.637 145 HD13 ILE 831 HD13 ILE 21 -0.009 11.299 5.806 146 H GLN 832 H GLN 22 -4.733 14.500 5.708 147 HA GLN 832 HA GLN 22 -4.595 16.799 3.811 148 HB2 GLN 832 HB2 GLN 22 -6.658 16.263 5.966 149 HB3 GLN 832 HB3 GLN 22 -6.615 17.630 4.850 150 HG2 GLN 832 HG2 GLN 22 -6.923 14.725 3.969 151 HG3 GLN 832 HG3 GLN 22 -8.253 15.821 4.254 152 HE21 GLN 832 HE21 GLN 22 -6.619 14.525 1.753 153 HE22 GLN 832 HE22 GLN 22 -6.908 15.827 0.592 154 H GLY 833 H GLY 23 -3.812 18.690 4.463 155 HA2 GLY 833 HA2 GLY 23 -3.586 20.421 6.205 156 HA3 GLY 833 HA3 GLY 23 -3.123 19.184 7.328 157 H VAL 834 H VAL 24 -1.290 17.807 6.588 158 HA VAL 834 HA VAL 24 0.918 18.923 5.087 159 HB VAL 834 HB VAL 24 0.922 20.007 7.338 160 HG11 VAL 834 HG11 VAL 24 1.489 17.275 8.484 161 HG12 VAL 834 HG12 VAL 24 -0.032 18.194 8.653 162 HG13 VAL 834 HG13 VAL 24 1.465 18.834 9.352 163 HG21 VAL 834 HG21 VAL 24 3.080 19.747 6.197 164 HG22 VAL 834 HG22 VAL 24 3.263 18.105 6.878 165 HG23 VAL 834 HG23 VAL 24 3.292 19.527 7.933 166 H ARG 835 H ARG 25 2.155 17.097 4.334 167 HA ARG 835 HA ARG 25 1.156 14.424 5.285 168 HB2 ARG 835 HB2 ARG 25 1.207 14.702 2.894 169 HB3 ARG 835 HB3 ARG 25 2.931 15.090 2.913 170 HG2 ARG 835 HG2 ARG 25 3.458 12.805 3.680 171 HG3 ARG 835 HG3 ARG 25 1.721 12.452 3.832 172 HD2 ARG 835 HD2 ARG 25 2.476 11.473 1.803 173 HD3 ARG 835 HD3 ARG 25 1.488 12.843 1.368 174 HE ARG 835 HE ARG 25 3.334 13.907 0.440 175 HH11 ARG 835 HH11 ARG 25 4.406 10.918 1.985 176 HH12 ARG 835 HH12 ARG 25 6.009 11.060 1.327 177 HH21 ARG 835 HH21 ARG 25 5.456 13.982 -0.378 178 HH22 ARG 835 HH22 ARG 25 6.567 12.710 0.024 179 H TRP 836 H TRP 26 2.743 12.809 5.884 180 HA TRP 836 HA TRP 26 5.287 13.965 6.935 181 HB2 TRP 836 HB2 TRP 26 3.428 12.165 8.500 182 HB3 TRP 836 HB3 TRP 26 5.098 12.363 8.845 183 HD1 TRP 836 HD1 TRP 26 1.922 14.462 9.015 184 HE1 TRP 836 HE1 TRP 26 2.405 16.519 10.530 185 HE3 TRP 836 HE3 TRP 26 6.982 14.106 9.312 186 HZ2 TRP 836 HZ2 TRP 26 4.632 17.541 12.025 187 HZ3 TRP 836 HZ3 TRP 26 8.271 15.492 10.911 188 HH2 TRP 836 HH2 TRP 26 7.106 17.181 12.305 189 H HIS 837 H HIS 27 6.636 13.201 5.569 190 HA HIS 837 HA HIS 27 6.356 10.513 4.286 191 HB2 HIS 837 HB2 HIS 27 6.885 12.595 2.950 192 HB3 HIS 837 HB3 HIS 27 8.347 12.805 3.884 193 HD2 HIS 837 HD2 HIS 27 10.449 11.274 3.324 194 HE1 HIS 837 HE1 HIS 27 8.738 9.116 0.067 195 HE2 HIS 837 HE2 HIS 27 10.892 9.604 1.335 196 H CYS 838 H CYS 28 7.199 8.830 5.348 197 HA CYS 838 HA CYS 28 9.044 9.081 7.461 198 HB2 CYS 838 HB2 CYS 28 7.989 6.872 5.731 199 HB3 CYS 838 HB3 CYS 28 9.453 6.569 6.672 200 H GLN 839 H GLN 29 11.276 9.336 7.576 201 HA GLN 839 HA GLN 29 12.640 9.871 5.078 202 HB2 GLN 839 HB2 GLN 29 13.658 9.774 7.936 203 HB3 GLN 839 HB3 GLN 29 14.625 10.219 6.542 204 HG2 GLN 839 HG2 GLN 29 12.842 12.018 6.037 205 HG3 GLN 839 HG3 GLN 29 12.277 11.773 7.687 206 HE21 GLN 839 HE21 GLN 29 13.168 14.359 7.112 207 HE22 GLN 839 HE22 GLN 29 14.775 14.565 7.734 208 H ASP 840 H ASP 30 12.779 7.170 7.422 209 HA ASP 840 HA ASP 30 15.062 5.958 5.945 210 HB2 ASP 840 HB2 ASP 30 15.190 6.380 8.377 211 HB3 ASP 840 HB3 ASP 30 13.811 5.333 8.618 212 H CYS 841 H CYS 31 11.639 5.274 6.745 213 HA CYS 841 HA CYS 31 11.660 2.568 5.872 214 HB2 CYS 841 HB2 CYS 31 9.337 4.516 5.778 215 HB3 CYS 841 HB3 CYS 31 9.268 2.783 5.622 216 HA PRO 842 HA PRO 32 12.739 3.249 1.715 217 HB2 PRO 842 HB2 PRO 32 12.240 0.871 0.479 218 HB3 PRO 842 HB3 PRO 32 13.413 1.036 1.818 219 HG2 PRO 842 HG2 PRO 32 10.513 0.150 1.996 220 HG3 PRO 842 HG3 PRO 32 11.959 -0.668 2.667 221 HD2 PRO 842 HD2 PRO 32 10.382 1.015 4.157 222 HD3 PRO 842 HD3 PRO 32 12.139 0.892 4.411 223 HA PRO 843 HA PRO 33 9.454 4.775 -0.898 224 HB2 PRO 843 HB2 PRO 33 11.057 3.542 -3.161 225 HB3 PRO 843 HB3 PRO 33 10.276 5.150 -3.077 226 HG2 PRO 843 HG2 PRO 33 12.921 4.942 -2.627 227 HG3 PRO 843 HG3 PRO 33 11.929 5.931 -1.497 228 HD2 PRO 843 HD2 PRO 33 12.901 3.078 -1.141 229 HD3 PRO 843 HD3 PRO 33 12.929 4.444 0.017 230 H GLU 844 H GLU 34 10.447 1.410 -1.491 231 HA GLU 844 HA GLU 34 8.186 0.469 -2.909 232 HB2 GLU 844 HB2 GLU 34 10.287 -0.741 -2.626 233 HB3 GLU 844 HB3 GLU 34 9.976 -0.948 -0.894 234 HG2 GLU 844 HG2 GLU 34 8.029 -2.355 -1.356 235 HG3 GLU 844 HG3 GLU 34 8.169 -2.041 -3.090 236 H MET 845 H MET 35 8.608 1.019 0.549 237 HA MET 845 HA MET 35 5.887 0.022 1.218 238 HB2 MET 845 HB2 MET 35 8.134 1.104 2.949 239 HB3 MET 845 HB3 MET 35 6.561 0.550 3.548 240 HG2 MET 845 HG2 MET 35 8.526 -1.189 2.008 241 HG3 MET 845 HG3 MET 35 8.401 -1.122 3.764 242 HE1 MET 845 HE1 MET 35 5.101 -2.927 4.612 243 HE2 MET 845 HE2 MET 35 5.388 -1.177 4.570 244 HE3 MET 845 HE3 MET 35 6.638 -2.266 5.219 245 H SER 846 H SER 36 7.783 3.030 1.339 246 HA SER 846 HA SER 36 7.311 5.197 1.792 247 HB2 SER 846 HB2 SER 36 6.818 4.949 -0.597 248 HB3 SER 846 HB3 SER 36 5.105 4.704 -0.209 249 HG SER 846 HG SER 36 5.705 6.931 -0.732 250 H LEU 847 H LEU 37 6.819 4.956 3.992 251 HA LEU 847 HA LEU 37 4.026 4.604 4.812 252 HB2 LEU 847 HB2 LEU 37 6.651 4.771 6.303 253 HB3 LEU 847 HB3 LEU 37 5.167 5.165 7.122 254 HG LEU 847 HG LEU 37 4.353 2.778 6.110 255 HD11 LEU 847 HD11 LEU 37 6.080 1.160 5.995 256 HD12 LEU 847 HD12 LEU 37 7.311 2.334 6.489 257 HD13 LEU 847 HD13 LEU 37 6.554 2.460 4.877 258 HD21 LEU 847 HD21 LEU 37 4.396 3.334 8.433 259 HD22 LEU 847 HD22 LEU 37 6.175 3.226 8.401 260 HD23 LEU 847 HD23 LEU 37 5.173 1.757 8.187 261 H ASP 848 H ASP 38 2.769 6.154 5.964 262 HA ASP 848 HA ASP 38 3.668 8.930 5.841 263 HB2 ASP 848 HB2 ASP 38 1.136 8.102 4.416 264 HB3 ASP 848 HB3 ASP 38 1.727 9.734 4.699 265 H PHE 849 H PHE 39 2.612 10.328 7.206 266 HA PHE 849 HA PHE 39 0.344 9.255 8.811 267 HB2 PHE 849 HB2 PHE 39 2.768 10.636 10.059 268 HB3 PHE 849 HB3 PHE 39 1.349 10.026 10.853 269 HD1 PHE 849 HD1 PHE 39 1.233 7.841 11.620 270 HD2 PHE 849 HD2 PHE 39 4.335 8.840 8.794 271 HE1 PHE 849 HE1 PHE 39 2.157 5.539 11.815 272 HE2 PHE 849 HE2 PHE 39 5.219 6.614 8.999 273 HZ PHE 849 HZ PHE 39 4.198 4.893 10.492 274 H CYS 850 H CYS 40 -1.201 10.693 9.531 275 HA CYS 850 HA CYS 40 -1.414 13.266 8.423 276 HB2 CYS 850 HB2 CYS 40 -2.712 12.131 10.930 277 HB3 CYS 850 HB3 CYS 40 -3.342 13.452 9.950 278 H ASP 851 H ASP 41 -1.909 15.250 9.783 279 HA ASP 851 HA ASP 41 0.325 16.315 11.113 280 HB2 ASP 851 HB2 ASP 41 -1.036 18.165 11.587 281 HB3 ASP 851 HB3 ASP 41 -1.583 17.561 10.039 282 H SER 852 H SER 42 -2.383 14.491 12.464 283 HA SER 852 HA SER 42 -1.467 14.833 15.225 284 HB2 SER 852 HB2 SER 42 -3.883 14.820 14.701 285 HB3 SER 852 HB3 SER 42 -3.729 13.171 14.071 286 HG SER 852 HG SER 42 -3.422 14.077 16.757 287 H CYS 853 H CYS 43 -1.547 12.249 12.726 288 HA CYS 853 HA CYS 43 -0.820 10.147 14.511 289 HB2 CYS 853 HB2 CYS 43 -0.842 10.379 11.504 290 HB3 CYS 853 HB3 CYS 43 -0.667 8.893 12.399 291 H SER 854 H SER 44 1.005 12.460 12.655 292 HA SER 854 HA SER 44 3.533 11.120 12.478 293 HB2 SER 854 HB2 SER 44 4.383 13.335 12.099 294 HB3 SER 854 HB3 SER 44 2.803 13.204 11.334 295 HG SER 854 HG SER 44 3.079 15.167 12.598 296 H ASP 855 H ASP 45 1.799 12.400 15.205 297 HA ASP 855 HA ASP 45 4.130 12.486 16.968 298 HB2 ASP 855 HB2 ASP 45 2.097 14.042 17.161 299 HB3 ASP 855 HB3 ASP 45 1.201 12.636 17.746 300 H CYS 856 H CYS 46 2.254 10.029 15.628 301 HA CYS 856 HA CYS 46 2.181 8.242 17.921 302 HB2 CYS 856 HB2 CYS 46 0.534 8.178 15.928 303 HB3 CYS 856 HB3 CYS 46 1.870 7.504 14.990 304 HG CYS 856 HG CYS 46 0.379 6.334 17.718 305 H LEU 857 H LEU 47 3.574 6.549 18.223 306 HA LEU 857 HA LEU 47 6.081 6.537 16.609 307 HB2 LEU 857 HB2 LEU 47 6.439 7.181 18.928 308 HB3 LEU 857 HB3 LEU 47 5.791 5.636 19.484 309 HG LEU 857 HG LEU 47 7.659 4.422 18.505 310 HD11 LEU 857 HD11 LEU 47 8.047 5.468 16.407 311 HD12 LEU 857 HD12 LEU 47 9.512 5.810 17.343 312 HD13 LEU 857 HD13 LEU 47 8.299 7.071 17.150 313 HD21 LEU 857 HD21 LEU 47 9.533 5.420 19.713 314 HD22 LEU 857 HD22 LEU 47 8.049 5.568 20.665 315 HD23 LEU 857 HD23 LEU 47 8.686 6.986 19.794 316 H HIS 858 H HIS 48 4.827 5.455 15.053 317 HA HIS 858 HA HIS 48 3.896 2.729 15.657 318 HB2 HIS 858 HB2 HIS 48 2.427 4.326 14.420 319 HB3 HIS 858 HB3 HIS 48 3.649 4.412 13.147 320 HD2 HIS 858 HD2 HIS 48 2.882 2.995 11.108 321 HE1 HIS 858 HE1 HIS 48 0.957 -0.230 13.118 322 HE2 HIS 858 HE2 HIS 48 1.580 0.725 10.843 323 H GLU 859 H GLU 49 4.500 0.913 14.413 324 HA GLU 859 HA GLU 49 6.910 1.052 12.750 325 HB2 GLU 859 HB2 GLU 49 6.716 -0.884 15.120 326 HB3 GLU 859 HB3 GLU 49 8.104 -0.588 14.138 327 HG2 GLU 859 HG2 GLU 49 8.283 1.729 15.123 328 HG3 GLU 859 HG3 GLU 49 6.892 1.333 16.127 329 H THR 860 H THR 50 7.337 -0.861 11.521 330 HA THR 860 HA THR 50 5.103 -2.869 11.444 331 HB THR 860 HB THR 50 4.980 -2.815 9.076 332 HG1 THR 860 HG1 THR 50 6.254 -1.394 7.858 333 HG21 THR 860 HG21 THR 50 4.964 0.082 10.016 334 HG22 THR 860 HG22 THR 50 3.633 -1.069 10.198 335 HG23 THR 860 HG23 THR 50 4.166 -0.584 8.572 336 H ASP 861 H ASP 51 6.353 -4.180 9.167 337 HA ASP 861 HA ASP 51 8.350 -5.846 10.462 338 HB2 ASP 861 HB2 ASP 51 7.281 -5.758 7.675 339 HB3 ASP 861 HB3 ASP 51 8.391 -6.972 8.266 340 H ILE 862 H ILE 52 8.303 -3.003 8.486 341 HA ILE 862 HA ILE 52 11.233 -3.123 8.145 342 HB ILE 862 HB ILE 52 9.111 -1.972 6.359 343 HG12 ILE 862 HG12 ILE 52 11.366 -4.036 6.132 344 HG13 ILE 862 HG13 ILE 52 9.647 -4.391 6.208 345 HG21 ILE 862 HG21 ILE 52 10.732 -0.214 6.520 346 HG22 ILE 862 HG22 ILE 52 11.197 -1.130 5.083 347 HG23 ILE 862 HG23 ILE 52 12.082 -1.367 6.613 348 HD11 ILE 862 HD11 ILE 52 10.343 -4.619 3.962 349 HD12 ILE 862 HD12 ILE 52 11.058 -2.996 3.943 350 HD13 ILE 862 HD13 ILE 52 9.285 -3.198 4.100 351 H HIS 863 H HIS 53 8.418 -1.043 8.885 352 HA HIS 863 HA HIS 53 10.075 1.270 9.469 353 HB2 HIS 863 HB2 HIS 53 7.831 1.722 8.843 354 HB3 HIS 863 HB3 HIS 53 7.141 0.620 9.942 355 HD1 HIS 863 HD1 HIS 53 9.767 3.020 11.656 356 HD2 HIS 863 HD2 HIS 53 5.823 2.797 10.496 357 HE1 HIS 863 HE1 HIS 53 8.948 5.364 11.628 358 H LYS 864 H LYS 54 11.176 1.583 11.254 359 HA LYS 864 HA LYS 54 9.939 0.601 13.768 360 HB2 LYS 864 HB2 LYS 54 12.913 0.626 13.044 361 HB3 LYS 864 HB3 LYS 54 12.209 0.155 14.571 362 HG2 LYS 864 HG2 LYS 54 11.685 -1.288 11.865 363 HG3 LYS 864 HG3 LYS 54 12.892 -1.767 13.000 364 HD2 LYS 864 HD2 LYS 54 11.160 -2.289 14.716 365 HD3 LYS 864 HD3 LYS 54 9.929 -1.769 13.640 366 HE2 LYS 864 HE2 LYS 54 9.896 -4.037 13.313 367 HE3 LYS 864 HE3 LYS 54 10.779 -3.456 11.912 368 HZ1 LYS 864 HZ1 LYS 54 12.870 -4.103 13.071 369 HZ2 LYS 864 HZ2 LYS 54 11.880 -5.390 12.937 370 HZ3 LYS 864 HZ3 LYS 54 12.024 -4.631 14.368 371 H GLU 865 H GLU 55 10.781 1.654 15.716 372 HA GLU 865 HA GLU 55 10.580 4.496 15.666 373 HB2 GLU 865 HB2 GLU 55 10.943 4.305 18.055 374 HB3 GLU 865 HB3 GLU 55 9.864 3.036 17.489 375 HG2 GLU 865 HG2 GLU 55 11.947 1.496 17.495 376 HG3 GLU 865 HG3 GLU 55 12.823 2.816 18.244 377 H ASP 866 H ASP 56 13.150 2.798 14.580 378 HA ASP 866 HA ASP 56 15.417 4.065 15.757 379 HB2 ASP 866 HB2 ASP 56 15.315 1.900 14.458 380 HB3 ASP 866 HB3 ASP 56 15.164 2.896 13.019 381 H HIS 867 H HIS 57 13.053 5.060 13.307 382 HA HIS 867 HA HIS 57 14.861 7.198 12.418 383 HB2 HIS 867 HB2 HIS 57 14.167 7.048 10.423 384 HB3 HIS 867 HB3 HIS 57 14.075 5.353 10.846 385 HD1 HIS 867 HD1 HIS 57 12.156 8.345 9.651 386 HD2 HIS 867 HD2 HIS 57 11.502 4.368 10.804 387 HE1 HIS 867 HE1 HIS 57 9.872 7.782 8.797 388 H GLN 868 H GLN 58 13.415 8.699 11.068 389 HA GLN 868 HA GLN 58 11.647 10.269 12.808 390 HB2 GLN 868 HB2 GLN 58 12.904 12.302 12.485 391 HB3 GLN 868 HB3 GLN 58 13.930 11.089 13.223 392 HG2 GLN 868 HG2 GLN 58 13.973 11.816 10.255 393 HG3 GLN 868 HG3 GLN 58 15.060 12.472 11.459 394 HE21 GLN 868 HE21 GLN 58 16.696 11.027 12.423 395 HE22 GLN 868 HE22 GLN 58 17.042 9.499 11.626 396 H LEU 869 H LEU 59 10.333 11.775 11.751 397 HA LEU 869 HA LEU 59 9.696 11.107 8.915 398 HB2 LEU 869 HB2 LEU 59 8.040 12.725 10.889 399 HB3 LEU 869 HB3 LEU 59 7.534 12.024 9.346 400 HG LEU 869 HG LEU 59 6.459 10.878 11.015 401 HD11 LEU 869 HD11 LEU 59 7.328 9.526 9.179 402 HD12 LEU 869 HD12 LEU 59 7.074 8.593 10.654 403 HD13 LEU 869 HD13 LEU 59 8.724 9.067 10.207 404 HD21 LEU 869 HD21 LEU 59 8.993 10.045 12.455 405 HD22 LEU 869 HD22 LEU 59 7.314 9.750 12.907 406 HD23 LEU 869 HD23 LEU 59 7.944 11.401 12.969 407 H GLU 870 H GLU 60 9.149 12.646 7.364 408 HA GLU 870 HA GLU 60 10.249 15.391 7.780 409 HB2 GLU 870 HB2 GLU 60 11.219 13.878 5.995 410 HB3 GLU 870 HB3 GLU 60 9.678 13.899 5.206 411 HG2 GLU 870 HG2 GLU 60 11.267 15.406 4.191 412 HG3 GLU 870 HG3 GLU 60 9.833 16.267 4.765 413 HA PRO 871 HA PRO 61 5.860 16.600 7.333 414 HB2 PRO 871 HB2 PRO 61 6.064 19.246 7.933 415 HB3 PRO 871 HB3 PRO 61 6.143 17.976 9.176 416 HG2 PRO 871 HG2 PRO 61 8.430 19.463 7.876 417 HG3 PRO 871 HG3 PRO 61 8.209 19.051 9.603 418 HD2 PRO 871 HD2 PRO 61 9.771 17.594 7.829 419 HD3 PRO 871 HD3 PRO 61 9.003 16.874 9.264 420 H ILE 872 H ILE 62 4.704 17.434 5.549 421 HA ILE 872 HA ILE 62 6.266 18.889 3.469 422 HB ILE 872 HB ILE 62 4.181 16.849 2.822 423 HG12 ILE 872 HG12 ILE 62 5.911 15.566 4.095 424 HG13 ILE 872 HG13 ILE 62 5.718 15.056 2.450 425 HG21 ILE 872 HG21 ILE 62 6.497 17.997 1.213 426 HG22 ILE 872 HG22 ILE 62 4.823 18.520 1.126 427 HG23 ILE 872 HG23 ILE 62 5.250 16.878 0.613 428 HD11 ILE 872 HD11 ILE 62 7.754 16.084 1.752 429 HD12 ILE 872 HD12 ILE 62 8.092 15.199 3.251 430 HD13 ILE 872 HD13 ILE 62 7.910 16.967 3.280 431 H TYR 873 H TYR 63 5.435 20.744 3.250 432 HA TYR 873 HA TYR 63 2.714 21.337 4.154 433 HB2 TYR 873 HB2 TYR 63 5.062 23.171 3.587 434 HB3 TYR 873 HB3 TYR 63 3.514 23.656 4.256 435 HD1 TYR 873 HD1 TYR 63 6.786 22.254 5.035 436 HD2 TYR 873 HD2 TYR 63 2.760 22.783 6.503 437 HE1 TYR 873 HE1 TYR 63 7.573 21.812 7.353 438 HE2 TYR 873 HE2 TYR 63 3.549 22.353 8.818 439 HH TYR 873 HH TYR 63 5.372 21.959 10.180 440 H ARG 874 H ARG 64 3.637 20.270 1.399 441 HA ARG 874 HA ARG 64 1.859 21.890 -0.297 442 HB2 ARG 874 HB2 ARG 64 4.783 21.347 -0.952 443 HB3 ARG 874 HB3 ARG 64 3.620 21.968 -2.110 444 HG2 ARG 874 HG2 ARG 64 4.540 23.370 0.435 445 HG3 ARG 874 HG3 ARG 64 5.122 23.674 -1.179 446 HD2 ARG 874 HD2 ARG 64 2.227 24.075 -0.375 447 HD3 ARG 874 HD3 ARG 64 3.451 25.354 -0.395 448 HE ARG 874 HE ARG 64 3.529 24.192 -2.943 449 HH11 ARG 874 HH11 ARG 64 1.165 26.012 -1.101 450 HH12 ARG 874 HH12 ARG 64 0.390 26.622 -2.534 451 HH21 ARG 874 HH21 ARG 64 2.478 24.987 -4.719 452 HH22 ARG 874 HH22 ARG 64 1.128 26.065 -4.529 453 H1 ALA 1 H1 ALA 65 2.084 6.197 3.026 454 H2 ALA 1 H2 ALA 65 1.625 5.153 4.220 455 H3 ALA 1 H3 ALA 65 0.490 6.015 3.400 456 HA ALA 1 HA ALA 65 2.232 3.964 2.265 457 HB1 ALA 1 HB1 ALA 65 0.559 2.950 3.700 458 HB2 ALA 1 HB2 ALA 65 0.217 2.606 1.998 459 HB3 ALA 1 HB3 ALA 65 -0.736 3.839 2.862 460 H ARG 2 H ARG 66 2.648 4.286 0.215 461 HA ARG 2 HA ARG 66 1.409 6.223 -1.439 462 HB2 ARG 2 HB2 ARG 66 2.682 5.397 -3.247 463 HB3 ARG 2 HB3 ARG 66 3.669 5.315 -1.814 464 HG2 ARG 2 HG2 ARG 66 2.400 3.019 -3.360 465 HG3 ARG 2 HG3 ARG 66 4.105 3.394 -3.178 466 HD2 ARG 2 HD2 ARG 66 3.907 2.897 -0.722 467 HD3 ARG 2 HD3 ARG 66 2.262 2.312 -0.990 468 HE ARG 2 HE ARG 66 4.785 0.979 -1.625 469 HH11 ARG 2 HH11 ARG 66 1.368 0.941 -2.512 470 HH12 ARG 2 HH12 ARG 66 1.463 -0.728 -3.008 471 HH21 ARG 2 HH21 ARG 66 4.816 -1.038 -2.192 472 HH22 ARG 2 HH22 ARG 66 3.403 -1.849 -2.847 473 H THR 3 H THR 67 -0.357 6.351 -2.472 474 HA THR 3 HA THR 67 -1.665 4.031 -3.806 475 HB THR 3 HB THR 67 -3.870 5.035 -3.299 476 HG1 THR 3 HG1 THR 67 -4.040 6.694 -1.849 477 HG21 THR 3 HG21 THR 67 -2.954 3.250 -1.791 478 HG22 THR 3 HG22 THR 67 -4.087 4.354 -0.995 479 HG23 THR 3 HG23 THR 67 -2.343 4.532 -0.714 480 HH31 ALY 4 H26 ALY 68 2.570 10.943 -10.474 481 HH32 ALY 4 H27 ALY 68 2.675 12.717 -10.566 482 HH33 ALY 4 H28 ALY 68 1.214 11.886 -11.139 483 HZ ALY 4 HZ1 ALY 68 3.254 11.875 -8.232 484 HE3 ALY 4 HE3 ALY 68 2.645 12.666 -6.066 485 HE2 ALY 4 HE2 ALY 68 0.934 12.472 -6.453 486 HD3 ALY 4 HD3 ALY 68 2.928 10.184 -6.093 487 HD2 ALY 4 HD2 ALY 68 1.795 10.761 -4.870 488 HG3 ALY 4 HG3 ALY 68 -0.109 10.200 -6.395 489 HG2 ALY 4 HG2 ALY 68 1.046 9.489 -7.534 490 HB3 ALY 4 HB3 ALY 68 1.781 7.879 -5.776 491 HB2 ALY 4 HB2 ALY 68 0.685 8.636 -4.623 492 HCA ALY 4 HA ALY 68 -1.224 8.065 -6.232 493 H ALY 4 H ALY 68 0.294 6.114 -4.641 494 H GLN 5 H GLN 69 -2.049 6.395 -7.686 495 HA GLN 5 HA GLN 69 -0.386 6.249 -10.109 496 HB2 GLN 5 HB2 GLN 69 -0.514 3.946 -10.473 497 HB3 GLN 5 HB3 GLN 69 0.072 4.112 -8.831 498 HG2 GLN 5 HG2 GLN 69 -2.776 3.391 -9.670 499 HG3 GLN 5 HG3 GLN 69 -1.558 2.273 -9.105 500 HE21 GLN 5 HE21 GLN 69 -4.319 3.594 -8.087 501 HE22 GLN 5 HE22 GLN 69 -3.957 3.775 -6.371 502 H THR 6 H THR 70 -1.629 5.631 -12.061 503 HA THR 6 HA THR 70 -4.152 7.057 -12.142 504 HB THR 6 HB THR 70 -4.165 6.366 -14.532 505 HG1 THR 6 HG1 THR 70 -2.402 5.200 -15.313 506 HG21 THR 6 HG21 THR 70 -1.452 7.432 -13.620 507 HG22 THR 6 HG22 THR 70 -2.928 8.407 -13.822 508 HG23 THR 6 HG23 THR 70 -2.188 7.618 -15.224 509 H ALA 7 H ALA 71 -3.321 3.605 -12.061 510 HA ALA 7 HA ALA 71 -5.930 2.600 -12.664 511 HB1 ALA 7 HB1 ALA 71 -5.037 0.476 -11.767 512 HB2 ALA 7 HB2 ALA 71 -3.640 1.338 -11.089 513 HB3 ALA 7 HB3 ALA 71 -3.872 1.260 -12.853 514 H ARG 8 H ARG 72 -7.578 1.820 -11.356 515 HA ARG 8 HA ARG 72 -8.035 3.121 -8.774 516 HB2 ARG 8 HB2 ARG 72 -9.666 1.081 -10.342 517 HB3 ARG 8 HB3 ARG 72 -10.167 1.834 -8.822 518 HG2 ARG 8 HG2 ARG 72 -10.002 4.088 -9.893 519 HG3 ARG 8 HG3 ARG 72 -9.620 3.317 -11.438 520 HD2 ARG 8 HD2 ARG 72 -12.189 2.926 -9.840 521 HD3 ARG 8 HD3 ARG 72 -12.003 3.966 -11.241 522 HE ARG 8 HE ARG 72 -11.620 2.050 -12.657 523 HH11 ARG 8 HH11 ARG 72 -12.928 1.173 -9.523 524 HH12 ARG 8 HH12 ARG 72 -13.516 -0.362 -10.105 525 HH21 ARG 8 HH21 ARG 72 -12.393 0.096 -13.324 526 HH22 ARG 8 HH22 ARG 72 -13.218 -0.947 -12.199 Start of MODEL 8 1 H1 GLY 811 H1 GLY 1 -2.706 25.666 -5.088 2 H2 GLY 811 H2 GLY 1 -1.204 26.059 -4.572 3 H3 GLY 811 H3 GLY 1 -2.486 27.007 -4.179 4 HA2 GLY 811 HA2 GLY 1 -3.464 25.225 -2.840 5 HA3 GLY 811 HA3 GLY 1 -2.077 24.219 -3.272 6 HA PRO 812 HA PRO 2 -0.939 27.748 -0.056 7 HB2 PRO 812 HB2 PRO 2 -3.015 26.801 1.921 8 HB3 PRO 812 HB3 PRO 2 -2.361 28.454 1.665 9 HG2 PRO 812 HG2 PRO 2 -4.786 27.801 0.686 10 HG3 PRO 812 HG3 PRO 2 -3.635 28.720 -0.345 11 HD2 PRO 812 HD2 PRO 2 -4.198 25.741 -0.365 12 HD3 PRO 812 HD3 PRO 2 -4.112 26.888 -1.735 13 H LEU 813 H LEU 3 0.617 27.414 1.525 14 HA LEU 813 HA LEU 3 1.748 24.872 1.911 15 HB2 LEU 813 HB2 LEU 3 2.920 26.986 1.987 16 HB3 LEU 813 HB3 LEU 3 2.082 27.485 3.447 17 HG LEU 813 HG LEU 3 3.609 24.906 3.610 18 HD11 LEU 813 HD11 LEU 3 5.737 26.081 3.987 19 HD12 LEU 813 HD12 LEU 3 4.976 27.622 3.521 20 HD13 LEU 813 HD13 LEU 3 5.157 26.309 2.331 21 HD21 LEU 813 HD21 LEU 3 3.452 27.335 5.458 22 HD22 LEU 813 HD22 LEU 3 4.209 25.772 5.838 23 HD23 LEU 813 HD23 LEU 3 2.458 25.876 5.617 24 H GLY 814 H GLY 4 -0.667 26.471 3.921 25 HA2 GLY 814 HA2 GLY 4 -0.574 24.427 6.045 26 HA3 GLY 814 HA3 GLY 4 -1.664 25.804 5.933 27 H SER 815 H SER 5 -1.756 24.123 2.972 28 HA SER 815 HA SER 5 -3.962 22.346 3.680 29 HB2 SER 815 HB2 SER 5 -4.818 24.745 3.541 30 HB3 SER 815 HB3 SER 5 -4.467 24.669 1.806 31 HG SER 815 HG SER 5 -6.659 24.081 2.328 32 H VAL 816 H VAL 6 -1.325 21.949 2.469 33 HA VAL 816 HA VAL 6 -1.365 21.569 -0.332 34 HB VAL 816 HB VAL 6 0.156 20.242 1.946 35 HG11 VAL 816 HG11 VAL 6 1.017 20.451 -0.916 36 HG12 VAL 816 HG12 VAL 6 0.421 18.991 -0.084 37 HG13 VAL 816 HG13 VAL 6 1.909 19.746 0.476 38 HG21 VAL 816 HG21 VAL 6 1.910 21.859 1.588 39 HG22 VAL 816 HG22 VAL 6 0.433 22.724 1.929 40 HG23 VAL 816 HG23 VAL 6 1.013 22.629 0.253 41 H GLN 817 H GLN 7 -2.170 19.979 -1.596 42 HA GLN 817 HA GLN 7 -3.437 17.644 -0.323 43 HB2 GLN 817 HB2 GLN 7 -4.166 17.152 -2.540 44 HB3 GLN 817 HB3 GLN 7 -4.493 18.839 -2.177 45 HG2 GLN 817 HG2 GLN 7 -3.524 19.370 -4.113 46 HG3 GLN 817 HG3 GLN 7 -1.982 18.996 -3.402 47 HE21 GLN 817 HE21 GLN 7 -3.822 18.319 -6.119 48 HE22 GLN 817 HE22 GLN 7 -3.128 16.751 -6.502 49 H HIS 818 H HIS 8 -2.565 15.637 -0.153 50 HA HIS 818 HA HIS 8 -0.157 14.944 -1.778 51 HB2 HIS 818 HB2 HIS 8 -0.841 13.445 0.733 52 HB3 HIS 818 HB3 HIS 8 0.721 13.715 -0.030 53 HD2 HIS 818 HD2 HIS 8 1.398 16.562 0.024 54 HE1 HIS 818 HE1 HIS 8 -0.734 17.200 3.638 55 HE2 HIS 818 HE2 HIS 8 0.955 18.222 2.000 56 H VAL 819 H VAL 9 -2.154 14.724 -3.367 57 HA VAL 819 HA VAL 9 -3.665 12.300 -3.376 58 HB VAL 819 HB VAL 9 -2.732 14.072 -5.588 59 HG11 VAL 819 HG11 VAL 9 -3.027 11.864 -6.601 60 HG12 VAL 819 HG12 VAL 9 -4.360 12.936 -7.035 61 HG13 VAL 819 HG13 VAL 9 -4.608 11.688 -5.795 62 HG21 VAL 819 HG21 VAL 9 -5.140 14.691 -5.616 63 HG22 VAL 819 HG22 VAL 9 -4.470 14.956 -4.001 64 HG23 VAL 819 HG23 VAL 9 -5.465 13.521 -4.314 65 H GLY 820 H GLY 10 -3.145 10.282 -3.562 66 HA2 GLY 820 HA2 GLY 10 -1.847 8.426 -4.248 67 HA3 GLY 820 HA3 GLY 10 -0.451 9.476 -4.497 68 H PHE 821 H PHE 11 -1.637 10.421 -1.510 69 HA PHE 821 HA PHE 11 -0.229 8.253 0.007 70 HB2 PHE 821 HB2 PHE 11 0.088 11.216 0.502 71 HB3 PHE 821 HB3 PHE 11 0.972 9.882 1.240 72 HD1 PHE 821 HD1 PHE 11 0.734 12.174 -1.551 73 HD2 PHE 821 HD2 PHE 11 2.750 8.715 -0.017 74 HE1 PHE 821 HE1 PHE 11 2.591 12.590 -3.146 75 HE2 PHE 821 HE2 PHE 11 4.581 9.050 -1.694 76 HZ PHE 821 HZ PHE 11 4.532 11.068 -3.171 77 H LYS 822 H LYS 12 -2.151 7.390 0.650 78 HA LYS 822 HA LYS 12 -4.076 8.865 2.382 79 HB2 LYS 822 HB2 LYS 12 -5.087 7.328 0.976 80 HB3 LYS 822 HB3 LYS 12 -3.835 6.179 1.094 81 HG2 LYS 822 HG2 LYS 12 -5.186 6.412 3.743 82 HG3 LYS 822 HG3 LYS 12 -6.339 6.242 2.464 83 HD2 LYS 822 HD2 LYS 12 -4.961 4.216 1.639 84 HD3 LYS 822 HD3 LYS 12 -4.096 4.364 3.184 85 HE2 LYS 822 HE2 LYS 12 -5.819 2.716 3.433 86 HE3 LYS 822 HE3 LYS 12 -6.236 4.131 4.406 87 HZ1 LYS 822 HZ1 LYS 12 -7.425 3.434 1.756 88 HZ2 LYS 822 HZ2 LYS 12 -7.802 4.803 2.572 89 HZ3 LYS 822 HZ3 LYS 12 -8.181 3.344 3.193 90 H CYS 823 H CYS 13 -4.072 8.638 4.626 91 HA CYS 823 HA CYS 13 -1.579 8.101 5.947 92 HB2 CYS 823 HB2 CYS 13 -2.891 9.892 6.703 93 HB3 CYS 823 HB3 CYS 13 -4.362 8.937 6.676 94 H ASP 824 H ASP 14 -1.262 6.730 7.710 95 HA ASP 824 HA ASP 14 -2.500 4.012 7.570 96 HB2 ASP 824 HB2 ASP 14 0.181 5.001 8.595 97 HB3 ASP 824 HB3 ASP 14 -0.437 3.378 8.856 98 H ASN 825 H ASN 15 -1.854 6.704 9.836 99 HA ASN 825 HA ASN 15 -2.605 5.238 12.236 100 HB2 ASN 825 HB2 ASN 15 -1.348 7.342 12.379 101 HB3 ASN 825 HB3 ASN 15 -2.703 8.216 11.623 102 HD21 ASN 825 HD21 ASN 15 -4.473 8.783 12.916 103 HD22 ASN 825 HD22 ASN 15 -4.389 8.607 14.669 104 H CYS 826 H CYS 16 -4.447 7.606 10.240 105 HA CYS 826 HA CYS 16 -6.951 6.863 11.518 106 HB2 CYS 826 HB2 CYS 16 -6.541 8.880 9.304 107 HB3 CYS 826 HB3 CYS 16 -7.785 8.863 10.537 108 H GLY 827 H GLY 17 -5.351 6.438 8.428 109 HA2 GLY 827 HA2 GLY 17 -5.829 5.020 6.749 110 HA3 GLY 827 HA3 GLY 17 -7.401 4.626 7.402 111 H ILE 828 H ILE 18 -6.899 8.022 7.419 112 HA ILE 828 HA ILE 18 -8.933 8.544 5.553 113 HB ILE 828 HB ILE 18 -8.479 10.089 7.297 114 HG12 ILE 828 HG12 ILE 18 -7.609 11.451 4.700 115 HG13 ILE 828 HG13 ILE 18 -9.245 10.979 4.982 116 HG21 ILE 828 HG21 ILE 18 -5.752 10.691 6.077 117 HG22 ILE 828 HG22 ILE 18 -6.012 9.754 7.551 118 HG23 ILE 828 HG23 ILE 18 -6.494 11.430 7.511 119 HD11 ILE 828 HD11 ILE 18 -9.062 13.315 5.461 120 HD12 ILE 828 HD12 ILE 18 -7.705 13.068 6.562 121 HD13 ILE 828 HD13 ILE 18 -9.328 12.476 7.005 122 H GLU 829 H GLU 19 -8.902 9.155 3.509 123 HA GLU 829 HA GLU 19 -6.935 8.098 1.718 124 HB2 GLU 829 HB2 GLU 19 -8.879 10.059 0.748 125 HB3 GLU 829 HB3 GLU 19 -8.418 8.515 0.068 126 HG2 GLU 829 HG2 GLU 19 -10.430 8.925 2.268 127 HG3 GLU 829 HG3 GLU 19 -10.715 8.364 0.622 128 HA PRO 830 HA PRO 20 -3.983 10.875 0.348 129 HB2 PRO 830 HB2 PRO 20 -6.009 12.521 -1.187 130 HB3 PRO 830 HB3 PRO 20 -4.248 12.309 -1.472 131 HG2 PRO 830 HG2 PRO 20 -6.023 10.729 -2.749 132 HG3 PRO 830 HG3 PRO 20 -4.512 10.047 -2.072 133 HD2 PRO 830 HD2 PRO 20 -7.315 9.946 -1.027 134 HD3 PRO 830 HD3 PRO 20 -6.004 8.750 -0.790 135 H ILE 831 H ILE 21 -3.139 11.853 1.984 136 HA ILE 831 HA ILE 21 -4.450 13.383 3.911 137 HB ILE 831 HB ILE 21 -1.505 13.132 3.214 138 HG12 ILE 831 HG12 ILE 21 -2.861 11.826 5.588 139 HG13 ILE 831 HG13 ILE 21 -2.987 11.069 4.023 140 HG21 ILE 831 HG21 ILE 21 -1.736 15.146 4.654 141 HG22 ILE 831 HG22 ILE 21 -0.982 13.845 5.535 142 HG23 ILE 831 HG23 ILE 21 -2.703 14.206 5.805 143 HD11 ILE 831 HD11 ILE 21 -0.554 10.967 3.784 144 HD12 ILE 831 HD12 ILE 21 -1.100 10.141 5.250 145 HD13 ILE 831 HD13 ILE 21 -0.351 11.730 5.369 146 H GLN 832 H GLN 22 -4.342 15.525 4.588 147 HA GLN 832 HA GLN 22 -3.627 17.492 2.455 148 HB2 GLN 832 HB2 GLN 22 -6.014 17.630 4.342 149 HB3 GLN 832 HB3 GLN 22 -5.627 18.771 3.061 150 HG2 GLN 832 HG2 GLN 22 -6.369 15.836 2.603 151 HG3 GLN 832 HG3 GLN 22 -7.489 17.161 2.560 152 HE21 GLN 832 HE21 GLN 22 -6.051 15.162 0.492 153 HE22 GLN 832 HE22 GLN 22 -5.947 16.252 -0.892 154 H GLY 833 H GLY 23 -2.524 19.229 3.018 155 HA2 GLY 833 HA2 GLY 23 -2.250 21.152 4.621 156 HA3 GLY 833 HA3 GLY 23 -2.112 19.981 5.885 157 H VAL 834 H VAL 24 -0.390 18.341 5.611 158 HA VAL 834 HA VAL 24 2.038 19.061 4.200 159 HB VAL 834 HB VAL 24 2.005 20.281 6.361 160 HG11 VAL 834 HG11 VAL 24 2.159 19.204 8.475 161 HG12 VAL 834 HG12 VAL 24 2.137 17.600 7.705 162 HG13 VAL 834 HG13 VAL 24 0.694 18.652 7.634 163 HG21 VAL 834 HG21 VAL 24 4.225 19.551 7.222 164 HG22 VAL 834 HG22 VAL 24 4.210 19.686 5.468 165 HG23 VAL 834 HG23 VAL 24 4.114 18.081 6.244 166 H ARG 835 H ARG 25 3.122 17.098 3.607 167 HA ARG 835 HA ARG 25 1.695 14.592 4.295 168 HB2 ARG 835 HB2 ARG 25 2.804 15.122 1.973 169 HB3 ARG 835 HB3 ARG 25 4.312 14.765 2.811 170 HG2 ARG 835 HG2 ARG 25 3.437 12.499 3.382 171 HG3 ARG 835 HG3 ARG 25 2.015 12.828 2.388 172 HD2 ARG 835 HD2 ARG 25 3.285 12.775 0.390 173 HD3 ARG 835 HD3 ARG 25 4.787 13.182 1.226 174 HE ARG 835 HE ARG 25 3.609 10.603 2.020 175 HH11 ARG 835 HH11 ARG 25 6.028 11.958 -0.178 176 HH12 ARG 835 HH12 ARG 25 6.948 10.484 -0.107 177 HH21 ARG 835 HH21 ARG 25 4.699 8.940 2.019 178 HH22 ARG 835 HH22 ARG 25 6.292 8.826 1.288 179 H TRP 836 H TRP 26 2.894 12.770 5.347 180 HA TRP 836 HA TRP 26 5.403 13.571 6.745 181 HB2 TRP 836 HB2 TRP 26 3.066 12.333 8.196 182 HB3 TRP 836 HB3 TRP 26 4.694 12.213 8.731 183 HD1 TRP 836 HD1 TRP 26 1.979 14.780 8.518 184 HE1 TRP 836 HE1 TRP 26 2.677 16.835 9.963 185 HE3 TRP 836 HE3 TRP 26 6.887 13.684 9.146 186 HZ2 TRP 836 HZ2 TRP 26 4.964 17.613 11.511 187 HZ3 TRP 836 HZ3 TRP 26 8.297 14.976 10.718 188 HH2 TRP 836 HH2 TRP 26 7.346 16.905 11.947 189 H HIS 837 H HIS 27 6.640 12.475 5.459 190 HA HIS 837 HA HIS 27 6.078 9.658 4.613 191 HB2 HIS 837 HB2 HIS 27 6.862 11.245 2.911 192 HB3 HIS 837 HB3 HIS 27 8.177 11.766 3.928 193 HD2 HIS 837 HD2 HIS 27 10.459 10.682 3.535 194 HE1 HIS 837 HE1 HIS 27 9.267 7.175 1.423 195 HE2 HIS 837 HE2 HIS 27 11.260 8.537 2.225 196 H CYS 838 H CYS 28 6.959 7.914 5.929 197 HA CYS 838 HA CYS 28 8.904 8.606 7.960 198 HB2 CYS 838 HB2 CYS 28 7.252 6.870 8.160 199 HB3 CYS 838 HB3 CYS 28 8.147 5.939 6.930 200 H GLN 839 H GLN 29 10.982 8.593 8.015 201 HA GLN 839 HA GLN 29 12.470 8.860 5.563 202 HB2 GLN 839 HB2 GLN 29 13.419 8.682 8.450 203 HB3 GLN 839 HB3 GLN 29 14.440 9.128 7.103 204 HG2 GLN 839 HG2 GLN 29 11.958 10.760 7.778 205 HG3 GLN 839 HG3 GLN 29 13.489 10.983 8.605 206 HE21 GLN 839 HE21 GLN 29 13.919 13.105 7.802 207 HE22 GLN 839 HE22 GLN 29 14.043 13.431 6.072 208 H ASP 840 H ASP 30 12.308 6.340 8.123 209 HA ASP 840 HA ASP 30 14.396 4.764 6.718 210 HB2 ASP 840 HB2 ASP 30 14.482 5.454 9.177 211 HB3 ASP 840 HB3 ASP 30 13.062 4.531 9.374 212 H CYS 841 H CYS 31 10.882 4.539 7.432 213 HA CYS 841 HA CYS 31 10.601 1.749 6.980 214 HB2 CYS 841 HB2 CYS 31 8.665 4.039 6.579 215 HB3 CYS 841 HB3 CYS 31 8.271 2.408 6.150 216 HA PRO 842 HA PRO 32 11.704 1.434 2.786 217 HB2 PRO 842 HB2 PRO 32 10.666 -0.956 1.978 218 HB3 PRO 842 HB3 PRO 32 11.887 -0.823 3.284 219 HG2 PRO 842 HG2 PRO 32 8.870 -1.040 3.570 220 HG3 PRO 842 HG3 PRO 32 10.136 -1.993 4.410 221 HD2 PRO 842 HD2 PRO 32 8.958 0.228 5.531 222 HD3 PRO 842 HD3 PRO 32 10.654 -0.216 5.839 223 HA PRO 843 HA PRO 33 8.671 3.148 -0.051 224 HB2 PRO 843 HB2 PRO 33 10.022 1.334 -2.073 225 HB3 PRO 843 HB3 PRO 33 9.524 3.042 -2.252 226 HG2 PRO 843 HG2 PRO 33 12.104 2.457 -1.728 227 HG3 PRO 843 HG3 PRO 33 11.308 3.769 -0.794 228 HD2 PRO 843 HD2 PRO 33 11.784 0.885 0.021 229 HD3 PRO 843 HD3 PRO 33 12.054 2.395 0.951 230 H GLU 844 H GLU 34 9.117 -0.363 -0.064 231 HA GLU 844 HA GLU 34 6.788 -1.280 -1.365 232 HB2 GLU 844 HB2 GLU 34 8.608 -2.715 -0.703 233 HB3 GLU 844 HB3 GLU 34 8.277 -2.426 0.997 234 HG2 GLU 844 HG2 GLU 34 7.483 -4.565 0.154 235 HG3 GLU 844 HG3 GLU 34 6.233 -3.586 0.874 236 H MET 845 H MET 35 7.222 -0.375 2.024 237 HA MET 845 HA MET 35 4.346 -0.644 2.657 238 HB2 MET 845 HB2 MET 35 6.700 0.337 4.292 239 HB3 MET 845 HB3 MET 35 5.029 0.288 4.870 240 HG2 MET 845 HG2 MET 35 6.522 -2.162 3.878 241 HG3 MET 845 HG3 MET 35 6.464 -1.654 5.562 242 HE1 MET 845 HE1 MET 35 4.436 -1.854 7.159 243 HE2 MET 845 HE2 MET 35 2.804 -2.358 6.670 244 HE3 MET 845 HE3 MET 35 3.424 -0.777 6.169 245 H SER 846 H SER 36 6.696 2.030 2.406 246 HA SER 846 HA SER 36 6.508 4.293 2.602 247 HB2 SER 846 HB2 SER 36 6.181 3.822 0.229 248 HB3 SER 846 HB3 SER 36 4.426 3.827 0.461 249 HG SER 846 HG SER 36 5.398 5.888 -0.250 250 H LEU 847 H LEU 37 5.760 4.159 4.781 251 HA LEU 847 HA LEU 37 2.901 4.443 5.326 252 HB2 LEU 847 HB2 LEU 37 5.369 4.293 7.041 253 HB3 LEU 847 HB3 LEU 37 3.837 4.763 7.733 254 HG LEU 847 HG LEU 37 3.432 2.342 6.134 255 HD11 LEU 847 HD11 LEU 37 5.773 2.208 7.984 256 HD12 LEU 847 HD12 LEU 37 5.741 1.889 6.267 257 HD13 LEU 847 HD13 LEU 37 4.891 0.785 7.373 258 HD21 LEU 847 HD21 LEU 37 2.167 3.153 8.243 259 HD22 LEU 847 HD22 LEU 37 3.324 2.080 9.071 260 HD23 LEU 847 HD23 LEU 37 2.315 1.458 7.796 261 H ASP 848 H ASP 38 1.820 6.192 6.252 262 HA ASP 848 HA ASP 38 3.101 8.836 5.986 263 HB2 ASP 848 HB2 ASP 38 0.560 8.050 4.546 264 HB3 ASP 848 HB3 ASP 38 1.224 9.673 4.684 265 H PHE 849 H PHE 39 2.161 10.506 7.130 266 HA PHE 849 HA PHE 39 -0.354 9.966 8.633 267 HB2 PHE 849 HB2 PHE 39 2.058 11.200 10.051 268 HB3 PHE 849 HB3 PHE 39 0.520 10.816 10.687 269 HD1 PHE 849 HD1 PHE 39 -0.287 8.435 10.760 270 HD2 PHE 849 HD2 PHE 39 3.791 9.522 9.935 271 HE1 PHE 849 HE1 PHE 39 0.445 6.103 11.316 272 HE2 PHE 849 HE2 PHE 39 4.523 7.239 10.495 273 HZ PHE 849 HZ PHE 39 2.854 5.510 11.197 274 H CYS 850 H CYS 40 -1.684 11.672 9.143 275 HA CYS 850 HA CYS 40 -1.533 14.091 7.660 276 HB2 CYS 850 HB2 CYS 40 -3.154 13.497 10.151 277 HB3 CYS 850 HB3 CYS 40 -3.585 14.616 8.864 278 H ASP 851 H ASP 41 -1.863 16.260 8.719 279 HA ASP 851 HA ASP 41 0.352 17.165 10.210 280 HB2 ASP 851 HB2 ASP 41 -0.748 19.231 10.296 281 HB3 ASP 851 HB3 ASP 41 -1.179 18.528 8.750 282 H SER 852 H SER 42 -2.737 15.907 11.372 283 HA SER 852 HA SER 42 -2.265 16.703 14.139 284 HB2 SER 852 HB2 SER 42 -4.523 16.808 13.147 285 HB3 SER 852 HB3 SER 42 -4.483 15.061 12.876 286 HG SER 852 HG SER 42 -4.553 16.473 15.355 287 H CYS 853 H CYS 43 -2.369 13.596 12.308 288 HA CYS 853 HA CYS 43 -2.011 12.077 14.727 289 HB2 CYS 853 HB2 CYS 43 -2.670 10.264 13.456 290 HB3 CYS 853 HB3 CYS 43 -3.627 11.638 12.878 291 H SER 854 H SER 44 0.072 13.196 12.216 292 HA SER 854 HA SER 44 2.320 11.464 12.453 293 HB2 SER 854 HB2 SER 44 3.645 13.446 11.826 294 HB3 SER 854 HB3 SER 44 2.193 13.319 10.836 295 HG SER 854 HG SER 44 1.356 15.036 11.781 296 H ASP 855 H ASP 45 0.848 13.395 14.879 297 HA ASP 855 HA ASP 45 3.230 13.786 16.522 298 HB2 ASP 855 HB2 ASP 45 1.220 15.343 16.458 299 HB3 ASP 855 HB3 ASP 45 0.302 14.076 17.280 300 H CYS 856 H CYS 46 1.300 11.099 15.786 301 HA CYS 856 HA CYS 46 1.014 10.115 18.504 302 HB2 CYS 856 HB2 CYS 46 -0.638 9.911 16.546 303 HB3 CYS 856 HB3 CYS 46 0.391 8.622 15.921 304 HG CYS 856 HG CYS 46 0.310 7.147 18.130 305 H LEU 857 H LEU 47 3.443 9.731 16.184 306 HA LEU 857 HA LEU 47 5.274 8.401 15.990 307 HB2 LEU 857 HB2 LEU 47 5.630 9.663 18.095 308 HB3 LEU 857 HB3 LEU 47 5.032 8.307 19.023 309 HG LEU 857 HG LEU 47 6.872 6.927 18.563 310 HD11 LEU 857 HD11 LEU 47 7.585 8.816 16.292 311 HD12 LEU 857 HD12 LEU 47 7.150 7.080 16.200 312 HD13 LEU 857 HD13 LEU 47 8.692 7.591 16.924 313 HD21 LEU 857 HD21 LEU 47 8.811 8.252 19.225 314 HD22 LEU 857 HD22 LEU 47 7.374 8.818 20.087 315 HD23 LEU 857 HD23 LEU 47 7.999 9.749 18.713 316 H HIS 858 H HIS 48 3.670 6.984 14.949 317 HA HIS 858 HA HIS 48 2.708 4.688 16.437 318 HB2 HIS 858 HB2 HIS 48 1.210 5.977 14.952 319 HB3 HIS 858 HB3 HIS 48 2.256 5.624 13.578 320 HD2 HIS 858 HD2 HIS 48 1.677 3.512 12.188 321 HE1 HIS 858 HE1 HIS 48 -0.988 1.586 14.908 322 HE2 HIS 858 HE2 HIS 48 -0.024 1.525 12.553 323 H GLU 859 H GLU 49 2.744 2.521 15.718 324 HA GLU 859 HA GLU 49 5.124 1.748 14.180 325 HB2 GLU 859 HB2 GLU 49 4.663 0.470 16.882 326 HB3 GLU 859 HB3 GLU 49 6.057 0.405 15.871 327 HG2 GLU 859 HG2 GLU 49 6.430 2.893 16.323 328 HG3 GLU 859 HG3 GLU 49 5.077 2.816 17.432 329 H THR 860 H THR 50 5.040 -0.214 13.216 330 HA THR 860 HA THR 50 2.648 -1.982 13.610 331 HB THR 860 HB THR 50 2.420 -2.350 11.257 332 HG1 THR 860 HG1 THR 50 3.696 -1.294 9.755 333 HG21 THR 860 HG21 THR 50 1.114 -0.450 11.930 334 HG22 THR 860 HG22 THR 50 1.848 -0.088 10.355 335 HG23 THR 860 HG23 THR 50 2.510 0.636 11.840 336 H ASP 861 H ASP 51 3.854 -3.684 11.385 337 HA ASP 861 HA ASP 51 5.778 -5.211 12.940 338 HB2 ASP 861 HB2 ASP 51 4.789 -5.463 10.130 339 HB3 ASP 861 HB3 ASP 51 5.867 -6.603 10.911 340 H ILE 862 H ILE 52 5.796 -2.722 10.451 341 HA ILE 862 HA ILE 52 8.744 -2.904 10.261 342 HB ILE 862 HB ILE 52 6.795 -2.073 8.126 343 HG12 ILE 862 HG12 ILE 52 8.763 -4.396 8.531 344 HG13 ILE 862 HG13 ILE 52 7.002 -4.531 8.581 345 HG21 ILE 862 HG21 ILE 52 8.906 -1.825 6.774 346 HG22 ILE 862 HG22 ILE 52 9.836 -1.991 8.285 347 HG23 ILE 862 HG23 ILE 52 8.748 -0.610 8.034 348 HD11 ILE 862 HD11 ILE 52 8.676 -3.922 6.164 349 HD12 ILE 862 HD12 ILE 52 6.883 -3.850 6.233 350 HD13 ILE 862 HD13 ILE 52 7.740 -5.383 6.520 351 H HIS 863 H HIS 53 5.936 -0.782 10.580 352 HA HIS 863 HA HIS 53 7.478 1.676 10.735 353 HB2 HIS 863 HB2 HIS 53 5.247 1.546 9.872 354 HB3 HIS 863 HB3 HIS 53 4.517 1.098 11.289 355 HD1 HIS 863 HD1 HIS 53 3.933 3.783 9.562 356 HD2 HIS 863 HD2 HIS 53 6.701 3.514 12.605 357 HE1 HIS 863 HE1 HIS 53 5.805 5.345 8.923 358 H LYS 864 H LYS 54 8.562 2.411 12.467 359 HA LYS 864 HA LYS 54 7.832 1.465 15.177 360 HB2 LYS 864 HB2 LYS 54 10.652 1.373 14.047 361 HB3 LYS 864 HB3 LYS 54 10.167 1.086 15.706 362 HG2 LYS 864 HG2 LYS 54 9.347 -0.640 13.294 363 HG3 LYS 864 HG3 LYS 54 10.639 -0.999 14.408 364 HD2 LYS 864 HD2 LYS 54 9.082 -1.389 16.237 365 HD3 LYS 864 HD3 LYS 54 7.760 -0.796 15.309 366 HE2 LYS 864 HE2 LYS 54 7.551 -3.105 15.168 367 HE3 LYS 864 HE3 LYS 54 8.141 -2.600 13.595 368 HZ1 LYS 864 HZ1 LYS 54 9.340 -4.563 14.425 369 HZ2 LYS 864 HZ2 LYS 54 9.829 -3.774 15.767 370 HZ3 LYS 864 HZ3 LYS 54 10.400 -3.329 14.294 371 H GLU 865 H GLU 55 8.944 2.722 16.918 372 HA GLU 865 HA GLU 55 9.243 5.532 16.264 373 HB2 GLU 865 HB2 GLU 55 9.311 5.883 18.591 374 HB3 GLU 865 HB3 GLU 55 8.063 4.692 18.248 375 HG2 GLU 865 HG2 GLU 55 9.747 2.902 18.933 376 HG3 GLU 865 HG3 GLU 55 10.860 4.185 19.379 377 H ASP 866 H ASP 56 11.392 3.159 15.687 378 HA ASP 866 HA ASP 56 13.759 3.986 17.057 379 HB2 ASP 866 HB2 ASP 56 13.163 1.713 16.097 380 HB3 ASP 866 HB3 ASP 56 13.534 2.411 14.528 381 H HIS 867 H HIS 57 12.067 5.196 14.331 382 HA HIS 867 HA HIS 57 14.351 6.686 13.216 383 HB2 HIS 867 HB2 HIS 57 12.948 6.164 11.070 384 HB3 HIS 867 HB3 HIS 57 14.029 4.982 11.709 385 HD1 HIS 867 HD1 HIS 57 12.945 2.939 10.789 386 HD2 HIS 867 HD2 HIS 57 10.313 5.753 12.397 387 HE1 HIS 867 HE1 HIS 57 10.739 2.847 9.520 388 H GLN 868 H GLN 58 13.077 8.081 11.391 389 HA GLN 868 HA GLN 58 11.476 10.059 12.885 390 HB2 GLN 868 HB2 GLN 58 13.776 10.674 12.939 391 HB3 GLN 868 HB3 GLN 58 14.016 10.259 11.238 392 HG2 GLN 868 HG2 GLN 58 12.700 12.103 10.493 393 HG3 GLN 868 HG3 GLN 58 12.216 12.514 12.155 394 HE21 GLN 868 HE21 GLN 58 14.182 13.044 13.663 395 HE22 GLN 868 HE22 GLN 58 15.474 13.941 12.886 396 H LEU 869 H LEU 59 10.151 11.449 11.633 397 HA LEU 869 HA LEU 59 9.381 10.483 8.911 398 HB2 LEU 869 HB2 LEU 59 7.834 12.262 10.838 399 HB3 LEU 869 HB3 LEU 59 7.261 11.551 9.333 400 HG LEU 869 HG LEU 59 6.206 10.581 11.189 401 HD11 LEU 869 HD11 LEU 59 6.598 9.199 9.221 402 HD12 LEU 869 HD12 LEU 59 6.522 8.223 10.702 403 HD13 LEU 869 HD13 LEU 59 8.102 8.570 9.997 404 HD21 LEU 869 HD21 LEU 59 7.081 9.272 12.916 405 HD22 LEU 869 HD22 LEU 59 7.985 10.790 12.936 406 HD23 LEU 869 HD23 LEU 59 8.716 9.309 12.257 407 H GLU 870 H GLU 60 9.049 11.969 7.254 408 HA GLU 870 HA GLU 60 10.489 14.568 7.510 409 HB2 GLU 870 HB2 GLU 60 11.257 12.803 5.862 410 HB3 GLU 870 HB3 GLU 60 9.724 12.967 5.055 411 HG2 GLU 870 HG2 GLU 60 11.134 14.259 3.800 412 HG3 GLU 870 HG3 GLU 60 10.298 15.466 4.774 413 HA PRO 871 HA PRO 61 6.286 16.247 6.873 414 HB2 PRO 871 HB2 PRO 61 6.770 18.868 7.453 415 HB3 PRO 871 HB3 PRO 61 6.582 17.617 8.707 416 HG2 PRO 871 HG2 PRO 61 9.143 18.787 7.600 417 HG3 PRO 871 HG3 PRO 61 8.736 18.419 9.301 418 HD2 PRO 871 HD2 PRO 61 10.230 16.768 7.640 419 HD3 PRO 871 HD3 PRO 61 9.286 16.163 9.027 420 H ILE 872 H ILE 62 5.429 17.043 4.912 421 HA ILE 872 HA ILE 62 7.338 18.373 3.026 422 HB ILE 872 HB ILE 62 5.129 16.614 2.089 423 HG12 ILE 872 HG12 ILE 62 6.548 15.118 3.525 424 HG13 ILE 872 HG13 ILE 62 6.439 14.670 1.844 425 HG21 ILE 872 HG21 ILE 62 6.117 18.160 0.487 426 HG22 ILE 872 HG22 ILE 62 6.521 16.498 0.044 427 HG23 ILE 872 HG23 ILE 62 7.737 17.541 0.811 428 HD11 ILE 872 HD11 ILE 62 8.793 16.220 2.996 429 HD12 ILE 872 HD12 ILE 62 8.682 15.472 1.391 430 HD13 ILE 872 HD13 ILE 62 8.733 14.451 2.837 431 H TYR 873 H TYR 63 6.740 20.301 2.555 432 HA TYR 873 HA TYR 63 4.045 21.259 3.205 433 HB2 TYR 873 HB2 TYR 63 6.747 22.606 2.919 434 HB3 TYR 873 HB3 TYR 63 5.265 23.497 3.122 435 HD1 TYR 873 HD1 TYR 63 7.862 21.679 4.869 436 HD2 TYR 873 HD2 TYR 63 3.762 23.014 5.156 437 HE1 TYR 873 HE1 TYR 63 7.932 21.378 7.328 438 HE2 TYR 873 HE2 TYR 63 3.843 22.715 7.621 439 HH TYR 873 HH TYR 63 6.809 21.671 9.340 440 H ARG 874 H ARG 64 4.920 19.857 0.685 441 HA ARG 874 HA ARG 64 3.456 21.499 -1.223 442 HB2 ARG 874 HB2 ARG 64 5.225 21.476 -2.953 443 HB3 ARG 874 HB3 ARG 64 5.645 22.466 -1.558 444 HG2 ARG 874 HG2 ARG 64 7.161 20.742 -0.706 445 HG3 ARG 874 HG3 ARG 64 6.631 19.605 -1.960 446 HD2 ARG 874 HD2 ARG 64 7.493 21.122 -3.704 447 HD3 ARG 874 HD3 ARG 64 8.015 22.266 -2.448 448 HE ARG 874 HE ARG 64 9.176 19.711 -1.912 449 HH11 ARG 874 HH11 ARG 64 9.537 22.299 -4.247 450 HH12 ARG 874 HH12 ARG 64 11.207 21.910 -4.560 451 HH21 ARG 874 HH21 ARG 64 11.301 19.265 -2.359 452 HH22 ARG 874 HH22 ARG 64 12.177 20.238 -3.507 453 H1 ALA 1 H1 ALA 65 -0.197 6.076 3.439 454 H2 ALA 1 H2 ALA 65 1.428 5.976 3.236 455 H3 ALA 1 H3 ALA 65 0.680 5.086 4.416 456 HA ALA 1 HA ALA 65 1.287 3.714 2.582 457 HB1 ALA 1 HB1 ALA 65 -0.931 2.713 2.123 458 HB2 ALA 1 HB2 ALA 65 -1.710 4.117 2.897 459 HB3 ALA 1 HB3 ALA 65 -0.663 3.029 3.841 460 H ARG 2 H ARG 66 1.948 3.849 0.615 461 HA ARG 2 HA ARG 66 1.277 5.749 -1.336 462 HB2 ARG 2 HB2 ARG 66 2.494 4.412 -2.897 463 HB3 ARG 2 HB3 ARG 66 3.310 4.368 -1.362 464 HG2 ARG 2 HG2 ARG 66 1.780 2.146 -2.756 465 HG3 ARG 2 HG3 ARG 66 3.477 2.210 -2.328 466 HD2 ARG 2 HD2 ARG 66 2.785 2.148 0.113 467 HD3 ARG 2 HD3 ARG 66 1.130 1.811 -0.404 468 HE ARG 2 HE ARG 66 3.429 0.009 -0.363 469 HH11 ARG 2 HH11 ARG 66 3.262 -2.047 -0.850 470 HH12 ARG 2 HH12 ARG 66 1.846 -2.694 -1.638 471 HH21 ARG 2 HH21 ARG 66 0.269 0.389 -1.875 472 HH22 ARG 2 HH22 ARG 66 0.168 -1.315 -2.229 473 H THR 3 H THR 67 -0.401 6.136 -2.472 474 HA THR 3 HA THR 67 -1.952 3.977 -3.837 475 HB THR 3 HB THR 67 -3.978 5.385 -3.643 476 HG1 THR 3 HG1 THR 67 -3.974 7.145 -2.283 477 HG21 THR 3 HG21 THR 67 -3.573 3.609 -1.931 478 HG22 THR 3 HG22 THR 67 -4.534 4.969 -1.333 479 HG23 THR 3 HG23 THR 67 -2.820 4.836 -0.886 480 HH31 ALY 4 H26 ALY 68 6.538 9.855 -9.953 481 HH32 ALY 4 H27 ALY 68 5.160 10.854 -10.477 482 HH33 ALY 4 H28 ALY 68 4.921 9.130 -10.088 483 HZ ALY 4 HZ1 ALY 68 3.236 10.548 -8.841 484 HE3 ALY 4 HE3 ALY 68 4.174 11.558 -6.229 485 HE2 ALY 4 HE2 ALY 68 2.535 11.650 -6.880 486 HD3 ALY 4 HD3 ALY 68 3.874 9.093 -5.878 487 HD2 ALY 4 HD2 ALY 68 2.757 10.096 -4.947 488 HG3 ALY 4 HG3 ALY 68 0.968 9.701 -6.604 489 HG2 ALY 4 HG2 ALY 68 2.070 8.671 -7.546 490 HB3 ALY 4 HB3 ALY 68 2.247 7.091 -5.671 491 HB2 ALY 4 HB2 ALY 68 1.312 8.168 -4.626 492 HCA ALY 4 HA ALY 68 -0.628 7.913 -6.251 493 H ALY 4 H ALY 68 0.386 5.937 -4.412 494 H GLN 5 H GLN 69 0.998 4.780 -6.750 495 HA GLN 5 HA GLN 69 1.591 5.097 -9.518 496 HB2 GLN 5 HB2 GLN 69 2.604 3.361 -8.146 497 HB3 GLN 5 HB3 GLN 69 1.037 2.613 -7.854 498 HG2 GLN 5 HG2 GLN 69 2.324 1.346 -9.508 499 HG3 GLN 5 HG3 GLN 69 0.839 1.961 -10.200 500 HE21 GLN 5 HE21 GLN 69 1.188 2.593 -12.325 501 HE22 GLN 5 HE22 GLN 69 2.684 3.341 -12.893 502 H THR 6 H THR 70 0.329 5.243 -11.258 503 HA THR 6 HA THR 70 -2.542 4.706 -11.176 504 HB THR 6 HB THR 70 -1.492 6.636 -12.400 505 HG1 THR 6 HG1 THR 70 -3.549 6.185 -12.966 506 HG21 THR 6 HG21 THR 70 -0.618 6.321 -14.636 507 HG22 THR 6 HG22 THR 70 -0.789 4.558 -14.528 508 HG23 THR 6 HG23 THR 70 0.394 5.413 -13.510 509 H ALA 7 H ALA 71 -3.641 3.399 -12.852 510 HA ALA 7 HA ALA 71 -4.190 1.386 -13.688 511 HB1 ALA 7 HB1 ALA 71 -2.900 2.456 -15.488 512 HB2 ALA 7 HB2 ALA 71 -2.816 0.689 -15.570 513 HB3 ALA 7 HB3 ALA 71 -1.435 1.611 -14.950 514 H ARG 8 H ARG 72 -3.262 1.070 -11.051 515 HA ARG 8 HA ARG 72 -2.521 -1.791 -11.028 516 HB2 ARG 8 HB2 ARG 72 -0.400 -0.481 -10.860 517 HB3 ARG 8 HB3 ARG 72 -1.025 0.300 -9.399 518 HG2 ARG 8 HG2 ARG 72 -1.133 -1.896 -8.263 519 HG3 ARG 8 HG3 ARG 72 -0.618 -2.707 -9.756 520 HD2 ARG 8 HD2 ARG 72 1.540 -1.433 -9.664 521 HD3 ARG 8 HD3 ARG 72 1.002 -0.664 -8.174 522 HE ARG 8 HE ARG 72 1.388 -2.604 -6.970 523 HH11 ARG 8 HH11 ARG 72 1.827 -3.416 -10.366 524 HH12 ARG 8 HH12 ARG 72 2.559 -4.947 -9.981 525 HH21 ARG 8 HH21 ARG 72 2.808 -5.588 -7.898 526 HH22 ARG 8 HH22 ARG 72 2.313 -4.566 -6.578 Start of MODEL 9 1 H1 GLY 811 H1 GLY 1 -6.152 24.200 -3.922 2 H2 GLY 811 H2 GLY 1 -7.074 22.872 -4.161 3 H3 GLY 811 H3 GLY 1 -5.566 22.715 -3.543 4 HA2 GLY 811 HA2 GLY 1 -7.834 24.049 -2.200 5 HA3 GLY 811 HA3 GLY 1 -7.223 22.433 -1.795 6 HA PRO 812 HA PRO 2 -5.135 26.109 0.458 7 HB2 PRO 812 HB2 PRO 2 -6.565 24.993 2.872 8 HB3 PRO 812 HB3 PRO 2 -6.207 26.697 2.451 9 HG2 PRO 812 HG2 PRO 2 -8.689 25.705 2.066 10 HG3 PRO 812 HG3 PRO 2 -7.933 26.738 0.806 11 HD2 PRO 812 HD2 PRO 2 -8.092 23.708 0.900 12 HD3 PRO 812 HD3 PRO 2 -8.470 24.821 -0.448 13 H LEU 813 H LEU 3 -3.242 26.020 1.613 14 HA LEU 813 HA LEU 3 -1.725 23.654 1.698 15 HB2 LEU 813 HB2 LEU 3 -1.259 26.214 3.285 16 HB3 LEU 813 HB3 LEU 3 -0.046 25.014 2.864 17 HG LEU 813 HG LEU 3 -1.508 26.839 0.900 18 HD11 LEU 813 HD11 LEU 3 1.379 26.813 1.866 19 HD12 LEU 813 HD12 LEU 3 0.134 27.988 2.338 20 HD13 LEU 813 HD13 LEU 3 0.679 27.918 0.654 21 HD21 LEU 813 HD21 LEU 3 0.122 26.027 -0.770 22 HD22 LEU 813 HD22 LEU 3 -0.911 24.712 -0.197 23 HD23 LEU 813 HD23 LEU 3 0.754 24.858 0.406 24 H GLY 814 H GLY 4 -3.855 24.869 4.180 25 HA2 GLY 814 HA2 GLY 4 -2.867 22.912 6.210 26 HA3 GLY 814 HA3 GLY 4 -3.965 24.260 6.491 27 H SER 815 H SER 5 -4.793 22.478 3.668 28 HA SER 815 HA SER 5 -6.725 20.725 5.007 29 HB2 SER 815 HB2 SER 5 -7.745 23.010 4.786 30 HB3 SER 815 HB3 SER 5 -7.619 22.845 3.032 31 HG SER 815 HG SER 5 -9.025 21.065 3.142 32 H VAL 816 H VAL 6 -4.314 20.333 3.368 33 HA VAL 816 HA VAL 6 -4.828 19.675 0.670 34 HB VAL 816 HB VAL 6 -2.710 18.783 2.676 35 HG11 VAL 816 HG11 VAL 6 -2.619 17.402 0.728 36 HG12 VAL 816 HG12 VAL 6 -1.217 18.481 0.843 37 HG13 VAL 816 HG13 VAL 6 -2.513 18.859 -0.319 38 HG21 VAL 816 HG21 VAL 6 -2.898 21.305 2.395 39 HG22 VAL 816 HG22 VAL 6 -2.532 21.078 0.676 40 HG23 VAL 816 HG23 VAL 6 -1.366 20.611 1.952 41 H GLN 817 H GLN 7 -5.609 17.921 -0.299 42 HA GLN 817 HA GLN 7 -6.303 15.552 1.370 43 HB2 GLN 817 HB2 GLN 7 -7.807 15.015 -0.479 44 HB3 GLN 817 HB3 GLN 7 -8.177 16.529 0.337 45 HG2 GLN 817 HG2 GLN 7 -8.173 17.689 -1.538 46 HG3 GLN 817 HG3 GLN 7 -6.530 17.214 -1.894 47 HE21 GLN 817 HE21 GLN 7 -6.215 15.057 -2.928 48 HE22 GLN 817 HE22 GLN 7 -7.420 14.565 -4.138 49 H HIS 818 H HIS 8 -4.971 13.843 1.326 50 HA HIS 818 HA HIS 8 -3.426 13.301 -1.187 51 HB2 HIS 818 HB2 HIS 8 -2.689 13.241 1.673 52 HB3 HIS 818 HB3 HIS 8 -2.183 11.849 0.734 53 HD2 HIS 818 HD2 HIS 8 -1.371 15.510 1.151 54 HE1 HIS 818 HE1 HIS 8 0.720 14.308 -2.355 55 HE2 HIS 818 HE2 HIS 8 0.318 16.224 -0.759 56 H VAL 819 H VAL 9 -5.515 12.560 -1.935 57 HA VAL 819 HA VAL 9 -6.544 9.964 -1.295 58 HB VAL 819 HB VAL 9 -6.583 11.534 -3.854 59 HG11 VAL 819 HG11 VAL 9 -8.132 9.017 -3.100 60 HG12 VAL 819 HG12 VAL 9 -6.918 9.156 -4.403 61 HG13 VAL 819 HG13 VAL 9 -8.440 10.045 -4.516 62 HG21 VAL 819 HG21 VAL 9 -8.949 11.938 -3.153 63 HG22 VAL 819 HG22 VAL 9 -7.810 12.577 -1.966 64 HG23 VAL 819 HG23 VAL 9 -8.646 11.040 -1.651 65 H GLY 820 H GLY 10 -5.737 8.006 -1.537 66 HA2 GLY 820 HA2 GLY 10 -4.345 6.322 -2.418 67 HA3 GLY 820 HA3 GLY 10 -3.349 7.534 -3.216 68 H PHE 821 H PHE 11 -3.739 8.623 -0.013 69 HA PHE 821 HA PHE 11 -1.546 6.881 1.051 70 HB2 PHE 821 HB2 PHE 11 -1.639 9.869 1.376 71 HB3 PHE 821 HB3 PHE 11 -0.376 8.756 1.867 72 HD1 PHE 821 HD1 PHE 11 -2.065 10.210 -1.131 73 HD2 PHE 821 HD2 PHE 11 1.553 8.620 0.561 74 HE1 PHE 821 HE1 PHE 11 -0.815 11.036 -3.084 75 HE2 PHE 821 HE2 PHE 11 2.799 9.343 -1.468 76 HZ PHE 821 HZ PHE 11 1.625 10.690 -3.213 77 H LYS 822 H LYS 12 -2.931 5.764 2.310 78 HA LYS 822 HA LYS 12 -4.582 7.055 4.454 79 HB2 LYS 822 HB2 LYS 12 -5.727 5.334 3.610 80 HB3 LYS 822 HB3 LYS 12 -4.372 4.408 3.153 81 HG2 LYS 822 HG2 LYS 12 -4.868 4.623 6.155 82 HG3 LYS 822 HG3 LYS 12 -6.079 3.837 5.199 83 HD2 LYS 822 HD2 LYS 12 -4.348 2.286 4.244 84 HD3 LYS 822 HD3 LYS 12 -3.123 3.155 5.182 85 HE2 LYS 822 HE2 LYS 12 -3.637 1.103 6.297 86 HE3 LYS 822 HE3 LYS 12 -4.161 2.478 7.277 87 HZ1 LYS 822 HZ1 LYS 12 -5.829 0.638 7.176 88 HZ2 LYS 822 HZ2 LYS 12 -5.994 0.835 5.569 89 HZ3 LYS 822 HZ3 LYS 12 -6.468 2.022 6.603 90 H CYS 823 H CYS 13 -3.928 6.938 6.630 91 HA CYS 823 HA CYS 13 -1.097 7.047 7.117 92 HB2 CYS 823 HB2 CYS 13 -2.412 8.637 8.173 93 HB3 CYS 823 HB3 CYS 13 -3.653 7.480 8.594 94 H ASP 824 H ASP 14 0.021 5.988 8.763 95 HA ASP 824 HA ASP 14 -0.462 3.054 9.055 96 HB2 ASP 824 HB2 ASP 14 2.009 4.802 9.333 97 HB3 ASP 824 HB3 ASP 14 1.946 3.137 9.870 98 H ASN 825 H ASN 15 0.046 6.009 11.025 99 HA ASN 825 HA ASN 15 0.208 4.629 13.581 100 HB2 ASN 825 HB2 ASN 15 1.000 6.926 13.313 101 HB3 ASN 825 HB3 ASN 15 -0.640 7.465 12.910 102 HD21 ASN 825 HD21 ASN 15 -2.145 7.731 14.598 103 HD22 ASN 825 HD22 ASN 15 -1.610 7.706 16.283 104 H CYS 826 H CYS 16 -2.512 6.481 12.127 105 HA CYS 826 HA CYS 16 -4.391 5.405 14.048 106 HB2 CYS 826 HB2 CYS 16 -4.979 7.207 11.694 107 HB3 CYS 826 HB3 CYS 16 -5.849 7.107 13.211 108 H GLY 827 H GLY 17 -3.647 4.981 10.653 109 HA2 GLY 827 HA2 GLY 17 -4.275 3.347 9.239 110 HA3 GLY 827 HA3 GLY 17 -5.511 2.757 10.331 111 H ILE 828 H ILE 18 -5.653 6.169 10.065 112 HA ILE 828 HA ILE 18 -8.214 6.172 8.901 113 HB ILE 828 HB ILE 18 -7.546 7.885 10.419 114 HG12 ILE 828 HG12 ILE 18 -7.862 9.203 7.673 115 HG13 ILE 828 HG13 ILE 18 -9.176 8.428 8.502 116 HG21 ILE 828 HG21 ILE 18 -5.540 8.913 8.362 117 HG22 ILE 828 HG22 ILE 18 -5.114 8.051 9.848 118 HG23 ILE 828 HG23 ILE 18 -5.921 9.594 9.957 119 HD11 ILE 828 HD11 ILE 18 -8.895 10.002 10.431 120 HD12 ILE 828 HD12 ILE 18 -9.364 10.774 8.897 121 HD13 ILE 828 HD13 ILE 18 -7.694 10.896 9.464 122 H GLU 829 H GLU 19 -8.910 6.640 6.957 123 HA GLU 829 HA GLU 19 -7.467 5.843 4.639 124 HB2 GLU 829 HB2 GLU 19 -9.814 7.537 4.275 125 HB3 GLU 829 HB3 GLU 19 -9.419 5.983 3.557 126 HG2 GLU 829 HG2 GLU 19 -11.328 5.460 4.691 127 HG3 GLU 829 HG3 GLU 19 -10.060 4.867 5.748 128 HA PRO 830 HA PRO 20 -5.486 8.928 2.433 129 HB2 PRO 830 HB2 PRO 20 -8.100 10.164 1.520 130 HB3 PRO 830 HB3 PRO 20 -6.505 10.204 0.711 131 HG2 PRO 830 HG2 PRO 20 -8.247 8.294 0.060 132 HG3 PRO 830 HG3 PRO 20 -6.530 7.851 0.347 133 HD2 PRO 830 HD2 PRO 20 -8.914 7.515 2.123 134 HD3 PRO 830 HD3 PRO 20 -7.451 6.485 2.000 135 H ILE 831 H ILE 21 -4.342 10.176 3.641 136 HA ILE 831 HA ILE 21 -5.209 11.641 5.842 137 HB ILE 831 HB ILE 21 -2.656 11.790 4.215 138 HG12 ILE 831 HG12 ILE 21 -3.080 10.555 6.972 139 HG13 ILE 831 HG13 ILE 21 -3.419 9.641 5.526 140 HG21 ILE 831 HG21 ILE 21 -2.754 13.922 5.403 141 HG22 ILE 831 HG22 ILE 21 -1.601 12.887 6.233 142 HG23 ILE 831 HG23 ILE 21 -3.220 13.108 6.909 143 HD11 ILE 831 HD11 ILE 21 -1.178 9.147 6.280 144 HD12 ILE 831 HD12 ILE 21 -0.715 10.847 6.179 145 HD13 ILE 831 HD13 ILE 21 -1.141 9.956 4.702 146 H GLN 832 H GLN 22 -5.675 13.664 6.374 147 HA GLN 832 HA GLN 22 -6.023 15.628 4.151 148 HB2 GLN 832 HB2 GLN 22 -7.626 15.381 6.713 149 HB3 GLN 832 HB3 GLN 22 -7.897 16.515 5.387 150 HG2 GLN 832 HG2 GLN 22 -8.148 13.485 5.168 151 HG3 GLN 832 HG3 GLN 22 -9.474 14.599 5.391 152 HE21 GLN 832 HE21 GLN 22 -8.226 12.763 3.043 153 HE22 GLN 832 HE22 GLN 22 -8.670 13.775 1.664 154 H GLY 833 H GLY 23 -5.324 17.658 4.371 155 HA2 GLY 833 HA2 GLY 23 -4.947 19.649 5.764 156 HA3 GLY 833 HA3 GLY 23 -4.212 18.644 6.960 157 H VAL 834 H VAL 24 -2.401 17.283 6.158 158 HA VAL 834 HA VAL 24 -0.538 18.292 4.191 159 HB VAL 834 HB VAL 24 -0.291 19.699 6.255 160 HG11 VAL 834 HG11 VAL 24 0.683 17.214 7.646 161 HG12 VAL 834 HG12 VAL 24 -0.889 18.010 7.912 162 HG13 VAL 834 HG13 VAL 24 0.611 18.872 8.291 163 HG21 VAL 834 HG21 VAL 24 1.681 19.426 4.839 164 HG22 VAL 834 HG22 VAL 24 2.106 17.909 5.687 165 HG23 VAL 834 HG23 VAL 24 2.156 19.461 6.532 166 H ARG 835 H ARG 25 0.753 16.468 3.533 167 HA ARG 835 HA ARG 25 0.185 13.906 5.012 168 HB2 ARG 835 HB2 ARG 25 -0.160 13.827 2.615 169 HB3 ARG 835 HB3 ARG 25 1.509 14.323 2.306 170 HG2 ARG 835 HG2 ARG 25 2.335 12.226 3.311 171 HG3 ARG 835 HG3 ARG 25 0.675 11.784 3.772 172 HD2 ARG 835 HD2 ARG 25 1.192 10.562 1.813 173 HD3 ARG 835 HD3 ARG 25 0.061 11.796 1.336 174 HE ARG 835 HE ARG 25 1.678 12.805 0.007 175 HH11 ARG 835 HH11 ARG 25 3.172 10.163 1.801 176 HH12 ARG 835 HH12 ARG 25 4.648 10.263 0.882 177 HH21 ARG 835 HH21 ARG 25 3.647 12.848 -1.136 178 HH22 ARG 835 HH22 ARG 25 4.884 11.701 -0.733 179 H TRP 836 H TRP 26 1.996 12.558 5.581 180 HA TRP 836 HA TRP 26 4.557 14.051 5.980 181 HB2 TRP 836 HB2 TRP 26 3.155 12.386 8.092 182 HB3 TRP 836 HB3 TRP 26 4.839 12.739 8.093 183 HD1 TRP 836 HD1 TRP 26 1.557 14.611 8.565 184 HE1 TRP 836 HE1 TRP 26 2.096 16.899 9.681 185 HE3 TRP 836 HE3 TRP 26 6.602 14.607 8.037 186 HZ2 TRP 836 HZ2 TRP 26 4.435 18.318 10.533 187 HZ3 TRP 836 HZ3 TRP 26 8.016 16.314 9.153 188 HH2 TRP 836 HH2 TRP 26 6.947 18.147 10.445 189 H HIS 837 H HIS 27 5.747 13.169 4.548 190 HA HIS 837 HA HIS 27 5.503 10.299 3.752 191 HB2 HIS 837 HB2 HIS 27 5.645 12.151 2.036 192 HB3 HIS 837 HB3 HIS 27 7.213 12.590 2.683 193 HD2 HIS 837 HD2 HIS 27 9.306 11.285 1.798 194 HE1 HIS 837 HE1 HIS 27 7.290 8.230 -0.396 195 HE2 HIS 837 HE2 HIS 27 9.561 9.247 0.144 196 H CYS 838 H CYS 28 6.723 8.844 4.759 197 HA CYS 838 HA CYS 28 8.843 9.569 6.518 198 HB2 CYS 838 HB2 CYS 28 7.705 7.054 5.349 199 HB3 CYS 838 HB3 CYS 28 9.341 7.015 6.019 200 H GLN 839 H GLN 29 11.036 9.963 6.179 201 HA GLN 839 HA GLN 29 11.886 10.179 3.421 202 HB2 GLN 839 HB2 GLN 29 13.406 10.589 6.009 203 HB3 GLN 839 HB3 GLN 29 14.056 10.887 4.405 204 HG2 GLN 839 HG2 GLN 29 11.942 12.403 4.051 205 HG3 GLN 839 HG3 GLN 29 11.875 12.447 5.811 206 HE21 GLN 839 HE21 GLN 29 12.706 14.443 3.484 207 HE22 GLN 839 HE22 GLN 29 14.191 15.122 4.150 208 H ASP 840 H ASP 30 12.673 7.856 6.024 209 HA ASP 840 HA ASP 30 14.738 6.597 4.284 210 HB2 ASP 840 HB2 ASP 30 15.268 7.461 6.569 211 HB3 ASP 840 HB3 ASP 30 14.152 6.284 7.223 212 H CYS 841 H CYS 31 11.610 5.841 5.839 213 HA CYS 841 HA CYS 31 11.745 3.022 5.429 214 HB2 CYS 841 HB2 CYS 31 9.270 4.764 5.468 215 HB3 CYS 841 HB3 CYS 31 9.339 3.030 5.589 216 HA PRO 842 HA PRO 32 12.033 3.003 1.103 217 HB2 PRO 842 HB2 PRO 32 11.434 0.451 0.357 218 HB3 PRO 842 HB3 PRO 32 12.817 0.856 1.419 219 HG2 PRO 842 HG2 PRO 32 10.044 -0.059 2.254 220 HG3 PRO 842 HG3 PRO 32 11.624 -0.719 2.777 221 HD2 PRO 842 HD2 PRO 32 10.253 1.143 4.246 222 HD3 PRO 842 HD3 PRO 32 12.033 1.099 4.186 223 HA PRO 843 HA PRO 33 8.263 4.054 -1.051 224 HB2 PRO 843 HB2 PRO 33 9.533 2.586 -3.386 225 HB3 PRO 843 HB3 PRO 33 8.687 4.163 -3.375 226 HG2 PRO 843 HG2 PRO 33 11.382 4.107 -3.367 227 HG3 PRO 843 HG3 PRO 33 10.535 5.206 -2.221 228 HD2 PRO 843 HD2 PRO 33 11.714 2.469 -1.678 229 HD3 PRO 843 HD3 PRO 33 11.858 3.984 -0.734 230 H GLU 844 H GLU 34 9.354 0.692 -1.374 231 HA GLU 844 HA GLU 34 6.955 -0.541 -2.229 232 HB2 GLU 844 HB2 GLU 34 9.138 -1.634 -2.124 233 HB3 GLU 844 HB3 GLU 34 9.121 -1.571 -0.351 234 HG2 GLU 844 HG2 GLU 34 7.283 -3.133 -0.237 235 HG3 GLU 844 HG3 GLU 34 6.985 -2.995 -1.973 236 H MET 845 H MET 35 7.912 0.503 1.004 237 HA MET 845 HA MET 35 5.392 -0.462 2.262 238 HB2 MET 845 HB2 MET 35 7.834 0.936 3.400 239 HB3 MET 845 HB3 MET 35 6.405 0.469 4.329 240 HG2 MET 845 HG2 MET 35 8.130 -1.489 2.779 241 HG3 MET 845 HG3 MET 35 8.323 -1.123 4.494 242 HE1 MET 845 HE1 MET 35 5.446 -1.037 5.785 243 HE2 MET 845 HE2 MET 35 6.826 -1.979 6.415 244 HE3 MET 845 HE3 MET 35 5.236 -2.751 6.188 245 H SER 846 H SER 36 7.103 2.595 1.609 246 HA SER 846 HA SER 36 6.576 4.781 1.857 247 HB2 SER 846 HB2 SER 36 5.714 4.177 -0.361 248 HB3 SER 846 HB3 SER 36 4.106 3.938 0.345 249 HG SER 846 HG SER 36 4.499 6.093 -0.570 250 H LEU 847 H LEU 37 6.444 4.825 4.125 251 HA LEU 847 HA LEU 37 3.865 4.430 5.444 252 HB2 LEU 847 HB2 LEU 37 6.666 5.007 6.417 253 HB3 LEU 847 HB3 LEU 37 5.307 5.427 7.421 254 HG LEU 847 HG LEU 37 4.544 2.870 6.916 255 HD11 LEU 847 HD11 LEU 37 6.383 1.368 6.737 256 HD12 LEU 847 HD12 LEU 37 7.556 2.688 6.828 257 HD13 LEU 847 HD13 LEU 37 6.535 2.508 5.377 258 HD21 LEU 847 HD21 LEU 37 4.914 3.780 9.094 259 HD22 LEU 847 HD22 LEU 37 6.668 3.785 8.777 260 HD23 LEU 847 HD23 LEU 37 5.784 2.236 8.940 261 H ASP 848 H ASP 38 2.661 6.010 6.582 262 HA ASP 848 HA ASP 38 3.219 8.810 5.931 263 HB2 ASP 848 HB2 ASP 38 0.590 7.542 5.148 264 HB3 ASP 848 HB3 ASP 38 1.013 9.253 5.096 265 H PHE 849 H PHE 39 2.298 10.310 7.227 266 HA PHE 849 HA PHE 39 0.487 9.411 9.402 267 HB2 PHE 849 HB2 PHE 39 2.963 11.127 9.981 268 HB3 PHE 849 HB3 PHE 39 1.772 10.550 11.075 269 HD1 PHE 849 HD1 PHE 39 4.462 9.271 8.696 270 HD2 PHE 849 HD2 PHE 39 1.953 8.485 12.129 271 HE1 PHE 849 HE1 PHE 39 5.583 7.168 9.060 272 HE2 PHE 849 HE2 PHE 39 3.135 6.322 12.484 273 HZ PHE 849 HZ PHE 39 4.994 5.643 10.932 274 H CYS 850 H CYS 40 -1.014 10.853 10.150 275 HA CYS 850 HA CYS 40 -1.730 13.081 8.567 276 HB2 CYS 850 HB2 CYS 40 -2.592 12.433 11.408 277 HB3 CYS 850 HB3 CYS 40 -3.530 13.284 10.186 278 H ASP 851 H ASP 41 -2.382 15.205 9.670 279 HA ASP 851 HA ASP 41 -0.159 16.756 10.452 280 HB2 ASP 851 HB2 ASP 41 -1.676 18.498 10.759 281 HB3 ASP 851 HB3 ASP 41 -2.345 17.544 9.451 282 H SER 852 H SER 42 -2.465 14.969 12.468 283 HA SER 852 HA SER 42 -1.428 16.072 14.959 284 HB2 SER 852 HB2 SER 42 -3.835 15.685 14.644 285 HB3 SER 852 HB3 SER 42 -3.528 13.952 14.431 286 HG SER 852 HG SER 42 -3.205 15.533 16.783 287 H CYS 853 H CYS 43 -1.372 12.869 13.303 288 HA CYS 853 HA CYS 43 -0.126 11.632 15.578 289 HB2 CYS 853 HB2 CYS 43 -0.692 9.643 14.590 290 HB3 CYS 853 HB3 CYS 43 -1.998 10.755 14.166 291 H SER 854 H SER 44 1.025 13.000 12.641 292 HA SER 854 HA SER 44 3.579 11.749 12.371 293 HB2 SER 854 HB2 SER 44 4.261 13.883 11.337 294 HB3 SER 854 HB3 SER 44 2.679 13.367 10.758 295 HG SER 854 HG SER 44 1.757 14.994 11.753 296 H ASP 855 H ASP 45 2.342 13.449 15.055 297 HA ASP 855 HA ASP 45 4.857 14.468 16.111 298 HB2 ASP 855 HB2 ASP 45 2.569 15.383 16.671 299 HB3 ASP 855 HB3 ASP 45 2.233 13.874 17.533 300 H CYS 856 H CYS 46 3.584 11.342 15.668 301 HA CYS 856 HA CYS 46 4.622 10.201 18.160 302 HB2 CYS 856 HB2 CYS 46 2.403 9.514 17.401 303 HB3 CYS 856 HB3 CYS 46 3.105 8.893 15.886 304 HG CYS 856 HG CYS 46 2.517 6.871 17.416 305 H LEU 857 H LEU 47 6.350 8.934 18.282 306 HA LEU 857 HA LEU 47 8.121 8.708 15.913 307 HB2 LEU 857 HB2 LEU 47 9.000 9.779 17.893 308 HB3 LEU 857 HB3 LEU 47 8.727 8.334 18.869 309 HG LEU 857 HG LEU 47 10.441 7.105 17.722 310 HD11 LEU 857 HD11 LEU 47 10.092 7.630 15.416 311 HD12 LEU 857 HD12 LEU 47 11.725 8.223 15.795 312 HD13 LEU 857 HD13 LEU 47 10.390 9.370 15.687 313 HD21 LEU 857 HD21 LEU 47 11.394 9.987 18.052 314 HD22 LEU 857 HD22 LEU 47 12.410 8.533 18.091 315 HD23 LEU 857 HD23 LEU 47 11.212 8.800 19.365 316 H HIS 858 H HIS 48 6.666 7.205 14.975 317 HA HIS 858 HA HIS 48 6.146 4.664 16.328 318 HB2 HIS 858 HB2 HIS 48 4.341 5.969 15.184 319 HB3 HIS 858 HB3 HIS 48 5.183 5.739 13.652 320 HD2 HIS 858 HD2 HIS 48 4.027 3.885 12.255 321 HE1 HIS 858 HE1 HIS 48 2.784 1.260 15.384 322 HE2 HIS 858 HE2 HIS 48 2.796 1.633 12.866 323 H GLU 859 H GLU 49 6.369 2.592 15.218 324 HA GLU 859 HA GLU 49 8.434 2.387 13.146 325 HB2 GLU 859 HB2 GLU 49 8.732 0.829 15.767 326 HB3 GLU 859 HB3 GLU 49 9.907 1.010 14.514 327 HG2 GLU 859 HG2 GLU 49 10.142 3.451 15.153 328 HG3 GLU 859 HG3 GLU 49 9.002 3.134 16.458 329 H THR 860 H THR 50 8.659 0.294 12.198 330 HA THR 860 HA THR 50 6.549 -1.711 12.903 331 HB THR 860 HB THR 50 5.958 -2.076 10.628 332 HG1 THR 860 HG1 THR 50 6.897 -0.864 8.962 333 HG21 THR 860 HG21 THR 50 4.965 0.033 9.915 334 HG22 THR 860 HG22 THR 50 5.995 0.937 11.048 335 HG23 THR 860 HG23 THR 50 4.765 -0.176 11.670 336 H ASP 861 H ASP 51 7.410 -3.365 10.633 337 HA ASP 861 HA ASP 51 9.709 -4.751 11.754 338 HB2 ASP 861 HB2 ASP 51 8.111 -5.163 9.266 339 HB3 ASP 861 HB3 ASP 51 9.381 -6.239 9.829 340 H ILE 862 H ILE 52 9.114 -2.295 9.391 341 HA ILE 862 HA ILE 52 11.924 -2.412 8.480 342 HB ILE 862 HB ILE 52 9.433 -1.586 7.013 343 HG12 ILE 862 HG12 ILE 52 11.697 -3.626 6.651 344 HG13 ILE 862 HG13 ILE 52 10.041 -3.991 7.123 345 HG21 ILE 862 HG21 ILE 52 11.161 -0.911 5.227 346 HG22 ILE 862 HG22 ILE 52 12.359 -0.901 6.546 347 HG23 ILE 862 HG23 ILE 52 10.965 0.201 6.585 348 HD11 ILE 862 HD11 ILE 52 10.900 -2.937 4.433 349 HD12 ILE 862 HD12 ILE 52 9.216 -3.185 4.983 350 HD13 ILE 862 HD13 ILE 52 10.324 -4.564 4.837 351 H HIS 863 H HIS 53 9.213 -0.300 9.452 352 HA HIS 863 HA HIS 53 10.832 2.108 9.314 353 HB2 HIS 863 HB2 HIS 53 8.496 2.406 9.072 354 HB3 HIS 863 HB3 HIS 53 8.082 1.489 10.452 355 HD1 HIS 863 HD1 HIS 53 10.858 4.186 11.213 356 HD2 HIS 863 HD2 HIS 53 6.779 3.693 10.938 357 HE1 HIS 863 HE1 HIS 53 9.918 6.478 11.074 358 H LYS 864 H LYS 54 12.215 2.747 10.785 359 HA LYS 864 HA LYS 54 11.551 2.133 13.615 360 HB2 LYS 864 HB2 LYS 54 14.307 2.135 12.306 361 HB3 LYS 864 HB3 LYS 54 13.956 1.907 14.003 362 HG2 LYS 864 HG2 LYS 54 13.000 0.015 11.714 363 HG3 LYS 864 HG3 LYS 54 14.431 -0.234 12.644 364 HD2 LYS 864 HD2 LYS 54 13.105 -0.518 14.735 365 HD3 LYS 864 HD3 LYS 54 11.658 -0.201 13.868 366 HE2 LYS 864 HE2 LYS 54 11.688 -2.503 13.906 367 HE3 LYS 864 HE3 LYS 54 12.242 -2.129 12.285 368 HZ1 LYS 864 HZ1 LYS 54 13.640 -3.841 13.353 369 HZ2 LYS 864 HZ2 LYS 54 14.016 -2.841 14.583 370 HZ3 LYS 864 HZ3 LYS 54 14.552 -2.519 13.072 371 H GLU 865 H GLU 55 12.615 3.512 15.188 372 HA GLU 865 HA GLU 55 12.245 6.290 14.674 373 HB2 GLU 865 HB2 GLU 55 12.873 6.563 16.974 374 HB3 GLU 865 HB3 GLU 55 11.845 5.151 16.820 375 HG2 GLU 865 HG2 GLU 55 14.004 3.754 16.837 376 HG3 GLU 865 HG3 GLU 55 14.877 5.236 17.197 377 H ASP 866 H ASP 56 14.643 4.558 13.446 378 HA ASP 866 HA ASP 56 17.033 6.044 13.948 379 HB2 ASP 866 HB2 ASP 56 16.164 4.277 11.700 380 HB3 ASP 866 HB3 ASP 56 17.786 4.934 11.854 381 H HIS 867 H HIS 57 14.145 6.611 11.933 382 HA HIS 867 HA HIS 57 15.609 8.740 10.524 383 HB2 HIS 867 HB2 HIS 57 14.631 8.284 8.693 384 HB3 HIS 867 HB3 HIS 57 14.766 6.648 9.307 385 HD1 HIS 867 HD1 HIS 57 12.427 9.290 8.084 386 HD2 HIS 867 HD2 HIS 57 12.283 5.524 9.921 387 HE1 HIS 867 HE1 HIS 57 10.057 8.514 7.815 388 H GLN 868 H GLN 58 13.783 9.922 9.281 389 HA GLN 868 HA GLN 58 12.142 11.505 11.131 390 HB2 GLN 868 HB2 GLN 58 13.110 13.596 10.444 391 HB3 GLN 868 HB3 GLN 58 14.363 12.563 11.121 392 HG2 GLN 868 HG2 GLN 58 13.888 13.005 8.138 393 HG3 GLN 868 HG3 GLN 58 15.072 13.870 9.097 394 HE21 GLN 868 HE21 GLN 58 16.965 12.659 9.917 395 HE22 GLN 868 HE22 GLN 58 17.342 11.104 9.194 396 H LEU 869 H LEU 59 10.582 12.799 10.134 397 HA LEU 869 HA LEU 59 9.558 11.808 7.495 398 HB2 LEU 869 HB2 LEU 59 8.120 13.580 9.497 399 HB3 LEU 869 HB3 LEU 59 7.441 12.610 8.190 400 HG LEU 869 HG LEU 59 6.713 11.702 10.154 401 HD11 LEU 869 HD11 LEU 59 7.392 10.126 8.454 402 HD12 LEU 869 HD12 LEU 59 7.450 9.435 10.080 403 HD13 LEU 869 HD13 LEU 59 8.967 9.909 9.287 404 HD21 LEU 869 HD21 LEU 59 7.896 10.964 12.051 405 HD22 LEU 869 HD22 LEU 59 8.441 12.620 11.737 406 HD23 LEU 869 HD23 LEU 59 9.474 11.231 11.308 407 H GLU 870 H GLU 60 8.580 13.183 5.977 408 HA GLU 870 HA GLU 60 9.352 16.054 6.268 409 HB2 GLU 870 HB2 GLU 60 9.752 16.268 3.970 410 HB3 GLU 870 HB3 GLU 60 10.828 15.074 4.681 411 HG2 GLU 870 HG2 GLU 60 9.544 13.274 3.623 412 HG3 GLU 870 HG3 GLU 60 8.354 14.446 3.026 413 HA PRO 871 HA PRO 61 4.947 16.628 5.848 414 HB2 PRO 871 HB2 PRO 61 4.780 19.325 6.021 415 HB3 PRO 871 HB3 PRO 61 5.285 18.323 7.414 416 HG2 PRO 871 HG2 PRO 61 7.055 19.836 5.463 417 HG3 PRO 871 HG3 PRO 61 7.151 19.802 7.251 418 HD2 PRO 871 HD2 PRO 61 8.696 18.197 5.615 419 HD3 PRO 871 HD3 PRO 61 8.178 17.708 7.253 420 H ILE 872 H ILE 62 3.401 17.232 4.230 421 HA ILE 872 HA ILE 62 4.474 18.411 1.704 422 HB ILE 872 HB ILE 62 2.478 16.188 1.747 423 HG12 ILE 872 HG12 ILE 62 4.545 15.233 2.823 424 HG13 ILE 872 HG13 ILE 62 4.043 14.440 1.366 425 HG21 ILE 872 HG21 ILE 62 4.340 17.235 -0.431 426 HG22 ILE 872 HG22 ILE 62 2.641 17.641 -0.250 427 HG23 ILE 872 HG23 ILE 62 3.109 15.976 -0.625 428 HD11 ILE 872 HD11 ILE 62 6.220 16.545 1.398 429 HD12 ILE 872 HD12 ILE 62 5.786 15.457 0.064 430 HD13 ILE 872 HD13 ILE 62 6.504 14.795 1.548 431 H TYR 873 H TYR 63 3.462 20.171 1.396 432 HA TYR 873 HA TYR 63 0.895 20.740 2.689 433 HB2 TYR 873 HB2 TYR 63 3.034 22.558 1.520 434 HB3 TYR 873 HB3 TYR 63 1.553 23.109 2.280 435 HD1 TYR 873 HD1 TYR 63 1.052 22.384 4.705 436 HD2 TYR 873 HD2 TYR 63 4.968 22.171 2.903 437 HE1 TYR 873 HE1 TYR 63 2.090 22.336 6.963 438 HE2 TYR 873 HE2 TYR 63 6.006 22.137 5.163 439 HH TYR 873 HH TYR 63 5.638 22.320 7.448 440 H ARG 874 H ARG 64 1.369 19.300 0.038 441 HA ARG 874 HA ARG 64 -0.715 20.596 -1.552 442 HB2 ARG 874 HB2 ARG 64 0.721 20.740 -3.566 443 HB3 ARG 874 HB3 ARG 64 1.186 21.854 -2.274 444 HG2 ARG 874 HG2 ARG 64 3.099 20.438 -1.671 445 HG3 ARG 874 HG3 ARG 64 2.604 19.219 -2.867 446 HD2 ARG 874 HD2 ARG 64 2.831 20.880 -4.661 447 HD3 ARG 874 HD3 ARG 64 3.317 22.106 -3.464 448 HE ARG 874 HE ARG 64 5.043 19.840 -3.235 449 HH11 ARG 874 HH11 ARG 64 7.124 19.858 -4.021 450 HH12 ARG 874 HH12 ARG 64 7.581 20.983 -5.262 451 HH21 ARG 874 HH21 ARG 64 4.490 22.462 -5.487 452 HH22 ARG 874 HH22 ARG 64 6.130 22.428 -6.082 453 H1 ALA 1 H1 ALA 65 1.374 4.663 5.215 454 H2 ALA 1 H2 ALA 65 0.039 5.317 4.503 455 H3 ALA 1 H3 ALA 65 1.524 5.572 3.842 456 HA ALA 1 HA ALA 65 1.770 3.276 3.345 457 HB1 ALA 1 HB1 ALA 65 -0.144 1.748 3.594 458 HB2 ALA 1 HB2 ALA 65 -1.054 3.024 4.428 459 HB3 ALA 1 HB3 ALA 65 0.418 2.350 5.161 460 H ARG 2 H ARG 66 1.881 3.475 1.245 461 HA ARG 2 HA ARG 66 0.122 4.944 -0.417 462 HB2 ARG 2 HB2 ARG 66 1.256 4.085 -2.275 463 HB3 ARG 2 HB3 ARG 66 2.444 4.273 -1.014 464 HG2 ARG 2 HG2 ARG 66 1.264 1.695 -2.131 465 HG3 ARG 2 HG3 ARG 66 2.918 2.258 -2.242 466 HD2 ARG 2 HD2 ARG 66 3.302 1.883 0.118 467 HD3 ARG 2 HD3 ARG 66 1.621 1.439 0.405 468 HE ARG 2 HE ARG 66 3.718 -0.245 -0.629 469 HH11 ARG 2 HH11 ARG 66 3.341 -2.333 -1.015 470 HH12 ARG 2 HH12 ARG 66 1.718 -2.951 -1.176 471 HH21 ARG 2 HH21 ARG 66 0.191 0.112 -0.650 472 HH22 ARG 2 HH22 ARG 66 -0.029 -1.591 -0.949 473 H THR 3 H THR 67 -1.814 4.664 -1.032 474 HA THR 3 HA THR 67 -2.906 1.995 -1.818 475 HB THR 3 HB THR 67 -5.149 2.850 -1.173 476 HG1 THR 3 HG1 THR 67 -5.306 4.729 0.005 477 HG21 THR 3 HG21 THR 67 -3.239 3.024 1.190 478 HG22 THR 3 HG22 THR 67 -3.805 1.495 0.476 479 HG23 THR 3 HG23 THR 67 -4.961 2.614 1.224 480 HH31 ALY 4 H26 ALY 68 0.011 10.073 -10.810 481 HH32 ALY 4 H27 ALY 68 -1.613 10.648 -10.353 482 HH33 ALY 4 H28 ALY 68 -1.233 8.917 -10.289 483 HZ ALY 4 HZ1 ALY 68 -2.211 9.480 -8.104 484 HE3 ALY 4 HE3 ALY 68 -0.332 10.656 -6.137 485 HE2 ALY 4 HE2 ALY 68 -2.031 10.263 -5.868 486 HD3 ALY 4 HD3 ALY 68 0.206 8.205 -6.197 487 HD2 ALY 4 HD2 ALY 68 -0.449 8.777 -4.661 488 HG3 ALY 4 HG3 ALY 68 -2.739 7.951 -5.429 489 HG2 ALY 4 HG2 ALY 68 -1.916 7.156 -6.781 490 HB3 ALY 4 HB3 ALY 68 -0.482 5.910 -5.130 491 HB2 ALY 4 HB2 ALY 68 -1.333 6.731 -3.817 492 HCA ALY 4 HA ALY 68 -3.506 5.698 -4.869 493 H ALY 4 H ALY 68 -1.569 4.607 -3.055 494 H GLN 5 H GLN 69 -4.100 5.033 -6.885 495 HA GLN 5 HA GLN 69 -3.532 2.398 -7.696 496 HB2 GLN 5 HB2 GLN 69 -5.636 3.576 -8.106 497 HB3 GLN 5 HB3 GLN 69 -4.829 4.710 -9.183 498 HG2 GLN 5 HG2 GLN 69 -6.099 3.110 -10.475 499 HG3 GLN 5 HG3 GLN 69 -4.387 2.917 -10.810 500 HE21 GLN 5 HE21 GLN 69 -5.188 0.763 -11.687 501 HE22 GLN 5 HE22 GLN 69 -5.364 -0.555 -10.537 502 H THR 6 H THR 70 -2.034 5.398 -8.807 503 HA THR 6 HA THR 70 0.183 3.952 -10.002 504 HB THR 6 HB THR 70 -1.506 4.032 -11.870 505 HG1 THR 6 HG1 THR 70 0.570 3.866 -12.512 506 HG21 THR 6 HG21 THR 70 -2.480 6.287 -11.393 507 HG22 THR 6 HG22 THR 70 -1.916 6.094 -13.058 508 HG23 THR 6 HG23 THR 70 -0.945 7.031 -11.908 509 H ALA 7 H ALA 71 1.849 5.660 -10.867 510 HA ALA 7 HA ALA 71 1.686 8.258 -9.495 511 HB1 ALA 7 HB1 ALA 71 2.604 6.779 -7.760 512 HB2 ALA 7 HB2 ALA 71 3.827 7.934 -8.322 513 HB3 ALA 7 HB3 ALA 71 3.881 6.243 -8.875 514 H ARG 8 H ARG 72 3.065 9.830 -10.280 515 HA ARG 8 HA ARG 72 3.921 9.599 -13.045 516 HB2 ARG 8 HB2 ARG 72 2.924 11.643 -12.055 517 HB3 ARG 8 HB3 ARG 72 4.346 11.840 -11.024 518 HG2 ARG 8 HG2 ARG 72 5.784 12.098 -13.014 519 HG3 ARG 8 HG3 ARG 72 4.400 11.832 -14.084 520 HD2 ARG 8 HD2 ARG 72 4.641 14.116 -12.087 521 HD3 ARG 8 HD3 ARG 72 5.057 14.229 -13.808 522 HE ARG 8 HE ARG 72 2.430 13.269 -13.739 523 HH11 ARG 8 HH11 ARG 72 4.031 16.228 -12.785 524 HH12 ARG 8 HH12 ARG 72 2.597 17.193 -13.015 525 HH21 ARG 8 HH21 ARG 72 0.634 14.549 -14.011 526 HH22 ARG 8 HH22 ARG 72 0.728 16.254 -13.692 Start of MODEL 10 1 H1 GLY 811 H1 GLY 1 -0.372 26.655 -1.279 2 H2 GLY 811 H2 GLY 1 -1.624 26.965 -2.282 3 H3 GLY 811 H3 GLY 1 -0.333 26.125 -2.827 4 HA2 GLY 811 HA2 GLY 1 -2.177 24.620 -2.442 5 HA3 GLY 811 HA3 GLY 1 -0.818 24.260 -1.364 6 HA PRO 812 HA PRO 2 -4.949 25.229 0.771 7 HB2 PRO 812 HB2 PRO 2 -5.033 22.303 1.455 8 HB3 PRO 812 HB3 PRO 2 -6.368 23.397 0.986 9 HG2 PRO 812 HG2 PRO 2 -5.358 21.649 -0.815 10 HG3 PRO 812 HG3 PRO 2 -5.731 23.334 -1.307 11 HD2 PRO 812 HD2 PRO 2 -3.046 22.166 -0.524 12 HD3 PRO 812 HD3 PRO 2 -3.477 23.156 -1.948 13 H LEU 813 H LEU 3 -2.170 23.570 1.898 14 HA LEU 813 HA LEU 3 -0.933 23.553 3.774 15 HB2 LEU 813 HB2 LEU 3 -2.502 26.078 4.314 16 HB3 LEU 813 HB3 LEU 3 -1.177 25.563 5.339 17 HG LEU 813 HG LEU 3 -0.666 25.806 2.365 18 HD11 LEU 813 HD11 LEU 3 -0.067 28.176 2.668 19 HD12 LEU 813 HD12 LEU 3 -0.692 28.128 4.334 20 HD13 LEU 813 HD13 LEU 3 -1.795 27.911 2.956 21 HD21 LEU 813 HD21 LEU 3 1.051 26.420 4.810 22 HD22 LEU 813 HD22 LEU 3 1.573 26.390 3.112 23 HD23 LEU 813 HD23 LEU 3 1.078 24.894 3.916 24 H GLY 814 H GLY 4 -4.289 24.025 4.853 25 HA2 GLY 814 HA2 GLY 4 -3.704 22.396 7.315 26 HA3 GLY 814 HA3 GLY 4 -4.783 23.788 7.252 27 H SER 815 H SER 5 -5.357 22.000 4.487 28 HA SER 815 HA SER 5 -7.465 20.297 5.657 29 HB2 SER 815 HB2 SER 5 -9.073 21.286 4.061 30 HB3 SER 815 HB3 SER 5 -8.421 22.490 5.195 31 HG SER 815 HG SER 5 -8.418 23.256 3.013 32 H VAL 816 H VAL 6 -4.822 19.916 4.038 33 HA VAL 816 HA VAL 6 -5.403 19.141 1.383 34 HB VAL 816 HB VAL 6 -3.139 18.421 3.297 35 HG11 VAL 816 HG11 VAL 6 -3.163 18.448 0.296 36 HG12 VAL 816 HG12 VAL 6 -3.057 17.025 1.376 37 HG13 VAL 816 HG13 VAL 6 -1.736 18.213 1.347 38 HG21 VAL 816 HG21 VAL 6 -1.961 20.330 2.537 39 HG22 VAL 816 HG22 VAL 6 -3.524 20.955 2.973 40 HG23 VAL 816 HG23 VAL 6 -3.166 20.677 1.257 41 H GLN 817 H GLN 7 -6.178 17.334 0.528 42 HA GLN 817 HA GLN 7 -6.665 14.996 2.318 43 HB2 GLN 817 HB2 GLN 7 -8.329 14.392 0.608 44 HB3 GLN 817 HB3 GLN 7 -8.672 15.887 1.481 45 HG2 GLN 817 HG2 GLN 7 -8.870 17.079 -0.371 46 HG3 GLN 817 HG3 GLN 7 -7.271 16.623 -0.909 47 HE21 GLN 817 HE21 GLN 7 -7.055 14.463 -1.980 48 HE22 GLN 817 HE22 GLN 7 -8.377 13.979 -3.064 49 H HIS 818 H HIS 8 -5.308 13.315 2.144 50 HA HIS 818 HA HIS 8 -4.055 12.790 -0.523 51 HB2 HIS 818 HB2 HIS 8 -2.968 12.769 2.230 52 HB3 HIS 818 HB3 HIS 8 -2.472 11.449 1.178 53 HD2 HIS 818 HD2 HIS 8 -1.846 15.085 1.719 54 HE1 HIS 818 HE1 HIS 8 -0.649 14.457 -2.309 55 HE2 HIS 818 HE2 HIS 8 -0.719 16.138 -0.442 56 H VAL 819 H VAL 9 -6.114 11.948 -1.063 57 HA VAL 819 HA VAL 9 -6.998 9.343 -0.307 58 HB VAL 819 HB VAL 9 -7.276 10.875 -2.877 59 HG11 VAL 819 HG11 VAL 9 -8.741 8.363 -1.954 60 HG12 VAL 819 HG12 VAL 9 -7.631 8.473 -3.349 61 HG13 VAL 819 HG13 VAL 9 -9.164 9.357 -3.361 62 HG21 VAL 819 HG21 VAL 9 -8.362 11.935 -0.903 63 HG22 VAL 819 HG22 VAL 9 -9.124 10.384 -0.484 64 HG23 VAL 819 HG23 VAL 9 -9.589 11.246 -1.971 65 H GLY 820 H GLY 10 -6.125 7.410 -0.545 66 HA2 GLY 820 HA2 GLY 10 -4.748 5.748 -1.477 67 HA3 GLY 820 HA3 GLY 10 -3.914 6.950 -2.455 68 H PHE 821 H PHE 11 -4.044 8.153 0.749 69 HA PHE 821 HA PHE 11 -1.681 6.571 1.660 70 HB2 PHE 821 HB2 PHE 11 -1.873 9.558 1.977 71 HB3 PHE 821 HB3 PHE 11 -0.544 8.509 2.392 72 HD1 PHE 821 HD1 PHE 11 -2.448 9.879 -0.522 73 HD2 PHE 821 HD2 PHE 11 1.281 8.316 0.948 74 HE1 PHE 821 HE1 PHE 11 -1.299 10.744 -2.531 75 HE2 PHE 821 HE2 PHE 11 2.406 9.063 -1.141 76 HZ PHE 821 HZ PHE 11 1.117 10.396 -2.818 77 H LYS 822 H LYS 12 -2.947 5.404 3.034 78 HA LYS 822 HA LYS 12 -4.457 6.719 5.281 79 HB2 LYS 822 HB2 LYS 12 -5.612 4.916 4.668 80 HB3 LYS 822 HB3 LYS 12 -4.282 4.016 4.101 81 HG2 LYS 822 HG2 LYS 12 -4.455 4.395 7.132 82 HG3 LYS 822 HG3 LYS 12 -5.716 3.510 6.377 83 HD2 LYS 822 HD2 LYS 12 -4.015 1.984 5.291 84 HD3 LYS 822 HD3 LYS 12 -2.748 2.931 6.095 85 HE2 LYS 822 HE2 LYS 12 -3.105 0.906 7.318 86 HE3 LYS 822 HE3 LYS 12 -3.590 2.294 8.294 87 HZ1 LYS 822 HZ1 LYS 12 -5.188 0.398 8.391 88 HZ2 LYS 822 HZ2 LYS 12 -5.502 0.542 6.796 89 HZ3 LYS 822 HZ3 LYS 12 -5.922 1.743 7.840 90 H CYS 823 H CYS 13 -3.589 6.768 7.363 91 HA CYS 823 HA CYS 13 -0.745 6.954 7.627 92 HB2 CYS 823 HB2 CYS 13 -1.944 8.506 8.805 93 HB3 CYS 823 HB3 CYS 13 -3.224 7.391 9.215 94 H ASP 824 H ASP 14 0.541 5.934 9.158 95 HA ASP 824 HA ASP 14 0.134 2.995 9.541 96 HB2 ASP 824 HB2 ASP 14 2.602 4.772 9.552 97 HB3 ASP 824 HB3 ASP 14 2.608 3.103 10.086 98 H ASN 825 H ASN 15 0.804 6.010 11.383 99 HA ASN 825 HA ASN 15 1.486 4.723 13.862 100 HB2 ASN 825 HB2 ASN 15 1.911 7.118 13.154 101 HB3 ASN 825 HB3 ASN 15 0.223 7.452 13.524 102 HD21 ASN 825 HD21 ASN 15 -0.438 7.212 15.823 103 HD22 ASN 825 HD22 ASN 15 0.814 7.276 17.061 104 H CYS 826 H CYS 16 -1.574 6.250 12.783 105 HA CYS 826 HA CYS 16 -3.005 4.852 14.948 106 HB2 CYS 826 HB2 CYS 16 -4.246 6.719 15.389 107 HB3 CYS 826 HB3 CYS 16 -2.611 7.306 15.238 108 H GLY 827 H GLY 17 -2.726 4.875 11.558 109 HA2 GLY 827 HA2 GLY 17 -3.513 3.249 10.202 110 HA3 GLY 827 HA3 GLY 17 -4.614 2.692 11.443 111 H ILE 828 H ILE 18 -4.933 6.024 11.034 112 HA ILE 828 HA ILE 18 -7.562 5.816 10.130 113 HB ILE 828 HB ILE 18 -6.887 7.600 11.540 114 HG12 ILE 828 HG12 ILE 18 -7.548 8.843 8.822 115 HG13 ILE 828 HG13 ILE 18 -8.727 8.022 9.812 116 HG21 ILE 828 HG21 ILE 18 -4.524 7.855 10.779 117 HG22 ILE 828 HG22 ILE 18 -5.385 9.373 10.913 118 HG23 ILE 828 HG23 ILE 18 -5.105 8.665 9.309 119 HD11 ILE 828 HD11 ILE 18 -7.262 10.580 10.548 120 HD12 ILE 828 HD12 ILE 18 -8.313 9.669 11.662 121 HD13 ILE 828 HD13 ILE 18 -8.979 10.372 10.177 122 H GLU 829 H GLU 19 -8.507 6.233 8.236 123 HA GLU 829 HA GLU 19 -7.289 5.439 5.805 124 HB2 GLU 829 HB2 GLU 19 -9.694 7.071 5.644 125 HB3 GLU 829 HB3 GLU 19 -9.382 5.476 4.957 126 HG2 GLU 829 HG2 GLU 19 -9.784 4.449 7.202 127 HG3 GLU 829 HG3 GLU 19 -10.332 6.025 7.781 128 HA PRO 830 HA PRO 20 -5.602 8.485 3.336 129 HB2 PRO 830 HB2 PRO 20 -8.332 9.607 2.632 130 HB3 PRO 830 HB3 PRO 20 -6.821 9.660 1.678 131 HG2 PRO 830 HG2 PRO 20 -8.557 7.669 1.274 132 HG3 PRO 830 HG3 PRO 20 -6.804 7.303 1.384 133 HD2 PRO 830 HD2 PRO 20 -8.972 6.915 3.406 134 HD3 PRO 830 HD3 PRO 20 -7.469 5.965 3.165 135 H ILE 831 H ILE 21 -4.394 9.784 4.423 136 HA ILE 831 HA ILE 21 -5.080 11.274 6.645 137 HB ILE 831 HB ILE 21 -2.720 11.519 4.753 138 HG12 ILE 831 HG12 ILE 21 -2.781 10.298 7.546 139 HG13 ILE 831 HG13 ILE 21 -3.220 9.350 6.156 140 HG21 ILE 831 HG21 ILE 21 -2.798 13.653 5.938 141 HG22 ILE 831 HG22 ILE 21 -1.521 12.685 6.661 142 HG23 ILE 831 HG23 ILE 21 -3.083 12.828 7.482 143 HD11 ILE 831 HD11 ILE 21 -0.532 10.708 6.503 144 HD12 ILE 831 HD12 ILE 21 -1.056 9.759 5.091 145 HD13 ILE 831 HD13 ILE 21 -0.889 8.986 6.678 146 H GLN 832 H GLN 22 -5.609 13.250 7.189 147 HA GLN 832 HA GLN 22 -6.264 15.193 5.020 148 HB2 GLN 832 HB2 GLN 22 -7.598 14.868 7.726 149 HB3 GLN 832 HB3 GLN 22 -8.049 15.990 6.442 150 HG2 GLN 832 HG2 GLN 22 -8.184 12.951 6.222 151 HG3 GLN 832 HG3 GLN 22 -9.531 14.003 6.593 152 HE21 GLN 832 HE21 GLN 22 -8.434 12.247 4.103 153 HE22 GLN 832 HE22 GLN 22 -9.070 13.250 2.792 154 H GLY 833 H GLY 23 -5.596 17.246 5.176 155 HA2 GLY 833 HA2 GLY 23 -5.209 19.253 6.584 156 HA3 GLY 833 HA3 GLY 23 -4.287 18.253 7.666 157 H VAL 834 H VAL 24 -2.526 17.010 6.635 158 HA VAL 834 HA VAL 24 -0.929 18.162 4.513 159 HB VAL 834 HB VAL 24 -0.584 19.555 6.580 160 HG11 VAL 834 HG11 VAL 24 -0.881 17.771 8.245 161 HG12 VAL 834 HG12 VAL 24 0.570 18.765 8.497 162 HG13 VAL 834 HG13 VAL 24 0.724 17.134 7.802 163 HG21 VAL 834 HG21 VAL 24 1.894 19.503 6.603 164 HG22 VAL 834 HG22 VAL 24 1.253 19.450 4.963 165 HG23 VAL 834 HG23 VAL 24 1.869 17.966 5.730 166 H ARG 835 H ARG 25 0.439 16.448 3.705 167 HA ARG 835 HA ARG 25 0.093 13.792 5.043 168 HB2 ARG 835 HB2 ARG 25 0.462 14.435 2.343 169 HB3 ARG 835 HB3 ARG 25 2.075 13.981 2.853 170 HG2 ARG 835 HG2 ARG 25 0.826 11.884 3.928 171 HG3 ARG 835 HG3 ARG 25 -0.427 12.295 2.762 172 HD2 ARG 835 HD2 ARG 25 2.493 11.628 2.242 173 HD3 ARG 835 HD3 ARG 25 1.096 10.623 1.861 174 HE ARG 835 HE ARG 25 0.463 12.640 0.283 175 HH11 ARG 835 HH11 ARG 25 3.555 11.028 0.618 176 HH12 ARG 835 HH12 ARG 25 4.159 11.649 -0.883 177 HH21 ARG 835 HH21 ARG 25 1.271 13.326 -1.689 178 HH22 ARG 835 HH22 ARG 25 2.878 12.886 -2.180 179 H TRP 836 H TRP 26 2.024 12.528 5.647 180 HA TRP 836 HA TRP 26 4.494 14.142 6.033 181 HB2 TRP 836 HB2 TRP 26 3.307 12.467 8.250 182 HB3 TRP 836 HB3 TRP 26 4.953 12.944 8.132 183 HD1 TRP 836 HD1 TRP 26 1.612 14.581 8.873 184 HE1 TRP 836 HE1 TRP 26 2.106 16.899 9.950 185 HE3 TRP 836 HE3 TRP 26 6.548 14.951 7.750 186 HZ2 TRP 836 HZ2 TRP 26 4.438 18.472 10.558 187 HZ3 TRP 836 HZ3 TRP 26 7.949 16.749 8.701 188 HH2 TRP 836 HH2 TRP 26 6.920 18.504 10.138 189 H HIS 837 H HIS 27 5.512 13.254 4.419 190 HA HIS 837 HA HIS 27 5.341 10.333 3.851 191 HB2 HIS 837 HB2 HIS 27 5.004 12.030 2.060 192 HB3 HIS 837 HB3 HIS 27 6.628 12.644 2.332 193 HD2 HIS 837 HD2 HIS 27 8.651 11.304 1.268 194 HE1 HIS 837 HE1 HIS 27 6.441 8.078 -0.433 195 HE2 HIS 837 HE2 HIS 27 8.732 9.187 -0.300 196 H CYS 838 H CYS 28 6.721 9.086 4.953 197 HA CYS 838 HA CYS 28 9.097 9.852 6.235 198 HB2 CYS 838 HB2 CYS 28 7.849 7.331 5.223 199 HB3 CYS 838 HB3 CYS 28 9.572 7.302 5.643 200 H GLN 839 H GLN 29 11.089 10.399 5.579 201 HA GLN 839 HA GLN 29 11.624 10.582 2.733 202 HB2 GLN 839 HB2 GLN 29 13.281 11.277 5.173 203 HB3 GLN 839 HB3 GLN 29 13.814 11.601 3.538 204 HG2 GLN 839 HG2 GLN 29 11.115 12.696 4.410 205 HG3 GLN 839 HG3 GLN 29 12.586 13.488 4.920 206 HE21 GLN 839 HE21 GLN 29 12.721 15.350 3.626 207 HE22 GLN 839 HE22 GLN 29 12.573 15.303 1.879 208 H ASP 840 H ASP 30 12.822 8.506 5.357 209 HA ASP 840 HA ASP 30 14.936 7.374 3.577 210 HB2 ASP 840 HB2 ASP 30 15.523 8.349 5.758 211 HB3 ASP 840 HB3 ASP 30 14.473 7.193 6.559 212 H CYS 841 H CYS 31 11.995 6.389 5.296 213 HA CYS 841 HA CYS 31 12.380 3.587 5.079 214 HB2 CYS 841 HB2 CYS 31 9.784 5.167 5.285 215 HB3 CYS 841 HB3 CYS 31 9.978 3.435 5.491 216 HA PRO 842 HA PRO 32 12.191 2.985 0.801 217 HB2 PRO 842 HB2 PRO 32 11.578 0.360 0.455 218 HB3 PRO 842 HB3 PRO 32 13.033 0.884 1.358 219 HG2 PRO 842 HG2 PRO 32 10.336 0.055 2.479 220 HG3 PRO 842 HG3 PRO 32 11.964 -0.495 2.984 221 HD2 PRO 842 HD2 PRO 32 10.557 1.554 4.205 222 HD3 PRO 842 HD3 PRO 32 12.332 1.430 4.215 223 HA PRO 843 HA PRO 33 8.213 3.747 -0.998 224 HB2 PRO 843 HB2 PRO 33 8.447 2.738 -3.561 225 HB3 PRO 843 HB3 PRO 33 9.266 4.205 -2.960 226 HG2 PRO 843 HG2 PRO 33 10.423 1.415 -3.138 227 HG3 PRO 843 HG3 PRO 33 11.123 2.950 -3.753 228 HD2 PRO 843 HD2 PRO 33 11.875 1.968 -1.366 229 HD3 PRO 843 HD3 PRO 33 11.592 3.725 -1.557 230 H GLU 844 H GLU 34 9.370 0.432 -1.205 231 HA GLU 844 HA GLU 34 6.968 -0.969 -1.710 232 HB2 GLU 844 HB2 GLU 34 9.193 -1.987 -1.681 233 HB3 GLU 844 HB3 GLU 34 9.326 -1.732 0.067 234 HG2 GLU 844 HG2 GLU 34 7.566 -3.339 0.505 235 HG3 GLU 844 HG3 GLU 34 7.112 -3.388 -1.202 236 H MET 845 H MET 35 8.134 0.417 1.326 237 HA MET 845 HA MET 35 5.709 -0.455 2.826 238 HB2 MET 845 HB2 MET 35 8.266 0.971 3.637 239 HB3 MET 845 HB3 MET 35 6.896 0.789 4.721 240 HG2 MET 845 HG2 MET 35 8.240 -1.569 3.378 241 HG3 MET 845 HG3 MET 35 8.707 -0.942 4.949 242 HE1 MET 845 HE1 MET 35 5.777 -1.854 7.321 243 HE2 MET 845 HE2 MET 35 6.041 -0.272 6.561 244 HE3 MET 845 HE3 MET 35 7.424 -1.206 7.182 245 H SER 846 H SER 36 7.300 2.550 1.758 246 HA SER 846 HA SER 36 6.754 4.742 1.917 247 HB2 SER 846 HB2 SER 36 5.867 3.992 -0.241 248 HB3 SER 846 HB3 SER 36 4.274 3.773 0.499 249 HG SER 846 HG SER 36 4.602 5.870 -0.544 250 H LEU 847 H LEU 37 6.695 4.940 4.107 251 HA LEU 847 HA LEU 37 4.237 4.483 5.605 252 HB2 LEU 847 HB2 LEU 37 7.082 5.190 6.324 253 HB3 LEU 847 HB3 LEU 37 5.816 5.442 7.473 254 HG LEU 847 HG LEU 37 5.567 2.754 6.216 255 HD11 LEU 847 HD11 LEU 37 7.644 1.763 7.044 256 HD12 LEU 847 HD12 LEU 37 8.260 3.426 7.309 257 HD13 LEU 847 HD13 LEU 37 7.821 2.867 5.674 258 HD21 LEU 847 HD21 LEU 37 5.094 3.730 8.777 259 HD22 LEU 847 HD22 LEU 37 6.414 2.503 8.910 260 HD23 LEU 847 HD23 LEU 37 4.907 2.091 8.144 261 H ASP 848 H ASP 38 3.056 6.008 6.804 262 HA ASP 848 HA ASP 38 3.511 8.841 6.183 263 HB2 ASP 848 HB2 ASP 38 0.864 7.547 5.551 264 HB3 ASP 848 HB3 ASP 38 1.273 9.261 5.468 265 H PHE 849 H PHE 39 2.569 10.314 7.515 266 HA PHE 849 HA PHE 39 0.947 9.351 9.812 267 HB2 PHE 849 HB2 PHE 39 3.315 11.255 10.195 268 HB3 PHE 849 HB3 PHE 39 2.209 10.642 11.367 269 HD1 PHE 849 HD1 PHE 39 2.963 8.977 12.735 270 HD2 PHE 849 HD2 PHE 39 4.745 9.331 8.810 271 HE1 PHE 849 HE1 PHE 39 4.402 7.019 13.201 272 HE2 PHE 849 HE2 PHE 39 6.175 7.466 9.291 273 HZ PHE 849 HZ PHE 39 5.995 6.172 11.474 274 H CYS 850 H CYS 40 -0.511 10.789 10.679 275 HA CYS 850 HA CYS 40 -1.498 12.941 9.094 276 HB2 CYS 850 HB2 CYS 40 -2.114 12.144 11.967 277 HB3 CYS 850 HB3 CYS 40 -3.176 13.046 10.871 278 H ASP 851 H ASP 41 -2.169 15.037 10.211 279 HA ASP 851 HA ASP 41 0.029 16.668 10.951 280 HB2 ASP 851 HB2 ASP 41 -1.561 18.351 11.361 281 HB3 ASP 851 HB3 ASP 41 -2.148 17.443 9.986 282 H SER 852 H SER 42 -2.147 14.730 12.963 283 HA SER 852 HA SER 42 -1.169 15.861 15.462 284 HB2 SER 852 HB2 SER 42 -3.537 15.289 15.179 285 HB3 SER 852 HB3 SER 42 -3.108 13.593 14.908 286 HG SER 852 HG SER 42 -3.730 14.039 17.104 287 H CYS 853 H CYS 43 -0.956 12.659 13.797 288 HA CYS 853 HA CYS 43 0.524 11.565 16.006 289 HB2 CYS 853 HB2 CYS 43 0.005 9.502 15.099 290 HB3 CYS 853 HB3 CYS 43 -1.381 10.541 14.768 291 H SER 854 H SER 44 1.403 12.896 12.909 292 HA SER 854 HA SER 44 4.045 11.766 12.712 293 HB2 SER 854 HB2 SER 44 2.900 13.187 10.940 294 HB3 SER 854 HB3 SER 44 3.312 14.594 11.922 295 HG SER 854 HG SER 44 4.946 14.247 10.435 296 H ASP 855 H ASP 45 2.729 13.695 15.176 297 HA ASP 855 HA ASP 45 5.141 15.055 16.042 298 HB2 ASP 855 HB2 ASP 45 2.764 15.677 16.701 299 HB3 ASP 855 HB3 ASP 45 2.730 14.205 17.687 300 H CYS 856 H CYS 46 4.283 11.785 15.832 301 HA CYS 856 HA CYS 46 5.814 10.928 18.197 302 HB2 CYS 856 HB2 CYS 46 3.666 9.818 17.797 303 HB3 CYS 856 HB3 CYS 46 4.251 9.278 16.204 304 HG CYS 856 HG CYS 46 4.339 7.221 17.736 305 H LEU 857 H LEU 47 7.741 10.097 18.074 306 HA LEU 857 HA LEU 47 9.157 9.892 15.463 307 HB2 LEU 857 HB2 LEU 47 10.167 11.293 17.168 308 HB3 LEU 857 HB3 LEU 47 10.203 9.964 18.323 309 HG LEU 857 HG LEU 47 11.861 8.769 17.023 310 HD11 LEU 857 HD11 LEU 47 11.210 9.121 14.745 311 HD12 LEU 857 HD12 LEU 47 12.805 9.876 14.906 312 HD13 LEU 857 HD13 LEU 47 11.362 10.894 14.899 313 HD21 LEU 857 HD21 LEU 47 12.664 10.609 18.467 314 HD22 LEU 857 HD22 LEU 47 12.543 11.742 17.102 315 HD23 LEU 857 HD23 LEU 47 13.712 10.411 17.058 316 H HIS 858 H HIS 48 8.187 8.056 14.708 317 HA HIS 858 HA HIS 48 8.038 5.673 16.426 318 HB2 HIS 858 HB2 HIS 48 5.991 6.657 15.386 319 HB3 HIS 858 HB3 HIS 48 6.667 6.274 13.799 320 HD2 HIS 858 HD2 HIS 48 5.657 4.118 12.842 321 HE1 HIS 858 HE1 HIS 48 4.973 1.920 16.431 322 HE2 HIS 858 HE2 HIS 48 4.722 1.885 13.901 323 H GLU 859 H GLU 49 8.340 3.578 15.724 324 HA GLU 859 HA GLU 49 10.160 3.128 13.485 325 HB2 GLU 859 HB2 GLU 49 10.912 1.956 16.172 326 HB3 GLU 859 HB3 GLU 49 11.857 2.086 14.739 327 HG2 GLU 859 HG2 GLU 49 11.880 4.602 15.038 328 HG3 GLU 859 HG3 GLU 49 11.057 4.367 16.567 329 H THR 860 H THR 50 10.126 1.079 12.646 330 HA THR 860 HA THR 50 8.502 -1.039 13.978 331 HB THR 860 HB THR 50 7.429 -1.735 12.034 332 HG1 THR 860 HG1 THR 50 7.856 -0.917 10.006 333 HG21 THR 860 HG21 THR 50 6.181 0.241 11.154 334 HG22 THR 860 HG22 THR 50 7.247 1.325 12.073 335 HG23 THR 860 HG23 THR 50 6.230 0.163 12.923 336 H ASP 861 H ASP 51 9.225 -2.794 11.590 337 HA ASP 861 HA ASP 51 11.914 -3.584 12.382 338 HB2 ASP 861 HB2 ASP 51 10.041 -4.621 10.306 339 HB3 ASP 861 HB3 ASP 51 11.599 -5.334 10.674 340 H ILE 862 H ILE 52 10.338 -1.827 9.825 341 HA ILE 862 HA ILE 52 12.842 -1.399 8.338 342 HB ILE 862 HB ILE 52 9.900 -0.924 7.724 343 HG12 ILE 862 HG12 ILE 52 10.859 -3.160 7.201 344 HG13 ILE 862 HG13 ILE 52 10.196 -2.331 5.827 345 HG21 ILE 862 HG21 ILE 52 10.873 1.088 6.972 346 HG22 ILE 862 HG22 ILE 52 10.682 0.022 5.568 347 HG23 ILE 862 HG23 ILE 52 12.296 0.251 6.328 348 HD11 ILE 862 HD11 ILE 52 12.474 -1.767 5.046 349 HD12 ILE 862 HD12 ILE 52 12.275 -3.513 5.281 350 HD13 ILE 862 HD13 ILE 52 13.162 -2.567 6.485 351 H HIS 863 H HIS 53 10.118 0.252 9.938 352 HA HIS 863 HA HIS 53 11.135 2.865 9.330 353 HB2 HIS 863 HB2 HIS 53 8.977 2.774 9.213 354 HB3 HIS 863 HB3 HIS 53 8.617 1.652 10.354 355 HD1 HIS 863 HD1 HIS 53 6.618 3.440 10.672 356 HD2 HIS 863 HD2 HIS 53 10.426 4.912 11.327 357 HE1 HIS 863 HE1 HIS 53 6.908 5.405 9.127 358 H LYS 864 H LYS 54 12.399 4.212 10.531 359 HA LYS 864 HA LYS 54 12.970 3.507 13.357 360 HB2 LYS 864 HB2 LYS 54 15.159 3.902 11.287 361 HB3 LYS 864 HB3 LYS 54 15.347 3.655 12.998 362 HG2 LYS 864 HG2 LYS 54 14.092 1.580 11.113 363 HG3 LYS 864 HG3 LYS 54 15.749 1.570 11.602 364 HD2 LYS 864 HD2 LYS 54 15.202 1.052 13.897 365 HD3 LYS 864 HD3 LYS 54 13.537 1.347 13.636 366 HE2 LYS 864 HE2 LYS 54 13.738 -0.983 13.594 367 HE3 LYS 864 HE3 LYS 54 13.447 -0.498 11.930 368 HZ1 LYS 864 HZ1 LYS 54 15.228 -2.151 12.074 369 HZ2 LYS 864 HZ2 LYS 54 16.113 -1.219 13.080 370 HZ3 LYS 864 HZ3 LYS 54 15.873 -0.760 11.523 371 H GLU 865 H GLU 55 14.045 5.127 14.586 372 HA GLU 865 HA GLU 55 13.267 7.804 13.913 373 HB2 GLU 865 HB2 GLU 55 14.083 8.350 16.106 374 HB3 GLU 865 HB3 GLU 55 13.262 6.798 16.203 375 HG2 GLU 865 HG2 GLU 55 15.618 5.746 16.050 376 HG3 GLU 865 HG3 GLU 55 16.267 7.366 16.192 377 H ASP 866 H ASP 56 15.719 6.201 12.589 378 HA ASP 866 HA ASP 56 18.012 7.830 12.960 379 HB2 ASP 866 HB2 ASP 56 17.804 5.405 12.208 380 HB3 ASP 866 HB3 ASP 56 17.416 6.071 10.629 381 H HIS 867 H HIS 57 15.149 8.338 11.184 382 HA HIS 867 HA HIS 57 16.404 9.907 9.017 383 HB2 HIS 867 HB2 HIS 57 14.517 9.268 7.800 384 HB3 HIS 867 HB3 HIS 57 15.226 7.879 8.566 385 HD1 HIS 867 HD1 HIS 57 12.482 10.130 10.312 386 HD2 HIS 867 HD2 HIS 57 13.254 6.446 8.488 387 HE1 HIS 867 HE1 HIS 57 10.217 9.008 10.043 388 H GLN 868 H GLN 58 14.004 10.955 8.155 389 HA GLN 868 HA GLN 58 12.801 12.791 10.046 390 HB2 GLN 868 HB2 GLN 58 13.263 14.816 8.679 391 HB3 GLN 868 HB3 GLN 58 14.681 14.169 9.485 392 HG2 GLN 868 HG2 GLN 58 14.072 13.540 6.564 393 HG3 GLN 868 HG3 GLN 58 14.916 14.999 7.058 394 HE21 GLN 868 HE21 GLN 58 16.983 14.606 8.450 395 HE22 GLN 868 HE22 GLN 58 17.903 13.179 7.994 396 H LEU 869 H LEU 59 10.902 13.894 9.109 397 HA LEU 869 HA LEU 59 9.596 12.322 6.918 398 HB2 LEU 869 HB2 LEU 59 8.343 14.039 9.092 399 HB3 LEU 869 HB3 LEU 59 7.522 13.021 7.915 400 HG LEU 869 HG LEU 59 7.326 12.104 10.044 401 HD11 LEU 869 HD11 LEU 59 7.525 10.554 8.160 402 HD12 LEU 869 HD12 LEU 59 8.062 9.834 9.671 403 HD13 LEU 869 HD13 LEU 59 9.273 10.396 8.492 404 HD21 LEU 869 HD21 LEU 59 10.297 11.665 10.374 405 HD22 LEU 869 HD22 LEU 59 8.990 11.308 11.510 406 HD23 LEU 869 HD23 LEU 59 9.384 12.993 11.142 407 H GLU 870 H GLU 60 8.503 13.351 5.287 408 HA GLU 870 HA GLU 60 9.126 16.241 4.891 409 HB2 GLU 870 HB2 GLU 60 9.805 14.545 3.189 410 HB3 GLU 870 HB3 GLU 60 8.120 14.151 2.962 411 HG2 GLU 870 HG2 GLU 60 8.533 15.529 1.225 412 HG3 GLU 870 HG3 GLU 60 7.796 16.654 2.361 413 HA PRO 871 HA PRO 61 4.668 16.829 5.708 414 HB2 PRO 871 HB2 PRO 61 4.622 19.533 5.914 415 HB3 PRO 871 HB3 PRO 61 5.193 18.481 7.236 416 HG2 PRO 871 HG2 PRO 61 6.848 20.004 5.216 417 HG3 PRO 871 HG3 PRO 61 7.131 19.818 6.973 418 HD2 PRO 871 HD2 PRO 61 8.373 18.304 4.995 419 HD3 PRO 871 HD3 PRO 61 8.120 17.723 6.660 420 H ILE 872 H ILE 62 3.022 17.159 4.158 421 HA ILE 872 HA ILE 62 3.817 18.482 1.595 422 HB ILE 872 HB ILE 62 1.948 16.156 1.731 423 HG12 ILE 872 HG12 ILE 62 4.145 15.296 2.567 424 HG13 ILE 872 HG13 ILE 62 3.623 14.564 1.074 425 HG21 ILE 872 HG21 ILE 62 3.537 17.405 -0.559 426 HG22 ILE 872 HG22 ILE 62 1.827 17.642 -0.235 427 HG23 ILE 872 HG23 ILE 62 2.410 16.038 -0.697 428 HD11 ILE 872 HD11 ILE 62 6.047 15.109 1.140 429 HD12 ILE 872 HD12 ILE 62 5.627 16.839 1.173 430 HD13 ILE 872 HD13 ILE 62 5.193 15.845 -0.231 431 H TYR 873 H TYR 63 2.721 20.192 1.373 432 HA TYR 873 HA TYR 63 0.320 20.726 2.958 433 HB2 TYR 873 HB2 TYR 63 2.288 22.521 1.502 434 HB3 TYR 873 HB3 TYR 63 0.907 23.112 2.400 435 HD1 TYR 873 HD1 TYR 63 0.696 22.277 4.912 436 HD2 TYR 873 HD2 TYR 63 4.367 22.305 2.638 437 HE1 TYR 873 HE1 TYR 63 1.989 22.284 7.018 438 HE2 TYR 873 HE2 TYR 63 5.667 22.303 4.765 439 HH TYR 873 HH TYR 63 4.097 22.386 7.985 440 H ARG 874 H ARG 64 0.473 19.295 0.281 441 HA ARG 874 HA ARG 64 -1.817 20.496 -1.087 442 HB2 ARG 874 HB2 ARG 64 -0.576 20.723 -3.217 443 HB3 ARG 874 HB3 ARG 64 0.023 21.814 -1.965 444 HG2 ARG 874 HG2 ARG 64 1.918 20.234 -1.515 445 HG3 ARG 874 HG3 ARG 64 1.338 19.180 -2.805 446 HD2 ARG 874 HD2 ARG 64 2.094 22.088 -3.141 447 HD3 ARG 874 HD3 ARG 64 3.205 20.719 -3.406 448 HE ARG 874 HE ARG 64 0.948 20.205 -4.995 449 HH11 ARG 874 HH11 ARG 64 3.489 22.622 -4.959 450 HH12 ARG 874 HH12 ARG 64 3.364 22.908 -6.673 451 HH21 ARG 874 HH21 ARG 64 0.836 20.635 -7.173 452 HH22 ARG 874 HH22 ARG 64 1.909 21.801 -7.887 453 H1 ALA 1 H1 ALA 65 1.624 4.643 5.578 454 H2 ALA 1 H2 ALA 65 0.225 5.249 4.948 455 H3 ALA 1 H3 ALA 65 1.662 5.552 4.203 456 HA ALA 1 HA ALA 65 1.961 3.271 3.704 457 HB1 ALA 1 HB1 ALA 65 -0.807 2.888 4.890 458 HB2 ALA 1 HB2 ALA 65 0.718 2.307 5.588 459 HB3 ALA 1 HB3 ALA 65 0.156 1.659 4.043 460 H ARG 2 H ARG 66 1.975 3.494 1.639 461 HA ARG 2 HA ARG 66 0.100 4.742 -0.051 462 HB2 ARG 2 HB2 ARG 66 1.249 3.762 -1.872 463 HB3 ARG 2 HB3 ARG 66 2.431 4.140 -0.649 464 HG2 ARG 2 HG2 ARG 66 1.416 1.410 -1.520 465 HG3 ARG 2 HG3 ARG 66 3.045 2.052 -1.642 466 HD2 ARG 2 HD2 ARG 66 3.325 1.942 0.788 467 HD3 ARG 2 HD3 ARG 66 1.692 1.334 1.012 468 HE ARG 2 HE ARG 66 4.028 -0.171 0.244 469 HH11 ARG 2 HH11 ARG 66 3.925 -2.275 0.032 470 HH12 ARG 2 HH12 ARG 66 2.406 -3.124 -0.180 471 HH21 ARG 2 HH21 ARG 66 0.498 -0.221 -0.007 472 HH22 ARG 2 HH22 ARG 66 0.485 -1.958 -0.186 473 H THR 3 H THR 67 -1.863 4.341 -0.526 474 HA THR 3 HA THR 67 -2.843 1.608 -1.211 475 HB THR 3 HB THR 67 -5.054 2.223 -0.289 476 HG1 THR 3 HG1 THR 67 -5.268 4.049 0.961 477 HG21 THR 3 HG21 THR 67 -2.926 2.532 1.871 478 HG22 THR 3 HG22 THR 67 -3.418 0.975 1.166 479 HG23 THR 3 HG23 THR 67 -4.592 1.953 2.063 480 HH31 ALY 4 H26 ALY 68 -3.705 13.341 -3.447 481 HH32 ALY 4 H27 ALY 68 -3.561 11.800 -2.576 482 HH33 ALY 4 H28 ALY 68 -4.895 12.045 -3.735 483 HZ ALY 4 HZ1 ALY 68 -3.601 9.855 -4.137 484 HE3 ALY 4 HE3 ALY 68 -2.780 9.364 -6.601 485 HE2 ALY 4 HE2 ALY 68 -1.361 10.277 -6.072 486 HD3 ALY 4 HD3 ALY 68 -0.719 8.075 -5.683 487 HD2 ALY 4 HD2 ALY 68 -1.237 8.626 -4.084 488 HG3 ALY 4 HG3 ALY 68 -3.518 7.559 -4.601 489 HG2 ALY 4 HG2 ALY 68 -2.781 6.889 -6.062 490 HB3 ALY 4 HB3 ALY 68 -1.047 5.756 -4.590 491 HB2 ALY 4 HB2 ALY 68 -1.875 6.416 -3.186 492 HCA ALY 4 HA ALY 68 -4.001 5.223 -4.088 493 H ALY 4 H ALY 68 -1.718 4.034 -2.706 494 H GLN 5 H GLN 69 -4.714 3.157 -4.997 495 HA GLN 5 HA GLN 69 -3.269 1.639 -6.892 496 HB2 GLN 5 HB2 GLN 69 -5.260 0.872 -5.705 497 HB3 GLN 5 HB3 GLN 69 -6.270 2.042 -6.567 498 HG2 GLN 5 HG2 GLN 69 -5.842 0.897 -8.696 499 HG3 GLN 5 HG3 GLN 69 -4.686 -0.195 -7.921 500 HE21 GLN 5 HE21 GLN 69 -6.428 -1.609 -9.227 501 HE22 GLN 5 HE22 GLN 69 -7.723 -2.219 -8.201 502 H THR 6 H THR 70 -2.904 1.756 -9.046 503 HA THR 6 HA THR 70 -3.334 4.252 -10.470 504 HB THR 6 HB THR 70 -2.170 3.048 -12.341 505 HG1 THR 6 HG1 THR 70 -2.727 0.904 -11.879 506 HG21 THR 6 HG21 THR 70 0.013 2.934 -11.257 507 HG22 THR 6 HG22 THR 70 -0.746 2.880 -9.648 508 HG23 THR 6 HG23 THR 70 -0.891 4.337 -10.657 509 H ALA 7 H ALA 71 -4.299 4.499 -12.552 510 HA ALA 7 HA ALA 71 -6.303 2.520 -13.440 511 HB1 ALA 7 HB1 ALA 71 -8.101 4.212 -13.434 512 HB2 ALA 7 HB2 ALA 71 -7.010 5.387 -12.662 513 HB3 ALA 7 HB3 ALA 71 -7.508 3.918 -11.793 514 H ARG 8 H ARG 72 -7.192 2.999 -15.550 515 HA ARG 8 HA ARG 72 -5.835 4.959 -17.290 516 HB2 ARG 8 HB2 ARG 72 -4.367 2.957 -17.265 517 HB3 ARG 8 HB3 ARG 72 -5.714 1.964 -17.829 518 HG2 ARG 8 HG2 ARG 72 -5.829 3.302 -19.922 519 HG3 ARG 8 HG3 ARG 72 -4.511 4.338 -19.329 520 HD2 ARG 8 HD2 ARG 72 -3.002 2.379 -19.261 521 HD3 ARG 8 HD3 ARG 72 -4.322 1.344 -19.852 522 HE ARG 8 HE ARG 72 -3.991 3.505 -21.673 523 HH11 ARG 8 HH11 ARG 72 -2.206 0.648 -20.711 524 HH12 ARG 8 HH12 ARG 72 -1.419 0.503 -22.258 525 HH21 ARG 8 HH21 ARG 72 -2.955 3.265 -23.622 526 HH22 ARG 8 HH22 ARG 72 -1.842 1.953 -23.863 Start of MODEL 11 1 H1 GLY 811 H1 GLY 1 -5.730 26.412 -1.717 2 H2 GLY 811 H2 GLY 1 -6.097 25.065 -2.572 3 H3 GLY 811 H3 GLY 1 -4.537 25.401 -2.216 4 HA2 GLY 811 HA2 GLY 1 -6.636 24.692 -0.245 5 HA3 GLY 811 HA3 GLY 1 -5.350 23.621 -0.802 6 HA PRO 812 HA PRO 2 -3.773 27.121 2.258 7 HB2 PRO 812 HB2 PRO 2 -5.660 26.213 4.429 8 HB3 PRO 812 HB3 PRO 2 -4.968 27.839 4.146 9 HG2 PRO 812 HG2 PRO 2 -7.505 27.306 3.385 10 HG3 PRO 812 HG3 PRO 2 -6.418 28.200 2.270 11 HD2 PRO 812 HD2 PRO 2 -7.121 25.256 2.224 12 HD3 PRO 812 HD3 PRO 2 -7.080 26.435 0.883 13 H LEU 813 H LEU 3 -2.237 26.842 3.894 14 HA LEU 813 HA LEU 3 -0.882 24.369 3.838 15 HB2 LEU 813 HB2 LEU 3 -0.540 26.882 5.520 16 HB3 LEU 813 HB3 LEU 3 0.540 25.506 5.653 17 HG LEU 813 HG LEU 3 1.183 25.726 3.269 18 HD11 LEU 813 HD11 LEU 3 0.772 27.904 2.123 19 HD12 LEU 813 HD12 LEU 3 -0.441 28.306 3.358 20 HD13 LEU 813 HD13 LEU 3 -0.676 26.920 2.247 21 HD21 LEU 813 HD21 LEU 3 1.535 28.209 4.988 22 HD22 LEU 813 HD22 LEU 3 2.590 27.704 3.646 23 HD23 LEU 813 HD23 LEU 3 2.483 26.715 5.112 24 H GLY 814 H GLY 4 -3.277 25.431 6.130 25 HA2 GLY 814 HA2 GLY 4 -2.568 23.380 8.157 26 HA3 GLY 814 HA3 GLY 4 -3.787 24.640 8.297 27 H SER 815 H SER 5 -4.278 23.120 5.317 28 HA SER 815 HA SER 5 -6.174 21.114 6.330 29 HB2 SER 815 HB2 SER 5 -8.012 22.117 5.074 30 HB3 SER 815 HB3 SER 5 -7.437 23.154 6.395 31 HG SER 815 HG SER 5 -7.776 24.338 4.456 32 H VAL 816 H VAL 6 -3.684 21.100 4.666 33 HA VAL 816 HA VAL 6 -4.134 20.757 1.925 34 HB VAL 816 HB VAL 6 -2.075 19.506 3.807 35 HG11 VAL 816 HG11 VAL 6 -1.998 18.461 1.695 36 HG12 VAL 816 HG12 VAL 6 -0.594 19.529 1.890 37 HG13 VAL 816 HG13 VAL 6 -1.958 20.048 0.862 38 HG21 VAL 816 HG21 VAL 6 -1.821 22.107 2.230 39 HG22 VAL 816 HG22 VAL 6 -0.667 21.391 3.390 40 HG23 VAL 816 HG23 VAL 6 -2.171 22.043 3.969 41 H GLN 817 H GLN 7 -5.031 19.229 0.745 42 HA GLN 817 HA GLN 7 -5.749 16.628 1.989 43 HB2 GLN 817 HB2 GLN 7 -7.210 16.423 0.011 44 HB3 GLN 817 HB3 GLN 7 -7.588 17.772 1.076 45 HG2 GLN 817 HG2 GLN 7 -7.559 19.217 -0.593 46 HG3 GLN 817 HG3 GLN 7 -5.891 18.846 -0.951 47 HE21 GLN 817 HE21 GLN 7 -5.480 16.901 -2.320 48 HE22 GLN 817 HE22 GLN 7 -6.612 16.612 -3.655 49 H HIS 818 H HIS 8 -4.526 14.850 1.616 50 HA HIS 818 HA HIS 8 -2.924 14.754 -0.913 51 HB2 HIS 818 HB2 HIS 8 -2.214 14.167 1.891 52 HB3 HIS 818 HB3 HIS 8 -1.698 12.969 0.704 53 HD2 HIS 818 HD2 HIS 8 -0.819 16.419 1.872 54 HE1 HIS 818 HE1 HIS 8 1.029 16.097 -1.947 55 HE2 HIS 818 HE2 HIS 8 0.787 17.558 0.097 56 H VAL 819 H VAL 9 -4.999 14.215 -1.807 57 HA VAL 819 HA VAL 9 -6.146 11.617 -1.759 58 HB VAL 819 HB VAL 9 -5.868 13.640 -3.986 59 HG11 VAL 819 HG11 VAL 9 -6.278 11.422 -4.985 60 HG12 VAL 819 HG12 VAL 9 -7.739 12.415 -5.044 61 HG13 VAL 819 HG13 VAL 9 -7.599 11.131 -3.820 62 HG21 VAL 819 HG21 VAL 9 -8.259 14.056 -3.392 63 HG22 VAL 819 HG22 VAL 9 -7.216 14.362 -2.003 64 HG23 VAL 819 HG23 VAL 9 -8.144 12.854 -2.091 65 H GLY 820 H GLY 10 -5.275 9.729 -2.043 66 HA2 GLY 820 HA2 GLY 10 -3.978 8.115 -3.252 67 HA3 GLY 820 HA3 GLY 10 -2.848 9.377 -3.724 68 H PHE 821 H PHE 11 -3.197 10.087 -0.510 69 HA PHE 821 HA PHE 11 -1.127 8.079 0.352 70 HB2 PHE 821 HB2 PHE 11 -1.190 10.974 1.161 71 HB3 PHE 821 HB3 PHE 11 0.040 9.769 1.489 72 HD1 PHE 821 HD1 PHE 11 -1.580 11.605 -1.377 73 HD2 PHE 821 HD2 PHE 11 2.016 9.999 0.352 74 HE1 PHE 821 HE1 PHE 11 -0.257 12.716 -3.135 75 HE2 PHE 821 HE2 PHE 11 3.341 10.997 -1.523 76 HZ PHE 821 HZ PHE 11 2.203 12.439 -3.194 77 H LYS 822 H LYS 12 -2.521 6.807 1.439 78 HA LYS 822 HA LYS 12 -4.272 7.813 3.645 79 HB2 LYS 822 HB2 LYS 12 -5.345 6.244 2.470 80 HB3 LYS 822 HB3 LYS 12 -3.986 5.407 1.955 81 HG2 LYS 822 HG2 LYS 12 -4.711 5.180 4.922 82 HG3 LYS 822 HG3 LYS 12 -5.775 4.480 3.740 83 HD2 LYS 822 HD2 LYS 12 -3.884 3.234 2.688 84 HD3 LYS 822 HD3 LYS 12 -2.780 4.031 3.821 85 HE2 LYS 822 HE2 LYS 12 -3.094 1.792 4.447 86 HE3 LYS 822 HE3 LYS 12 -3.703 2.894 5.691 87 HZ1 LYS 822 HZ1 LYS 12 -5.994 2.392 4.925 88 HZ2 LYS 822 HZ2 LYS 12 -5.240 0.986 5.274 89 HZ3 LYS 822 HZ3 LYS 12 -5.431 1.433 3.720 90 H CYS 823 H CYS 13 -3.744 7.521 5.783 91 HA CYS 823 HA CYS 13 -1.010 7.436 6.607 92 HB2 CYS 823 HB2 CYS 13 -2.811 8.724 7.676 93 HB3 CYS 823 HB3 CYS 13 -3.624 7.209 8.062 94 H ASP 824 H ASP 14 0.046 6.033 7.872 95 HA ASP 824 HA ASP 14 -0.592 3.111 7.697 96 HB2 ASP 824 HB2 ASP 14 1.911 4.670 8.429 97 HB3 ASP 824 HB3 ASP 14 1.745 2.942 8.693 98 H ASN 825 H ASN 15 -0.187 5.696 10.073 99 HA ASN 825 HA ASN 15 -0.017 4.000 12.388 100 HB2 ASN 825 HB2 ASN 15 0.716 6.364 12.277 101 HB3 ASN 825 HB3 ASN 15 -0.978 6.879 12.153 102 HD21 ASN 825 HD21 ASN 15 -1.222 7.958 14.090 103 HD22 ASN 825 HD22 ASN 15 -0.981 7.159 15.656 104 H CYS 826 H CYS 16 -2.822 5.906 11.151 105 HA CYS 826 HA CYS 16 -4.613 4.216 12.798 106 HB2 CYS 826 HB2 CYS 16 -5.947 6.058 13.169 107 HB3 CYS 826 HB3 CYS 16 -4.305 6.672 13.354 108 H GLY 827 H GLY 17 -3.838 4.797 9.487 109 HA2 GLY 827 HA2 GLY 17 -4.495 3.442 7.782 110 HA3 GLY 827 HA3 GLY 17 -5.860 2.864 8.708 111 H ILE 828 H ILE 18 -5.852 6.220 8.928 112 HA ILE 828 HA ILE 18 -8.211 6.528 7.476 113 HB ILE 828 HB ILE 18 -7.585 7.993 9.304 114 HG12 ILE 828 HG12 ILE 18 -7.833 9.653 6.771 115 HG13 ILE 828 HG13 ILE 18 -9.166 8.756 7.448 116 HG21 ILE 828 HG21 ILE 18 -5.933 9.752 9.073 117 HG22 ILE 828 HG22 ILE 18 -5.489 9.226 7.436 118 HG23 ILE 828 HG23 ILE 18 -5.137 8.219 8.833 119 HD11 ILE 828 HD11 ILE 18 -9.375 11.028 8.152 120 HD12 ILE 828 HD12 ILE 18 -7.722 11.062 8.787 121 HD13 ILE 828 HD13 ILE 18 -8.958 10.047 9.572 122 H GLU 829 H GLU 19 -8.738 7.261 5.565 123 HA GLU 829 HA GLU 19 -7.113 6.777 3.293 124 HB2 GLU 829 HB2 GLU 19 -9.543 8.488 3.448 125 HB3 GLU 829 HB3 GLU 19 -9.012 7.576 2.068 126 HG2 GLU 829 HG2 GLU 19 -10.588 6.111 2.576 127 HG3 GLU 829 HG3 GLU 19 -9.430 5.484 3.732 128 HA PRO 830 HA PRO 20 -4.858 10.258 1.695 129 HB2 PRO 830 HB2 PRO 20 -7.636 11.369 1.223 130 HB3 PRO 830 HB3 PRO 20 -6.153 11.472 0.235 131 HG2 PRO 830 HG2 PRO 20 -8.177 9.491 0.186 132 HG3 PRO 830 HG3 PRO 20 -6.669 9.459 -0.776 133 HD2 PRO 830 HD2 PRO 20 -7.126 7.607 1.175 134 HD3 PRO 830 HD3 PRO 20 -5.507 8.222 0.790 135 H ILE 831 H ILE 21 -3.820 10.924 3.450 136 HA ILE 831 HA ILE 21 -4.740 12.098 5.753 137 HB ILE 831 HB ILE 21 -2.108 12.452 4.282 138 HG12 ILE 831 HG12 ILE 21 -2.655 10.786 6.778 139 HG13 ILE 831 HG13 ILE 21 -2.969 10.134 5.202 140 HG21 ILE 831 HG21 ILE 21 -2.208 14.358 5.793 141 HG22 ILE 831 HG22 ILE 21 -1.140 13.170 6.521 142 HG23 ILE 831 HG23 ILE 21 -2.796 13.331 7.118 143 HD11 ILE 831 HD11 ILE 21 -0.743 9.494 5.975 144 HD12 ILE 831 HD12 ILE 21 -0.255 11.190 6.050 145 HD13 ILE 831 HD13 ILE 21 -0.671 10.457 4.486 146 H GLN 832 H GLN 22 -5.214 13.993 6.592 147 HA GLN 832 HA GLN 22 -5.536 16.292 4.713 148 HB2 GLN 832 HB2 GLN 22 -7.206 15.587 7.142 149 HB3 GLN 832 HB3 GLN 22 -7.445 16.952 6.047 150 HG2 GLN 832 HG2 GLN 22 -7.636 14.030 5.194 151 HG3 GLN 832 HG3 GLN 22 -8.993 15.022 5.665 152 HE21 GLN 832 HE21 GLN 22 -7.653 13.829 2.947 153 HE22 GLN 832 HE22 GLN 22 -8.203 15.105 1.854 154 H GLY 833 H GLY 23 -4.796 18.229 5.242 155 HA2 GLY 833 HA2 GLY 23 -4.408 19.995 6.914 156 HA3 GLY 833 HA3 GLY 23 -3.750 18.812 7.974 157 H VAL 834 H VAL 24 -1.918 17.521 7.056 158 HA VAL 834 HA VAL 24 0.010 18.807 5.305 159 HB VAL 834 HB VAL 24 0.151 19.898 7.554 160 HG11 VAL 834 HG11 VAL 24 1.015 18.781 9.481 161 HG12 VAL 834 HG12 VAL 24 1.132 17.245 8.595 162 HG13 VAL 834 HG13 VAL 24 -0.464 17.972 8.935 163 HG21 VAL 834 HG21 VAL 24 2.178 19.879 6.203 164 HG22 VAL 834 HG22 VAL 24 2.606 18.253 6.801 165 HG23 VAL 834 HG23 VAL 24 2.609 19.648 7.889 166 H ARG 835 H ARG 25 1.328 17.112 4.407 167 HA ARG 835 HA ARG 25 0.686 14.357 5.396 168 HB2 ARG 835 HB2 ARG 25 0.889 14.958 2.876 169 HB3 ARG 835 HB3 ARG 25 2.637 14.912 3.142 170 HG2 ARG 835 HG2 ARG 25 2.419 12.558 3.979 171 HG3 ARG 835 HG3 ARG 25 0.665 12.676 3.784 172 HD2 ARG 835 HD2 ARG 25 1.387 11.482 1.970 173 HD3 ARG 835 HD3 ARG 25 1.076 13.073 1.298 174 HE ARG 835 HE ARG 25 3.719 11.759 1.848 175 HH11 ARG 835 HH11 ARG 25 1.986 14.190 -0.004 176 HH12 ARG 835 HH12 ARG 25 3.382 14.591 -0.956 177 HH21 ARG 835 HH21 ARG 25 5.459 12.249 0.434 178 HH22 ARG 835 HH22 ARG 25 5.265 13.543 -0.698 179 H TRP 836 H TRP 26 2.399 12.902 5.981 180 HA TRP 836 HA TRP 26 4.942 14.210 6.835 181 HB2 TRP 836 HB2 TRP 26 3.281 12.417 8.613 182 HB3 TRP 836 HB3 TRP 26 4.966 12.683 8.813 183 HD1 TRP 836 HD1 TRP 26 1.748 14.633 9.291 184 HE1 TRP 836 HE1 TRP 26 2.318 16.748 10.713 185 HE3 TRP 836 HE3 TRP 26 6.801 14.612 8.831 186 HZ2 TRP 836 HZ2 TRP 26 4.673 17.960 11.812 187 HZ3 TRP 836 HZ3 TRP 26 8.225 16.116 10.161 188 HH2 TRP 836 HH2 TRP 26 7.178 17.794 11.696 189 H HIS 837 H HIS 27 6.018 13.464 5.184 190 HA HIS 837 HA HIS 27 5.765 10.668 4.174 191 HB2 HIS 837 HB2 HIS 27 5.713 12.587 2.636 192 HB3 HIS 837 HB3 HIS 27 7.213 13.203 3.272 193 HD2 HIS 837 HD2 HIS 27 9.501 11.958 2.610 194 HE1 HIS 837 HE1 HIS 27 7.886 9.871 -0.735 195 HE2 HIS 837 HE2 HIS 27 10.027 10.578 0.422 196 H CYS 838 H CYS 28 6.944 9.142 5.130 197 HA CYS 838 HA CYS 28 9.112 9.590 6.845 198 HB2 CYS 838 HB2 CYS 28 7.955 7.249 5.371 199 HB3 CYS 838 HB3 CYS 28 9.569 7.107 6.082 200 H GLN 839 H GLN 29 11.249 9.908 6.652 201 HA GLN 839 HA GLN 29 12.324 10.474 4.013 202 HB2 GLN 839 HB2 GLN 29 13.626 10.489 6.751 203 HB3 GLN 839 HB3 GLN 29 14.416 11.052 5.298 204 HG2 GLN 839 HG2 GLN 29 11.802 12.291 6.262 205 HG3 GLN 839 HG3 GLN 29 13.374 12.813 6.832 206 HE21 GLN 839 HE21 GLN 29 13.266 14.923 5.968 207 HE22 GLN 839 HE22 GLN 29 13.111 15.222 4.242 208 H ASP 840 H ASP 30 12.863 7.929 6.457 209 HA ASP 840 HA ASP 30 15.094 6.805 4.861 210 HB2 ASP 840 HB2 ASP 30 15.326 7.237 7.263 211 HB3 ASP 840 HB3 ASP 30 14.010 6.112 7.597 212 H CYS 841 H CYS 31 11.777 5.891 5.856 213 HA CYS 841 HA CYS 31 11.958 3.188 5.067 214 HB2 CYS 841 HB2 CYS 31 9.483 4.933 5.142 215 HB3 CYS 841 HB3 CYS 31 9.528 3.189 5.063 216 HA PRO 842 HA PRO 32 12.544 3.733 0.798 217 HB2 PRO 842 HB2 PRO 32 12.237 1.220 -0.223 218 HB3 PRO 842 HB3 PRO 32 13.510 1.632 0.968 219 HG2 PRO 842 HG2 PRO 32 10.782 0.410 1.503 220 HG3 PRO 842 HG3 PRO 32 12.380 -0.167 2.073 221 HD2 PRO 842 HD2 PRO 32 10.752 1.418 3.609 222 HD3 PRO 842 HD3 PRO 32 12.527 1.535 3.691 223 HA PRO 843 HA PRO 33 8.906 4.635 -1.571 224 HB2 PRO 843 HB2 PRO 33 10.303 3.234 -3.870 225 HB3 PRO 843 HB3 PRO 33 9.423 4.793 -3.866 226 HG2 PRO 843 HG2 PRO 33 12.117 4.794 -3.737 227 HG3 PRO 843 HG3 PRO 33 11.196 5.857 -2.617 228 HD2 PRO 843 HD2 PRO 33 12.412 3.139 -2.058 229 HD3 PRO 843 HD3 PRO 33 12.470 4.639 -1.082 230 H GLU 844 H GLU 34 10.081 1.290 -1.930 231 HA GLU 844 HA GLU 34 7.734 0.066 -2.922 232 HB2 GLU 844 HB2 GLU 34 9.971 -0.944 -2.818 233 HB3 GLU 844 HB3 GLU 34 9.871 -1.038 -1.050 234 HG2 GLU 844 HG2 GLU 34 7.991 -2.607 -1.205 235 HG3 GLU 844 HG3 GLU 34 7.957 -2.447 -2.959 236 H MET 845 H MET 35 8.536 1.050 0.356 237 HA MET 845 HA MET 35 6.067 -0.162 1.500 238 HB2 MET 845 HB2 MET 35 8.415 1.249 2.816 239 HB3 MET 845 HB3 MET 35 7.021 0.567 3.661 240 HG2 MET 845 HG2 MET 35 8.951 -1.031 1.945 241 HG3 MET 845 HG3 MET 35 9.024 -0.906 3.691 242 HE1 MET 845 HE1 MET 35 6.032 -3.005 4.967 243 HE2 MET 845 HE2 MET 35 6.105 -1.239 4.820 244 HE3 MET 845 HE3 MET 35 7.533 -2.151 5.383 245 H SER 846 H SER 36 7.623 3.028 1.106 246 HA SER 846 HA SER 36 6.938 5.168 1.404 247 HB2 SER 846 HB2 SER 36 4.718 3.919 -0.234 248 HB3 SER 846 HB3 SER 36 4.785 5.652 0.122 249 HG SER 846 HG SER 36 6.553 4.107 -1.418 250 H LEU 847 H LEU 37 6.772 5.219 3.693 251 HA LEU 847 HA LEU 37 4.106 4.813 4.860 252 HB2 LEU 847 HB2 LEU 37 6.868 4.983 6.043 253 HB3 LEU 847 HB3 LEU 37 5.489 5.289 7.056 254 HG LEU 847 HG LEU 37 4.750 2.948 5.578 255 HD11 LEU 847 HD11 LEU 37 7.646 2.746 6.298 256 HD12 LEU 847 HD12 LEU 37 6.940 2.756 4.665 257 HD13 LEU 847 HD13 LEU 37 6.590 1.410 5.784 258 HD21 LEU 847 HD21 LEU 37 4.720 3.493 8.211 259 HD22 LEU 847 HD22 LEU 37 5.987 2.238 8.091 260 HD23 LEU 847 HD23 LEU 37 4.394 1.925 7.460 261 H ASP 848 H ASP 38 2.915 6.246 6.036 262 HA ASP 848 HA ASP 38 3.611 9.090 5.873 263 HB2 ASP 848 HB2 ASP 38 1.030 8.085 4.678 264 HB3 ASP 848 HB3 ASP 38 1.580 9.750 4.803 265 H PHE 849 H PHE 39 2.503 10.417 7.287 266 HA PHE 849 HA PHE 39 0.479 9.178 9.077 267 HB2 PHE 849 HB2 PHE 39 2.801 10.814 10.204 268 HB3 PHE 849 HB3 PHE 39 1.532 9.974 11.017 269 HD1 PHE 849 HD1 PHE 39 4.401 9.111 8.602 270 HD2 PHE 849 HD2 PHE 39 2.025 8.015 12.041 271 HE1 PHE 849 HE1 PHE 39 5.516 6.991 8.710 272 HE2 PHE 849 HE2 PHE 39 3.204 5.842 12.146 273 HZ PHE 849 HZ PHE 39 4.918 5.262 10.432 274 H CYS 850 H CYS 40 -1.067 10.508 9.972 275 HA CYS 850 HA CYS 40 -1.593 13.073 8.924 276 HB2 CYS 850 HB2 CYS 40 -2.487 11.794 11.544 277 HB3 CYS 850 HB3 CYS 40 -3.325 13.096 10.694 278 H ASP 851 H ASP 41 -1.999 15.010 10.400 279 HA ASP 851 HA ASP 41 0.374 16.144 11.357 280 HB2 ASP 851 HB2 ASP 41 -0.932 17.977 11.981 281 HB3 ASP 851 HB3 ASP 41 -1.738 17.301 10.583 282 H SER 852 H SER 42 -2.016 14.278 13.131 283 HA SER 852 HA SER 42 -0.695 14.652 15.726 284 HB2 SER 852 HB2 SER 42 -3.153 14.582 15.585 285 HB3 SER 852 HB3 SER 42 -3.060 12.941 14.906 286 HG SER 852 HG SER 42 -3.449 12.968 17.201 287 H CYS 853 H CYS 43 -1.093 12.088 13.254 288 HA CYS 853 HA CYS 43 -0.163 9.934 14.839 289 HB2 CYS 853 HB2 CYS 43 -0.570 10.453 11.903 290 HB3 CYS 853 HB3 CYS 43 -0.068 8.892 12.533 291 H SER 854 H SER 44 1.429 12.273 12.771 292 HA SER 854 HA SER 44 3.956 11.006 12.336 293 HB2 SER 854 HB2 SER 44 4.670 13.258 11.774 294 HB3 SER 854 HB3 SER 44 3.023 13.012 11.189 295 HG SER 854 HG SER 44 3.250 15.019 12.290 296 H ASP 855 H ASP 45 2.578 12.417 15.181 297 HA ASP 855 HA ASP 45 5.152 12.469 16.619 298 HB2 ASP 855 HB2 ASP 45 3.514 14.410 16.760 299 HB3 ASP 855 HB3 ASP 45 2.415 13.324 17.614 300 H CYS 856 H CYS 46 2.709 10.276 15.887 301 HA CYS 856 HA CYS 46 2.462 9.029 18.498 302 HB2 CYS 856 HB2 CYS 46 0.675 9.179 16.640 303 HB3 CYS 856 HB3 CYS 46 1.587 7.902 15.819 304 HG CYS 856 HG CYS 46 0.186 7.899 18.840 305 H LEU 857 H LEU 47 4.515 8.643 15.742 306 HA LEU 857 HA LEU 47 6.337 7.443 15.300 307 HB2 LEU 857 HB2 LEU 47 6.880 8.825 17.288 308 HB3 LEU 857 HB3 LEU 47 6.612 7.433 18.326 309 HG LEU 857 HG LEU 47 8.518 6.260 17.411 310 HD11 LEU 857 HD11 LEU 47 8.573 8.491 15.337 311 HD12 LEU 857 HD12 LEU 47 8.467 6.726 15.066 312 HD13 LEU 857 HD13 LEU 47 9.969 7.460 15.656 313 HD21 LEU 857 HD21 LEU 47 10.317 7.833 18.001 314 HD22 LEU 857 HD22 LEU 47 8.946 8.025 19.099 315 HD23 LEU 857 HD23 LEU 47 9.207 9.205 17.793 316 H HIS 858 H HIS 48 5.133 5.752 14.390 317 HA HIS 858 HA HIS 48 5.017 3.189 15.893 318 HB2 HIS 858 HB2 HIS 48 2.901 4.080 14.866 319 HB3 HIS 858 HB3 HIS 48 3.666 3.983 13.283 320 HD2 HIS 858 HD2 HIS 48 2.849 1.932 11.987 321 HE1 HIS 858 HE1 HIS 48 2.492 -0.886 15.169 322 HE2 HIS 858 HE2 HIS 48 2.225 -0.539 12.661 323 H GLU 859 H GLU 49 5.582 1.208 14.582 324 HA GLU 859 HA GLU 49 7.715 1.661 12.609 325 HB2 GLU 859 HB2 GLU 49 8.147 -0.127 15.045 326 HB3 GLU 859 HB3 GLU 49 9.323 0.324 13.851 327 HG2 GLU 859 HG2 GLU 49 9.207 2.700 14.657 328 HG3 GLU 859 HG3 GLU 49 8.055 2.177 15.878 329 H THR 860 H THR 50 8.322 -0.205 11.338 330 HA THR 860 HA THR 50 6.418 -2.520 11.599 331 HB THR 860 HB THR 50 5.922 -2.601 9.343 332 HG1 THR 860 HG1 THR 50 6.923 -1.281 7.801 333 HG21 THR 860 HG21 THR 50 4.886 -0.466 8.757 334 HG22 THR 860 HG22 THR 50 5.815 0.391 10.002 335 HG23 THR 860 HG23 THR 50 4.636 -0.820 10.483 336 H ASP 861 H ASP 51 7.641 -3.753 9.237 337 HA ASP 861 HA ASP 51 9.887 -5.124 10.481 338 HB2 ASP 861 HB2 ASP 51 8.633 -5.338 7.780 339 HB3 ASP 861 HB3 ASP 51 9.916 -6.381 8.370 340 H ILE 862 H ILE 52 9.375 -2.543 8.236 341 HA ILE 862 HA ILE 52 12.274 -2.275 7.741 342 HB ILE 862 HB ILE 52 9.925 -1.525 6.026 343 HG12 ILE 862 HG12 ILE 52 12.364 -3.368 5.833 344 HG13 ILE 862 HG13 ILE 52 10.684 -3.873 5.984 345 HG21 ILE 862 HG21 ILE 52 11.351 0.400 5.961 346 HG22 ILE 862 HG22 ILE 52 11.781 -0.566 4.541 347 HG23 ILE 862 HG23 ILE 52 12.816 -0.604 5.987 348 HD11 ILE 862 HD11 ILE 52 10.184 -2.877 3.803 349 HD12 ILE 862 HD12 ILE 52 11.358 -4.210 3.745 350 HD13 ILE 862 HD13 ILE 52 11.933 -2.538 3.593 351 H HIS 863 H HIS 53 9.241 -0.566 8.595 352 HA HIS 863 HA HIS 53 10.576 1.989 8.841 353 HB2 HIS 863 HB2 HIS 53 8.355 2.181 8.285 354 HB3 HIS 863 HB3 HIS 53 7.809 0.896 9.237 355 HD1 HIS 863 HD1 HIS 53 9.532 3.124 11.739 356 HD2 HIS 863 HD2 HIS 53 6.295 3.489 10.706 357 HE1 HIS 863 HE1 HIS 53 9.208 5.504 11.188 358 H LYS 864 H LYS 54 11.637 2.750 10.504 359 HA LYS 864 HA LYS 54 10.964 1.699 13.208 360 HB2 LYS 864 HB2 LYS 54 13.782 2.120 12.144 361 HB3 LYS 864 HB3 LYS 54 13.300 1.631 13.746 362 HG2 LYS 864 HG2 LYS 54 12.743 -0.040 11.198 363 HG3 LYS 864 HG3 LYS 54 14.103 -0.272 12.226 364 HD2 LYS 864 HD2 LYS 54 12.641 -0.912 14.134 365 HD3 LYS 864 HD3 LYS 54 11.247 -0.630 13.178 366 HE2 LYS 864 HE2 LYS 54 11.494 -2.902 12.957 367 HE3 LYS 864 HE3 LYS 54 12.144 -2.292 11.448 368 HZ1 LYS 864 HZ1 LYS 54 14.406 -2.587 12.390 369 HZ2 LYS 864 HZ2 LYS 54 13.596 -4.000 12.439 370 HZ3 LYS 864 HZ3 LYS 54 13.783 -3.131 13.806 371 H GLU 865 H GLU 55 11.649 3.049 15.007 372 HA GLU 865 HA GLU 55 11.171 5.845 14.544 373 HB2 GLU 865 HB2 GLU 55 11.334 6.059 16.912 374 HB3 GLU 865 HB3 GLU 55 10.424 4.607 16.535 375 HG2 GLU 865 HG2 GLU 55 12.573 3.296 16.977 376 HG3 GLU 865 HG3 GLU 55 13.340 4.802 17.453 377 H ASP 866 H ASP 56 13.891 4.232 13.815 378 HA ASP 866 HA ASP 56 16.039 5.728 14.943 379 HB2 ASP 866 HB2 ASP 56 15.782 3.982 12.535 380 HB3 ASP 866 HB3 ASP 56 17.307 4.650 13.069 381 H HIS 867 H HIS 57 13.754 6.475 12.443 382 HA HIS 867 HA HIS 57 15.645 8.098 10.895 383 HB2 HIS 867 HB2 HIS 57 14.091 7.938 9.190 384 HB3 HIS 867 HB3 HIS 57 14.419 6.360 9.848 385 HD1 HIS 867 HD1 HIS 57 11.587 8.834 11.028 386 HD2 HIS 867 HD2 HIS 57 12.378 5.148 9.215 387 HE1 HIS 867 HE1 HIS 57 9.359 8.027 10.109 388 H GLN 868 H GLN 58 13.670 9.620 9.675 389 HA GLN 868 HA GLN 58 12.424 11.465 11.556 390 HB2 GLN 868 HB2 GLN 58 13.442 13.463 10.407 391 HB3 GLN 868 HB3 GLN 58 14.493 12.585 11.498 392 HG2 GLN 868 HG2 GLN 58 14.580 11.994 8.516 393 HG3 GLN 868 HG3 GLN 58 15.391 13.407 9.173 394 HE21 GLN 868 HE21 GLN 58 16.997 12.933 11.050 395 HE22 GLN 868 HE22 GLN 58 17.892 11.427 10.866 396 H LEU 869 H LEU 59 10.866 12.899 10.526 397 HA LEU 869 HA LEU 59 9.751 11.835 7.958 398 HB2 LEU 869 HB2 LEU 59 8.386 13.396 10.184 399 HB3 LEU 869 HB3 LEU 59 7.643 12.676 8.753 400 HG LEU 869 HG LEU 59 6.989 11.523 10.663 401 HD11 LEU 869 HD11 LEU 59 7.475 9.243 9.974 402 HD12 LEU 869 HD12 LEU 59 8.898 9.821 9.061 403 HD13 LEU 869 HD13 LEU 59 7.251 10.275 8.568 404 HD21 LEU 869 HD21 LEU 59 9.794 10.591 11.282 405 HD22 LEU 869 HD22 LEU 59 8.302 10.238 12.152 406 HD23 LEU 869 HD23 LEU 59 8.942 11.889 12.160 407 H GLU 870 H GLU 60 8.907 13.199 6.413 408 HA GLU 870 HA GLU 60 9.860 16.027 6.451 409 HB2 GLU 870 HB2 GLU 60 10.522 14.405 4.625 410 HB3 GLU 870 HB3 GLU 60 8.843 14.338 4.162 411 HG2 GLU 870 HG2 GLU 60 9.738 15.852 2.708 412 HG3 GLU 870 HG3 GLU 60 8.964 16.905 3.890 413 HA PRO 871 HA PRO 61 5.370 16.900 6.919 414 HB2 PRO 871 HB2 PRO 61 5.506 19.541 7.536 415 HB3 PRO 871 HB3 PRO 61 5.854 18.256 8.718 416 HG2 PRO 871 HG2 PRO 61 7.823 19.903 7.129 417 HG3 PRO 871 HG3 PRO 61 7.899 19.438 8.855 418 HD2 PRO 871 HD2 PRO 61 9.241 18.129 6.817 419 HD3 PRO 871 HD3 PRO 61 8.753 17.326 8.329 420 H ILE 872 H ILE 62 3.925 17.625 5.289 421 HA ILE 872 HA ILE 62 5.092 19.249 3.065 422 HB ILE 872 HB ILE 62 3.062 17.100 2.621 423 HG12 ILE 872 HG12 ILE 62 5.035 15.904 3.582 424 HG13 ILE 872 HG13 ILE 62 4.655 15.452 1.948 425 HG21 ILE 872 HG21 ILE 62 5.054 18.481 0.763 426 HG22 ILE 872 HG22 ILE 62 3.356 18.885 0.923 427 HG23 ILE 872 HG23 ILE 62 3.816 17.300 0.281 428 HD11 ILE 872 HD11 ILE 62 7.095 15.703 2.398 429 HD12 ILE 872 HD12 ILE 62 6.834 17.452 2.610 430 HD13 ILE 872 HD13 ILE 62 6.516 16.688 1.042 431 H TYR 873 H TYR 63 4.147 21.059 3.025 432 HA TYR 873 HA TYR 63 1.547 21.506 4.295 433 HB2 TYR 873 HB2 TYR 63 3.792 23.402 3.524 434 HB3 TYR 873 HB3 TYR 63 2.285 23.887 4.277 435 HD1 TYR 873 HD1 TYR 63 5.613 22.651 4.921 436 HD2 TYR 873 HD2 TYR 63 1.618 22.897 6.535 437 HE1 TYR 873 HE1 TYR 63 6.508 22.237 7.209 438 HE2 TYR 873 HE2 TYR 63 2.512 22.472 8.815 439 HH TYR 873 HH TYR 63 6.020 22.132 9.467 440 H ARG 874 H ARG 64 2.076 20.477 1.479 441 HA ARG 874 HA ARG 64 0.026 22.022 0.089 442 HB2 ARG 874 HB2 ARG 64 1.448 22.422 -1.895 443 HB3 ARG 874 HB3 ARG 64 1.929 23.339 -0.461 444 HG2 ARG 874 HG2 ARG 64 3.838 21.869 -0.073 445 HG3 ARG 874 HG3 ARG 64 3.312 20.778 -1.372 446 HD2 ARG 874 HD2 ARG 64 3.558 22.578 -3.010 447 HD3 ARG 874 HD3 ARG 64 4.063 23.695 -1.719 448 HE ARG 874 HE ARG 64 5.769 21.394 -1.704 449 HH11 ARG 874 HH11 ARG 64 5.220 24.219 -3.707 450 HH12 ARG 874 HH12 ARG 64 6.858 24.226 -4.305 451 HH21 ARG 874 HH21 ARG 64 7.836 21.458 -2.512 452 HH22 ARG 874 HH22 ARG 64 8.296 22.693 -3.650 453 H1 ALA 1 H1 ALA 65 0.220 5.608 3.600 454 H2 ALA 1 H2 ALA 65 1.728 5.893 3.017 455 H3 ALA 1 H3 ALA 65 1.510 4.765 4.188 456 HA ALA 1 HA ALA 65 1.871 3.772 2.003 457 HB1 ALA 1 HB1 ALA 65 0.630 2.505 3.716 458 HB2 ALA 1 HB2 ALA 65 0.002 2.182 2.097 459 HB3 ALA 1 HB3 ALA 65 -0.891 3.268 3.184 460 H ARG 2 H ARG 66 0.895 3.315 -0.154 461 HA ARG 2 HA ARG 66 -0.451 5.827 -1.091 462 HB2 ARG 2 HB2 ARG 66 1.459 4.080 -2.671 463 HB3 ARG 2 HB3 ARG 66 0.806 5.653 -3.130 464 HG2 ARG 2 HG2 ARG 66 2.733 5.063 -0.853 465 HG3 ARG 2 HG3 ARG 66 3.107 5.885 -2.364 466 HD2 ARG 2 HD2 ARG 66 1.746 7.822 -1.703 467 HD3 ARG 2 HD3 ARG 66 1.118 6.951 -0.303 468 HE ARG 2 HE ARG 66 2.924 7.423 0.934 469 HH11 ARG 2 HH11 ARG 66 4.097 8.030 -2.332 470 HH12 ARG 2 HH12 ARG 66 5.480 8.890 -1.733 471 HH21 ARG 2 HH21 ARG 66 4.384 8.760 1.566 472 HH22 ARG 2 HH22 ARG 66 5.687 9.263 0.522 473 H THR 3 H THR 67 -2.251 5.838 -1.900 474 HA THR 3 HA THR 67 -3.424 3.559 -3.438 475 HB THR 3 HB THR 67 -5.603 4.636 -2.902 476 HG1 THR 3 HG1 THR 67 -5.635 6.312 -1.428 477 HG21 THR 3 HG21 THR 67 -5.752 4.022 -0.549 478 HG22 THR 3 HG22 THR 67 -3.988 4.111 -0.358 479 HG23 THR 3 HG23 THR 67 -4.717 2.850 -1.383 480 HH31 ALY 4 H26 ALY 68 2.590 11.300 -10.498 481 HH32 ALY 4 H27 ALY 68 1.026 12.145 -10.479 482 HH33 ALY 4 H28 ALY 68 1.080 10.376 -10.323 483 HZ ALY 4 HZ1 ALY 68 -0.332 11.380 -8.471 484 HE3 ALY 4 HE3 ALY 68 1.195 12.147 -6.057 485 HE2 ALY 4 HE2 ALY 68 -0.562 12.113 -6.239 486 HD3 ALY 4 HD3 ALY 68 1.235 9.646 -6.041 487 HD2 ALY 4 HD2 ALY 68 0.310 10.352 -4.713 488 HG3 ALY 4 HG3 ALY 68 -1.806 9.952 -6.011 489 HG2 ALY 4 HG2 ALY 68 -0.846 9.130 -7.259 490 HB3 ALY 4 HB3 ALY 68 -0.077 7.476 -5.571 491 HB2 ALY 4 HB2 ALY 68 -0.963 8.340 -4.314 492 HCA ALY 4 HA ALY 68 -3.096 7.889 -5.697 493 H ALY 4 H ALY 68 -1.634 6.171 -3.959 494 H GLN 5 H GLN 69 -0.870 5.203 -6.366 495 HA GLN 5 HA GLN 69 -0.801 5.416 -9.212 496 HB2 GLN 5 HB2 GLN 69 0.338 3.340 -9.167 497 HB3 GLN 5 HB3 GLN 69 0.914 4.280 -7.807 498 HG2 GLN 5 HG2 GLN 69 -1.115 1.995 -7.621 499 HG3 GLN 5 HG3 GLN 69 0.610 1.829 -7.371 500 HE21 GLN 5 HE21 GLN 69 -1.028 0.949 -5.339 501 HE22 GLN 5 HE22 GLN 69 -0.901 2.087 -3.994 502 H THR 6 H THR 70 -1.718 4.064 -10.836 503 HA THR 6 HA THR 70 -4.549 3.550 -10.510 504 HB THR 6 HB THR 70 -4.413 2.756 -12.859 505 HG1 THR 6 HG1 THR 70 -2.407 2.815 -13.893 506 HG21 THR 6 HG21 THR 70 -4.622 5.192 -12.378 507 HG22 THR 6 HG22 THR 70 -3.752 4.859 -13.885 508 HG23 THR 6 HG23 THR 70 -2.855 5.347 -12.435 509 H ALA 7 H ALA 71 -1.707 1.476 -10.404 510 HA ALA 7 HA ALA 71 -1.364 -0.724 -10.097 511 HB1 ALA 7 HB1 ALA 71 -2.692 -1.831 -8.395 512 HB2 ALA 7 HB2 ALA 71 -4.003 -0.652 -8.593 513 HB3 ALA 7 HB3 ALA 71 -2.425 -0.137 -7.949 514 H ARG 8 H ARG 72 -2.611 -0.064 -12.613 515 HA ARG 8 HA ARG 72 -3.536 -2.750 -13.445 516 HB2 ARG 8 HB2 ARG 72 -5.055 -0.169 -14.022 517 HB3 ARG 8 HB3 ARG 72 -5.314 -1.675 -14.887 518 HG2 ARG 8 HG2 ARG 72 -5.806 -1.256 -11.908 519 HG3 ARG 8 HG3 ARG 72 -7.028 -1.273 -13.175 520 HD2 ARG 8 HD2 ARG 72 -6.478 -3.617 -13.723 521 HD3 ARG 8 HD3 ARG 72 -5.249 -3.650 -12.465 522 HE ARG 8 HE ARG 72 -8.164 -3.741 -12.138 523 HH11 ARG 8 HH11 ARG 72 -9.009 -4.261 -10.168 524 HH12 ARG 8 HH12 ARG 72 -8.007 -4.237 -8.748 525 HH21 ARG 8 HH21 ARG 72 -5.144 -3.267 -10.391 526 HH22 ARG 8 HH22 ARG 72 -5.869 -3.731 -8.872 Start of MODEL 12 1 H1 GLY 811 H1 GLY 1 -0.598 28.960 -5.560 2 H2 GLY 811 H2 GLY 1 0.472 28.589 -4.375 3 H3 GLY 811 H3 GLY 1 -0.906 29.396 -4.013 4 HA2 GLY 811 HA2 GLY 1 -2.266 27.487 -4.632 5 HA3 GLY 811 HA3 GLY 1 -0.768 26.616 -5.015 6 HA PRO 812 HA PRO 2 -2.128 25.571 -0.691 7 HB2 PRO 812 HB2 PRO 2 -1.054 22.921 -1.673 8 HB3 PRO 812 HB3 PRO 2 -2.466 23.237 -0.620 9 HG2 PRO 812 HG2 PRO 2 -2.857 22.691 -3.229 10 HG3 PRO 812 HG3 PRO 2 -3.753 24.052 -2.478 11 HD2 PRO 812 HD2 PRO 2 -1.206 24.161 -4.136 12 HD3 PRO 812 HD3 PRO 2 -2.700 25.137 -4.301 13 H LEU 813 H LEU 3 -0.936 25.153 1.172 14 HA LEU 813 HA LEU 3 1.880 24.299 1.003 15 HB2 LEU 813 HB2 LEU 3 1.880 26.782 0.767 16 HB3 LEU 813 HB3 LEU 3 1.232 26.935 2.387 17 HG LEU 813 HG LEU 3 3.844 25.469 1.771 18 HD11 LEU 813 HD11 LEU 3 3.480 28.405 2.500 19 HD12 LEU 813 HD12 LEU 3 3.998 27.780 0.917 20 HD13 LEU 813 HD13 LEU 3 5.028 27.546 2.333 21 HD21 LEU 813 HD21 LEU 3 3.066 25.012 4.047 22 HD22 LEU 813 HD22 LEU 3 2.772 26.746 4.330 23 HD23 LEU 813 HD23 LEU 3 4.424 26.124 4.118 24 H GLY 814 H GLY 4 -0.392 25.637 3.406 25 HA2 GLY 814 HA2 GLY 4 0.080 23.310 5.228 26 HA3 GLY 814 HA3 GLY 4 -0.611 24.873 5.680 27 H SER 815 H SER 5 -1.689 23.391 2.755 28 HA SER 815 HA SER 5 -4.299 22.542 3.842 29 HB2 SER 815 HB2 SER 5 -5.319 23.902 1.980 30 HB3 SER 815 HB3 SER 5 -4.498 24.862 3.227 31 HG SER 815 HG SER 5 -3.934 25.519 1.082 32 H VAL 816 H VAL 6 -1.823 21.223 2.482 33 HA VAL 816 HA VAL 6 -2.402 20.482 -0.191 34 HB VAL 816 HB VAL 6 -0.584 19.341 1.982 35 HG11 VAL 816 HG11 VAL 6 0.855 18.606 0.150 36 HG12 VAL 816 HG12 VAL 6 -0.450 19.022 -0.999 37 HG13 VAL 816 HG13 VAL 6 -0.708 17.777 0.259 38 HG21 VAL 816 HG21 VAL 6 1.132 20.733 1.265 39 HG22 VAL 816 HG22 VAL 6 -0.218 21.823 1.435 40 HG23 VAL 816 HG23 VAL 6 0.254 21.283 -0.191 41 H GLN 817 H GLN 7 -3.611 18.895 -1.007 42 HA GLN 817 HA GLN 7 -4.617 16.765 0.782 43 HB2 GLN 817 HB2 GLN 7 -5.967 16.161 -1.078 44 HB3 GLN 817 HB3 GLN 7 -6.100 17.898 -0.823 45 HG2 GLN 817 HG2 GLN 7 -5.689 18.175 -2.989 46 HG3 GLN 817 HG3 GLN 7 -4.036 17.763 -2.690 47 HE21 GLN 817 HE21 GLN 7 -6.620 16.915 -4.689 48 HE22 GLN 817 HE22 GLN 7 -6.082 15.293 -5.083 49 H HIS 818 H HIS 8 -3.857 14.675 0.756 50 HA HIS 818 HA HIS 8 -2.166 13.811 -1.539 51 HB2 HIS 818 HB2 HIS 8 -1.528 13.753 1.342 52 HB3 HIS 818 HB3 HIS 8 -1.235 12.250 0.488 53 HD2 HIS 818 HD2 HIS 8 0.140 15.700 0.817 54 HE1 HIS 818 HE1 HIS 8 2.223 14.048 -2.502 55 HE2 HIS 818 HE2 HIS 8 2.062 16.060 -0.985 56 H VAL 819 H VAL 9 -4.309 13.428 -2.358 57 HA VAL 819 HA VAL 9 -5.805 11.073 -1.742 58 HB VAL 819 HB VAL 9 -5.370 12.657 -4.274 59 HG11 VAL 819 HG11 VAL 9 -7.319 11.484 -5.197 60 HG12 VAL 819 HG12 VAL 9 -7.309 10.348 -3.828 61 HG13 VAL 819 HG13 VAL 9 -5.957 10.381 -4.994 62 HG21 VAL 819 HG21 VAL 9 -7.734 12.319 -2.349 63 HG22 VAL 819 HG22 VAL 9 -7.691 13.377 -3.780 64 HG23 VAL 819 HG23 VAL 9 -6.650 13.723 -2.391 65 H GLY 820 H GLY 10 -5.114 9.085 -1.616 66 HA2 GLY 820 HA2 GLY 10 -3.988 7.145 -2.504 67 HA3 GLY 820 HA3 GLY 10 -2.749 8.174 -3.207 68 H PHE 821 H PHE 11 -3.251 9.380 -0.060 69 HA PHE 821 HA PHE 11 -1.415 7.387 1.209 70 HB2 PHE 821 HB2 PHE 11 -0.968 10.356 1.372 71 HB3 PHE 821 HB3 PHE 11 0.056 9.077 1.966 72 HD1 PHE 821 HD1 PHE 11 -1.277 10.642 -1.143 73 HD2 PHE 821 HD2 PHE 11 1.877 8.363 0.674 74 HE1 PHE 821 HE1 PHE 11 0.118 11.038 -3.132 75 HE2 PHE 821 HE2 PHE 11 3.273 8.693 -1.379 76 HZ PHE 821 HZ PHE 11 2.417 10.178 -3.211 77 H LYS 822 H LYS 12 -2.990 6.617 2.517 78 HA LYS 822 HA LYS 12 -4.518 8.369 4.390 79 HB2 LYS 822 HB2 LYS 12 -5.898 6.829 3.663 80 HB3 LYS 822 HB3 LYS 12 -4.719 5.649 3.301 81 HG2 LYS 822 HG2 LYS 12 -5.421 6.195 6.229 82 HG3 LYS 822 HG3 LYS 12 -6.556 5.407 5.174 83 HD2 LYS 822 HD2 LYS 12 -4.848 3.671 4.558 84 HD3 LYS 822 HD3 LYS 12 -3.680 4.490 5.599 85 HE2 LYS 822 HE2 LYS 12 -4.514 2.550 6.722 86 HE3 LYS 822 HE3 LYS 12 -5.026 4.019 7.573 87 HZ1 LYS 822 HZ1 LYS 12 -7.262 3.731 6.608 88 HZ2 LYS 822 HZ2 LYS 12 -6.837 2.339 7.345 89 HZ3 LYS 822 HZ3 LYS 12 -6.770 2.435 5.726 90 H CYS 823 H CYS 13 -4.098 8.514 6.572 91 HA CYS 823 HA CYS 13 -1.419 8.228 7.559 92 HB2 CYS 823 HB2 CYS 13 -3.052 9.951 8.272 93 HB3 CYS 823 HB3 CYS 13 -4.079 8.646 8.901 94 H ASP 824 H ASP 14 -0.556 6.784 8.980 95 HA ASP 824 HA ASP 14 -1.817 4.096 9.252 96 HB2 ASP 824 HB2 ASP 14 0.937 5.224 9.865 97 HB3 ASP 824 HB3 ASP 14 0.429 3.625 10.393 98 H ASN 825 H ASN 15 -0.814 6.822 11.307 99 HA ASN 825 HA ASN 15 -1.244 5.417 13.790 100 HB2 ASN 825 HB2 ASN 15 0.165 7.432 13.655 101 HB3 ASN 825 HB3 ASN 15 -1.282 8.393 13.262 102 HD21 ASN 825 HD21 ASN 15 -1.607 9.611 15.064 103 HD22 ASN 825 HD22 ASN 15 -1.752 8.994 16.702 104 H CYS 826 H CYS 16 -3.377 8.030 12.399 105 HA CYS 826 HA CYS 16 -5.621 7.283 14.064 106 HB2 CYS 826 HB2 CYS 16 -5.599 8.781 11.420 107 HB3 CYS 826 HB3 CYS 16 -6.909 8.752 12.604 108 H GLY 827 H GLY 17 -4.685 6.664 10.767 109 HA2 GLY 827 HA2 GLY 17 -5.353 4.873 9.436 110 HA3 GLY 827 HA3 GLY 17 -6.852 4.715 10.323 111 H ILE 828 H ILE 18 -6.182 8.012 9.892 112 HA ILE 828 HA ILE 18 -8.543 8.502 8.480 113 HB ILE 828 HB ILE 18 -7.656 10.093 10.032 114 HG12 ILE 828 HG12 ILE 18 -7.615 11.355 7.255 115 HG13 ILE 828 HG13 ILE 18 -9.075 10.770 8.000 116 HG21 ILE 828 HG21 ILE 18 -5.241 9.999 9.821 117 HG22 ILE 828 HG22 ILE 18 -5.730 11.624 9.466 118 HG23 ILE 828 HG23 ILE 18 -5.311 10.547 8.128 119 HD11 ILE 828 HD11 ILE 18 -8.749 12.339 9.918 120 HD12 ILE 828 HD12 ILE 18 -8.990 13.128 8.348 121 HD13 ILE 828 HD13 ILE 18 -7.366 13.050 9.045 122 H GLU 829 H GLU 19 -9.050 8.993 6.510 123 HA GLU 829 HA GLU 19 -7.688 7.872 4.305 124 HB2 GLU 829 HB2 GLU 19 -9.347 9.598 3.117 125 HB3 GLU 829 HB3 GLU 19 -9.844 8.024 3.628 126 HG2 GLU 829 HG2 GLU 19 -10.183 10.543 5.335 127 HG3 GLU 829 HG3 GLU 19 -11.366 10.034 4.140 128 HA PRO 830 HA PRO 20 -4.919 10.297 1.979 129 HB2 PRO 830 HB2 PRO 20 -7.491 11.713 1.177 130 HB3 PRO 830 HB3 PRO 20 -6.019 11.389 0.219 131 HG2 PRO 830 HG2 PRO 20 -8.256 9.754 0.389 132 HG3 PRO 830 HG3 PRO 20 -6.659 9.221 -0.212 133 HD2 PRO 830 HD2 PRO 20 -7.851 8.249 2.107 134 HD3 PRO 830 HD3 PRO 20 -6.120 8.163 1.712 135 H ILE 831 H ILE 21 -3.718 11.248 3.456 136 HA ILE 831 HA ILE 21 -4.422 13.025 5.422 137 HB ILE 831 HB ILE 21 -1.786 12.619 3.973 138 HG12 ILE 831 HG12 ILE 21 -2.539 11.693 6.783 139 HG13 ILE 831 HG13 ILE 21 -2.977 10.741 5.383 140 HG21 ILE 831 HG21 ILE 21 -1.574 14.809 4.981 141 HG22 ILE 831 HG22 ILE 21 -0.714 13.684 6.015 142 HG23 ILE 831 HG23 ILE 21 -2.320 14.248 6.493 143 HD11 ILE 831 HD11 ILE 21 -0.120 11.558 5.953 144 HD12 ILE 831 HD12 ILE 21 -0.707 10.496 4.660 145 HD13 ILE 831 HD13 ILE 21 -0.849 9.996 6.357 146 H GLN 832 H GLN 22 -4.638 15.108 5.775 147 HA GLN 832 HA GLN 22 -4.515 16.965 3.453 148 HB2 GLN 832 HB2 GLN 22 -6.282 17.072 5.916 149 HB3 GLN 832 HB3 GLN 22 -6.273 18.220 4.580 150 HG2 GLN 832 HG2 GLN 22 -7.015 15.265 4.337 151 HG3 GLN 832 HG3 GLN 22 -8.147 16.597 4.455 152 HE21 GLN 832 HE21 GLN 22 -7.008 14.541 2.210 153 HE22 GLN 832 HE22 GLN 22 -7.217 15.594 0.805 154 H GLY 833 H GLY 23 -3.493 18.848 3.617 155 HA2 GLY 833 HA2 GLY 23 -2.785 20.823 4.896 156 HA3 GLY 833 HA3 GLY 23 -2.312 19.768 6.195 157 H VAL 834 H VAL 24 -0.786 18.013 5.565 158 HA VAL 834 HA VAL 24 1.327 18.559 3.655 159 HB VAL 834 HB VAL 24 1.684 20.021 5.648 160 HG11 VAL 834 HG11 VAL 24 2.156 17.510 7.233 161 HG12 VAL 834 HG12 VAL 24 0.753 18.597 7.375 162 HG13 VAL 834 HG13 VAL 24 2.371 19.189 7.779 163 HG21 VAL 834 HG21 VAL 24 3.786 17.839 5.315 164 HG22 VAL 834 HG22 VAL 24 4.059 19.393 6.111 165 HG23 VAL 834 HG23 VAL 24 3.677 19.373 4.396 166 H ARG 835 H ARG 25 2.257 16.535 3.080 167 HA ARG 835 HA ARG 25 1.230 14.122 4.525 168 HB2 ARG 835 HB2 ARG 25 1.161 13.771 2.233 169 HB3 ARG 835 HB3 ARG 25 2.735 14.507 1.929 170 HG2 ARG 835 HG2 ARG 25 3.837 12.578 3.036 171 HG3 ARG 835 HG3 ARG 25 2.242 11.849 3.325 172 HD2 ARG 835 HD2 ARG 25 1.904 11.701 0.864 173 HD3 ARG 835 HD3 ARG 25 3.506 12.425 0.613 174 HE ARG 835 HE ARG 25 3.124 9.905 2.226 175 HH11 ARG 835 HH11 ARG 25 4.380 8.366 2.125 176 HH12 ARG 835 HH12 ARG 25 5.811 8.362 1.111 177 HH21 ARG 835 HH21 ARG 25 4.905 11.325 -0.479 178 HH22 ARG 835 HH22 ARG 25 5.995 9.963 -0.492 179 H TRP 836 H TRP 26 2.702 12.583 5.458 180 HA TRP 836 HA TRP 26 5.431 13.641 6.037 181 HB2 TRP 836 HB2 TRP 26 3.578 12.476 8.122 182 HB3 TRP 836 HB3 TRP 26 5.310 12.511 8.264 183 HD1 TRP 836 HD1 TRP 26 2.391 14.888 8.334 184 HE1 TRP 836 HE1 TRP 26 3.212 17.110 9.421 185 HE3 TRP 836 HE3 TRP 26 7.385 14.073 8.119 186 HZ2 TRP 836 HZ2 TRP 26 5.697 18.141 10.425 187 HZ3 TRP 836 HZ3 TRP 26 8.975 15.552 9.307 188 HH2 TRP 836 HH2 TRP 26 8.146 17.541 10.521 189 H HIS 837 H HIS 27 6.498 12.452 4.708 190 HA HIS 837 HA HIS 27 5.978 9.541 4.263 191 HB2 HIS 837 HB2 HIS 27 6.505 10.980 2.330 192 HB3 HIS 837 HB3 HIS 27 7.903 11.634 3.140 193 HD2 HIS 837 HD2 HIS 27 10.164 10.608 2.553 194 HE1 HIS 837 HE1 HIS 27 8.895 6.852 0.971 195 HE2 HIS 837 HE2 HIS 27 10.906 8.361 1.386 196 H CYS 838 H CYS 28 7.072 7.995 5.669 197 HA CYS 838 HA CYS 28 9.301 8.942 7.289 198 HB2 CYS 838 HB2 CYS 28 7.762 7.212 7.969 199 HB3 CYS 838 HB3 CYS 28 8.471 6.176 6.705 200 H GLN 839 H GLN 29 11.328 9.043 6.887 201 HA GLN 839 HA GLN 29 12.201 9.029 4.142 202 HB2 GLN 839 HB2 GLN 29 13.738 9.359 6.750 203 HB3 GLN 839 HB3 GLN 29 14.426 9.579 5.146 204 HG2 GLN 839 HG2 GLN 29 12.748 11.369 4.671 205 HG3 GLN 839 HG3 GLN 29 12.193 11.268 6.347 206 HE21 GLN 839 HE21 GLN 29 13.258 13.760 5.353 207 HE22 GLN 839 HE22 GLN 29 14.829 13.968 6.049 208 H ASP 840 H ASP 30 12.762 6.811 6.924 209 HA ASP 840 HA ASP 30 14.655 5.220 5.281 210 HB2 ASP 840 HB2 ASP 30 15.110 6.049 7.666 211 HB3 ASP 840 HB3 ASP 30 13.794 5.060 8.123 212 H CYS 841 H CYS 31 11.320 4.951 6.564 213 HA CYS 841 HA CYS 31 11.064 2.121 6.256 214 HB2 CYS 841 HB2 CYS 31 8.993 4.340 6.126 215 HB3 CYS 841 HB3 CYS 31 8.625 2.650 5.879 216 HA PRO 842 HA PRO 32 11.417 1.845 1.911 217 HB2 PRO 842 HB2 PRO 32 10.573 -0.662 1.333 218 HB3 PRO 842 HB3 PRO 32 11.934 -0.360 2.457 219 HG2 PRO 842 HG2 PRO 32 9.029 -0.901 3.162 220 HG3 PRO 842 HG3 PRO 32 10.496 -1.670 3.840 221 HD2 PRO 842 HD2 PRO 32 9.202 0.481 5.021 222 HD3 PRO 842 HD3 PRO 32 10.944 0.160 5.200 223 HA PRO 843 HA PRO 33 7.758 3.164 -0.292 224 HB2 PRO 843 HB2 PRO 33 8.803 1.422 -2.547 225 HB3 PRO 843 HB3 PRO 33 8.148 3.081 -2.625 226 HG2 PRO 843 HG2 PRO 33 10.820 2.712 -2.637 227 HG3 PRO 843 HG3 PRO 33 10.129 3.972 -1.560 228 HD2 PRO 843 HD2 PRO 33 10.989 1.149 -0.847 229 HD3 PRO 843 HD3 PRO 33 11.329 2.693 -0.003 230 H GLU 844 H GLU 34 8.459 -0.311 -0.420 231 HA GLU 844 HA GLU 34 5.947 -1.313 -1.227 232 HB2 GLU 844 HB2 GLU 34 8.016 -2.609 -1.077 233 HB3 GLU 844 HB3 GLU 34 7.995 -2.513 0.686 234 HG2 GLU 844 HG2 GLU 34 5.931 -3.834 0.782 235 HG3 GLU 844 HG3 GLU 34 5.791 -3.815 -0.976 236 H MET 845 H MET 35 6.974 -0.234 1.970 237 HA MET 845 HA MET 35 4.295 -0.862 3.158 238 HB2 MET 845 HB2 MET 35 7.012 -0.195 4.293 239 HB3 MET 845 HB3 MET 35 5.587 0.046 5.278 240 HG2 MET 845 HG2 MET 35 6.250 -2.582 3.929 241 HG3 MET 845 HG3 MET 35 6.675 -2.168 5.584 242 HE1 MET 845 HE1 MET 35 4.053 -0.734 6.874 243 HE2 MET 845 HE2 MET 35 5.081 -1.987 7.615 244 HE3 MET 845 HE3 MET 35 3.322 -2.198 7.547 245 H SER 846 H SER 36 6.462 1.908 2.580 246 HA SER 846 HA SER 36 6.228 4.154 2.873 247 HB2 SER 846 HB2 SER 36 5.534 3.653 0.585 248 HB3 SER 846 HB3 SER 36 3.839 3.645 1.112 249 HG SER 846 HG SER 36 4.634 5.709 0.260 250 H LEU 847 H LEU 37 5.868 4.083 5.132 251 HA LEU 847 HA LEU 37 3.130 4.313 6.145 252 HB2 LEU 847 HB2 LEU 37 5.856 4.300 7.417 253 HB3 LEU 847 HB3 LEU 37 4.463 4.829 8.329 254 HG LEU 847 HG LEU 37 3.733 2.335 7.029 255 HD11 LEU 847 HD11 LEU 37 6.484 2.246 8.202 256 HD12 LEU 847 HD12 LEU 37 5.980 1.823 6.584 257 HD13 LEU 847 HD13 LEU 37 5.468 0.808 7.952 258 HD21 LEU 847 HD21 LEU 37 4.389 2.251 9.917 259 HD22 LEU 847 HD22 LEU 37 3.141 1.476 8.981 260 HD23 LEU 847 HD23 LEU 37 2.994 3.199 9.320 261 H ASP 848 H ASP 38 2.187 6.135 7.125 262 HA ASP 848 HA ASP 38 3.391 8.718 6.447 263 HB2 ASP 848 HB2 ASP 38 0.620 7.979 5.495 264 HB3 ASP 848 HB3 ASP 38 1.442 9.520 5.289 265 H PHE 849 H PHE 39 2.615 10.475 7.634 266 HA PHE 849 HA PHE 39 0.338 9.915 9.489 267 HB2 PHE 849 HB2 PHE 39 2.836 11.435 10.312 268 HB3 PHE 849 HB3 PHE 39 1.439 11.050 11.281 269 HD1 PHE 849 HD1 PHE 39 0.873 8.610 11.750 270 HD2 PHE 849 HD2 PHE 39 4.604 9.821 9.993 271 HE1 PHE 849 HE1 PHE 39 1.842 6.380 12.298 272 HE2 PHE 849 HE2 PHE 39 5.557 7.608 10.498 273 HZ PHE 849 HZ PHE 39 4.189 5.865 11.673 274 H CYS 850 H CYS 40 -1.013 11.635 10.071 275 HA CYS 850 HA CYS 40 -1.081 13.848 8.226 276 HB2 CYS 850 HB2 CYS 40 -2.911 14.601 9.564 277 HB3 CYS 850 HB3 CYS 40 -3.198 12.931 9.067 278 H ASP 851 H ASP 41 -1.422 16.106 9.103 279 HA ASP 851 HA ASP 41 0.864 17.194 10.354 280 HB2 ASP 851 HB2 ASP 41 -0.354 19.197 10.428 281 HB3 ASP 851 HB3 ASP 41 -0.754 18.415 8.908 282 H SER 852 H SER 42 -1.792 15.584 11.839 283 HA SER 852 HA SER 42 -1.319 16.751 14.501 284 HB2 SER 852 HB2 SER 42 -3.646 16.162 13.573 285 HB3 SER 852 HB3 SER 42 -3.197 14.475 13.867 286 HG SER 852 HG SER 42 -4.291 15.450 15.676 287 H CYS 853 H CYS 43 -1.052 13.638 12.809 288 HA CYS 853 HA CYS 43 -0.031 12.131 15.012 289 HB2 CYS 853 HB2 CYS 43 -0.590 11.780 12.070 290 HB3 CYS 853 HB3 CYS 43 0.105 10.473 13.003 291 H SER 854 H SER 44 1.434 13.956 12.405 292 HA SER 854 HA SER 44 4.029 12.771 12.425 293 HB2 SER 854 HB2 SER 44 4.746 14.780 11.413 294 HB3 SER 854 HB3 SER 44 3.122 14.442 10.864 295 HG SER 854 HG SER 44 3.973 16.485 12.646 296 H ASP 855 H ASP 45 2.450 14.445 15.011 297 HA ASP 855 HA ASP 45 4.886 15.124 16.461 298 HB2 ASP 855 HB2 ASP 45 2.687 16.387 16.637 299 HB3 ASP 855 HB3 ASP 45 2.014 14.971 17.445 300 H CYS 856 H CYS 46 3.168 12.245 15.825 301 HA CYS 856 HA CYS 46 3.542 10.887 18.348 302 HB2 CYS 856 HB2 CYS 46 1.699 10.480 16.488 303 HB3 CYS 856 HB3 CYS 46 2.984 9.621 15.648 304 HG CYS 856 HG CYS 46 1.661 9.049 18.639 305 H LEU 857 H LEU 47 4.855 8.963 18.501 306 HA LEU 857 HA LEU 47 7.159 8.760 16.627 307 HB2 LEU 857 HB2 LEU 47 7.932 9.872 18.648 308 HB3 LEU 857 HB3 LEU 47 7.323 8.557 19.657 309 HG LEU 857 HG LEU 47 8.962 7.006 18.749 310 HD11 LEU 857 HD11 LEU 47 9.581 9.241 16.772 311 HD12 LEU 857 HD12 LEU 47 9.103 7.556 16.428 312 HD13 LEU 857 HD13 LEU 47 10.704 7.917 17.097 313 HD21 LEU 857 HD21 LEU 47 10.283 9.697 19.296 314 HD22 LEU 857 HD22 LEU 47 11.032 8.091 19.468 315 HD23 LEU 857 HD23 LEU 47 9.701 8.558 20.534 316 H HIS 858 H HIS 48 5.903 7.295 15.510 317 HA HIS 858 HA HIS 48 4.840 4.965 16.943 318 HB2 HIS 858 HB2 HIS 48 3.372 6.362 15.492 319 HB3 HIS 858 HB3 HIS 48 4.350 5.895 14.104 320 HD2 HIS 858 HD2 HIS 48 3.318 3.908 12.775 321 HE1 HIS 858 HE1 HIS 48 1.144 1.984 15.899 322 HE2 HIS 858 HE2 HIS 48 1.677 1.946 13.411 323 H GLU 859 H GLU 49 5.066 2.842 16.372 324 HA GLU 859 HA GLU 49 7.171 2.166 14.443 325 HB2 GLU 859 HB2 GLU 49 7.195 0.793 17.139 326 HB3 GLU 859 HB3 GLU 49 8.396 0.793 15.908 327 HG2 GLU 859 HG2 GLU 49 8.818 3.260 16.363 328 HG3 GLU 859 HG3 GLU 49 7.669 3.139 17.684 329 H THR 860 H THR 50 6.993 0.219 13.468 330 HA THR 860 HA THR 50 4.741 -1.635 14.197 331 HB THR 860 HB THR 50 4.110 -1.969 11.919 332 HG1 THR 860 HG1 THR 50 5.069 -0.843 10.240 333 HG21 THR 860 HG21 THR 50 3.300 0.271 11.205 334 HG22 THR 860 HG22 THR 50 4.205 0.998 12.559 335 HG23 THR 860 HG23 THR 50 2.899 -0.144 12.889 336 H ASP 861 H ASP 51 5.610 -3.196 11.690 337 HA ASP 861 HA ASP 51 7.755 -4.759 12.862 338 HB2 ASP 861 HB2 ASP 51 6.330 -4.923 10.239 339 HB3 ASP 861 HB3 ASP 51 7.516 -6.086 10.795 340 H ILE 862 H ILE 52 7.361 -2.208 10.461 341 HA ILE 862 HA ILE 52 10.264 -2.271 9.900 342 HB ILE 862 HB ILE 52 8.127 -1.114 8.082 343 HG12 ILE 862 HG12 ILE 52 7.838 -3.556 8.111 344 HG13 ILE 862 HG13 ILE 52 8.353 -2.930 6.580 345 HG21 ILE 862 HG21 ILE 52 10.122 -1.360 6.449 346 HG22 ILE 862 HG22 ILE 52 11.128 -1.499 7.893 347 HG23 ILE 862 HG23 ILE 52 10.172 -0.025 7.625 348 HD11 ILE 862 HD11 ILE 52 9.468 -5.039 7.113 349 HD12 ILE 862 HD12 ILE 52 10.236 -4.279 8.531 350 HD13 ILE 862 HD13 ILE 52 10.616 -3.712 6.885 351 H HIS 863 H HIS 53 7.466 -0.337 10.756 352 HA HIS 863 HA HIS 53 8.856 2.218 10.652 353 HB2 HIS 863 HB2 HIS 53 6.506 1.913 10.234 354 HB3 HIS 863 HB3 HIS 53 6.101 1.458 11.779 355 HD1 HIS 863 HD1 HIS 53 5.002 4.012 10.139 356 HD2 HIS 863 HD2 HIS 53 8.327 4.038 12.577 357 HE1 HIS 863 HE1 HIS 53 6.609 5.612 9.061 358 H LYS 864 H LYS 54 10.186 3.031 12.169 359 HA LYS 864 HA LYS 54 10.042 2.054 14.961 360 HB2 LYS 864 HB2 LYS 54 12.587 2.088 13.304 361 HB3 LYS 864 HB3 LYS 54 12.448 1.765 15.020 362 HG2 LYS 864 HG2 LYS 54 11.284 0.064 12.763 363 HG3 LYS 864 HG3 LYS 54 12.741 -0.296 13.647 364 HD2 LYS 864 HD2 LYS 54 11.618 -0.898 15.613 365 HD3 LYS 864 HD3 LYS 54 10.133 -0.150 15.151 366 HE2 LYS 864 HE2 LYS 54 9.638 -1.744 13.482 367 HE3 LYS 864 HE3 LYS 54 11.282 -2.363 13.439 368 HZ1 LYS 864 HZ1 LYS 54 9.879 -3.886 14.671 369 HZ2 LYS 864 HZ2 LYS 54 9.339 -2.721 15.666 370 HZ3 LYS 864 HZ3 LYS 54 10.909 -3.214 15.750 371 H GLU 865 H GLU 55 11.422 3.347 16.444 372 HA GLU 865 HA GLU 55 11.464 6.175 15.845 373 HB2 GLU 865 HB2 GLU 55 12.145 6.420 18.121 374 HB3 GLU 865 HB3 GLU 55 10.875 5.210 18.017 375 HG2 GLU 865 HG2 GLU 55 12.751 3.449 18.101 376 HG3 GLU 865 HG3 GLU 55 13.871 4.761 18.400 377 H ASP 866 H ASP 56 13.561 3.898 14.712 378 HA ASP 866 HA ASP 56 16.120 4.931 15.469 379 HB2 ASP 866 HB2 ASP 56 15.478 2.583 14.737 380 HB3 ASP 866 HB3 ASP 56 15.439 3.239 13.107 381 H HIS 867 H HIS 57 13.737 5.930 13.195 382 HA HIS 867 HA HIS 57 15.603 7.542 11.559 383 HB2 HIS 867 HB2 HIS 57 13.856 6.804 9.777 384 HB3 HIS 867 HB3 HIS 57 15.142 5.729 10.215 385 HD1 HIS 867 HD1 HIS 57 14.046 3.561 9.616 386 HD2 HIS 867 HD2 HIS 57 11.587 6.291 11.605 387 HE1 HIS 867 HE1 HIS 57 11.655 3.330 8.750 388 H GLN 868 H GLN 58 13.645 8.652 10.009 389 HA GLN 868 HA GLN 58 11.914 10.228 11.711 390 HB2 GLN 868 HB2 GLN 58 12.959 12.386 11.353 391 HB3 GLN 868 HB3 GLN 58 14.034 11.307 12.212 392 HG2 GLN 868 HG2 GLN 58 14.205 11.936 9.231 393 HG3 GLN 868 HG3 GLN 58 15.160 12.720 10.478 394 HE21 GLN 868 HE21 GLN 58 15.678 10.638 8.109 395 HE22 GLN 868 HE22 GLN 58 16.712 9.455 8.917 396 H LEU 869 H LEU 59 10.759 11.948 10.565 397 HA LEU 869 HA LEU 59 9.830 10.870 7.962 398 HB2 LEU 869 HB2 LEU 59 8.441 12.844 9.804 399 HB3 LEU 869 HB3 LEU 59 7.744 11.934 8.464 400 HG LEU 869 HG LEU 59 6.830 11.125 10.413 401 HD11 LEU 869 HD11 LEU 59 7.304 9.427 8.802 402 HD12 LEU 869 HD12 LEU 59 7.429 8.757 10.439 403 HD13 LEU 869 HD13 LEU 59 8.919 9.120 9.563 404 HD21 LEU 869 HD21 LEU 59 8.612 11.868 12.046 405 HD22 LEU 869 HD22 LEU 59 9.469 10.345 11.675 406 HD23 LEU 869 HD23 LEU 59 7.846 10.310 12.363 407 H GLU 870 H GLU 60 9.172 12.218 6.271 408 HA GLU 870 HA GLU 60 10.501 14.876 6.085 409 HB2 GLU 870 HB2 GLU 60 11.163 13.018 4.495 410 HB3 GLU 870 HB3 GLU 60 9.550 13.027 3.873 411 HG2 GLU 870 HG2 GLU 60 11.185 14.204 2.488 412 HG3 GLU 870 HG3 GLU 60 9.803 15.219 2.959 413 HA PRO 871 HA PRO 61 6.174 16.303 5.831 414 HB2 PRO 871 HB2 PRO 61 6.597 18.990 5.976 415 HB3 PRO 871 HB3 PRO 61 6.700 17.926 7.401 416 HG2 PRO 871 HG2 PRO 61 8.952 19.044 5.727 417 HG3 PRO 871 HG3 PRO 61 8.861 18.870 7.504 418 HD2 PRO 871 HD2 PRO 61 10.153 17.095 5.788 419 HD3 PRO 871 HD3 PRO 61 9.545 16.651 7.400 420 H ILE 872 H ILE 62 4.975 16.784 3.987 421 HA ILE 872 HA ILE 62 6.450 17.855 1.617 422 HB ILE 872 HB ILE 62 4.144 16.005 1.356 423 HG12 ILE 872 HG12 ILE 62 5.746 14.709 2.770 424 HG13 ILE 872 HG13 ILE 62 5.462 14.000 1.210 425 HG21 ILE 872 HG21 ILE 62 4.942 17.361 -0.567 426 HG22 ILE 872 HG22 ILE 62 5.110 15.624 -0.863 427 HG23 ILE 872 HG23 ILE 62 6.526 16.614 -0.451 428 HD11 ILE 872 HD11 ILE 62 7.861 15.760 1.753 429 HD12 ILE 872 HD12 ILE 62 7.584 14.718 0.355 430 HD13 ILE 872 HD13 ILE 62 7.856 13.988 1.952 431 H TYR 873 H TYR 63 5.799 19.743 1.183 432 HA TYR 873 HA TYR 63 3.261 20.786 2.181 433 HB2 TYR 873 HB2 TYR 63 5.753 22.176 1.132 434 HB3 TYR 873 HB3 TYR 63 4.334 22.986 1.767 435 HD1 TYR 873 HD1 TYR 63 3.544 22.321 4.181 436 HD2 TYR 873 HD2 TYR 63 7.519 21.629 2.655 437 HE1 TYR 873 HE1 TYR 63 4.407 22.203 6.495 438 HE2 TYR 873 HE2 TYR 63 8.386 21.514 4.981 439 HH TYR 873 HH TYR 63 7.897 21.792 7.233 440 H ARG 874 H ARG 64 3.665 19.122 -0.295 441 HA ARG 874 HA ARG 64 1.797 20.497 -2.046 442 HB2 ARG 874 HB2 ARG 64 3.246 20.320 -4.052 443 HB3 ARG 874 HB3 ARG 64 3.832 21.488 -2.863 444 HG2 ARG 874 HG2 ARG 64 5.597 19.994 -2.135 445 HG3 ARG 874 HG3 ARG 64 4.934 18.655 -3.090 446 HD2 ARG 874 HD2 ARG 64 5.317 19.881 -5.158 447 HD3 ARG 874 HD3 ARG 64 5.943 21.272 -4.268 448 HE ARG 874 HE ARG 64 7.266 18.660 -4.747 449 HH11 ARG 874 HH11 ARG 64 9.270 21.547 -2.847 450 HH12 ARG 874 HH12 ARG 64 7.571 21.771 -3.139 451 HH21 ARG 874 HH21 ARG 64 9.432 18.462 -4.356 452 HH22 ARG 874 HH22 ARG 64 10.294 19.722 -3.523 453 H1 ALA 1 H1 ALA 65 0.661 4.853 5.747 454 H2 ALA 1 H2 ALA 65 -0.503 5.676 4.925 455 H3 ALA 1 H3 ALA 65 1.058 5.752 4.424 456 HA ALA 1 HA ALA 65 1.085 3.455 3.881 457 HB1 ALA 1 HB1 ALA 65 -1.858 3.507 4.655 458 HB2 ALA 1 HB2 ALA 65 -0.548 2.638 5.498 459 HB3 ALA 1 HB3 ALA 65 -1.002 2.165 3.862 460 H ARG 2 H ARG 66 1.439 3.679 1.827 461 HA ARG 2 HA ARG 66 0.024 5.266 -0.033 462 HB2 ARG 2 HB2 ARG 66 1.267 4.221 -1.726 463 HB3 ARG 2 HB3 ARG 66 2.306 4.361 -0.330 464 HG2 ARG 2 HG2 ARG 66 1.079 1.873 -1.552 465 HG3 ARG 2 HG3 ARG 66 2.773 2.257 -1.361 466 HD2 ARG 2 HD2 ARG 66 2.643 1.907 1.060 467 HD3 ARG 2 HD3 ARG 66 0.914 1.619 0.996 468 HE ARG 2 HE ARG 66 3.029 -0.252 0.369 469 HH11 ARG 2 HH11 ARG 66 -0.380 0.394 -0.326 470 HH12 ARG 2 HH12 ARG 66 -0.688 -1.296 -0.638 471 HH21 ARG 2 HH21 ARG 66 2.572 -2.284 0.002 472 HH22 ARG 2 HH22 ARG 66 0.963 -2.809 -0.456 473 H THR 3 H THR 67 -1.983 5.190 -0.587 474 HA THR 3 HA THR 67 -3.304 2.626 -1.417 475 HB THR 3 HB THR 67 -5.436 3.870 -1.175 476 HG1 THR 3 HG1 THR 67 -5.424 5.874 -0.209 477 HG21 THR 3 HG21 THR 67 -5.548 3.911 1.254 478 HG22 THR 3 HG22 THR 67 -3.778 3.992 1.387 479 HG23 THR 3 HG23 THR 67 -4.563 2.527 0.749 480 HH31 ALY 4 H26 ALY 68 0.636 12.191 -7.999 481 HH32 ALY 4 H27 ALY 68 -0.658 12.040 -6.796 482 HH33 ALY 4 H28 ALY 68 -0.397 10.747 -7.997 483 HZ ALY 4 HZ1 ALY 68 1.274 9.439 -4.994 484 HE3 ALY 4 HE3 ALY 68 -1.012 9.138 -4.449 485 HE2 ALY 4 HE2 ALY 68 -1.495 10.094 -5.843 486 HD3 ALY 4 HD3 ALY 68 -2.008 7.813 -6.369 487 HD2 ALY 4 HD2 ALY 68 -0.619 8.280 -7.341 488 HG3 ALY 4 HG3 ALY 68 -0.138 6.099 -6.567 489 HG2 ALY 4 HG2 ALY 68 0.886 7.173 -5.646 490 HB3 ALY 4 HB3 ALY 68 0.061 5.506 -4.161 491 HB2 ALY 4 HB2 ALY 68 -0.690 7.022 -3.698 492 HCA ALY 4 HA ALY 68 -2.802 6.316 -4.823 493 H ALY 4 H ALY 68 -1.737 5.355 -2.506 494 H GLN 5 H GLN 69 -3.737 5.303 -6.499 495 HA GLN 5 HA GLN 69 -2.972 2.654 -7.457 496 HB2 GLN 5 HB2 GLN 69 -4.861 4.763 -8.587 497 HB3 GLN 5 HB3 GLN 69 -4.647 3.129 -9.236 498 HG2 GLN 5 HG2 GLN 69 -5.355 2.172 -7.034 499 HG3 GLN 5 HG3 GLN 69 -5.682 3.804 -6.444 500 HE21 GLN 5 HE21 GLN 69 -8.950 2.510 -7.537 501 HE22 GLN 5 HE22 GLN 69 -7.795 2.194 -6.252 502 H THR 6 H THR 70 -2.268 2.190 -9.646 503 HA THR 6 HA THR 70 -0.975 4.287 -11.227 504 HB THR 6 HB THR 70 0.732 3.727 -9.504 505 HG1 THR 6 HG1 THR 70 2.367 3.562 -11.022 506 HG21 THR 6 HG21 THR 70 0.875 0.999 -10.873 507 HG22 THR 6 HG22 THR 70 0.268 1.293 -9.228 508 HG23 THR 6 HG23 THR 70 1.965 1.625 -9.618 509 H ALA 7 H ALA 71 -0.040 3.424 -13.233 510 HA ALA 7 HA ALA 71 -0.411 2.569 -15.270 511 HB1 ALA 7 HB1 ALA 71 0.696 0.635 -14.168 512 HB2 ALA 7 HB2 ALA 71 -0.347 0.165 -15.514 513 HB3 ALA 7 HB3 ALA 71 -0.906 -0.071 -13.849 514 H ARG 8 H ARG 72 -1.958 1.045 -16.652 515 HA ARG 8 HA ARG 72 -4.807 1.418 -16.033 516 HB2 ARG 8 HB2 ARG 72 -4.135 3.585 -16.992 517 HB3 ARG 8 HB3 ARG 72 -3.439 2.773 -18.389 518 HG2 ARG 8 HG2 ARG 72 -5.539 3.790 -18.970 519 HG3 ARG 8 HG3 ARG 72 -5.681 2.047 -19.125 520 HD2 ARG 8 HD2 ARG 72 -6.645 3.581 -16.675 521 HD3 ARG 8 HD3 ARG 72 -7.655 3.299 -18.109 522 HE ARG 8 HE ARG 72 -6.579 0.807 -17.250 523 HH11 ARG 8 HH11 ARG 72 -9.024 3.085 -16.164 524 HH12 ARG 8 HH12 ARG 72 -9.927 1.838 -15.337 525 HH21 ARG 8 HH21 ARG 72 -7.734 -0.681 -16.211 526 HH22 ARG 8 HH22 ARG 72 -9.199 -0.262 -15.364 Start of MODEL 13 1 H1 GLY 811 H1 GLY 1 -3.412 31.636 0.250 2 H2 GLY 811 H2 GLY 1 -5.043 31.742 0.361 3 H3 GLY 811 H3 GLY 1 -4.288 32.207 -1.015 4 HA2 GLY 811 HA2 GLY 1 -5.334 30.069 -1.369 5 HA3 GLY 811 HA3 GLY 1 -3.571 29.944 -1.478 6 HA PRO 812 HA PRO 2 -5.442 27.027 1.806 7 HB2 PRO 812 HB2 PRO 2 -5.351 24.617 0.520 8 HB3 PRO 812 HB3 PRO 2 -6.712 25.768 0.333 9 HG2 PRO 812 HG2 PRO 2 -4.303 25.428 -1.492 10 HG3 PRO 812 HG3 PRO 2 -6.038 25.455 -1.945 11 HD2 PRO 812 HD2 PRO 2 -4.495 27.679 -2.127 12 HD3 PRO 812 HD3 PRO 2 -6.197 27.781 -1.588 13 H LEU 813 H LEU 3 -4.262 25.612 3.134 14 HA LEU 813 HA LEU 3 -1.618 24.629 2.330 15 HB2 LEU 813 HB2 LEU 3 -1.407 27.131 3.150 16 HB3 LEU 813 HB3 LEU 3 -1.715 26.456 4.745 17 HG LEU 813 HG LEU 3 0.297 24.887 4.290 18 HD11 LEU 813 HD11 LEU 3 1.955 25.721 2.683 19 HD12 LEU 813 HD12 LEU 3 0.848 27.012 2.165 20 HD13 LEU 813 HD13 LEU 3 0.455 25.318 1.829 21 HD21 LEU 813 HD21 LEU 3 1.913 26.616 4.961 22 HD22 LEU 813 HD22 LEU 3 0.389 26.785 5.847 23 HD23 LEU 813 HD23 LEU 3 0.756 27.891 4.506 24 H GLY 814 H GLY 4 -3.891 25.043 5.040 25 HA2 GLY 814 HA2 GLY 4 -2.902 22.572 6.368 26 HA3 GLY 814 HA3 GLY 4 -3.897 23.835 7.085 27 H SER 815 H SER 5 -4.923 22.682 3.990 28 HA SER 815 HA SER 5 -7.112 21.057 5.132 29 HB2 SER 815 HB2 SER 5 -8.611 22.285 3.565 30 HB3 SER 815 HB3 SER 5 -7.863 23.333 4.784 31 HG SER 815 HG SER 5 -7.759 24.214 2.635 32 H VAL 816 H VAL 6 -4.566 20.506 3.437 33 HA VAL 816 HA VAL 6 -5.251 19.852 0.759 34 HB VAL 816 HB VAL 6 -3.007 19.034 2.637 35 HG11 VAL 816 HG11 VAL 6 -2.873 19.164 -0.356 36 HG12 VAL 816 HG12 VAL 6 -3.033 17.684 0.620 37 HG13 VAL 816 HG13 VAL 6 -1.594 18.686 0.818 38 HG21 VAL 816 HG21 VAL 6 -3.293 21.581 2.366 39 HG22 VAL 816 HG22 VAL 6 -2.909 21.342 0.649 40 HG23 VAL 816 HG23 VAL 6 -1.746 20.913 1.936 41 H GLN 817 H GLN 7 -6.009 18.056 -0.179 42 HA GLN 817 HA GLN 7 -6.486 15.647 1.492 43 HB2 GLN 817 HB2 GLN 7 -7.812 14.931 -0.439 44 HB3 GLN 817 HB3 GLN 7 -8.388 16.406 0.329 45 HG2 GLN 817 HG2 GLN 7 -8.422 17.495 -1.588 46 HG3 GLN 817 HG3 GLN 7 -6.709 17.260 -1.807 47 HE21 GLN 817 HE21 GLN 7 -6.013 15.149 -2.761 48 HE22 GLN 817 HE22 GLN 7 -7.036 14.494 -4.059 49 H HIS 818 H HIS 8 -5.127 13.930 1.478 50 HA HIS 818 HA HIS 8 -3.279 13.597 -0.827 51 HB2 HIS 818 HB2 HIS 8 -2.933 12.159 1.776 52 HB3 HIS 818 HB3 HIS 8 -1.753 12.674 0.584 53 HD2 HIS 818 HD2 HIS 8 -1.564 15.617 0.517 54 HE1 HIS 818 HE1 HIS 8 -2.711 15.982 4.582 55 HE2 HIS 818 HE2 HIS 8 -1.714 17.219 2.569 56 H VAL 819 H VAL 9 -5.485 12.785 -1.821 57 HA VAL 819 HA VAL 9 -6.335 10.109 -1.345 58 HB VAL 819 HB VAL 9 -6.431 11.741 -3.849 59 HG11 VAL 819 HG11 VAL 9 -7.781 9.075 -3.231 60 HG12 VAL 819 HG12 VAL 9 -6.560 9.366 -4.498 61 HG13 VAL 819 HG13 VAL 9 -8.147 10.120 -4.617 62 HG21 VAL 819 HG21 VAL 9 -8.833 11.930 -3.198 63 HG22 VAL 819 HG22 VAL 9 -7.791 12.591 -1.936 64 HG23 VAL 819 HG23 VAL 9 -8.507 10.981 -1.732 65 H GLY 820 H GLY 10 -5.502 8.196 -1.684 66 HA2 GLY 820 HA2 GLY 10 -4.054 6.586 -2.586 67 HA3 GLY 820 HA3 GLY 10 -3.033 7.856 -3.276 68 H PHE 821 H PHE 11 -3.539 8.833 -0.109 69 HA PHE 821 HA PHE 11 -1.319 7.155 1.014 70 HB2 PHE 821 HB2 PHE 11 -1.628 10.147 1.295 71 HB3 PHE 821 HB3 PHE 11 -0.319 9.127 1.876 72 HD1 PHE 821 HD1 PHE 11 -1.781 10.830 -1.016 73 HD2 PHE 821 HD2 PHE 11 1.551 8.602 0.520 74 HE1 PHE 821 HE1 PHE 11 -0.415 11.559 -2.959 75 HE2 PHE 821 HE2 PHE 11 2.893 9.222 -1.490 76 HZ PHE 821 HZ PHE 11 1.929 10.782 -3.168 77 H LYS 822 H LYS 12 -2.713 5.941 2.213 78 HA LYS 822 HA LYS 12 -4.423 7.128 4.360 79 HB2 LYS 822 HB2 LYS 12 -5.420 5.319 3.313 80 HB3 LYS 822 HB3 LYS 12 -3.964 4.459 3.110 81 HG2 LYS 822 HG2 LYS 12 -4.572 4.602 6.018 82 HG3 LYS 822 HG3 LYS 12 -5.983 4.144 5.122 83 HD2 LYS 822 HD2 LYS 12 -4.512 2.349 3.969 84 HD3 LYS 822 HD3 LYS 12 -3.321 2.745 5.225 85 HE2 LYS 822 HE2 LYS 12 -4.565 0.846 5.978 86 HE3 LYS 822 HE3 LYS 12 -5.021 2.234 6.976 87 HZ1 LYS 822 HZ1 LYS 12 -7.081 2.436 5.571 88 HZ2 LYS 822 HZ2 LYS 12 -6.990 0.981 6.315 89 HZ3 LYS 822 HZ3 LYS 12 -6.635 1.101 4.730 90 H CYS 823 H CYS 13 -3.772 7.030 6.540 91 HA CYS 823 HA CYS 13 -0.960 7.125 7.084 92 HB2 CYS 823 HB2 CYS 13 -2.258 8.674 8.195 93 HB3 CYS 823 HB3 CYS 13 -3.547 7.535 8.504 94 H ASP 824 H ASP 14 0.141 6.010 8.703 95 HA ASP 824 HA ASP 14 -0.353 3.071 8.906 96 HB2 ASP 824 HB2 ASP 14 2.120 4.798 9.286 97 HB3 ASP 824 HB3 ASP 14 2.037 3.119 9.783 98 H ASN 825 H ASN 15 0.164 5.958 10.973 99 HA ASN 825 HA ASN 15 0.309 4.523 13.483 100 HB2 ASN 825 HB2 ASN 15 1.099 6.814 13.278 101 HB3 ASN 825 HB3 ASN 15 -0.539 7.368 12.872 102 HD21 ASN 825 HD21 ASN 15 -2.080 7.559 14.564 103 HD22 ASN 825 HD22 ASN 15 -1.541 7.529 16.243 104 H CYS 826 H CYS 16 -2.429 6.411 12.102 105 HA CYS 826 HA CYS 16 -4.306 5.238 13.967 106 HB2 CYS 826 HB2 CYS 16 -4.943 7.108 11.681 107 HB3 CYS 826 HB3 CYS 16 -5.771 6.950 13.215 108 H GLY 827 H GLY 17 -3.486 4.924 10.575 109 HA2 GLY 827 HA2 GLY 17 -4.065 3.346 9.088 110 HA3 GLY 827 HA3 GLY 17 -5.270 2.661 10.148 111 H ILE 828 H ILE 18 -5.499 6.109 9.954 112 HA ILE 828 HA ILE 18 -8.057 6.058 8.766 113 HB ILE 828 HB ILE 18 -7.476 7.776 10.292 114 HG12 ILE 828 HG12 ILE 18 -7.662 9.102 7.541 115 HG13 ILE 828 HG13 ILE 18 -9.025 8.341 8.279 116 HG21 ILE 828 HG21 ILE 18 -5.384 8.827 8.349 117 HG22 ILE 828 HG22 ILE 18 -5.025 7.954 9.836 118 HG23 ILE 828 HG23 ILE 18 -5.841 9.494 9.931 119 HD11 ILE 828 HD11 ILE 18 -7.581 10.789 9.344 120 HD12 ILE 828 HD12 ILE 18 -8.857 9.915 10.231 121 HD13 ILE 828 HD13 ILE 18 -9.211 10.688 8.672 122 H GLU 829 H GLU 19 -8.716 6.513 6.784 123 HA GLU 829 HA GLU 19 -7.139 5.754 4.521 124 HB2 GLU 829 HB2 GLU 19 -9.631 7.242 4.127 125 HB3 GLU 829 HB3 GLU 19 -9.075 5.776 3.354 126 HG2 GLU 829 HG2 GLU 19 -10.458 5.936 6.019 127 HG3 GLU 829 HG3 GLU 19 -11.052 5.221 4.531 128 HA PRO 830 HA PRO 20 -5.330 8.962 2.369 129 HB2 PRO 830 HB2 PRO 20 -7.972 10.074 1.403 130 HB3 PRO 830 HB3 PRO 20 -6.346 10.177 0.655 131 HG2 PRO 830 HG2 PRO 20 -8.027 8.230 -0.069 132 HG3 PRO 830 HG3 PRO 20 -6.293 7.862 0.211 133 HD2 PRO 830 HD2 PRO 20 -8.675 7.369 1.969 134 HD3 PRO 830 HD3 PRO 20 -7.165 6.413 1.845 135 H ILE 831 H ILE 21 -4.323 10.211 3.686 136 HA ILE 831 HA ILE 21 -5.364 11.572 5.872 137 HB ILE 831 HB ILE 21 -2.737 11.869 4.384 138 HG12 ILE 831 HG12 ILE 21 -3.127 10.499 7.067 139 HG13 ILE 831 HG13 ILE 21 -3.467 9.626 5.597 140 HG21 ILE 831 HG21 ILE 21 -2.989 13.908 5.796 141 HG22 ILE 831 HG22 ILE 21 -1.748 12.860 6.414 142 HG23 ILE 831 HG23 ILE 21 -3.343 12.886 7.199 143 HD11 ILE 831 HD11 ILE 21 -1.197 9.169 6.258 144 HD12 ILE 831 HD12 ILE 21 -0.789 10.880 6.265 145 HD13 ILE 831 HD13 ILE 21 -1.203 10.075 4.735 146 H GLN 832 H GLN 22 -5.502 13.737 6.489 147 HA GLN 832 HA GLN 22 -5.858 15.651 4.223 148 HB2 GLN 832 HB2 GLN 22 -7.590 15.461 6.725 149 HB3 GLN 832 HB3 GLN 22 -7.838 16.541 5.362 150 HG2 GLN 832 HG2 GLN 22 -8.031 13.489 5.184 151 HG3 GLN 832 HG3 GLN 22 -9.372 14.548 5.473 152 HE21 GLN 832 HE21 GLN 22 -8.172 12.766 3.047 153 HE22 GLN 832 HE22 GLN 22 -8.741 13.769 1.709 154 H GLY 833 H GLY 23 -5.071 17.610 4.411 155 HA2 GLY 833 HA2 GLY 23 -4.836 19.663 5.765 156 HA3 GLY 833 HA3 GLY 23 -4.128 18.712 7.023 157 H VAL 834 H VAL 24 -2.195 17.434 6.377 158 HA VAL 834 HA VAL 24 -0.418 18.481 4.341 159 HB VAL 834 HB VAL 24 -0.137 19.858 6.386 160 HG11 VAL 834 HG11 VAL 24 -0.739 18.176 8.026 161 HG12 VAL 834 HG12 VAL 24 0.767 19.034 8.413 162 HG13 VAL 834 HG13 VAL 24 0.841 17.379 7.760 163 HG21 VAL 834 HG21 VAL 24 1.844 19.561 4.950 164 HG22 VAL 834 HG22 VAL 24 2.261 18.057 5.820 165 HG23 VAL 834 HG23 VAL 24 2.327 19.620 6.647 166 H ARG 835 H ARG 25 0.887 16.706 3.580 167 HA ARG 835 HA ARG 25 0.253 14.083 4.822 168 HB2 ARG 835 HB2 ARG 25 0.362 14.394 2.295 169 HB3 ARG 835 HB3 ARG 25 2.112 14.524 2.473 170 HG2 ARG 835 HG2 ARG 25 2.290 12.279 3.326 171 HG3 ARG 835 HG3 ARG 25 0.533 12.151 3.504 172 HD2 ARG 835 HD2 ARG 25 1.193 10.917 1.582 173 HD3 ARG 835 HD3 ARG 25 0.275 12.306 1.049 174 HE ARG 835 HE ARG 25 2.152 13.189 -0.015 175 HH11 ARG 835 HH11 ARG 25 3.113 10.248 1.719 176 HH12 ARG 835 HH12 ARG 25 4.635 10.187 0.858 177 HH21 ARG 835 HH21 ARG 25 5.153 11.584 -0.658 178 HH22 ARG 835 HH22 ARG 25 4.128 12.920 -1.098 179 H TRP 836 H TRP 26 2.021 12.665 5.541 180 HA TRP 836 HA TRP 26 4.590 14.078 6.084 181 HB2 TRP 836 HB2 TRP 26 3.178 12.399 8.157 182 HB3 TRP 836 HB3 TRP 26 4.853 12.785 8.161 183 HD1 TRP 836 HD1 TRP 26 1.565 14.587 8.716 184 HE1 TRP 836 HE1 TRP 26 2.084 16.888 9.826 185 HE3 TRP 836 HE3 TRP 26 6.578 14.748 7.939 186 HZ2 TRP 836 HZ2 TRP 26 4.432 18.333 10.631 187 HZ3 TRP 836 HZ3 TRP 26 7.988 16.476 9.005 188 HH2 TRP 836 HH2 TRP 26 6.933 18.258 10.383 189 H HIS 837 H HIS 27 5.594 13.290 4.500 190 HA HIS 837 HA HIS 27 5.432 10.449 3.621 191 HB2 HIS 837 HB2 HIS 27 5.484 12.357 1.980 192 HB3 HIS 837 HB3 HIS 27 7.002 12.893 2.648 193 HD2 HIS 837 HD2 HIS 27 9.215 11.775 1.803 194 HE1 HIS 837 HE1 HIS 27 7.507 8.721 -0.639 195 HE2 HIS 837 HE2 HIS 27 9.681 9.870 0.037 196 H CYS 838 H CYS 28 6.630 9.002 4.684 197 HA CYS 838 HA CYS 28 8.846 9.701 6.294 198 HB2 CYS 838 HB2 CYS 28 7.674 7.189 5.147 199 HB3 CYS 838 HB3 CYS 28 9.333 7.143 5.766 200 H GLN 839 H GLN 29 10.994 10.160 5.846 201 HA GLN 839 HA GLN 29 11.713 10.399 3.055 202 HB2 GLN 839 HB2 GLN 29 13.348 10.810 5.580 203 HB3 GLN 839 HB3 GLN 29 13.920 11.116 3.951 204 HG2 GLN 839 HG2 GLN 29 11.916 12.699 3.653 205 HG3 GLN 839 HG3 GLN 29 11.735 12.643 5.408 206 HE21 GLN 839 HE21 GLN 29 12.237 15.188 4.392 207 HE22 GLN 839 HE22 GLN 29 13.912 15.580 4.601 208 H ASP 840 H ASP 30 12.650 8.098 5.626 209 HA ASP 840 HA ASP 30 14.666 6.861 3.821 210 HB2 ASP 840 HB2 ASP 30 15.284 7.680 6.074 211 HB3 ASP 840 HB3 ASP 30 14.135 6.559 6.771 212 H CYS 841 H CYS 31 11.601 6.045 5.474 213 HA CYS 841 HA CYS 31 11.755 3.242 5.024 214 HB2 CYS 841 HB2 CYS 31 9.240 4.932 5.188 215 HB3 CYS 841 HB3 CYS 31 9.361 3.203 5.309 216 HA PRO 842 HA PRO 32 11.848 3.211 0.704 217 HB2 PRO 842 HB2 PRO 32 11.259 0.646 -0.007 218 HB3 PRO 842 HB3 PRO 32 12.673 1.075 0.999 219 HG2 PRO 842 HG2 PRO 32 9.945 0.132 1.945 220 HG3 PRO 842 HG3 PRO 32 11.553 -0.513 2.402 221 HD2 PRO 842 HD2 PRO 32 10.213 1.337 3.922 222 HD3 PRO 842 HD3 PRO 32 11.989 1.320 3.797 223 HA PRO 843 HA PRO 33 7.973 4.164 -1.319 224 HB2 PRO 843 HB2 PRO 33 9.179 2.677 -3.669 225 HB3 PRO 843 HB3 PRO 33 8.302 4.237 -3.660 226 HG2 PRO 843 HG2 PRO 33 10.992 4.240 -3.758 227 HG3 PRO 843 HG3 PRO 33 10.175 5.340 -2.596 228 HD2 PRO 843 HD2 PRO 33 11.433 2.634 -2.057 229 HD3 PRO 843 HD3 PRO 33 11.579 4.167 -1.143 230 H GLU 844 H GLU 34 9.108 0.810 -1.628 231 HA GLU 844 HA GLU 34 6.697 -0.466 -2.381 232 HB2 GLU 844 HB2 GLU 34 8.918 -1.496 -2.381 233 HB3 GLU 844 HB3 GLU 34 8.976 -1.453 -0.613 234 HG2 GLU 844 HG2 GLU 34 7.202 -3.083 -0.438 235 HG3 GLU 844 HG3 GLU 34 6.793 -2.913 -2.150 236 H MET 845 H MET 35 7.752 0.682 0.776 237 HA MET 845 HA MET 35 5.293 -0.324 2.129 238 HB2 MET 845 HB2 MET 35 7.726 1.141 3.192 239 HB3 MET 845 HB3 MET 35 6.329 0.648 4.160 240 HG2 MET 845 HG2 MET 35 8.089 -1.271 2.585 241 HG3 MET 845 HG3 MET 35 8.293 -0.895 4.292 242 HE1 MET 845 HE1 MET 35 5.324 -2.643 6.046 243 HE2 MET 845 HE2 MET 35 5.470 -0.914 5.661 244 HE3 MET 845 HE3 MET 35 6.892 -1.825 6.230 245 H SER 846 H SER 36 6.947 2.730 1.388 246 HA SER 846 HA SER 36 6.446 4.911 1.631 247 HB2 SER 846 HB2 SER 36 5.400 4.293 -0.534 248 HB3 SER 846 HB3 SER 36 3.836 4.161 0.300 249 HG SER 846 HG SER 36 4.257 6.274 -0.654 250 H LEU 847 H LEU 37 6.434 4.972 3.922 251 HA LEU 847 HA LEU 37 3.914 4.527 5.344 252 HB2 LEU 847 HB2 LEU 37 6.724 5.153 6.232 253 HB3 LEU 847 HB3 LEU 37 5.382 5.549 7.272 254 HG LEU 847 HG LEU 37 4.671 2.974 6.775 255 HD11 LEU 847 HD11 LEU 37 7.685 2.845 6.674 256 HD12 LEU 847 HD12 LEU 37 6.672 2.671 5.216 257 HD13 LEU 847 HD13 LEU 37 6.524 1.512 6.556 258 HD21 LEU 847 HD21 LEU 37 6.796 3.949 8.609 259 HD22 LEU 847 HD22 LEU 37 5.952 2.381 8.792 260 HD23 LEU 847 HD23 LEU 37 5.046 3.900 8.950 261 H ASP 848 H ASP 38 2.707 6.078 6.492 262 HA ASP 848 HA ASP 38 3.198 8.893 5.840 263 HB2 ASP 848 HB2 ASP 38 0.580 7.572 5.126 264 HB3 ASP 848 HB3 ASP 38 0.941 9.299 5.117 265 H PHE 849 H PHE 39 2.311 10.348 7.210 266 HA PHE 849 HA PHE 39 0.543 9.384 9.394 267 HB2 PHE 849 HB2 PHE 39 3.026 11.070 9.999 268 HB3 PHE 849 HB3 PHE 39 1.837 10.477 11.087 269 HD1 PHE 849 HD1 PHE 39 2.021 8.378 12.082 270 HD2 PHE 849 HD2 PHE 39 4.524 9.289 8.675 271 HE1 PHE 849 HE1 PHE 39 3.267 6.250 12.418 272 HE2 PHE 849 HE2 PHE 39 5.728 7.223 9.027 273 HZ PHE 849 HZ PHE 39 5.156 5.657 10.870 274 H CYS 850 H CYS 40 -0.906 10.840 10.236 275 HA CYS 850 HA CYS 40 -1.689 13.086 8.688 276 HB2 CYS 850 HB2 CYS 40 -2.462 12.342 11.523 277 HB3 CYS 850 HB3 CYS 40 -3.431 13.268 10.377 278 H ASP 851 H ASP 41 -2.203 15.231 9.703 279 HA ASP 851 HA ASP 41 0.002 16.717 10.598 280 HB2 ASP 851 HB2 ASP 41 -1.509 18.478 10.933 281 HB3 ASP 851 HB3 ASP 41 -2.137 17.572 9.574 282 H SER 852 H SER 42 -2.365 14.906 12.501 283 HA SER 852 HA SER 42 -1.417 15.945 15.056 284 HB2 SER 852 HB2 SER 42 -3.810 15.555 14.647 285 HB3 SER 852 HB3 SER 42 -3.485 13.828 14.395 286 HG SER 852 HG SER 42 -3.249 15.353 16.793 287 H CYS 853 H CYS 43 -1.346 12.764 13.343 288 HA CYS 853 HA CYS 43 -0.107 11.504 15.608 289 HB2 CYS 853 HB2 CYS 43 -0.663 9.532 14.617 290 HB3 CYS 853 HB3 CYS 43 -1.966 10.633 14.158 291 H SER 854 H SER 44 1.090 12.871 12.644 292 HA SER 854 HA SER 44 3.634 11.541 12.579 293 HB2 SER 854 HB2 SER 44 2.766 13.028 10.781 294 HB3 SER 854 HB3 SER 44 3.061 14.419 11.811 295 HG SER 854 HG SER 44 5.291 13.876 11.807 296 H ASP 855 H ASP 45 2.324 13.338 15.106 297 HA ASP 855 HA ASP 45 4.784 14.462 16.175 298 HB2 ASP 855 HB2 ASP 45 2.459 15.291 16.721 299 HB3 ASP 855 HB3 ASP 45 2.187 13.775 17.590 300 H CYS 856 H CYS 46 3.655 11.289 15.713 301 HA CYS 856 HA CYS 46 4.839 10.183 18.167 302 HB2 CYS 856 HB2 CYS 46 2.613 9.387 17.531 303 HB3 CYS 856 HB3 CYS 46 3.256 8.839 15.960 304 HG CYS 856 HG CYS 46 2.859 6.764 17.504 305 H LEU 857 H LEU 47 6.629 8.999 18.175 306 HA LEU 857 HA LEU 47 8.274 8.859 15.710 307 HB2 LEU 857 HB2 LEU 47 9.241 9.964 17.629 308 HB3 LEU 857 HB3 LEU 47 9.048 8.524 18.628 309 HG LEU 857 HG LEU 47 10.741 7.329 17.392 310 HD11 LEU 857 HD11 LEU 47 11.902 8.468 15.417 311 HD12 LEU 857 HD12 LEU 47 10.556 9.607 15.375 312 HD13 LEU 857 HD13 LEU 47 10.263 7.865 15.101 313 HD21 LEU 857 HD21 LEU 47 11.539 9.038 19.002 314 HD22 LEU 857 HD22 LEU 47 11.624 10.235 17.688 315 HD23 LEU 857 HD23 LEU 47 12.685 8.812 17.673 316 H HIS 858 H HIS 48 6.913 7.297 14.802 317 HA HIS 858 HA HIS 48 6.508 4.741 16.181 318 HB2 HIS 858 HB2 HIS 48 4.626 5.981 15.093 319 HB3 HIS 858 HB3 HIS 48 5.427 5.763 13.534 320 HD2 HIS 858 HD2 HIS 48 4.318 3.829 12.194 321 HE1 HIS 858 HE1 HIS 48 3.235 1.230 15.392 322 HE2 HIS 858 HE2 HIS 48 3.183 1.553 12.872 323 H GLU 859 H GLU 49 6.785 2.681 15.085 324 HA GLU 859 HA GLU 49 8.765 2.548 12.927 325 HB2 GLU 859 HB2 GLU 49 9.236 0.986 15.519 326 HB3 GLU 859 HB3 GLU 49 10.346 1.227 14.221 327 HG2 GLU 859 HG2 GLU 49 10.516 3.666 14.874 328 HG3 GLU 859 HG3 GLU 49 9.451 3.299 16.224 329 H THR 860 H THR 50 9.034 0.451 11.964 330 HA THR 860 HA THR 50 6.978 -1.599 12.716 331 HB THR 860 HB THR 50 6.318 -1.948 10.465 332 HG1 THR 860 HG1 THR 50 7.181 -0.701 8.775 333 HG21 THR 860 HG21 THR 50 6.315 1.062 10.905 334 HG22 THR 860 HG22 THR 50 5.138 -0.080 11.573 335 HG23 THR 860 HG23 THR 50 5.253 0.142 9.814 336 H ASP 861 H ASP 51 7.777 -3.208 10.413 337 HA ASP 861 HA ASP 51 10.118 -4.584 11.452 338 HB2 ASP 861 HB2 ASP 51 8.115 -5.698 10.361 339 HB3 ASP 861 HB3 ASP 51 8.602 -4.960 8.842 340 H ILE 862 H ILE 52 9.435 -2.113 9.146 341 HA ILE 862 HA ILE 52 12.197 -2.164 8.101 342 HB ILE 862 HB ILE 52 9.615 -1.380 6.771 343 HG12 ILE 862 HG12 ILE 52 11.878 -3.386 6.281 344 HG13 ILE 862 HG13 ILE 52 10.254 -3.773 6.842 345 HG21 ILE 862 HG21 ILE 52 11.236 -0.685 4.893 346 HG22 ILE 862 HG22 ILE 52 12.498 -0.659 6.154 347 HG23 ILE 862 HG23 ILE 52 11.098 0.428 6.256 348 HD11 ILE 862 HD11 ILE 52 10.388 -4.337 4.548 349 HD12 ILE 862 HD12 ILE 52 10.966 -2.716 4.111 350 HD13 ILE 862 HD13 ILE 52 9.307 -2.942 4.751 351 H HIS 863 H HIS 53 9.483 -0.105 9.197 352 HA HIS 863 HA HIS 53 11.051 2.331 8.994 353 HB2 HIS 863 HB2 HIS 53 8.699 2.591 8.830 354 HB3 HIS 863 HB3 HIS 53 8.346 1.656 10.207 355 HD1 HIS 863 HD1 HIS 53 11.078 4.424 10.896 356 HD2 HIS 863 HD2 HIS 53 7.010 3.801 10.766 357 HE1 HIS 863 HE1 HIS 53 10.064 6.682 10.799 358 H LYS 864 H LYS 54 12.469 3.016 10.411 359 HA LYS 864 HA LYS 54 11.928 2.382 13.262 360 HB2 LYS 864 HB2 LYS 54 14.650 2.478 11.878 361 HB3 LYS 864 HB3 LYS 54 14.337 2.208 13.577 362 HG2 LYS 864 HG2 LYS 54 13.366 0.333 11.280 363 HG3 LYS 864 HG3 LYS 54 14.837 0.098 12.156 364 HD2 LYS 864 HD2 LYS 54 13.619 -0.294 14.265 365 HD3 LYS 864 HD3 LYS 54 12.122 0.073 13.507 366 HE2 LYS 864 HE2 LYS 54 12.157 -2.239 13.469 367 HE3 LYS 864 HE3 LYS 54 12.563 -1.791 11.821 368 HZ1 LYS 864 HZ1 LYS 54 14.042 -3.552 12.687 369 HZ2 LYS 864 HZ2 LYS 54 14.537 -2.605 13.916 370 HZ3 LYS 864 HZ3 LYS 54 14.930 -2.223 12.372 371 H GLU 865 H GLU 55 13.013 3.807 14.804 372 HA GLU 865 HA GLU 55 12.515 6.569 14.280 373 HB2 GLU 865 HB2 GLU 55 13.219 6.890 16.555 374 HB3 GLU 865 HB3 GLU 55 12.228 5.444 16.440 375 HG2 GLU 865 HG2 GLU 55 14.435 4.118 16.411 376 HG3 GLU 865 HG3 GLU 55 15.270 5.630 16.719 377 H ASP 866 H ASP 56 14.970 4.898 13.019 378 HA ASP 866 HA ASP 56 17.299 6.471 13.499 379 HB2 ASP 866 HB2 ASP 56 17.154 4.135 12.569 380 HB3 ASP 866 HB3 ASP 56 16.594 4.876 11.072 381 H HIS 867 H HIS 57 14.407 6.910 11.483 382 HA HIS 867 HA HIS 57 15.758 9.037 9.969 383 HB2 HIS 867 HB2 HIS 57 14.672 8.541 8.212 384 HB3 HIS 867 HB3 HIS 57 14.853 6.924 8.852 385 HD1 HIS 867 HD1 HIS 57 12.413 9.552 7.756 386 HD2 HIS 867 HD2 HIS 57 12.453 5.756 9.533 387 HE1 HIS 867 HE1 HIS 57 10.060 8.701 7.562 388 H GLN 868 H GLN 58 13.892 10.208 8.806 389 HA GLN 868 HA GLN 58 12.367 11.856 10.705 390 HB2 GLN 868 HB2 GLN 58 13.296 13.919 9.854 391 HB3 GLN 868 HB3 GLN 58 14.580 12.911 10.508 392 HG2 GLN 868 HG2 GLN 58 13.942 13.202 7.529 393 HG3 GLN 868 HG3 GLN 58 15.171 14.119 8.383 394 HE21 GLN 868 HE21 GLN 58 17.106 12.953 9.169 395 HE22 GLN 868 HE22 GLN 58 17.456 11.366 8.503 396 H LEU 869 H LEU 59 10.709 13.087 9.793 397 HA LEU 869 HA LEU 59 9.556 11.990 7.272 398 HB2 LEU 869 HB2 LEU 59 8.195 13.744 9.351 399 HB3 LEU 869 HB3 LEU 59 7.453 12.792 8.065 400 HG LEU 869 HG LEU 59 6.882 11.819 10.051 401 HD11 LEU 869 HD11 LEU 59 9.101 10.105 8.972 402 HD12 LEU 869 HD12 LEU 59 7.455 10.286 8.269 403 HD13 LEU 869 HD13 LEU 59 7.665 9.563 9.865 404 HD21 LEU 869 HD21 LEU 59 8.698 12.733 11.534 405 HD22 LEU 869 HD22 LEU 59 9.730 11.381 10.990 406 HD23 LEU 869 HD23 LEU 59 8.218 11.062 11.840 407 H GLU 870 H GLU 60 8.551 13.241 5.708 408 HA GLU 870 HA GLU 60 9.418 16.097 5.560 409 HB2 GLU 870 HB2 GLU 60 10.169 14.450 3.789 410 HB3 GLU 870 HB3 GLU 60 8.501 14.250 3.349 411 HG2 GLU 870 HG2 GLU 60 9.658 15.741 1.863 412 HG3 GLU 870 HG3 GLU 60 8.315 16.565 2.677 413 HA PRO 871 HA PRO 61 4.931 16.911 5.887 414 HB2 PRO 871 HB2 PRO 61 5.003 19.628 6.047 415 HB3 PRO 871 HB3 PRO 61 5.393 18.575 7.424 416 HG2 PRO 871 HG2 PRO 61 7.287 19.997 5.547 417 HG3 PRO 871 HG3 PRO 61 7.417 19.801 7.322 418 HD2 PRO 871 HD2 PRO 61 8.747 18.230 5.457 419 HD3 PRO 871 HD3 PRO 61 8.345 17.673 7.102 420 H ILE 872 H ILE 62 3.429 17.306 4.215 421 HA ILE 872 HA ILE 62 4.415 18.719 1.768 422 HB ILE 872 HB ILE 62 2.508 16.431 1.614 423 HG12 ILE 872 HG12 ILE 62 4.507 15.425 2.739 424 HG13 ILE 872 HG13 ILE 62 4.058 14.742 1.203 425 HG21 ILE 872 HG21 ILE 62 3.326 16.312 -0.718 426 HG22 ILE 872 HG22 ILE 62 4.477 17.622 -0.384 427 HG23 ILE 872 HG23 ILE 62 2.744 17.925 -0.315 428 HD11 ILE 872 HD11 ILE 62 6.544 15.062 1.564 429 HD12 ILE 872 HD12 ILE 62 6.261 16.814 1.463 430 HD13 ILE 872 HD13 ILE 62 5.910 15.778 0.068 431 H TYR 873 H TYR 63 3.219 20.396 1.317 432 HA TYR 873 HA TYR 63 0.611 20.715 2.640 433 HB2 TYR 873 HB2 TYR 63 2.539 22.763 1.522 434 HB3 TYR 873 HB3 TYR 63 1.014 23.096 2.332 435 HD1 TYR 873 HD1 TYR 63 0.668 22.481 4.740 436 HD2 TYR 873 HD2 TYR 63 4.539 22.222 2.854 437 HE1 TYR 873 HE1 TYR 63 1.744 22.476 6.967 438 HE2 TYR 873 HE2 TYR 63 5.620 22.209 5.096 439 HH TYR 873 HH TYR 63 3.744 22.485 8.133 440 H ARG 874 H ARG 64 1.219 19.268 0.068 441 HA ARG 874 HA ARG 64 -0.971 20.297 -1.567 442 HB2 ARG 874 HB2 ARG 64 1.873 19.970 -2.620 443 HB3 ARG 874 HB3 ARG 64 0.469 20.090 -3.670 444 HG2 ARG 874 HG2 ARG 64 1.427 22.281 -1.776 445 HG3 ARG 874 HG3 ARG 64 1.677 22.205 -3.514 446 HD2 ARG 874 HD2 ARG 64 -0.723 22.292 -3.950 447 HD3 ARG 874 HD3 ARG 64 -1.087 22.306 -2.235 448 HE ARG 874 HE ARG 64 0.075 24.505 -3.854 449 HH11 ARG 874 HH11 ARG 64 -0.840 23.544 -0.595 450 HH12 ARG 874 HH12 ARG 64 -1.400 25.170 -0.208 451 HH21 ARG 874 HH21 ARG 64 -0.424 26.571 -3.163 452 HH22 ARG 874 HH22 ARG 64 -1.000 26.821 -1.536 453 H1 ALA 1 H1 ALA 65 1.658 5.556 3.709 454 H2 ALA 1 H2 ALA 65 1.477 4.775 5.158 455 H3 ALA 1 H3 ALA 65 0.170 5.429 4.393 456 HA ALA 1 HA ALA 65 1.792 3.214 3.429 457 HB1 ALA 1 HB1 ALA 65 0.338 2.542 5.299 458 HB2 ALA 1 HB2 ALA 65 -0.170 1.805 3.777 459 HB3 ALA 1 HB3 ALA 65 -1.080 3.184 4.438 460 H ARG 2 H ARG 66 1.741 2.905 1.312 461 HA ARG 2 HA ARG 66 0.321 4.657 -0.448 462 HB2 ARG 2 HB2 ARG 66 1.011 2.927 -2.245 463 HB3 ARG 2 HB3 ARG 66 2.207 3.906 -1.440 464 HG2 ARG 2 HG2 ARG 66 2.965 1.620 -1.818 465 HG3 ARG 2 HG3 ARG 66 3.009 2.068 -0.123 466 HD2 ARG 2 HD2 ARG 66 0.989 0.728 0.319 467 HD3 ARG 2 HD3 ARG 66 0.863 0.343 -1.413 468 HE ARG 2 HE ARG 66 3.467 -0.398 -0.472 469 HH11 ARG 2 HH11 ARG 66 0.166 -1.551 -0.128 470 HH12 ARG 2 HH12 ARG 66 0.693 -3.181 0.194 471 HH21 ARG 2 HH21 ARG 66 4.054 -2.383 -0.059 472 HH22 ARG 2 HH22 ARG 66 2.889 -3.665 0.232 473 H THR 3 H THR 67 -1.639 4.746 -1.105 474 HA THR 3 HA THR 67 -3.146 2.269 -1.833 475 HB THR 3 HB THR 67 -5.248 3.394 -1.175 476 HG1 THR 3 HG1 THR 67 -5.166 5.229 0.081 477 HG21 THR 3 HG21 THR 67 -5.090 3.092 1.222 478 HG22 THR 3 HG22 THR 67 -3.316 3.191 1.172 479 HG23 THR 3 HG23 THR 67 -4.156 1.817 0.417 480 HH31 ALY 4 H26 ALY 68 3.430 10.862 -7.415 481 HH32 ALY 4 H27 ALY 68 3.708 11.484 -5.771 482 HH33 ALY 4 H28 ALY 68 2.939 12.521 -7.002 483 HZ ALY 4 HZ1 ALY 68 2.529 9.255 -5.664 484 HE3 ALY 4 HE3 ALY 68 0.707 8.438 -4.390 485 HE2 ALY 4 HE2 ALY 68 -0.307 9.786 -4.940 486 HD3 ALY 4 HD3 ALY 68 -0.315 8.818 -7.234 487 HD2 ALY 4 HD2 ALY 68 0.643 7.448 -6.663 488 HG3 ALY 4 HG3 ALY 68 -2.156 8.190 -5.691 489 HG2 ALY 4 HG2 ALY 68 -1.754 6.954 -6.878 490 HB3 ALY 4 HB3 ALY 68 -0.292 5.885 -4.993 491 HB2 ALY 4 HB2 ALY 68 -1.147 6.960 -3.876 492 HCA ALY 4 HA ALY 68 -3.326 6.005 -4.854 493 H ALY 4 H ALY 68 -1.479 4.664 -3.091 494 H GLN 5 H GLN 69 -4.301 5.033 -6.524 495 HA GLN 5 HA GLN 69 -3.293 2.665 -7.858 496 HB2 GLN 5 HB2 GLN 69 -5.541 4.601 -8.565 497 HB3 GLN 5 HB3 GLN 69 -5.233 3.099 -9.422 498 HG2 GLN 5 HG2 GLN 69 -5.960 3.299 -6.464 499 HG3 GLN 5 HG3 GLN 69 -7.075 2.922 -7.768 500 HE21 GLN 5 HE21 GLN 69 -6.901 1.130 -5.677 501 HE22 GLN 5 HE22 GLN 69 -6.087 -0.320 -6.245 502 H THR 6 H THR 70 -2.775 2.443 -10.109 503 HA THR 6 HA THR 70 -0.829 4.383 -11.043 504 HB THR 6 HB THR 70 -1.963 1.879 -12.335 505 HG1 THR 6 HG1 THR 70 -0.641 1.536 -10.512 506 HG21 THR 6 HG21 THR 70 -1.141 3.235 -14.165 507 HG22 THR 6 HG22 THR 70 0.064 2.002 -13.809 508 HG23 THR 6 HG23 THR 70 0.330 3.670 -13.248 509 H ALA 7 H ALA 71 -1.129 6.135 -12.295 510 HA ALA 7 HA ALA 71 -3.784 6.872 -13.175 511 HB1 ALA 7 HB1 ALA 71 -2.176 8.443 -12.169 512 HB2 ALA 7 HB2 ALA 71 -2.672 8.979 -13.782 513 HB3 ALA 7 HB3 ALA 71 -1.078 8.224 -13.552 514 H ARG 8 H ARG 72 -1.138 5.338 -14.826 515 HA ARG 8 HA ARG 72 -1.642 6.202 -17.532 516 HB2 ARG 8 HB2 ARG 72 -0.209 3.739 -16.458 517 HB3 ARG 8 HB3 ARG 72 -0.235 4.241 -18.149 518 HG2 ARG 8 HG2 ARG 72 0.848 6.394 -17.542 519 HG3 ARG 8 HG3 ARG 72 0.936 5.886 -15.850 520 HD2 ARG 8 HD2 ARG 72 2.273 4.453 -18.182 521 HD3 ARG 8 HD3 ARG 72 3.064 5.579 -17.094 522 HE ARG 8 HE ARG 72 2.830 4.061 -15.264 523 HH11 ARG 8 HH11 ARG 72 2.026 2.526 -18.315 524 HH12 ARG 8 HH12 ARG 72 2.249 0.926 -17.662 525 HH21 ARG 8 HH21 ARG 72 3.094 2.001 -14.512 526 HH22 ARG 8 HH22 ARG 72 2.841 0.646 -15.571 Start of MODEL 14 1 H1 GLY 811 H1 GLY 1 -5.483 24.886 -3.268 2 H2 GLY 811 H2 GLY 1 -6.697 25.832 -2.699 3 H3 GLY 811 H3 GLY 1 -7.037 24.467 -3.535 4 HA2 GLY 811 HA2 GLY 1 -7.430 24.061 -1.188 5 HA3 GLY 811 HA3 GLY 1 -6.107 23.071 -1.808 6 HA PRO 812 HA PRO 2 -4.607 26.661 1.184 7 HB2 PRO 812 HB2 PRO 2 -6.235 25.551 3.471 8 HB3 PRO 812 HB3 PRO 2 -5.731 27.237 3.152 9 HG2 PRO 812 HG2 PRO 2 -8.254 26.458 2.590 10 HG3 PRO 812 HG3 PRO 2 -7.354 27.471 1.415 11 HD2 PRO 812 HD2 PRO 2 -7.766 24.471 1.370 12 HD3 PRO 812 HD3 PRO 2 -7.957 25.664 0.048 13 H LEU 813 H LEU 3 -2.839 26.445 2.536 14 HA LEU 813 HA LEU 3 -1.415 24.002 2.521 15 HB2 LEU 813 HB2 LEU 3 -1.011 26.654 3.955 16 HB3 LEU 813 HB3 LEU 3 0.098 25.312 4.163 17 HG LEU 813 HG LEU 3 0.622 25.275 1.760 18 HD11 LEU 813 HD11 LEU 3 -1.346 26.261 0.708 19 HD12 LEU 813 HD12 LEU 3 0.062 27.251 0.361 20 HD13 LEU 813 HD13 LEU 3 -1.096 27.792 1.592 21 HD21 LEU 813 HD21 LEU 3 1.958 27.332 1.793 22 HD22 LEU 813 HD22 LEU 3 1.969 26.548 3.380 23 HD23 LEU 813 HD23 LEU 3 0.953 27.977 3.115 24 H GLY 814 H GLY 4 -3.628 25.170 4.956 25 HA2 GLY 814 HA2 GLY 4 -2.840 23.073 6.921 26 HA3 GLY 814 HA3 GLY 4 -3.977 24.392 7.178 27 H SER 815 H SER 5 -4.580 22.860 4.198 28 HA SER 815 HA SER 5 -6.707 21.106 5.244 29 HB2 SER 815 HB2 SER 5 -7.148 23.311 3.204 30 HB3 SER 815 HB3 SER 5 -8.374 22.194 3.817 31 HG SER 815 HG SER 5 -8.201 23.161 5.858 32 H VAL 816 H VAL 6 -4.099 20.753 3.725 33 HA VAL 816 HA VAL 6 -4.469 20.183 0.989 34 HB VAL 816 HB VAL 6 -2.457 19.214 3.074 35 HG11 VAL 816 HG11 VAL 6 -2.124 19.427 0.090 36 HG12 VAL 816 HG12 VAL 6 -2.265 17.937 1.075 37 HG13 VAL 816 HG13 VAL 6 -0.870 19.006 1.288 38 HG21 VAL 816 HG21 VAL 6 -1.077 21.050 2.538 39 HG22 VAL 816 HG22 VAL 6 -2.628 21.734 2.930 40 HG23 VAL 816 HG23 VAL 6 -2.161 21.609 1.225 41 H GLN 817 H GLN 7 -5.255 18.467 -0.054 42 HA GLN 817 HA GLN 7 -5.772 15.971 1.452 43 HB2 GLN 817 HB2 GLN 7 -6.954 15.312 -0.498 44 HB3 GLN 817 HB3 GLN 7 -7.456 16.935 -0.065 45 HG2 GLN 817 HG2 GLN 7 -7.090 17.531 -2.181 46 HG3 GLN 817 HG3 GLN 7 -5.386 17.455 -1.864 47 HE21 GLN 817 HE21 GLN 7 -7.704 16.290 -4.031 48 HE22 GLN 817 HE22 GLN 7 -6.821 14.876 -4.565 49 H HIS 818 H HIS 8 -4.594 14.143 1.232 50 HA HIS 818 HA HIS 8 -2.666 13.873 -1.044 51 HB2 HIS 818 HB2 HIS 8 -2.134 13.621 1.858 52 HB3 HIS 818 HB3 HIS 8 -1.546 12.297 0.873 53 HD2 HIS 818 HD2 HIS 8 -1.128 16.106 1.103 54 HE1 HIS 818 HE1 HIS 8 1.862 14.720 -1.563 55 HE2 HIS 818 HE2 HIS 8 0.875 16.775 -0.463 56 H VAL 819 H VAL 9 -4.712 13.168 -1.978 57 HA VAL 819 HA VAL 9 -5.771 10.539 -1.546 58 HB VAL 819 HB VAL 9 -5.653 12.337 -3.930 59 HG11 VAL 819 HG11 VAL 9 -7.091 9.659 -3.739 60 HG12 VAL 819 HG12 VAL 9 -5.764 10.070 -4.858 61 HG13 VAL 819 HG13 VAL 9 -7.321 10.888 -5.003 62 HG21 VAL 819 HG21 VAL 9 -7.140 12.969 -2.012 63 HG22 VAL 819 HG22 VAL 9 -7.915 11.374 -2.101 64 HG23 VAL 819 HG23 VAL 9 -8.080 12.531 -3.441 65 H GLY 820 H GLY 10 -4.985 8.595 -1.861 66 HA2 GLY 820 HA2 GLY 10 -3.553 6.938 -2.726 67 HA3 GLY 820 HA3 GLY 10 -2.476 8.176 -3.370 68 H PHE 821 H PHE 11 -3.075 9.114 -0.162 69 HA PHE 821 HA PHE 11 -0.946 7.320 0.958 70 HB2 PHE 821 HB2 PHE 11 -1.100 10.288 1.428 71 HB3 PHE 821 HB3 PHE 11 0.164 9.185 1.913 72 HD1 PHE 821 HD1 PHE 11 -1.428 10.829 -1.032 73 HD2 PHE 821 HD2 PHE 11 2.117 9.015 0.593 74 HE1 PHE 821 HE1 PHE 11 -0.128 11.775 -2.886 75 HE2 PHE 821 HE2 PHE 11 3.419 9.863 -1.357 76 HZ PHE 821 HZ PHE 11 2.306 11.362 -3.020 77 H LYS 822 H LYS 12 -2.420 6.129 2.054 78 HA LYS 822 HA LYS 12 -4.187 7.314 4.165 79 HB2 LYS 822 HB2 LYS 12 -5.261 5.603 3.134 80 HB3 LYS 822 HB3 LYS 12 -3.857 4.694 2.795 81 HG2 LYS 822 HG2 LYS 12 -4.521 4.810 5.744 82 HG3 LYS 822 HG3 LYS 12 -5.775 4.171 4.725 83 HD2 LYS 822 HD2 LYS 12 -4.165 2.528 3.748 84 HD3 LYS 822 HD3 LYS 12 -2.891 3.234 4.760 85 HE2 LYS 822 HE2 LYS 12 -3.697 1.152 5.689 86 HE3 LYS 822 HE3 LYS 12 -3.951 2.520 6.779 87 HZ1 LYS 822 HZ1 LYS 12 -6.301 2.511 6.252 88 HZ2 LYS 822 HZ2 LYS 12 -5.907 0.968 6.606 89 HZ3 LYS 822 HZ3 LYS 12 -6.116 1.397 5.047 90 H CYS 823 H CYS 13 -3.635 7.149 6.349 91 HA CYS 823 HA CYS 13 -0.848 7.224 6.999 92 HB2 CYS 823 HB2 CYS 13 -2.309 8.738 8.040 93 HB3 CYS 823 HB3 CYS 13 -3.468 7.482 8.416 94 H ASP 824 H ASP 14 0.210 6.081 8.614 95 HA ASP 824 HA ASP 14 -0.289 3.137 8.758 96 HB2 ASP 824 HB2 ASP 14 2.158 4.865 9.251 97 HB3 ASP 824 HB3 ASP 14 2.064 3.186 9.744 98 H ASN 825 H ASN 15 0.138 5.998 10.878 99 HA ASN 825 HA ASN 15 0.185 4.498 13.366 100 HB2 ASN 825 HB2 ASN 15 0.996 6.805 13.252 101 HB3 ASN 825 HB3 ASN 15 -0.635 7.372 12.816 102 HD21 ASN 825 HD21 ASN 15 -2.119 7.685 14.486 103 HD22 ASN 825 HD22 ASN 15 -1.633 7.543 16.177 104 H CYS 826 H CYS 16 -2.457 6.415 11.859 105 HA CYS 826 HA CYS 16 -4.428 5.269 13.654 106 HB2 CYS 826 HB2 CYS 16 -4.893 7.213 11.382 107 HB3 CYS 826 HB3 CYS 16 -5.826 7.036 12.856 108 H GLY 827 H GLY 17 -3.491 4.947 10.288 109 HA2 GLY 827 HA2 GLY 17 -4.056 3.357 8.801 110 HA3 GLY 827 HA3 GLY 17 -5.363 2.767 9.797 111 H ILE 828 H ILE 18 -5.512 6.163 9.670 112 HA ILE 828 HA ILE 18 -7.994 6.177 8.367 113 HB ILE 828 HB ILE 18 -7.439 7.831 9.996 114 HG12 ILE 828 HG12 ILE 18 -7.675 9.278 7.313 115 HG13 ILE 828 HG13 ILE 18 -9.001 8.429 8.040 116 HG21 ILE 828 HG21 ILE 18 -5.345 8.984 8.092 117 HG22 ILE 828 HG22 ILE 18 -4.990 8.088 9.572 118 HG23 ILE 828 HG23 ILE 18 -5.829 9.609 9.679 119 HD11 ILE 828 HD11 ILE 18 -7.627 10.873 9.194 120 HD12 ILE 828 HD12 ILE 18 -8.845 9.908 10.065 121 HD13 ILE 828 HD13 ILE 18 -9.268 10.743 8.555 122 H GLU 829 H GLU 19 -8.618 6.752 6.394 123 HA GLU 829 HA GLU 19 -7.060 6.068 4.126 124 HB2 GLU 829 HB2 GLU 19 -9.395 7.778 3.744 125 HB3 GLU 829 HB3 GLU 19 -8.996 6.256 2.965 126 HG2 GLU 829 HG2 GLU 19 -10.379 6.598 5.625 127 HG3 GLU 829 HG3 GLU 19 -11.060 5.980 4.126 128 HA PRO 830 HA PRO 20 -4.974 9.253 2.145 129 HB2 PRO 830 HB2 PRO 20 -7.568 10.459 1.140 130 HB3 PRO 830 HB3 PRO 20 -5.925 10.557 0.431 131 HG2 PRO 830 HG2 PRO 20 -7.627 8.611 -0.365 132 HG3 PRO 830 HG3 PRO 20 -5.894 8.248 -0.068 133 HD2 PRO 830 HD2 PRO 20 -8.306 7.700 1.615 134 HD3 PRO 830 HD3 PRO 20 -6.768 6.781 1.544 135 H ILE 831 H ILE 21 -3.939 10.444 3.524 136 HA ILE 831 HA ILE 21 -4.965 11.812 5.694 137 HB ILE 831 HB ILE 21 -2.319 12.078 4.242 138 HG12 ILE 831 HG12 ILE 21 -2.859 10.713 6.911 139 HG13 ILE 831 HG13 ILE 21 -3.137 9.856 5.420 140 HG21 ILE 831 HG21 ILE 21 -3.073 13.251 6.958 141 HG22 ILE 831 HG22 ILE 21 -2.536 14.151 5.527 142 HG23 ILE 831 HG23 ILE 21 -1.416 13.086 6.374 143 HD11 ILE 831 HD11 ILE 21 -0.916 9.350 6.256 144 HD12 ILE 831 HD12 ILE 21 -0.469 11.055 6.205 145 HD13 ILE 831 HD13 ILE 21 -0.832 10.190 4.694 146 H GLN 832 H GLN 22 -5.481 13.804 6.302 147 HA GLN 832 HA GLN 22 -5.721 15.878 4.168 148 HB2 GLN 832 HB2 GLN 22 -7.522 15.410 6.569 149 HB3 GLN 832 HB3 GLN 22 -7.720 16.643 5.325 150 HG2 GLN 832 HG2 GLN 22 -7.858 13.627 4.851 151 HG3 GLN 832 HG3 GLN 22 -9.230 14.689 5.033 152 HE21 GLN 832 HE21 GLN 22 -7.774 13.045 2.692 153 HE22 GLN 832 HE22 GLN 22 -8.099 14.151 1.348 154 H GLY 833 H GLY 23 -5.103 17.890 4.543 155 HA2 GLY 833 HA2 GLY 23 -4.941 19.832 6.035 156 HA3 GLY 833 HA3 GLY 23 -4.247 18.805 7.243 157 H VAL 834 H VAL 24 -2.353 17.554 6.511 158 HA VAL 834 HA VAL 24 -0.411 18.651 4.676 159 HB VAL 834 HB VAL 24 -0.282 19.998 6.795 160 HG11 VAL 834 HG11 VAL 24 0.540 19.097 8.838 161 HG12 VAL 834 HG12 VAL 24 0.665 17.469 8.121 162 HG13 VAL 834 HG13 VAL 24 -0.936 18.241 8.347 163 HG21 VAL 834 HG21 VAL 24 2.151 18.232 6.253 164 HG22 VAL 834 HG22 VAL 24 2.172 19.751 7.167 165 HG23 VAL 834 HG23 VAL 24 1.762 19.786 5.457 166 H ARG 835 H ARG 25 0.932 16.876 4.060 167 HA ARG 835 HA ARG 25 0.301 14.279 5.443 168 HB2 ARG 835 HB2 ARG 25 -0.119 14.571 2.977 169 HB3 ARG 835 HB3 ARG 25 1.629 14.553 2.728 170 HG2 ARG 835 HG2 ARG 25 0.454 12.307 4.363 171 HG3 ARG 835 HG3 ARG 25 -0.111 12.383 2.717 172 HD2 ARG 835 HD2 ARG 25 2.766 12.046 3.593 173 HD3 ARG 835 HD3 ARG 25 1.688 10.847 2.869 174 HE ARG 835 HE ARG 25 1.777 12.871 0.961 175 HH11 ARG 835 HH11 ARG 25 3.801 10.325 2.169 176 HH12 ARG 835 HH12 ARG 25 5.120 10.665 1.083 177 HH21 ARG 835 HH21 ARG 25 3.481 13.214 -0.554 178 HH22 ARG 835 HH22 ARG 25 4.875 12.180 -0.492 179 H TRP 836 H TRP 26 2.148 12.801 5.770 180 HA TRP 836 HA TRP 26 4.680 14.292 6.239 181 HB2 TRP 836 HB2 TRP 26 3.333 12.480 8.258 182 HB3 TRP 836 HB3 TRP 26 4.997 12.910 8.282 183 HD1 TRP 836 HD1 TRP 26 1.619 14.661 8.746 184 HE1 TRP 836 HE1 TRP 26 2.036 16.899 9.995 185 HE3 TRP 836 HE3 TRP 26 6.692 14.833 8.468 186 HZ2 TRP 836 HZ2 TRP 26 4.284 18.286 11.106 187 HZ3 TRP 836 HZ3 TRP 26 7.988 16.510 9.753 188 HH2 TRP 836 HH2 TRP 26 6.798 18.232 11.102 189 H HIS 837 H HIS 27 6.024 13.506 4.914 190 HA HIS 837 HA HIS 27 5.861 10.689 3.889 191 HB2 HIS 837 HB2 HIS 27 6.010 12.639 2.272 192 HB3 HIS 837 HB3 HIS 27 7.518 13.100 3.009 193 HD2 HIS 837 HD2 HIS 27 9.715 11.895 2.249 194 HE1 HIS 837 HE1 HIS 27 7.983 8.966 -0.324 195 HE2 HIS 837 HE2 HIS 27 10.169 9.999 0.474 196 H CYS 838 H CYS 28 7.000 9.240 5.005 197 HA CYS 838 HA CYS 28 9.081 9.902 6.786 198 HB2 CYS 838 HB2 CYS 28 7.989 7.427 5.505 199 HB3 CYS 838 HB3 CYS 28 9.608 7.359 6.223 200 H GLN 839 H GLN 29 11.270 10.282 6.570 201 HA GLN 839 HA GLN 29 12.275 10.626 3.880 202 HB2 GLN 839 HB2 GLN 29 13.634 10.906 6.565 203 HB3 GLN 839 HB3 GLN 29 14.357 11.395 5.055 204 HG2 GLN 839 HG2 GLN 29 11.658 12.560 5.890 205 HG3 GLN 839 HG3 GLN 29 13.150 13.177 6.553 206 HE21 GLN 839 HE21 GLN 29 13.191 15.234 5.541 207 HE22 GLN 839 HE22 GLN 29 13.186 15.419 3.798 208 H ASP 840 H ASP 30 12.919 8.214 6.442 209 HA ASP 840 HA ASP 30 15.087 7.003 4.795 210 HB2 ASP 840 HB2 ASP 30 15.517 7.714 7.115 211 HB3 ASP 840 HB3 ASP 30 14.260 6.637 7.678 212 H CYS 841 H CYS 31 11.864 6.201 6.116 213 HA CYS 841 HA CYS 31 11.938 3.418 5.548 214 HB2 CYS 841 HB2 CYS 31 9.571 5.323 5.569 215 HB3 CYS 841 HB3 CYS 31 9.480 3.582 5.491 216 HA PRO 842 HA PRO 32 12.447 3.635 1.223 217 HB2 PRO 842 HB2 PRO 32 11.960 1.109 0.344 218 HB3 PRO 842 HB3 PRO 32 13.272 1.488 1.508 219 HG2 PRO 842 HG2 PRO 32 10.472 0.479 2.128 220 HG3 PRO 842 HG3 PRO 32 12.029 -0.176 2.713 221 HD2 PRO 842 HD2 PRO 32 10.518 1.611 4.159 222 HD3 PRO 842 HD3 PRO 32 12.296 1.547 4.251 223 HA PRO 843 HA PRO 33 8.724 4.724 -0.964 224 HB2 PRO 843 HB2 PRO 33 10.049 3.425 -3.360 225 HB3 PRO 843 HB3 PRO 33 9.189 4.988 -3.262 226 HG2 PRO 843 HG2 PRO 33 11.880 4.960 -3.206 227 HG3 PRO 843 HG3 PRO 33 11.002 5.974 -2.011 228 HD2 PRO 843 HD2 PRO 33 12.205 3.215 -1.621 229 HD3 PRO 843 HD3 PRO 33 12.310 4.667 -0.578 230 H GLU 844 H GLU 34 9.851 1.398 -1.498 231 HA GLU 844 HA GLU 34 7.491 0.188 -2.464 232 HB2 GLU 844 HB2 GLU 34 9.703 -0.875 -2.363 233 HB3 GLU 844 HB3 GLU 34 9.645 -0.897 -0.593 234 HG2 GLU 844 HG2 GLU 34 7.852 -2.520 -0.600 235 HG3 GLU 844 HG3 GLU 34 7.573 -2.295 -2.331 236 H MET 845 H MET 35 8.376 1.038 0.835 237 HA MET 845 HA MET 35 5.889 -0.114 2.010 238 HB2 MET 845 HB2 MET 35 8.354 1.204 3.211 239 HB3 MET 845 HB3 MET 35 6.997 0.641 4.168 240 HG2 MET 845 HG2 MET 35 8.570 -1.183 2.328 241 HG3 MET 845 HG3 MET 35 8.971 -0.909 4.014 242 HE1 MET 845 HE1 MET 35 7.678 -1.817 6.078 243 HE2 MET 845 HE2 MET 35 6.106 -2.639 6.002 244 HE3 MET 845 HE3 MET 35 6.208 -0.908 5.650 245 H SER 846 H SER 36 7.515 3.037 1.622 246 HA SER 846 HA SER 36 6.890 5.204 1.924 247 HB2 SER 846 HB2 SER 36 6.010 4.680 -0.273 248 HB3 SER 846 HB3 SER 36 4.466 4.185 0.436 249 HG SER 846 HG SER 36 4.117 6.330 1.086 250 H LEU 847 H LEU 37 6.814 5.176 4.203 251 HA LEU 847 HA LEU 37 4.248 4.651 5.531 252 HB2 LEU 847 HB2 LEU 37 7.048 5.165 6.519 253 HB3 LEU 847 HB3 LEU 37 5.682 5.544 7.548 254 HG LEU 847 HG LEU 37 4.859 3.076 7.021 255 HD11 LEU 847 HD11 LEU 37 6.628 2.674 5.231 256 HD12 LEU 847 HD12 LEU 37 6.552 1.481 6.546 257 HD13 LEU 847 HD13 LEU 37 7.824 2.714 6.561 258 HD21 LEU 847 HD21 LEU 37 7.189 3.803 8.669 259 HD22 LEU 847 HD22 LEU 37 6.316 2.244 8.820 260 HD23 LEU 847 HD23 LEU 37 5.470 3.775 9.148 261 H ASP 848 H ASP 38 2.959 6.169 6.569 262 HA ASP 848 HA ASP 38 3.466 8.991 5.930 263 HB2 ASP 848 HB2 ASP 38 0.938 7.592 5.041 264 HB3 ASP 848 HB3 ASP 38 1.300 9.310 4.923 265 H PHE 849 H PHE 39 2.471 10.459 7.240 266 HA PHE 849 HA PHE 39 0.552 9.460 9.279 267 HB2 PHE 849 HB2 PHE 39 3.011 11.084 10.121 268 HB3 PHE 849 HB3 PHE 39 1.768 10.428 11.088 269 HD1 PHE 849 HD1 PHE 39 4.741 9.456 8.988 270 HD2 PHE 849 HD2 PHE 39 1.606 8.120 11.637 271 HE1 PHE 849 HE1 PHE 39 5.882 7.348 9.307 272 HE2 PHE 849 HE2 PHE 39 2.785 5.935 11.916 273 HZ PHE 849 HZ PHE 39 4.962 5.543 10.736 274 H CYS 850 H CYS 40 -0.938 10.888 10.096 275 HA CYS 850 HA CYS 40 -1.572 13.261 8.667 276 HB2 CYS 850 HB2 CYS 40 -2.574 12.462 11.417 277 HB3 CYS 850 HB3 CYS 40 -3.448 13.342 10.174 278 H ASP 851 H ASP 41 -2.208 15.281 10.034 279 HA ASP 851 HA ASP 41 0.081 16.701 10.795 280 HB2 ASP 851 HB2 ASP 41 -1.368 18.466 11.313 281 HB3 ASP 851 HB3 ASP 41 -2.154 17.599 10.006 282 H SER 852 H SER 42 -2.158 14.891 12.845 283 HA SER 852 HA SER 42 -0.939 15.823 15.331 284 HB2 SER 852 HB2 SER 42 -3.373 15.571 15.142 285 HB3 SER 852 HB3 SER 42 -3.180 13.838 14.828 286 HG SER 852 HG SER 42 -3.645 14.309 17.052 287 H CYS 853 H CYS 43 -1.114 12.724 13.506 288 HA CYS 853 HA CYS 43 0.121 11.265 15.648 289 HB2 CYS 853 HB2 CYS 43 -0.576 9.399 14.475 290 HB3 CYS 853 HB3 CYS 43 -1.838 10.625 14.244 291 H SER 854 H SER 44 1.280 12.836 12.814 292 HA SER 854 HA SER 44 3.742 11.436 12.363 293 HB2 SER 854 HB2 SER 44 4.503 13.533 11.400 294 HB3 SER 854 HB3 SER 44 2.819 13.268 10.941 295 HG SER 854 HG SER 44 3.050 15.380 11.659 296 H ASP 855 H ASP 45 2.618 13.149 15.115 297 HA ASP 855 HA ASP 45 5.298 13.704 16.192 298 HB2 ASP 855 HB2 ASP 45 3.313 15.296 16.452 299 HB3 ASP 855 HB3 ASP 45 2.611 14.097 17.541 300 H CYS 856 H CYS 46 3.331 11.004 15.920 301 HA CYS 856 HA CYS 46 3.477 10.126 18.696 302 HB2 CYS 856 HB2 CYS 46 1.548 9.817 17.018 303 HB3 CYS 856 HB3 CYS 46 2.484 8.481 16.340 304 HG CYS 856 HG CYS 46 2.767 7.168 18.603 305 H LEU 857 H LEU 47 5.520 9.838 16.058 306 HA LEU 857 HA LEU 47 7.398 8.718 15.585 307 HB2 LEU 857 HB2 LEU 47 7.933 10.024 17.604 308 HB3 LEU 857 HB3 LEU 47 7.655 8.616 18.612 309 HG LEU 857 HG LEU 47 9.578 7.474 17.778 310 HD11 LEU 857 HD11 LEU 47 10.997 8.523 15.922 311 HD12 LEU 857 HD12 LEU 47 9.607 9.547 15.556 312 HD13 LEU 857 HD13 LEU 47 9.472 7.768 15.411 313 HD21 LEU 857 HD21 LEU 47 11.387 9.073 18.225 314 HD22 LEU 857 HD22 LEU 47 10.039 9.341 19.333 315 HD23 LEU 857 HD23 LEU 47 10.278 10.435 17.951 316 H HIS 858 H HIS 48 5.965 7.087 14.719 317 HA HIS 858 HA HIS 48 5.649 4.581 16.194 318 HB2 HIS 858 HB2 HIS 48 3.739 5.579 14.949 319 HB3 HIS 858 HB3 HIS 48 4.673 5.481 13.455 320 HD2 HIS 858 HD2 HIS 48 3.876 3.518 11.992 321 HE1 HIS 858 HE1 HIS 48 2.802 0.706 15.010 322 HE2 HIS 858 HE2 HIS 48 2.915 1.114 12.505 323 H GLU 859 H GLU 49 6.147 2.499 15.143 324 HA GLU 859 HA GLU 49 8.379 2.519 13.231 325 HB2 GLU 859 HB2 GLU 49 8.609 0.999 15.885 326 HB3 GLU 859 HB3 GLU 49 9.861 1.278 14.735 327 HG2 GLU 859 HG2 GLU 49 9.815 3.744 15.326 328 HG3 GLU 859 HG3 GLU 49 8.608 3.340 16.544 329 H THR 860 H THR 50 8.864 0.470 12.283 330 HA THR 860 HA THR 50 6.879 -1.719 12.754 331 HB THR 860 HB THR 50 6.463 -2.036 10.448 332 HG1 THR 860 HG1 THR 50 7.426 -0.716 8.868 333 HG21 THR 860 HG21 THR 50 6.257 0.961 10.923 334 HG22 THR 860 HG22 THR 50 5.069 -0.257 11.420 335 HG23 THR 860 HG23 THR 50 5.387 0.007 9.690 336 H ASP 861 H ASP 51 7.964 -3.266 10.579 337 HA ASP 861 HA ASP 51 10.327 -4.429 11.805 338 HB2 ASP 861 HB2 ASP 51 8.827 -5.055 9.300 339 HB3 ASP 861 HB3 ASP 51 10.168 -6.001 9.900 340 H ILE 862 H ILE 52 9.634 -2.053 9.419 341 HA ILE 862 HA ILE 52 12.437 -1.981 8.514 342 HB ILE 862 HB ILE 52 9.898 -0.761 7.346 343 HG12 ILE 862 HG12 ILE 52 10.285 -3.123 6.729 344 HG13 ILE 862 HG13 ILE 52 10.227 -2.009 5.400 345 HG21 ILE 862 HG21 ILE 52 11.474 0.971 7.100 346 HG22 ILE 862 HG22 ILE 52 11.552 0.071 5.570 347 HG23 ILE 862 HG23 ILE 52 12.807 -0.160 6.821 348 HD11 ILE 862 HD11 ILE 52 12.655 -2.097 5.128 349 HD12 ILE 862 HD12 ILE 52 11.955 -3.721 5.085 350 HD13 ILE 862 HD13 ILE 52 12.787 -3.167 6.557 351 H HIS 863 H HIS 53 9.652 -0.042 9.608 352 HA HIS 863 HA HIS 53 11.167 2.415 9.624 353 HB2 HIS 863 HB2 HIS 53 8.840 2.551 9.203 354 HB3 HIS 863 HB3 HIS 53 8.377 1.652 10.572 355 HD1 HIS 863 HD1 HIS 53 10.934 4.492 11.508 356 HD2 HIS 863 HD2 HIS 53 6.915 3.806 10.908 357 HE1 HIS 863 HE1 HIS 53 9.896 6.739 11.310 358 H LYS 864 H LYS 54 12.433 3.109 11.194 359 HA LYS 864 HA LYS 54 11.528 2.523 13.970 360 HB2 LYS 864 HB2 LYS 54 14.407 2.638 12.959 361 HB3 LYS 864 HB3 LYS 54 13.850 2.338 14.593 362 HG2 LYS 864 HG2 LYS 54 13.227 0.501 12.153 363 HG3 LYS 864 HG3 LYS 54 14.578 0.262 13.176 364 HD2 LYS 864 HD2 LYS 54 13.116 -0.185 15.140 365 HD3 LYS 864 HD3 LYS 54 11.723 0.081 14.176 366 HE2 LYS 864 HE2 LYS 54 11.882 -2.202 14.019 367 HE3 LYS 864 HE3 LYS 54 12.654 -1.695 12.529 368 HZ1 LYS 864 HZ1 LYS 54 14.837 -2.025 13.633 369 HZ2 LYS 864 HZ2 LYS 54 13.965 -3.403 13.691 370 HZ3 LYS 864 HZ3 LYS 54 14.102 -2.474 15.023 371 H GLU 865 H GLU 55 12.357 3.991 15.604 372 HA GLU 865 HA GLU 55 11.944 6.739 14.941 373 HB2 GLU 865 HB2 GLU 55 12.266 7.122 17.285 374 HB3 GLU 865 HB3 GLU 55 11.316 5.660 17.061 375 HG2 GLU 865 HG2 GLU 55 13.499 4.350 17.419 376 HG3 GLU 865 HG3 GLU 55 14.283 5.879 17.787 377 H ASP 866 H ASP 56 14.546 5.051 14.094 378 HA ASP 866 HA ASP 56 16.785 6.668 14.827 379 HB2 ASP 866 HB2 ASP 56 16.792 4.295 13.979 380 HB3 ASP 866 HB3 ASP 56 16.405 4.963 12.399 381 H HIS 867 H HIS 57 14.175 6.976 12.431 382 HA HIS 867 HA HIS 57 15.674 9.079 11.044 383 HB2 HIS 867 HB2 HIS 57 14.738 8.614 9.200 384 HB3 HIS 867 HB3 HIS 57 14.863 6.987 9.834 385 HD1 HIS 867 HD1 HIS 57 12.531 9.636 8.572 386 HD2 HIS 867 HD2 HIS 57 12.400 5.807 10.274 387 HE1 HIS 867 HE1 HIS 57 10.229 8.783 8.096 388 H GLN 868 H GLN 58 13.939 10.284 9.716 389 HA GLN 868 HA GLN 58 12.288 11.943 11.492 390 HB2 GLN 868 HB2 GLN 58 13.311 14.005 10.752 391 HB3 GLN 868 HB3 GLN 58 14.485 12.963 11.539 392 HG2 GLN 868 HG2 GLN 58 14.228 13.334 8.512 393 HG3 GLN 868 HG3 GLN 58 15.366 14.175 9.542 394 HE21 GLN 868 HE21 GLN 58 17.155 12.913 10.523 395 HE22 GLN 868 HE22 GLN 58 17.555 11.359 9.808 396 H LEU 869 H LEU 59 10.775 13.278 10.451 397 HA LEU 869 HA LEU 59 9.721 12.173 7.877 398 HB2 LEU 869 HB2 LEU 59 8.251 13.818 9.957 399 HB3 LEU 869 HB3 LEU 59 7.583 12.901 8.607 400 HG LEU 869 HG LEU 59 6.960 11.880 10.579 401 HD11 LEU 869 HD11 LEU 59 9.142 10.181 9.395 402 HD12 LEU 869 HD12 LEU 59 7.505 10.425 8.709 403 HD13 LEU 869 HD13 LEU 59 7.703 9.614 10.266 404 HD21 LEU 869 HD21 LEU 59 8.259 10.992 12.321 405 HD22 LEU 869 HD22 LEU 59 8.792 12.666 12.107 406 HD23 LEU 869 HD23 LEU 59 9.782 11.311 11.496 407 H GLU 870 H GLU 60 8.780 13.451 6.305 408 HA GLU 870 HA GLU 60 9.577 16.339 6.252 409 HB2 GLU 870 HB2 GLU 60 10.366 14.691 4.460 410 HB3 GLU 870 HB3 GLU 60 8.706 14.523 4.005 411 HG2 GLU 870 HG2 GLU 60 9.478 16.000 2.491 412 HG3 GLU 870 HG3 GLU 60 8.680 17.075 3.632 413 HA PRO 871 HA PRO 61 5.030 16.985 6.471 414 HB2 PRO 871 HB2 PRO 61 4.994 19.690 6.808 415 HB3 PRO 871 HB3 PRO 61 5.399 18.570 8.130 416 HG2 PRO 871 HG2 PRO 61 7.290 20.152 6.382 417 HG3 PRO 871 HG3 PRO 61 7.366 19.894 8.152 418 HD2 PRO 871 HD2 PRO 61 8.826 18.452 6.292 419 HD3 PRO 871 HD3 PRO 61 8.361 17.796 7.884 420 H ILE 872 H ILE 62 3.538 17.549 4.818 421 HA ILE 872 HA ILE 62 4.666 18.878 2.392 422 HB ILE 872 HB ILE 62 2.683 16.646 2.267 423 HG12 ILE 872 HG12 ILE 62 4.681 15.621 3.361 424 HG13 ILE 872 HG13 ILE 62 4.308 14.950 1.801 425 HG21 ILE 872 HG21 ILE 62 2.925 18.185 0.342 426 HG22 ILE 872 HG22 ILE 62 3.454 16.552 -0.091 427 HG23 ILE 872 HG23 ILE 62 4.644 17.825 0.238 428 HD11 ILE 872 HD11 ILE 62 6.142 16.095 0.745 429 HD12 ILE 872 HD12 ILE 62 6.745 15.325 2.228 430 HD13 ILE 872 HD13 ILE 62 6.437 17.075 2.197 431 H TYR 873 H TYR 63 3.701 20.647 2.155 432 HA TYR 873 HA TYR 63 1.082 21.206 3.337 433 HB2 TYR 873 HB2 TYR 63 3.277 23.053 2.337 434 HB3 TYR 873 HB3 TYR 63 1.778 23.571 3.075 435 HD1 TYR 873 HD1 TYR 63 5.175 22.593 3.746 436 HD2 TYR 873 HD2 TYR 63 1.213 22.735 5.451 437 HE1 TYR 873 HE1 TYR 63 6.150 22.472 6.026 438 HE2 TYR 873 HE2 TYR 63 2.189 22.597 7.733 439 HH TYR 873 HH TYR 63 5.731 22.566 8.303 440 H ARG 874 H ARG 64 1.669 19.861 0.658 441 HA ARG 874 HA ARG 64 -0.292 21.260 -0.998 442 HB2 ARG 874 HB2 ARG 64 1.254 21.481 -2.913 443 HB3 ARG 874 HB3 ARG 64 1.657 22.525 -1.545 444 HG2 ARG 874 HG2 ARG 64 3.521 21.064 -0.908 445 HG3 ARG 874 HG3 ARG 64 3.078 19.902 -2.176 446 HD2 ARG 874 HD2 ARG 64 3.424 21.628 -3.887 447 HD3 ARG 874 HD3 ARG 64 3.863 22.795 -2.617 448 HE ARG 874 HE ARG 64 5.542 20.487 -2.409 449 HH11 ARG 874 HH11 ARG 64 7.651 20.494 -3.106 450 HH12 ARG 874 HH12 ARG 64 8.185 21.673 -4.269 451 HH21 ARG 874 HH21 ARG 64 5.136 23.223 -4.566 452 HH22 ARG 874 HH22 ARG 64 6.802 23.183 -5.074 453 H1 ALA 1 H1 ALA 65 1.885 5.665 3.788 454 H2 ALA 1 H2 ALA 65 1.662 4.716 5.118 455 H3 ALA 1 H3 ALA 65 0.366 5.411 4.374 456 HA ALA 1 HA ALA 65 2.131 3.402 3.209 457 HB1 ALA 1 HB1 ALA 65 0.745 2.392 4.935 458 HB2 ALA 1 HB2 ALA 65 0.192 1.877 3.332 459 HB3 ALA 1 HB3 ALA 65 -0.715 3.115 4.233 460 H ARG 2 H ARG 66 2.279 3.595 1.117 461 HA ARG 2 HA ARG 66 0.661 5.265 -0.511 462 HB2 ARG 2 HB2 ARG 66 1.846 4.482 -2.380 463 HB3 ARG 2 HB3 ARG 66 2.980 4.561 -1.065 464 HG2 ARG 2 HG2 ARG 66 1.776 2.095 -2.378 465 HG3 ARG 2 HG3 ARG 66 3.456 2.602 -2.373 466 HD2 ARG 2 HD2 ARG 66 3.697 2.062 -0.014 467 HD3 ARG 2 HD3 ARG 66 1.984 1.641 0.129 468 HE ARG 2 HE ARG 66 4.122 0.010 -0.939 469 HH11 ARG 2 HH11 ARG 66 0.360 -1.232 -1.514 470 HH12 ARG 2 HH12 ARG 66 0.606 0.438 -1.073 471 HH21 ARG 2 HH21 ARG 66 3.703 -2.049 -1.547 472 HH22 ARG 2 HH22 ARG 66 2.070 -2.611 -1.786 473 H THR 3 H THR 67 -1.231 5.112 -1.269 474 HA THR 3 HA THR 67 -2.399 2.555 -2.280 475 HB THR 3 HB THR 67 -4.633 3.462 -1.690 476 HG1 THR 3 HG1 THR 67 -4.773 5.265 -0.390 477 HG21 THR 3 HG21 THR 67 -3.428 1.947 -0.087 478 HG22 THR 3 HG22 THR 67 -4.572 3.056 0.688 479 HG23 THR 3 HG23 THR 67 -2.830 3.386 0.768 480 HH31 ALY 4 H26 ALY 68 4.360 12.557 -6.712 481 HH32 ALY 4 H27 ALY 68 3.696 12.403 -5.070 482 HH33 ALY 4 H28 ALY 68 2.965 13.543 -6.230 483 HZ ALY 4 HZ1 ALY 68 1.172 12.065 -5.220 484 HE3 ALY 4 HE3 ALY 68 -0.672 10.878 -6.029 485 HE2 ALY 4 HE2 ALY 68 0.313 10.196 -7.335 486 HD3 ALY 4 HD3 ALY 68 1.452 8.712 -5.677 487 HD2 ALY 4 HD2 ALY 68 0.449 9.406 -4.388 488 HG3 ALY 4 HG3 ALY 68 -1.599 8.610 -5.579 489 HG2 ALY 4 HG2 ALY 68 -0.568 7.854 -6.808 490 HB3 ALY 4 HB3 ALY 68 0.485 6.440 -5.033 491 HB2 ALY 4 HB2 ALY 68 -0.502 7.246 -3.816 492 HCA ALY 4 HA ALY 68 -2.563 6.414 -5.102 493 H ALY 4 H ALY 68 -0.747 4.859 -3.443 494 H GLN 5 H GLN 69 -3.338 4.303 -6.082 495 HA GLN 5 HA GLN 69 -1.741 2.868 -7.977 496 HB2 GLN 5 HB2 GLN 69 -3.683 1.902 -6.864 497 HB3 GLN 5 HB3 GLN 69 -4.750 3.108 -7.580 498 HG2 GLN 5 HG2 GLN 69 -4.973 0.946 -8.707 499 HG3 GLN 5 HG3 GLN 69 -4.411 2.184 -9.813 500 HE21 GLN 5 HE21 GLN 69 -2.925 1.295 -11.239 501 HE22 GLN 5 HE22 GLN 69 -1.733 0.072 -10.786 502 H THR 6 H THR 70 -1.173 3.323 -10.021 503 HA THR 6 HA THR 70 -2.194 5.677 -11.437 504 HB THR 6 HB THR 70 0.189 4.995 -11.517 505 HG1 THR 6 HG1 THR 70 0.361 5.537 -13.674 506 HG21 THR 6 HG21 THR 70 -0.737 2.811 -13.435 507 HG22 THR 6 HG22 THR 70 -0.080 2.524 -11.809 508 HG23 THR 6 HG23 THR 70 0.937 3.261 -13.054 509 H ALA 7 H ALA 71 -3.082 5.609 -13.630 510 HA ALA 7 HA ALA 71 -5.381 3.898 -13.775 511 HB1 ALA 7 HB1 ALA 71 -4.174 5.786 -15.838 512 HB2 ALA 7 HB2 ALA 71 -5.376 6.211 -14.593 513 HB3 ALA 7 HB3 ALA 71 -5.801 5.082 -15.896 514 H ARG 8 H ARG 72 -5.941 2.291 -15.223 515 HA ARG 8 HA ARG 72 -3.871 0.476 -16.102 516 HB2 ARG 8 HB2 ARG 72 -5.624 -0.970 -16.816 517 HB3 ARG 8 HB3 ARG 72 -6.024 -0.308 -15.235 518 HG2 ARG 8 HG2 ARG 72 -7.568 1.339 -16.358 519 HG3 ARG 8 HG3 ARG 72 -7.221 0.565 -17.916 520 HD2 ARG 8 HD2 ARG 72 -8.414 -0.831 -15.488 521 HD3 ARG 8 HD3 ARG 72 -9.346 -0.192 -16.855 522 HE ARG 8 HE ARG 72 -7.463 -1.893 -18.006 523 HH11 ARG 8 HH11 ARG 72 -7.820 -4.020 -18.544 524 HH12 ARG 8 HH12 ARG 72 -9.096 -4.911 -17.769 525 HH21 ARG 8 HH21 ARG 72 -10.128 -2.313 -15.778 526 HH22 ARG 8 HH22 ARG 72 -10.375 -3.978 -16.236 Start of MODEL 15 1 H1 GLY 811 H1 GLY 1 -6.128 27.839 5.782 2 H2 GLY 811 H2 GLY 1 -7.188 26.832 5.045 3 H3 GLY 811 H3 GLY 1 -7.541 28.425 5.198 4 HA2 GLY 811 HA2 GLY 1 -6.898 27.969 2.926 5 HA3 GLY 811 HA3 GLY 1 -5.744 29.052 3.724 6 HA PRO 812 HA PRO 2 -3.283 25.723 1.677 7 HB2 PRO 812 HB2 PRO 2 -1.344 28.031 1.651 8 HB3 PRO 812 HB3 PRO 2 -1.661 26.794 0.388 9 HG2 PRO 812 HG2 PRO 2 -2.712 29.268 0.133 10 HG3 PRO 812 HG3 PRO 2 -3.746 27.837 -0.197 11 HD2 PRO 812 HD2 PRO 2 -3.592 29.485 2.351 12 HD3 PRO 812 HD3 PRO 2 -5.037 28.958 1.426 13 H LEU 813 H LEU 3 -1.076 24.886 2.120 14 HA LEU 813 HA LEU 3 0.415 23.840 3.432 15 HB2 LEU 813 HB2 LEU 3 0.282 26.141 5.386 16 HB3 LEU 813 HB3 LEU 3 1.580 24.978 5.188 17 HG LEU 813 HG LEU 3 0.788 27.107 3.151 18 HD11 LEU 813 HD11 LEU 3 1.800 28.013 5.197 19 HD12 LEU 813 HD12 LEU 3 2.888 28.172 3.806 20 HD13 LEU 813 HD13 LEU 3 3.175 26.898 5.017 21 HD21 LEU 813 HD21 LEU 3 1.777 25.153 2.024 22 HD22 LEU 813 HD22 LEU 3 3.133 25.154 3.180 23 HD23 LEU 813 HD23 LEU 3 2.924 26.500 2.040 24 H GLY 814 H GLY 4 -2.506 24.811 5.080 25 HA2 GLY 814 HA2 GLY 4 -2.342 22.448 6.904 26 HA3 GLY 814 HA3 GLY 4 -3.370 23.862 7.110 27 H SER 815 H SER 5 -3.542 22.910 3.850 28 HA SER 815 HA SER 5 -5.899 21.192 4.321 29 HB2 SER 815 HB2 SER 5 -6.474 23.638 4.337 30 HB3 SER 815 HB3 SER 5 -6.025 23.696 2.628 31 HG SER 815 HG SER 5 -7.668 22.164 2.201 32 H VAL 816 H VAL 6 -3.214 20.625 3.002 33 HA VAL 816 HA VAL 6 -3.718 20.144 0.212 34 HB VAL 816 HB VAL 6 -1.704 19.042 2.199 35 HG11 VAL 816 HG11 VAL 6 -1.677 17.579 0.360 36 HG12 VAL 816 HG12 VAL 6 -0.235 18.601 0.328 37 HG13 VAL 816 HG13 VAL 6 -1.561 18.960 -0.796 38 HG21 VAL 816 HG21 VAL 6 -1.361 21.239 0.118 39 HG22 VAL 816 HG22 VAL 6 -0.186 20.711 1.356 40 HG23 VAL 816 HG23 VAL 6 -1.628 21.567 1.846 41 H GLN 817 H GLN 7 -4.099 18.087 -0.807 42 HA GLN 817 HA GLN 7 -5.288 15.991 0.981 43 HB2 GLN 817 HB2 GLN 7 -7.119 15.824 -0.724 44 HB3 GLN 817 HB3 GLN 7 -7.161 17.219 0.361 45 HG2 GLN 817 HG2 GLN 7 -6.802 18.764 -1.250 46 HG3 GLN 817 HG3 GLN 7 -5.814 17.708 -2.220 47 HE21 GLN 817 HE21 GLN 7 -7.324 15.606 -3.072 48 HE22 GLN 817 HE22 GLN 7 -8.814 16.188 -3.800 49 H HIS 818 H HIS 8 -4.380 14.119 0.673 50 HA HIS 818 HA HIS 8 -3.591 13.285 -2.119 51 HB2 HIS 818 HB2 HIS 8 -2.279 12.784 0.563 52 HB3 HIS 818 HB3 HIS 8 -2.019 11.755 -0.851 53 HD2 HIS 818 HD2 HIS 8 -0.606 14.889 0.651 54 HE1 HIS 818 HE1 HIS 8 0.453 15.059 -3.476 55 HE2 HIS 818 HE2 HIS 8 0.836 16.094 -1.223 56 H VAL 819 H VAL 9 -5.654 12.549 -2.545 57 HA VAL 819 HA VAL 9 -6.999 10.574 -0.943 58 HB VAL 819 HB VAL 9 -7.720 11.408 -3.738 59 HG11 VAL 819 HG11 VAL 9 -8.736 9.261 -3.011 60 HG12 VAL 819 HG12 VAL 9 -9.949 10.548 -2.979 61 HG13 VAL 819 HG13 VAL 9 -9.193 9.991 -1.465 62 HG21 VAL 819 HG21 VAL 9 -9.404 12.825 -2.575 63 HG22 VAL 819 HG22 VAL 9 -7.766 13.360 -2.204 64 HG23 VAL 819 HG23 VAL 9 -8.675 12.409 -1.008 65 H GLY 820 H GLY 10 -5.217 9.236 -0.708 66 HA2 GLY 820 HA2 GLY 10 -5.262 6.715 -1.630 67 HA3 GLY 820 HA3 GLY 10 -4.340 7.500 -2.916 68 H PHE 821 H PHE 11 -3.687 9.000 0.140 69 HA PHE 821 HA PHE 11 -1.411 7.076 0.639 70 HB2 PHE 821 HB2 PHE 11 -1.304 10.066 1.083 71 HB3 PHE 821 HB3 PHE 11 -0.053 8.890 1.480 72 HD1 PHE 821 HD1 PHE 11 -0.280 7.289 -1.261 73 HD2 PHE 821 HD2 PHE 11 0.253 11.411 -0.139 74 HE1 PHE 821 HE1 PHE 11 0.729 7.754 -3.462 75 HE2 PHE 821 HE2 PHE 11 1.210 11.895 -2.374 76 HZ PHE 821 HZ PHE 11 1.441 10.077 -4.046 77 H LYS 822 H LYS 12 -2.404 5.883 2.084 78 HA LYS 822 HA LYS 12 -4.105 6.918 4.231 79 HB2 LYS 822 HB2 LYS 12 -4.726 4.932 3.072 80 HB3 LYS 822 HB3 LYS 12 -3.169 4.314 3.110 81 HG2 LYS 822 HG2 LYS 12 -4.478 4.517 5.819 82 HG3 LYS 822 HG3 LYS 12 -5.295 3.541 4.627 83 HD2 LYS 822 HD2 LYS 12 -3.057 2.325 4.229 84 HD3 LYS 822 HD3 LYS 12 -2.494 3.133 5.721 85 HE2 LYS 822 HE2 LYS 12 -4.481 2.102 6.900 86 HE3 LYS 822 HE3 LYS 12 -4.902 1.288 5.386 87 HZ1 LYS 822 HZ1 LYS 12 -2.790 0.077 5.493 88 HZ2 LYS 822 HZ2 LYS 12 -3.642 -0.184 6.852 89 HZ3 LYS 822 HZ3 LYS 12 -2.361 0.823 6.891 90 H CYS 823 H CYS 13 -3.647 6.991 6.391 91 HA CYS 823 HA CYS 13 -0.903 7.189 7.263 92 HB2 CYS 823 HB2 CYS 13 -2.723 8.648 8.056 93 HB3 CYS 823 HB3 CYS 13 -3.517 7.212 8.741 94 H ASP 824 H ASP 14 0.254 5.854 8.403 95 HA ASP 824 HA ASP 14 -0.576 3.038 8.836 96 HB2 ASP 824 HB2 ASP 14 2.068 4.524 9.080 97 HB3 ASP 824 HB3 ASP 14 1.852 2.855 9.588 98 H ASN 825 H ASN 15 -0.137 5.951 10.710 99 HA ASN 825 HA ASN 15 -0.229 4.583 13.323 100 HB2 ASN 825 HB2 ASN 15 0.732 6.833 13.153 101 HB3 ASN 825 HB3 ASN 15 -0.840 7.470 12.612 102 HD21 ASN 825 HD21 ASN 15 -1.289 8.843 14.299 103 HD22 ASN 825 HD22 ASN 15 -1.472 8.278 15.959 104 H CYS 826 H CYS 16 -2.731 6.557 11.576 105 HA CYS 826 HA CYS 16 -4.841 5.757 13.369 106 HB2 CYS 826 HB2 CYS 16 -4.641 7.184 10.703 107 HB3 CYS 826 HB3 CYS 16 -6.170 7.039 11.597 108 H GLY 827 H GLY 17 -4.000 5.078 10.059 109 HA2 GLY 827 HA2 GLY 17 -4.649 3.327 8.731 110 HA3 GLY 827 HA3 GLY 17 -6.008 2.949 9.783 111 H ILE 828 H ILE 18 -5.798 6.380 9.348 112 HA ILE 828 HA ILE 18 -8.143 6.616 7.805 113 HB ILE 828 HB ILE 18 -7.434 8.427 9.197 114 HG12 ILE 828 HG12 ILE 18 -7.235 9.250 6.247 115 HG13 ILE 828 HG13 ILE 18 -8.731 8.824 7.034 116 HG21 ILE 828 HG21 ILE 18 -5.040 8.465 9.216 117 HG22 ILE 828 HG22 ILE 18 -5.517 9.956 8.518 118 HG23 ILE 828 HG23 ILE 18 -4.934 8.673 7.460 119 HD11 ILE 828 HD11 ILE 18 -8.360 10.727 8.660 120 HD12 ILE 828 HD12 ILE 18 -8.626 11.192 6.958 121 HD13 ILE 828 HD13 ILE 18 -6.993 11.249 7.644 122 H GLU 829 H GLU 19 -8.519 6.724 5.724 123 HA GLU 829 HA GLU 19 -6.613 5.326 4.056 124 HB2 GLU 829 HB2 GLU 19 -9.329 6.411 3.686 125 HB3 GLU 829 HB3 GLU 19 -8.442 5.927 2.270 126 HG2 GLU 829 HG2 GLU 19 -8.183 3.629 3.197 127 HG3 GLU 829 HG3 GLU 19 -8.962 4.134 4.699 128 HA PRO 830 HA PRO 20 -5.039 9.029 2.447 129 HB2 PRO 830 HB2 PRO 20 -6.448 10.523 1.008 130 HB3 PRO 830 HB3 PRO 20 -6.776 8.809 0.850 131 HG2 PRO 830 HG2 PRO 20 -8.410 10.905 2.262 132 HG3 PRO 830 HG3 PRO 20 -8.937 9.487 1.314 133 HD2 PRO 830 HD2 PRO 20 -8.442 9.673 4.183 134 HD3 PRO 830 HD3 PRO 20 -8.923 8.273 3.202 135 H ILE 831 H ILE 21 -3.757 10.335 3.318 136 HA ILE 831 HA ILE 21 -4.409 11.901 5.587 137 HB ILE 831 HB ILE 21 -1.911 11.693 3.904 138 HG12 ILE 831 HG12 ILE 21 -2.461 10.588 6.707 139 HG13 ILE 831 HG13 ILE 21 -2.888 9.702 5.299 140 HG21 ILE 831 HG21 ILE 21 -2.336 13.236 6.494 141 HG22 ILE 831 HG22 ILE 21 -1.731 13.875 4.959 142 HG23 ILE 831 HG23 ILE 21 -0.732 12.775 5.901 143 HD11 ILE 831 HD11 ILE 21 -0.688 9.015 6.099 144 HD12 ILE 831 HD12 ILE 21 -0.058 10.646 5.846 145 HD13 ILE 831 HD13 ILE 21 -0.612 9.689 4.459 146 H GLN 832 H GLN 22 -4.734 13.915 6.020 147 HA GLN 832 HA GLN 22 -5.013 15.889 3.806 148 HB2 GLN 832 HB2 GLN 22 -6.437 15.814 6.492 149 HB3 GLN 832 HB3 GLN 22 -6.738 16.925 5.159 150 HG2 GLN 832 HG2 GLN 22 -7.277 13.918 5.170 151 HG3 GLN 832 HG3 GLN 22 -8.474 15.189 5.306 152 HE21 GLN 832 HE21 GLN 22 -7.319 13.011 3.130 153 HE22 GLN 832 HE22 GLN 22 -7.722 13.896 1.657 154 H GLY 833 H GLY 23 -4.075 17.828 3.978 155 HA2 GLY 833 HA2 GLY 23 -3.560 19.783 5.349 156 HA3 GLY 833 HA3 GLY 23 -2.855 18.740 6.550 157 H VAL 834 H VAL 24 -1.158 17.243 5.596 158 HA VAL 834 HA VAL 24 0.708 18.248 3.617 159 HB VAL 834 HB VAL 24 1.064 19.532 5.743 160 HG11 VAL 834 HG11 VAL 24 1.937 16.939 6.982 161 HG12 VAL 834 HG12 VAL 24 0.419 17.812 7.339 162 HG13 VAL 834 HG13 VAL 24 1.981 18.564 7.710 163 HG21 VAL 834 HG21 VAL 24 3.016 19.237 4.289 164 HG22 VAL 834 HG22 VAL 24 3.351 17.640 5.020 165 HG23 VAL 834 HG23 VAL 24 3.525 19.127 5.968 166 H ARG 835 H ARG 25 1.894 16.400 2.824 167 HA ARG 835 HA ARG 25 1.102 13.755 3.991 168 HB2 ARG 835 HB2 ARG 25 1.325 14.043 1.485 169 HB3 ARG 835 HB3 ARG 25 3.036 14.370 1.730 170 HG2 ARG 835 HG2 ARG 25 3.228 12.084 2.833 171 HG3 ARG 835 HG3 ARG 25 1.574 11.778 2.295 172 HD2 ARG 835 HD2 ARG 25 2.355 12.184 -0.082 173 HD3 ARG 835 HD3 ARG 25 4.006 12.367 0.542 174 HE ARG 835 HE ARG 25 3.104 9.976 1.637 175 HH11 ARG 835 HH11 ARG 25 3.885 10.921 -1.663 176 HH12 ARG 835 HH12 ARG 25 4.271 9.270 -2.068 177 HH21 ARG 835 HH21 ARG 25 3.545 8.114 1.126 178 HH22 ARG 835 HH22 ARG 25 4.167 7.652 -0.446 179 H TRP 836 H TRP 26 2.416 12.666 5.453 180 HA TRP 836 HA TRP 26 5.218 13.677 5.787 181 HB2 TRP 836 HB2 TRP 26 3.528 12.234 7.848 182 HB3 TRP 836 HB3 TRP 26 5.223 12.445 7.922 183 HD1 TRP 836 HD1 TRP 26 2.152 14.592 8.328 184 HE1 TRP 836 HE1 TRP 26 2.909 16.851 9.396 185 HE3 TRP 836 HE3 TRP 26 7.150 14.243 7.538 186 HZ2 TRP 836 HZ2 TRP 26 5.383 18.091 10.137 187 HZ3 TRP 836 HZ3 TRP 26 8.731 15.850 8.551 188 HH2 TRP 836 HH2 TRP 26 7.869 17.776 9.882 189 H HIS 837 H HIS 27 6.139 12.597 4.153 190 HA HIS 837 HA HIS 27 5.678 9.665 3.777 191 HB2 HIS 837 HB2 HIS 27 5.626 11.020 1.777 192 HB3 HIS 837 HB3 HIS 27 7.151 11.812 2.199 193 HD2 HIS 837 HD2 HIS 27 9.270 10.836 1.133 194 HE1 HIS 837 HE1 HIS 27 7.866 6.942 0.100 195 HE2 HIS 837 HE2 HIS 27 9.838 8.546 -0.051 196 H CYS 838 H CYS 28 6.860 8.268 4.869 197 HA CYS 838 HA CYS 28 9.159 8.869 6.373 198 HB2 CYS 838 HB2 CYS 28 7.797 6.410 5.354 199 HB3 CYS 838 HB3 CYS 28 9.473 6.272 5.915 200 H GLN 839 H GLN 29 11.258 9.085 5.981 201 HA GLN 839 HA GLN 29 12.164 9.148 3.217 202 HB2 GLN 839 HB2 GLN 29 13.584 9.701 5.843 203 HB3 GLN 839 HB3 GLN 29 14.314 9.915 4.267 204 HG2 GLN 839 HG2 GLN 29 11.875 11.308 4.023 205 HG3 GLN 839 HG3 GLN 29 12.382 11.669 5.662 206 HE21 GLN 839 HE21 GLN 29 13.316 11.962 2.217 207 HE22 GLN 839 HE22 GLN 29 14.467 13.251 2.532 208 H ASP 840 H ASP 30 12.815 7.043 6.029 209 HA ASP 840 HA ASP 30 14.973 5.648 4.534 210 HB2 ASP 840 HB2 ASP 30 15.314 6.412 6.840 211 HB3 ASP 840 HB3 ASP 30 13.988 5.379 7.378 212 H CYS 841 H CYS 31 11.686 5.002 5.769 213 HA CYS 841 HA CYS 31 11.755 2.204 5.384 214 HB2 CYS 841 HB2 CYS 31 9.353 4.051 5.346 215 HB3 CYS 841 HB3 CYS 31 9.324 2.303 5.476 216 HA PRO 842 HA PRO 32 12.130 1.998 1.065 217 HB2 PRO 842 HB2 PRO 32 10.562 -0.564 0.990 218 HB3 PRO 842 HB3 PRO 32 12.231 -0.240 0.428 219 HG2 PRO 842 HG2 PRO 32 11.768 -1.586 2.739 220 HG3 PRO 842 HG3 PRO 32 13.076 -0.366 2.661 221 HD2 PRO 842 HD2 PRO 32 10.256 -0.019 3.720 222 HD3 PRO 842 HD3 PRO 32 11.801 0.427 4.469 223 HA PRO 843 HA PRO 33 8.472 3.452 -1.163 224 HB2 PRO 843 HB2 PRO 33 9.676 1.883 -3.464 225 HB3 PRO 843 HB3 PRO 33 8.962 3.526 -3.473 226 HG2 PRO 843 HG2 PRO 33 11.647 3.248 -3.411 227 HG3 PRO 843 HG3 PRO 33 10.867 4.420 -2.295 228 HD2 PRO 843 HD2 PRO 33 11.803 1.595 -1.711 229 HD3 PRO 843 HD3 PRO 33 12.068 3.095 -0.770 230 H GLU 844 H GLU 34 9.382 0.046 -1.422 231 HA GLU 844 HA GLU 34 6.967 -1.140 -2.275 232 HB2 GLU 844 HB2 GLU 34 9.150 -2.258 -2.057 233 HB3 GLU 844 HB3 GLU 34 9.067 -2.143 -0.290 234 HG2 GLU 844 HG2 GLU 34 7.128 -3.634 -0.235 235 HG3 GLU 844 HG3 GLU 34 7.046 -3.660 -1.996 236 H MET 845 H MET 35 7.865 0.034 0.924 237 HA MET 845 HA MET 35 5.287 -0.850 2.145 238 HB2 MET 845 HB2 MET 35 7.770 0.452 3.329 239 HB3 MET 845 HB3 MET 35 6.320 -0.006 4.238 240 HG2 MET 845 HG2 MET 35 8.036 -1.968 2.668 241 HG3 MET 845 HG3 MET 35 8.241 -1.621 4.377 242 HE1 MET 845 HE1 MET 35 5.202 -3.255 6.111 243 HE2 MET 845 HE2 MET 35 5.420 -1.533 5.743 244 HE3 MET 845 HE3 MET 35 6.796 -2.506 6.304 245 H SER 846 H SER 36 7.161 2.132 1.515 246 HA SER 846 HA SER 36 6.701 4.354 1.689 247 HB2 SER 846 HB2 SER 36 5.785 3.842 -0.476 248 HB3 SER 846 HB3 SER 36 4.238 3.361 0.233 249 HG SER 846 HG SER 36 3.922 5.508 0.912 250 H LEU 847 H LEU 37 6.613 4.189 4.075 251 HA LEU 847 HA LEU 37 3.973 4.081 5.322 252 HB2 LEU 847 HB2 LEU 37 6.786 4.309 6.389 253 HB3 LEU 847 HB3 LEU 37 5.454 4.733 7.420 254 HG LEU 847 HG LEU 37 4.664 2.263 6.146 255 HD11 LEU 847 HD11 LEU 37 7.541 2.122 6.959 256 HD12 LEU 847 HD12 LEU 37 6.885 1.939 5.332 257 HD13 LEU 847 HD13 LEU 37 6.493 0.736 6.590 258 HD21 LEU 847 HD21 LEU 37 5.836 1.884 8.784 259 HD22 LEU 847 HD22 LEU 37 4.294 1.410 8.124 260 HD23 LEU 847 HD23 LEU 37 4.512 3.078 8.679 261 H ASP 848 H ASP 38 2.863 5.735 6.459 262 HA ASP 848 HA ASP 38 3.665 8.478 5.836 263 HB2 ASP 848 HB2 ASP 38 1.056 7.370 4.764 264 HB3 ASP 848 HB3 ASP 38 1.557 9.051 4.782 265 H PHE 849 H PHE 39 2.586 10.056 6.996 266 HA PHE 849 HA PHE 39 0.619 9.173 9.045 267 HB2 PHE 849 HB2 PHE 39 3.115 10.790 9.756 268 HB3 PHE 849 HB3 PHE 39 1.862 10.216 10.796 269 HD1 PHE 849 HD1 PHE 39 1.703 7.976 11.551 270 HD2 PHE 849 HD2 PHE 39 4.731 9.024 8.645 271 HE1 PHE 849 HE1 PHE 39 2.760 5.743 11.825 272 HE2 PHE 849 HE2 PHE 39 5.730 6.872 8.919 273 HZ PHE 849 HZ PHE 39 4.791 5.157 10.506 274 H CYS 850 H CYS 40 -0.868 10.707 9.792 275 HA CYS 850 HA CYS 40 -1.324 13.053 8.313 276 HB2 CYS 850 HB2 CYS 40 -2.163 12.500 11.185 277 HB3 CYS 850 HB3 CYS 40 -2.954 13.586 10.055 278 H ASP 851 H ASP 41 -1.482 15.273 9.257 279 HA ASP 851 HA ASP 41 0.957 16.441 9.979 280 HB2 ASP 851 HB2 ASP 41 -0.286 18.411 10.387 281 HB3 ASP 851 HB3 ASP 41 -0.999 17.609 9.004 282 H SER 852 H SER 42 -1.407 14.934 12.061 283 HA SER 852 HA SER 42 -0.112 15.787 14.549 284 HB2 SER 852 HB2 SER 42 -2.559 15.624 14.413 285 HB3 SER 852 HB3 SER 42 -2.435 13.897 14.027 286 HG SER 852 HG SER 42 -2.828 14.306 16.287 287 H CYS 853 H CYS 43 -0.494 12.768 12.608 288 HA CYS 853 HA CYS 43 0.540 11.049 14.595 289 HB2 CYS 853 HB2 CYS 43 0.001 10.781 11.634 290 HB3 CYS 853 HB3 CYS 43 0.306 9.440 12.750 291 H SER 854 H SER 44 2.034 12.893 12.076 292 HA SER 854 HA SER 44 4.521 11.548 11.695 293 HB2 SER 854 HB2 SER 44 5.244 13.718 10.918 294 HB3 SER 854 HB3 SER 44 3.562 13.463 10.438 295 HG SER 854 HG SER 44 3.952 15.574 11.378 296 H ASP 855 H ASP 45 3.256 13.259 14.455 297 HA ASP 855 HA ASP 45 5.865 13.361 15.814 298 HB2 ASP 855 HB2 ASP 45 4.267 15.338 15.796 299 HB3 ASP 855 HB3 ASP 45 3.170 14.375 16.782 300 H CYS 856 H CYS 46 3.318 11.163 15.418 301 HA CYS 856 HA CYS 46 3.160 10.204 18.154 302 HB2 CYS 856 HB2 CYS 46 1.288 10.171 16.440 303 HB3 CYS 856 HB3 CYS 46 2.145 8.855 15.612 304 HG CYS 856 HG CYS 46 2.235 7.240 17.706 305 H LEU 857 H LEU 47 5.098 9.486 15.385 306 HA LEU 857 HA LEU 47 6.875 8.176 15.021 307 HB2 LEU 857 HB2 LEU 47 7.528 9.783 16.799 308 HB3 LEU 857 HB3 LEU 47 7.282 8.542 18.013 309 HG LEU 857 HG LEU 47 9.133 7.231 17.229 310 HD11 LEU 857 HD11 LEU 47 9.076 9.039 14.780 311 HD12 LEU 857 HD12 LEU 47 8.941 7.252 14.858 312 HD13 LEU 857 HD13 LEU 47 10.483 8.063 15.206 313 HD21 LEU 857 HD21 LEU 47 10.980 8.841 17.416 314 HD22 LEU 857 HD22 LEU 47 9.689 9.261 18.542 315 HD23 LEU 857 HD23 LEU 47 9.879 10.185 17.035 316 H HIS 858 H HIS 48 5.426 6.466 14.455 317 HA HIS 858 HA HIS 48 5.252 4.154 16.286 318 HB2 HIS 858 HB2 HIS 48 3.167 4.972 15.233 319 HB3 HIS 858 HB3 HIS 48 3.885 4.768 13.637 320 HD2 HIS 858 HD2 HIS 48 2.954 2.666 12.474 321 HE1 HIS 858 HE1 HIS 48 2.509 0.071 15.827 322 HE2 HIS 858 HE2 HIS 48 2.229 0.272 13.307 323 H GLU 859 H GLU 49 5.676 1.954 15.307 324 HA GLU 859 HA GLU 49 7.747 1.947 13.238 325 HB2 GLU 859 HB2 GLU 49 8.231 0.585 15.922 326 HB3 GLU 859 HB3 GLU 49 9.364 0.790 14.629 327 HG2 GLU 859 HG2 GLU 49 9.367 3.270 15.031 328 HG3 GLU 859 HG3 GLU 49 8.244 3.001 16.354 329 H THR 860 H THR 50 8.234 -0.111 12.283 330 HA THR 860 HA THR 50 6.303 -2.294 13.003 331 HB THR 860 HB THR 50 5.698 -2.748 10.818 332 HG1 THR 860 HG1 THR 50 6.651 -1.763 9.033 333 HG21 THR 860 HG21 THR 50 4.687 -0.721 9.908 334 HG22 THR 860 HG22 THR 50 5.689 0.310 10.951 335 HG23 THR 860 HG23 THR 50 4.498 -0.763 11.677 336 H ASP 861 H ASP 51 7.311 -3.974 10.888 337 HA ASP 861 HA ASP 51 9.634 -5.167 12.177 338 HB2 ASP 861 HB2 ASP 51 8.129 -5.865 9.696 339 HB3 ASP 861 HB3 ASP 51 9.424 -6.825 10.379 340 H ILE 862 H ILE 52 8.996 -2.986 9.587 341 HA ILE 862 HA ILE 52 11.825 -2.989 8.762 342 HB ILE 862 HB ILE 52 9.334 -2.185 7.259 343 HG12 ILE 862 HG12 ILE 52 11.539 -4.287 6.976 344 HG13 ILE 862 HG13 ILE 52 9.836 -4.581 7.338 345 HG21 ILE 862 HG21 ILE 52 10.947 -0.426 6.874 346 HG22 ILE 862 HG22 ILE 52 11.015 -1.498 5.481 347 HG23 ILE 862 HG23 ILE 52 12.275 -1.592 6.752 348 HD11 ILE 862 HD11 ILE 52 10.198 -5.148 5.073 349 HD12 ILE 862 HD12 ILE 52 10.976 -3.586 4.734 350 HD13 ILE 862 HD13 ILE 52 9.229 -3.655 5.127 351 H HIS 863 H HIS 53 8.985 -0.965 9.620 352 HA HIS 863 HA HIS 53 10.473 1.490 9.363 353 HB2 HIS 863 HB2 HIS 53 8.259 1.734 8.889 354 HB3 HIS 863 HB3 HIS 53 7.677 0.642 10.040 355 HD1 HIS 863 HD1 HIS 53 9.569 3.126 12.138 356 HD2 HIS 863 HD2 HIS 53 6.333 3.518 11.100 357 HE1 HIS 863 HE1 HIS 53 9.369 5.411 11.247 358 H LYS 864 H LYS 54 11.637 2.506 10.836 359 HA LYS 864 HA LYS 54 11.042 1.941 13.701 360 HB2 LYS 864 HB2 LYS 54 13.824 2.057 12.473 361 HB3 LYS 864 HB3 LYS 54 13.392 1.865 14.150 362 HG2 LYS 864 HG2 LYS 54 12.628 -0.178 11.940 363 HG3 LYS 864 HG3 LYS 54 14.041 -0.310 12.917 364 HD2 LYS 864 HD2 LYS 54 12.649 -0.517 14.986 365 HD3 LYS 864 HD3 LYS 54 11.224 -0.375 14.041 366 HE2 LYS 864 HE2 LYS 54 11.412 -2.655 14.233 367 HE3 LYS 864 HE3 LYS 54 12.030 -2.354 12.620 368 HZ1 LYS 864 HZ1 LYS 54 13.471 -3.885 13.871 369 HZ2 LYS 864 HZ2 LYS 54 13.723 -2.783 15.046 370 HZ3 LYS 864 HZ3 LYS 54 14.313 -2.528 13.540 371 H GLU 865 H GLU 55 11.881 3.521 15.235 372 HA GLU 865 HA GLU 55 11.460 6.226 14.380 373 HB2 GLU 865 HB2 GLU 55 11.780 6.777 16.680 374 HB3 GLU 865 HB3 GLU 55 10.825 5.309 16.573 375 HG2 GLU 865 HG2 GLU 55 12.973 4.014 17.058 376 HG3 GLU 865 HG3 GLU 55 13.791 5.555 17.280 377 H ASP 866 H ASP 56 14.098 4.415 13.758 378 HA ASP 866 HA ASP 56 16.321 5.955 14.606 379 HB2 ASP 866 HB2 ASP 56 16.187 3.518 13.932 380 HB3 ASP 866 HB3 ASP 56 16.152 4.096 12.275 381 H HIS 867 H HIS 57 14.012 6.440 12.102 382 HA HIS 867 HA HIS 57 15.864 7.778 10.254 383 HB2 HIS 867 HB2 HIS 57 14.202 7.435 8.664 384 HB3 HIS 867 HB3 HIS 57 14.554 5.961 9.505 385 HD1 HIS 867 HD1 HIS 57 11.831 8.637 10.496 386 HD2 HIS 867 HD2 HIS 57 12.456 4.711 9.183 387 HE1 HIS 867 HE1 HIS 57 9.541 7.770 9.824 388 H GLN 868 H GLN 58 13.850 9.171 8.923 389 HA GLN 868 HA GLN 58 12.675 11.246 10.589 390 HB2 GLN 868 HB2 GLN 58 13.623 13.107 9.315 391 HB3 GLN 868 HB3 GLN 58 14.868 12.227 10.180 392 HG2 GLN 868 HG2 GLN 58 14.287 11.744 7.226 393 HG3 GLN 868 HG3 GLN 58 15.383 12.994 7.789 394 HE21 GLN 868 HE21 GLN 58 17.964 10.671 8.790 395 HE22 GLN 868 HE22 GLN 58 17.299 12.248 9.183 396 H LEU 869 H LEU 59 11.113 12.580 9.395 397 HA LEU 869 HA LEU 59 9.867 11.181 7.057 398 HB2 LEU 869 HB2 LEU 59 8.652 13.150 9.041 399 HB3 LEU 869 HB3 LEU 59 7.827 12.237 7.776 400 HG LEU 869 HG LEU 59 7.199 11.425 9.849 401 HD11 LEU 869 HD11 LEU 59 9.058 9.427 8.562 402 HD12 LEU 869 HD12 LEU 59 7.407 9.806 8.023 403 HD13 LEU 869 HD13 LEU 59 7.656 9.046 9.595 404 HD21 LEU 869 HD21 LEU 59 8.484 10.426 11.538 405 HD22 LEU 869 HD22 LEU 59 9.192 12.017 11.230 406 HD23 LEU 869 HD23 LEU 59 9.985 10.539 10.612 407 H GLU 870 H GLU 60 9.113 12.355 5.302 408 HA GLU 870 HA GLU 60 10.254 15.084 4.958 409 HB2 GLU 870 HB2 GLU 60 10.848 13.273 3.342 410 HB3 GLU 870 HB3 GLU 60 9.145 13.111 2.951 411 HG2 GLU 870 HG2 GLU 60 9.921 14.384 1.260 412 HG3 GLU 870 HG3 GLU 60 9.241 15.625 2.311 413 HA PRO 871 HA PRO 61 5.854 16.338 5.249 414 HB2 PRO 871 HB2 PRO 61 6.201 19.013 5.549 415 HB3 PRO 871 HB3 PRO 61 6.439 17.860 6.883 416 HG2 PRO 871 HG2 PRO 61 8.531 19.174 5.146 417 HG3 PRO 871 HG3 PRO 61 8.579 18.865 6.906 418 HD2 PRO 871 HD2 PRO 61 9.784 17.264 4.953 419 HD3 PRO 871 HD3 PRO 61 9.334 16.688 6.571 420 H ILE 872 H ILE 62 4.531 16.855 3.508 421 HA ILE 872 HA ILE 62 5.724 18.309 1.180 422 HB ILE 872 HB ILE 62 3.623 16.223 0.844 423 HG12 ILE 872 HG12 ILE 62 5.497 15.008 2.045 424 HG13 ILE 872 HG13 ILE 62 5.033 14.376 0.507 425 HG21 ILE 872 HG21 ILE 62 4.139 17.787 -0.986 426 HG22 ILE 872 HG22 ILE 62 4.531 16.127 -1.447 427 HG23 ILE 872 HG23 ILE 62 5.817 17.271 -0.998 428 HD11 ILE 872 HD11 ILE 62 7.389 16.255 0.873 429 HD12 ILE 872 HD12 ILE 62 6.984 15.318 -0.578 430 HD13 ILE 872 HD13 ILE 62 7.501 14.469 0.891 431 H TYR 873 H TYR 63 4.714 20.122 0.803 432 HA TYR 873 HA TYR 63 2.156 20.626 2.149 433 HB2 TYR 873 HB2 TYR 63 4.331 22.495 1.163 434 HB3 TYR 873 HB3 TYR 63 2.822 23.010 1.893 435 HD1 TYR 873 HD1 TYR 63 2.235 22.319 4.264 436 HD2 TYR 873 HD2 TYR 63 6.181 21.820 2.577 437 HE1 TYR 873 HE1 TYR 63 3.192 22.127 6.549 438 HE2 TYR 873 HE2 TYR 63 7.133 21.626 4.865 439 HH TYR 873 HH TYR 63 6.706 21.759 7.143 440 H ARG 874 H ARG 64 2.609 19.284 -0.478 441 HA ARG 874 HA ARG 64 0.376 20.462 -1.936 442 HB2 ARG 874 HB2 ARG 64 3.081 19.923 -3.240 443 HB3 ARG 874 HB3 ARG 64 1.602 20.245 -4.133 444 HG2 ARG 874 HG2 ARG 64 3.016 22.210 -2.279 445 HG3 ARG 874 HG3 ARG 64 3.049 22.174 -4.037 446 HD2 ARG 874 HD2 ARG 64 0.608 22.520 -4.149 447 HD3 ARG 874 HD3 ARG 64 0.531 22.681 -2.404 448 HE ARG 874 HE ARG 64 1.528 24.620 -4.360 449 HH11 ARG 874 HH11 ARG 64 1.570 23.850 -0.931 450 HH12 ARG 874 HH12 ARG 64 1.987 25.494 -0.500 451 HH21 ARG 874 HH21 ARG 64 2.051 26.654 -3.731 452 HH22 ARG 874 HH22 ARG 64 2.244 27.044 -2.047 453 H1 ALA 1 H1 ALA 65 1.954 5.415 3.568 454 H2 ALA 1 H2 ALA 65 1.570 4.540 4.920 455 H3 ALA 1 H3 ALA 65 0.402 5.377 4.117 456 HA ALA 1 HA ALA 65 1.913 3.104 3.066 457 HB1 ALA 1 HB1 ALA 65 0.288 2.421 4.792 458 HB2 ALA 1 HB2 ALA 65 -0.204 1.861 3.186 459 HB3 ALA 1 HB3 ALA 65 -0.988 3.287 3.903 460 H ARG 2 H ARG 66 1.869 2.859 0.942 461 HA ARG 2 HA ARG 66 0.514 4.684 -0.851 462 HB2 ARG 2 HB2 ARG 66 1.439 3.458 -2.638 463 HB3 ARG 2 HB3 ARG 66 2.655 3.581 -1.399 464 HG2 ARG 2 HG2 ARG 66 1.102 1.116 -2.263 465 HG3 ARG 2 HG3 ARG 66 2.824 1.433 -2.381 466 HD2 ARG 2 HD2 ARG 66 2.904 1.427 0.162 467 HD3 ARG 2 HD3 ARG 66 1.257 0.800 0.165 468 HE ARG 2 HE ARG 66 3.746 -0.592 -0.528 469 HH11 ARG 2 HH11 ARG 66 3.796 -2.678 -0.775 470 HH12 ARG 2 HH12 ARG 66 2.346 -3.612 -1.093 471 HH21 ARG 2 HH21 ARG 66 0.261 -0.848 -0.952 472 HH22 ARG 2 HH22 ARG 66 0.363 -2.576 -1.177 473 H THR 3 H THR 67 -1.525 4.742 -1.381 474 HA THR 3 HA THR 67 -3.194 2.293 -1.705 475 HB THR 3 HB THR 67 -3.986 4.716 -0.029 476 HG1 THR 3 HG1 THR 67 -3.136 2.148 0.830 477 HG21 THR 3 HG21 THR 67 -5.656 3.164 0.978 478 HG22 THR 3 HG22 THR 67 -5.282 1.974 -0.293 479 HG23 THR 3 HG23 THR 67 -6.008 3.545 -0.703 480 HH31 ALY 4 H26 ALY 68 -6.509 12.189 -6.137 481 HH32 ALY 4 H27 ALY 68 -6.637 10.418 -6.037 482 HH33 ALY 4 H28 ALY 68 -5.734 11.164 -7.366 483 HZ ALY 4 HZ1 ALY 68 -4.116 9.641 -6.582 484 HE3 ALY 4 HE3 ALY 68 -2.071 10.843 -4.926 485 HE2 ALY 4 HE2 ALY 68 -2.890 9.518 -4.076 486 HD3 ALY 4 HD3 ALY 68 -1.636 9.316 -6.849 487 HD2 ALY 4 HD2 ALY 68 -0.828 8.797 -5.375 488 HG3 ALY 4 HG3 ALY 68 -3.542 7.655 -6.112 489 HG2 ALY 4 HG2 ALY 68 -2.077 7.062 -6.891 490 HB3 ALY 4 HB3 ALY 68 -1.197 6.186 -4.885 491 HB2 ALY 4 HB2 ALY 68 -2.269 7.142 -3.867 492 HCA ALY 4 HA ALY 68 -4.203 5.867 -4.584 493 H ALY 4 H ALY 68 -1.919 4.248 -3.570 494 H GLN 5 H GLN 69 -5.350 4.832 -6.071 495 HA GLN 5 HA GLN 69 -4.254 2.982 -8.009 496 HB2 GLN 5 HB2 GLN 69 -6.532 2.815 -7.111 497 HB3 GLN 5 HB3 GLN 69 -6.947 4.388 -7.787 498 HG2 GLN 5 HG2 GLN 69 -7.907 2.617 -9.127 499 HG3 GLN 5 HG3 GLN 69 -6.723 3.490 -10.082 500 HE21 GLN 5 HE21 GLN 69 -4.642 2.387 -10.573 501 HE22 GLN 5 HE22 GLN 69 -4.575 0.625 -10.467 502 H THR 6 H THR 70 -4.901 6.488 -8.095 503 HA THR 6 HA THR 70 -3.410 6.735 -10.597 504 HB THR 6 HB THR 70 -5.738 6.200 -11.351 505 HG1 THR 6 HG1 THR 70 -4.585 7.346 -12.785 506 HG21 THR 6 HG21 THR 70 -7.504 7.855 -11.192 507 HG22 THR 6 HG22 THR 70 -6.488 8.931 -10.212 508 HG23 THR 6 HG23 THR 70 -7.025 7.364 -9.556 509 H ALA 7 H ALA 71 -2.946 8.982 -11.174 510 HA ALA 7 HA ALA 71 -2.171 10.519 -8.874 511 HB1 ALA 7 HB1 ALA 71 -2.147 11.228 -11.840 512 HB2 ALA 7 HB2 ALA 71 -0.847 10.392 -10.956 513 HB3 ALA 7 HB3 ALA 71 -1.259 12.068 -10.557 514 H ARG 8 H ARG 72 -2.674 12.711 -8.394 515 HA ARG 8 HA ARG 72 -5.506 13.307 -8.280 516 HB2 ARG 8 HB2 ARG 72 -3.733 13.786 -6.501 517 HB3 ARG 8 HB3 ARG 72 -3.191 15.120 -7.523 518 HG2 ARG 8 HG2 ARG 72 -5.469 16.143 -7.353 519 HG3 ARG 8 HG3 ARG 72 -6.006 14.759 -6.386 520 HD2 ARG 8 HD2 ARG 72 -5.506 16.580 -4.889 521 HD3 ARG 8 HD3 ARG 72 -4.299 15.307 -4.672 522 HE ARG 8 HE ARG 72 -3.665 17.548 -6.525 523 HH11 ARG 8 HH11 ARG 72 -0.919 18.406 -4.606 524 HH12 ARG 8 HH12 ARG 72 -1.733 18.672 -6.153 525 HH21 ARG 8 HH21 ARG 72 -3.047 16.219 -3.286 526 HH22 ARG 8 HH22 ARG 72 -1.540 17.153 -3.200 Start of MODEL 16 1 H1 GLY 811 H1 GLY 1 -5.050 24.729 -4.012 2 H2 GLY 811 H2 GLY 1 -3.871 25.134 -2.951 3 H3 GLY 811 H3 GLY 1 -5.265 25.998 -3.005 4 HA2 GLY 811 HA2 GLY 1 -6.548 24.098 -2.240 5 HA3 GLY 811 HA3 GLY 1 -5.048 23.159 -2.181 6 HA PRO 812 HA PRO 2 -5.891 25.813 1.744 7 HB2 PRO 812 HB2 PRO 2 -7.324 24.180 3.396 8 HB3 PRO 812 HB3 PRO 2 -8.077 25.218 2.150 9 HG2 PRO 812 HG2 PRO 2 -7.367 22.268 1.915 10 HG3 PRO 812 HG3 PRO 2 -8.931 23.064 1.532 11 HD2 PRO 812 HD2 PRO 2 -7.085 22.534 -0.388 12 HD3 PRO 812 HD3 PRO 2 -8.052 24.037 -0.430 13 H LEU 813 H LEU 3 -3.851 25.807 2.479 14 HA LEU 813 HA LEU 3 -2.097 23.661 2.676 15 HB2 LEU 813 HB2 LEU 3 -2.002 26.227 4.308 16 HB3 LEU 813 HB3 LEU 3 -0.634 25.187 3.934 17 HG LEU 813 HG LEU 3 -2.216 26.850 1.922 18 HD11 LEU 813 HD11 LEU 3 -0.157 28.176 1.781 19 HD12 LEU 813 HD12 LEU 3 0.607 27.156 3.023 20 HD13 LEU 813 HD13 LEU 3 -0.793 28.170 3.438 21 HD21 LEU 813 HD21 LEU 3 0.275 25.135 1.528 22 HD22 LEU 813 HD22 LEU 3 -0.414 26.250 0.327 23 HD23 LEU 813 HD23 LEU 3 -1.335 24.832 0.828 24 H GLY 814 H GLY 4 -4.382 24.646 5.139 25 HA2 GLY 814 HA2 GLY 4 -3.188 22.912 7.233 26 HA3 GLY 814 HA3 GLY 4 -4.542 24.025 7.409 27 H SER 815 H SER 5 -5.166 22.214 4.647 28 HA SER 815 HA SER 5 -6.673 20.099 6.025 29 HB2 SER 815 HB2 SER 5 -8.024 22.123 4.211 30 HB3 SER 815 HB3 SER 5 -8.797 20.774 5.045 31 HG SER 815 HG SER 5 -8.379 21.791 7.027 32 H VAL 816 H VAL 6 -4.391 20.151 4.089 33 HA VAL 816 HA VAL 6 -5.092 19.526 1.449 34 HB VAL 816 HB VAL 6 -2.777 18.633 3.222 35 HG11 VAL 816 HG11 VAL 6 -2.887 18.767 0.228 36 HG12 VAL 816 HG12 VAL 6 -2.727 17.318 1.274 37 HG13 VAL 816 HG13 VAL 6 -1.428 18.515 1.223 38 HG21 VAL 816 HG21 VAL 6 -1.568 20.540 2.410 39 HG22 VAL 816 HG22 VAL 6 -3.046 21.131 3.112 40 HG23 VAL 816 HG23 VAL 6 -2.914 21.030 1.340 41 H GLN 817 H GLN 7 -5.879 17.781 0.447 42 HA GLN 817 HA GLN 7 -6.328 15.319 2.070 43 HB2 GLN 817 HB2 GLN 7 -8.084 14.868 0.377 44 HB3 GLN 817 HB3 GLN 7 -8.365 16.289 1.386 45 HG2 GLN 817 HG2 GLN 7 -8.616 17.629 -0.356 46 HG3 GLN 817 HG3 GLN 7 -7.054 17.204 -0.999 47 HE21 GLN 817 HE21 GLN 7 -6.918 15.092 -2.235 48 HE22 GLN 817 HE22 GLN 7 -8.295 14.728 -3.291 49 H HIS 818 H HIS 8 -5.080 13.596 1.714 50 HA HIS 818 HA HIS 8 -3.944 13.246 -1.033 51 HB2 HIS 818 HB2 HIS 8 -2.763 12.876 1.678 52 HB3 HIS 818 HB3 HIS 8 -2.340 11.729 0.403 53 HD2 HIS 818 HD2 HIS 8 -1.319 15.083 1.589 54 HE1 HIS 818 HE1 HIS 8 -0.298 15.136 -2.552 55 HE2 HIS 818 HE2 HIS 8 -0.078 16.385 -0.374 56 H VAL 819 H VAL 9 -5.947 12.470 -1.621 57 HA VAL 819 HA VAL 9 -6.922 9.839 -1.045 58 HB VAL 819 HB VAL 9 -7.166 11.559 -3.515 59 HG11 VAL 819 HG11 VAL 9 -7.611 9.184 -4.029 60 HG12 VAL 819 HG12 VAL 9 -9.127 10.101 -3.969 61 HG13 VAL 819 HG13 VAL 9 -8.667 9.068 -2.595 62 HG21 VAL 819 HG21 VAL 9 -9.435 11.987 -2.562 63 HG22 VAL 819 HG22 VAL 9 -8.181 12.572 -1.467 64 HG23 VAL 819 HG23 VAL 9 -9.004 11.040 -1.117 65 H GLY 820 H GLY 10 -5.475 8.257 -0.913 66 HA2 GLY 820 HA2 GLY 10 -4.271 6.603 -2.407 67 HA3 GLY 820 HA3 GLY 10 -3.386 7.993 -3.026 68 H PHE 821 H PHE 11 -3.558 8.819 0.175 69 HA PHE 821 HA PHE 11 -1.405 6.908 1.045 70 HB2 PHE 821 HB2 PHE 11 -1.298 9.833 1.723 71 HB3 PHE 821 HB3 PHE 11 -0.077 8.596 1.987 72 HD1 PHE 821 HD1 PHE 11 -0.201 11.473 0.569 73 HD2 PHE 821 HD2 PHE 11 0.354 7.401 -0.681 74 HE1 PHE 821 HE1 PHE 11 0.804 12.267 -1.536 75 HE2 PHE 821 HE2 PHE 11 1.457 8.191 -2.758 76 HZ PHE 821 HZ PHE 11 1.648 10.663 -3.190 77 H LYS 822 H LYS 12 -2.701 5.707 2.372 78 HA LYS 822 HA LYS 12 -4.301 7.020 4.547 79 HB2 LYS 822 HB2 LYS 12 -5.471 5.274 3.507 80 HB3 LYS 822 HB3 LYS 12 -4.115 4.266 3.361 81 HG2 LYS 822 HG2 LYS 12 -4.643 4.533 6.234 82 HG3 LYS 822 HG3 LYS 12 -6.164 4.446 5.436 83 HD2 LYS 822 HD2 LYS 12 -5.640 2.280 6.093 84 HD3 LYS 822 HD3 LYS 12 -5.522 2.322 4.328 85 HE2 LYS 822 HE2 LYS 12 -3.043 2.474 4.501 86 HE3 LYS 822 HE3 LYS 12 -3.162 2.506 6.269 87 HZ1 LYS 822 HZ1 LYS 12 -4.039 0.219 4.551 88 HZ2 LYS 822 HZ2 LYS 12 -4.157 0.262 6.181 89 HZ3 LYS 822 HZ3 LYS 12 -2.691 0.237 5.477 90 H CYS 823 H CYS 13 -3.726 6.875 6.702 91 HA CYS 823 HA CYS 13 -0.936 6.931 7.301 92 HB2 CYS 823 HB2 CYS 13 -2.564 8.377 8.353 93 HB3 CYS 823 HB3 CYS 13 -3.468 6.988 8.915 94 H ASP 824 H ASP 14 0.185 5.743 8.779 95 HA ASP 824 HA ASP 14 -0.449 2.820 9.006 96 HB2 ASP 824 HB2 ASP 14 2.138 4.394 9.107 97 HB3 ASP 824 HB3 ASP 14 2.020 2.716 9.597 98 H ASN 825 H ASN 15 0.165 5.684 10.960 99 HA ASN 825 HA ASN 15 0.655 4.285 13.462 100 HB2 ASN 825 HB2 ASN 15 1.310 6.650 13.148 101 HB3 ASN 825 HB3 ASN 15 -0.420 7.086 12.976 102 HD21 ASN 825 HD21 ASN 15 -0.784 8.297 14.827 103 HD22 ASN 825 HD22 ASN 15 -0.395 7.709 16.453 104 H CYS 826 H CYS 16 -2.314 5.901 12.200 105 HA CYS 826 HA CYS 16 -3.905 4.386 14.185 106 HB2 CYS 826 HB2 CYS 16 -5.259 6.227 14.468 107 HB3 CYS 826 HB3 CYS 16 -3.639 6.917 14.402 108 H GLY 827 H GLY 17 -3.438 4.700 10.798 109 HA2 GLY 827 HA2 GLY 17 -4.150 3.181 9.245 110 HA3 GLY 827 HA3 GLY 17 -5.383 2.586 10.326 111 H ILE 828 H ILE 18 -5.496 5.999 10.203 112 HA ILE 828 HA ILE 18 -8.006 6.053 8.976 113 HB ILE 828 HB ILE 18 -7.306 7.725 10.558 114 HG12 ILE 828 HG12 ILE 18 -7.800 9.123 7.903 115 HG13 ILE 828 HG13 ILE 18 -9.046 8.225 8.719 116 HG21 ILE 828 HG21 ILE 18 -5.418 8.838 8.418 117 HG22 ILE 828 HG22 ILE 18 -4.905 7.970 9.866 118 HG23 ILE 828 HG23 ILE 18 -5.754 9.487 10.036 119 HD11 ILE 828 HD11 ILE 18 -9.311 10.556 9.257 120 HD12 ILE 828 HD12 ILE 18 -7.638 10.688 9.812 121 HD13 ILE 828 HD13 ILE 18 -8.804 9.700 10.729 122 H GLU 829 H GLU 19 -8.730 6.557 7.059 123 HA GLU 829 HA GLU 19 -7.403 5.948 4.673 124 HB2 GLU 829 HB2 GLU 19 -9.357 7.395 3.748 125 HB3 GLU 829 HB3 GLU 19 -9.656 5.801 4.362 126 HG2 GLU 829 HG2 GLU 19 -10.546 6.759 6.460 127 HG3 GLU 829 HG3 GLU 19 -10.033 8.378 5.959 128 HA PRO 830 HA PRO 20 -5.243 9.004 2.435 129 HB2 PRO 830 HB2 PRO 20 -8.077 10.018 2.105 130 HB3 PRO 830 HB3 PRO 20 -6.733 9.962 0.934 131 HG2 PRO 830 HG2 PRO 20 -8.720 8.043 1.384 132 HG3 PRO 830 HG3 PRO 20 -7.283 7.820 0.335 133 HD2 PRO 830 HD2 PRO 20 -7.627 6.375 2.628 134 HD3 PRO 830 HD3 PRO 20 -6.034 6.832 1.978 135 H ILE 831 H ILE 21 -4.066 9.949 3.996 136 HA ILE 831 HA ILE 21 -4.812 11.379 6.189 137 HB ILE 831 HB ILE 21 -2.329 11.603 4.469 138 HG12 ILE 831 HG12 ILE 21 -2.573 10.304 7.210 139 HG13 ILE 831 HG13 ILE 21 -3.085 9.415 5.795 140 HG21 ILE 831 HG21 ILE 21 -1.206 12.615 6.488 141 HG22 ILE 831 HG22 ILE 21 -2.801 12.801 7.232 142 HG23 ILE 831 HG23 ILE 21 -2.380 13.681 5.743 143 HD11 ILE 831 HD11 ILE 21 -0.764 8.903 6.377 144 HD12 ILE 831 HD12 ILE 21 -0.304 10.586 6.103 145 HD13 ILE 831 HD13 ILE 21 -0.910 9.613 4.754 146 H GLN 832 H GLN 22 -5.267 13.328 6.874 147 HA GLN 832 HA GLN 22 -5.838 15.401 4.815 148 HB2 GLN 832 HB2 GLN 22 -7.192 14.980 7.492 149 HB3 GLN 832 HB3 GLN 22 -7.598 16.191 6.276 150 HG2 GLN 832 HG2 GLN 22 -7.817 13.181 5.806 151 HG3 GLN 832 HG3 GLN 22 -9.130 14.199 6.356 152 HE21 GLN 832 HE21 GLN 22 -8.004 12.772 3.607 153 HE22 GLN 832 HE22 GLN 22 -8.796 13.867 2.470 154 H GLY 833 H GLY 23 -5.014 17.380 5.031 155 HA2 GLY 833 HA2 GLY 23 -4.545 19.343 6.443 156 HA3 GLY 833 HA3 GLY 23 -3.826 18.308 7.612 157 H VAL 834 H VAL 24 -1.989 16.949 6.773 158 HA VAL 834 HA VAL 24 -0.319 18.059 4.659 159 HB VAL 834 HB VAL 24 0.102 19.342 6.759 160 HG11 VAL 834 HG11 VAL 24 1.136 18.408 8.677 161 HG12 VAL 834 HG12 VAL 24 1.182 16.791 7.928 162 HG13 VAL 834 HG13 VAL 24 -0.385 17.551 8.357 163 HG21 VAL 834 HG21 VAL 24 1.980 19.180 5.231 164 HG22 VAL 834 HG22 VAL 24 2.436 17.584 5.903 165 HG23 VAL 834 HG23 VAL 24 2.570 19.056 6.880 166 H ARG 835 H ARG 25 0.833 16.351 3.675 167 HA ARG 835 HA ARG 25 0.474 13.609 4.806 168 HB2 ARG 835 HB2 ARG 25 0.444 13.919 2.332 169 HB3 ARG 835 HB3 ARG 25 2.080 14.561 2.397 170 HG2 ARG 835 HG2 ARG 25 2.658 12.217 3.507 171 HG3 ARG 835 HG3 ARG 25 1.106 11.726 2.834 172 HD2 ARG 835 HD2 ARG 25 1.989 12.499 0.565 173 HD3 ARG 835 HD3 ARG 25 3.540 12.822 1.354 174 HE ARG 835 HE ARG 25 2.879 10.192 2.077 175 HH11 ARG 835 HH11 ARG 25 3.793 11.698 -0.986 176 HH12 ARG 835 HH12 ARG 25 4.462 10.194 -1.549 177 HH21 ARG 835 HH21 ARG 25 3.676 8.514 1.375 178 HH22 ARG 835 HH22 ARG 25 4.422 8.350 -0.195 179 H TRP 836 H TRP 26 1.948 12.669 6.187 180 HA TRP 836 HA TRP 26 4.687 13.875 6.309 181 HB2 TRP 836 HB2 TRP 26 3.170 12.273 8.351 182 HB3 TRP 836 HB3 TRP 26 4.889 12.492 8.388 183 HD1 TRP 836 HD1 TRP 26 1.771 14.398 9.108 184 HE1 TRP 836 HE1 TRP 26 2.444 16.645 10.281 185 HE3 TRP 836 HE3 TRP 26 6.708 14.435 7.996 186 HZ2 TRP 836 HZ2 TRP 26 4.884 17.958 10.991 187 HZ3 TRP 836 HZ3 TRP 26 8.252 16.025 9.090 188 HH2 TRP 836 HH2 TRP 26 7.372 17.760 10.622 189 H HIS 837 H HIS 27 5.618 12.958 4.576 190 HA HIS 837 HA HIS 27 5.494 10.016 4.037 191 HB2 HIS 837 HB2 HIS 27 5.398 11.496 2.107 192 HB3 HIS 837 HB3 HIS 27 6.795 12.409 2.666 193 HD2 HIS 837 HD2 HIS 27 8.994 11.814 1.520 194 HE1 HIS 837 HE1 HIS 27 8.201 7.779 0.383 195 HE2 HIS 837 HE2 HIS 27 9.902 9.671 0.278 196 H CYS 838 H CYS 28 6.984 8.624 4.969 197 HA CYS 838 HA CYS 28 9.121 9.621 6.604 198 HB2 CYS 838 HB2 CYS 28 7.799 7.548 6.848 199 HB3 CYS 838 HB3 CYS 28 8.746 6.908 5.482 200 H GLN 839 H GLN 29 11.161 10.039 6.194 201 HA GLN 839 HA GLN 29 11.948 10.488 3.451 202 HB2 GLN 839 HB2 GLN 29 13.476 10.773 6.069 203 HB3 GLN 839 HB3 GLN 29 14.097 11.233 4.486 204 HG2 GLN 839 HG2 GLN 29 12.062 12.737 4.211 205 HG3 GLN 839 HG3 GLN 29 11.750 12.506 5.932 206 HE21 GLN 839 HE21 GLN 29 12.223 15.151 4.983 207 HE22 GLN 839 HE22 GLN 29 13.818 15.624 5.460 208 H ASP 840 H ASP 30 12.856 8.055 5.948 209 HA ASP 840 HA ASP 30 14.959 6.986 4.122 210 HB2 ASP 840 HB2 ASP 30 15.372 7.628 6.556 211 HB3 ASP 840 HB3 ASP 30 14.215 6.429 6.938 212 H CYS 841 H CYS 31 11.766 6.056 5.393 213 HA CYS 841 HA CYS 31 11.922 3.246 4.881 214 HB2 CYS 841 HB2 CYS 31 9.634 5.193 4.920 215 HB3 CYS 841 HB3 CYS 31 9.391 3.573 4.332 216 HA PRO 842 HA PRO 32 12.359 3.372 0.470 217 HB2 PRO 842 HB2 PRO 32 11.676 0.830 -0.297 218 HB3 PRO 842 HB3 PRO 32 13.147 1.217 0.644 219 HG2 PRO 842 HG2 PRO 32 10.495 0.191 1.694 220 HG3 PRO 842 HG3 PRO 32 12.144 -0.362 2.100 221 HD2 PRO 842 HD2 PRO 32 10.726 1.432 3.646 222 HD3 PRO 842 HD3 PRO 32 12.504 1.437 3.525 223 HA PRO 843 HA PRO 33 8.405 4.570 -1.261 224 HB2 PRO 843 HB2 PRO 33 9.518 3.374 -3.814 225 HB3 PRO 843 HB3 PRO 33 8.645 4.918 -3.590 226 HG2 PRO 843 HG2 PRO 33 11.334 4.929 -3.791 227 HG3 PRO 843 HG3 PRO 33 10.564 5.896 -2.488 228 HD2 PRO 843 HD2 PRO 33 11.839 3.152 -2.292 229 HD3 PRO 843 HD3 PRO 33 12.008 4.570 -1.211 230 H GLU 844 H GLU 34 9.559 1.305 -1.986 231 HA GLU 844 HA GLU 34 7.168 0.024 -2.762 232 HB2 GLU 844 HB2 GLU 34 9.411 -0.959 -2.900 233 HB3 GLU 844 HB3 GLU 34 9.531 -1.011 -1.131 234 HG2 GLU 844 HG2 GLU 34 7.786 -2.693 -1.002 235 HG3 GLU 844 HG3 GLU 34 7.368 -2.469 -2.698 236 H MET 845 H MET 35 8.289 0.867 0.474 237 HA MET 845 HA MET 35 5.929 -0.386 1.789 238 HB2 MET 845 HB2 MET 35 8.369 1.047 2.891 239 HB3 MET 845 HB3 MET 35 7.038 0.443 3.877 240 HG2 MET 845 HG2 MET 35 8.703 -1.313 2.040 241 HG3 MET 845 HG3 MET 35 9.062 -1.045 3.740 242 HE1 MET 845 HE1 MET 35 6.324 -2.984 5.655 243 HE2 MET 845 HE2 MET 35 6.301 -1.240 5.338 244 HE3 MET 845 HE3 MET 35 7.835 -2.052 5.741 245 H SER 846 H SER 36 7.423 2.840 1.407 246 HA SER 846 HA SER 36 6.739 4.962 1.941 247 HB2 SER 846 HB2 SER 36 5.840 4.646 -0.269 248 HB3 SER 846 HB3 SER 36 4.348 3.955 0.392 249 HG SER 846 HG SER 36 3.866 5.959 1.322 250 H LEU 847 H LEU 37 6.699 4.584 4.292 251 HA LEU 847 HA LEU 37 4.034 4.221 5.483 252 HB2 LEU 847 HB2 LEU 37 6.804 4.373 6.686 253 HB3 LEU 847 HB3 LEU 37 5.406 4.798 7.647 254 HG LEU 847 HG LEU 37 4.465 2.480 6.562 255 HD11 LEU 847 HD11 LEU 37 7.414 1.933 6.832 256 HD12 LEU 847 HD12 LEU 37 6.500 2.024 5.319 257 HD13 LEU 847 HD13 LEU 37 6.123 0.762 6.512 258 HD21 LEU 847 HD21 LEU 37 4.590 3.105 8.972 259 HD22 LEU 847 HD22 LEU 37 6.163 2.270 8.980 260 HD23 LEU 847 HD23 LEU 37 4.694 1.404 8.533 261 H ASP 848 H ASP 38 2.843 5.742 6.584 262 HA ASP 848 HA ASP 38 3.521 8.567 6.051 263 HB2 ASP 848 HB2 ASP 38 0.982 7.240 5.061 264 HB3 ASP 848 HB3 ASP 38 1.346 8.952 5.040 265 H PHE 849 H PHE 39 2.426 10.053 7.331 266 HA PHE 849 HA PHE 39 0.434 9.013 9.263 267 HB2 PHE 849 HB2 PHE 39 2.759 10.692 10.284 268 HB3 PHE 849 HB3 PHE 39 1.546 9.815 11.150 269 HD1 PHE 849 HD1 PHE 39 4.737 9.504 9.347 270 HD2 PHE 849 HD2 PHE 39 1.485 7.362 11.144 271 HE1 PHE 849 HE1 PHE 39 6.033 7.399 9.190 272 HE2 PHE 849 HE2 PHE 39 2.828 5.265 11.122 273 HZ PHE 849 HZ PHE 39 5.074 5.272 10.078 274 H CYS 850 H CYS 40 -0.818 10.479 10.360 275 HA CYS 850 HA CYS 40 -1.588 12.894 9.067 276 HB2 CYS 850 HB2 CYS 40 -2.168 11.820 11.855 277 HB3 CYS 850 HB3 CYS 40 -3.132 13.015 10.985 278 H ASP 851 H ASP 41 -1.828 14.954 10.389 279 HA ASP 851 HA ASP 41 0.660 16.124 10.950 280 HB2 ASP 851 HB2 ASP 41 -0.531 18.054 11.491 281 HB3 ASP 851 HB3 ASP 41 -1.499 17.252 10.288 282 H SER 852 H SER 42 -1.588 14.558 13.168 283 HA SER 852 HA SER 42 0.001 15.143 15.559 284 HB2 SER 852 HB2 SER 42 -2.458 15.154 15.643 285 HB3 SER 852 HB3 SER 42 -2.473 13.444 15.146 286 HG SER 852 HG SER 42 -2.649 13.775 17.465 287 H CYS 853 H CYS 43 -0.750 12.314 13.469 288 HA CYS 853 HA CYS 43 0.332 10.302 15.115 289 HB2 CYS 853 HB2 CYS 43 -0.305 10.634 12.200 290 HB3 CYS 853 HB3 CYS 43 0.327 9.136 12.864 291 H SER 854 H SER 44 1.729 12.329 12.590 292 HA SER 854 HA SER 44 4.285 10.990 12.304 293 HB2 SER 854 HB2 SER 44 3.628 12.637 10.709 294 HB3 SER 854 HB3 SER 44 3.391 13.863 11.946 295 HG SER 854 HG SER 44 5.424 14.232 11.050 296 H ASP 855 H ASP 45 3.006 13.169 14.734 297 HA ASP 855 HA ASP 45 5.591 13.483 16.089 298 HB2 ASP 855 HB2 ASP 45 3.951 15.396 15.865 299 HB3 ASP 855 HB3 ASP 45 2.874 14.524 16.947 300 H CYS 856 H CYS 46 3.045 11.253 15.969 301 HA CYS 856 HA CYS 46 3.037 10.448 18.758 302 HB2 CYS 856 HB2 CYS 46 1.113 10.277 17.059 303 HB3 CYS 856 HB3 CYS 46 1.990 8.898 16.375 304 HG CYS 856 HG CYS 46 0.830 9.335 19.455 305 H LEU 857 H LEU 47 4.835 9.651 15.912 306 HA LEU 857 HA LEU 47 6.514 8.336 15.344 307 HB2 LEU 857 HB2 LEU 47 7.289 9.410 17.691 308 HB3 LEU 857 HB3 LEU 47 7.469 7.705 18.060 309 HG LEU 857 HG LEU 47 9.538 8.466 17.235 310 HD11 LEU 857 HD11 LEU 47 8.292 7.104 14.807 311 HD12 LEU 857 HD12 LEU 47 8.876 6.270 16.273 312 HD13 LEU 857 HD13 LEU 47 9.988 7.183 15.236 313 HD21 LEU 857 HD21 LEU 47 8.197 9.625 14.762 314 HD22 LEU 857 HD22 LEU 47 9.928 9.650 15.163 315 HD23 LEU 857 HD23 LEU 47 8.779 10.549 16.160 316 H HIS 858 H HIS 48 5.919 6.634 14.322 317 HA HIS 858 HA HIS 48 5.091 4.120 15.724 318 HB2 HIS 858 HB2 HIS 48 3.411 5.244 14.248 319 HB3 HIS 858 HB3 HIS 48 4.537 5.096 12.903 320 HD2 HIS 858 HD2 HIS 48 4.201 3.005 11.422 321 HE1 HIS 858 HE1 HIS 48 2.184 0.461 14.189 322 HE2 HIS 858 HE2 HIS 48 3.003 0.685 11.793 323 H GLU 859 H GLU 49 6.035 2.112 14.861 324 HA GLU 859 HA GLU 49 8.178 2.382 12.896 325 HB2 GLU 859 HB2 GLU 49 8.639 0.859 15.511 326 HB3 GLU 859 HB3 GLU 49 9.805 1.161 14.274 327 HG2 GLU 859 HG2 GLU 49 9.794 3.573 14.787 328 HG3 GLU 859 HG3 GLU 49 8.557 3.283 16.016 329 H THR 860 H THR 50 8.784 0.474 11.791 330 HA THR 860 HA THR 50 7.156 -1.983 12.423 331 HB THR 860 HB THR 50 6.735 -2.451 10.164 332 HG1 THR 860 HG1 THR 50 7.467 -1.080 8.499 333 HG21 THR 860 HG21 THR 50 5.328 -0.619 9.421 334 HG22 THR 860 HG22 THR 50 6.117 0.514 10.555 335 HG23 THR 860 HG23 THR 50 5.161 -0.830 11.183 336 H ASP 861 H ASP 51 8.461 -3.349 10.157 337 HA ASP 861 HA ASP 51 10.899 -4.286 11.432 338 HB2 ASP 861 HB2 ASP 51 9.586 -4.960 8.840 339 HB3 ASP 861 HB3 ASP 51 11.011 -5.764 9.472 340 H ILE 862 H ILE 52 9.968 -2.104 8.872 341 HA ILE 862 HA ILE 52 12.803 -1.588 8.197 342 HB ILE 862 HB ILE 52 10.303 -1.083 6.598 343 HG12 ILE 862 HG12 ILE 52 12.790 -2.867 6.383 344 HG13 ILE 862 HG13 ILE 52 11.130 -3.400 6.639 345 HG21 ILE 862 HG21 ILE 52 12.075 -0.167 4.958 346 HG22 ILE 862 HG22 ILE 52 13.160 -0.076 6.373 347 HG23 ILE 862 HG23 ILE 52 11.660 0.873 6.319 348 HD11 ILE 862 HD11 ILE 52 12.248 -2.187 4.122 349 HD12 ILE 862 HD12 ILE 52 10.521 -2.541 4.418 350 HD13 ILE 862 HD13 ILE 52 11.721 -3.853 4.399 351 H HIS 863 H HIS 53 9.702 -0.076 9.111 352 HA HIS 863 HA HIS 53 10.793 2.620 9.131 353 HB2 HIS 863 HB2 HIS 53 8.481 2.409 8.721 354 HB3 HIS 863 HB3 HIS 53 8.191 1.314 9.986 355 HD1 HIS 863 HD1 HIS 53 9.840 3.881 12.074 356 HD2 HIS 863 HD2 HIS 53 6.812 4.297 10.898 357 HE1 HIS 863 HE1 HIS 53 9.826 6.131 11.042 358 H LYS 864 H LYS 54 12.033 3.461 10.751 359 HA LYS 864 HA LYS 54 11.439 2.530 13.524 360 HB2 LYS 864 HB2 LYS 54 14.185 2.863 12.270 361 HB3 LYS 864 HB3 LYS 54 13.809 2.563 13.953 362 HG2 LYS 864 HG2 LYS 54 13.197 0.634 11.592 363 HG3 LYS 864 HG3 LYS 54 14.592 0.549 12.633 364 HD2 LYS 864 HD2 LYS 54 13.099 0.117 14.619 365 HD3 LYS 864 HD3 LYS 54 11.744 0.083 13.555 366 HE2 LYS 864 HE2 LYS 54 12.237 -2.143 13.649 367 HE3 LYS 864 HE3 LYS 54 13.015 -1.672 12.150 368 HZ1 LYS 864 HZ1 LYS 54 14.492 -3.047 13.517 369 HZ2 LYS 864 HZ2 LYS 54 14.408 -2.018 14.775 370 HZ3 LYS 864 HZ3 LYS 54 15.156 -1.563 13.391 371 H GLU 865 H GLU 55 12.235 3.979 15.249 372 HA GLU 865 HA GLU 55 11.994 6.771 14.577 373 HB2 GLU 865 HB2 GLU 55 12.255 7.174 16.887 374 HB3 GLU 865 HB3 GLU 55 11.261 5.733 16.706 375 HG2 GLU 865 HG2 GLU 55 13.360 4.353 17.137 376 HG3 GLU 865 HG3 GLU 55 14.223 5.850 17.468 377 H ASP 866 H ASP 56 14.480 4.837 13.769 378 HA ASP 866 HA ASP 56 16.813 6.421 14.392 379 HB2 ASP 866 HB2 ASP 56 16.198 4.284 12.389 380 HB3 ASP 866 HB3 ASP 56 17.778 5.028 12.541 381 H HIS 867 H HIS 57 14.157 6.569 12.025 382 HA HIS 867 HA HIS 57 15.563 8.639 10.504 383 HB2 HIS 867 HB2 HIS 57 14.026 7.840 8.711 384 HB3 HIS 867 HB3 HIS 57 15.394 6.836 9.097 385 HD1 HIS 867 HD1 HIS 57 14.517 4.688 8.132 386 HD2 HIS 867 HD2 HIS 57 11.795 6.822 10.462 387 HE1 HIS 867 HE1 HIS 57 12.175 4.200 7.242 388 H GLN 868 H GLN 58 13.765 9.733 9.227 389 HA GLN 868 HA GLN 58 11.849 10.966 11.086 390 HB2 GLN 868 HB2 GLN 58 12.693 13.185 10.591 391 HB3 GLN 868 HB3 GLN 58 13.945 12.192 11.315 392 HG2 GLN 868 HG2 GLN 58 13.717 12.673 8.302 393 HG3 GLN 868 HG3 GLN 58 14.654 13.695 9.377 394 HE21 GLN 868 HE21 GLN 58 16.535 12.669 10.541 395 HE22 GLN 868 HE22 GLN 58 17.243 11.236 9.809 396 H LEU 869 H LEU 59 10.408 12.539 10.077 397 HA LEU 869 HA LEU 59 9.426 11.551 7.454 398 HB2 LEU 869 HB2 LEU 59 7.945 13.185 9.540 399 HB3 LEU 869 HB3 LEU 59 7.283 12.312 8.160 400 HG LEU 869 HG LEU 59 6.598 11.176 10.019 401 HD11 LEU 869 HD11 LEU 59 7.584 8.954 9.841 402 HD12 LEU 869 HD12 LEU 59 8.980 9.628 8.989 403 HD13 LEU 869 HD13 LEU 59 7.346 9.720 8.255 404 HD21 LEU 869 HD21 LEU 59 9.370 10.805 11.187 405 HD22 LEU 869 HD22 LEU 59 7.810 10.362 11.868 406 HD23 LEU 869 HD23 LEU 59 8.217 12.072 11.707 407 H GLU 870 H GLU 60 8.468 12.961 5.961 408 HA GLU 870 HA GLU 60 9.438 15.776 5.937 409 HB2 GLU 870 HB2 GLU 60 10.427 14.276 4.243 410 HB3 GLU 870 HB3 GLU 60 8.829 13.856 3.665 411 HG2 GLU 870 HG2 GLU 60 9.940 15.413 2.204 412 HG3 GLU 870 HG3 GLU 60 8.459 16.123 2.867 413 HA PRO 871 HA PRO 61 4.950 16.509 5.914 414 HB2 PRO 871 HB2 PRO 61 4.925 19.178 6.359 415 HB3 PRO 871 HB3 PRO 61 5.351 17.993 7.626 416 HG2 PRO 871 HG2 PRO 61 7.202 19.685 5.939 417 HG3 PRO 871 HG3 PRO 61 7.309 19.320 7.686 418 HD2 PRO 871 HD2 PRO 61 8.715 17.978 5.670 419 HD3 PRO 871 HD3 PRO 61 8.361 17.289 7.270 420 H ILE 872 H ILE 62 3.537 16.944 4.186 421 HA ILE 872 HA ILE 62 4.491 18.778 2.032 422 HB ILE 872 HB ILE 62 2.621 16.556 1.456 423 HG12 ILE 872 HG12 ILE 62 5.601 16.319 1.903 424 HG13 ILE 872 HG13 ILE 62 4.269 15.222 2.347 425 HG21 ILE 872 HG21 ILE 62 3.001 18.522 -0.099 426 HG22 ILE 872 HG22 ILE 62 3.423 16.977 -0.816 427 HG23 ILE 872 HG23 ILE 62 4.707 18.054 -0.213 428 HD11 ILE 872 HD11 ILE 62 5.602 14.230 0.640 429 HD12 ILE 872 HD12 ILE 62 5.476 15.699 -0.365 430 HD13 ILE 872 HD13 ILE 62 4.025 14.693 -0.072 431 H TYR 873 H TYR 63 3.334 20.519 1.894 432 HA TYR 873 HA TYR 63 0.772 20.750 3.285 433 HB2 TYR 873 HB2 TYR 63 2.807 22.810 2.374 434 HB3 TYR 873 HB3 TYR 63 1.278 23.201 3.131 435 HD1 TYR 873 HD1 TYR 63 0.743 22.276 5.450 436 HD2 TYR 873 HD2 TYR 63 4.714 22.246 3.755 437 HE1 TYR 873 HE1 TYR 63 1.714 21.961 7.720 438 HE2 TYR 873 HE2 TYR 63 5.683 21.957 6.025 439 HH TYR 873 HH TYR 63 5.248 21.868 8.302 440 H ARG 874 H ARG 64 1.214 19.621 0.568 441 HA ARG 874 HA ARG 64 -1.144 20.692 -0.712 442 HB2 ARG 874 HB2 ARG 64 -0.075 21.084 -2.906 443 HB3 ARG 874 HB3 ARG 64 0.443 22.254 -1.688 444 HG2 ARG 874 HG2 ARG 64 2.589 21.158 -1.424 445 HG3 ARG 874 HG3 ARG 64 2.065 19.763 -2.367 446 HD2 ARG 874 HD2 ARG 64 3.438 21.082 -3.806 447 HD3 ARG 874 HD3 ARG 64 1.766 21.205 -4.349 448 HE ARG 874 HE ARG 64 1.695 23.462 -3.772 449 HH11 ARG 874 HH11 ARG 64 4.786 22.202 -2.672 450 HH12 ARG 874 HH12 ARG 64 5.405 23.792 -2.334 451 HH21 ARG 874 HH21 ARG 64 2.557 25.440 -3.316 452 HH22 ARG 874 HH22 ARG 64 4.183 25.577 -2.717 453 H1 ALA 1 H1 ALA 65 0.123 5.071 4.325 454 H2 ALA 1 H2 ALA 65 1.645 5.408 3.779 455 H3 ALA 1 H3 ALA 65 1.429 4.373 5.035 456 HA ALA 1 HA ALA 65 1.973 3.196 3.042 457 HB1 ALA 1 HB1 ALA 65 -0.859 2.733 4.029 458 HB2 ALA 1 HB2 ALA 65 0.636 2.002 4.662 459 HB3 ALA 1 HB3 ALA 65 0.094 1.602 3.030 460 H ARG 2 H ARG 66 2.040 3.373 0.947 461 HA ARG 2 HA ARG 66 0.329 5.081 -0.598 462 HB2 ARG 2 HB2 ARG 66 1.610 4.521 -2.461 463 HB3 ARG 2 HB3 ARG 66 2.713 4.580 -1.115 464 HG2 ARG 2 HG2 ARG 66 1.730 2.147 -2.646 465 HG3 ARG 2 HG3 ARG 66 3.361 2.774 -2.554 466 HD2 ARG 2 HD2 ARG 66 3.607 2.059 -0.249 467 HD3 ARG 2 HD3 ARG 66 1.924 1.547 -0.152 468 HE ARG 2 HE ARG 66 4.139 0.060 -1.198 469 HH11 ARG 2 HH11 ARG 66 3.876 -1.956 -1.926 470 HH12 ARG 2 HH12 ARG 66 2.304 -2.570 -2.359 471 HH21 ARG 2 HH21 ARG 66 0.632 0.360 -1.580 472 HH22 ARG 2 HH22 ARG 66 0.500 -1.285 -2.155 473 H THR 3 H THR 67 -1.700 4.769 -1.014 474 HA THR 3 HA THR 67 -2.652 2.162 -2.161 475 HB THR 3 HB THR 67 -4.909 2.867 -1.518 476 HG1 THR 3 HG1 THR 67 -5.213 4.681 -0.272 477 HG21 THR 3 HG21 THR 67 -3.055 3.047 0.898 478 HG22 THR 3 HG22 THR 67 -3.538 1.528 0.109 479 HG23 THR 3 HG23 THR 67 -4.760 2.556 0.882 480 HH31 ALY 4 H26 ALY 68 -4.140 13.426 -6.036 481 HH32 ALY 4 H27 ALY 68 -4.471 12.683 -4.451 482 HH33 ALY 4 H28 ALY 68 -4.745 11.757 -5.943 483 HZ ALY 4 HZ1 ALY 68 -3.358 10.376 -4.409 484 HE3 ALY 4 HE3 ALY 68 -0.470 10.935 -4.454 485 HE2 ALY 4 HE2 ALY 68 -1.284 9.607 -3.619 486 HD3 ALY 4 HD3 ALY 68 -0.931 9.800 -6.644 487 HD2 ALY 4 HD2 ALY 68 0.169 8.916 -5.586 488 HG3 ALY 4 HG3 ALY 68 -2.804 8.274 -5.785 489 HG2 ALY 4 HG2 ALY 68 -1.581 7.553 -6.835 490 HB3 ALY 4 HB3 ALY 68 -0.430 6.546 -4.932 491 HB2 ALY 4 HB2 ALY 68 -1.487 7.361 -3.793 492 HCA ALY 4 HA ALY 68 -3.447 6.124 -4.955 493 H ALY 4 H ALY 68 -1.674 5.273 -2.949 494 H GLN 5 H GLN 69 -3.712 5.701 -7.121 495 HA GLN 5 HA GLN 69 -2.758 3.191 -8.189 496 HB2 GLN 5 HB2 GLN 69 -4.249 5.490 -9.523 497 HB3 GLN 5 HB3 GLN 69 -3.942 3.908 -10.253 498 HG2 GLN 5 HG2 GLN 69 -5.191 2.820 -8.378 499 HG3 GLN 5 HG3 GLN 69 -5.592 4.415 -7.735 500 HE21 GLN 5 HE21 GLN 69 -7.763 2.949 -8.188 501 HE22 GLN 5 HE22 GLN 69 -8.551 3.406 -9.692 502 H THR 6 H THR 70 -1.457 2.779 -10.004 503 HA THR 6 HA THR 70 0.912 4.453 -10.242 504 HB THR 6 HB THR 70 1.714 2.634 -11.730 505 HG1 THR 6 HG1 THR 70 0.385 0.837 -12.032 506 HG21 THR 6 HG21 THR 70 0.435 1.546 -9.182 507 HG22 THR 6 HG22 THR 70 1.965 2.446 -9.253 508 HG23 THR 6 HG23 THR 70 1.829 0.876 -10.059 509 H ALA 7 H ALA 71 -2.019 4.648 -11.881 510 HA ALA 7 HA ALA 71 -1.186 4.958 -14.581 511 HB1 ALA 7 HB1 ALA 71 -3.492 5.753 -14.909 512 HB2 ALA 7 HB2 ALA 71 -3.688 5.970 -13.159 513 HB3 ALA 7 HB3 ALA 71 -3.460 4.337 -13.844 514 H ARG 8 H ARG 72 -0.548 7.129 -12.072 515 HA ARG 8 HA ARG 72 0.091 9.342 -13.934 516 HB2 ARG 8 HB2 ARG 72 -1.550 9.673 -11.384 517 HB3 ARG 8 HB3 ARG 72 -0.792 11.001 -12.259 518 HG2 ARG 8 HG2 ARG 72 -2.980 9.187 -13.379 519 HG3 ARG 8 HG3 ARG 72 -3.208 10.806 -12.724 520 HD2 ARG 8 HD2 ARG 72 -1.755 11.759 -14.470 521 HD3 ARG 8 HD3 ARG 72 -1.490 10.165 -15.162 522 HE ARG 8 HE ARG 72 -3.925 11.814 -15.317 523 HH11 ARG 8 HH11 ARG 72 -5.462 11.291 -16.803 524 HH12 ARG 8 HH12 ARG 72 -5.430 9.746 -17.605 525 HH21 ARG 8 HH21 ARG 72 -2.624 8.604 -15.966 526 HH22 ARG 8 HH22 ARG 72 -3.858 8.274 -17.160 Start of MODEL 17 1 H1 GLY 811 H1 GLY 1 -7.114 28.711 1.994 2 H2 GLY 811 H2 GLY 1 -8.206 28.052 0.967 3 H3 GLY 811 H3 GLY 1 -7.337 29.360 0.505 4 HA2 GLY 811 HA2 GLY 1 -6.469 27.395 -0.579 5 HA3 GLY 811 HA3 GLY 1 -5.278 28.109 0.522 6 HA PRO 812 HA PRO 2 -6.049 23.537 1.201 7 HB2 PRO 812 HB2 PRO 2 -3.045 23.427 0.904 8 HB3 PRO 812 HB3 PRO 2 -4.272 22.264 0.321 9 HG2 PRO 812 HG2 PRO 2 -3.156 24.019 -1.401 10 HG3 PRO 812 HG3 PRO 2 -4.940 23.793 -1.433 11 HD2 PRO 812 HD2 PRO 2 -3.350 25.964 -0.024 12 HD3 PRO 812 HD3 PRO 2 -4.748 26.138 -1.127 13 H LEU 813 H LEU 3 -4.038 25.721 2.913 14 HA LEU 813 HA LEU 3 -2.632 24.154 4.697 15 HB2 LEU 813 HB2 LEU 3 -3.908 26.816 5.386 16 HB3 LEU 813 HB3 LEU 3 -2.566 26.060 6.230 17 HG LEU 813 HG LEU 3 -2.524 27.156 3.382 18 HD11 LEU 813 HD11 LEU 3 -1.162 28.053 5.954 19 HD12 LEU 813 HD12 LEU 3 -2.556 28.846 5.188 20 HD13 LEU 813 HD13 LEU 3 -0.991 28.822 4.359 21 HD21 LEU 813 HD21 LEU 3 -0.072 26.757 3.477 22 HD22 LEU 813 HD22 LEU 3 -0.987 25.247 3.509 23 HD23 LEU 813 HD23 LEU 3 -0.279 25.893 5.014 24 H GLY 814 H GLY 4 -3.057 22.780 6.219 25 HA2 GLY 814 HA2 GLY 4 -4.029 21.681 8.001 26 HA3 GLY 814 HA3 GLY 4 -5.093 23.064 8.247 27 H SER 815 H SER 5 -5.425 21.866 5.061 28 HA SER 815 HA SER 5 -7.540 19.928 5.681 29 HB2 SER 815 HB2 SER 5 -8.462 22.299 5.635 30 HB3 SER 815 HB3 SER 5 -8.073 22.329 3.905 31 HG SER 815 HG SER 5 -10.260 21.671 4.332 32 H VAL 816 H VAL 6 -4.812 19.886 4.404 33 HA VAL 816 HA VAL 6 -4.920 19.608 1.600 34 HB VAL 816 HB VAL 6 -3.062 18.434 3.718 35 HG11 VAL 816 HG11 VAL 6 -1.342 18.469 2.002 36 HG12 VAL 816 HG12 VAL 6 -2.566 18.913 0.790 37 HG13 VAL 816 HG13 VAL 6 -2.661 17.339 1.654 38 HG21 VAL 816 HG21 VAL 6 -2.741 21.000 2.128 39 HG22 VAL 816 HG22 VAL 6 -1.649 20.315 3.376 40 HG23 VAL 816 HG23 VAL 6 -3.212 20.933 3.840 41 H GLN 817 H GLN 7 -5.575 18.034 0.303 42 HA GLN 817 HA GLN 7 -6.156 15.345 1.452 43 HB2 GLN 817 HB2 GLN 7 -7.564 15.075 -0.497 44 HB3 GLN 817 HB3 GLN 7 -8.041 16.455 0.485 45 HG2 GLN 817 HG2 GLN 7 -7.996 17.798 -1.265 46 HG3 GLN 817 HG3 GLN 7 -6.292 17.553 -1.476 47 HE21 GLN 817 HE21 GLN 7 -9.097 15.247 -2.154 48 HE22 GLN 817 HE22 GLN 7 -8.657 15.112 -3.844 49 H HIS 818 H HIS 8 -4.878 13.633 0.954 50 HA HIS 818 HA HIS 8 -3.282 13.750 -1.598 51 HB2 HIS 818 HB2 HIS 8 -2.436 12.989 1.173 52 HB3 HIS 818 HB3 HIS 8 -1.758 12.149 -0.224 53 HD2 HIS 818 HD2 HIS 8 -1.281 15.335 1.666 54 HE1 HIS 818 HE1 HIS 8 0.520 16.037 -2.136 55 HE2 HIS 818 HE2 HIS 8 0.180 16.988 0.178 56 H VAL 819 H VAL 9 -5.040 12.851 -2.663 57 HA VAL 819 HA VAL 9 -6.013 10.217 -2.117 58 HB VAL 819 HB VAL 9 -6.365 11.809 -4.643 59 HG11 VAL 819 HG11 VAL 9 -8.379 10.313 -4.800 60 HG12 VAL 819 HG12 VAL 9 -7.791 9.411 -3.380 61 HG13 VAL 819 HG13 VAL 9 -6.870 9.389 -4.897 62 HG21 VAL 819 HG21 VAL 9 -7.240 13.017 -2.651 63 HG22 VAL 819 HG22 VAL 9 -8.021 11.531 -2.073 64 HG23 VAL 819 HG23 VAL 9 -8.581 12.321 -3.567 65 H GLY 820 H GLY 10 -4.076 9.269 -1.709 66 HA2 GLY 820 HA2 GLY 10 -3.081 7.296 -3.294 67 HA3 GLY 820 HA3 GLY 10 -2.174 8.700 -3.827 68 H PHE 821 H PHE 11 -2.718 9.327 -0.571 69 HA PHE 821 HA PHE 11 -0.489 7.543 0.380 70 HB2 PHE 821 HB2 PHE 11 -0.822 10.396 1.315 71 HB3 PHE 821 HB3 PHE 11 0.465 9.278 1.714 72 HD1 PHE 821 HD1 PHE 11 1.315 8.273 -1.006 73 HD2 PHE 821 HD2 PHE 11 0.383 12.191 0.488 74 HE1 PHE 821 HE1 PHE 11 2.584 9.288 -2.874 75 HE2 PHE 821 HE2 PHE 11 1.622 13.212 -1.394 76 HZ PHE 821 HZ PHE 11 2.693 11.791 -3.088 77 H LYS 822 H LYS 12 -1.823 6.086 1.274 78 HA LYS 822 HA LYS 12 -3.904 6.811 3.317 79 HB2 LYS 822 HB2 LYS 12 -4.577 5.105 1.918 80 HB3 LYS 822 HB3 LYS 12 -3.049 4.427 1.744 81 HG2 LYS 822 HG2 LYS 12 -4.036 4.107 4.567 82 HG3 LYS 822 HG3 LYS 12 -5.196 3.564 3.382 83 HD2 LYS 822 HD2 LYS 12 -3.385 2.166 2.297 84 HD3 LYS 822 HD3 LYS 12 -2.304 2.677 3.607 85 HE2 LYS 822 HE2 LYS 12 -3.211 0.437 3.945 86 HE3 LYS 822 HE3 LYS 12 -3.606 1.552 5.261 87 HZ1 LYS 822 HZ1 LYS 12 -5.521 0.134 4.516 88 HZ2 LYS 822 HZ2 LYS 12 -5.536 0.905 3.074 89 HZ3 LYS 822 HZ3 LYS 12 -5.856 1.728 4.462 90 H CYS 823 H CYS 13 -3.534 6.493 5.508 91 HA CYS 823 HA CYS 13 -0.894 6.714 6.563 92 HB2 CYS 823 HB2 CYS 13 -2.929 7.733 7.500 93 HB3 CYS 823 HB3 CYS 13 -3.579 6.127 7.780 94 H ASP 824 H ASP 14 0.168 5.424 7.985 95 HA ASP 824 HA ASP 14 -0.124 2.455 7.742 96 HB2 ASP 824 HB2 ASP 14 2.200 4.262 8.475 97 HB3 ASP 824 HB3 ASP 14 2.219 2.527 8.737 98 H ASN 825 H ASN 15 -0.139 5.065 10.126 99 HA ASN 825 HA ASN 15 0.085 3.362 12.469 100 HB2 ASN 825 HB2 ASN 15 0.495 5.785 12.601 101 HB3 ASN 825 HB3 ASN 15 -1.217 6.086 12.163 102 HD21 ASN 825 HD21 ASN 15 -1.880 7.085 14.069 103 HD22 ASN 825 HD22 ASN 15 -1.829 6.263 15.638 104 H CYS 826 H CYS 16 -2.817 4.868 10.932 105 HA CYS 826 HA CYS 16 -4.509 2.927 12.396 106 HB2 CYS 826 HB2 CYS 16 -6.078 4.572 12.713 107 HB3 CYS 826 HB3 CYS 16 -4.557 5.397 13.012 108 H GLY 827 H GLY 17 -3.536 3.707 9.195 109 HA2 GLY 827 HA2 GLY 17 -3.848 2.315 7.410 110 HA3 GLY 827 HA3 GLY 17 -5.218 1.561 8.192 111 H ILE 828 H ILE 18 -5.686 4.871 8.466 112 HA ILE 828 HA ILE 18 -7.906 4.886 6.810 113 HB ILE 828 HB ILE 18 -7.693 6.396 8.671 114 HG12 ILE 828 HG12 ILE 18 -7.830 8.066 6.130 115 HG13 ILE 828 HG13 ILE 18 -9.125 7.015 6.628 116 HG21 ILE 828 HG21 ILE 18 -5.250 6.928 8.494 117 HG22 ILE 828 HG22 ILE 18 -6.259 8.332 8.668 118 HG23 ILE 828 HG23 ILE 18 -5.572 7.933 7.079 119 HD11 ILE 828 HD11 ILE 18 -9.325 8.285 8.780 120 HD12 ILE 828 HD12 ILE 18 -9.680 9.235 7.324 121 HD13 ILE 828 HD13 ILE 18 -8.130 9.444 8.148 122 H GLU 829 H GLU 19 -8.370 5.558 4.861 123 HA GLU 829 HA GLU 19 -6.422 5.340 2.770 124 HB2 GLU 829 HB2 GLU 19 -9.188 6.435 2.642 125 HB3 GLU 829 HB3 GLU 19 -8.324 5.751 1.308 126 HG2 GLU 829 HG2 GLU 19 -9.521 4.222 3.633 127 HG3 GLU 829 HG3 GLU 19 -9.977 4.134 1.942 128 HA PRO 830 HA PRO 20 -4.671 9.128 1.361 129 HB2 PRO 830 HB2 PRO 20 -7.584 9.695 0.746 130 HB3 PRO 830 HB3 PRO 20 -6.110 10.155 -0.135 131 HG2 PRO 830 HG2 PRO 20 -7.640 7.816 -0.470 132 HG3 PRO 830 HG3 PRO 20 -6.045 8.110 -1.221 133 HD2 PRO 830 HD2 PRO 20 -6.383 6.146 0.656 134 HD3 PRO 830 HD3 PRO 20 -4.874 7.042 0.423 135 H ILE 831 H ILE 21 -3.879 9.847 3.217 136 HA ILE 831 HA ILE 21 -5.110 10.909 5.441 137 HB ILE 831 HB ILE 21 -2.423 11.532 4.163 138 HG12 ILE 831 HG12 ILE 21 -2.935 9.840 6.642 139 HG13 ILE 831 HG13 ILE 21 -3.105 9.139 5.056 140 HG21 ILE 831 HG21 ILE 21 -1.711 12.342 6.469 141 HG22 ILE 831 HG22 ILE 21 -3.422 12.350 6.922 142 HG23 ILE 831 HG23 ILE 21 -2.824 13.416 5.633 143 HD11 ILE 831 HD11 ILE 21 -0.859 8.763 5.947 144 HD12 ILE 831 HD12 ILE 21 -0.564 10.504 5.999 145 HD13 ILE 831 HD13 ILE 21 -0.834 9.703 4.439 146 H GLN 832 H GLN 22 -5.808 12.748 6.209 147 HA GLN 832 HA GLN 22 -6.159 15.022 4.310 148 HB2 GLN 832 HB2 GLN 22 -7.959 14.180 6.599 149 HB3 GLN 832 HB3 GLN 22 -8.232 15.518 5.483 150 HG2 GLN 832 HG2 GLN 22 -8.122 12.578 4.669 151 HG3 GLN 832 HG3 GLN 22 -9.583 13.480 4.988 152 HE21 GLN 832 HE21 GLN 22 -7.918 12.319 2.457 153 HE22 GLN 832 HE22 GLN 22 -8.408 13.525 1.264 154 H GLY 833 H GLY 23 -5.518 16.990 4.891 155 HA2 GLY 833 HA2 GLY 23 -5.628 18.763 6.653 156 HA3 GLY 833 HA3 GLY 23 -4.871 17.635 7.743 157 H VAL 834 H VAL 24 -2.829 16.655 6.864 158 HA VAL 834 HA VAL 24 -0.989 18.280 5.313 159 HB VAL 834 HB VAL 24 -1.076 19.202 7.643 160 HG11 VAL 834 HG11 VAL 24 -1.582 17.128 8.832 161 HG12 VAL 834 HG12 VAL 24 -0.237 18.045 9.533 162 HG13 VAL 834 HG13 VAL 24 0.100 16.591 8.561 163 HG21 VAL 834 HG21 VAL 24 1.026 19.483 6.443 164 HG22 VAL 834 HG22 VAL 24 1.567 17.853 6.953 165 HG23 VAL 834 HG23 VAL 24 1.359 19.159 8.140 166 H ARG 835 H ARG 25 0.641 16.820 4.439 167 HA ARG 835 HA ARG 25 0.227 13.914 5.062 168 HB2 ARG 835 HB2 ARG 25 0.615 14.667 2.679 169 HB3 ARG 835 HB3 ARG 25 2.204 15.227 3.173 170 HG2 ARG 835 HG2 ARG 25 2.630 12.768 3.945 171 HG3 ARG 835 HG3 ARG 25 1.192 12.384 2.994 172 HD2 ARG 835 HD2 ARG 25 2.324 13.411 0.993 173 HD3 ARG 835 HD3 ARG 25 3.746 13.735 2.000 174 HE ARG 835 HE ARG 25 3.190 10.997 2.332 175 HH11 ARG 835 HH11 ARG 25 4.419 12.945 -0.341 176 HH12 ARG 835 HH12 ARG 25 5.282 11.574 -0.976 177 HH21 ARG 835 HH21 ARG 25 4.189 9.473 1.559 178 HH22 ARG 835 HH22 ARG 25 5.128 9.548 0.087 179 H TRP 836 H TRP 26 1.577 12.820 6.472 180 HA TRP 836 HA TRP 26 4.150 14.167 7.243 181 HB2 TRP 836 HB2 TRP 26 2.473 12.173 8.766 182 HB3 TRP 836 HB3 TRP 26 4.137 12.482 9.116 183 HD1 TRP 836 HD1 TRP 26 0.811 14.107 9.520 184 HE1 TRP 836 HE1 TRP 26 1.097 16.274 10.981 185 HE3 TRP 836 HE3 TRP 26 5.838 14.544 9.302 186 HZ2 TRP 836 HZ2 TRP 26 3.293 17.632 12.243 187 HZ3 TRP 836 HZ3 TRP 26 7.067 16.105 10.791 188 HH2 TRP 836 HH2 TRP 26 5.818 17.602 12.300 189 H HIS 837 H HIS 27 5.353 13.624 5.553 190 HA HIS 837 HA HIS 27 5.582 10.795 4.602 191 HB2 HIS 837 HB2 HIS 27 5.611 12.529 2.896 192 HB3 HIS 837 HB3 HIS 27 6.849 13.442 3.762 193 HD2 HIS 837 HD2 HIS 27 9.204 13.153 2.801 194 HE1 HIS 837 HE1 HIS 27 8.880 9.241 1.131 195 HE2 HIS 837 HE2 HIS 27 10.419 11.249 1.447 196 H CYS 838 H CYS 28 7.092 9.425 5.454 197 HA CYS 838 HA CYS 28 8.921 10.300 7.530 198 HB2 CYS 838 HB2 CYS 28 7.718 8.136 7.340 199 HB3 CYS 838 HB3 CYS 28 8.855 7.780 6.028 200 H GLN 839 H GLN 29 10.925 10.942 7.378 201 HA GLN 839 HA GLN 29 11.908 11.818 4.820 202 HB2 GLN 839 HB2 GLN 29 13.179 11.808 7.586 203 HB3 GLN 839 HB3 GLN 29 13.888 12.573 6.169 204 HG2 GLN 839 HG2 GLN 29 11.742 13.905 5.893 205 HG3 GLN 839 HG3 GLN 29 11.269 13.362 7.500 206 HE21 GLN 839 HE21 GLN 29 12.403 16.017 6.052 207 HE22 GLN 839 HE22 GLN 29 13.506 16.604 7.298 208 H ASP 840 H ASP 30 12.792 9.077 6.954 209 HA ASP 840 HA ASP 30 15.127 8.472 5.185 210 HB2 ASP 840 HB2 ASP 30 15.279 8.698 7.735 211 HB3 ASP 840 HB3 ASP 30 14.202 7.374 7.780 212 H CYS 841 H CYS 31 11.900 7.184 5.967 213 HA CYS 841 HA CYS 31 12.322 4.512 5.021 214 HB2 CYS 841 HB2 CYS 31 9.881 6.248 5.222 215 HB3 CYS 841 HB3 CYS 31 9.810 4.744 4.353 216 HA PRO 842 HA PRO 32 13.028 5.495 0.743 217 HB2 PRO 842 HB2 PRO 32 12.877 3.056 -0.464 218 HB3 PRO 842 HB3 PRO 32 14.162 3.475 0.704 219 HG2 PRO 842 HG2 PRO 32 11.598 1.950 1.242 220 HG3 PRO 842 HG3 PRO 32 13.267 1.526 1.733 221 HD2 PRO 842 HD2 PRO 32 11.498 2.828 3.398 222 HD3 PRO 842 HD3 PRO 32 13.262 3.092 3.468 223 HA PRO 843 HA PRO 33 9.101 6.286 -1.239 224 HB2 PRO 843 HB2 PRO 33 10.510 5.488 -3.804 225 HB3 PRO 843 HB3 PRO 33 9.446 6.893 -3.500 226 HG2 PRO 843 HG2 PRO 33 12.114 7.240 -3.506 227 HG3 PRO 843 HG3 PRO 33 11.149 7.971 -2.177 228 HD2 PRO 843 HD2 PRO 33 12.737 5.388 -2.141 229 HD3 PRO 843 HD3 PRO 33 12.685 6.710 -0.935 230 H GLU 844 H GLU 34 10.722 3.276 -2.167 231 HA GLU 844 HA GLU 34 8.558 1.830 -3.267 232 HB2 GLU 844 HB2 GLU 34 10.924 1.179 -3.367 233 HB3 GLU 844 HB3 GLU 34 10.937 0.862 -1.625 234 HG2 GLU 844 HG2 GLU 34 9.444 -1.022 -1.882 235 HG3 GLU 844 HG3 GLU 34 9.060 -0.566 -3.545 236 H MET 845 H MET 35 9.329 2.471 0.095 237 HA MET 845 HA MET 35 7.061 0.790 1.078 238 HB2 MET 845 HB2 MET 35 9.225 2.354 2.533 239 HB3 MET 845 HB3 MET 35 7.920 1.458 3.321 240 HG2 MET 845 HG2 MET 35 9.983 0.218 1.470 241 HG3 MET 845 HG3 MET 35 10.094 0.248 3.223 242 HE1 MET 845 HE1 MET 35 8.798 -1.253 4.863 243 HE2 MET 845 HE2 MET 35 7.428 -2.290 4.427 244 HE3 MET 845 HE3 MET 35 7.243 -0.528 4.383 245 H SER 846 H SER 36 8.227 4.160 1.180 246 HA SER 846 HA SER 36 7.306 6.133 1.856 247 HB2 SER 846 HB2 SER 36 6.559 5.962 -0.438 248 HB3 SER 846 HB3 SER 36 5.084 5.124 0.066 249 HG SER 846 HG SER 36 4.403 6.972 1.125 250 H LEU 847 H LEU 37 7.156 5.476 4.165 251 HA LEU 847 HA LEU 37 4.454 4.745 5.056 252 HB2 LEU 847 HB2 LEU 37 7.076 4.954 6.542 253 HB3 LEU 847 HB3 LEU 37 5.547 5.103 7.398 254 HG LEU 847 HG LEU 37 4.964 2.910 5.883 255 HD11 LEU 847 HD11 LEU 37 7.897 2.550 6.432 256 HD12 LEU 847 HD12 LEU 37 7.173 2.853 4.849 257 HD13 LEU 847 HD13 LEU 37 6.764 1.372 5.745 258 HD21 LEU 847 HD21 LEU 37 4.798 3.188 8.376 259 HD22 LEU 847 HD22 LEU 37 6.430 2.469 8.424 260 HD23 LEU 847 HD23 LEU 37 5.075 1.588 7.703 261 H ASP 848 H ASP 38 3.028 5.969 6.172 262 HA ASP 848 HA ASP 38 3.452 8.894 6.109 263 HB2 ASP 848 HB2 ASP 38 1.186 7.492 4.655 264 HB3 ASP 848 HB3 ASP 38 1.379 9.221 4.889 265 H PHE 849 H PHE 39 2.095 10.079 7.436 266 HA PHE 849 HA PHE 39 0.072 8.588 9.034 267 HB2 PHE 849 HB2 PHE 39 2.141 10.383 10.352 268 HB3 PHE 849 HB3 PHE 39 0.949 9.350 11.098 269 HD1 PHE 849 HD1 PHE 39 1.120 6.896 10.920 270 HD2 PHE 849 HD2 PHE 39 4.253 9.433 9.464 271 HE1 PHE 849 HE1 PHE 39 2.647 4.927 10.832 272 HE2 PHE 849 HE2 PHE 39 5.752 7.477 9.264 273 HZ PHE 849 HZ PHE 39 4.958 5.201 9.956 274 H CYS 850 H CYS 40 -1.647 9.706 9.897 275 HA CYS 850 HA CYS 40 -2.429 12.175 8.813 276 HB2 CYS 850 HB2 CYS 40 -3.308 10.792 11.385 277 HB3 CYS 850 HB3 CYS 40 -4.252 11.976 10.482 278 H ASP 851 H ASP 41 -3.136 14.090 10.137 279 HA ASP 851 HA ASP 41 -1.030 15.489 11.378 280 HB2 ASP 851 HB2 ASP 41 -2.625 17.145 11.862 281 HB3 ASP 851 HB3 ASP 41 -3.069 16.463 10.317 282 H SER 852 H SER 42 -3.369 13.302 12.828 283 HA SER 852 HA SER 42 -2.454 13.820 15.562 284 HB2 SER 852 HB2 SER 42 -4.836 13.397 15.120 285 HB3 SER 852 HB3 SER 42 -4.436 11.793 14.478 286 HG SER 852 HG SER 42 -5.091 11.765 16.712 287 H CYS 853 H CYS 43 -2.164 11.214 13.094 288 HA CYS 853 HA CYS 43 -1.032 9.289 14.872 289 HB2 CYS 853 HB2 CYS 43 -1.200 9.519 11.874 290 HB3 CYS 853 HB3 CYS 43 -0.653 8.100 12.726 291 H SER 854 H SER 44 0.322 11.878 12.972 292 HA SER 854 HA SER 44 3.039 10.998 12.729 293 HB2 SER 854 HB2 SER 44 3.471 13.321 12.311 294 HB3 SER 854 HB3 SER 44 1.913 12.914 11.607 295 HG SER 854 HG SER 44 1.900 14.900 12.858 296 H ASP 855 H ASP 45 1.186 11.960 15.514 297 HA ASP 855 HA ASP 45 3.498 12.469 17.216 298 HB2 ASP 855 HB2 ASP 45 1.204 13.560 17.499 299 HB3 ASP 855 HB3 ASP 45 0.620 11.985 18.042 300 H CYS 856 H CYS 46 2.072 9.688 15.908 301 HA CYS 856 HA CYS 46 2.496 7.885 18.145 302 HB2 CYS 856 HB2 CYS 46 0.785 7.556 16.208 303 HB3 CYS 856 HB3 CYS 46 2.183 7.120 15.221 304 HG CYS 856 HG CYS 46 0.895 4.943 16.116 305 H LEU 857 H LEU 47 4.180 6.414 18.246 306 HA LEU 857 HA LEU 47 6.538 6.932 16.494 307 HB2 LEU 857 HB2 LEU 47 6.934 7.569 18.812 308 HB3 LEU 857 HB3 LEU 47 6.627 5.917 19.351 309 HG LEU 857 HG LEU 47 8.601 5.088 18.236 310 HD11 LEU 857 HD11 LEU 47 10.102 6.790 17.013 311 HD12 LEU 857 HD12 LEU 47 8.688 7.836 16.926 312 HD13 LEU 857 HD13 LEU 47 8.665 6.224 16.145 313 HD21 LEU 857 HD21 LEU 47 8.911 6.258 20.405 314 HD22 LEU 857 HD22 LEU 47 9.244 7.772 19.533 315 HD23 LEU 857 HD23 LEU 47 10.335 6.380 19.371 316 H HIS 858 H HIS 48 5.489 5.698 14.963 317 HA HIS 858 HA HIS 48 5.039 2.825 15.488 318 HB2 HIS 858 HB2 HIS 48 3.252 4.127 14.361 319 HB3 HIS 858 HB3 HIS 48 4.374 4.568 13.072 320 HD2 HIS 858 HD2 HIS 48 4.302 3.022 10.983 321 HE1 HIS 858 HE1 HIS 48 2.593 -0.474 12.728 322 HE2 HIS 858 HE2 HIS 48 3.382 0.587 10.556 323 H GLU 859 H GLU 49 6.044 1.168 14.208 324 HA GLU 859 HA GLU 49 8.255 1.950 12.474 325 HB2 GLU 859 HB2 GLU 49 8.698 -0.057 14.738 326 HB3 GLU 859 HB3 GLU 49 9.898 0.585 13.672 327 HG2 GLU 859 HG2 GLU 49 9.643 2.833 14.734 328 HG3 GLU 859 HG3 GLU 49 8.401 2.149 15.778 329 H THR 860 H THR 50 9.045 0.331 11.060 330 HA THR 860 HA THR 50 7.548 -2.283 11.099 331 HB THR 860 HB THR 50 7.254 -2.317 8.777 332 HG1 THR 860 HG1 THR 50 7.989 -0.615 7.451 333 HG21 THR 860 HG21 THR 50 5.562 -0.980 10.027 334 HG22 THR 860 HG22 THR 50 5.763 -0.467 8.336 335 HG23 THR 860 HG23 THR 50 6.452 0.496 9.667 336 H ASP 861 H ASP 51 9.083 -3.082 8.689 337 HA ASP 861 HA ASP 51 11.484 -4.137 9.956 338 HB2 ASP 861 HB2 ASP 51 10.408 -4.349 7.177 339 HB3 ASP 861 HB3 ASP 51 11.829 -5.190 7.764 340 H ILE 862 H ILE 52 10.592 -1.539 7.793 341 HA ILE 862 HA ILE 52 13.427 -0.732 7.521 342 HB ILE 862 HB ILE 52 11.074 -0.167 5.733 343 HG12 ILE 862 HG12 ILE 52 13.750 -1.659 5.548 344 HG13 ILE 862 HG13 ILE 52 12.149 -2.390 5.547 345 HG21 ILE 862 HG21 ILE 52 13.817 1.111 6.001 346 HG22 ILE 862 HG22 ILE 52 12.233 1.918 5.897 347 HG23 ILE 862 HG23 ILE 52 12.915 1.134 4.471 348 HD11 ILE 862 HD11 ILE 52 11.641 -1.316 3.408 349 HD12 ILE 862 HD12 ILE 52 13.011 -2.438 3.342 350 HD13 ILE 862 HD13 ILE 52 13.323 -0.696 3.353 351 H HIS 863 H HIS 53 10.149 0.371 8.387 352 HA HIS 863 HA HIS 53 11.002 3.093 8.992 353 HB2 HIS 863 HB2 HIS 53 8.750 2.807 8.401 354 HB3 HIS 863 HB3 HIS 53 8.482 1.463 9.399 355 HD1 HIS 863 HD1 HIS 53 9.804 3.750 12.036 356 HD2 HIS 863 HD2 HIS 53 6.771 4.064 10.782 357 HE1 HIS 863 HE1 HIS 53 9.556 6.132 11.423 358 H LYS 864 H LYS 54 12.038 3.699 10.838 359 HA LYS 864 HA LYS 54 11.416 2.146 13.309 360 HB2 LYS 864 HB2 LYS 54 14.182 2.948 12.328 361 HB3 LYS 864 HB3 LYS 54 13.762 2.286 13.896 362 HG2 LYS 864 HG2 LYS 54 13.435 0.822 11.181 363 HG3 LYS 864 HG3 LYS 54 14.782 0.645 12.273 364 HD2 LYS 864 HD2 LYS 54 13.237 -0.275 14.039 365 HD3 LYS 864 HD3 LYS 54 11.937 -0.189 12.911 366 HE2 LYS 864 HE2 LYS 54 12.592 -2.361 12.635 367 HE3 LYS 864 HE3 LYS 54 13.358 -1.564 11.275 368 HZ1 LYS 864 HZ1 LYS 54 14.906 -3.072 12.421 369 HZ2 LYS 864 HZ2 LYS 54 14.717 -2.287 13.840 370 HZ3 LYS 864 HZ3 LYS 54 15.460 -1.547 12.579 371 H GLU 865 H GLU 55 12.117 3.198 15.329 372 HA GLU 865 HA GLU 55 11.521 5.994 15.452 373 HB2 GLU 865 HB2 GLU 55 11.959 5.752 17.796 374 HB3 GLU 865 HB3 GLU 55 11.127 4.312 17.223 375 HG2 GLU 865 HG2 GLU 55 13.431 3.188 17.087 376 HG3 GLU 865 HG3 GLU 55 14.104 4.617 17.868 377 H ASP 866 H ASP 56 14.268 4.611 14.196 378 HA ASP 866 HA ASP 56 16.367 6.297 15.224 379 HB2 ASP 866 HB2 ASP 56 16.090 4.534 12.821 380 HB3 ASP 866 HB3 ASP 56 17.564 5.383 13.223 381 H HIS 867 H HIS 57 13.758 6.699 12.859 382 HA HIS 867 HA HIS 57 15.039 9.104 11.774 383 HB2 HIS 867 HB2 HIS 57 13.713 8.451 9.758 384 HB3 HIS 867 HB3 HIS 57 15.162 7.543 10.077 385 HD1 HIS 867 HD1 HIS 57 14.566 5.508 8.717 386 HD2 HIS 867 HD2 HIS 57 11.517 6.957 11.164 387 HE1 HIS 867 HE1 HIS 57 12.352 5.053 7.543 388 H GLN 868 H GLN 58 13.092 10.157 10.502 389 HA GLN 868 HA GLN 58 10.838 10.632 12.256 390 HB2 GLN 868 HB2 GLN 58 11.320 12.909 12.840 391 HB3 GLN 868 HB3 GLN 58 12.632 11.886 13.386 392 HG2 GLN 868 HG2 GLN 58 12.682 13.631 10.885 393 HG3 GLN 868 HG3 GLN 58 13.399 14.051 12.436 394 HE21 GLN 868 HE21 GLN 58 14.420 13.221 9.516 395 HE22 GLN 868 HE22 GLN 58 15.719 12.091 9.922 396 H LEU 869 H LEU 59 9.473 12.456 11.520 397 HA LEU 869 HA LEU 59 8.954 12.091 8.611 398 HB2 LEU 869 HB2 LEU 59 7.077 13.249 10.684 399 HB3 LEU 869 HB3 LEU 59 6.694 12.522 9.127 400 HG LEU 869 HG LEU 59 5.810 11.136 10.682 401 HD11 LEU 869 HD11 LEU 59 6.970 9.023 10.509 402 HD12 LEU 869 HD12 LEU 59 8.456 9.844 10.004 403 HD13 LEU 869 HD13 LEU 59 6.980 9.936 8.978 404 HD21 LEU 869 HD21 LEU 59 7.003 11.977 12.711 405 HD22 LEU 869 HD22 LEU 59 8.339 10.861 12.326 406 HD23 LEU 869 HD23 LEU 59 6.722 10.236 12.661 407 H GLU 870 H GLU 60 8.012 13.766 7.333 408 HA GLU 870 HA GLU 60 8.505 16.505 8.370 409 HB2 GLU 870 HB2 GLU 60 9.209 17.248 6.230 410 HB3 GLU 870 HB3 GLU 60 10.289 16.052 6.909 411 HG2 GLU 870 HG2 GLU 60 9.448 14.356 5.357 412 HG3 GLU 870 HG3 GLU 60 8.231 15.483 4.738 413 HA PRO 871 HA PRO 61 4.233 16.966 7.304 414 HB2 PRO 871 HB2 PRO 61 3.827 19.555 7.959 415 HB3 PRO 871 HB3 PRO 61 4.211 18.315 9.193 416 HG2 PRO 871 HG2 PRO 61 6.095 20.299 7.885 417 HG3 PRO 871 HG3 PRO 61 5.953 19.885 9.622 418 HD2 PRO 871 HD2 PRO 61 7.828 18.758 7.916 419 HD3 PRO 871 HD3 PRO 61 7.166 17.925 9.348 420 H ILE 872 H ILE 62 3.018 17.572 5.501 421 HA ILE 872 HA ILE 62 4.169 19.584 3.613 422 HB ILE 872 HB ILE 62 2.534 17.276 2.671 423 HG12 ILE 872 HG12 ILE 62 4.506 16.222 3.852 424 HG13 ILE 872 HG13 ILE 62 4.318 15.828 2.183 425 HG21 ILE 872 HG21 ILE 62 4.604 19.046 1.298 426 HG22 ILE 872 HG22 ILE 62 2.861 19.251 1.206 427 HG23 ILE 872 HG23 ILE 62 3.602 17.804 0.514 428 HD11 ILE 872 HD11 ILE 62 6.675 16.297 2.907 429 HD12 ILE 872 HD12 ILE 62 6.206 17.997 3.156 430 HD13 ILE 872 HD13 ILE 62 6.134 17.284 1.529 431 H TYR 873 H TYR 63 2.911 21.226 3.430 432 HA TYR 873 HA TYR 63 0.192 21.159 4.509 433 HB2 TYR 873 HB2 TYR 63 2.111 23.438 3.950 434 HB3 TYR 873 HB3 TYR 63 0.498 23.614 4.619 435 HD1 TYR 873 HD1 TYR 63 3.960 22.995 5.427 436 HD2 TYR 873 HD2 TYR 63 -0.087 22.377 6.803 437 HE1 TYR 873 HE1 TYR 63 4.800 22.601 7.732 438 HE2 TYR 873 HE2 TYR 63 0.761 21.974 9.112 439 HH TYR 873 HH TYR 63 4.227 22.262 9.955 440 H ARG 874 H ARG 64 1.080 20.291 1.751 441 HA ARG 874 HA ARG 64 -1.231 21.237 0.290 442 HB2 ARG 874 HB2 ARG 64 0.061 21.973 -1.700 443 HB3 ARG 874 HB3 ARG 64 0.254 23.025 -0.291 444 HG2 ARG 874 HG2 ARG 64 2.465 22.118 0.175 445 HG3 ARG 874 HG3 ARG 64 2.265 20.865 -1.063 446 HD2 ARG 874 HD2 ARG 64 2.103 22.579 -2.808 447 HD3 ARG 874 HD3 ARG 64 2.274 23.859 -1.583 448 HE ARG 874 HE ARG 64 4.493 22.059 -1.394 449 HH11 ARG 874 HH11 ARG 64 3.335 24.562 -3.564 450 HH12 ARG 874 HH12 ARG 64 4.939 24.934 -4.133 451 HH21 ARG 874 HH21 ARG 64 6.506 22.594 -2.164 452 HH22 ARG 874 HH22 ARG 64 6.686 23.850 -3.351 453 H1 ALA 1 H1 ALA 65 0.728 5.431 3.471 454 H2 ALA 1 H2 ALA 65 2.294 5.824 3.147 455 H3 ALA 1 H3 ALA 65 1.947 4.734 4.332 456 HA ALA 1 HA ALA 65 2.790 3.657 2.389 457 HB1 ALA 1 HB1 ALA 65 -0.138 3.051 2.925 458 HB2 ALA 1 HB2 ALA 65 1.253 2.394 3.815 459 HB3 ALA 1 HB3 ALA 65 1.024 1.973 2.113 460 H ARG 2 H ARG 66 2.973 3.627 0.264 461 HA ARG 2 HA ARG 66 1.670 5.615 -1.357 462 HB2 ARG 2 HB2 ARG 66 2.899 4.371 -3.264 463 HB3 ARG 2 HB3 ARG 66 3.795 5.251 -2.050 464 HG2 ARG 2 HG2 ARG 66 4.884 3.173 -2.707 465 HG3 ARG 2 HG3 ARG 66 4.575 3.247 -0.987 466 HD2 ARG 2 HD2 ARG 66 2.711 1.661 -1.194 467 HD3 ARG 2 HD3 ARG 66 2.909 1.651 -2.967 468 HE ARG 2 HE ARG 66 5.410 0.988 -1.738 469 HH11 ARG 2 HH11 ARG 66 6.207 -0.960 -1.650 470 HH12 ARG 2 HH12 ARG 66 5.205 -2.387 -1.865 471 HH21 ARG 2 HH21 ARG 66 2.298 -0.553 -2.266 472 HH22 ARG 2 HH22 ARG 66 3.000 -2.146 -2.210 473 H THR 3 H THR 67 -0.208 5.638 -2.253 474 HA THR 3 HA THR 67 -1.149 3.297 -3.827 475 HB THR 3 HB THR 67 -3.490 3.817 -3.227 476 HG1 THR 3 HG1 THR 67 -3.924 5.145 -1.496 477 HG21 THR 3 HG21 THR 67 -1.882 3.268 -0.701 478 HG22 THR 3 HG22 THR 67 -2.236 2.053 -1.955 479 HG23 THR 3 HG23 THR 67 -3.560 2.806 -1.052 480 HH31 ALY 4 H26 ALY 68 -2.648 15.476 -5.109 481 HH32 ALY 4 H27 ALY 68 -1.026 15.338 -4.397 482 HH33 ALY 4 H28 ALY 68 -2.458 15.134 -3.372 483 HZ ALY 4 HZ1 ALY 68 -0.586 13.200 -3.276 484 HE3 ALY 4 HE3 ALY 68 -0.568 10.839 -3.293 485 HE2 ALY 4 HE2 ALY 68 -1.918 10.858 -4.441 486 HD3 ALY 4 HD3 ALY 68 -0.084 11.831 -6.110 487 HD2 ALY 4 HD2 ALY 68 1.054 11.060 -5.006 488 HG3 ALY 4 HG3 ALY 68 -1.311 9.679 -6.344 489 HG2 ALY 4 HG2 ALY 68 0.310 9.698 -7.026 490 HB3 ALY 4 HB3 ALY 68 1.199 8.286 -5.339 491 HB2 ALY 4 HB2 ALY 68 -0.123 8.597 -4.245 492 HCA ALY 4 HA ALY 68 -1.681 7.483 -5.954 493 H ALY 4 H ALY 68 0.243 6.083 -4.237 494 H GLN 5 H GLN 69 -1.888 5.761 -7.512 495 HA GLN 5 HA GLN 69 0.301 4.810 -9.113 496 HB2 GLN 5 HB2 GLN 69 -2.704 4.823 -9.608 497 HB3 GLN 5 HB3 GLN 69 -1.554 3.993 -10.642 498 HG2 GLN 5 HG2 GLN 69 -1.952 3.394 -7.668 499 HG3 GLN 5 HG3 GLN 69 -2.705 2.514 -8.988 500 HE21 GLN 5 HE21 GLN 69 0.243 0.511 -7.993 501 HE22 GLN 5 HE22 GLN 69 -1.284 0.987 -7.261 502 H THR 6 H THR 70 1.014 5.293 -11.148 503 HA THR 6 HA THR 70 0.885 8.037 -12.015 504 HB THR 6 HB THR 70 2.002 5.613 -13.467 505 HG1 THR 6 HG1 THR 70 3.276 7.379 -11.634 506 HG21 THR 6 HG21 THR 70 2.020 7.518 -14.964 507 HG22 THR 6 HG22 THR 70 3.664 7.246 -14.384 508 HG23 THR 6 HG23 THR 70 2.690 8.574 -13.706 509 H ALA 7 H ALA 71 -0.821 5.120 -13.091 510 HA ALA 7 HA ALA 71 -1.615 6.070 -15.666 511 HB1 ALA 7 HB1 ALA 71 -1.500 3.684 -15.029 512 HB2 ALA 7 HB2 ALA 71 -3.120 4.107 -15.617 513 HB3 ALA 7 HB3 ALA 71 -2.838 3.921 -13.877 514 H ARG 8 H ARG 72 -3.673 6.586 -16.448 515 HA ARG 8 HA ARG 72 -5.500 7.922 -16.659 516 HB2 ARG 8 HB2 ARG 72 -6.355 6.646 -14.035 517 HB3 ARG 8 HB3 ARG 72 -7.401 7.444 -15.198 518 HG2 ARG 8 HG2 ARG 72 -5.864 4.850 -15.618 519 HG3 ARG 8 HG3 ARG 72 -7.591 5.017 -15.363 520 HD2 ARG 8 HD2 ARG 72 -6.049 6.030 -17.786 521 HD3 ARG 8 HD3 ARG 72 -7.053 4.580 -17.717 522 HE ARG 8 HE ARG 72 -8.735 6.662 -16.920 523 HH11 ARG 8 HH11 ARG 72 -7.008 5.854 -19.856 524 HH12 ARG 8 HH12 ARG 72 -8.167 6.670 -20.874 525 HH21 ARG 8 HH21 ARG 72 -10.153 7.722 -18.265 526 HH22 ARG 8 HH22 ARG 72 -9.901 7.702 -19.983 Start of MODEL 18 1 H1 GLY 811 H1 GLY 1 0.627 29.608 2.533 2 H2 GLY 811 H2 GLY 1 1.522 29.167 1.231 3 H3 GLY 811 H3 GLY 1 1.549 28.258 2.592 4 HA2 GLY 811 HA2 GLY 1 -0.794 28.645 0.829 5 HA3 GLY 811 HA3 GLY 1 0.193 27.179 0.897 6 HA PRO 812 HA PRO 2 -3.582 26.955 3.718 7 HB2 PRO 812 HB2 PRO 2 -3.808 24.341 2.220 8 HB3 PRO 812 HB3 PRO 2 -5.112 25.411 2.817 9 HG2 PRO 812 HG2 PRO 2 -4.422 25.468 0.205 10 HG3 PRO 812 HG3 PRO 2 -4.638 27.026 1.073 11 HD2 PRO 812 HD2 PRO 2 -2.045 25.545 0.502 12 HD3 PRO 812 HD3 PRO 2 -2.446 27.271 0.225 13 H LEU 813 H LEU 3 -3.917 25.692 5.571 14 HA LEU 813 HA LEU 3 -2.560 23.174 5.978 15 HB2 LEU 813 HB2 LEU 3 -1.339 23.678 7.932 16 HB3 LEU 813 HB3 LEU 3 -0.757 24.713 6.651 17 HG LEU 813 HG LEU 3 -2.622 25.665 8.865 18 HD11 LEU 813 HD11 LEU 3 -0.461 24.906 9.767 19 HD12 LEU 813 HD12 LEU 3 -0.607 26.663 9.854 20 HD13 LEU 813 HD13 LEU 3 0.399 25.920 8.584 21 HD21 LEU 813 HD21 LEU 3 -0.971 27.137 6.763 22 HD22 LEU 813 HD22 LEU 3 -1.712 27.924 8.177 23 HD23 LEU 813 HD23 LEU 3 -2.736 27.174 6.956 24 H GLY 814 H GLY 4 -3.530 21.894 7.467 25 HA2 GLY 814 HA2 GLY 4 -4.899 21.340 9.329 26 HA3 GLY 814 HA3 GLY 4 -5.620 22.945 9.308 27 H SER 815 H SER 5 -5.861 22.265 6.183 28 HA SER 815 HA SER 5 -8.284 20.567 6.308 29 HB2 SER 815 HB2 SER 5 -7.894 23.168 4.801 30 HB3 SER 815 HB3 SER 5 -9.361 22.179 4.754 31 HG SER 815 HG SER 5 -9.700 22.624 6.950 32 H VAL 816 H VAL 6 -5.258 20.460 4.949 33 HA VAL 816 HA VAL 6 -5.885 20.117 2.162 34 HB VAL 816 HB VAL 6 -3.465 19.359 3.840 35 HG11 VAL 816 HG11 VAL 6 -2.175 19.379 1.867 36 HG12 VAL 816 HG12 VAL 6 -3.597 19.806 0.871 37 HG13 VAL 816 HG13 VAL 6 -3.498 18.229 1.688 38 HG21 VAL 816 HG21 VAL 6 -2.436 21.443 3.110 39 HG22 VAL 816 HG22 VAL 6 -3.934 21.829 3.936 40 HG23 VAL 816 HG23 VAL 6 -3.882 21.868 2.161 41 H GLN 817 H GLN 7 -6.560 18.351 1.105 42 HA GLN 817 HA GLN 7 -6.775 15.793 2.587 43 HB2 GLN 817 HB2 GLN 7 -8.144 15.138 0.661 44 HB3 GLN 817 HB3 GLN 7 -8.764 16.517 1.562 45 HG2 GLN 817 HG2 GLN 7 -8.969 17.713 -0.280 46 HG3 GLN 817 HG3 GLN 7 -7.248 17.631 -0.576 47 HE21 GLN 817 HE21 GLN 7 -6.434 15.650 -1.698 48 HE22 GLN 817 HE22 GLN 7 -7.454 15.013 -3.008 49 H HIS 818 H HIS 8 -5.353 14.172 2.387 50 HA HIS 818 HA HIS 8 -3.590 14.072 -0.020 51 HB2 HIS 818 HB2 HIS 8 -3.046 12.478 2.459 52 HB3 HIS 818 HB3 HIS 8 -1.938 13.141 1.263 53 HD2 HIS 818 HD2 HIS 8 -1.981 16.063 1.294 54 HE1 HIS 818 HE1 HIS 8 -2.902 16.183 5.439 55 HE2 HIS 818 HE2 HIS 8 -2.143 17.577 3.421 56 H VAL 819 H VAL 9 -5.839 13.248 -0.936 57 HA VAL 819 HA VAL 9 -6.536 10.489 -0.666 58 HB VAL 819 HB VAL 9 -6.843 12.335 -3.003 59 HG11 VAL 819 HG11 VAL 9 -8.045 9.565 -2.556 60 HG12 VAL 819 HG12 VAL 9 -6.904 10.019 -3.849 61 HG13 VAL 819 HG13 VAL 9 -8.526 10.710 -3.823 62 HG21 VAL 819 HG21 VAL 9 -8.786 11.301 -0.879 63 HG22 VAL 819 HG22 VAL 9 -9.208 12.376 -2.233 64 HG23 VAL 819 HG23 VAL 9 -8.129 12.950 -0.956 65 H GLY 820 H GLY 10 -5.567 8.685 -1.153 66 HA2 GLY 820 HA2 GLY 10 -4.095 7.275 -2.368 67 HA3 GLY 820 HA3 GLY 10 -3.166 8.676 -2.900 68 H PHE 821 H PHE 11 -3.592 9.256 0.353 69 HA PHE 821 HA PHE 11 -1.245 7.601 1.211 70 HB2 PHE 821 HB2 PHE 11 -1.639 10.537 1.799 71 HB3 PHE 821 HB3 PHE 11 -0.229 9.541 2.125 72 HD1 PHE 821 HD1 PHE 11 -1.961 11.612 -0.274 73 HD2 PHE 821 HD2 PHE 11 1.296 8.881 0.284 74 HE1 PHE 821 HE1 PHE 11 -0.913 12.492 -2.337 75 HE2 PHE 821 HE2 PHE 11 2.309 9.670 -1.866 76 HZ PHE 821 HZ PHE 11 1.239 11.555 -3.104 77 H LYS 822 H LYS 12 -2.517 6.220 2.382 78 HA LYS 822 HA LYS 12 -4.150 7.166 4.702 79 HB2 LYS 822 HB2 LYS 12 -5.182 5.424 3.645 80 HB3 LYS 822 HB3 LYS 12 -3.747 4.625 3.200 81 HG2 LYS 822 HG2 LYS 12 -4.158 4.539 6.181 82 HG3 LYS 822 HG3 LYS 12 -5.533 3.992 5.296 83 HD2 LYS 822 HD2 LYS 12 -3.973 2.410 4.017 84 HD3 LYS 822 HD3 LYS 12 -2.709 2.934 5.157 85 HE2 LYS 822 HE2 LYS 12 -3.648 0.840 5.889 86 HE3 LYS 822 HE3 LYS 12 -4.007 2.119 7.056 87 HZ1 LYS 822 HZ1 LYS 12 -6.289 2.225 6.165 88 HZ2 LYS 822 HZ2 LYS 12 -5.957 0.693 6.611 89 HZ3 LYS 822 HZ3 LYS 12 -5.954 1.088 5.030 90 H CYS 823 H CYS 13 -3.406 6.924 6.833 91 HA CYS 823 HA CYS 13 -0.591 7.170 7.283 92 HB2 CYS 823 HB2 CYS 13 -2.360 8.374 8.482 93 HB3 CYS 823 HB3 CYS 13 -2.979 6.853 9.090 94 H ASP 824 H ASP 14 0.687 5.968 8.635 95 HA ASP 824 HA ASP 14 0.313 2.991 8.695 96 HB2 ASP 824 HB2 ASP 14 2.767 4.781 8.887 97 HB3 ASP 824 HB3 ASP 14 2.787 3.068 9.251 98 H ASN 825 H ASN 15 0.799 5.825 10.745 99 HA ASN 825 HA ASN 15 1.459 4.393 13.163 100 HB2 ASN 825 HB2 ASN 15 1.911 6.800 12.736 101 HB3 ASN 825 HB3 ASN 15 0.171 7.135 12.829 102 HD21 ASN 825 HD21 ASN 15 -0.133 8.183 14.768 103 HD22 ASN 825 HD22 ASN 15 0.525 7.601 16.305 104 H CYS 826 H CYS 16 -1.665 5.882 12.116 105 HA CYS 826 HA CYS 16 -3.057 4.211 14.124 106 HB2 CYS 826 HB2 CYS 16 -4.504 5.966 14.529 107 HB3 CYS 826 HB3 CYS 16 -2.924 6.730 14.453 108 H GLY 827 H GLY 17 -2.821 4.697 10.690 109 HA2 GLY 827 HA2 GLY 17 -3.537 3.233 9.135 110 HA3 GLY 827 HA3 GLY 17 -4.589 2.437 10.274 111 H ILE 828 H ILE 18 -5.044 5.841 10.402 112 HA ILE 828 HA ILE 18 -7.594 5.843 9.261 113 HB ILE 828 HB ILE 18 -6.845 7.613 10.745 114 HG12 ILE 828 HG12 ILE 18 -7.411 8.872 8.024 115 HG13 ILE 828 HG13 ILE 18 -8.640 8.036 8.926 116 HG21 ILE 828 HG21 ILE 18 -5.021 8.594 8.485 117 HG22 ILE 828 HG22 ILE 18 -4.476 7.857 9.989 118 HG23 ILE 828 HG23 ILE 18 -5.335 9.378 10.042 119 HD11 ILE 828 HD11 ILE 18 -8.337 9.614 10.837 120 HD12 ILE 828 HD12 ILE 18 -8.902 10.370 9.335 121 HD13 ILE 828 HD13 ILE 18 -7.213 10.558 9.825 122 H GLU 829 H GLU 19 -8.325 6.285 7.296 123 HA GLU 829 HA GLU 19 -6.885 5.616 4.926 124 HB2 GLU 829 HB2 GLU 19 -9.353 7.210 4.808 125 HB3 GLU 829 HB3 GLU 19 -8.889 5.795 3.875 126 HG2 GLU 829 HG2 GLU 19 -10.090 5.785 6.635 127 HG3 GLU 829 HG3 GLU 19 -10.796 5.191 5.142 128 HA PRO 830 HA PRO 20 -5.253 9.124 2.882 129 HB2 PRO 830 HB2 PRO 20 -7.982 10.218 2.183 130 HB3 PRO 830 HB3 PRO 20 -6.414 10.420 1.339 131 HG2 PRO 830 HG2 PRO 20 -8.117 8.494 0.576 132 HG3 PRO 830 HG3 PRO 20 -6.366 8.136 0.697 133 HD2 PRO 830 HD2 PRO 20 -8.605 7.471 2.581 134 HD3 PRO 830 HD3 PRO 20 -7.102 6.542 2.261 135 H ILE 831 H ILE 21 -4.206 10.343 4.220 136 HA ILE 831 HA ILE 21 -5.185 11.459 6.578 137 HB ILE 831 HB ILE 21 -2.665 12.015 4.987 138 HG12 ILE 831 HG12 ILE 21 -2.846 10.415 7.561 139 HG13 ILE 831 HG13 ILE 21 -3.257 9.646 6.044 140 HG21 ILE 831 HG21 ILE 21 -3.157 12.763 7.908 141 HG22 ILE 831 HG22 ILE 21 -2.896 13.912 6.582 142 HG23 ILE 831 HG23 ILE 21 -1.599 12.856 7.070 143 HD11 ILE 831 HD11 ILE 21 -0.581 10.961 6.622 144 HD12 ILE 831 HD12 ILE 21 -1.071 10.215 5.090 145 HD13 ILE 831 HD13 ILE 21 -0.928 9.234 6.562 146 H GLN 832 H GLN 22 -5.318 13.605 7.375 147 HA GLN 832 HA GLN 22 -5.983 15.629 5.286 148 HB2 GLN 832 HB2 GLN 22 -7.576 15.134 7.837 149 HB3 GLN 832 HB3 GLN 22 -7.968 16.278 6.562 150 HG2 GLN 832 HG2 GLN 22 -7.942 13.236 6.185 151 HG3 GLN 832 HG3 GLN 22 -9.334 14.164 6.643 152 HE21 GLN 832 HE21 GLN 22 -8.247 12.626 4.048 153 HE22 GLN 832 HE22 GLN 22 -8.949 13.672 2.808 154 H GLY 833 H GLY 23 -5.241 17.592 5.592 155 HA2 GLY 833 HA2 GLY 23 -5.084 19.487 7.281 156 HA3 GLY 833 HA3 GLY 23 -4.094 18.411 8.232 157 H VAL 834 H VAL 24 -2.242 17.483 7.196 158 HA VAL 834 HA VAL 24 -0.746 18.836 5.105 159 HB VAL 834 HB VAL 24 -0.449 20.081 7.268 160 HG11 VAL 834 HG11 VAL 24 0.801 19.200 9.076 161 HG12 VAL 834 HG12 VAL 24 0.983 17.635 8.241 162 HG13 VAL 834 HG13 VAL 24 -0.630 18.184 8.777 163 HG21 VAL 834 HG21 VAL 24 1.351 20.183 5.581 164 HG22 VAL 834 HG22 VAL 24 2.056 18.671 6.214 165 HG23 VAL 834 HG23 VAL 24 2.052 20.143 7.199 166 H ARG 835 H ARG 25 0.621 17.198 4.124 167 HA ARG 835 HA ARG 25 0.161 14.432 5.132 168 HB2 ARG 835 HB2 ARG 25 0.274 15.196 2.595 169 HB3 ARG 835 HB3 ARG 25 2.005 15.178 2.877 170 HG2 ARG 835 HG2 ARG 25 1.867 12.780 3.542 171 HG3 ARG 835 HG3 ARG 25 0.156 12.781 3.103 172 HD2 ARG 835 HD2 ARG 25 0.639 12.935 0.815 173 HD3 ARG 835 HD3 ARG 25 2.150 13.807 1.081 174 HE ARG 835 HE ARG 25 2.100 11.001 2.031 175 HH11 ARG 835 HH11 ARG 25 3.236 13.013 -0.648 176 HH12 ARG 835 HH12 ARG 25 4.527 11.886 -0.965 177 HH21 ARG 835 HH21 ARG 25 3.566 9.739 1.564 178 HH22 ARG 835 HH22 ARG 25 4.828 10.113 0.395 179 H TRP 836 H TRP 26 2.048 13.012 5.564 180 HA TRP 836 HA TRP 26 4.594 14.454 6.081 181 HB2 TRP 836 HB2 TRP 26 3.381 12.625 8.161 182 HB3 TRP 836 HB3 TRP 26 5.027 13.086 8.076 183 HD1 TRP 836 HD1 TRP 26 1.702 14.766 8.891 184 HE1 TRP 836 HE1 TRP 26 2.225 17.019 10.082 185 HE3 TRP 836 HE3 TRP 26 6.659 15.142 7.836 186 HZ2 TRP 836 HZ2 TRP 26 4.557 18.505 10.832 187 HZ3 TRP 836 HZ3 TRP 26 8.069 16.870 8.902 188 HH2 TRP 836 HH2 TRP 26 7.037 18.553 10.429 189 H HIS 837 H HIS 27 5.552 13.733 4.404 190 HA HIS 837 HA HIS 27 5.458 10.889 3.511 191 HB2 HIS 837 HB2 HIS 27 5.270 12.623 1.807 192 HB3 HIS 837 HB3 HIS 27 6.659 13.473 2.421 193 HD2 HIS 837 HD2 HIS 27 9.006 12.870 1.488 194 HE1 HIS 837 HE1 HIS 27 7.978 9.387 -0.751 195 HE2 HIS 837 HE2 HIS 27 9.836 11.051 -0.229 196 H CYS 838 H CYS 28 6.776 9.511 4.555 197 HA CYS 838 HA CYS 28 9.108 10.181 5.983 198 HB2 CYS 838 HB2 CYS 28 7.981 7.708 4.708 199 HB3 CYS 838 HB3 CYS 28 9.659 7.728 5.277 200 H GLN 839 H GLN 29 11.126 10.725 5.481 201 HA GLN 839 HA GLN 29 11.823 11.224 2.712 202 HB2 GLN 839 HB2 GLN 29 13.515 11.392 5.227 203 HB3 GLN 839 HB3 GLN 29 14.031 11.943 3.650 204 HG2 GLN 839 HG2 GLN 29 11.607 13.115 5.081 205 HG3 GLN 839 HG3 GLN 29 13.267 13.681 5.268 206 HE21 GLN 839 HE21 GLN 29 13.089 15.739 4.386 207 HE22 GLN 839 HE22 GLN 29 12.420 16.028 2.774 208 H ASP 840 H ASP 30 12.902 8.846 5.157 209 HA ASP 840 HA ASP 30 14.975 7.812 3.315 210 HB2 ASP 840 HB2 ASP 30 15.474 8.345 5.652 211 HB3 ASP 840 HB3 ASP 30 14.293 7.163 6.195 212 H CYS 841 H CYS 31 11.889 6.714 4.741 213 HA CYS 841 HA CYS 31 12.146 3.994 4.004 214 HB2 CYS 841 HB2 CYS 31 9.603 5.598 4.402 215 HB3 CYS 841 HB3 CYS 31 9.757 3.853 4.368 216 HA PRO 842 HA PRO 32 11.971 4.349 -0.329 217 HB2 PRO 842 HB2 PRO 32 11.488 1.800 -1.178 218 HB3 PRO 842 HB3 PRO 32 12.942 2.240 -0.237 219 HG2 PRO 842 HG2 PRO 32 10.349 1.060 0.796 220 HG3 PRO 842 HG3 PRO 32 12.017 0.492 1.110 221 HD2 PRO 842 HD2 PRO 32 10.667 2.142 2.841 222 HD3 PRO 842 HD3 PRO 32 12.427 2.241 2.613 223 HA PRO 843 HA PRO 33 7.908 5.213 -1.911 224 HB2 PRO 843 HB2 PRO 33 8.107 4.631 -4.609 225 HB3 PRO 843 HB3 PRO 33 8.871 6.025 -3.805 226 HG2 PRO 843 HG2 PRO 33 10.161 3.367 -4.450 227 HG3 PRO 843 HG3 PRO 33 10.763 5.013 -4.826 228 HD2 PRO 843 HD2 PRO 33 11.643 3.716 -2.647 229 HD3 PRO 843 HD3 PRO 33 11.254 5.457 -2.544 230 H GLU 844 H GLU 34 9.209 2.036 -2.640 231 HA GLU 844 HA GLU 34 6.838 0.636 -3.329 232 HB2 GLU 844 HB2 GLU 34 9.113 -0.252 -3.560 233 HB3 GLU 844 HB3 GLU 34 9.287 -0.346 -1.801 234 HG2 GLU 844 HG2 GLU 34 7.595 -2.068 -1.650 235 HG3 GLU 844 HG3 GLU 34 7.104 -1.812 -3.327 236 H MET 845 H MET 35 8.053 1.575 -0.149 237 HA MET 845 HA MET 35 5.706 0.378 1.247 238 HB2 MET 845 HB2 MET 35 8.070 1.966 2.283 239 HB3 MET 845 HB3 MET 35 6.704 1.381 3.250 240 HG2 MET 845 HG2 MET 35 7.554 -0.937 1.976 241 HG3 MET 845 HG3 MET 35 9.054 -0.079 2.260 242 HE1 MET 845 HE1 MET 35 6.024 -1.977 3.764 243 HE2 MET 845 HE2 MET 35 5.635 -0.362 4.409 244 HE3 MET 845 HE3 MET 35 6.149 -1.657 5.508 245 H SER 846 H SER 36 7.142 3.574 0.623 246 HA SER 846 HA SER 36 6.547 5.696 1.053 247 HB2 SER 846 HB2 SER 36 5.402 5.224 -1.089 248 HB3 SER 846 HB3 SER 36 3.900 4.932 -0.181 249 HG SER 846 HG SER 36 4.157 7.138 -0.956 250 H LEU 847 H LEU 37 6.701 5.506 3.324 251 HA LEU 847 HA LEU 37 4.277 4.947 4.859 252 HB2 LEU 847 HB2 LEU 37 7.151 5.438 5.607 253 HB3 LEU 847 HB3 LEU 37 5.915 5.575 6.818 254 HG LEU 847 HG LEU 37 5.317 3.155 5.327 255 HD11 LEU 847 HD11 LEU 37 7.490 3.210 4.372 256 HD12 LEU 847 HD12 LEU 37 7.370 1.867 5.541 257 HD13 LEU 847 HD13 LEU 37 8.227 3.366 5.967 258 HD21 LEU 847 HD21 LEU 37 5.136 2.122 7.240 259 HD22 LEU 847 HD22 LEU 37 5.320 3.719 7.982 260 HD23 LEU 847 HD23 LEU 37 6.708 2.605 7.810 261 H ASP 848 H ASP 38 3.163 6.287 6.228 262 HA ASP 848 HA ASP 38 3.395 9.182 5.693 263 HB2 ASP 848 HB2 ASP 38 0.902 7.569 5.118 264 HB3 ASP 848 HB3 ASP 38 1.028 9.324 5.163 265 H PHE 849 H PHE 39 2.557 10.513 7.222 266 HA PHE 849 HA PHE 39 0.984 9.314 9.445 267 HB2 PHE 849 HB2 PHE 39 3.319 11.186 10.057 268 HB3 PHE 849 HB3 PHE 39 2.260 10.335 11.115 269 HD1 PHE 849 HD1 PHE 39 4.758 9.431 8.335 270 HD2 PHE 849 HD2 PHE 39 3.056 8.512 12.198 271 HE1 PHE 849 HE1 PHE 39 5.947 7.345 8.371 272 HE2 PHE 849 HE2 PHE 39 4.310 6.381 12.235 273 HZ PHE 849 HZ PHE 39 5.716 5.712 10.270 274 H CYS 850 H CYS 40 -0.571 10.562 10.398 275 HA CYS 850 HA CYS 40 -1.442 12.995 9.289 276 HB2 CYS 850 HB2 CYS 40 -1.852 11.861 12.082 277 HB3 CYS 850 HB3 CYS 40 -2.911 13.017 11.282 278 H ASP 851 H ASP 41 -1.747 15.069 10.575 279 HA ASP 851 HA ASP 41 0.634 16.384 11.206 280 HB2 ASP 851 HB2 ASP 41 -0.708 18.173 11.916 281 HB3 ASP 851 HB3 ASP 41 -1.570 17.407 10.598 282 H SER 852 H SER 42 -1.391 14.492 13.367 283 HA SER 852 HA SER 42 0.195 15.146 15.750 284 HB2 SER 852 HB2 SER 42 -2.237 14.844 15.938 285 HB3 SER 852 HB3 SER 42 -2.081 13.178 15.336 286 HG SER 852 HG SER 42 -2.160 13.316 17.664 287 H CYS 853 H CYS 43 -0.274 12.366 13.534 288 HA CYS 853 HA CYS 43 1.076 10.427 15.075 289 HB2 CYS 853 HB2 CYS 43 0.232 10.723 12.221 290 HB3 CYS 853 HB3 CYS 43 0.963 9.253 12.842 291 H SER 854 H SER 44 2.132 12.736 12.659 292 HA SER 854 HA SER 44 4.713 11.702 11.986 293 HB2 SER 854 HB2 SER 44 5.051 13.933 11.094 294 HB3 SER 854 HB3 SER 44 3.385 13.457 10.805 295 HG SER 854 HG SER 44 3.541 15.592 11.662 296 H ASP 855 H ASP 45 3.574 13.153 14.880 297 HA ASP 855 HA ASP 45 6.306 13.491 15.952 298 HB2 ASP 855 HB2 ASP 45 4.748 15.494 16.030 299 HB3 ASP 855 HB3 ASP 45 3.688 14.555 17.082 300 H CYS 856 H CYS 46 3.756 11.328 15.773 301 HA CYS 856 HA CYS 46 3.913 10.268 18.502 302 HB2 CYS 856 HB2 CYS 46 1.781 10.397 17.063 303 HB3 CYS 856 HB3 CYS 46 2.504 9.115 16.076 304 HG CYS 856 HG CYS 46 1.756 9.114 19.312 305 H LEU 857 H LEU 47 4.840 9.396 15.228 306 HA LEU 857 HA LEU 47 6.186 8.000 14.228 307 HB2 LEU 857 HB2 LEU 47 7.697 8.658 16.645 308 HB3 LEU 857 HB3 LEU 47 8.125 7.100 15.985 309 HG LEU 857 HG LEU 47 9.555 8.833 15.146 310 HD11 LEU 857 HD11 LEU 47 9.548 8.351 12.801 311 HD12 LEU 857 HD12 LEU 47 7.845 7.887 12.813 312 HD13 LEU 857 HD13 LEU 47 9.047 6.887 13.666 313 HD21 LEU 857 HD21 LEU 47 7.943 10.728 15.214 314 HD22 LEU 857 HD22 LEU 47 7.138 10.077 13.769 315 HD23 LEU 857 HD23 LEU 47 8.824 10.620 13.682 316 H HIS 858 H HIS 48 6.304 6.068 13.525 317 HA HIS 858 HA HIS 48 5.919 3.678 15.236 318 HB2 HIS 858 HB2 HIS 48 3.869 4.379 13.895 319 HB3 HIS 858 HB3 HIS 48 4.798 4.097 12.431 320 HD2 HIS 858 HD2 HIS 48 4.364 1.798 11.369 321 HE1 HIS 858 HE1 HIS 48 3.570 -0.517 14.865 322 HE2 HIS 858 HE2 HIS 48 3.735 -0.576 12.322 323 H GLU 859 H GLU 49 7.086 1.787 14.318 324 HA GLU 859 HA GLU 49 8.913 2.385 12.084 325 HB2 GLU 859 HB2 GLU 49 9.825 0.870 14.577 326 HB3 GLU 859 HB3 GLU 49 10.796 1.316 13.224 327 HG2 GLU 859 HG2 GLU 49 10.560 3.699 13.749 328 HG3 GLU 859 HG3 GLU 49 9.522 3.303 15.115 329 H THR 860 H THR 50 9.658 0.573 10.846 330 HA THR 860 HA THR 50 8.064 -1.933 11.341 331 HB THR 860 HB THR 50 7.329 -2.125 9.179 332 HG1 THR 860 HG1 THR 50 8.055 -0.864 7.481 333 HG21 THR 860 HG21 THR 50 6.002 -0.411 10.368 334 HG22 THR 860 HG22 THR 50 6.064 -0.091 8.621 335 HG23 THR 860 HG23 THR 50 7.017 0.882 9.753 336 H ASP 861 H ASP 51 9.125 -3.202 9.010 337 HA ASP 861 HA ASP 51 11.664 -4.174 10.048 338 HB2 ASP 861 HB2 ASP 51 10.122 -4.813 7.567 339 HB3 ASP 861 HB3 ASP 51 11.579 -5.646 8.069 340 H ILE 862 H ILE 52 10.577 -1.834 7.796 341 HA ILE 862 HA ILE 52 13.289 -1.336 6.756 342 HB ILE 862 HB ILE 52 10.558 -0.748 5.626 343 HG12 ILE 862 HG12 ILE 52 12.961 -2.481 4.892 344 HG13 ILE 862 HG13 ILE 52 11.336 -3.025 5.304 345 HG21 ILE 862 HG21 ILE 52 11.861 1.260 5.307 346 HG22 ILE 862 HG22 ILE 52 11.871 0.359 3.794 347 HG23 ILE 862 HG23 ILE 52 13.301 0.313 4.876 348 HD11 ILE 862 HD11 ILE 52 10.493 -1.901 3.250 349 HD12 ILE 862 HD12 ILE 52 11.591 -3.276 2.978 350 HD13 ILE 862 HD13 ILE 52 12.201 -1.620 2.784 351 H HIS 863 H HIS 53 10.298 0.165 8.063 352 HA HIS 863 HA HIS 53 11.420 2.811 8.006 353 HB2 HIS 863 HB2 HIS 53 9.172 2.806 7.719 354 HB3 HIS 863 HB3 HIS 53 8.831 1.511 8.739 355 HD1 HIS 863 HD1 HIS 53 10.505 3.945 11.062 356 HD2 HIS 863 HD2 HIS 53 7.201 4.029 10.225 357 HE1 HIS 863 HE1 HIS 53 10.025 6.279 10.374 358 H LYS 864 H LYS 54 12.557 3.804 9.487 359 HA LYS 864 HA LYS 54 12.260 2.934 12.325 360 HB2 LYS 864 HB2 LYS 54 14.904 3.577 10.964 361 HB3 LYS 864 HB3 LYS 54 14.619 3.126 12.620 362 HG2 LYS 864 HG2 LYS 54 13.980 1.260 10.214 363 HG3 LYS 864 HG3 LYS 54 15.461 1.217 11.091 364 HD2 LYS 864 HD2 LYS 54 14.306 0.550 13.183 365 HD3 LYS 864 HD3 LYS 54 12.788 0.665 12.405 366 HE2 LYS 864 HE2 LYS 54 13.219 -1.587 12.257 367 HE3 LYS 864 HE3 LYS 54 13.612 -1.010 10.647 368 HZ1 LYS 864 HZ1 LYS 54 15.323 -2.527 11.528 369 HZ2 LYS 864 HZ2 LYS 54 15.608 -1.557 12.807 370 HZ3 LYS 864 HZ3 LYS 54 15.990 -1.057 11.294 371 H GLU 865 H GLU 55 12.720 4.559 13.928 372 HA GLU 865 HA GLU 55 11.966 7.221 13.099 373 HB2 GLU 865 HB2 GLU 55 11.867 7.725 15.382 374 HB3 GLU 865 HB3 GLU 55 11.273 6.082 15.192 375 HG2 GLU 865 HG2 GLU 55 13.589 5.276 15.913 376 HG3 GLU 865 HG3 GLU 55 14.013 6.952 16.231 377 H ASP 866 H ASP 56 14.799 5.841 12.567 378 HA ASP 866 HA ASP 56 16.803 7.598 13.534 379 HB2 ASP 866 HB2 ASP 56 16.999 5.207 12.738 380 HB3 ASP 866 HB3 ASP 56 16.848 5.855 11.112 381 H HIS 867 H HIS 57 14.462 7.891 11.013 382 HA HIS 867 HA HIS 57 16.108 9.512 9.232 383 HB2 HIS 867 HB2 HIS 57 14.428 9.086 7.662 384 HB3 HIS 867 HB3 HIS 57 14.938 7.608 8.425 385 HD1 HIS 867 HD1 HIS 57 12.048 9.922 9.756 386 HD2 HIS 867 HD2 HIS 57 12.940 6.221 8.025 387 HE1 HIS 867 HE1 HIS 57 9.799 8.867 9.199 388 H GLN 868 H GLN 58 13.924 10.827 8.009 389 HA GLN 868 HA GLN 58 12.884 12.896 9.821 390 HB2 GLN 868 HB2 GLN 58 14.910 13.794 8.896 391 HB3 GLN 868 HB3 GLN 58 14.535 13.186 7.283 392 HG2 GLN 868 HG2 GLN 58 12.601 14.684 7.142 393 HG3 GLN 868 HG3 GLN 58 12.940 15.297 8.763 394 HE21 GLN 868 HE21 GLN 58 15.346 16.196 8.934 395 HE22 GLN 868 HE22 GLN 58 15.870 17.094 7.525 396 H LEU 869 H LEU 59 10.931 13.814 9.109 397 HA LEU 869 HA LEU 59 9.523 12.514 6.807 398 HB2 LEU 869 HB2 LEU 59 8.374 14.065 9.164 399 HB3 LEU 869 HB3 LEU 59 7.489 13.198 7.903 400 HG LEU 869 HG LEU 59 7.304 12.165 10.009 401 HD11 LEU 869 HD11 LEU 59 7.729 9.869 9.304 402 HD12 LEU 869 HD12 LEU 59 8.903 10.467 8.106 403 HD13 LEU 869 HD13 LEU 59 7.175 10.830 7.936 404 HD21 LEU 869 HD21 LEU 59 9.483 12.653 11.058 405 HD22 LEU 869 HD22 LEU 59 10.190 11.340 10.077 406 HD23 LEU 869 HD23 LEU 59 8.904 10.990 11.238 407 H GLU 870 H GLU 60 8.509 13.778 5.306 408 HA GLU 870 HA GLU 60 9.261 16.665 5.220 409 HB2 GLU 870 HB2 GLU 60 9.846 15.025 3.368 410 HB3 GLU 870 HB3 GLU 60 8.144 14.891 3.046 411 HG2 GLU 870 HG2 GLU 60 8.860 16.406 1.501 412 HG3 GLU 870 HG3 GLU 60 8.137 17.445 2.727 413 HA PRO 871 HA PRO 61 4.807 17.324 6.044 414 HB2 PRO 871 HB2 PRO 61 4.827 20.030 6.405 415 HB3 PRO 871 HB3 PRO 61 5.350 18.879 7.656 416 HG2 PRO 871 HG2 PRO 61 7.064 20.488 5.762 417 HG3 PRO 871 HG3 PRO 61 7.339 20.144 7.496 418 HD2 PRO 871 HD2 PRO 61 8.543 18.770 5.411 419 HD3 PRO 871 HD3 PRO 61 8.270 18.061 7.021 420 H ILE 872 H ILE 62 3.153 17.760 4.520 421 HA ILE 872 HA ILE 62 3.916 19.380 2.119 422 HB ILE 872 HB ILE 62 2.050 17.072 1.936 423 HG12 ILE 872 HG12 ILE 62 4.215 16.076 2.761 424 HG13 ILE 872 HG13 ILE 62 3.667 15.507 1.206 425 HG21 ILE 872 HG21 ILE 62 3.751 18.532 -0.129 426 HG22 ILE 872 HG22 ILE 62 2.015 18.712 0.126 427 HG23 ILE 872 HG23 ILE 62 2.653 17.178 -0.467 428 HD11 ILE 872 HD11 ILE 62 5.764 17.678 1.524 429 HD12 ILE 872 HD12 ILE 62 5.328 16.820 0.033 430 HD13 ILE 872 HD13 ILE 62 6.137 15.949 1.357 431 H TYR 873 H TYR 63 2.692 21.047 1.865 432 HA TYR 873 HA TYR 63 0.293 21.402 3.517 433 HB2 TYR 873 HB2 TYR 63 2.241 23.290 2.162 434 HB3 TYR 873 HB3 TYR 63 0.795 23.837 2.980 435 HD1 TYR 873 HD1 TYR 63 0.442 23.236 5.425 436 HD2 TYR 873 HD2 TYR 63 4.243 22.745 3.451 437 HE1 TYR 873 HE1 TYR 63 1.590 23.173 7.644 438 HE2 TYR 873 HE2 TYR 63 5.382 22.680 5.657 439 HH TYR 873 HH TYR 63 5.147 22.900 7.952 440 H ARG 874 H ARG 64 0.496 19.998 0.835 441 HA ARG 874 HA ARG 64 -1.984 20.951 -0.331 442 HB2 ARG 874 HB2 ARG 64 -1.093 21.234 -2.614 443 HB3 ARG 874 HB3 ARG 64 -0.498 22.448 -1.491 444 HG2 ARG 874 HG2 ARG 64 1.656 21.292 -1.279 445 HG3 ARG 874 HG3 ARG 64 1.094 19.965 -2.294 446 HD2 ARG 874 HD2 ARG 64 1.235 22.870 -3.162 447 HD3 ARG 874 HD3 ARG 64 2.541 21.689 -3.432 448 HE ARG 874 HE ARG 64 0.216 20.540 -4.509 449 HH11 ARG 874 HH11 ARG 64 -0.326 20.593 -6.666 450 HH12 ARG 874 HH12 ARG 64 0.357 21.809 -7.704 451 HH21 ARG 874 HH21 ARG 64 2.191 23.337 -5.245 452 HH22 ARG 874 HH22 ARG 64 1.742 23.328 -6.926 453 H1 ALA 1 H1 ALA 65 0.425 5.572 4.201 454 H2 ALA 1 H2 ALA 65 1.868 5.850 3.467 455 H3 ALA 1 H3 ALA 65 1.798 4.911 4.826 456 HA ALA 1 HA ALA 65 2.105 3.560 2.921 457 HB1 ALA 1 HB1 ALA 65 0.771 2.609 4.766 458 HB2 ALA 1 HB2 ALA 65 0.198 2.032 3.190 459 HB3 ALA 1 HB3 ALA 65 -0.703 3.298 4.056 460 H ARG 2 H ARG 66 1.968 3.508 0.787 461 HA ARG 2 HA ARG 66 0.377 5.335 -0.713 462 HB2 ARG 2 HB2 ARG 66 1.041 3.804 -2.706 463 HB3 ARG 2 HB3 ARG 66 2.237 4.758 -1.872 464 HG2 ARG 2 HG2 ARG 66 3.038 2.530 -2.505 465 HG3 ARG 2 HG3 ARG 66 3.202 2.858 -0.793 466 HD2 ARG 2 HD2 ARG 66 1.257 1.416 -0.304 467 HD3 ARG 2 HD3 ARG 66 1.041 1.128 -2.045 468 HE ARG 2 HE ARG 66 3.732 0.458 -1.238 469 HH11 ARG 2 HH11 ARG 66 0.492 -0.888 -0.966 470 HH12 ARG 2 HH12 ARG 66 1.108 -2.514 -0.840 471 HH21 ARG 2 HH21 ARG 66 4.414 -1.546 -1.092 472 HH22 ARG 2 HH22 ARG 66 3.306 -2.901 -0.911 473 H THR 3 H THR 67 -1.592 5.404 -1.290 474 HA THR 3 HA THR 67 -3.033 2.966 -2.226 475 HB THR 3 HB THR 67 -5.146 3.858 -1.355 476 HG1 THR 3 HG1 THR 67 -5.126 5.567 0.081 477 HG21 THR 3 HG21 THR 67 -3.842 2.248 0.058 478 HG22 THR 3 HG22 THR 67 -4.878 3.342 0.990 479 HG23 THR 3 HG23 THR 67 -3.128 3.636 0.915 480 HH31 ALY 4 H26 ALY 68 -0.335 9.264 -9.978 481 HH32 ALY 4 H27 ALY 68 -0.331 11.002 -10.364 482 HH33 ALY 4 H28 ALY 68 -1.779 10.027 -10.696 483 HZ ALY 4 HZ1 ALY 68 0.431 10.730 -8.006 484 HE3 ALY 4 HE3 ALY 68 -0.129 11.852 -5.987 485 HE2 ALY 4 HE2 ALY 68 -1.830 11.413 -6.183 486 HD3 ALY 4 HD3 ALY 68 0.431 9.447 -5.576 487 HD2 ALY 4 HD2 ALY 68 -0.648 10.163 -4.371 488 HG3 ALY 4 HG3 ALY 68 -2.604 9.127 -5.467 489 HG2 ALY 4 HG2 ALY 68 -1.540 8.380 -6.672 490 HB3 ALY 4 HB3 ALY 68 -0.400 7.083 -4.923 491 HB2 ALY 4 HB2 ALY 68 -1.324 7.902 -3.663 492 HCA ALY 4 HA ALY 68 -3.441 7.004 -4.755 493 H ALY 4 H ALY 68 -1.460 5.410 -3.346 494 H GLN 5 H GLN 69 -4.498 5.851 -6.298 495 HA GLN 5 HA GLN 69 -4.969 4.653 -8.141 496 HB2 GLN 5 HB2 GLN 69 -2.373 5.755 -9.286 497 HB3 GLN 5 HB3 GLN 69 -3.744 5.080 -10.180 498 HG2 GLN 5 HG2 GLN 69 -5.196 6.899 -9.179 499 HG3 GLN 5 HG3 GLN 69 -3.728 7.646 -8.540 500 HE21 GLN 5 HE21 GLN 69 -5.260 9.188 -10.209 501 HE22 GLN 5 HE22 GLN 69 -4.491 9.311 -11.785 502 H THR 6 H THR 70 -3.571 3.223 -6.041 503 HA THR 6 HA THR 70 -1.772 1.261 -7.192 504 HB THR 6 HB THR 70 -2.246 0.046 -5.008 505 HG1 THR 6 HG1 THR 70 -4.268 0.944 -4.497 506 HG21 THR 6 HG21 THR 70 -1.326 2.953 -4.823 507 HG22 THR 6 HG22 THR 70 -0.314 1.554 -5.239 508 HG23 THR 6 HG23 THR 70 -1.026 1.679 -3.619 509 H ALA 7 H ALA 71 -2.141 -0.938 -7.606 510 HA ALA 7 HA ALA 71 -4.566 -1.523 -9.004 511 HB1 ALA 7 HB1 ALA 71 -2.293 -3.356 -8.124 512 HB2 ALA 7 HB2 ALA 71 -2.348 -2.415 -9.634 513 HB3 ALA 7 HB3 ALA 71 -3.515 -3.720 -9.360 514 H ARG 8 H ARG 72 -6.071 -3.191 -8.672 515 HA ARG 8 HA ARG 72 -7.150 -3.440 -6.005 516 HB2 ARG 8 HB2 ARG 72 -8.915 -4.715 -6.999 517 HB3 ARG 8 HB3 ARG 72 -8.565 -3.307 -8.003 518 HG2 ARG 8 HG2 ARG 72 -7.247 -4.800 -9.558 519 HG3 ARG 8 HG3 ARG 72 -7.743 -6.194 -8.584 520 HD2 ARG 8 HD2 ARG 72 -9.625 -4.276 -10.023 521 HD3 ARG 8 HD3 ARG 72 -9.130 -5.844 -10.642 522 HE ARG 8 HE ARG 72 -11.065 -5.290 -8.503 523 HH11 ARG 8 HH11 ARG 72 -9.180 -7.847 -9.996 524 HH12 ARG 8 HH12 ARG 72 -10.191 -9.097 -9.327 525 HH21 ARG 8 HH21 ARG 72 -12.303 -6.932 -7.697 526 HH22 ARG 8 HH22 ARG 72 -11.917 -8.588 -8.064 Start of MODEL 19 1 H1 GLY 811 H1 GLY 1 -4.566 24.845 -2.603 2 H2 GLY 811 H2 GLY 1 -5.158 26.367 -2.462 3 H3 GLY 811 H3 GLY 1 -6.184 25.098 -2.569 4 HA2 GLY 811 HA2 GLY 1 -6.097 25.870 -0.289 5 HA3 GLY 811 HA3 GLY 1 -5.472 24.221 -0.441 6 HA PRO 812 HA PRO 2 -2.171 27.489 0.914 7 HB2 PRO 812 HB2 PRO 2 -2.625 28.153 3.530 8 HB3 PRO 812 HB3 PRO 2 -3.412 28.979 2.154 9 HG2 PRO 812 HG2 PRO 2 -4.525 26.711 3.835 10 HG3 PRO 812 HG3 PRO 2 -5.307 28.274 3.432 11 HD2 PRO 812 HD2 PRO 2 -5.828 26.025 2.001 12 HD3 PRO 812 HD3 PRO 2 -5.693 27.621 1.201 13 H LEU 813 H LEU 3 -0.386 27.256 2.404 14 HA LEU 813 HA LEU 3 0.685 24.705 2.484 15 HB2 LEU 813 HB2 LEU 3 1.471 27.040 4.261 16 HB3 LEU 813 HB3 LEU 3 2.502 25.697 3.796 17 HG LEU 813 HG LEU 3 1.434 27.869 1.935 18 HD11 LEU 813 HD11 LEU 3 3.767 28.605 1.854 19 HD12 LEU 813 HD12 LEU 3 4.238 27.329 2.999 20 HD13 LEU 813 HD13 LEU 3 3.157 28.642 3.515 21 HD21 LEU 813 HD21 LEU 3 2.995 26.944 0.258 22 HD22 LEU 813 HD22 LEU 3 1.750 25.767 0.690 23 HD23 LEU 813 HD23 LEU 3 3.390 25.606 1.361 24 H GLY 814 H GLY 4 -1.313 26.100 5.004 25 HA2 GLY 814 HA2 GLY 4 -0.609 24.016 6.998 26 HA3 GLY 814 HA3 GLY 4 -1.653 25.413 7.234 27 H SER 815 H SER 5 -2.663 23.987 4.383 28 HA SER 815 HA SER 5 -4.684 22.229 5.622 29 HB2 SER 815 HB2 SER 5 -5.362 24.576 3.823 30 HB3 SER 815 HB3 SER 5 -6.497 23.363 4.426 31 HG SER 815 HG SER 5 -5.044 25.273 5.972 32 H VAL 816 H VAL 6 -2.322 21.747 3.872 33 HA VAL 816 HA VAL 6 -2.962 21.312 1.167 34 HB VAL 816 HB VAL 6 -0.955 20.032 3.065 35 HG11 VAL 816 HG11 VAL 6 -0.830 20.162 0.064 36 HG12 VAL 816 HG12 VAL 6 -1.045 18.714 1.097 37 HG13 VAL 816 HG13 VAL 6 0.470 19.628 1.165 38 HG21 VAL 816 HG21 VAL 6 -0.847 22.579 2.875 39 HG22 VAL 816 HG22 VAL 6 -0.470 22.359 1.159 40 HG23 VAL 816 HG23 VAL 6 0.596 21.708 2.440 41 H GLN 817 H GLN 7 -3.979 19.737 0.097 42 HA GLN 817 HA GLN 7 -5.011 17.430 1.679 43 HB2 GLN 817 HB2 GLN 7 -6.639 17.256 -0.153 44 HB3 GLN 817 HB3 GLN 7 -6.772 18.699 0.844 45 HG2 GLN 817 HG2 GLN 7 -6.629 20.073 -0.891 46 HG3 GLN 817 HG3 GLN 7 -5.130 19.348 -1.440 47 HE21 GLN 817 HE21 GLN 7 -5.373 17.201 -2.644 48 HE22 GLN 817 HE22 GLN 7 -6.717 17.122 -3.794 49 H HIS 818 H HIS 8 -3.761 15.682 1.559 50 HA HIS 818 HA HIS 8 -2.627 14.868 -1.089 51 HB2 HIS 818 HB2 HIS 8 -1.766 14.482 1.742 52 HB3 HIS 818 HB3 HIS 8 -1.532 13.151 0.633 53 HD2 HIS 818 HD2 HIS 8 -0.074 16.567 1.374 54 HE1 HIS 818 HE1 HIS 8 1.658 15.371 -2.328 55 HE2 HIS 818 HE2 HIS 8 1.672 17.145 -0.530 56 H VAL 819 H VAL 9 -4.890 14.553 -1.675 57 HA VAL 819 HA VAL 9 -6.432 12.309 -0.814 58 HB VAL 819 HB VAL 9 -6.322 13.689 -3.477 59 HG11 VAL 819 HG11 VAL 9 -8.321 11.627 -2.459 60 HG12 VAL 819 HG12 VAL 9 -7.212 11.430 -3.840 61 HG13 VAL 819 HG13 VAL 9 -8.510 12.620 -3.920 62 HG21 VAL 819 HG21 VAL 9 -7.141 15.085 -1.587 63 HG22 VAL 819 HG22 VAL 9 -8.315 13.825 -1.171 64 HG23 VAL 819 HG23 VAL 9 -8.440 14.698 -2.715 65 H GLY 820 H GLY 10 -6.082 10.179 -1.004 66 HA2 GLY 820 HA2 GLY 10 -5.237 8.197 -1.772 67 HA3 GLY 820 HA3 GLY 10 -4.288 9.021 -3.016 68 H PHE 821 H PHE 11 -3.854 10.125 0.325 69 HA PHE 821 HA PHE 11 -1.667 8.127 0.752 70 HB2 PHE 821 HB2 PHE 11 -1.439 11.070 1.412 71 HB3 PHE 821 HB3 PHE 11 -0.268 9.809 1.746 72 HD1 PHE 821 HD1 PHE 11 1.527 9.492 0.283 73 HD2 PHE 821 HD2 PHE 11 -1.987 11.571 -1.067 74 HE1 PHE 821 HE1 PHE 11 2.692 10.121 -1.840 75 HE2 PHE 821 HE2 PHE 11 -0.798 12.312 -3.091 76 HZ PHE 821 HZ PHE 11 1.541 11.617 -3.477 77 H LYS 822 H LYS 12 -2.960 6.931 2.084 78 HA LYS 822 HA LYS 12 -4.454 8.098 4.304 79 HB2 LYS 822 HB2 LYS 12 -5.334 6.144 3.127 80 HB3 LYS 822 HB3 LYS 12 -3.883 5.317 3.265 81 HG2 LYS 822 HG2 LYS 12 -5.021 5.757 5.981 82 HG3 LYS 822 HG3 LYS 12 -6.224 5.173 4.878 83 HD2 LYS 822 HD2 LYS 12 -5.413 3.240 5.823 84 HD3 LYS 822 HD3 LYS 12 -4.684 3.276 4.215 85 HE2 LYS 822 HE2 LYS 12 -2.593 4.274 5.297 86 HE3 LYS 822 HE3 LYS 12 -3.375 4.083 6.860 87 HZ1 LYS 822 HZ1 LYS 12 -1.857 2.226 6.305 88 HZ2 LYS 822 HZ2 LYS 12 -2.821 1.773 5.055 89 HZ3 LYS 822 HZ3 LYS 12 -3.392 1.697 6.586 90 H CYS 823 H CYS 13 -3.941 8.167 6.389 91 HA CYS 823 HA CYS 13 -1.201 8.024 7.255 92 HB2 CYS 823 HB2 CYS 13 -2.832 9.690 8.073 93 HB3 CYS 823 HB3 CYS 13 -3.809 8.336 8.683 94 H ASP 824 H ASP 14 -0.219 6.509 8.300 95 HA ASP 824 HA ASP 14 -1.474 3.850 8.735 96 HB2 ASP 824 HB2 ASP 14 1.395 4.825 8.859 97 HB3 ASP 824 HB3 ASP 14 0.886 3.169 9.173 98 H ASN 825 H ASN 15 -0.610 6.585 10.638 99 HA ASN 825 HA ASN 15 -0.501 5.174 13.202 100 HB2 ASN 825 HB2 ASN 15 0.511 7.418 12.930 101 HB3 ASN 825 HB3 ASN 15 -1.128 8.089 12.660 102 HD21 ASN 825 HD21 ASN 15 -1.209 9.407 14.472 103 HD22 ASN 825 HD22 ASN 15 -1.134 8.752 16.118 104 H CYS 826 H CYS 16 -3.131 7.271 11.771 105 HA CYS 826 HA CYS 16 -4.973 6.082 13.756 106 HB2 CYS 826 HB2 CYS 16 -6.032 8.126 13.888 107 HB3 CYS 826 HB3 CYS 16 -4.315 8.523 13.866 108 H GLY 827 H GLY 17 -4.435 6.136 10.365 109 HA2 GLY 827 HA2 GLY 17 -5.383 4.604 8.927 110 HA3 GLY 827 HA3 GLY 17 -6.767 4.423 9.978 111 H ILE 828 H ILE 18 -6.183 7.773 9.523 112 HA ILE 828 HA ILE 18 -8.463 8.171 7.965 113 HB ILE 828 HB ILE 18 -7.603 9.930 9.331 114 HG12 ILE 828 HG12 ILE 18 -7.428 10.714 6.367 115 HG13 ILE 828 HG13 ILE 18 -8.925 10.453 7.252 116 HG21 ILE 828 HG21 ILE 18 -5.580 11.226 8.736 117 HG22 ILE 828 HG22 ILE 18 -5.134 10.012 7.528 118 HG23 ILE 828 HG23 ILE 18 -5.200 9.619 9.247 119 HD11 ILE 828 HD11 ILE 18 -8.538 12.802 7.124 120 HD12 ILE 828 HD12 ILE 18 -6.884 12.660 7.753 121 HD13 ILE 828 HD13 ILE 18 -8.272 12.317 8.816 122 H GLU 829 H GLU 19 -8.891 8.300 5.910 123 HA GLU 829 HA GLU 19 -7.279 6.796 4.080 124 HB2 GLU 829 HB2 GLU 19 -9.699 8.424 3.835 125 HB3 GLU 829 HB3 GLU 19 -9.003 7.751 2.399 126 HG2 GLU 829 HG2 GLU 19 -10.066 6.227 4.842 127 HG3 GLU 829 HG3 GLU 19 -10.865 6.332 3.276 128 HA PRO 830 HA PRO 20 -5.136 10.272 2.772 129 HB2 PRO 830 HB2 PRO 20 -6.075 11.894 1.132 130 HB3 PRO 830 HB3 PRO 20 -6.648 10.251 0.960 131 HG2 PRO 830 HG2 PRO 20 -8.054 12.605 2.218 132 HG3 PRO 830 HG3 PRO 20 -8.699 11.397 1.077 133 HD2 PRO 830 HD2 PRO 20 -8.706 11.309 3.986 134 HD3 PRO 830 HD3 PRO 20 -9.111 10.010 2.843 135 H ILE 831 H ILE 21 -3.748 11.547 3.583 136 HA ILE 831 HA ILE 21 -4.338 13.024 5.923 137 HB ILE 831 HB ILE 21 -1.837 12.838 4.229 138 HG12 ILE 831 HG12 ILE 21 -2.442 11.494 6.913 139 HG13 ILE 831 HG13 ILE 21 -2.917 10.752 5.444 140 HG21 ILE 831 HG21 ILE 21 -2.225 14.122 6.970 141 HG22 ILE 831 HG22 ILE 21 -1.590 14.901 5.517 142 HG23 ILE 831 HG23 ILE 21 -0.642 13.665 6.338 143 HD11 ILE 831 HD11 ILE 21 -0.758 9.899 6.149 144 HD12 ILE 831 HD12 ILE 21 -0.045 11.515 6.029 145 HD13 ILE 831 HD13 ILE 21 -0.656 10.705 4.574 146 H GLN 832 H GLN 22 -4.415 15.077 6.516 147 HA GLN 832 HA GLN 22 -4.633 17.161 4.407 148 HB2 GLN 832 HB2 GLN 22 -6.109 16.998 7.053 149 HB3 GLN 832 HB3 GLN 22 -6.338 18.195 5.777 150 HG2 GLN 832 HG2 GLN 22 -6.980 15.215 5.585 151 HG3 GLN 832 HG3 GLN 22 -8.129 16.511 5.781 152 HE21 GLN 832 HE21 GLN 22 -7.204 14.434 3.498 153 HE22 GLN 832 HE22 GLN 22 -7.466 15.455 2.078 154 H GLY 833 H GLY 23 -3.690 19.085 4.732 155 HA2 GLY 833 HA2 GLY 23 -2.968 20.926 6.096 156 HA3 GLY 833 HA3 GLY 23 -2.484 19.842 7.341 157 H VAL 834 H VAL 24 -0.821 18.191 6.575 158 HA VAL 834 HA VAL 24 1.139 19.015 4.605 159 HB VAL 834 HB VAL 24 1.633 20.264 6.693 160 HG11 VAL 834 HG11 VAL 24 0.769 18.701 8.326 161 HG12 VAL 834 HG12 VAL 24 2.412 19.242 8.700 162 HG13 VAL 834 HG13 VAL 24 2.165 17.618 8.017 163 HG21 VAL 834 HG21 VAL 24 3.547 19.706 5.284 164 HG22 VAL 834 HG22 VAL 24 3.698 18.112 6.078 165 HG23 VAL 834 HG23 VAL 24 4.014 19.606 6.975 166 H ARG 835 H ARG 25 2.066 17.080 3.748 167 HA ARG 835 HA ARG 25 1.120 14.530 5.016 168 HB2 ARG 835 HB2 ARG 25 0.891 14.682 2.617 169 HB3 ARG 835 HB3 ARG 25 2.635 14.940 2.406 170 HG2 ARG 835 HG2 ARG 25 3.097 12.680 3.234 171 HG3 ARG 835 HG3 ARG 25 1.395 12.473 3.700 172 HD2 ARG 835 HD2 ARG 25 1.716 11.259 1.714 173 HD3 ARG 835 HD3 ARG 25 0.756 12.658 1.295 174 HE ARG 835 HE ARG 25 2.502 13.515 0.002 175 HH11 ARG 835 HH11 ARG 25 3.614 10.558 1.601 176 HH12 ARG 835 HH12 ARG 25 5.015 10.444 0.583 177 HH21 ARG 835 HH21 ARG 25 4.366 13.274 -1.256 178 HH22 ARG 835 HH22 ARG 25 5.401 11.905 -0.999 179 H TRP 836 H TRP 26 2.655 12.883 5.593 180 HA TRP 836 HA TRP 26 5.373 13.947 6.253 181 HB2 TRP 836 HB2 TRP 26 3.535 12.541 8.175 182 HB3 TRP 836 HB3 TRP 26 5.258 12.494 8.326 183 HD1 TRP 836 HD1 TRP 26 2.414 14.878 8.841 184 HE1 TRP 836 HE1 TRP 26 3.339 16.999 10.063 185 HE3 TRP 836 HE3 TRP 26 7.377 14.124 8.149 186 HZ2 TRP 836 HZ2 TRP 26 5.886 17.879 11.037 187 HZ3 TRP 836 HZ3 TRP 26 9.063 15.442 9.397 188 HH2 TRP 836 HH2 TRP 26 8.333 17.281 10.889 189 H HIS 837 H HIS 27 6.290 13.007 4.596 190 HA HIS 837 HA HIS 27 5.795 10.186 3.772 191 HB2 HIS 837 HB2 HIS 27 6.107 12.075 2.128 192 HB3 HIS 837 HB3 HIS 27 7.699 12.374 2.786 193 HD2 HIS 837 HD2 HIS 27 9.698 10.812 2.045 194 HE1 HIS 837 HE1 HIS 27 7.514 8.206 -0.542 195 HE2 HIS 837 HE2 HIS 27 9.842 8.882 0.248 196 H CYS 838 H CYS 28 6.926 8.512 4.761 197 HA CYS 838 HA CYS 28 9.147 9.071 6.509 198 HB2 CYS 838 HB2 CYS 28 7.465 7.290 6.717 199 HB3 CYS 838 HB3 CYS 28 8.270 6.503 5.345 200 H GLN 839 H GLN 29 11.187 9.156 6.171 201 HA GLN 839 HA GLN 29 12.130 9.513 3.469 202 HB2 GLN 839 HB2 GLN 29 13.593 9.577 6.138 203 HB3 GLN 839 HB3 GLN 29 14.283 10.062 4.593 204 HG2 GLN 839 HG2 GLN 29 12.084 11.588 4.450 205 HG3 GLN 839 HG3 GLN 29 12.072 11.399 6.191 206 HE21 GLN 839 HE21 GLN 29 12.500 13.619 6.665 207 HE22 GLN 839 HE22 GLN 29 13.920 14.441 6.052 208 H ASP 840 H ASP 30 12.549 6.911 5.876 209 HA ASP 840 HA ASP 30 14.552 5.589 4.081 210 HB2 ASP 840 HB2 ASP 30 14.988 6.058 6.551 211 HB3 ASP 840 HB3 ASP 30 13.637 5.053 6.851 212 H CYS 841 H CYS 31 11.201 5.195 5.214 213 HA CYS 841 HA CYS 31 10.872 2.419 4.631 214 HB2 CYS 841 HB2 CYS 31 8.975 4.763 4.618 215 HB3 CYS 841 HB3 CYS 31 8.490 3.215 3.960 216 HA PRO 842 HA PRO 32 11.591 2.502 0.243 217 HB2 PRO 842 HB2 PRO 32 10.547 0.130 -0.605 218 HB3 PRO 842 HB3 PRO 32 11.981 0.230 0.464 219 HG2 PRO 842 HG2 PRO 32 9.098 -0.267 1.267 220 HG3 PRO 842 HG3 PRO 32 10.562 -1.162 1.773 221 HD2 PRO 842 HD2 PRO 32 9.422 0.871 3.258 222 HD3 PRO 842 HD3 PRO 32 11.164 0.488 3.289 223 HA PRO 843 HA PRO 33 7.995 4.380 -1.627 224 HB2 PRO 843 HB2 PRO 33 8.898 2.972 -4.162 225 HB3 PRO 843 HB3 PRO 33 8.347 4.662 -3.952 226 HG2 PRO 843 HG2 PRO 33 10.984 4.135 -4.099 227 HG3 PRO 843 HG3 PRO 33 10.395 5.243 -2.812 228 HD2 PRO 843 HD2 PRO 33 11.101 2.306 -2.579 229 HD3 PRO 843 HD3 PRO 33 11.529 3.671 -1.504 230 H GLU 844 H GLU 34 8.503 0.951 -2.324 231 HA GLU 844 HA GLU 34 5.925 0.184 -3.163 232 HB2 GLU 844 HB2 GLU 34 7.949 -1.199 -3.281 233 HB3 GLU 844 HB3 GLU 34 7.999 -1.336 -1.517 234 HG2 GLU 844 HG2 GLU 34 5.902 -2.597 -1.503 235 HG3 GLU 844 HG3 GLU 34 5.695 -2.346 -3.238 236 H MET 845 H MET 35 7.111 0.757 0.103 237 HA MET 845 HA MET 35 4.510 -0.042 1.344 238 HB2 MET 845 HB2 MET 35 7.217 0.714 2.505 239 HB3 MET 845 HB3 MET 35 5.803 0.387 3.489 240 HG2 MET 845 HG2 MET 35 6.956 -1.604 1.508 241 HG3 MET 845 HG3 MET 35 7.406 -1.535 3.205 242 HE1 MET 845 HE1 MET 35 4.724 -1.152 4.903 243 HE2 MET 845 HE2 MET 35 6.003 -2.355 5.205 244 HE3 MET 845 HE3 MET 35 4.304 -2.854 5.120 245 H SER 846 H SER 36 6.682 2.785 1.119 246 HA SER 846 HA SER 36 6.455 4.972 1.792 247 HB2 SER 846 HB2 SER 36 5.683 4.863 -0.517 248 HB3 SER 846 HB3 SER 36 4.014 4.621 0.025 249 HG SER 846 HG SER 36 4.029 6.700 0.905 250 H LEU 847 H LEU 37 6.108 4.607 4.125 251 HA LEU 847 HA LEU 37 3.322 4.636 5.048 252 HB2 LEU 847 HB2 LEU 37 5.980 4.358 6.479 253 HB3 LEU 847 HB3 LEU 37 4.566 4.914 7.352 254 HG LEU 847 HG LEU 37 3.428 2.799 6.108 255 HD11 LEU 847 HD11 LEU 37 5.457 2.130 4.911 256 HD12 LEU 847 HD12 LEU 37 4.804 0.872 5.986 257 HD13 LEU 847 HD13 LEU 37 6.237 1.797 6.462 258 HD21 LEU 847 HD21 LEU 37 3.406 1.603 8.009 259 HD22 LEU 847 HD22 LEU 37 3.554 3.268 8.568 260 HD23 LEU 847 HD23 LEU 37 4.981 2.199 8.556 261 H ASP 848 H ASP 38 2.358 6.296 6.378 262 HA ASP 848 HA ASP 38 3.478 8.969 5.936 263 HB2 ASP 848 HB2 ASP 38 0.775 8.225 4.798 264 HB3 ASP 848 HB3 ASP 38 1.457 9.840 4.930 265 H PHE 849 H PHE 39 2.609 10.583 7.242 266 HA PHE 849 HA PHE 39 0.366 9.806 9.045 267 HB2 PHE 849 HB2 PHE 39 2.880 11.103 10.174 268 HB3 PHE 849 HB3 PHE 39 1.507 10.435 11.007 269 HD1 PHE 849 HD1 PHE 39 1.036 8.018 10.951 270 HD2 PHE 849 HD2 PHE 39 4.660 9.602 9.296 271 HE1 PHE 849 HE1 PHE 39 1.994 5.724 10.903 272 HE2 PHE 849 HE2 PHE 39 5.582 7.302 9.120 273 HZ PHE 849 HZ PHE 39 4.246 5.355 9.915 274 H CYS 850 H CYS 40 -0.839 11.432 10.069 275 HA CYS 850 HA CYS 40 -1.117 13.949 8.791 276 HB2 CYS 850 HB2 CYS 40 -2.042 13.025 11.547 277 HB3 CYS 850 HB3 CYS 40 -2.709 14.379 10.630 278 H ASP 851 H ASP 41 -1.118 16.042 10.039 279 HA ASP 851 HA ASP 41 1.415 16.897 10.895 280 HB2 ASP 851 HB2 ASP 41 0.384 18.938 11.402 281 HB3 ASP 851 HB3 ASP 41 -0.503 18.292 10.040 282 H SER 852 H SER 42 -1.176 15.505 12.805 283 HA SER 852 HA SER 42 0.144 15.941 15.386 284 HB2 SER 852 HB2 SER 42 -2.298 16.121 15.177 285 HB3 SER 852 HB3 SER 42 -2.378 14.437 14.607 286 HG SER 852 HG SER 42 -2.819 14.677 16.889 287 H CYS 853 H CYS 43 -0.528 13.247 13.125 288 HA CYS 853 HA CYS 43 0.144 11.159 14.923 289 HB2 CYS 853 HB2 CYS 43 -0.321 11.457 11.965 290 HB3 CYS 853 HB3 CYS 43 -0.037 9.916 12.737 291 H SER 854 H SER 44 1.954 12.986 12.520 292 HA SER 854 HA SER 44 4.252 11.295 12.178 293 HB2 SER 854 HB2 SER 44 5.296 13.360 11.403 294 HB3 SER 854 HB3 SER 44 3.633 13.276 10.808 295 HG SER 854 HG SER 44 4.113 15.343 11.695 296 H ASP 855 H ASP 45 3.225 13.348 14.797 297 HA ASP 855 HA ASP 45 5.805 13.217 16.193 298 HB2 ASP 855 HB2 ASP 45 4.387 15.322 16.111 299 HB3 ASP 855 HB3 ASP 45 3.209 14.485 17.124 300 H CYS 856 H CYS 46 3.070 11.275 15.854 301 HA CYS 856 HA CYS 46 2.828 10.349 18.596 302 HB2 CYS 856 HB2 CYS 46 1.002 10.501 16.764 303 HB3 CYS 856 HB3 CYS 46 1.704 9.010 16.110 304 HG CYS 856 HG CYS 46 1.502 7.595 18.303 305 H LEU 857 H LEU 47 4.755 9.535 15.877 306 HA LEU 857 HA LEU 47 6.219 8.003 15.282 307 HB2 LEU 857 HB2 LEU 47 7.006 8.816 17.744 308 HB3 LEU 857 HB3 LEU 47 6.948 7.086 17.989 309 HG LEU 857 HG LEU 47 9.138 7.602 17.303 310 HD11 LEU 857 HD11 LEU 47 7.822 6.612 14.734 311 HD12 LEU 857 HD12 LEU 47 8.230 5.605 16.148 312 HD13 LEU 857 HD13 LEU 47 9.495 6.439 15.221 313 HD21 LEU 857 HD21 LEU 47 9.774 8.881 15.334 314 HD22 LEU 857 HD22 LEU 47 8.733 9.853 16.379 315 HD23 LEU 857 HD23 LEU 47 8.076 9.136 14.893 316 H HIS 858 H HIS 48 5.302 6.512 14.130 317 HA HIS 858 HA HIS 48 4.076 4.090 15.392 318 HB2 HIS 858 HB2 HIS 48 2.633 5.534 13.948 319 HB3 HIS 858 HB3 HIS 48 3.749 5.250 12.613 320 HD2 HIS 858 HD2 HIS 48 3.140 3.252 11.074 321 HE1 HIS 858 HE1 HIS 48 0.672 1.003 13.727 322 HE2 HIS 858 HE2 HIS 48 1.583 1.140 11.357 323 H GLU 859 H GLU 49 4.646 2.000 14.453 324 HA GLU 859 HA GLU 49 6.883 1.927 12.571 325 HB2 GLU 859 HB2 GLU 49 6.944 0.290 15.160 326 HB3 GLU 859 HB3 GLU 49 8.204 0.389 13.987 327 HG2 GLU 859 HG2 GLU 49 8.592 2.769 14.574 328 HG3 GLU 859 HG3 GLU 49 7.276 2.660 15.748 329 H THR 860 H THR 50 7.168 -0.038 11.435 330 HA THR 860 HA THR 50 5.128 -2.186 11.967 331 HB THR 860 HB THR 50 4.689 -2.536 9.681 332 HG1 THR 860 HG1 THR 50 5.698 -1.300 8.063 333 HG21 THR 860 HG21 THR 50 3.652 -0.480 8.933 334 HG22 THR 860 HG22 THR 50 4.587 0.482 10.118 335 HG23 THR 860 HG23 THR 50 3.393 -0.681 10.686 336 H ASP 861 H ASP 51 6.219 -3.764 9.762 337 HA ASP 861 HA ASP 51 8.489 -5.021 11.082 338 HB2 ASP 861 HB2 ASP 51 7.053 -5.621 8.529 339 HB3 ASP 861 HB3 ASP 51 8.338 -6.603 9.200 340 H ILE 862 H ILE 52 7.907 -2.767 8.509 341 HA ILE 862 HA ILE 52 10.757 -2.741 7.745 342 HB ILE 862 HB ILE 52 8.306 -1.450 6.481 343 HG12 ILE 862 HG12 ILE 52 8.708 -3.851 5.899 344 HG13 ILE 862 HG13 ILE 52 8.682 -2.738 4.557 345 HG21 ILE 862 HG21 ILE 52 10.002 -0.638 4.778 346 HG22 ILE 862 HG22 ILE 52 11.252 -0.968 6.012 347 HG23 ILE 862 HG23 ILE 52 9.972 0.218 6.326 348 HD11 ILE 862 HD11 ILE 52 10.432 -4.449 4.322 349 HD12 ILE 862 HD12 ILE 52 11.221 -3.858 5.797 350 HD13 ILE 862 HD13 ILE 52 11.109 -2.811 4.350 351 H HIS 863 H HIS 53 8.033 -0.687 8.794 352 HA HIS 863 HA HIS 53 9.630 1.720 8.881 353 HB2 HIS 863 HB2 HIS 53 7.352 1.995 8.378 354 HB3 HIS 863 HB3 HIS 53 6.792 0.937 9.589 355 HD1 HIS 863 HD1 HIS 53 8.789 3.204 11.793 356 HD2 HIS 863 HD2 HIS 53 5.847 4.033 10.564 357 HE1 HIS 863 HE1 HIS 53 9.078 5.459 10.795 358 H LYS 864 H LYS 54 10.912 2.384 10.569 359 HA LYS 864 HA LYS 54 10.067 1.545 13.311 360 HB2 LYS 864 HB2 LYS 54 12.870 1.408 12.158 361 HB3 LYS 864 HB3 LYS 54 12.383 1.127 13.816 362 HG2 LYS 864 HG2 LYS 54 11.524 -0.577 11.377 363 HG3 LYS 864 HG3 LYS 54 12.854 -0.950 12.432 364 HD2 LYS 864 HD2 LYS 54 11.248 -1.192 14.369 365 HD3 LYS 864 HD3 LYS 54 9.943 -0.962 13.265 366 HE2 LYS 864 HE2 LYS 54 10.046 -3.236 13.209 367 HE3 LYS 864 HE3 LYS 54 11.020 -2.831 11.810 368 HZ1 LYS 864 HZ1 LYS 54 12.101 -3.531 14.508 369 HZ2 LYS 864 HZ2 LYS 54 13.032 -3.149 13.213 370 HZ3 LYS 864 HZ3 LYS 54 12.124 -4.507 13.209 371 H GLU 865 H GLU 55 11.076 2.800 15.096 372 HA GLU 865 HA GLU 55 11.318 5.598 14.507 373 HB2 GLU 865 HB2 GLU 55 11.598 5.891 16.821 374 HB3 GLU 865 HB3 GLU 55 10.414 4.615 16.601 375 HG2 GLU 865 HG2 GLU 55 12.290 2.934 16.998 376 HG3 GLU 865 HG3 GLU 55 13.351 4.286 17.389 377 H ASP 866 H ASP 56 13.458 3.326 13.641 378 HA ASP 866 HA ASP 56 16.014 4.477 14.327 379 HB2 ASP 866 HB2 ASP 56 15.085 2.513 12.269 380 HB3 ASP 866 HB3 ASP 56 16.759 2.982 12.450 381 H HIS 867 H HIS 57 13.440 5.135 11.953 382 HA HIS 867 HA HIS 57 15.204 6.933 10.463 383 HB2 HIS 867 HB2 HIS 57 13.550 6.424 8.648 384 HB3 HIS 867 HB3 HIS 57 14.760 5.233 9.016 385 HD1 HIS 867 HD1 HIS 57 13.584 3.262 7.979 386 HD2 HIS 867 HD2 HIS 57 11.184 5.706 10.352 387 HE1 HIS 867 HE1 HIS 57 11.218 3.213 7.013 388 H GLN 868 H GLN 58 13.696 8.353 9.183 389 HA GLN 868 HA GLN 58 12.055 9.920 11.081 390 HB2 GLN 868 HB2 GLN 58 13.204 11.894 10.663 391 HB3 GLN 868 HB3 GLN 58 14.359 10.656 11.158 392 HG2 GLN 868 HG2 GLN 58 14.942 10.345 8.689 393 HG3 GLN 868 HG3 GLN 58 13.933 11.768 8.350 394 HE21 GLN 868 HE21 GLN 58 14.679 13.279 10.774 395 HE22 GLN 868 HE22 GLN 58 16.395 13.578 10.675 396 H LEU 869 H LEU 59 10.807 11.652 10.104 397 HA LEU 869 HA LEU 59 9.660 10.900 7.457 398 HB2 LEU 869 HB2 LEU 59 8.486 12.681 9.619 399 HB3 LEU 869 HB3 LEU 59 7.680 11.982 8.211 400 HG LEU 869 HG LEU 59 6.823 10.918 10.030 401 HD11 LEU 869 HD11 LEU 59 7.369 8.574 9.700 402 HD12 LEU 869 HD12 LEU 59 8.859 9.019 8.867 403 HD13 LEU 869 HD13 LEU 59 7.273 9.460 8.162 404 HD21 LEU 869 HD21 LEU 59 8.620 11.409 11.714 405 HD22 LEU 869 HD22 LEU 59 9.475 9.960 11.113 406 HD23 LEU 869 HD23 LEU 59 7.862 9.815 11.815 407 H GLU 870 H GLU 60 8.887 12.555 6.050 408 HA GLU 870 HA GLU 60 10.343 15.167 6.187 409 HB2 GLU 870 HB2 GLU 60 11.008 13.572 4.345 410 HB3 GLU 870 HB3 GLU 60 9.370 13.625 3.773 411 HG2 GLU 870 HG2 GLU 60 10.479 15.027 2.386 412 HG3 GLU 870 HG3 GLU 60 9.678 16.155 3.477 413 HA PRO 871 HA PRO 61 6.045 16.656 6.240 414 HB2 PRO 871 HB2 PRO 61 6.483 19.298 6.694 415 HB3 PRO 871 HB3 PRO 61 6.660 18.059 7.962 416 HG2 PRO 871 HG2 PRO 61 8.824 19.390 6.336 417 HG3 PRO 871 HG3 PRO 61 8.824 18.988 8.080 418 HD2 PRO 871 HD2 PRO 61 10.006 17.451 6.070 419 HD3 PRO 871 HD3 PRO 61 9.503 16.806 7.648 420 H ILE 872 H ILE 62 4.779 17.273 4.504 421 HA ILE 872 HA ILE 62 6.095 18.680 2.216 422 HB ILE 872 HB ILE 62 3.843 16.766 1.854 423 HG12 ILE 872 HG12 ILE 62 5.548 15.366 2.966 424 HG13 ILE 872 HG13 ILE 62 5.247 14.881 1.324 425 HG21 ILE 872 HG21 ILE 62 4.667 16.717 -0.461 426 HG22 ILE 872 HG22 ILE 62 6.075 17.703 -0.012 427 HG23 ILE 872 HG23 ILE 62 4.464 18.392 0.062 428 HD11 ILE 872 HD11 ILE 62 7.595 16.629 2.107 429 HD12 ILE 872 HD12 ILE 62 7.309 15.852 0.540 430 HD13 ILE 872 HD13 ILE 62 7.656 14.860 1.970 431 H TYR 873 H TYR 63 5.359 20.570 2.032 432 HA TYR 873 HA TYR 63 2.822 21.384 3.242 433 HB2 TYR 873 HB2 TYR 63 5.225 22.998 2.321 434 HB3 TYR 873 HB3 TYR 63 3.786 23.664 3.080 435 HD1 TYR 873 HD1 TYR 63 7.022 22.208 3.724 436 HD2 TYR 873 HD2 TYR 63 3.097 22.831 5.403 437 HE1 TYR 873 HE1 TYR 63 7.943 21.862 6.006 438 HE2 TYR 873 HE2 TYR 63 4.020 22.479 7.692 439 HH TYR 873 HH TYR 63 7.512 21.948 8.289 440 H ARG 874 H ARG 64 3.222 20.073 0.538 441 HA ARG 874 HA ARG 64 1.283 21.651 -0.960 442 HB2 ARG 874 HB2 ARG 64 2.684 21.768 -2.996 443 HB3 ARG 874 HB3 ARG 64 3.307 22.769 -1.683 444 HG2 ARG 874 HG2 ARG 64 5.118 21.229 -1.241 445 HG3 ARG 874 HG3 ARG 64 4.377 19.975 -2.243 446 HD2 ARG 874 HD2 ARG 64 6.147 20.901 -3.500 447 HD3 ARG 874 HD3 ARG 64 4.600 21.390 -4.229 448 HE ARG 874 HE ARG 64 5.556 23.407 -2.391 449 HH11 ARG 874 HH11 ARG 64 6.256 22.219 -5.609 450 HH12 ARG 874 HH12 ARG 64 6.910 23.750 -6.128 451 HH21 ARG 874 HH21 ARG 64 6.403 25.331 -3.125 452 HH22 ARG 874 HH22 ARG 64 6.985 25.459 -4.757 453 H1 ALA 1 H1 ALA 65 -0.084 6.104 4.106 454 H2 ALA 1 H2 ALA 65 1.463 6.275 3.561 455 H3 ALA 1 H3 ALA 65 1.116 5.194 4.760 456 HA ALA 1 HA ALA 65 1.483 4.074 2.695 457 HB1 ALA 1 HB1 ALA 65 -0.646 2.811 2.543 458 HB2 ALA 1 HB2 ALA 65 -1.389 3.978 3.660 459 HB3 ALA 1 HB3 ALA 65 -0.024 2.950 4.188 460 H ARG 2 H ARG 66 1.615 4.407 0.604 461 HA ARG 2 HA ARG 66 0.068 6.302 -0.886 462 HB2 ARG 2 HB2 ARG 66 1.108 5.480 -2.815 463 HB3 ARG 2 HB3 ARG 66 2.311 5.345 -1.555 464 HG2 ARG 2 HG2 ARG 66 0.710 3.100 -2.847 465 HG3 ARG 2 HG3 ARG 66 2.418 3.424 -3.032 466 HD2 ARG 2 HD2 ARG 66 2.888 2.767 -0.749 467 HD3 ARG 2 HD3 ARG 66 1.174 2.575 -0.371 468 HE ARG 2 HE ARG 66 2.892 0.671 -1.659 469 HH11 ARG 2 HH11 ARG 66 2.166 -1.304 -2.133 470 HH12 ARG 2 HH12 ARG 66 0.461 -1.644 -2.232 471 HH21 ARG 2 HH21 ARG 66 -0.537 1.580 -1.455 472 HH22 ARG 2 HH22 ARG 66 -1.033 -0.052 -1.824 473 H THR 3 H THR 67 -1.947 6.285 -1.488 474 HA THR 3 HA THR 67 -3.395 3.803 -2.253 475 HB THR 3 HB THR 67 -5.410 4.654 -1.028 476 HG1 THR 3 HG1 THR 67 -5.207 6.267 0.434 477 HG21 THR 3 HG21 THR 67 -4.809 3.884 1.167 478 HG22 THR 3 HG22 THR 67 -3.087 4.190 0.876 479 HG23 THR 3 HG23 THR 67 -3.928 2.896 -0.009 480 HH31 ALY 4 H26 ALY 68 1.968 13.746 -4.892 481 HH32 ALY 4 H27 ALY 68 1.216 15.351 -5.064 482 HH33 ALY 4 H28 ALY 68 1.728 14.448 -6.508 483 HZ ALY 4 HZ1 ALY 68 0.778 12.111 -6.476 484 HE3 ALY 4 HE3 ALY 68 -2.105 12.116 -5.688 485 HE2 ALY 4 HE2 ALY 68 -1.585 11.615 -7.312 486 HD3 ALY 4 HD3 ALY 68 -0.244 9.789 -6.313 487 HD2 ALY 4 HD2 ALY 68 -0.688 10.349 -4.693 488 HG3 ALY 4 HG3 ALY 68 -3.124 9.943 -5.306 489 HG2 ALY 4 HG2 ALY 68 -2.545 9.188 -6.803 490 HB3 ALY 4 HB3 ALY 68 -1.169 7.599 -5.379 491 HB2 ALY 4 HB2 ALY 68 -1.844 8.379 -3.951 492 HCA ALY 4 HA ALY 68 -4.154 7.699 -4.808 493 H ALY 4 H ALY 68 -2.077 5.842 -3.790 494 H GLN 5 H GLN 69 -5.212 5.679 -5.685 495 HA GLN 5 HA GLN 69 -5.755 4.163 -7.261 496 HB2 GLN 5 HB2 GLN 69 -4.388 6.003 -9.255 497 HB3 GLN 5 HB3 GLN 69 -5.565 4.736 -9.607 498 HG2 GLN 5 HG2 GLN 69 -7.219 5.966 -8.111 499 HG3 GLN 5 HG3 GLN 69 -6.071 7.312 -8.076 500 HE21 GLN 5 HE21 GLN 69 -5.221 7.769 -10.601 501 HE22 GLN 5 HE22 GLN 69 -6.585 7.950 -11.689 502 H THR 6 H THR 70 -3.243 3.813 -5.811 503 HA THR 6 HA THR 70 -1.299 2.566 -7.581 504 HB THR 6 HB THR 70 -0.191 2.090 -5.296 505 HG1 THR 6 HG1 THR 70 -1.972 2.304 -3.935 506 HG21 THR 6 HG21 THR 70 0.436 4.016 -6.720 507 HG22 THR 6 HG22 THR 70 0.495 4.405 -4.992 508 HG23 THR 6 HG23 THR 70 -0.862 4.974 -5.975 509 H ALA 7 H ALA 71 -4.109 1.355 -5.998 510 HA ALA 7 HA ALA 71 -3.224 -1.342 -5.504 511 HB1 ALA 7 HB1 ALA 71 -6.015 -0.204 -5.941 512 HB2 ALA 7 HB2 ALA 71 -5.171 -0.317 -4.380 513 HB3 ALA 7 HB3 ALA 71 -5.631 -1.797 -5.252 514 H ARG 8 H ARG 72 -3.686 -3.235 -6.653 515 HA ARG 8 HA ARG 72 -4.446 -3.109 -9.520 516 HB2 ARG 8 HB2 ARG 72 -1.911 -4.390 -8.416 517 HB3 ARG 8 HB3 ARG 72 -2.539 -4.664 -10.032 518 HG2 ARG 8 HG2 ARG 72 -1.575 -1.980 -8.943 519 HG3 ARG 8 HG3 ARG 72 -0.659 -3.049 -9.992 520 HD2 ARG 8 HD2 ARG 72 -3.280 -1.702 -10.743 521 HD3 ARG 8 HD3 ARG 72 -1.669 -1.147 -11.201 522 HE ARG 8 HE ARG 72 -1.753 -3.767 -12.105 523 HH11 ARG 8 HH11 ARG 72 -3.648 -0.898 -12.796 524 HH12 ARG 8 HH12 ARG 72 -4.041 -1.438 -14.405 525 HH21 ARG 8 HH21 ARG 72 -2.317 -4.399 -14.152 526 HH22 ARG 8 HH22 ARG 72 -3.299 -3.367 -15.151 Start of MODEL 20 1 H1 GLY 811 H1 GLY 1 -0.748 28.577 -2.646 2 H2 GLY 811 H2 GLY 1 -2.308 28.978 -2.958 3 H3 GLY 811 H3 GLY 1 -1.490 28.010 -3.992 4 HA2 GLY 811 HA2 GLY 1 -3.026 26.694 -2.686 5 HA3 GLY 811 HA3 GLY 1 -1.344 26.244 -2.366 6 HA PRO 812 HA PRO 2 -3.734 27.895 1.424 7 HB2 PRO 812 HB2 PRO 2 -5.048 25.772 2.515 8 HB3 PRO 812 HB3 PRO 2 -5.693 26.679 1.115 9 HG2 PRO 812 HG2 PRO 2 -4.082 24.100 1.057 10 HG3 PRO 812 HG3 PRO 2 -5.654 24.439 0.261 11 HD2 PRO 812 HD2 PRO 2 -3.301 24.682 -1.076 12 HD3 PRO 812 HD3 PRO 2 -4.649 25.833 -1.348 13 H LEU 813 H LEU 3 -1.580 25.286 1.077 14 HA LEU 813 HA LEU 3 0.077 24.312 2.227 15 HB2 LEU 813 HB2 LEU 3 -0.002 26.675 4.103 16 HB3 LEU 813 HB3 LEU 3 1.337 25.565 3.862 17 HG LEU 813 HG LEU 3 0.270 27.490 1.744 18 HD11 LEU 813 HD11 LEU 3 1.328 28.650 3.630 19 HD12 LEU 813 HD12 LEU 3 2.332 28.743 2.172 20 HD13 LEU 813 HD13 LEU 3 2.763 27.614 3.476 21 HD21 LEU 813 HD21 LEU 3 2.346 26.951 0.521 22 HD22 LEU 813 HD22 LEU 3 1.349 25.505 0.730 23 HD23 LEU 813 HD23 LEU 3 2.780 25.757 1.762 24 H GLY 814 H GLY 4 -2.442 25.311 4.504 25 HA2 GLY 814 HA2 GLY 4 -1.779 23.075 6.354 26 HA3 GLY 814 HA3 GLY 4 -2.807 24.466 6.686 27 H SER 815 H SER 5 -3.603 23.039 3.709 28 HA SER 815 HA SER 5 -5.807 21.411 4.803 29 HB2 SER 815 HB2 SER 5 -6.227 23.626 2.770 30 HB3 SER 815 HB3 SER 5 -7.465 22.555 3.442 31 HG SER 815 HG SER 5 -7.449 24.573 4.526 32 H VAL 816 H VAL 6 -3.294 20.778 3.309 33 HA VAL 816 HA VAL 6 -3.737 20.209 0.566 34 HB VAL 816 HB VAL 6 -1.781 19.157 2.665 35 HG11 VAL 816 HG11 VAL 6 -1.657 17.768 0.768 36 HG12 VAL 816 HG12 VAL 6 -0.220 18.799 0.827 37 HG13 VAL 816 HG13 VAL 6 -1.523 19.169 -0.335 38 HG21 VAL 816 HG21 VAL 6 -0.288 20.854 2.098 39 HG22 VAL 816 HG22 VAL 6 -1.786 21.702 2.373 40 HG23 VAL 816 HG23 VAL 6 -1.274 21.410 0.701 41 H GLN 817 H GLN 7 -4.677 18.525 -0.406 42 HA GLN 817 HA GLN 7 -5.383 16.135 1.196 43 HB2 GLN 817 HB2 GLN 7 -6.654 15.518 -0.715 44 HB3 GLN 817 HB3 GLN 7 -7.021 17.188 -0.310 45 HG2 GLN 817 HG2 GLN 7 -6.660 17.706 -2.455 46 HG3 GLN 817 HG3 GLN 7 -4.966 17.507 -2.171 47 HE21 GLN 817 HE21 GLN 7 -7.404 16.490 -4.261 48 HE22 GLN 817 HE22 GLN 7 -6.653 15.000 -4.795 49 H HIS 818 H HIS 8 -4.360 14.187 0.988 50 HA HIS 818 HA HIS 8 -2.572 13.755 -1.361 51 HB2 HIS 818 HB2 HIS 8 -1.894 13.550 1.507 52 HB3 HIS 818 HB3 HIS 8 -1.424 12.166 0.535 53 HD2 HIS 818 HD2 HIS 8 -0.592 15.797 1.040 54 HE1 HIS 818 HE1 HIS 8 1.748 14.618 -2.308 55 HE2 HIS 818 HE2 HIS 8 1.239 16.527 -0.729 56 H VAL 819 H VAL 9 -4.648 13.154 -2.199 57 HA VAL 819 HA VAL 9 -5.835 10.592 -1.806 58 HB VAL 819 HB VAL 9 -5.570 12.408 -4.196 59 HG11 VAL 819 HG11 VAL 9 -5.849 10.136 -5.103 60 HG12 VAL 819 HG12 VAL 9 -7.336 11.078 -5.259 61 HG13 VAL 819 HG13 VAL 9 -7.206 9.842 -3.979 62 HG21 VAL 819 HG21 VAL 9 -7.977 12.773 -3.697 63 HG22 VAL 819 HG22 VAL 9 -7.006 13.136 -2.265 64 HG23 VAL 819 HG23 VAL 9 -7.889 11.607 -2.358 65 H GLY 820 H GLY 10 -4.984 8.658 -1.888 66 HA2 GLY 820 HA2 GLY 10 -3.634 6.923 -2.812 67 HA3 GLY 820 HA3 GLY 10 -2.551 8.122 -3.503 68 H PHE 821 H PHE 11 -3.104 9.076 -0.264 69 HA PHE 821 HA PHE 11 -1.013 7.240 0.834 70 HB2 PHE 821 HB2 PHE 11 -0.953 10.218 1.271 71 HB3 PHE 821 HB3 PHE 11 0.236 9.023 1.734 72 HD1 PHE 821 HD1 PHE 11 -1.322 10.679 -1.237 73 HD2 PHE 821 HD2 PHE 11 2.129 8.712 0.407 74 HE1 PHE 821 HE1 PHE 11 -0.002 11.427 -3.177 75 HE2 PHE 821 HE2 PHE 11 3.449 9.389 -1.611 76 HZ PHE 821 HZ PHE 11 2.399 10.899 -3.302 77 H LYS 822 H LYS 12 -2.465 6.155 2.065 78 HA LYS 822 HA LYS 12 -4.155 7.530 4.107 79 HB2 LYS 822 HB2 LYS 12 -5.361 5.888 3.233 80 HB3 LYS 822 HB3 LYS 12 -4.046 4.885 2.808 81 HG2 LYS 822 HG2 LYS 12 -4.761 5.153 5.772 82 HG3 LYS 822 HG3 LYS 12 -5.847 4.337 4.708 83 HD2 LYS 822 HD2 LYS 12 -4.020 2.810 3.927 84 HD3 LYS 822 HD3 LYS 12 -2.890 3.679 4.971 85 HE2 LYS 822 HE2 LYS 12 -3.481 1.608 6.000 86 HE3 LYS 822 HE3 LYS 12 -4.081 2.961 6.965 87 HZ1 LYS 822 HZ1 LYS 12 -5.745 1.146 6.719 88 HZ2 LYS 822 HZ2 LYS 12 -5.770 1.334 5.100 89 HZ3 LYS 822 HZ3 LYS 12 -6.327 2.528 6.087 90 H CYS 823 H CYS 13 -3.748 7.462 6.271 91 HA CYS 823 HA CYS 13 -1.026 7.475 7.128 92 HB2 CYS 823 HB2 CYS 13 -2.786 8.945 7.980 93 HB3 CYS 823 HB3 CYS 13 -3.661 7.535 8.559 94 H ASP 824 H ASP 14 -0.021 6.276 8.650 95 HA ASP 824 HA ASP 14 -0.756 3.382 8.926 96 HB2 ASP 824 HB2 ASP 14 1.832 4.922 9.282 97 HB3 ASP 824 HB3 ASP 14 1.628 3.268 9.829 98 H ASN 825 H ASN 15 -0.258 6.290 10.864 99 HA ASN 825 HA ASN 15 -0.120 4.936 13.428 100 HB2 ASN 825 HB2 ASN 15 0.656 7.255 13.159 101 HB3 ASN 825 HB3 ASN 15 -1.014 7.757 12.759 102 HD21 ASN 825 HD21 ASN 15 -1.345 9.133 14.519 103 HD22 ASN 825 HD22 ASN 15 -1.331 8.548 16.188 104 H CYS 826 H CYS 16 -2.884 6.659 11.852 105 HA CYS 826 HA CYS 16 -4.713 5.264 13.717 106 HB2 CYS 826 HB2 CYS 16 -5.996 7.176 13.807 107 HB3 CYS 826 HB3 CYS 16 -4.343 7.770 13.902 108 H GLY 827 H GLY 17 -3.926 5.387 10.377 109 HA2 GLY 827 HA2 GLY 17 -4.566 3.792 8.868 110 HA3 GLY 827 HA3 GLY 17 -5.962 3.377 9.833 111 H ILE 828 H ILE 18 -5.888 6.731 9.560 112 HA ILE 828 HA ILE 18 -8.236 6.859 8.082 113 HB ILE 828 HB ILE 18 -7.596 8.548 9.679 114 HG12 ILE 828 HG12 ILE 18 -7.808 9.900 6.969 115 HG13 ILE 828 HG13 ILE 18 -9.151 9.077 7.701 116 HG21 ILE 828 HG21 ILE 18 -5.465 9.473 7.673 117 HG22 ILE 828 HG22 ILE 18 -5.143 8.672 9.206 118 HG23 ILE 828 HG23 ILE 18 -5.918 10.233 9.211 119 HD11 ILE 828 HD11 ILE 18 -9.357 11.422 8.180 120 HD12 ILE 828 HD12 ILE 18 -7.725 11.499 8.866 121 HD13 ILE 828 HD13 ILE 18 -8.998 10.578 9.700 122 H GLU 829 H GLU 19 -8.775 7.367 6.110 123 HA GLU 829 HA GLU 19 -7.226 6.618 3.868 124 HB2 GLU 829 HB2 GLU 19 -9.072 8.165 2.759 125 HB3 GLU 829 HB3 GLU 19 -9.387 6.518 3.169 126 HG2 GLU 829 HG2 GLU 19 -10.047 8.866 5.023 127 HG3 GLU 829 HG3 GLU 19 -11.137 8.324 3.753 128 HA PRO 830 HA PRO 20 -4.785 9.610 1.838 129 HB2 PRO 830 HB2 PRO 20 -7.529 10.718 1.145 130 HB3 PRO 830 HB3 PRO 20 -6.026 10.682 0.178 131 HG2 PRO 830 HG2 PRO 20 -8.026 8.744 0.207 132 HG3 PRO 830 HG3 PRO 20 -6.394 8.511 -0.484 133 HD2 PRO 830 HD2 PRO 20 -7.334 7.127 1.724 134 HD3 PRO 830 HD3 PRO 20 -5.617 7.395 1.340 135 H ILE 831 H ILE 21 -3.729 10.561 3.434 136 HA ILE 831 HA ILE 21 -4.636 12.062 5.534 137 HB ILE 831 HB ILE 21 -1.990 12.137 4.051 138 HG12 ILE 831 HG12 ILE 21 -2.566 10.892 6.773 139 HG13 ILE 831 HG13 ILE 21 -2.945 10.011 5.313 140 HG21 ILE 831 HG21 ILE 21 -2.685 13.467 6.706 141 HG22 ILE 831 HG22 ILE 21 -2.038 14.247 5.251 142 HG23 ILE 831 HG23 ILE 21 -1.027 13.155 6.183 143 HD11 ILE 831 HD11 ILE 21 -0.724 9.420 6.139 144 HD12 ILE 831 HD12 ILE 21 -0.182 11.090 5.923 145 HD13 ILE 831 HD13 ILE 21 -0.673 10.127 4.511 146 H GLN 832 H GLN 22 -5.094 14.055 6.099 147 HA GLN 832 HA GLN 22 -5.274 16.097 3.933 148 HB2 GLN 832 HB2 GLN 22 -7.056 15.732 6.357 149 HB3 GLN 832 HB3 GLN 22 -7.215 16.979 5.121 150 HG2 GLN 832 HG2 GLN 22 -7.467 13.985 4.590 151 HG3 GLN 832 HG3 GLN 22 -8.804 15.075 4.849 152 HE21 GLN 832 HE21 GLN 22 -7.413 13.480 2.397 153 HE22 GLN 832 HE22 GLN 22 -7.800 14.635 1.115 154 H GLY 833 H GLY 23 -4.527 18.056 4.225 155 HA2 GLY 833 HA2 GLY 23 -4.187 20.029 5.611 156 HA3 GLY 833 HA3 GLY 23 -3.529 19.029 6.863 157 H VAL 834 H VAL 24 -1.729 17.571 6.071 158 HA VAL 834 HA VAL 24 0.227 18.601 4.195 159 HB VAL 834 HB VAL 24 0.426 19.928 6.281 160 HG11 VAL 834 HG11 VAL 24 1.243 17.393 7.679 161 HG12 VAL 834 HG12 VAL 24 -0.297 18.266 7.901 162 HG13 VAL 834 HG13 VAL 24 1.231 19.044 8.343 163 HG21 VAL 834 HG21 VAL 24 2.788 18.073 5.776 164 HG22 VAL 834 HG22 VAL 24 2.862 19.591 6.692 165 HG23 VAL 834 HG23 VAL 24 2.460 19.645 4.982 166 H ARG 835 H ARG 25 1.418 16.761 3.433 167 HA ARG 835 HA ARG 25 0.713 14.138 4.697 168 HB2 ARG 835 HB2 ARG 25 0.612 13.895 2.410 169 HB3 ARG 835 HB3 ARG 25 2.054 14.860 2.090 170 HG2 ARG 835 HG2 ARG 25 3.459 13.058 3.043 171 HG3 ARG 835 HG3 ARG 25 1.995 12.089 3.336 172 HD2 ARG 835 HD2 ARG 25 1.593 12.011 0.891 173 HD3 ARG 835 HD3 ARG 25 3.026 13.014 0.621 174 HE ARG 835 HE ARG 25 3.163 10.364 2.060 175 HH11 ARG 835 HH11 ARG 25 4.562 12.279 -0.565 176 HH12 ARG 835 HH12 ARG 25 5.853 11.126 -0.739 177 HH21 ARG 835 HH21 ARG 25 4.649 9.061 1.761 178 HH22 ARG 835 HH22 ARG 25 6.002 9.375 0.691 179 H TRP 836 H TRP 26 2.373 12.725 5.460 180 HA TRP 836 HA TRP 26 4.940 14.082 6.142 181 HB2 TRP 836 HB2 TRP 26 3.259 12.531 8.097 182 HB3 TRP 836 HB3 TRP 26 4.960 12.751 8.264 183 HD1 TRP 836 HD1 TRP 26 1.797 14.773 8.548 184 HE1 TRP 836 HE1 TRP 26 2.372 17.003 9.771 185 HE3 TRP 836 HE3 TRP 26 6.841 14.607 8.194 186 HZ2 TRP 836 HZ2 TRP 26 4.734 18.234 10.851 187 HZ3 TRP 836 HZ3 TRP 26 8.275 16.162 9.491 188 HH2 TRP 836 HH2 TRP 26 7.234 17.945 10.871 189 H HIS 837 H HIS 27 6.137 13.165 4.685 190 HA HIS 837 HA HIS 27 6.025 10.253 3.992 191 HB2 HIS 837 HB2 HIS 27 6.341 11.873 2.168 192 HB3 HIS 837 HB3 HIS 27 7.622 12.672 3.029 193 HD2 HIS 837 HD2 HIS 27 10.044 11.941 2.554 194 HE1 HIS 837 HE1 HIS 27 9.302 8.252 0.544 195 HE2 HIS 837 HE2 HIS 27 11.101 9.915 1.233 196 H CYS 838 H CYS 28 7.208 8.803 5.253 197 HA CYS 838 HA CYS 28 9.152 9.704 7.170 198 HB2 CYS 838 HB2 CYS 28 7.685 7.716 7.250 199 HB3 CYS 838 HB3 CYS 28 8.778 6.993 6.057 200 H GLN 839 H GLN 29 11.253 9.997 7.056 201 HA GLN 839 HA GLN 29 12.393 10.596 4.484 202 HB2 GLN 839 HB2 GLN 29 13.749 10.437 7.197 203 HB3 GLN 839 HB3 GLN 29 14.416 11.233 5.790 204 HG2 GLN 839 HG2 GLN 29 11.736 12.161 6.884 205 HG3 GLN 839 HG3 GLN 29 13.215 12.557 7.740 206 HE21 GLN 839 HE21 GLN 29 12.159 14.725 7.257 207 HE22 GLN 839 HE22 GLN 29 12.578 15.485 5.731 208 H ASP 840 H ASP 30 12.810 7.915 6.809 209 HA ASP 840 HA ASP 30 15.042 6.787 5.178 210 HB2 ASP 840 HB2 ASP 30 15.223 7.322 7.681 211 HB3 ASP 840 HB3 ASP 30 13.971 6.189 7.890 212 H CYS 841 H CYS 31 11.670 6.013 6.112 213 HA CYS 841 HA CYS 31 11.720 3.223 5.517 214 HB2 CYS 841 HB2 CYS 31 9.526 5.301 5.395 215 HB3 CYS 841 HB3 CYS 31 9.283 3.681 4.800 216 HA PRO 842 HA PRO 32 12.437 3.430 1.122 217 HB2 PRO 842 HB2 PRO 32 11.781 0.932 0.269 218 HB3 PRO 842 HB3 PRO 32 13.164 1.233 1.369 219 HG2 PRO 842 HG2 PRO 32 10.368 0.331 2.108 220 HG3 PRO 842 HG3 PRO 32 11.931 -0.349 2.654 221 HD2 PRO 842 HD2 PRO 32 10.472 1.511 4.101 222 HD3 PRO 842 HD3 PRO 32 12.248 1.365 4.191 223 HA PRO 843 HA PRO 33 8.600 4.707 -0.796 224 HB2 PRO 843 HB2 PRO 33 9.759 3.461 -3.307 225 HB3 PRO 843 HB3 PRO 33 8.939 5.040 -3.112 226 HG2 PRO 843 HG2 PRO 33 11.628 4.958 -3.215 227 HG3 PRO 843 HG3 PRO 33 10.842 5.953 -1.941 228 HD2 PRO 843 HD2 PRO 33 12.010 3.165 -1.700 229 HD3 PRO 843 HD3 PRO 33 12.203 4.581 -0.620 230 H GLU 844 H GLU 34 9.673 1.397 -1.490 231 HA GLU 844 HA GLU 34 7.268 0.222 -2.370 232 HB2 GLU 844 HB2 GLU 34 9.494 -0.823 -2.434 233 HB3 GLU 844 HB3 GLU 34 9.516 -0.949 -0.666 234 HG2 GLU 844 HG2 GLU 34 7.719 -2.575 -0.693 235 HG3 GLU 844 HG3 GLU 34 7.387 -2.259 -2.401 236 H MET 845 H MET 35 8.269 1.016 0.906 237 HA MET 845 HA MET 35 5.814 -0.174 2.124 238 HB2 MET 845 HB2 MET 35 8.309 1.102 3.309 239 HB3 MET 845 HB3 MET 35 6.952 0.547 4.273 240 HG2 MET 845 HG2 MET 35 8.515 -1.258 2.401 241 HG3 MET 845 HG3 MET 35 8.872 -1.044 4.107 242 HE1 MET 845 HE1 MET 35 6.055 -1.076 5.660 243 HE2 MET 845 HE2 MET 35 7.516 -1.987 6.103 244 HE3 MET 845 HE3 MET 35 5.955 -2.817 5.962 245 H SER 846 H SER 36 7.479 2.975 1.821 246 HA SER 846 HA SER 36 6.882 5.119 2.331 247 HB2 SER 846 HB2 SER 36 6.071 4.828 0.080 248 HB3 SER 846 HB3 SER 36 4.508 4.242 0.678 249 HG SER 846 HG SER 36 4.093 6.286 1.534 250 H LEU 847 H LEU 37 6.702 4.761 4.675 251 HA LEU 847 HA LEU 37 3.963 4.527 5.701 252 HB2 LEU 847 HB2 LEU 37 6.648 4.589 7.087 253 HB3 LEU 847 HB3 LEU 37 5.186 5.034 7.951 254 HG LEU 847 HG LEU 37 4.278 2.763 6.745 255 HD11 LEU 847 HD11 LEU 37 6.392 2.269 5.635 256 HD12 LEU 847 HD12 LEU 37 5.844 0.984 6.738 257 HD13 LEU 847 HD13 LEU 37 7.160 2.074 7.217 258 HD21 LEU 847 HD21 LEU 37 5.793 2.337 9.233 259 HD22 LEU 847 HD22 LEU 37 4.257 1.664 8.682 260 HD23 LEU 847 HD23 LEU 37 4.316 3.344 9.210 261 H ASP 848 H ASP 38 2.747 6.099 6.673 262 HA ASP 848 HA ASP 38 3.574 8.865 6.086 263 HB2 ASP 848 HB2 ASP 38 1.030 7.645 4.985 264 HB3 ASP 848 HB3 ASP 38 1.504 9.332 4.913 265 H PHE 849 H PHE 39 2.512 10.449 7.252 266 HA PHE 849 HA PHE 39 0.402 9.551 9.160 267 HB2 PHE 849 HB2 PHE 39 2.823 11.171 10.037 268 HB3 PHE 849 HB3 PHE 39 1.537 10.503 11.018 269 HD1 PHE 849 HD1 PHE 39 4.671 9.721 9.241 270 HD2 PHE 849 HD2 PHE 39 1.292 8.069 11.299 271 HE1 PHE 849 HE1 PHE 39 5.806 7.532 9.333 272 HE2 PHE 849 HE2 PHE 39 2.466 5.880 11.503 273 HZ PHE 849 HZ PHE 39 4.708 5.586 10.466 274 H CYS 850 H CYS 40 -1.050 11.037 9.961 275 HA CYS 850 HA CYS 40 -1.569 13.421 8.556 276 HB2 CYS 850 HB2 CYS 40 -2.434 12.559 11.346 277 HB3 CYS 850 HB3 CYS 40 -3.279 13.721 10.325 278 H ASP 851 H ASP 41 -1.958 15.555 9.713 279 HA ASP 851 HA ASP 41 0.409 16.836 10.507 280 HB2 ASP 851 HB2 ASP 41 -0.926 18.727 10.884 281 HB3 ASP 851 HB3 ASP 41 -1.679 17.876 9.554 282 H SER 852 H SER 42 -1.996 15.219 12.517 283 HA SER 852 HA SER 42 -0.679 15.962 15.028 284 HB2 SER 852 HB2 SER 42 -3.131 15.845 14.901 285 HB3 SER 852 HB3 SER 42 -3.027 14.125 14.471 286 HG SER 852 HG SER 42 -3.397 14.470 16.738 287 H CYS 853 H CYS 43 -1.045 13.050 12.954 288 HA CYS 853 HA CYS 43 -0.015 11.213 14.881 289 HB2 CYS 853 HB2 CYS 43 -0.457 11.079 11.901 290 HB3 CYS 853 HB3 CYS 43 -0.061 9.713 12.912 291 H SER 854 H SER 44 1.487 13.292 12.525 292 HA SER 854 HA SER 44 4.010 11.995 12.147 293 HB2 SER 854 HB2 SER 44 4.724 14.169 11.435 294 HB3 SER 854 HB3 SER 44 3.057 13.947 10.919 295 HG SER 854 HG SER 44 3.479 16.023 11.946 296 H ASP 855 H ASP 45 2.629 13.563 14.945 297 HA ASP 855 HA ASP 45 5.177 13.865 16.344 298 HB2 ASP 855 HB2 ASP 45 3.183 15.438 16.613 299 HB3 ASP 855 HB3 ASP 45 2.372 14.126 17.470 300 H CYS 856 H CYS 46 3.185 11.261 15.604 301 HA CYS 856 HA CYS 46 3.382 9.814 18.113 302 HB2 CYS 856 HB2 CYS 46 1.465 9.543 16.421 303 HB3 CYS 856 HB3 CYS 46 2.626 8.680 15.398 304 HG CYS 856 HG CYS 46 1.094 6.948 16.722 305 H LEU 857 H LEU 47 4.766 8.203 18.521 306 HA LEU 857 HA LEU 47 7.166 7.878 16.768 307 HB2 LEU 857 HB2 LEU 47 7.421 8.649 19.131 308 HB3 LEU 857 HB3 LEU 47 6.840 7.070 19.663 309 HG LEU 857 HG LEU 47 8.867 6.530 17.723 310 HD11 LEU 857 HD11 LEU 47 9.621 8.867 18.009 311 HD12 LEU 857 HD12 LEU 47 10.814 7.726 18.618 312 HD13 LEU 857 HD13 LEU 47 9.780 8.598 19.763 313 HD21 LEU 857 HD21 LEU 47 10.069 5.593 19.682 314 HD22 LEU 857 HD22 LEU 47 8.364 5.116 19.613 315 HD23 LEU 857 HD23 LEU 47 8.899 6.372 20.761 316 H HIS 858 H HIS 48 5.396 6.756 15.448 317 HA HIS 858 HA HIS 48 4.701 4.035 16.334 318 HB2 HIS 858 HB2 HIS 48 3.012 5.434 15.156 319 HB3 HIS 858 HB3 HIS 48 4.077 5.558 13.754 320 HD2 HIS 858 HD2 HIS 48 3.707 3.769 11.898 321 HE1 HIS 858 HE1 HIS 48 1.604 0.816 14.145 322 HE2 HIS 858 HE2 HIS 48 2.436 1.459 11.830 323 H GLU 859 H GLU 49 5.322 2.108 15.193 324 HA GLU 859 HA GLU 49 7.589 2.305 13.352 325 HB2 GLU 859 HB2 GLU 49 7.768 0.605 15.896 326 HB3 GLU 859 HB3 GLU 49 9.035 0.914 14.763 327 HG2 GLU 859 HG2 GLU 49 9.093 3.308 15.491 328 HG3 GLU 859 HG3 GLU 49 7.801 2.938 16.634 329 H THR 860 H THR 50 8.130 0.375 12.227 330 HA THR 860 HA THR 50 6.287 -1.958 12.650 331 HB THR 860 HB THR 50 5.929 -2.292 10.360 332 HG1 THR 860 HG1 THR 50 6.872 -0.967 8.779 333 HG21 THR 860 HG21 THR 50 4.740 -0.324 9.607 334 HG22 THR 860 HG22 THR 50 5.564 0.708 10.808 335 HG23 THR 860 HG23 THR 50 4.460 -0.551 11.348 336 H ASP 861 H ASP 51 7.579 -3.388 10.460 337 HA ASP 861 HA ASP 51 9.909 -4.453 11.838 338 HB2 ASP 861 HB2 ASP 51 8.634 -5.118 9.219 339 HB3 ASP 861 HB3 ASP 51 9.974 -6.005 9.918 340 H ILE 862 H ILE 52 9.224 -2.214 9.291 341 HA ILE 862 HA ILE 52 12.086 -1.887 8.655 342 HB ILE 862 HB ILE 52 9.575 -0.892 7.256 343 HG12 ILE 862 HG12 ILE 52 10.257 -3.244 6.745 344 HG13 ILE 862 HG13 ILE 52 10.187 -2.172 5.377 345 HG21 ILE 862 HG21 ILE 52 11.279 0.055 5.614 346 HG22 ILE 862 HG22 ILE 52 12.471 -0.097 6.938 347 HG23 ILE 862 HG23 ILE 52 11.051 0.944 7.135 348 HD11 ILE 862 HD11 ILE 52 12.757 -2.992 6.776 349 HD12 ILE 862 HD12 ILE 52 12.621 -1.981 5.311 350 HD13 ILE 862 HD13 ILE 52 12.122 -3.677 5.264 351 H HIS 863 H HIS 53 9.119 -0.131 9.587 352 HA HIS 863 HA HIS 53 10.450 2.435 9.731 353 HB2 HIS 863 HB2 HIS 53 8.162 2.449 9.162 354 HB3 HIS 863 HB3 HIS 53 7.701 1.333 10.356 355 HD1 HIS 863 HD1 HIS 53 9.363 3.881 12.569 356 HD2 HIS 863 HD2 HIS 53 6.308 4.220 11.315 357 HE1 HIS 863 HE1 HIS 53 9.237 6.167 11.611 358 H LYS 864 H LYS 54 11.531 3.282 11.484 359 HA LYS 864 HA LYS 54 10.738 2.253 14.174 360 HB2 LYS 864 HB2 LYS 54 13.565 2.487 13.092 361 HB3 LYS 864 HB3 LYS 54 13.084 2.119 14.735 362 HG2 LYS 864 HG2 LYS 54 12.482 0.359 12.266 363 HG3 LYS 864 HG3 LYS 54 13.836 0.143 13.331 364 HD2 LYS 864 HD2 LYS 54 12.268 -0.323 15.246 365 HD3 LYS 864 HD3 LYS 54 10.944 -0.214 14.146 366 HE2 LYS 864 HE2 LYS 54 11.294 -2.467 14.098 367 HE3 LYS 864 HE3 LYS 54 12.157 -1.948 12.664 368 HZ1 LYS 864 HZ1 LYS 54 13.495 -3.500 13.991 369 HZ2 LYS 864 HZ2 LYS 54 13.421 -2.542 15.306 370 HZ3 LYS 864 HZ3 LYS 54 14.249 -2.054 13.978 371 H GLU 865 H GLU 55 11.632 3.417 15.993 372 HA GLU 865 HA GLU 55 11.383 6.248 15.954 373 HB2 GLU 865 HB2 GLU 55 12.108 6.070 18.244 374 HB3 GLU 865 HB3 GLU 55 11.079 4.694 17.850 375 HG2 GLU 865 HG2 GLU 55 13.180 3.310 17.548 376 HG3 GLU 865 HG3 GLU 55 14.129 4.706 18.061 377 H ASP 866 H ASP 56 13.932 4.427 14.729 378 HA ASP 866 HA ASP 56 16.242 6.013 15.391 379 HB2 ASP 866 HB2 ASP 56 15.670 3.933 13.319 380 HB3 ASP 866 HB3 ASP 56 17.240 4.679 13.524 381 H HIS 867 H HIS 57 13.579 6.307 13.062 382 HA HIS 867 HA HIS 57 15.051 8.371 11.594 383 HB2 HIS 867 HB2 HIS 57 13.597 7.590 9.724 384 HB3 HIS 867 HB3 HIS 57 14.954 6.576 10.160 385 HD1 HIS 867 HD1 HIS 57 14.122 4.459 9.103 386 HD2 HIS 867 HD2 HIS 57 11.301 6.560 11.330 387 HE1 HIS 867 HE1 HIS 57 11.866 4.131 7.975 388 H GLN 868 H GLN 58 13.244 9.439 10.225 389 HA GLN 868 HA GLN 58 11.146 10.556 11.881 390 HB2 GLN 868 HB2 GLN 58 12.030 12.839 11.955 391 HB3 GLN 868 HB3 GLN 58 13.034 11.717 12.839 392 HG2 GLN 868 HG2 GLN 58 13.655 12.703 10.018 393 HG3 GLN 868 HG3 GLN 58 14.267 13.453 11.482 394 HE21 GLN 868 HE21 GLN 58 15.330 11.461 9.083 395 HE22 GLN 868 HE22 GLN 58 16.403 10.450 10.035 396 H LEU 869 H LEU 59 10.170 12.559 10.736 397 HA LEU 869 HA LEU 59 9.483 11.606 8.006 398 HB2 LEU 869 HB2 LEU 59 7.851 13.381 9.829 399 HB3 LEU 869 HB3 LEU 59 7.324 12.462 8.418 400 HG LEU 869 HG LEU 59 6.330 11.463 10.195 401 HD11 LEU 869 HD11 LEU 59 7.213 9.207 10.349 402 HD12 LEU 869 HD12 LEU 59 8.778 9.736 9.720 403 HD13 LEU 869 HD13 LEU 59 7.309 9.838 8.695 404 HD21 LEU 869 HD21 LEU 59 7.184 10.786 12.272 405 HD22 LEU 869 HD22 LEU 59 7.689 12.461 12.035 406 HD23 LEU 869 HD23 LEU 59 8.855 11.128 11.826 407 H GLU 870 H GLU 60 8.665 13.071 6.445 408 HA GLU 870 HA GLU 60 9.865 15.802 6.356 409 HB2 GLU 870 HB2 GLU 60 10.653 14.090 4.626 410 HB3 GLU 870 HB3 GLU 60 9.010 13.920 4.142 411 HG2 GLU 870 HG2 GLU 60 9.847 15.263 2.542 412 HG3 GLU 870 HG3 GLU 60 9.015 16.422 3.565 413 HA PRO 871 HA PRO 61 5.412 16.838 6.172 414 HB2 PRO 871 HB2 PRO 61 5.556 19.543 6.435 415 HB3 PRO 871 HB3 PRO 61 5.830 18.439 7.808 416 HG2 PRO 871 HG2 PRO 61 7.895 19.842 6.105 417 HG3 PRO 871 HG3 PRO 61 7.874 19.623 7.880 418 HD2 PRO 871 HD2 PRO 61 9.296 18.026 6.093 419 HD3 PRO 871 HD3 PRO 61 8.761 17.476 7.700 420 H ILE 872 H ILE 62 4.100 17.330 4.403 421 HA ILE 872 HA ILE 62 5.372 18.662 2.048 422 HB ILE 872 HB ILE 62 3.313 16.529 1.788 423 HG12 ILE 872 HG12 ILE 62 5.190 15.410 2.997 424 HG13 ILE 872 HG13 ILE 62 4.878 14.749 1.418 425 HG21 ILE 872 HG21 ILE 62 4.162 16.398 -0.515 426 HG22 ILE 872 HG22 ILE 62 5.426 17.592 -0.131 427 HG23 ILE 872 HG23 ILE 62 3.735 18.066 -0.102 428 HD11 ILE 872 HD11 ILE 62 7.299 15.038 1.972 429 HD12 ILE 872 HD12 ILE 62 7.049 16.798 1.925 430 HD13 ILE 872 HD13 ILE 62 6.797 15.830 0.462 431 H TYR 873 H TYR 63 4.449 20.463 1.702 432 HA TYR 873 HA TYR 63 1.865 21.123 2.892 433 HB2 TYR 873 HB2 TYR 63 4.106 22.863 1.820 434 HB3 TYR 873 HB3 TYR 63 2.641 23.456 2.571 435 HD1 TYR 873 HD1 TYR 63 6.018 22.467 3.211 436 HD2 TYR 873 HD2 TYR 63 2.080 22.546 4.969 437 HE1 TYR 873 HE1 TYR 63 7.025 22.332 5.475 438 HE2 TYR 873 HE2 TYR 63 3.078 22.388 7.231 439 HH TYR 873 HH TYR 63 6.628 22.414 7.763 440 H ARG 874 H ARG 64 2.328 19.690 0.276 441 HA ARG 874 HA ARG 64 0.312 21.021 -1.366 442 HB2 ARG 874 HB2 ARG 64 1.823 21.182 -3.339 443 HB3 ARG 874 HB3 ARG 64 2.262 22.272 -2.020 444 HG2 ARG 874 HG2 ARG 64 4.050 20.681 -1.305 445 HG3 ARG 874 HG3 ARG 64 3.642 19.619 -2.654 446 HD2 ARG 874 HD2 ARG 64 4.418 22.525 -2.909 447 HD3 ARG 874 HD3 ARG 64 5.586 21.180 -2.985 448 HE ARG 874 HE ARG 64 3.629 20.591 -4.895 449 HH11 ARG 874 HH11 ARG 64 5.996 23.142 -4.493 450 HH12 ARG 874 HH12 ARG 64 6.105 23.435 -6.207 451 HH21 ARG 874 HH21 ARG 64 3.811 21.024 -7.065 452 HH22 ARG 874 HH22 ARG 64 4.903 22.259 -7.617 453 H1 ALA 1 H1 ALA 65 1.477 4.743 5.165 454 H2 ALA 1 H2 ALA 65 0.259 5.492 4.359 455 H3 ALA 1 H3 ALA 65 1.820 5.695 3.863 456 HA ALA 1 HA ALA 65 2.033 3.453 3.246 457 HB1 ALA 1 HB1 ALA 65 0.537 2.440 4.885 458 HB2 ALA 1 HB2 ALA 65 0.086 1.952 3.249 459 HB3 ALA 1 HB3 ALA 65 -0.874 3.188 4.097 460 H ARG 2 H ARG 66 2.274 3.686 1.166 461 HA ARG 2 HA ARG 66 0.712 5.328 -0.541 462 HB2 ARG 2 HB2 ARG 66 1.980 4.507 -2.332 463 HB3 ARG 2 HB3 ARG 66 3.061 4.580 -0.967 464 HG2 ARG 2 HG2 ARG 66 1.857 2.119 -2.293 465 HG3 ARG 2 HG3 ARG 66 3.542 2.593 -2.238 466 HD2 ARG 2 HD2 ARG 66 3.696 2.078 0.125 467 HD3 ARG 2 HD3 ARG 66 1.977 1.706 0.245 468 HE ARG 2 HE ARG 66 4.086 -0.002 -0.766 469 HH11 ARG 2 HH11 ARG 66 0.589 0.506 -0.972 470 HH12 ARG 2 HH12 ARG 66 0.311 -1.167 -1.385 471 HH21 ARG 2 HH21 ARG 66 3.638 -2.062 -1.317 472 HH22 ARG 2 HH22 ARG 66 1.997 -2.586 -1.579 473 H THR 3 H THR 67 -1.205 5.142 -1.305 474 HA THR 3 HA THR 67 -2.299 2.522 -2.251 475 HB THR 3 HB THR 67 -4.559 3.387 -1.762 476 HG1 THR 3 HG1 THR 67 -4.797 5.260 -0.583 477 HG21 THR 3 HG21 THR 67 -3.372 2.010 -0.032 478 HG22 THR 3 HG22 THR 67 -4.558 3.140 0.649 479 HG23 THR 3 HG23 THR 67 -2.824 3.516 0.743 480 HH31 ALY 4 H26 ALY 68 0.238 9.735 -11.112 481 HH32 ALY 4 H27 ALY 68 0.459 8.074 -10.512 482 HH33 ALY 4 H28 ALY 68 1.850 8.979 -11.148 483 HZ ALY 4 HZ1 ALY 68 -0.769 9.483 -8.792 484 HE3 ALY 4 HE3 ALY 68 0.974 10.940 -6.911 485 HE2 ALY 4 HE2 ALY 68 -0.770 10.722 -6.799 486 HD3 ALY 4 HD3 ALY 68 1.341 8.589 -6.240 487 HD2 ALY 4 HD2 ALY 68 0.401 9.479 -5.031 488 HG3 ALY 4 HG3 ALY 68 -1.695 8.486 -5.970 489 HG2 ALY 4 HG2 ALY 68 -0.709 7.547 -7.111 490 HB3 ALY 4 HB3 ALY 68 0.452 6.465 -5.181 491 HB2 ALY 4 HB2 ALY 68 -0.559 7.385 -4.065 492 HCA ALY 4 HA ALY 68 -2.587 6.287 -5.294 493 H ALY 4 H ALY 68 -0.880 5.249 -3.256 494 H GLN 5 H GLN 69 -2.610 5.976 -7.525 495 HA GLN 5 HA GLN 69 -0.726 4.149 -8.828 496 HB2 GLN 5 HB2 GLN 69 -2.411 2.717 -9.822 497 HB3 GLN 5 HB3 GLN 69 -2.470 2.604 -8.060 498 HG2 GLN 5 HG2 GLN 69 -4.451 4.129 -8.050 499 HG3 GLN 5 HG3 GLN 69 -4.395 4.206 -9.814 500 HE21 GLN 5 HE21 GLN 69 -6.773 3.435 -9.001 501 HE22 GLN 5 HE22 GLN 69 -6.971 1.690 -9.091 502 H THR 6 H THR 70 -0.809 4.247 -11.167 503 HA THR 6 HA THR 70 -1.482 6.897 -12.209 504 HB THR 6 HB THR 70 0.564 5.618 -12.869 505 HG1 THR 6 HG1 THR 70 0.027 7.260 -14.187 506 HG21 THR 6 HG21 THR 70 -0.473 3.359 -13.208 507 HG22 THR 6 HG22 THR 70 0.444 3.933 -14.612 508 HG23 THR 6 HG23 THR 70 -1.329 3.996 -14.630 509 H ALA 7 H ALA 71 -2.771 7.201 -14.205 510 HA ALA 7 HA ALA 71 -5.442 6.136 -13.897 511 HB1 ALA 7 HB1 ALA 71 -4.998 8.456 -14.599 512 HB2 ALA 7 HB2 ALA 71 -5.942 7.593 -15.827 513 HB3 ALA 7 HB3 ALA 71 -4.207 7.869 -16.081 514 H ARG 8 H ARG 72 -6.683 4.987 -15.437 515 HA ARG 8 HA ARG 72 -5.402 2.719 -16.704 516 HB2 ARG 8 HB2 ARG 72 -7.626 2.650 -15.607 517 HB3 ARG 8 HB3 ARG 72 -8.281 3.698 -16.879 518 HG2 ARG 8 HG2 ARG 72 -7.765 1.959 -18.577 519 HG3 ARG 8 HG3 ARG 72 -7.050 0.932 -17.316 520 HD2 ARG 8 HD2 ARG 72 -9.239 0.841 -16.162 521 HD3 ARG 8 HD3 ARG 72 -9.947 1.866 -17.432 522 HE ARG 8 HE ARG 72 -8.736 -0.403 -18.659 523 HH11 ARG 8 HH11 ARG 72 -9.928 -2.106 -19.425 524 HH12 ARG 8 HH12 ARG 72 -11.534 -2.392 -18.823 525 HH21 ARG 8 HH21 ARG 72 -11.537 0.274 -16.662 526 HH22 ARG 8 HH22 ARG 72 -12.430 -1.076 -17.301
Contact the webmaster for help, if required. Friday, June 7, 2024 5:31:14 PM GMT (wattos1)